data_nef_c19789_2mkp save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MKP 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 71 THR O 3 1 CA CA 1 76 GLU OE2 3 1 CA CA 1 67 ASP OD1 3 1 CA CA 1 67 ASP OD2 3 1 CA CA 1 76 GLU OE1 3 1 CA CA 1 69 SER OG 3 1 CA CA 1 65 ASP OD2 3 1 CA CA 1 65 ASP OD1 3 1 CA CA 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 C 1 MET start . . 2 C 2 ASP middle . . 3 C 3 ASP middle . . 4 C 4 ILE middle . . 5 C 5 TYR middle . . 6 C 6 LYS middle . . 7 C 7 ALA middle . . 8 C 8 ALA middle . . 9 C 9 VAL middle . . 10 C 10 GLU middle . . 11 C 11 GLN middle . . 12 C 12 LEU middle . . 13 C 13 THR middle . . 14 C 14 GLU middle . . 15 C 15 GLU middle . . 16 C 16 GLN middle . . 17 C 17 LYS middle . . 18 C 18 ASN middle . . 19 C 19 GLU middle . . 20 C 20 PHE middle . . 21 C 21 LYS middle . . 22 C 22 ALA middle . . 23 C 23 ALA middle . . 24 C 24 PHE middle . . 25 C 25 ASP middle . . 26 C 26 ILE middle . . 27 C 27 PHE middle . . 28 C 28 VAL middle . . 29 C 29 LEU middle . . 30 C 30 GLY middle . false 31 C 31 ALA middle . . 32 C 32 GLU middle . . 33 C 33 ASP middle . . 34 C 34 GLY middle . false 35 C 35 CYS middle . . 36 C 36 ILE middle . . 37 C 37 SER middle . . 38 C 38 THR middle . . 39 C 39 LYS middle . . 40 C 40 GLU middle . . 41 C 41 LEU middle . . 42 C 42 GLY middle . false 43 C 43 LYS middle . . 44 C 44 VAL middle . . 45 C 45 MET middle . . 46 C 46 ARG middle . . 47 C 47 MET middle . . 48 C 48 LEU middle . . 49 C 49 GLY middle . false 50 C 50 GLN middle . . 51 C 51 ASN middle . . 52 C 52 PRO middle . false 53 C 53 THR middle . . 54 C 54 PRO middle . false 55 C 55 GLU middle . . 56 C 56 GLU middle . . 57 C 57 LEU middle . . 58 C 58 GLN middle . . 59 C 59 GLU middle . . 60 C 60 MET middle . . 61 C 61 ILE middle . . 62 C 62 ASP middle . . 63 C 63 GLU middle . . 64 C 64 VAL middle . . 65 C 65 ASP middle . . 66 C 66 GLU middle . . 67 C 67 ASP middle . . 68 C 68 GLY middle . false 69 C 69 SER middle . . 70 C 70 GLY middle . false 71 C 71 THR middle . . 72 C 72 VAL middle . . 73 C 73 ASP middle . . 74 C 74 PHE middle . . 75 C 75 ASP middle . . 76 C 76 GLU middle . . 77 C 77 PHE middle . . 78 C 78 LEU middle . . 79 C 79 VAL middle . . 80 C 80 MET middle . . 81 C 81 MET middle . . 82 C 82 VAL middle . . 83 C 83 ARG middle . . 84 C 84 CYS middle . . 85 C 85 MET middle . . 86 C 86 LYS middle . . 87 C 87 ASP middle . . 88 C 88 ASP middle . . 89 C 89 SER end . . 90 I 115 ARG start . . 91 I 116 MET middle . . 92 I 117 SER middle . . 93 I 118 ALA middle . . 94 I 119 ASP middle . . 95 I 120 ALA middle . . 96 I 121 MET middle . . 97 I 122 LEU middle . . 98 I 123 LYS middle . . 99 I 124 ALA middle . . 100 I 125 LEU middle . . 101 I 126 LEU middle . . 102 I 127 GLY middle . false 103 I 128 SER middle . . 104 I 129 LYS middle . . 105 I 130 HIS middle . . 106 I 131 LYS end . . 107 A 1 CA . . . 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 C 1 MET HE% H 1 2.072 0.05 C 1 MET CE C 13 16.826 0.30 C 3 ASP H H 1 8.538 0.05 C 3 ASP HA H 1 4.466 0.05 C 3 ASP HB2 H 1 2.689 0.05 C 3 ASP N N 15 122.928 0.50 C 4 ILE H H 1 8.236 0.05 C 4 ILE HA H 1 3.911 0.05 C 4 ILE HB H 1 1.656 0.05 C 4 ILE HD1% H 1 0.686 0.05 C 4 ILE HG1x H 1 0.934 0.05 C 4 ILE HG2% H 1 0.568 0.05 C 4 ILE CA C 13 63.825 0.30 C 4 ILE CB C 13 37.641 0.30 C 4 ILE CD1 C 13 13.371 0.30 C 4 ILE CG1 C 13 27.015 0.30 C 4 ILE CG2 C 13 17.092 0.30 C 4 ILE N N 15 119.305 0.50 C 5 TYR H H 1 7.618 0.05 C 5 TYR N N 15 120.903 0.50 C 6 LYS H H 1 7.894 0.05 C 6 LYS N N 15 120.946 0.50 C 7 ALA H H 1 7.934 0.05 C 7 ALA HB% H 1 1.401 0.05 C 7 ALA CB C 13 18.003 0.30 C 7 ALA N N 15 120.284 0.50 C 8 ALA H H 1 7.501 0.05 C 8 ALA HB% H 1 1.551 0.05 C 8 ALA CB C 13 18.400 0.30 C 8 ALA N N 15 119.988 0.50 C 9 VAL H H 1 8.077 0.05 C 9 VAL HA H 1 3.560 0.05 C 9 VAL HB H 1 2.207 0.05 C 9 VAL HGx% H 1 0.919 0.05 C 9 VAL HGy% H 1 0.977 0.05 C 9 VAL CA C 13 66.376 0.30 C 9 VAL CB C 13 31.756 0.30 C 9 VAL CGx C 13 22.002 0.30 C 9 VAL CGy C 13 23.388 0.30 C 9 VAL N N 15 119.175 0.50 C 10 GLU H H 1 7.802 0.05 C 10 GLU HA H 1 4.117 0.05 C 10 GLU HGy H 1 2.477 0.05 C 10 GLU HGx H 1 2.326 0.05 C 10 GLU N N 15 118.387 0.50 C 11 GLN H H 1 7.377 0.05 C 11 GLN N N 15 114.922 0.50 C 12 LEU H H 1 7.388 0.05 C 12 LEU HA H 1 4.519 0.05 C 12 LEU HBy H 1 1.966 0.05 C 12 LEU HBx H 1 1.445 0.05 C 12 LEU HDx% H 1 0.897 0.05 C 12 LEU HDy% H 1 0.927 0.05 C 12 LEU CA C 13 55.203 0.30 C 12 LEU CB C 13 43.094 0.30 C 12 LEU CDx C 13 23.093 0.30 C 12 LEU CDy C 13 27.342 0.30 C 12 LEU N N 15 120.676 0.50 C 13 THR H H 1 8.875 0.05 