data_nef_c18567_2n8q 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 16864 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly 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 MET start . . 2 A 2 ARG middle . . 3 A 3 GLY middle . false 4 A 4 SER middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 HIS middle . . 8 A 8 HIS middle . . 9 A 9 HIS middle . . 10 A 10 HIS middle . . 11 A 11 GLY middle . false 12 A 12 SER middle . . 13 A 13 HIS middle . . 14 A 14 VAL middle . . 15 A 15 ILE middle . . 16 A 16 SER middle . . 17 A 17 SER middle . . 18 A 18 ILE middle . . 19 A 19 ALA middle . . 20 A 20 SER middle . . 21 A 21 ARG middle . . 22 A 22 GLY middle . false 23 A 23 SER middle . . 24 A 24 MET middle . . 25 A 25 ALA middle . . 26 A 26 GLU middle . . 27 A 27 HIS middle . . 28 A 28 GLN middle . . 29 A 29 LEU middle . . 30 A 30 GLY middle . false 31 A 31 PRO middle . false 32 A 32 ILE middle . . 33 A 33 ALA middle . . 34 A 34 GLY middle . false 35 A 35 ALA middle . . 36 A 36 ILE middle . . 37 A 37 LYS middle . . 38 A 38 SER middle . . 39 A 39 LYS middle . . 40 A 40 VAL middle . . 41 A 41 GLU middle . . 42 A 42 ALA middle . . 43 A 43 ALA middle . . 44 A 44 LEU middle . . 45 A 45 SER middle . . 46 A 46 PRO middle . false 47 A 47 THR middle . . 48 A 48 HIS middle . . 49 A 49 PHE middle . . 50 A 50 LYS middle . . 51 A 51 LEU middle . . 52 A 52 ILE middle . . 53 A 53 ASN middle . . 54 A 54 ASP middle . . 55 A 55 SER middle . . 56 A 56 HIS middle . . 57 A 57 LYS middle . . 58 A 58 HIS middle . . 59 A 59 ALA middle . . 60 A 60 GLY middle . false 61 A 61 HIS middle . . 62 A 62 TYR middle . . 63 A 63 ALA middle . . 64 A 64 ARG middle . . 65 A 65 ASP middle . . 66 A 66 GLY middle . false 67 A 67 SER middle . . 68 A 68 THR middle . . 69 A 69 ALA middle . . 70 A 70 SER middle . . 71 A 71 ASP middle . . 72 A 72 ALA middle . . 73 A 73 GLY middle . false 74 A 74 GLU middle . . 75 A 75 THR middle . . 76 A 76 HIS middle . . 77 A 77 PHE middle . . 78 A 78 ARG middle . . 79 A 79 LEU middle . . 80 A 80 GLU middle . . 81 A 81 VAL middle . . 82 A 82 THR middle . . 83 A 83 SER middle . . 84 A 84 ASP middle . . 85 A 85 ALA middle . . 86 A 86 PHE middle . . 87 A 87 LYS middle . . 88 A 88 GLY middle . false 89 A 89 LEU middle . . 90 A 90 THR middle . . 91 A 91 LEU middle . . 92 A 92 VAL middle . . 93 A 93 LYS middle . . 94 A 94 ARG middle . . 95 A 95 HIS middle . . 96 A 96 GLN middle . . 97 A 97 LEU middle . . 98 A 98 ILE middle . . 99 A 99 TYR middle . . 100 A 100 GLY middle . false 101 A 101 LEU middle . . 102 A 102 LEU middle . . 103 A 103 SER middle . . 104 A 104 ASP middle . . 105 A 105 GLU middle . . 106 A 106 PHE middle . . 107 A 107 LYS middle . . 108 A 108 ALA middle . . 109 A 109 GLY middle . false 110 A 110 LEU middle . . 111 A 111 HIS middle . . 112 A 112 ALA middle . . 113 A 113 LEU middle . . 114 A 114 ALA middle . . 115 A 115 MET middle . . 116 A 116 THR middle . . 117 A 117 THR middle . . 118 A 118 LYS middle . . 119 A 119 THR middle . . 120 A 120 PRO middle . false 121 A 121 ALA middle . . 122 A 122 GLU middle . . 123 A 123 GLN 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 11 GLY H H 1 8.416 0.02 A 11 GLY C C 13 173.642 0.3 A 11 GLY CA C 13 44.663 0.3 A 11 GLY N N 15 109.392 0.3 A 12 SER H H 1 8.29 0.02 A 12 SER C C 13 174.247 0.3 A 12 SER CA C 13 57.67 0.3 A 12 SER CB C 13 63.081 0.3 A 12 SER N N 15 115.599 0.3 A 13 HIS H H 1 8.34 0.02 A 13 HIS C C 13 176.327 0.3 A 13 HIS CA C 13 55.867 0.3 A 13 HIS CB C 13 29.856 0.3 A 13 HIS N N 15 122.786 0.3 A 14 VAL H H 1 7.51 0.02 A 14 VAL C C 13 173.982 0.3 A 14 VAL CA C 13 57.67 0.3 A 14 VAL CB C 13 31.73 0.3 A 14 VAL N N 15 115.416 0.3 A 15 ILE H H 1 8.112 0.02 A 15 ILE C C 13 175.344 0.3 A 15 ILE CA C 13 60.898 0.3 A 15 ILE CB C 13 37.735 0.3 A 15 ILE N N 15 122.061 0.3 A 16 SER H H 1 8.322 0.02 A 16 SER C C 13 175.571 0.3 A 16 SER CA C 13 60.225 0.3 A 16 SER CB C 13 64.889 0.3 A 16 SER N N 15 125.407 0.3 A 17 SER H H 1 8.426 0.02 A 17 SER C C 13 173.869 0.3 A 17 SER CA C 13 55.006 0.3 A 17 SER CB C 13 65.356 0.3 A 17 SER N N 15 120.273 0.3 A 18 ILE H H 1 8.149 0.02 A 18 ILE C C 13 175.684 0.3 A 18 ILE CA C 13 61.562 0.3 A 18 ILE CB C 13 39.948 0.3 A 18 ILE N N 15 122.116 0.3 A 19 ALA H H 1 8.285 0.02 A 19 ALA C C 13 177.424 0.3 A 19 ALA CA C 13 51.969 0.3 A 19 ALA CB C 13 18.285 0.3 A 19 ALA N N 15 127.023 0.3 A 20 SER H H 1 8.211 0.02 A 20 SER C C 13 174.323 0.3 A 20 SER CA C 13 57.758 0.3 A 20 SER CB C 13 63.071 0.3 A 20 SER N N 15 114.737 0.3 A 24 MET H H 1 8.429 0.02 A 24 MET C C 13 175.571 0.3 A 24 MET CA C 13 55.012 0.3 A 24 MET CB C 13 31.66 0.3 A 24 MET N N 15 121.879 0.3 A 25 ALA H H 1 8.203 0.02 A 25 ALA C C 13 177.235 0.3 A 25 ALA CA C 13 52.159 0.3 A 25 ALA CB C 13 18.38 0.3 A 25 ALA N N 15 124.418 0.3 A 26 GLU H H 1 8.302 0.02 A 26 GLU C C 13 173.415 0.3 A 26 GLU CA C 13 58.308 0.3 A 26 GLU CB C 13 29.387 0.3 A 26 GLU N N 15 119.327 0.3 A 27 HIS H H 1 8.122 0.02 A 27 HIS C C 13 173.869 0.3 A 27 HIS CA C 13 54.911 0.3 A 27 HIS CB C 13 28.628 0.3 A 27 HIS N N 15 118.213 0.3 A 28 GLN H H 1 8.371 0.02 A 28 GLN C C 13 175.079 