C 13 THR HA H 1 4.438 0.05 C 13 THR HB H 1 4.831 0.05 C 13 THR HG2% H 1 1.393 0.05 C 13 THR CA C 13 60.944 0.30 C 13 THR CG2 C 13 22.070 0.30 C 13 THR N N 15 113.723 0.50 C 14 GLU H H 1 9.003 0.05 C 14 GLU HGx H 1 2.372 0.05 C 14 GLU N N 15 121.739 0.50 C 15 GLU H H 1 8.538 0.05 C 15 GLU HA H 1 4.078 0.05 C 15 GLU HGx H 1 2.330 0.05 C 15 GLU N N 15 117.808 0.50 C 16 GLN H H 1 7.875 0.05 C 16 GLN HA H 1 3.907 0.05 C 16 GLN CA C 13 59.022 0.30 C 16 GLN CG C 13 34.915 0.30 C 16 GLN N N 15 119.080 0.50 C 17 LYS H H 1 8.650 0.05 C 17 LYS N N 15 118.934 0.50 C 18 ASN HA H 1 4.557 0.05 C 18 ASN HBy H 1 3.021 0.05 C 18 ASN HBx H 1 2.823 0.05 C 18 ASN CA C 13 56.041 0.30 C 18 ASN CB C 13 37.848 0.30 C 19 GLU H H 1 8.131 0.05 C 19 GLU HA H 1 4.182 0.05 C 19 GLU HBx H 1 2.061 0.05 C 19 GLU HGy H 1 2.542 0.05 C 19 GLU HGx H 1 2.186 0.05 C 19 GLU CA C 13 60.157 0.30 C 19 GLU CB C 13 29.385 0.30 C 19 GLU CG C 13 36.692 0.30 C 19 GLU N N 15 123.449 0.50 C 20 PHE H H 1 8.645 0.05 C 20 PHE N N 15 117.873 0.50 C 21 LYS H H 1 8.781 0.05 C 21 LYS N N 15 122.555 0.50 C 22 ALA H H 1 7.844 0.05 C 22 ALA HB% H 1 1.581 0.05 C 22 ALA CB C 13 17.683 0.30 C 22 ALA N N 15 121.657 0.50 C 23 ALA H H 1 8.141 0.05 C 23 ALA HB% H 1 1.781 0.05 C 23 ALA CB C 13 18.439 0.30 C 23 ALA N N 15 119.044 0.50 C 24 PHE H H 1 8.942 0.05 C 24 PHE N N 15 121.051 0.50 C 25 ASP H H 1 8.546 0.05 C 25 ASP N N 15 116.425 0.50 C 26 ILE H H 1 7.314 0.05 C 26 ILE HA H 1 3.733 0.05 C 26 ILE HB H 1 1.937 0.05 C 26 ILE HD1% H 1 0.816 0.05 C 26 ILE HG1x H 1 1.111 0.05 C 26 ILE HG2% H 1 0.717 0.05 C 26 ILE CB C 13 37.861 0.30 C 26 ILE CD1 C 13 13.543 0.30 C 26 ILE CG1 C 13 28.780 0.30 C 26 ILE CG2 C 13 17.368 0.30 C 26 ILE N N 15 119.584 0.50 C 27 PHE H H 1 8.103 0.05 C 27 PHE N N 15 120.837 0.50 C 28 VAL H H 1 7.555 0.05 C 28 VAL HA H 1 3.999 0.05 C 28 VAL HB H 1 1.885 0.05 C 28 VAL HGx% H 1 0.107 0.05 C 28 VAL HGy% H 1 0.601 0.05 C 28 VAL CA C 13 61.754 0.30 C 28 VAL CB C 13 31.509 0.30 C 28 VAL CGy C 13 21.369 0.30 C 28 VAL CGx C 13 19.195 0.30 C 28 VAL N N 15 107.855 0.50 C 29 LEU H H 1 7.229 0.05 C 29 LEU HBy H 1 1.775 0.05 C 29 LEU HBx H 1 1.592 0.05 C 29 LEU HDx% H 1 0.883 0.05 C 29 LEU HDy% H 1 0.941 0.05 C 29 LEU CB C 13 41.403 0.30 C 29 LEU CDx C 13 24.213 0.30 C 29 LEU CDy C 13 24.849 0.30 C 29 LEU CG C 13 26.644 0.30 C 29 LEU N N 15 125.187 0.50 C 30 GLY H H 1 8.799 0.05 C 30 GLY N N 15 111.816 0.50 C 31 ALA H H 1 7.946 0.05 C 31 ALA HB% H 1 1.496 0.05 C 31 ALA CB C 13 19.773 0.30 C 31 ALA N N 15 124.151 0.50 C 32 GLU H H 1 9.102 0.05 C 32 GLU HA H 1 4.085 0.05 C 32 GLU HB2 H 1 2.051 0.05 C 32 GLU HGx H 1 2.342 0.05 C 32 GLU N N 15 124.621 0.50 C 33 ASP H H 1 8.199 0.05 C 33 ASP HA H 1 4.734 0.05 C 33 ASP HB2 H 1 2.638 0.05 C 33 ASP N N 15 115.935 0.50 C 34 GLY H H 1 7.653 0.05 C 34 GLY N N 15 105.713 0.50 C 35 CYS H H 1 7.621 0.05 C 35 CYS N N 15 113.447 0.50 C 36 ILE H H 1 8.793 0.05 C 36 ILE HA H 1 3.866 0.05 C 36 ILE HD1% H 1 0.329 0.05 C 36 ILE HG2% H 1 0.832 0.05 C 36 ILE CB C 13 39.464 0.30 C 36 ILE CD1 C 13 14.833 0.30 C 36 ILE CG2 C 13 17.886 0.30 C 36 ILE N N 15 119.384 0.50 C 37 SER H H 1 9.421 0.05 C 37 SER N N 15 125.951 0.50 C 38 THR H H 1 8.816 0.05 C 38 THR HA H 1 3.726 0.05 C 38 THR HB H 1 4.236 0.05 C 38 THR HG2% H 1 1.276 0.05 C 38 THR CA C 13 66.708 0.30 C 38 THR CG2 C 13 22.870 0.30 C 38 THR N N 15 112.286 0.50 C 39 LYS H H 1 8.016 0.05 C 39 LYS N N 15 122.672 0.50 C 40 GLU H H 1 7.705 0.05 C 40 GLU HA H 1 4.184 0.05 C 40 GLU HGy H 1 2.584 0.05 C 40 GLU HGx H 1 2.306 0.05 C 40 GLU N N 15 119.098 0.50 C 41 LEU H H 1 8.356 0.05 C 41 LEU HA H 1 4.110 0.05 C 41 LEU HBy H 1 1.686 0.05 C 41 LEU HBx H 1 1.402 0.05 C 41 LEU HDx% H 1 0.907 0.05 C 41 LEU HDy% H 1 0.939 0.05 C 41 LEU CA C 13 57.688 0.30 C 41 LEU CB C 13 42.510 0.30 C 41 LEU CDy C 13 26.581 0.30 C 41 LEU CDx C 13 23.611 0.30 C 41 LEU N N 15 119.205 0.50 C 42 GLY H H 1 8.422 0.05 C 42 GLY N N 15 105.741 0.50 C 43 LYS H H 1 7.265 0.05 C 43 LYS N N 15 120.666 0.50 C 44 VAL H H 1 7.488 0.05 C 44 VAL HA H 1 3.456 0.05 C 44 VAL HGx% H 1 0.332 0.05 C 44 VAL HGy% H 1 0.606 0.05 C 44 VAL CA C 13 66.387 0.30 C 44 VAL CB C 13 31.636 0.30 C 44 VAL CGy C 13 22.081 0.30 C 44 VAL CGx C 13 20.906 0.30 C 44 VAL N N 15 119.328 0.50 C 45 MET H H 1 8.357 0.05 C 45 MET HA H 1 4.171 0.05 C 45 MET HE% H 1 1.884 0.05 C 45 MET HG2 H 1 2.531 0.05 C 45 MET CE C 13 17.450 0.30 C 45 MET N N 15 116.122 0.50 C 46 ARG H H 1 8.115 0.05 C 46 ARG N N 15 118.799 0.50 C 47 MET H H 1 7.866 0.05 C 47 MET HA H 1 4.233 0.05 C 47 MET HE% H 1 2.123 0.05 C 47 MET HGx