0.3 A 28 GLN CA C 13 54.911 0.3 A 28 GLN CB C 13 28.628 0.3 A 28 GLN N N 15 121.309 0.3 A 29 LEU H H 1 8.417 0.02 A 29 LEU C C 13 177.921 0.3 A 29 LEU CA C 13 54.911 0.3 A 29 LEU CB C 13 42.007 0.3 A 29 LEU N N 15 123.827 0.3 A 30 GLY H H 1 8.519 0.02 A 30 GLY C C 13 172.452 0.3 A 30 GLY CA C 13 44.568 0.3 A 30 GLY N N 15 110.871 0.3 A 31 PRO C C 13 180.224 0.3 A 32 ILE H H 1 10.329 0.02 A 32 ILE C C 13 176.857 0.3 A 32 ILE CA C 13 63.556 0.3 A 32 ILE CB C 13 37.033 0.3 A 32 ILE N N 15 124.287 0.3 A 33 ALA H H 1 9.347 0.02 A 33 ALA C C 13 179.316 0.3 A 33 ALA CA C 13 54.443 0.3 A 33 ALA CB C 13 18.844 0.3 A 33 ALA N N 15 124.412 0.3 A 34 GLY H H 1 8.67 0.02 A 34 GLY C C 13 175.684 0.3 A 34 GLY CA C 13 46.181 0.3 A 34 GLY N N 15 132.175 0.3 A 35 ALA H H 1 7.397 0.02 A 35 ALA C C 13 178.635 0.3 A 35 ALA CA C 13 54.152 0.3 A 35 ALA CB C 13 18.19 0.3 A 35 ALA N N 15 126.174 0.3 A 36 ILE H H 1 8.425 0.02 A 36 ILE C C 13 176.706 0.3 A 36 ILE CA C 13 65.075 0.3 A 36 ILE CB C 13 36.786 0.3 A 36 ILE N N 15 117.159 0.3 A 37 LYS H H 1 7.908 0.02 A 37 LYS C C 13 176.895 0.3 A 37 LYS CA C 13 58.991 0.3 A 37 LYS CB C 13 32.328 0.3 A 37 LYS N N 15 116.596 0.3 A 38 SER H H 1 8.048 0.02 A 38 SER C C 13 177.76 0.3 A 38 SER CA C 13 55.101 0.3 A 38 SER CB C 13 62.122 0.3 A 38 SER N N 15 111.668 0.3 A 39 LYS H H 1 8.624 0.02 A 39 LYS C C 13 179.694 0.3 A 39 LYS CA C 13 55.101 0.3 A 39 LYS CB C 13 34.395 0.3 A 39 LYS N N 15 120.626 0.3 A 40 VAL H H 1 8.475 0.02 A 40 VAL C C 13 180.715 0.3 A 40 VAL CA C 13 56.239 0.3 A 40 VAL CB C 13 30.046 0.3 A 40 VAL N N 15 118.92 0.3 A 41 GLU H H 1 8.341 0.02 A 41 GLU C C 13 178.786 0.3 A 41 GLU CA C 13 54.816 0.3 A 41 GLU CB C 13 28.628 0.3 A 41 GLU N N 15 118.628 0.3 A 42 ALA H H 1 7.618 0.02 A 42 ALA C C 13 178.786 0.3 A 42 ALA CA C 13 53.393 0.3 A 42 ALA CB C 13 17.906 0.3 A 42 ALA N N 15 118.67 0.3 A 43 ALA H H 1 7.523 0.02 A 43 ALA C C 13 179.127 0.3 A 43 ALA CA C 13 53.772 0.3 A 43 ALA CB C 13 19.793 0.3 A 43 ALA N N 15 115.576 0.3 A 44 LEU H H 1 8.052 0.02 A 44 LEU C C 13 176.214 0.3 A 44 LEU CA C 13 53.298 0.3 A 44 LEU CB C 13 41.342 0.3 A 44 LEU N N 15 112.134 0.3 A 45 SER H H 1 7.73 0.02 A 45 SER C C 13 177.144 0.3 A 45 SER CA C 13 57.093 0.3 A 45 SER CB C 13 61.553 0.3 A 45 SER N N 15 113.571 0.3 A 46 PRO C C 13 177.198 0.3 A 47 THR H H 1 8.415 0.02 A 47 THR C C 13 175.563 0.3 A 47 THR CA C 13 61.648 0.3 A 47 THR CB C 13 67.436 0.3 A 47 THR N N 15 111.443 0.3 A 48 HIS H H 1 7.33 0.02 A 48 HIS C C 13 171.864 0.3 A 48 HIS CA C 13 55.772 0.3 A 48 HIS CB C 13 31.565 0.3 A 48 HIS N N 15 119.441 0.3 A 49 PHE H H 1 8.155 0.02 A 49 PHE C C 13 172.129 0.3 A 49 PHE CA C 13 55.772 0.3 A 49 PHE CB C 13 41.912 0.3 A 49 PHE N N 15 127.577 0.3 A 50 LYS H H 1 8.19 0.02 A 50 LYS C C 13 172.598 0.3 A 50 LYS CA C 13 55.101 0.3 A 50 LYS CB C 13 35.934 0.3 A 50 LYS N N 15 128.69 0.3 A 51 LEU H H 1 8.582 0.02 A 51 LEU C C 13 174.587 0.3 A 51 LEU CA C 13 52.639 0.3 A 51 LEU CB C 13 44.853 0.3 A 51 LEU N N 15 128.371 0.3 A 52 ILE H H 1 9.281 0.02 A 52 ILE C C 13 174.133 0.3 A 52 ILE CA C 13 60.035 0.3 A 52 ILE CB C 13 41.058 0.3 A 52 ILE N N 15 126.939 0.3 A 53 ASN H H 1 9.288 0.02 A 53 ASN C C 13 174.096 0.3 A 53 ASN CA C 13 51.969 0.3 A 53 ASN CB C 13 37.25 0.3 A 53 ASN N N 15 126.146 0.3 A 54 ASP H H 1 8.641 0.02 A 54 ASP C C 13 177.273 0.3 A 54 ASP CA C 13 52.634 0.3 A 54 ASP CB C 13 41.722 0.3 A 54 ASP N N 15 128.565 0.3 A 55 SER H H 1 8.814 0.02 A 55 SER C C 13 175.824 0.3 A 55 SER CA C 13 62.702 0.3 A 55 SER CB C 13 62.132 0.3 A 55 SER N N 15 118.945 0.3 A 56 HIS H H 1 8.406 0.02 A 56 HIS C C 13 175.495 0.3 A 56 HIS CA C 13 57.101 0.3 A 56 HIS CB C 13 30.529 0.3 A 56 HIS N N 15 118.328 0.3 A 57 LYS H H 1 7.291 0.02 A 57 LYS C C 13 175.42 0.3 A 57 LYS CA C 13 55.86 0.3 A 57 LYS CB C 13 31.095 0.3 A 57 LYS N N 15 118.721 0.3 A 58 HIS H H 1 7.457 0.02 A 58 HIS CA C 13 54.158 0.3 A 58 HIS CB C 13 29.191 0.3 A 58 HIS N N 15 116.837 0.3 A 59 ALA H H 1 7.713 0.02 A 59 ALA C C 13 177.5 0.3 A 59 ALA CA C 13 52.444 0.3 A 59 ALA CB C 13 18.464 0.3 A 59 ALA N N 15 123.866 0.3 A 60 GLY H H 1 8.447 0.02 A 60 GLY C C 13 173.415 0.3 A 60 GLY CA C 13 44.76 0.3 A 60 GLY N N 15 107.641 0.3 A 61 HIS H H 1 8.117 0.02 A 61 HIS C C 13 173.679 0.3 A 61 HIS CA C 13 54.917 0.3 A 61 HIS CB C 13 28.717 0.3 A 61 HIS N N 15 117.993 0.3 A 62 TYR H H 1 8.045 0.02 A 62 TYR C C 13 174.625 0.3 A 62 TYR CA C 13 56.816 0.3 A 62 TYR CB C 13 38.305 0.3 A 62 TYR N N 15 120.61 0.3 A 63 ALA H H 1 8.219 0.02 A 63 ALA C C 13 177.084 0.3 A 63 ALA CA C 13 51.4 0.3 A 63 ALA CB C 13 18.665 0.3 A 63 ALA N N 15 125.883 0.3 A 64 ARG H H 1 8.339 0.02 A 64 ARG C C 13 175.722 0.3 A 64 ARG CA C 13 55.962 0.3 A 64 ARG CB C 13 29.476 0.3 A 64 ARG N N 15 120.435 0.3 A 65 ASP H H 1 8.189 0.02 A 65 ASP C C 13 176.327 0.3 A 65 ASP CA C 13 53.298 0.3 A 65 ASP CB C 13 40.299 0.3 A 65 ASP N N 15 120.014 0.3 A 66 GLY H H 1 8.368 0.02 A 66 GLY C C 13 173.831 0.3 A 66 GLY CA C 13 44.663 0.3 A 66 GLY N N 15 109.2 0.3 A 67 SER H H 1 8.245 0.02 A 67 SER C C 13 175.1 0.3 A 67 SER CA C 13 57.947 0.3 A 67 SER CB C 13 63.356 0.3 A 67 SER N N 15 115.739 0.3 A 68 THR H H 1 8.417 0.02 A 68 THR C C 13 174.285 0.3 A 68 THR CA C 13 61.932 0.3 A 68 THR CB C 13 68.859 0.3 A 68 THR N N 15 115.837 0.3 A 69 ALA H H 1 8.368 0.02 A 69 ALA C C 13 177.387 0.3 A 69 ALA CA C 13 52.444 0.3 A 69 ALA CB C 13 18.38 0.3 A 69 ALA N N 15 125.438 0.3 A 70 SER H H 1 8.24 0.02 A 70 SER C C 13 174.323 0.3 A 70 SER CA C 13 58.422 0.3 A 70 SER CB C 13 62.976 0.3 A 70 SER N N 15 114.469 0.3 A 71 ASP H H 1 8.314 0.02 A 71 ASP C C 13 175.457 0.3 A 71 ASP CA C 13 54.152 0.3 A 71 ASP CB C 13 40.393 0.3 A 71 ASP N N 15 121.882 0.3 A 72 ALA H H 1 8.123 0.02 A 72 ALA C C 13 177.198 0.3 A 72 ALA CA C 13 51.685 0.3 A 72 ALA CB C 13 18.475 0.3 A 72 ALA N N 15 122.98 0.3 A 73 GLY H H 1 8.266 0.02 A 73 GLY C C 13 173.188 0.3 A 73 GLY CA C 13 44.948 0.3 A 73 GLY N N 15 107.044 0.3 A 74 GLU H H 1 8.517 0.02 A 74 GLU C C 13 173.519 0.3 A 74 GLU CA C 13 54.816 0.3 A 74 GLU CB C 13 31.379 0.3 A 74 GLU N N 15 121.975 0.3 A 75 THR H H 1 8.22 0.02 A 75 THR C C 13 175.306 0.3 A 75 THR CA C 13 62.217 0.3 A 75 THR CB C 13 68.574 0.3 A 75 THR N N 15 107.572 0.3 A 76 HIS H H 1 7.832 0.02 A 76 HIS C C 13 172.847 0.3 A 76 HIS CA C 13 55.67 0.3 A 76 HIS CB C 13 32.613 0.3 A 76 HIS N N 15 122.562 0.3 A 77 PHE H H 1 7.972 0.02 A 77 PHE C C 13 175.722 0.3 A 77 PHE CA C 13 57.663 0.3 A 77 PHE CB C 13 43.525 0.3 A 77 PHE N N 15 116.13 0.3 A 78 ARG H H 1 9.393 0.02 A 78 ARG C C 13 174.854 0.3 A 78 ARG CA C 13 54.531 0.3 A 78 ARG CB C 13 32.613 0.3 A 78 ARG N N 15 121.854 0.3 A 79 LEU H H 1 8.614 0.02 A 79 LEU C C 13 173.566 0.3 A 79 LEU CA C 13 52.444 0.3 A 79 LEU CB C 13 44.758 0.3 A 79 LEU N N 15 123.859 0.3 A 80 GLU H H 1 9.234 0.02 A 80 GLU C C 13 174.02 0.3 A 80 GLU CA C 13 59.75 0.3 A 80 GLU CB C 13 30.146 0.3 A 80 GLU N N 15 126.84 0.3 A 81 VAL H H 1 8.583 0.02 A 81 VAL C C 13 173.301 0.3 A 81 VAL CA C 13 59.94 0.3 A 81 VAL CB C 13 34.795 0.3 A 81 VAL N N 15 119.171 0.3 A 82 THR H H 1 8.823 0.02 A 82 THR C C 13 173.642 0.3 A 82 THR CA C 13 59.181 0.3 A 82 THR CB C 13 68.669 0.3 A 82 THR N N 15 127.148 0.3 A 83 SER H H 1 8.939 0.02 A 83 SER C C 13 174.55 0.3 A 83 SER CA C 13 56.05 0.3 A 83 SER CB C 13 63.356 0.3 A 83 SER N N 15 117.236 0.3 A 84 ASP H H 1 9.19 0.02 A 84 ASP C C 13 177.16 0.3 A 84 ASP CA C 13 56.334 0.3 A 84 ASP CB C 13 40.204 0.3 A 84 ASP N N 15 130.628 0.3 A 85 ALA H H 1 8.665 0.02 A 85 ALA C C 13 177.424 0.3 A 85 ALA CA C 13 53.013 0.3 A 85 ALA CB C 13 17.716 0.3 A 85 ALA N N 15 122.589 0.3 A 86 PHE H H 1 6.71 0.02 A 86 PHE C C 13 174.474 0.3 A 86 PHE CA C 13 53.962 0.3 A 86 PHE CB C 13 37.167 0.3 A 86 PHE N N 15 111.325 0.3 A 87 LYS H H 1 7.515 0.02 A 87 LYS C C 13 176.857 0.3 A 87 LYS CA C 13 58.232 0.3 A 87 LYS CB C 13 31.379 0.3 A 87 LYS N N 15 120.471 0.3 A 88 GLY H H 1 9.09 0.02 A 88 GLY C C 13 173.339 0.3 A 88 GLY CA C 13 44.758 0.3 A 88 GLY N N 15 113.642 0.3 A 89 LEU H H 1 7.958 0.02 A 89 LEU C C 13 178.105 0.3 A 89 LEU CA C 13 53.108 0.3 A 89 LEU CB C 13 44.815 0.3 A 89 LEU N N 15 120.043 0.3 A 90 THR H H 1 7.851 0.02 A 90 THR C C 13 174.285 0.3 A 90 THR CA C 13 60.225 0.3 A 90 THR CB C 13 69.334 0.3 A 90 THR N N 15 114.99 0.3 A 91 LEU H H 1 8.651 0.02 A 91 LEU C C 13 178.03 0.3 A 91 LEU CA C 13 59.181 0.3 A 91 LEU CB C 13 40.393 0.3 A 91 LEU N N 15 122.821 0.3 A 92 VAL H H 1 7.99 0.02 A 92 VAL C C 13 177.765 0.3 A 92 VAL CA C 13 65.253 0.3 A 92 VAL CB C 13 30.715 0.3 A 92 VAL N N 15 114.283 0.3 A 93 LYS H H 1 7.14 0.02 A 93 LYS C C 13 179.429 0.3 A 93 LYS CA C 13 58.232 0.3 A 93 LYS CB C 13 32.044 0.3 A 93 LYS N N 15 119.841 0.3 A 94 ARG H H 1 8.528 0.02 A 94 ARG C C 13 176.857 0.3 A 94 ARG CA C 13 59.276 0.3 A 94 ARG CB C 13 28.912 0.3 A 94 ARG N N 15 121.222 0.3 A 95 HIS H H 1 8.145 0.02 A 95 HIS C C 13 176.819 0.3 A 95 HIS CA C 13 57.188 0.3 A 95 HIS CB C 13 28.817 0.3 A 95 HIS N N 15 116.41 0.3 A 96 GLN H H 1 8.451 0.02 A 96 GLN C C 13 178.068 0.3 A 96 GLN CA C 13 58.327 0.3 A 96 GLN CB C 13 27.584 0.3 A 96 GLN N N 15 117.748 0.3 A 97 LEU H H 1 7.892 0.02 A 97 LEU C C 13 179.013 0.3 A 97 LEU CA C 13 57.947 0.3 A 97 LEU CB C 13 41.627 0.3 A 97 LEU N N 15 121.924 0.3 A 98 ILE H H 1 7.17 0.02 A 98 ILE C C 13 177.198 0.3 A 98 ILE CA C 13 63.071 0.3 A 98 ILE CB C 13 34.89 0.3 A 98 ILE N N 15 117.792 0.3 A 99 TYR H H 1 8.678 0.02 A 99 TYR C C 13 179.278 0.3 A 99 TYR CA C 13 63.128 0.3 A 99 TYR CB C 13 36.503 0.3 A 99 TYR N N 15 118.375 0.3 A 100 GLY H H 1 8.414 0.02 A 100 GLY C C 13 175.722 0.3 A 100 GLY CA C 13 46.276 0.3 A 100 GLY N N 15 104.597 0.3 A 101 LEU H H 1 7.76 0.02 A 101 LEU C C 13 178.37 0.3 A 101 LEU CA C 13 56.05 0.3 A 101 LEU CB C 13 42.481 0.3 A 101 LEU N N 15 121.169 0.3 A 102 LEU H H 1 7.472 0.02 A 102 LEU C C 13 176.025 0.3 A 102 LEU CA C 13 55.082 0.3 A 102 LEU CB C 13 43.313 0.3 A 102 LEU N N 15 115.881 0.3 A 103 SER H H 1 7.962 0.02 A 103 SER C C 13 177.16 0.3 A 103 SER CA C 13 61.265 0.3 A 103 SER CB C 13 64.34 0.3 A 103 SER N N 15 126.115 0.3 A 104 ASP H H 1 8.988 0.02 A 104 ASP C C 13 177.689 0.3 A 104 ASP CA C 13 56.809 0.3 A 104 ASP CB C 13 38.686 0.3 A 104 ASP N N 15 119.77 0.3 A 105 GLU H H 1 7.964 0.02 A 105 GLU C C 13 178.257 0.3 A 105 