H 1 2.680 0.05 C 47 MET HGy H 1 2.842 0.05 C 47 MET CE C 13 17.023 0.30 C 47 MET N N 15 122.183 0.50 C 48 LEU H H 1 7.499 0.05 C 48 LEU HA H 1 4.357 0.05 C 48 LEU HBx H 1 1.836 0.05 C 48 LEU HBy H 1 1.942 0.05 C 48 LEU HDx% H 1 0.859 0.05 C 48 LEU HDy% H 1 0.840 0.05 C 48 LEU CA C 13 54.678 0.30 C 48 LEU CB C 13 41.627 0.30 C 48 LEU CDy C 13 25.841 0.30 C 48 LEU CDx C 13 23.208 0.30 C 48 LEU N N 15 117.213 0.50 C 49 GLY H H 1 7.841 0.05 C 49 GLY N N 15 107.154 0.50 C 50 GLN H H 1 8.014 0.05 C 50 GLN N N 15 118.411 0.50 C 51 ASN H H 1 8.716 0.05 C 51 ASN N N 15 116.615 0.50 C 53 THR H H 1 8.801 0.05 C 53 THR N N 15 113.821 0.50 C 55 GLU H H 1 8.751 0.05 C 55 GLU HA H 1 4.022 0.05 C 55 GLU HGy H 1 2.480 0.05 C 55 GLU HGx H 1 2.263 0.05 C 55 GLU N N 15 117.313 0.50 C 56 GLU H H 1 7.803 0.05 C 56 GLU HA H 1 3.998 0.05 C 56 GLU HB2 H 1 1.896 0.05 C 56 GLU HGx H 1 2.338 0.05 C 56 GLU N N 15 121.618 0.50 C 57 LEU H H 1 8.179 0.05 C 57 LEU HA H 1 4.048 0.05 C 57 LEU HBy H 1 2.042 0.05 C 57 LEU HBx H 1 1.225 0.05 C 57 LEU HDx% H 1 0.752 0.05 C 57 LEU HDy% H 1 0.869 0.05 C 57 LEU CA C 13 57.847 0.30 C 57 LEU CB C 13 42.643 0.30 C 57 LEU CDx C 13 23.840 0.30 C 57 LEU CDy C 13 25.756 0.30 C 57 LEU N N 15 119.131 0.50 C 58 GLN H H 1 7.945 0.05 C 58 GLN N N 15 117.777 0.50 C 59 GLU H H 1 7.887 0.05 C 59 GLU HA H 1 4.047 0.05 C 59 GLU HGy H 1 2.461 0.05 C 59 GLU HGx H 1 2.295 0.05 C 59 GLU N N 15 119.087 0.50 C 60 MET H H 1 7.702 0.05 C 60 MET HA H 1 3.921 0.05 C 60 MET HE% H 1 2.032 0.05 C 60 MET HGy H 1 2.802 0.05 C 60 MET HGx H 1 2.485 0.05 C 60 MET CE C 13 17.335 0.30 C 60 MET N N 15 117.618 0.50 C 61 ILE H H 1 7.358 0.05 C 61 ILE HA H 1 3.347 0.05 C 61 ILE HB H 1 1.935 0.05 C 61 ILE HD1% H 1 0.682 0.05 C 61 ILE HG1y H 1 1.664 0.05 C 61 ILE HG1x H 1 0.895 0.05 C 61 ILE HG2% H 1 0.659 0.05 C 61 ILE CA C 13 64.857 0.30 C 61 ILE CB C 13 37.414 0.30 C 61 ILE CD1 C 13 13.017 0.30 C 61 ILE CG1 C 13 29.060 0.30 C 61 ILE CG2 C 13 15.566 0.30 C 61 ILE N N 15 118.070 0.50 C 62 ASP H H 1 8.683 0.05 C 62 ASP N N 15 119.384 0.50 C 63 GLU H H 1 7.612 0.05 C 63 GLU HA H 1 4.030 0.05 C 63 GLU HB2 H 1 1.946 0.05 C 63 GLU HGy H 1 2.493 0.05 C 63 GLU HGx H 1 2.303 0.05 C 63 GLU N N 15 115.866 0.50 C 64 VAL H H 1 7.239 0.05 C 64 VAL HA H 1 4.545 0.05 C 64 VAL HB H 1 2.483 0.05 C 64 VAL HGx% H 1 0.747 0.05 C 64 VAL HGy% H 1 0.885 0.05 C 64 VAL CA C 13 61.051 0.30 C 64 VAL CB C 13 32.382 0.30 C 64 VAL CGy C 13 21.552 0.30 C 64 VAL CGx C 13 19.735 0.30 C 64 VAL N N 15 107.501 0.50 C 65 ASP H H 1 7.584 0.05 C 65 ASP N N 15 121.745 0.50 C 66 GLU H H 1 8.633 0.05 C 66 GLU HA H 1 4.186 0.05 C 66 GLU HGx H 1 2.400 0.05 C 66 GLU N N 15 128.227 0.50 C 67 ASP H H 1 7.967 0.05 C 67 ASP N N 15 114.509 0.50 C 68 GLY H H 1 7.765 0.05 C 68 GLY N N 15 108.897 0.50 C 69 SER H H 1 8.452 0.05 C 69 SER N N 15 116.480 0.50 C 70 GLY H H 1 10.847 0.05 C 70 GLY N N 15 116.525 0.50 C 71 THR H H 1 7.664 0.05 C 71 THR HA H 1 4.914 0.05 C 71 THR HB H 1 3.911 0.05 C 71 THR HG2% H 1 1.059 0.05 C 71 THR CA C 13 58.346 0.30 C 71 THR CB C 13 73.760 0.30 C 71 THR CG2 C 13 22.403 0.30 C 71 THR N N 15 107.688 0.50 C 72 VAL H H 1 9.792 0.05 C 72 VAL HA H 1 5.085 0.05 C 72 VAL HB H 1 2.195 0.05 C 72 VAL HGx% H 1 0.885 0.05 C 72 VAL HGy% H 1 1.213 0.05 C 72 VAL CB C 13 33.580 0.30 C 72 VAL CGy C 13 23.203 0.30 C 72 VAL CGx C 13 21.773 0.30 C 72 VAL N N 15 126.813 0.50 C 73 ASP H H 1 8.746 0.05 C 73 ASP N N 15 128.665 0.50 C 74 PHE H H 1 8.577 0.05 C 74 PHE N N 15 118.267 0.50 C 75 ASP H H 1 7.654 0.05 C 75 ASP N N 15 117.261 0.50 C 76 GLU H H 1 8.169 0.05 C 76 GLU HA H 1 4.027 0.05 C 76 GLU HGy H 1 2.852 0.05 C 76 GLU HGx H 1 2.548 0.05 C 76 GLU N N 15 120.396 0.50 C 77 PHE H H 1 8.984 0.05 C 77 PHE N N 15 122.823 0.50 C 78 LEU H H 1 7.950 0.05 C 78 LEU HA H 1 3.287 0.05 C 78 LEU HBy H 1 1.731 0.05 C 78 LEU HBx H 1 1.048 0.05 C 78 LEU HDx% H 1 0.579 0.05 C 78 LEU HDy% H 1 0.591 0.05 C 78 LEU CA C 13 58.115 0.30 C 78 LEU CB C 13 41.353 0.30 C 78 LEU CDy C 13 25.801 0.30 C 78 LEU CDx C 13 23.766 0.30 C 78 LEU N N 15 118.595 0.50 C 79 VAL H H 1 6.947 0.05 C 79 VAL HA H 1 3.248 0.05 C 79 VAL HGx% H 1 0.667 0.05 C 79 VAL HGy% H 1 0.993 0.05 C 79 VAL CA C 13 66.900 0.30 C 79 VAL CB C 13 30.899 0.30 C 79 VAL CGx C 13 21.818 0.30 C 79 VAL CGy C 13 23.334 0.30 C 79 VAL N N 15 118.101 0.50 C 80 MET H H 1 7.952 0.05 C 80 MET HE% H 1 1.864 0.05 C 80 MET CE C 13 17.502 0.30 C 80 MET N N 15 119.853 0.50 C 81 MET H H 1 8.110 0.05 C 81 MET HE% H 1 1.459 0.05 C 81 MET CE C 13 19.068 0.30 C 81 MET N N 15 117.448 0.50 C 82 VAL H H 1 8.183 