GLU CA C 13 60.889 0.3 A 105 GLU CB C 13 27.204 0.3 A 105 GLU N N 15 123.658 0.3 A 106 PHE H H 1 7.906 0.02 A 106 PHE C C 13 178.597 0.3 A 106 PHE CA C 13 61.268 0.3 A 106 PHE CB C 13 37.737 0.3 A 106 PHE N N 15 118.409 0.3 A 107 LYS H H 1 7.694 0.02 A 107 LYS C C 13 176.933 0.3 A 107 LYS CA C 13 58.042 0.3 A 107 LYS CB C 13 31.379 0.3 A 107 LYS N N 15 119.416 0.3 A 108 ALA H H 1 7.477 0.02 A 108 ALA C C 13 176.214 0.3 A 108 ALA CA C 13 51.59 0.3 A 108 ALA CB C 13 18.475 0.3 A 108 ALA N N 15 120.329 0.3 A 109 GLY H H 1 7.488 0.02 A 109 GLY C C 13 173.642 0.3 A 109 GLY CA C 13 44.758 0.3 A 109 GLY N N 15 104.704 0.3 A 110 LEU H H 1 7.805 0.02 A 110 LEU C C 13 174.323 0.3 A 110 LEU CA C 13 55.575 0.3 A 110 LEU CB C 13 41.437 0.3 A 110 LEU N N 15 123.173 0.3 A 111 HIS H H 1 9.452 0.02 A 111 HIS C C 13 174.474 0.3 A 111 HIS CA C 13 55.575 0.3 A 111 HIS CB C 13 30.051 0.3 A 111 HIS N N 15 124.289 0.3 A 112 ALA H H 1 7.9 0.02 A 112 ALA C C 13 173.831 0.3 A 112 ALA CA C 13 51.495 0.3 A 112 ALA CB C 13 22.27 0.3 A 112 ALA N N 15 119.264 0.3 A 113 LEU H H 1 8.694 0.02 A 113 LEU C C 13 175.586 0.3 A 113 LEU CA C 13 51.88 0.3 A 113 LEU CB C 13 48.399 0.3 A 113 LEU N N 15 120.243 0.3 A 114 ALA H H 1 8.302 0.02 A 114 ALA C C 13 176.857 0.3 A 114 ALA CA C 13 56.151 0.3 A 114 ALA CB C 13 18.369 0.3 A 114 ALA N N 15 118.869 0.3 A 115 MET H H 1 8.941 0.02 A 115 MET C C 13 174.777 0.3 A 115 MET CA C 13 54.531 0.3 A 115 MET CB C 13 36.883 0.3 A 115 MET N N 15 122.739 0.3 A 116 THR H H 1 8.725 0.02 A 116 THR C C 13 173.642 0.3 A 116 THR CA C 13 61.363 0.3 A 116 THR CB C 13 69.808 0.3 A 116 THR N N 15 119.563 0.3 A 117 THR H H 1 9.045 0.02 A 117 THR C C 13 174.814 0.3 A 117 THR CA C 13 58 0.3 A 117 THR CB C 13 69.144 0.3 A 117 THR N N 15 117.42 0.3 A 118 LYS H H 1 8.604 0.02 A 118 LYS C C 13 175.117 0.3 A 118 LYS CA C 13 54.247 0.3 A 118 LYS CB C 13 36.313 0.3 A 118 LYS N N 15 125.33 0.3 A 119 THR H H 1 8.604 0.02 A 119 THR C C 13 175.811 0.3 A 119 THR CA C 13 58.801 0.3 A 119 THR CB C 13 67.056 0.3 A 119 THR N N 15 111.934 0.3 A 120 PRO C C 13 176.29 0.3 A 121 ALA H H 1 7.703 0.02 A 121 ALA C C 13 177.803 0.3 A 121 ALA CA C 13 52.064 0.3 A 121 ALA CB C 13 18.475 0.3 A 121 ALA N N 15 116.789 0.3 A 122 GLU H H 1 7.518 0.02 A 122 GLU C C 13 175.344 0.3 A 122 GLU CA C 13 55.385 0.3 A 122 GLU CB C 13 29.766 0.3 A 122 GLU N N 15 119.118 0.3 A 123 GLN H H 1 7.825 0.02 A 123 GLN C C 13 181.273 0.3 A 123 GLN CA C 13 57.188 0.3 A 123 GLN CB C 13 29.197 0.3 A 123 GLN N N 15 125.396 0.3 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 24 MET H A 24 MET HA 1.0 . 5.0 2 2 A 24 MET HA A 25 ALA H 1.0 . 5.0 3 3 A 25 ALA H A 24 MET HGy 1.0 . 5.0 4 4 A 25 ALA HA A 26 GLU H 1.0 . 5.0 5 5 A 26 GLU HA A 27 HIS H 1.0 . 5.0 6 6 A 27 HIS H A 26 GLU HGx 1.0 . 5.0 7 7 A 28 GLN HA A 29 LEU H 1.0 . 5.0 8 8 A 29 LEU HA A 30 GLY H 1.0 . 5.0 9 9 A 30 GLY H A 29 LEU HG 1.0 . 5.0 10 10 A 32 ILE HA A 33 ALA H 1.0 . 5.0 11 11 A 32 ILE HD11 A 52 ILE HA 1.0 . 5.5 12 12 A 33 ALA HA A 34 GLY H 1.0 . 5.0 13 13 A 33 ALA HA A 36 ILE H 1.0 . 5.0 14 14 A 33 ALA HA A 34 GLY HAx 1.0 . 5.0 15 15 A 33 ALA HA A 36 ILE HG21 1.0 . 5.2 16 16 A 33 ALA HA A 36 ILE HD11 1.0 . 5.2 17 17 A 33 ALA HA A 36 ILE HB 1.0 . 5.0 18 18 A 34 GLY HAx A 35 ALA H 1.0 . 5.0 19 19 A 35 ALA H A 34 GLY HAy 1.0 . 5.0 20 20 A 34 GLY HAx A 37 LYS HGx 1.0 . 5.9 21 21 A 34 GLY H A 35 ALA H 1.0 . 5.0 22 22 A 34 GLY HAx A 104 ASP HBx 1.0 . 5.8 23 23 A 34 GLY HAy A 37 LYS HBx 1.0 . 5.0 24 24 A 34 GLY HAy A 35 ALA HB1 1.0 . 5.0 25 25 A 36 ILE H A 34 GLY HAx 1.0 . 5.0 26 26 A 36 ILE H A 35 ALA HA 1.0 . 3.5 27 27 A 35 ALA HA A 38 SER H 1.0 . 5.0 28 28 A 36 ILE H A 35 ALA H 1.0 . 3.5 29 29 A 35 ALA HB1 A 104 ASP H 1.0 . 5.0 30 30 A 35 ALA H A 104 ASP HBx 1.0 . 5.4 31 31 A 35 ALA H A 103 SER HBx 1.0 . 5.0 32 32 A 35 ALA H A 103 SER HBx 1.0 . 5.0 33 33 A 35 ALA HB1 A 103 SER HBx 1.0 . 5.0 34 34 A 35 ALA HA A 103 SER HG 1.0 . 5.0 35 35 A 35 ALA HA A 103 SER HBx 1.0 . 5.0 36 36 A 35 ALA HB1 A 103 SER H 1.0 . 5.2 37 37 A 35 ALA HA A 38 SER H 1.0 . 5.0 38 38 A 35 ALA HA A 38 SER HG 1.0 . 5.6 39 39 A 35 ALA HA A 39 LYS H 1.0 . 5.6 40 40 A 35 ALA HB1 A 101 LEU HA 1.0 . 5.0 41 41 A 35 ALA HB1 A 79 LEU HD21 1.0 . 6.0 42 42 A 35 ALA HB1 A 79 LEU HG 1.0 . 5.0 43 43 A 35 ALA HB1 A 100 GLY HAx 1.0 . 5.0 44 44 A 36 ILE HA A 37 LYS H 1.0 . 3.5 45 45 A 36 ILE H A 37 LYS H 1.0 . 2.8 46 46 A 39 LYS H A 36 ILE HA 1.0 . 5.0 47 47 A 37 LYS H A 36 ILE HG21 1.0 . 5.0 48 48 A 36 ILE HG21 A 39 LYS HGx 1.0 . 5.3 49 49 A 36 ILE HA A 39 LYS HGx 1.0 . 5.0 50 50 A 39 LYS H A 36 ILE HG21 1.0 . 5.5 51 51 A 36 ILE HA A 39 LYS HBx 1.0 . 5.2 52 52 A 36 ILE HA A 39 LYS HBx 1.0 . 5.2 53 53 A 36 ILE HB A 51 LEU HD21 1.0 . 6.0 54 54 A 36 ILE HG21 A 51 LEU HD21 1.0 . 5.0 55 55 A 36 ILE H A 51 LEU HD21 1.0 . 5.4 56 56 A 36 ILE HG21 A 51 LEU HD11 1.0 . 6.2 57 57 A 36 ILE H A 51 LEU HD11 1.0 . 5.0 58 58 A 36 ILE HG21 A 40 VAL H 1.0 . 5.8 59 59 A 36 ILE HA A 40 VAL H 1.0 . 5.0 60 60 A 36 ILE HA A 40 VAL HB 1.0 . 5.8 61 61 A 36 ILE HA A 51 LEU HD11 1.0 . 5.2 62 62 A 36 ILE HG21 A 51 LEU HD21 1.0 . 5.2 63 63 A 38 SER H A 37 LYS HA 1.0 . 3.5 64 64 A 37 LYS HGx A 38 SER H 1.0 . 5.0 65 65 A 38 SER H A 37 LYS H 1.0 . 2.8 66 66 A 40 VAL H A 37 LYS HA 1.0 . 5.0 67 67 A 37 LYS HA A 40 VAL HG21 1.0 . 5.0 68 68 A 40 VAL HB A 37 LYS HA 1.0 . 5.0 69 69 A 37 LYS HA A 41 GLU H 1.0 . 5.0 70 70 A 37 LYS HGx A 40 VAL HG21 1.0 . 5.3 71 71 A 37 LYS HA A 40 VAL HG21 1.0 . 5.0 72 72 A 39 LYS H A 38 SER HA 1.0 . 3.5 73 73 A 38 SER HG A 39 LYS H 1.0 . 5.0 74 74 A 38 SER H A 39 LYS H 1.0 . 3.0 75 75 A 41 GLU H A 38 SER HA 1.0 . 5.0 76 76 A 38 SER HA A 41 GLU HGy 1.0 . 5.2 77 77 A 38 SER HA A 41 GLU HBx 1.0 . 5.1 78 78 A 38 SER HA A 42 ALA H 1.0 . 5.6 79 79 A 38 SER HA A 41 GLU HBx 1.0 . 5.1 80 80 A 51 LEU HD11 A 38 SER HBx 1.0 . 5.2 81 81 A 38 SER HBy A 98 ILE HB 1.0 . 5.0 82 82 A 100 GLY HAx A 38 SER HBy 1.0 . 5.0 83 83 A 38 SER HA A 98 ILE HG1y 1.0 . 5.7 84 84 A 38 SER HG A 98 ILE HA 1.0 . 5.0 85 85 A 40 VAL H A 39 LYS HA 1.0 . 3.5 86 86 A 39 LYS HGx A 40 VAL H 1.0 . 5.0 87 87 A 40 VAL H A 39 LYS HDx 1.0 . 5.6 88 88 A 42 ALA H A 39 LYS HA 1.0 . 3.5 89 89 A 39 LYS HA A 42 ALA HB1 1.0 . 5.0 90 90 A 39 LYS HA A 43 ALA H 1.0 . 5.2 91 91 A 39 LYS H A 40 VAL H 1.0 . 2.8 92 92 A 39 LYS H A 49 PHE HBx 1.0 . 5.8 93 93 A 39 LYS HA A 49 PHE HBx 1.0 . 5.0 94 94 A 39 LYS HBx A 42 ALA H 1.0 . 5.3 95 95 A 39 LYS HBx A 43 ALA H 1.0 . 5.7 96 96 A 39 LYS HGx A 49 PHE HBx 1.0 . 5.0 97 97 A 39 LYS HDx A 50 LYS H 1.0 . 5.5 98 98 A 98 ILE HG1y A 39 LYS HA 1.0 . 5.7 99 99 A 39 LYS HA A 98 ILE HD11 1.0 . 5.0 100 100 A 98 ILE HD11 A 39 LYS HBy 1.0 . 5.1 101 101 A 39 LYS HBy A 79 LEU HD21 1.0 . 5.0 102 102 A 41 GLU H A 40 VAL HA 1.0 . 3.5 103 103 A 43 ALA H A 40 VAL HA 1.0 . 5.0 104 104 A 40 VAL HA A 43 ALA HB1 1.0 . 5.0 105 105 A 40 VAL HA A 44 LEU H 1.0 . 5.5 106 106 A 41 GLU H A 40 VAL HG11 1.0 . 5.0 107 107 A 40 VAL HG21 A 41 GLU H 1.0 . 5.0 108 108 A 40 VAL H A 41 GLU H 1.0 . 2.8 109 109 A 40 VAL HA A 43 ALA HB1 1.0 . 5.0 110 110 A 40 VAL HG21 A 43 ALA HB1 1.0 . 5.0 111 111 A 40 VAL HB A 43 ALA H 1.0 . 5.3 112 112 A 40 VAL HG21 A 43 ALA H 1.0 . 5.0 113 113 A 40 VAL HG11 A 44 LEU HD21 1.0 . 5.0 114 114 A 42 ALA H A 41 GLU HA 1.0 . 5.0 115 115 A 44 LEU H A 41 GLU HA 1.0 . 5.0 116 116 A 41 GLU HA A 44 LEU HBx 1.0 . 5.1 117 117 A 41 GLU HA A 44 LEU HD11 1.0 . 5.0 118 118 A 41 GLU HGy A 42 ALA H 1.0 . 5.0 119 119 A 41 GLU H A 42 ALA H 1.0 . 5.0 120 120 A 42 ALA H A 41 GLU HGx 1.0 . 5.0 121 121 A 41 GLU H A 98 ILE HB 1.0 . 5.7 122 122 A 98 ILE HB A 41 GLU HGx 1.0 . 5.0 123 123 A 44 LEU HD21 A 41 GLU HA 1.0 . 5.0 124 124 A 98 ILE HA A 41 GLU HBy 1.0 . 5.1 125 125 A 41 GLU HBy A 98 ILE HG21 1.0 . 5.0 126 126 A 43 ALA H A 42 ALA HA 1.0 . 5.0 127 127 A 42 ALA HB1 A 47 THR HG21 1.0 . 5.0 128 128 A 42 ALA HB1 A 97 LEU HD11 1.0 . 5.2 129 129 A 42 ALA H A 43 ALA H 1.0 . 5.0 130 130 A 44 LEU H A 42 ALA HA 1.0 . 5.0 131 131 A 42 ALA HB1 A 47 THR HB 1.0 . 5.4 132 132 A 42 ALA HB1 A 47 THR HG21 1.0 . 5.0 133 133 A 42 ALA HB1 A 49 PHE HDx 1.0 . 5.8 134 134 A 44 LEU H A 43 ALA HA 1.0 . 5.0 135 135 A 43 ALA H A 44 LEU H 1.0 . 5.0 136 136 A 43 ALA HA A 45 SER H 1.0 . 5.0 137 137 A 43 ALA HB1 A 44 LEU HD21 1.0 . 5.0 138 138 A 45 SER H A 44 LEU HA 1.0 . 5.0 139 139 A 44 LEU HBx A 45 SER H 1.0 . 5.0 140 140 A 45 SER H A 44 LEU HBy 1.0 . 5.0 141 141 A 44 LEU HD11 A 45 SER H 1.0 . 5.0 142 142 A 44 LEU H A 45 SER H 1.0 . 5.0 143 143 A 44 LEU H A 47 THR HG21 1.0 . 5.3 144 144 A 47 THR HG21 A 45 SER H 1.0 . 5.0 145 145 A 45 SER HBy A 47 THR H 1.0 . 5.0 146 146 A 47 THR HG21 A 45 SER HG 1.0 . 5.0 147 147 A 47 THR HA A 48 HIS H 1.0 . 5.0 148 148 A 47 THR HB A 48 HIS H 1.0 . 5.0 149 149 A 47 THR HG21 A 48 HIS H 1.0 . 5.0 150 150 A 47 THR H A 48 HIS H 1.0 . 5.0 151 151 A 47 THR HG21 A 83 SER H 1.0 . 5.8 152 152 A 47 THR H A 83 SER HBy 1.0 . 5.6 153 153 A 47 THR HG21 A 84 ASP H 1.0 . 6.0 154 154 A 48 HIS H A 47 THR HG1 1.0 . 5.0 155 155 A 83 SER H A 47 THR HG1 1.0 . 5.0 156 156 A 84 ASP H A 47 THR HG1 1.0 . 5.2 157 157 A 47 THR HB A 84 ASP H 1.0 . 5.0 158 158 A 47 THR HB A 82 THR H 1.0 . 5.8 159 159 A 47 THR HA A 83 SER HBx 1.0 . 5.0 160 160 A 47 THR HA A 83 SER H 1.0 . 5.2 161 161 A 47 THR HG21 A 94 ARG HDx 1.0 . 6.0 162 162 A 47 THR HA A 83 SER HA 1.0 . 5.0 163 163 A 47 THR HA A 84 ASP H 1.0 . 5.0 164 164 A 47 THR HB A 83 SER H 1.0 . 5.1 165 165 A 47 THR HB A 83 SER HBy 1.0 . 5.0 166 166 A 47 THR HB A 83 SER HG 1.0 . 5.0 167 167 A 47 THR HG21 A 48 HIS HA 1.0 . 5.0 168 168 A 47 THR HG21 A 82 THR H 1.0 . 5.2 169 169 A 47 THR HG21 A 83 SER HA 1.0 . 5.0 170 170 A 47 THR HG21 A 83 SER HBy 1.0 . 5.0 171 171 A 48 HIS HA A 49 PHE H 1.0 . 5.0 172 172 A 49 PHE H A 48 HIS HBx 1.0 . 5.0 173 173 A 48 HIS H A 82 THR H 1.0 . 3.5 174 174 A 82 THR H A 48 HIS HA 1.0 . 5.0 175 175 A 48 HIS H A 82 THR HA 1.0 . 5.0 176 176 A 48 HIS H A 81 VAL HB 1.0 . 5.2 177 177 A 48 HIS H A 81 VAL HA 1.0 . 5.0 178 178 A 48 HIS H A 82 THR HG21 1.0 . 5.0 179 179 A 48 HIS H A 81 VAL HG21 1.0 . 5.0 180 180 A 82 THR H A 48 HIS HBx 1.0 . 5.0 181 181 A 82 THR H A 48 HIS HBy 1.0 . 5.0 182 182 A 83 SER H A 48 HIS HBy 1.0 . 6.0 183 183 A 48 HIS HBx A 82 THR HB 1.0 . 5.0 184 184 A 48 HIS H A 82 THR HB 1.0 . 5.0 185 185 A 48 HIS HA A 82 THR HB 1.0 . 