0.05 C 82 VAL HA H 1 3.962 0.05 C 82 VAL HB H 1 2.210 0.05 C 82 VAL HGx% H 1 0.966 0.05 C 82 VAL HGy% H 1 1.097 0.05 C 82 VAL CA C 13 66.067 0.30 C 82 VAL CB C 13 31.142 0.30 C 82 VAL CGx C 13 21.731 0.30 C 82 VAL CGy C 13 21.821 0.30 C 82 VAL N N 15 117.627 0.50 C 83 ARG H H 1 8.169 0.05 C 83 ARG N N 15 120.495 0.50 C 84 CYS H H 1 7.507 0.05 C 84 CYS N N 15 113.519 0.50 C 85 MET H H 1 7.661 0.05 C 85 MET HE% H 1 2.089 0.05 C 85 MET CE C 13 17.025 0.30 C 85 MET N N 15 120.618 0.50 C 86 LYS H H 1 7.779 0.05 C 86 LYS N N 15 120.147 0.50 C 89 SER H H 1 7.913 0.05 C 89 SER N N 15 121.243 0.50 stop_ save_ save_assigned_chem_shift_list_2 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_2 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 I 115 ARG H1 H 1 8.260 0.05 I 115 ARG HA H 1 4.283 0.05 I 115 ARG HB2 H 1 1.812 0.05 I 115 ARG HD2 H 1 3.197 0.05 I 115 ARG HGx H 1 1.634 0.05 I 115 ARG HGy H 1 1.740 0.05 I 116 MET H H 1 8.461 0.05 I 116 MET HA H 1 4.512 0.05 I 116 MET HBx H 1 2.001 0.05 I 116 MET HBy H 1 2.082 0.05 I 116 MET HE% H 1 2.068 0.05 I 116 MET HGy H 1 2.579 0.05 I 116 MET HGx H 1 2.520 0.05 I 117 SER H H 1 8.314 0.05 I 117 SER HA H 1 4.498 0.05 I 117 SER HBy H 1 4.104 0.05 I 117 SER HBx H 1 3.938 0.05 I 118 ALA H H 1 8.613 0.05 I 118 ALA HA H 1 4.192 0.05 I 118 ALA HB% H 1 1.466 0.05 I 119 ASP H H 1 8.341 0.05 I 119 ASP HA H 1 4.399 0.05 I 119 ASP HB2 H 1 2.650 0.05 I 120 ALA H H 1 7.914 0.05 I 120 ALA HA H 1 4.114 0.05 I 120 ALA HB% H 1 1.494 0.05 I 121 MET H H 1 8.230 0.05 I 121 MET HA H 1 4.201 0.05 I 121 MET HB2 H 1 2.167 0.05 I 121 MET HE% H 1 2.129 0.05 I 121 MET HGx H 1 2.517 0.05 I 121 MET HGy H 1 2.695 0.05 I 122 LEU H H 1 8.123 0.05 I 122 LEU HA H 1 4.266 0.05 I 122 LEU HB2 H 1 1.694 0.05 I 122 LEU HDx% H 1 0.897 0.05 I 122 LEU HDy% H 1 0.813 0.05 I 122 LEU HG H 1 1.457 0.05 I 123 LYS H H 1 7.966 0.05 I 123 LYS HA H 1 4.035 0.05 I 123 LYS HBx H 1 1.685 0.05 I 123 LYS HBy H 1 1.832 0.05 I 123 LYS HD2 H 1 1.418 0.05 I 123 LYS HE2 H 1 2.986 0.05 I 123 LYS HG2 H 1 1.531 0.05 I 124 ALA H H 1 7.847 0.05 I 124 ALA HA H 1 4.203 0.05 I 124 ALA HB% H 1 1.464 0.05 I 125 LEU H H 1 7.991 0.05 I 125 LEU HA H 1 4.260 0.05 I 125 LEU HB2 H 1 1.779 0.05 I 125 LEU HDx% H 1 0.921 0.05 I 125 LEU HDy% H 1 0.858 0.05 I 125 LEU HG H 1 1.620 0.05 I 126 LEU H H 1 8.128 0.05 I 126 LEU HA H 1 4.308 0.05 I 126 LEU HBx H 1 1.702 0.05 I 126 LEU HBy H 1 1.742 0.05 I 126 LEU HDx% H 1 0.927 0.05 I 126 LEU HDy% H 1 0.849 0.05 I 126 LEU HG H 1 1.541 0.05 I 127 GLY H H 1 8.074 0.05 I 127 GLY HA2 H 1 3.998 0.05 I 130 HIS H H 1 8.211 0.05 I 130 HIS HA H 1 4.645 0.05 I 130 HIS HBx H 1 3.060 0.05 I 130 HIS HBy H 1 3.232 0.05 I 130 HIS HD1 H 1 7.140 0.05 I 130 HIS HE1 H 1 8.287 0.05 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 undefined _nef_distance_restraint_list.potential_type . save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 I 118 ALA HB% I 118 ALA H 1.0 1.8 2.8 2 2 I 116 MET H I 116 MET HBx 1.0 1.8 5.0 3 2 I 116 MET H I 116 MET HBy 1.0 1.8 5.0 4 3 I 116 MET H I 116 MET HBx 1.0 1.8 5.0 5 3 I 116 MET H I 116 MET HBy 1.0 1.8 5.0 6 4 I 119 ASP H I 119 ASP HB2 1.0 1.8 2.8 7 4 I 119 ASP H I 119 ASP HBy 1.0 1.8 2.8 8 5 I 121 MET H I 121 MET HGx 1.0 1.8 5.0 9 5 I 121 MET H I 121 MET HGy 1.0 1.8 5.0 10 6 I 118 ALA HB% I 119 ASP H 1.0 1.8 2.8 11 7 I 117 SER H I 120 ALA HB% 1.0 1.8 3.4 12 8 I 115 ARG H1 I 115 ARG HB2 1.0 1.8 5.0 13 8 I 115 ARG H1 I 115 ARG HBy 1.0 1.8 5.0 14 9 I 115 ARG H1 I 115 ARG HGx 1.0 1.8 3.4 15 9 I 115 ARG H1 I 115 ARG HGy 1.0 1.8 3.4 16 10 I 115 ARG H1 I 115 ARG HGx 1.0 1.8 5.0 17 10 I 115 ARG H1 I 115 ARG HGy 1.0 1.8 5.0 18 11 I 121 MET H I 121 MET HB2 1.0 1.8 2.8 19 11 I 121 MET HBy I 121 MET H 1.0 1.8 2.8 20 12 I 121 MET H I 120 ALA HB% 1.0 1.8 2.8 21 13 I 126 LEU H I 125 LEU HB2 1.0 1.8 2.8 22 13 I 125 LEU HBy I 126 LEU H 1.0 1.8 2.8 23 14 I 126 LEU H I 126 LEU HBx 1.0 1.8 3.4 24 14 I 126 LEU H I 126 LEU HBy 1.0 1.8 3.4 25 15 I 122 LEU H I 122 LEU HB2 1.0 1.8 3.4 26 15 I 122 LEU H I 122 LEU HBy 1.0 1.8 3.4 27 16 I 125 LEU H I 125 LEU HB2 1.0 1.8 2.8 28 16 I 125 LEU HBy I 125 LEU H 1.0 1.8 2.8 29 17 I 124 ALA HB% I 125 LEU H 1.0 1.8 2.8 30 18 I 125 LEU HG I 125 LEU H 1.0 1.8 5.0 31 19 I 123 LYS H I 123 LYS HBx 1.0 1.8 2.8 32 19 I 123 LYS H I 123 LYS HBy 1.0 1.8 2.8 33 20 I 123 LYS H I 123 LYS HBx 1.0 1.8 2.8 34 20 I 123 LYS H I 123 LYS HBy 1.0 1.8 2.8 35 21 I 123 LYS H I 123 LYS HG2 1.0 1.8 3.4 36 21 I 123 LYS H I 123 LYS HGy 1.0 1.8 3.4 37 22 I 126 LEU H I 126 LEU HDx% 1.0 1.8 5.0 38 22 I 126 LEU HDy% I 126 LEU H 1.0 1.8 5.0 