5.5 186 186 A 48 HIS HBy A 82 THR HB 1.0 . 5.0 187 187 A 82 THR HG21 A 48 HIS HBy 1.0 . 5.0 188 188 A 48 HIS H A 82 THR H 1.0 . 5.0 189 189 A 48 HIS H A 83 SER HA 1.0 . 5.0 190 190 A 48 HIS H A 84 ASP H 1.0 . 5.0 191 191 A 81 VAL HA A 48 HIS HBy 1.0 . 5.0 192 192 A 82 THR HA A 48 HIS HBy 1.0 . 5.2 193 193 A 48 HIS H A 81 VAL HG21 1.0 . 5.0 194 194 A 48 HIS H A 83 SER H 1.0 . 5.0 195 195 A 48 HIS H A 83 SER HBy 1.0 . 5.0 196 196 A 50 LYS H A 49 PHE HA 1.0 . 5.0 197 197 A 49 PHE HBx A 50 LYS H 1.0 . 5.0 198 198 A 50 LYS H A 49 PHE HBy 1.0 . 5.0 199 199 A 49 PHE H A 81 VAL HA 1.0 . 5.0 200 200 A 81 VAL HA A 49 PHE HA 1.0 . 5.0 201 201 A 81 VAL HB A 49 PHE HA 1.0 . 5.0 202 202 A 49 PHE HBx A 81 VAL HA 1.0 . 5.0 203 203 A 82 THR H A 49 PHE HA 1.0 . 5.0 204 204 A 49 PHE HA A 80 GLU H 1.0 . 5.0 205 205 A 49 PHE H A 81 VAL HB 1.0 . 5.4 206 206 A 81 VAL HB A 49 PHE HA 1.0 . 5.0 207 207 A 49 PHE H A 81 VAL HB 1.0 . 5.4 208 208 A 50 LYS H A 49 PHE H 1.0 . 5.0 209 209 A 82 THR H A 49 PHE H 1.0 . 5.0 210 210 A 49 PHE HA A 50 LYS HBy 1.0 . 5.0 211 211 A 81 VAL HB A 49 PHE HBy 1.0 . 5.0 212 212 A 81 VAL HG21 A 49 PHE HBy 1.0 . 5.7 213 213 A 98 ILE HD11 A 49 PHE HBy 1.0 . 5.0 214 214 A 50 LYS HA A 51 LEU H 1.0 . 5.0 215 215 A 51 LEU H A 50 LYS HBx 1.0 . 5.0 216 216 A 51 LEU H A 50 LYS HGx 1.0 . 5.0 217 217 A 80 GLU H A 50 LYS HA 1.0 . 5.0 218 218 A 80 GLU H A 50 LYS HGx 1.0 . 5.0 219 219 A 50 LYS H A 80 GLU HBx 1.0 . 5.5 220 220 A 50 LYS H A 81 VAL HA 1.0 . 5.0 221 221 A 80 GLU H A 50 LYS HDx 1.0 . 5.0 222 222 A 50 LYS H A 51 LEU H 1.0 . 5.0 223 223 A 80 GLU H A 50 LYS HGx 1.0 . 5.0 224 224 A 80 GLU H A 50 LYS HDx 1.0 . 5.0 225 225 A 50 LYS HGx A 80 GLU HBx 1.0 . 5.4 226 226 A 50 LYS H A 80 GLU HA 1.0 . 5.1 227 227 A 50 LYS H A 80 GLU HBy 1.0 . 5.5 228 228 A 50 LYS H A 81 VAL H 1.0 . 5.0 229 229 A 50 LYS H A 81 VAL HB 1.0 . 5.0 230 230 A 50 LYS H A 81 VAL HG11 1.0 . 5.0 231 231 A 50 LYS H A 82 THR H 1.0 . 5.2 232 232 A 80 GLU H A 50 LYS HA 1.0 . 5.0 233 233 A 80 GLU H A 50 LYS HBy 1.0 . 5.0 234 234 A 50 LYS HBy A 80 GLU HBy 1.0 . 5.0 235 235 A 50 LYS HDy A 52 ILE HG21 1.0 . 5.0 236 236 A 50 LYS HDy A 79 LEU HA 1.0 . 5.8 237 237 A 80 GLU HBy A 50 LYS HDy 1.0 . 5.8 238 238 A 50 LYS HDy A 80 GLU HGy 1.0 . 5.2 239 239 A 51 LEU HA A 52 ILE H 1.0 . 5.0 240 240 A 52 ILE H A 51 LEU HBx 1.0 . 5.0 241 241 A 51 LEU H A 52 ILE H 1.0 . 5.0 242 242 A 51 LEU HD11 A 52 ILE H 1.0 . 5.0 243 243 A 51 LEU HD21 A 52 ILE H 1.0 . 5.0 244 244 A 80 GLU H A 51 LEU HA 1.0 . 5.0 245 245 A 79 LEU HA A 51 LEU HA 1.0 . 5.0 246 246 A 79 LEU HG A 51 LEU HA 1.0 . 5.2 247 247 A 51 LEU HBx A 79 LEU H 1.0 . 6.6 248 248 A 51 LEU HD21 A 78 ARG H 1.0 . 5.2 249 249 A 51 LEU HA A 79 LEU HBx 1.0 . 5.0 250 250 A 51 LEU HD11 A 100 GLY H 1.0 . 5.5 251 251 A 51 LEU H A 52 ILE HG21 1.0 . 5.0 252 252 A 51 LEU H A 79 LEU HD21 1.0 . 5.0 253 253 A 52 ILE HA A 51 LEU HA 1.0 . 5.0 254 254 A 52 ILE HG21 A 51 LEU HA 1.0 . 5.0 255 255 A 51 LEU HA A 79 LEU H 1.0 . 5.1 256 256 A 51 LEU HA A 79 LEU HD11 1.0 . 5.1 257 257 A 79 LEU HD11 A 51 LEU HBy 1.0 . 5.9 258 258 A 52 ILE H A 51 LEU HG 1.0 . 5.0 259 259 A 78 ARG H A 51 LEU HG 1.0 . 5.0 260 260 A 79 LEU HD11 A 51 LEU HG 1.0 . 5.6 261 261 A 101 LEU HA A 51 LEU HD11 1.0 . 5.0 262 262 A 51 LEU HD11 A 101 LEU HD11 1.0 . 5.1 263 263 A 51 LEU HD11 A 98 ILE HD11 1.0 . 5.0 264 264 A 52 ILE HA A 53 ASN H 1.0 . 5.0 265 265 A 79 LEU HA A 52 ILE H 1.0 . 5.0 266 266 A 52 ILE H A 78 ARG H 1.0 . 3.5 267 267 A 52 ILE HA A 78 ARG H 1.0 . 5.0 268 268 A 78 ARG H A 52 ILE HB 1.0 . 5.4 269 269 A 52 ILE H A 78 ARG HBx 1.0 . 5.5 270 270 A 52 ILE H A 78 ARG HGx 1.0 . 5.0 271 271 A 53 ASN H A 52 ILE HB 1.0 . 5.0 272 272 A 52 ILE HG21 A 53 ASN H 1.0 . 5.0 273 273 A 52 ILE H A 77 PHE HA 1.0 . 5.0 274 274 A 52 ILE HG21 A 78 ARG HDx 1.0 . 5.0 275 275 A 52 ILE HB A 78 ARG HGx 1.0 . 5.0 276 276 A 52 ILE HA A 78 ARG HGx 1.0 . 5.7 277 277 A 78 ARG H A 52 ILE HD11 1.0 . 5.0 278 278 A 52 ILE HD11 A 77 PHE H 1.0 . 5.0 279 279 A 52 ILE H A 53 ASN H 1.0 . 5.0 280 280 A 52 ILE H A 78 ARG H 1.0 . 5.0 281 281 A 52 ILE H A 78 ARG HBy 1.0 . 5.0 282 282 A 79 LEU HA A 52 ILE H 1.0 . 5.0 283 283 A 52 ILE HG21 A 78 ARG H 1.0 . 5.1 284 284 A 78 ARG H A 52 ILE HD11 1.0 . 5.0 285 285 A 77 PHE HA A 52 ILE HD11 1.0 . 5.0 286 286 A 52 ILE HG21 A 78 ARG HGy 1.0 . 5.2 287 287 A 53 ASN HA A 54 ASP H 1.0 . 5.0 288 288 A 54 ASP H A 53 ASN HBy 1.0 . 5.0 289 289 A 78 ARG H A 53 ASN HBx 1.0 . 5.9 290 290 A 77 PHE H A 53 ASN HBx 1.0 . 6.3 291 291 A 78 ARG H A 53 ASN HA 1.0 . 5.0 292 292 A 53 ASN H A 77 PHE HA 1.0 . 5.0 293 293 A 77 PHE HA A 53 ASN HA 1.0 . 5.0 294 294 A 77 PHE HA A 53 ASN HBx 1.0 . 5.0 295 295 A 53 ASN HA A 77 PHE HBx 1.0 . 5.0 296 296 A 53 ASN HA A 76 HIS H 1.0 . 6.2 297 297 A 53 ASN HBx A 105 GLU H 1.0 . 5.8 298 298 A 77 PHE H A 53 ASN HA 1.0 . 5.0 299 299 A 53 ASN HA A 76 HIS HA 1.0 . 5.7 300 300 A 53 ASN H A 54 ASP H 1.0 . 5.0 301 301 A 53 ASN HA A 76 HIS HBy 1.0 . 6.2 302 302 A 77 PHE H A 53 ASN HA 1.0 . 5.0 303 303 A 77 PHE HA A 53 ASN HA 1.0 . 5.0 304 304 A 53 ASN HA A 77 PHE HBy 1.0 . 5.0 305 305 A 53 ASN HBy A 104 ASP HBy 1.0 . 5.0 306 306 A 78 ARG H A 53 ASN H 1.0 . 5.2 307 307 A 77 PHE H A 53 ASN HA 1.0 . 5.0 308 308 A 54 ASP HA A 55 SER H 1.0 . 5.0 309 309 A 55 SER H A 54 ASP HBx 1.0 . 5.0 310 310 A 55 SER H A 54 ASP HBy 1.0 . 5.0 311 311 A 54 ASP H A 55 SER H 1.0 . 5.0 312 312 A 77 PHE HA A 54 ASP H 1.0 . 5.0 313 313 A 54 ASP H A 108 ALA HB1 1.0 . 5.6 314 314 A 54 ASP HBx A 108 ALA HB1 1.0 . 6.3 315 315 A 54 ASP HBx A 76 HIS HD1 1.0 . 5.2 316 316 A 77 PHE HA A 54 ASP H 1.0 . 5.0 317 317 A 76 HIS HBy A 54 ASP HBy 1.0 . 5.0 318 318 A 54 ASP H A 55 SER H 1.0 . 5.0 319 319 A 54 ASP H A 76 HIS HA 1.0 . 5.0 320 320 A 54 ASP H A 76 HIS HBy 1.0 . 5.0 321 321 A 54 ASP H A 76 HIS HD2 1.0 . 5.5 322 322 A 77 PHE H A 54 ASP HBy 1.0 . 6.1 323 323 A 77 PHE H A 54 ASP H 1.0 . 5.0 324 324 A 77 PHE HA A 55 SER H 1.0 . 5.8 325 325 A 55 SER HA A 56 HIS H 1.0 . 5.0 326 326 A 56 HIS H A 55 SER HBx 1.0 . 5.0 327 327 A 56 HIS H A 55 SER HBy 1.0 . 5.0 328 328 A 55 SER HBx A 107 LYS HGx 1.0 . 5.3 329 329 A 108 ALA HB1 A 55 SER HG 1.0 . 5.0 330 330 A 55 SER H A 56 HIS H 1.0 . 5.0 331 331 A 55 SER H A 105 GLU HA 1.0 . 6.0 332 332 A 55 SER HA A 105 GLU HA 1.0 . 5.3 333 333 A 55 SER HA A 107 LYS HBy 1.0 . 5.7 334 334 A 55 SER HA A 108 ALA HA 1.0 . 5.1 335 335 A 108 ALA HB1 A 55 SER HA 1.0 . 5.0 336 336 A 55 SER HBy A 56 HIS HA 1.0 . 5.2 337 337 A 55 SER HA A 56 HIS HBy 1.0 . 5.0 338 338 A 55 SER HBy A 107 LYS HBy 1.0 . 5.8 339 339 A 55 SER HG A 56 HIS HA 1.0 . 5.0 340 340 A 55 SER HG A 107 LYS HDx 1.0 . 5.0 341 341 A 108 ALA HB1 A 55 SER HG 1.0 . 5.4 342 342 A 56 HIS HA A 57 LYS H 1.0 . 5.0 343 343 A 57 LYS H A 56 HIS HBx 1.0 . 5.0 344 344 A 56 HIS H A 57 LYS H 1.0 . 5.0 345 345 A 56 HIS H A 57 LYS HA 1.0 . 5.0 346 346 A 56 HIS H A 108 ALA HA 1.0 . 5.0 347 347 A 108 ALA HB1 A 56 HIS H 1.0 . 5.0 348 348 A 56 HIS HA A 57 LYS H 1.0 . 5.0 349 349 A 56 HIS HA A 57 LYS HGy 1.0 . 5.0 350 350 A 108 ALA HB1 A 56 HIS HA 1.0 . 5.3 351 351 A 56 HIS HBy A 57 LYS H 1.0 . 5.0 352 352 A 108 ALA HA A 56 HIS HBy 1.0 . 5.0 353 353 A 56 HIS HA A 57 LYS HGy 1.0 . 5.0 354 354 A 57 LYS HA A 58 HIS H 1.0 . 5.0 355 355 A 58 HIS H A 57 LYS HGx 1.0 . 5.0 356 356 A 57 LYS HGy A 58 HIS H 1.0 . 5.0 357 357 A 57 LYS H A 58 HIS H 1.0 . 5.0 358 358 A 58 HIS H A 57 LYS HDx 1.0 . 5.0 359 359 A 58 HIS H A 57 LYS HBx 1.0 . 5.0 360 360 A 58 HIS H A 57 LYS HBy 1.0 . 5.0 361 361 A 57 LYS HBy A 58 HIS HA 1.0 . 5.0 362 362 A 58 HIS HA A 59 ALA H 1.0 . 5.0 363 363 A 59 ALA H A 58 HIS HBx 1.0 . 5.0 364 364 A 58 HIS H A 59 ALA H 1.0 . 5.0 365 365 A 58 HIS HA A 59 ALA HB1 1.0 . 5.0 366 366 A 59 ALA HB1 A 58 HIS HBy 1.0 . 5.0 367 367 A 59 ALA HB1 A 58 HIS HBy 1.0 . 5.0 368 368 A 59 ALA HA A 60 GLY H 1.0 . 5.0 369 369 A 59 ALA HB1 A 60 GLY H 1.0 . 5.0 370 370 A 59 ALA HB1 A 62 TYR H 1.0 . 5.0 371 371 A 59 ALA H A 60 GLY H 1.0 . 5.0 372 372 A 59 ALA HB1 A 60 GLY HAx 1.0 . 5.0 373 373 A 60 GLY HAx A 61 HIS H 1.0 . 5.0 374 374 A 61 HIS H A 60 GLY HAy 1.0 . 5.0 375 375 A 62 TYR H A 60 GLY HAy 1.0 . 5.0 376 376 A 60 GLY H A 61 HIS HA 1.0 . 5.0 377 377 A 60 GLY HAx A 61 HIS HBy 1.0 . 5.1 378 378 A 62 TYR H A 61 HIS HA 1.0 . 5.0 379 379 A 62 TYR H A 61 HIS HBx 1.0 . 5.0 380 380 A 62 TYR H A 61 HIS HBy 1.0 . 5.0 381 381 A 62 TYR H A 61 HIS H 1.0 . 5.0 382 382 A 61 HIS H A 62 TYR HA 1.0 . 5.2 383 383 A 61 HIS HA A 62 TYR HA 1.0 . 5.0 384 384 A 62 TYR HA A 63 ALA H 1.0 . 5.0 385 385 A 63 ALA H A 62 TYR HBx 1.0 . 5.0 386 386 A 63 ALA H A 62 TYR HBy 1.0 . 5.0 387 387 A 62 TYR H A 63 ALA HB1 1.0 . 5.0 388 388 A 62 TYR H A 63 ALA H 1.0 . 5.0 389 389 A 62 TYR HA A 63 ALA HB1 1.0 . 5.0 390 390 A 62 TYR HBy A 63 ALA HA 1.0 . 5.2 391 391 A 63 ALA HA A 64 ARG H 1.0 . 5.0 392 392 A 63 ALA HB1 A 64 ARG H 1.0 . 5.0 393 393 A 63 ALA HB1 A 65 ASP H 1.0 . 5.2 394 394 A 63 ALA H A 64 ARG H 1.0 . 5.0 395 395 A 63 ALA HB1 A 64 ARG HA 1.0 . 5.0 396 396 A 63 ALA HA A 64 ARG HBy 1.0 . 5.2 397 397 A 63 ALA HB1 A 65 ASP H 1.0 . 5.2 398 398 A 65 ASP H A 64 ARG HA 1.0 . 5.0 399 399 A 65 ASP H A 64 ARG HBx 1.0 . 5.0 400 400 A 65 ASP H A 64 ARG HGx 1.0 . 5.0 401 401 A 65 ASP H A 64 ARG HBy 1.0 . 5.0 402 402 A 64 ARG HA A 66 GLY H 1.0 . 5.2 403 403 A 64 ARG H A 65 ASP H 1.0 . 5.0 404 404 A 64 ARG HBy A 65 ASP HBy 1.0 . 5.2 405 405 A 64 ARG HA A 65 ASP HBy 1.0 . 5.2 406 406 A 65 ASP H A 64 ARG HDx 1.0 . 5.0 407 407 A 66 GLY H A 65 ASP HA 1.0 . 5.0 408 408 A 66 GLY H A 65 ASP HBx 1.0 . 5.0 409 409 A 66 GLY H A 65 ASP HBy 1.0 . 5.0 410 410 A 65 ASP H A 66 GLY H 1.0 . 5.0 411 411 A 65 ASP H A 66 GLY HAx 1.0 . 5.1 412 412 A 65 ASP H A 67 SER HBy 1.0 . 5.0 413 413 A 65 ASP HA A 66 GLY HAy 1.0 . 5.0 414 414 A 66 GLY HAx A 67 SER H 1.0 . 5.0 415 415 A 66 GLY HAy A 67 SER H 1.0 . 5.0 416 416 A 66 GLY H A 67 SER H 1.0 . 5.0 417 417 A 66 GLY HAx A 67 SER HBy 1.0 . 5.0 418 418 A 67 SER HA A 68 THR H 1.0 . 5.0 419 419 A 68 THR H A 67 SER HBx 1.0 . 5.0 420 420 A 67 SER HBy A 68 THR H 1.0 . 5.0 421 421 A 67 SER HBx A 69 ALA H 1.0 . 5.0 422 422 A 67 SER HBy A 69 ALA H 1.0 . 5.2 423 423 A 67 SER H A 68 THR H 1.0 . 5.0 424 424 A 67 SER H A 68 THR HA 1.0 . 5.0 425 425 A 67 SER HA A 68 THR HG21 1.0 . 5.4 426 426 A 67 SER HA A 69 ALA H 1.0 . 