39 23 I 126 LEU H I 126 LEU HDx% 1.0 1.8 5.0 40 23 I 126 LEU HDy% I 126 LEU H 1.0 1.8 5.0 41 24 I 125 LEU H I 125 LEU HDx% 1.0 1.8 5.0 42 24 I 125 LEU HDy% I 125 LEU H 1.0 1.8 5.0 43 25 I 125 LEU H I 125 LEU HDx% 1.0 1.8 5.0 44 25 I 125 LEU HDy% I 125 LEU H 1.0 1.8 5.0 45 26 I 120 ALA H I 119 ASP HB2 1.0 1.8 3.4 46 26 I 119 ASP HBy I 120 ALA H 1.0 1.8 3.4 47 27 I 120 ALA HB% I 120 ALA H 1.0 1.8 2.8 48 28 I 124 ALA H I 123 LYS HBx 1.0 1.8 2.8 49 28 I 123 LYS HBy I 124 ALA H 1.0 1.8 2.8 50 29 I 124 ALA HB% I 124 ALA H 1.0 1.8 2.8 51 30 I 117 SER H I 117 SER HA 1.0 1.8 2.8 52 31 I 118 ALA H I 118 ALA HA 1.0 1.8 3.4 53 32 I 118 ALA H I 117 SER HBy 1.0 1.8 5.0 54 32 I 118 ALA H I 117 SER HBx 1.0 1.8 5.0 55 33 I 124 ALA HA I 124 ALA H 1.0 1.8 2.8 56 34 I 124 ALA H I 123 LYS HA 1.0 1.8 3.4 57 35 I 117 SER H I 117 SER HBy 1.0 1.8 3.4 58 35 I 117 SER H I 117 SER HBx 1.0 1.8 3.4 59 36 I 119 ASP H I 119 ASP HA 1.0 1.8 2.8 60 37 I 120 ALA H I 119 ASP HA 1.0 1.8 5.0 61 38 I 120 ALA H I 120 ALA HA 1.0 1.8 2.8 62 39 I 118 ALA H I 117 SER HA 1.0 1.8 2.8 63 40 I 116 MET H I 116 MET HA 1.0 1.8 3.4 64 41 I 116 MET H I 115 ARG HA 1.0 1.8 2.8 65 42 I 121 MET HA I 121 MET H 1.0 1.8 3.4 66 43 I 121 MET H I 120 ALA HA 1.0 1.8 3.4 67 44 I 123 LYS H I 120 ALA HA 1.0 1.8 2.8 68 45 I 123 LYS H I 123 LYS HA 1.0 1.8 2.8 69 46 I 124 ALA H I 120 ALA HA 1.0 1.8 5.0 70 47 I 130 HIS HD2 I 123 LYS HBx 1.0 1.8 5.0 71 47 I 123 LYS HBy I 130 HIS HD2 1.0 1.8 5.0 72 48 I 130 HIS HD2 I 123 LYS HBx 1.0 1.8 5.0 73 48 I 123 LYS HBy I 130 HIS HD2 1.0 1.8 5.0 74 49 I 130 HIS HD2 I 123 LYS HG2 1.0 1.8 5.0 75 49 I 123 LYS HGy I 130 HIS HD2 1.0 1.8 5.0 76 50 I 130 HIS HD2 I 123 LYS HD2 1.0 1.8 5.0 77 50 I 130 HIS HD2 I 123 LYS HDy 1.0 1.8 5.0 78 51 I 130 HIS HD2 I 130 HIS HBx 1.0 1.8 3.4 79 51 I 130 HIS HD2 I 130 HIS HBy 1.0 1.8 3.4 80 52 I 123 LYS HA I 130 HIS HD2 1.0 1.8 5.0 81 53 I 130 HIS HD2 I 130 HIS HBx 1.0 1.8 5.0 82 53 I 130 HIS HD2 I 130 HIS HBy 1.0 1.8 5.0 83 54 I 123 LYS H I 130 HIS HD2 1.0 1.8 5.0 84 55 I 119 ASP H I 120 ALA H 1.0 1.8 3.4 85 56 I 121 MET H I 120 ALA H 1.0 1.8 2.8 86 57 I 121 MET H I 120 ALA H 1.0 1.8 2.8 87 58 I 119 ASP H I 120 ALA H 1.0 1.8 3.4 88 59 I 121 MET H I 119 ASP HA 1.0 1.8 5.0 89 60 I 121 MET H I 121 MET HGx 1.0 1.8 5.0 90 60 I 121 MET H I 121 MET HGy 1.0 1.8 5.0 91 61 I 121 MET H I 116 MET HBx 1.0 1.8 5.0 92 61 I 116 MET HBy I 121 MET H 1.0 1.8 5.0 93 62 I 121 MET H I 118 ALA HA 1.0 1.8 3.4 94 63 I 119 ASP H I 118 ALA HA 1.0 1.8 5.0 95 64 I 119 ASP H I 117 SER HBy 1.0 1.8 5.0 96 64 I 119 ASP H I 117 SER HBx 1.0 1.8 5.0 97 65 I 117 SER H I 117 SER HBy 1.0 1.8 5.0 98 65 I 117 SER H I 117 SER HBx 1.0 1.8 5.0 99 66 I 117 SER H I 116 MET HA 1.0 1.8 2.8 100 67 I 117 SER H I 116 MET HBx 1.0 1.8 5.0 101 67 I 116 MET HBy I 117 SER H 1.0 1.8 5.0 102 68 I 115 ARG H1 I 115 ARG HA 1.0 1.8 3.4 103 69 I 116 MET H I 115 ARG HB2 1.0 1.8 5.0 104 69 I 116 MET H I 115 ARG HBy 1.0 1.8 5.0 105 70 I 116 MET H I 115 ARG HGx 1.0 1.8 5.0 106 70 I 116 MET H I 115 ARG HGy 1.0 1.8 5.0 107 71 I 123 LYS H I 124 ALA H 1.0 1.8 2.8 108 72 I 123 LYS H I 124 ALA H 1.0 1.8 2.8 109 73 I 125 LEU HA I 125 LEU H 1.0 1.8 3.4 110 74 I 124 ALA HA I 125 LEU H 1.0 1.8 3.4 111 75 I 127 GLY H I 127 GLY HA2 1.0 1.8 2.8 112 75 I 127 GLY H I 127 GLY HAy 1.0 1.8 2.8 113 76 I 125 LEU HA I 126 LEU H 1.0 1.8 3.4 114 77 I 126 LEU H I 127 GLY HA2 1.0 1.8 3.4 115 77 I 126 LEU H I 127 GLY HAy 1.0 1.8 3.4 116 78 I 126 LEU H I 126 LEU HA 1.0 1.8 3.4 117 79 I 123 LYS H I 119 ASP HA 1.0 1.8 5.0 118 80 I 125 LEU H I 122 LEU HA 1.0 1.8 5.0 119 81 I 119 ASP HA I 130 HIS HE1 1.0 1.8 5.0 120 82 I 130 HIS HE1 I 130 HIS HA 1.0 1.8 5.0 121 83 I 120 ALA H I 117 SER HBy 1.0 1.8 5.0 122 83 I 120 ALA H I 117 SER HBx 1.0 1.8 5.0 123 84 I 127 GLY H I 126 LEU HA 1.0 1.8 5.0 124 85 I 127 GLY H I 126 LEU HDx% 1.0 1.8 5.0 125 85 I 126 LEU HDy% I 127 GLY H 1.0 1.8 5.0 126 86 I 124 ALA H I 125 LEU HDx% 1.0 1.8 5.0 127 86 I 125 LEU HDy% I 124 ALA H 1.0 1.8 5.0 128 87 I 124 ALA H I 125 LEU HDx% 1.0 1.8 5.0 129 87 I 125 LEU HDy% I 124 ALA H 1.0 1.8 5.0 130 88 I 123 LYS H I 122 LEU HDx% 1.0 1.8 5.0 131 88 I 122 LEU HDy% I 123 LYS H 1.0 1.8 5.0 132 89 I 123 LYS H I 122 LEU HDx% 1.0 1.8 5.0 133 89 I 122 LEU HDy% I 123 LYS H 1.0 1.8 5.0 134 90 I 127 GLY H I 126 LEU HDx% 1.0 1.8 5.0 135 90 I 126 LEU HDy% I 127 GLY H 1.0 1.8 5.0 136 91 I 130 HIS HE1 I 122 LEU HB2 1.0 1.8 5.0 137 91 I 122 LEU HBy I 130 HIS HE1 1.0 1.8 5.0 138 92 I 130 HIS HE1 I 122 LEU HDx% 1.0 1.8 3.4 139 92 I 122 LEU HDy% I 130 HIS HE1 1.0 1.8 3.4 140 93 I 121 MET H I 123 LYS H 1.0 1.8 5.0 141 94 I 125 LEU H I 124 ALA H 1.0 1.8 2.8 142 95 I 121 MET HA I 123 LYS H 1.0 1.8 5.0 143 96 I 125 LEU HG I 126 LEU H 1.0 1.8 5.0 144 97 I 126 LEU H I 126 LEU HG 1.0 1.8 5.0 145 98 I 126 LEU H I 125 LEU H 1.0 1.8 3.4 146 99 I 126 LEU H I 125 LEU H 1.0 1.8 2.8 147 100 I 125 LEU HA I 127 GLY H 1.0 1.8 5.0 148 101 I 121 MET HA I 122 LEU H 1.0 1.8 5.0 149 102 I 122 LEU H I 122 LEU HA 1.0 1.8 5.0 150 103 I 118 ALA H I 117 SER HBy 1.0 1.8 5.0 151 103 I 118 ALA H I 117 SER HBx 1.0 1.8 5.0 152 104 I 116 MET H I 116 MET HGy 1.0 1.8 5.0 153 104 I 116 MET H I 116 MET HGx 1.0 1.8 5.0 154 105 I 130 HIS HA I 130 HIS H 1.0 1.8 5.0 155 106 I 130 HIS HD2 I 130 HIS HA 1.0 1.8 5.0 156 107 I 123 LYS H I 123 LYS HD2 1.0 1.8 5.0 157 107 I 123 LYS H I 123 LYS HDy 1.0 1.8 5.0 158 108 I 122 LEU H I 121 MET HB2 1.0 1.8 5.0 159 108 I 121 MET HBy I 122 LEU H 1.0 1.8 5.0 160 109 I 123 LYS HA I 123 LYS HD2 1.0 1.8 5.0 161 109 I 123 LYS HA I 123 LYS HDy 1.0 1.8 5.0 162 110 I 123 LYS HA I 123 LYS HG2 1.0 1.8 5.0 163 110 I 123 LYS HGy I 123 LYS HA 1.0 1.8 5.0 164 111 I 125 LEU HA I 125 LEU HDx% 1.0 1.8 5.0 165 111 I 125 LEU HDy% I 125 LEU HA 1.0 1.8 5.0 166 112 I 125 LEU HA I 125 LEU HDx% 1.0 1.8 2.8 167 112 I 125 LEU HDy% I 125 LEU HA 1.0 1.8 2.8 168 113 I 126 LEU HA I 126 LEU HDx% 1.0 1.8 3.4 169 113 I 126 LEU HDy% I 126 LEU HA 1.0 1.8 3.4 170 114 I 121 MET HA I 121 MET HB2 1.0 1.8 3.4 171 114 I 121 MET HA I 121 MET HBy 1.0 1.8 3.4 172 115 I 126 LEU HBx I 126 LEU HDx% 1.0 1.8 2.8 173 115 I 126 LEU HBy I 126 LEU HDx% 1.0 1.8 2.8 174 115 I 126 LEU HDy% I 126 LEU HBx 1.0 1.8 2.8 175 115 I 126 LEU HDy% I 126 LEU HBy 1.0 1.8 2.8 176 116 I 126 LEU HBx I 126 LEU HDx% 1.0 1.8 2.8 177 116 I 126 LEU HBy I 126 LEU HDx% 1.0 1.8 2.8 178 116 I 126 LEU HDy% I 126 LEU HBx 1.0 1.8 2.8 179 116 I 126 LEU HDy% I 126 LEU HBy 1.0 1.8 2.8 180 117 I 125 LEU HBy I 125 LEU HDx% 1.0 1.8 2.8 181 117 I 125 LEU HDy% I 125 LEU HB2 1.0 1.8 2.8 182 117 I 125 LEU HDy% I 125 LEU HBy 1.0 1.8 2.8 183 117 I 125 LEU HB2 I 125 LEU HDx% 1.0 1.8 2.8 184 118 I 125 LEU HBy I 125 LEU HDx% 1.0 1.8 2.8 185 118 I 125 LEU HDy% I 125 LEU HB2 1.0 1.8 2.8 186 118 I 125 LEU HDy% I 125 LEU HBy 1.0 1.8 2.8 187 118 I 125 LEU HB2 I 125 LEU HDx% 1.0 1.8 2.8 188 119 I 124 ALA HB% I 125 LEU HDx% 1.0 1.8 2.8 189 119 I 125 LEU HDy% I 124 ALA HB% 1.0 1.8 2.8 190 120 I 124 ALA HB% I 125 LEU HDx% 1.0 1.8 2.8 191 120 I 125 LEU HDy% I 124 ALA HB% 1.0 1.8 2.8 192 121 I 119 ASP HA I 119 ASP HB2 1.0 1.8 3.4 193 121 I 119 ASP HBy I 119 ASP HA 1.0 1.8 3.4 194 122 I 117 SER HA I 117 SER HBy 1.0 1.8 2.8 195 122 I 117 SER HA I 117 SER HBx 1.0 1.8 2.8 196 123 I 117 SER HA I 117 SER HBy 1.0 1.8 2.8 197 123 I 117 SER HA I 117 SER HBx 1.0 1.8 2.8 198 124 I 119 ASP HA I 122 LEU HB2 1.0 1.8 3.4 199 124 I 122 LEU HBy I 119 ASP HA 1.0 1.8 3.4 200 125 I 119 ASP HA I 119 ASP HB2 1.0 1.8 2.8 201 125 I 119 ASP HBy I 119 ASP HA 1.0 1.8 2.8 202 126 I 118 ALA HB% I 119 ASP HA 1.0 1.8 5.0 203 127 I 130 HIS HA I 130 HIS HBx 1.0 1.8 3.4 204 127 I 130 HIS HBy I 130 HIS HA 1.0 1.8 3.4 205 128 I 130 HIS HA I 126 LEU HDx% 1.0 1.8 5.0 206 128 I 126 LEU HDy% I 130 HIS HA 1.0 1.8 5.0 207 129 I 115 ARG HB2 I 115 ARG HD2 1.0 1.8 5.0 208 129 I 115 ARG HBy I 115 ARG HD2 1.0 1.8 5.0 209 129 I 115 ARG HDy I 115 ARG HB2 1.0 1.8 5.0 210 129 I 115 ARG HBy I 115 ARG HDy 1.0 1.8 5.0 211 130 I 115 ARG HD2 I 115 ARG HGx 1.0 1.8 3.4 212 130 I 115 ARG HDy I 115 ARG HGx 1.0 1.8 3.4 213 130 I 115 ARG HGy I 115 ARG HD2 1.0 1.8 3.4 214 130 I 115 ARG HGy I 115 ARG HDy 1.0 1.8 3.4 215 131 I 115 ARG HD2 I 115 ARG HGx 1.0 1.8 5.0 216 131 I 115 ARG HDy I 115 ARG HGx 1.0 1.8 5.0 217 131 I 115 ARG HGy I 115 ARG HD2 1.0 1.8 5.0 218 131 I 115 ARG HGy I 115 ARG HDy 1.0 1.8 5.0 219 132 I 126 LEU HBx I 130 HIS HBx 1.0 1.8 5.0 220 132 I 126 LEU HBy I 130 HIS HBx 1.0 1.8 5.0 221 132 I 130 HIS HBy I 126 LEU HBx 1.0 1.8 5.0 222 132 I 126 LEU HBy I 130 HIS HBy 1.0 1.8 5.0 223 133 I 126 LEU HDy% I 130 HIS HBx 1.0 1.8 5.0 224 133 I 126 LEU HDx% I 130 HIS HBx 1.0 1.8 5.0 225 133 I 130 HIS HBy I 126 LEU HDx% 1.0 1.8 5.0 226 133 I 126 LEU HDy% I 130 HIS HBy 1.0 1.8 5.0 227 134 I 123 LYS HA I 130 HIS HBx 1.0 1.8 5.0 228 134 I 123 LYS HA I 130 HIS HBy 1.0 1.8 5.0 229 135 I 121 MET HGy I 125 LEU HDx% 1.0 1.8 5.0 230 135 I 121 MET HGx I 125 LEU HDx% 1.0 1.8 5.0 231 135 I 125 LEU HDy% I 121 MET HGx 1.0 1.8 5.0 232 135 I 125 LEU HDy% I 121 MET HGy 1.0 1.8 5.0 233 136 I 120 ALA HB% I 119 ASP HB2 1.0 1.8 5.0 234 136 I 119 ASP HBy I 120 ALA HB% 1.0 1.8 5.0 235 137 I 121 MET HBy I 121 MET HGx 1.0 1.8 2.8 236 137 I 121 MET HB2 I 121 MET HGx 1.0 1.8 2.8 237 137 I 121 MET HGy I 121 MET HB2 1.0 1.8 2.8 238 137 I 121 MET HBy I 121 MET HGy 1.0 1.8 2.8 239 138 I 121 MET HBy I 121 MET HGx 1.0 1.8 3.4 240 138 I 121 MET HB2 I 121 MET HGx 1.0 1.8 3.4 241 138 I 121 MET HGy I 121 MET HB2 1.0 1.8 3.4 242 138 I 121 MET HBy I 121 MET HGy 1.0 1.8 3.4 243 139 I 120 ALA HB% I 116 MET HBx 1.0 1.8 3.4 244 139 I 116 MET HBy I 120 ALA HB% 1.0 1.8 3.4 245 140 I 118 ALA HB% I 121 MET HE% 1.0 1.8 3.4 246 141 I 121 MET HE% I 125 LEU HDx% 1.0 1.8 3.4 247 141 I 125 LEU HDy% I 121 MET HE% 1.0 1.8 3.4 248 142 I 121 MET HE% I 125 LEU HDx% 1.0 1.8 5.0 249 142 I 125 LEU HDy% I 121 MET HE% 1.0 1.8 5.0 250 143 I 121 MET HE% I 122 LEU HDx% 1.0 1.8 5.0 251 143 I 122 LEU HDy% I 121 MET HE% 1.0 1.8 5.0 252 144 I 118 ALA H I 118 ALA HA 1.0 1.8 5.0 253 145 I 116 MET H I 115 ARG HA 1.0 1.8 5.0 254 146 I 119 ASP H I 118 ALA HA 1.0 1.8 5.0 255 147 I 117 SER H I 117 SER HBy 1.0 1.8 5.0 256 147 I 117 SER H I 117 SER HBx 1.0 1.8 5.0 257 148 I 115 ARG H1 I 115 ARG HA 1.0 1.8 5.0 258 149 I 121 MET HA I 121 MET H 1.0 1.8 5.0 259 150 I 121 MET H I 120 ALA HA 1.0 1.8 5.0 260 151 I 125 LEU HA I 125 LEU H 1.0 1.8 5.0 261 152 I 124 ALA HA I 125 LEU H 1.0 1.8 5.0 262 153 I 123 LYS H I 120 ALA HA 1.0 1.8 3.4 263 154 I 123 LYS H I 123 LYS HA 1.0 1.8 2.8 264 155 I 120 ALA H I 120 ALA HA 1.0 1.8 3.4 265 156 I 124 ALA HA I 124 ALA H 1.0 1.8 3.4 266 157 I 124 ALA H I 120 ALA HA 1.0 1.8 5.0 267 158 I 124 ALA H I 123 LYS HA 1.0 1.8 5.0 268 159 I 127 GLY H I 127 GLY HA2 1.0 1.8 2.8 269 159 I 127 GLY H I 127 GLY HAy 1.0 1.8 2.8 270 160 I 123 LYS HA I 130 HIS HD2 1.0 1.8 5.0 271 161 I 121 MET HA I 121 MET HGx 1.0 1.8 5.0 272 161 I 121 MET HA I 121 MET HGy 1.0 1.8 5.0 273 162 I 121 MET HA I 121 MET HGx 1.0 1.8 5.0 274 162 I 121 MET HA I 121 MET HGy 1.0 1.8 5.0 275 163 I 124 ALA HA I 123 LYS HBx 1.0 1.8 3.4 276 163 I 124 ALA HA I 123 LYS HBy 1.0 1.8 3.4 277 164 I 120 ALA HA I 123 LYS HBx 1.0 1.8 3.4 278 164 I 123 LYS HBy I 120 ALA HA 1.0 1.8 3.4 279 165 I 123 LYS HA I 130 HIS HBx 1.0 1.8 5.0 280 165 I 123 LYS HA I 130 HIS HBy 1.0 1.8 5.0 281 166 I 123 LYS HA I 126 LEU HDx% 1.0 1.8 5.0 282 166 I 126 LEU HDy% I 123 LYS HA 1.0 1.8 5.0 283 167 I 117 SER HBx I 119 ASP HB2 1.0 1.8 5.0 284 167 I 117 SER HBy I 119 ASP HB2 1.0 1.8 5.0 285 167 I 119 ASP HBy I 117 SER HBy 1.0 1.8 5.0 286 167 I 119 ASP HBy I 117 SER HBx 1.0 1.8 5.0 287 168 I 120 ALA HA I 123 LYS HBx 1.0 1.8 3.4 288 168 I 123 LYS HBy I 120 ALA HA 1.0 1.8 3.4 289 169 I 120 ALA HB% I 117 SER HBy 1.0 1.8 3.4 290 169 I 120 ALA HB% I 117 SER HBx 1.0 1.8 3.4 291 170 I 119 ASP HA I 122 LEU HDx% 1.0 1.8 3.4 292 170 I 122 LEU HDy% I 119 ASP HA 1.0 1.8 3.4 293 171 I 123 LYS H I 123 LYS HE2 1.0 1.8 5.0 294 171 I 123 LYS H I 123 LYS HEy 1.0 1.8 5.0 295 172 I 130 HIS HE1 I 122 LEU HDx% 1.0 1.8 3.4 296 172 I 122 LEU HDy% I 130 HIS HE1 1.0 1.8 3.4 297 173 I 130 HIS HE1 I 126 LEU HDx% 1.0 1.8 5.0 298 173 I 126 LEU HDy% I 130 HIS HE1 1.0 1.8 5.0 299 174 I 116 MET H I 115 ARG H1 1.0 1.8 5.0 300 175 I 116 MET H I 115 ARG H1 1.0 1.8 5.0 301 176 I 118 ALA H I 117 SER H 1.0 1.8 5.0 302 177 I 118 ALA H I 119 ASP H 1.0 1.8 3.4 303 178 I 116 MET H I 116 MET HGy 1.0 1.8 5.0 304 178 I 116 MET H I 116 MET HGx 1.0 1.8 5.0 305 179 I 120 ALA HA I 119 ASP HB2 1.0 1.8 5.0 306 179 I 119 ASP HBy I 120 ALA HA 1.0 1.8 5.0 307 180 I 120 ALA HB% I 117 SER HBy 1.0 1.8 3.4 308 180 I 120 ALA HB% I 117 SER HBx 1.0 1.8 3.4 309 181 I 120 ALA HB% I 116 MET HA 1.0 1.8 3.4 310 182 I 118 ALA HB% I 117 SER HA 1.0 1.8 5.0 311 183 I 118 ALA HB% I 119 ASP HB2 1.0 1.8 5.0 312 183 I 118 ALA HB% I 119 ASP HBy 1.0 1.8 5.0 313 184 I 119 ASP HB2 I 122 LEU HDx% 1.0 1.8 5.0 314 184 I 119 ASP HBy I 122 LEU HDx% 1.0 1.8 5.0 315 184 I 122 LEU HDy% I 119 ASP HB2 1.0 1.8 5.0 316 184 I 122 LEU HDy% I 119 ASP HBy 1.0 1.8 5.0 317 185 I 116 MET HA I 116 MET HBx 1.0 1.8 3.4 318 185 I 116 MET HBy I 116 MET HA 1.0 1.8 3.4 319 186 I 116 MET HA I 116 MET HBx 1.0 1.8 5.0 320 186 I 116 MET HBy I 116 MET HA 1.0 1.8 5.0 321 187 I 120 ALA HA I 123 LYS HBx 1.0 1.8 3.4 322 187 I 123 LYS HBy I 120 ALA HA 1.0 1.8 3.4 323 188 I 120 ALA HB% I 119 ASP HA 1.0 1.8 5.0 324 189 I 121 MET H I 123 LYS H 1.0 1.8 5.0 325 190 I 119 ASP H I 119 ASP HA 1.0 1.8 5.0 326 191 I 121 MET HBy I 121 MET HGx 1.0 1.8 3.4 327 191 I 121 MET HB2 I 121 MET HGx 1.0 1.8 3.4 328 191 I 121 MET HGy I 121 MET HB2 1.0 1.8 3.4 329 191 I 121 MET HBy I 121 MET HGy 1.0 1.8 3.4 330 192 I 121 MET HBy I 121 MET HGx 1.0 1.8 3.4 331 192 I 121 MET HB2 I 121 MET HGx 1.0 1.8 3.4 332 192 I 121 MET HGy I 121 MET HB2 1.0 1.8 3.4 333 192 I 121 MET HBy I 121 MET HGy 1.0 1.8 3.4 334 193 I 121 MET HA I 121 MET HB2 1.0 1.8 2.8 335 193 I 121 MET HA I 121 MET HBy 1.0 1.8 2.8 336 194 I 121 MET H I 121 MET HB2 1.0 1.8 2.8 337 194 I 121 MET HBy I 121 MET H 1.0 1.8 2.8 338 195 I 126 LEU H I 124 ALA H 1.0 1.8 5.0 339 196 I 123 LYS H I 119 ASP HB2 1.0 1.8 5.0 340 196 I 119 ASP HBy I 123 LYS H 1.0 1.8 5.0 341 197 I 123 LYS HBx I 123 LYS HG2 1.0 1.8 2.8 342 197 I 123 LYS HBy I 123 LYS HG2 1.0 1.8 2.8 343 197 I 123 LYS HGy I 123 LYS HBx 1.0 1.8 2.8 344 197 I 123 LYS HBy I 123 LYS HGy 1.0 1.8 2.8 345 198 I 123 LYS HA I 123 LYS HD2 1.0 1.8 5.0 346 198 I 123 LYS HA I 123 LYS HDy 1.0 1.8 5.0 347 199 I 123 LYS HA I 123 LYS HBx 1.0 1.8 2.8 348 199 I 123 LYS HBy I 123 LYS HA 1.0 1.8 2.8 349 200 I 123 LYS HA I 123 LYS HBx 1.0 1.8 5.0 350 200 I 123 LYS HBy I 123 LYS HA 1.0 1.8 5.0 351 201 I 122 LEU HG I 126 LEU HDx% 1.0 1.8 3.4 352 201 I 126 LEU HDy% I 122 LEU HG 1.0 1.8 3.4 353 202 I 118 ALA HB% I 122 LEU HDx% 1.0 1.8 3.4 354 202 I 118 ALA HB% I 122 LEU HDy% 1.0 1.8 3.4 355 203 I 124 ALA HB% I 125 LEU HDx% 1.0 1.8 3.4 356 203 I 125 LEU HDy% I 124 ALA HB% 1.0 1.8 3.4 357 204 I 122 LEU HB2 I 122 LEU HDx% 1.0 1.8 2.8 358 204 I 122 LEU HBy I 122 LEU HDx% 1.0 1.8 2.8 359 204 I 122 LEU HDy% I 122 LEU HB2 1.0 1.8 2.8 360 204 I 122 LEU HDy% I 122 LEU HBy 1.0 1.8 2.8 361 205 I 122 LEU HB2 I 122 LEU HDx% 1.0 1.8 2.8 362 205 I 122 LEU HBy I 122 LEU HDx% 1.0 1.8 2.8 363 205 I 122 LEU HDy% I 122 LEU HB2 1.0 1.8 2.8 364 205 I 122 LEU HDy% I 122 LEU HBy 1.0 1.8 2.8 365 206 I 125 LEU HBy I 125 LEU HDx% 1.0 1.8 2.8 366 206 I 125 LEU HDy% I 125 LEU HB2 1.0 1.8 2.8 367 206 I 125 LEU HDy% I 125 LEU HBy 1.0 1.8 2.8 368 206 I 125 LEU HB2 I 125 LEU HDx% 1.0 1.8 2.8 369 207 I 126 LEU HBx I 126 LEU HDx% 1.0 1.8 2.8 370 207 I 126 LEU HBy I 126 LEU HDx% 1.0 1.8 2.8 371 207 I 126 LEU HDy% I 126 LEU HBx 1.0 1.8 2.8 372 207 I 126 LEU HDy% I 126 LEU HBy 1.0 1.8 2.8 373 208 I 125 LEU HBy I 125 LEU HDx% 1.0 1.8 2.8 374 208 I 125 LEU HDy% I 125 LEU HB2 1.0 1.8 2.8 375 208 I 125 LEU HDy% I 125 LEU HBy 1.0 1.8 2.8 376 208 I 125 LEU HB2 I 125 LEU HDx% 1.0 1.8 2.8 377 209 I 126 LEU HBx I 126 LEU HDx% 1.0 1.8 2.8 378 209 I 126 LEU HBy I 126 LEU HDx% 1.0 1.8 2.8 379 209 I 126 LEU HDy% I 126 LEU HBx 1.0 1.8 2.8 380 209 I 126 LEU HDy% I 126 LEU HBy 1.0 1.8 2.8 381 210 I 120 ALA HB% I 119 ASP HB2 1.0 1.8 3.4 382 210 I 119 ASP HBy I 120 ALA HB% 1.0 1.8 3.4 383 211 I 121 MET HE% I 122 LEU HDx% 1.0 1.8 5.0 384 211 I 122 LEU HDy% I 121 MET HE% 1.0 1.8 5.0 385 212 I 125 LEU H I 124 ALA H 1.0 1.8 2.8 386 213 I 127 GLY H I 126 LEU HBx 1.0 1.8 5.0 387 213 I 126 LEU HBy I 127 GLY H 1.0 1.8 5.0 388 214 I 122 LEU H I 120 ALA HA 1.0 1.8 5.0 389 215 I 119 ASP H I 122 LEU HDx% 1.0 1.8 5.0 390 215 I 122 LEU HDy% I 119 ASP H 1.0 1.8 5.0 391 216 I 121 MET H I 122 LEU HB2 1.0 1.8 5.0 392 216 I 121 MET H I 122 LEU HBy 1.0 1.8 5.0 393 217 I 121 MET HE% I 125 LEU HDx% 1.0 1.8 2.8 394 217 I 125 LEU HDy% I 121 MET HE% 1.0 1.8 2.8 395 218 I 122 LEU HB2 I 122 LEU HDx% 1.0 1.8 2.8 396 218 I 122 LEU HBy I 122 LEU HDx% 1.0 1.8 2.8 397 218 I 122 LEU HDy% I 122 LEU HB2 1.0 1.8 2.8 398 218 I 122 LEU HDy% I 122 LEU HBy 1.0 1.8 2.8 399 219 I 122 LEU HB2 I 122 LEU HDx% 1.0 1.8 3.4 400 219 I 122 LEU HBy I 122 LEU HDx% 1.0 1.8 3.4 401 219 I 122 LEU HDy% I 122 LEU HB2 1.0 1.8 3.4 402 219 I 122 LEU HDy% I 122 LEU HBy 1.0 1.8 3.4 403 220 I 130 HIS HD2 I 130 HIS HBx 1.0 1.8 5.0 404 220 I 130 HIS HD2 I 130 HIS HBy 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_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 I 118 ALA C I 119 ASP N I 119 ASP CA I 119 ASP C 1.0 -85.0 -35.0 PHI 2 2 I 119 ASP C I 120 ALA N I 120 ALA CA I 120 ALA C 1.0 -85.0 -35.0 PHI 3 3 I 120 ALA C I 121 MET N I 121 MET CA I 121 MET C 1.0 -85.0 -35.0 PHI 4 4 I 121 MET C I 122 LEU N I 122 LEU CA I 122 LEU C 1.0 -85.0 -35.0 PHI 5 5 I 122 LEU C I 123 LYS N I 123 LYS CA I 123 LYS C 1.0 -85.0 -35.0 PHI 6 6 I 123 LYS C I 124 ALA N I 124 ALA CA I 124 ALA C 1.0 -85.0 -35.0 PHI 7 7 I 118 ALA N I 118 ALA CA I 118 ALA C I 119 ASP N 1.0 -55.0 -5.0 PSI 8 8 I 119 ASP N I 119 ASP CA I 119 ASP C I 120 ALA N 1.0 -55.0 -5.0 PSI 9 9 I 120 ALA N I 120 ALA CA I 120 ALA C I 121 MET N 1.0 -55.0 -5.0 PSI 10 10 I 121 MET N I 121 MET CA I 121 MET C I 122 LEU N 1.0 -55.0 -5.0 PSI 11 11 I 122 LEU N I 122 LEU CA I 122 LEU C I 123 LYS N 1.0 -55.0 -5.0 PSI 12 12 I 123 LYS N I 123 LYS CA I 123 LYS C I 124 ALA N 1.0 -55.0 -5.0 PSI 13 13 I 124 ALA N I 124 ALA CA I 124 ALA C I 125 LEU N 1.0 -55.0 -5.0 PSI stop_ save_