5.2 427 427 A 68 THR H A 67 SER HG 1.0 . 5.0 428 428 A 67 SER HG A 69 ALA HB1 1.0 . 5.0 429 429 A 69 ALA H A 68 THR HA 1.0 . 5.0 430 430 A 69 ALA H A 68 THR HB 1.0 . 5.0 431 431 A 69 ALA H A 68 THR HG21 1.0 . 5.0 432 432 A 68 THR HG21 A 70 SER H 1.0 . 5.0 433 433 A 68 THR H A 69 ALA HB1 1.0 . 5.0 434 434 A 68 THR H A 69 ALA H 1.0 . 5.0 435 435 A 68 THR H A 69 ALA HB1 1.0 . 5.0 436 436 A 68 THR HA A 69 ALA HB1 1.0 . 5.0 437 437 A 68 THR HG21 A 69 ALA HB1 1.0 . 5.0 438 438 A 68 THR H A 69 ALA HB1 1.0 . 5.0 439 439 A 68 THR HA A 69 ALA HB1 1.0 . 5.0 440 440 A 68 THR HG21 A 69 ALA HB1 1.0 . 5.0 441 441 A 69 ALA HB1 A 70 SER H 1.0 . 5.0 442 442 A 69 ALA H A 70 SER H 1.0 . 5.0 443 443 A 69 ALA HA A 70 SER HBy 1.0 . 5.0 444 444 A 70 SER HA A 71 ASP H 1.0 . 5.0 445 445 A 71 ASP H A 70 SER HBx 1.0 . 5.0 446 446 A 70 SER H A 71 ASP HBx 1.0 . 5.0 447 447 A 70 SER H A 71 ASP H 1.0 . 5.0 448 448 A 70 SER H A 71 ASP HBy 1.0 . 5.2 449 449 A 70 SER HBy A 71 ASP HA 1.0 . 5.0 450 450 A 70 SER HG A 72 ALA H 1.0 . 5.4 451 451 A 70 SER HG A 72 ALA HB1 1.0 . 5.0 452 452 A 70 SER HBy A 71 ASP HA 1.0 . 5.0 453 453 A 71 ASP HA A 72 ALA H 1.0 . 5.0 454 454 A 71 ASP HBy A 72 ALA H 1.0 . 5.0 455 455 A 71 ASP H A 72 ALA H 1.0 . 5.0 456 456 A 71 ASP H A 72 ALA HB1 1.0 . 5.0 457 457 A 71 ASP HBx A 111 HIS H 1.0 . 5.0 458 458 A 71 ASP HA A 74 GLU HBy 1.0 . 5.0 459 459 A 71 ASP HA A 110 LEU HA 1.0 . 5.0 460 460 A 71 ASP HBy A 72 ALA HA 1.0 . 5.2 461 461 A 71 ASP HBy A 74 GLU H 1.0 . 5.2 462 462 A 71 ASP HBy A 72 ALA HA 1.0 . 5.2 463 463 A 71 ASP HBy A 110 LEU HD11 1.0 . 5.0 464 464 A 72 ALA HA A 73 GLY H 1.0 . 5.0 465 465 A 72 ALA HB1 A 73 GLY H 1.0 . 5.0 466 466 A 72 ALA HB1 A 74 GLU H 1.0 . 5.0 467 467 A 72 ALA H A 74 GLU H 1.0 . 5.0 468 468 A 72 ALA H A 74 GLU HBy 1.0 . 5.0 469 469 A 72 ALA HB1 A 73 GLY H 1.0 . 5.0 470 470 A 72 ALA HB1 A 73 GLY HAx 1.0 . 5.0 471 471 A 74 GLU H A 73 GLY HAx 1.0 . 5.0 472 472 A 73 GLY H A 75 THR HG21 1.0 . 5.0 473 473 A 74 GLU H A 73 GLY H 1.0 . 5.0 474 474 A 73 GLY H A 75 THR H 1.0 . 5.0 475 475 A 73 GLY HAx A 75 THR H 1.0 . 5.2 476 476 A 73 GLY HAx A 75 THR HG21 1.0 . 5.0 477 477 A 74 GLU H A 73 GLY HAy 1.0 . 5.0 478 478 A 73 GLY HAx A 74 GLU HA 1.0 . 5.0 479 479 A 75 THR H A 74 GLU HA 1.0 . 5.0 480 480 A 75 THR H A 74 GLU HBx 1.0 . 5.0 481 481 A 74 GLU HBy A 75 THR H 1.0 . 5.0 482 482 A 74 GLU H A 75 THR H 1.0 . 5.0 483 483 A 74 GLU H A 75 THR HG21 1.0 . 5.0 484 484 A 75 THR HG21 A 74 GLU HA 1.0 . 5.0 485 485 A 74 GLU HBy A 110 LEU HBy 1.0 . 5.0 486 486 A 74 GLU HBy A 75 THR HA 1.0 . 5.0 487 487 A 74 GLU HGy A 75 THR HG1 1.0 . 5.0 488 488 A 76 HIS H A 75 THR HA 1.0 . 5.0 489 489 A 76 HIS H A 75 THR HG21 1.0 . 5.0 490 490 A 76 HIS H A 75 THR HG1 1.0 . 5.0 491 491 A 77 PHE H A 75 THR HG1 1.0 . 5.2 492 492 A 75 THR H A 111 HIS HA 1.0 . 6.2 493 493 A 75 THR H A 111 HIS HBx 1.0 . 5.7 494 494 A 111 HIS H A 75 THR HG21 1.0 . 5.0 495 495 A 111 HIS HA A 75 THR HB 1.0 . 5.2 496 496 A 75 THR HG21 A 111 HIS HBx 1.0 . 5.0 497 497 A 111 HIS H A 75 THR HG21 1.0 . 5.0 498 498 A 75 THR HA A 110 LEU HBx 1.0 . 5.0 499 499 A 111 HIS H A 75 THR H 1.0 . 5.0 500 500 A 75 THR H A 111 HIS HBy 1.0 . 5.8 501 501 A 110 LEU HBy A 75 THR HA 1.0 . 5.0 502 502 A 111 HIS H A 75 THR HA 1.0 . 5.0 503 503 A 75 THR HA A 111 HIS HBy 1.0 . 5.0 504 504 A 75 THR HA A 112 ALA HA 1.0 . 5.0 505 505 A 76 HIS HA A 75 THR HB 1.0 . 5.0 506 506 A 75 THR HB A 111 HIS HBy 1.0 . 5.0 507 507 A 76 HIS HBy A 110 LEU H 1.0 . 6.8 508 508 A 76 HIS HBx A 110 LEU HD21 1.0 . 5.0 509 509 A 108 ALA HB1 A 76 HIS HD2 1.0 . 5.0 510 510 A 77 PHE H A 76 HIS H 1.0 . 5.0 511 511 A 76 HIS H A 105 GLU HGy 1.0 . 5.9 512 512 A 76 HIS H A 112 ALA HA 1.0 . 5.0 513 513 A 76 HIS HA A 112 ALA HA 1.0 . 6.1 514 514 A 76 HIS H A 112 ALA HB1 1.0 . 5.0 515 515 A 77 PHE H A 76 HIS HA 1.0 . 5.0 516 516 A 77 PHE H A 76 HIS HA 1.0 . 5.0 517 517 A 77 PHE H A 76 HIS HBy 1.0 . 5.0 518 518 A 76 HIS HBy A 110 LEU HG 1.0 . 5.0 519 519 A 77 PHE H A 112 ALA HA 1.0 . 5.0 520 520 A 78 ARG H A 77 PHE HA 1.0 . 5.0 521 521 A 78 ARG H A 77 PHE HBy 1.0 . 5.0 522 522 A 77 PHE H A 113 LEU H 1.0 . 5.0 523 523 A 77 PHE H A 112 ALA HB1 1.0 . 5.0 524 524 A 77 PHE H A 112 ALA H 1.0 . 6.1 525 525 A 77 PHE HA A 112 ALA HA 1.0 . 5.8 526 526 A 77 PHE HA A 112 ALA HB1 1.0 . 5.0 527 527 A 77 PHE HBx A 105 GLU HBx 1.0 . 5.0 528 528 A 77 PHE HBx A 105 GLU H 1.0 . 5.0 529 529 A 77 PHE HBx A 105 GLU HA 1.0 . 5.0 530 530 A 78 ARG H A 77 PHE H 1.0 . 5.0 531 531 A 77 PHE H A 105 GLU HA 1.0 . 5.0 532 532 A 77 PHE H A 105 GLU HBy 1.0 . 5.7 533 533 A 77 PHE H A 105 GLU HGy 1.0 . 5.9 534 534 A 77 PHE H A 110 LEU HD21 1.0 . 5.3 535 535 A 77 PHE H A 112 ALA HB1 1.0 . 5.0 536 536 A 77 PHE HA A 78 ARG HBy 1.0 . 5.0 537 537 A 77 PHE HBy A 105 GLU HGy 1.0 . 5.0 538 538 A 77 PHE HBy A 112 ALA HB1 1.0 . 5.0 539 539 A 113 LEU H A 78 ARG HA 1.0 . 5.0 540 540 A 79 LEU H A 78 ARG HA 1.0 . 5.0 541 541 A 79 LEU H A 78 ARG HBx 1.0 . 5.0 542 542 A 79 LEU H A 78 ARG HGx 1.0 . 5.0 543 543 A 78 ARG HA A 114 ALA HA 1.0 . 5.0 544 544 A 78 ARG HBx A 113 LEU H 1.0 . 5.0 545 545 A 78 ARG HA A 113 LEU HBx 1.0 . 5.2 546 546 A 78 ARG HBx A 113 LEU HD11 1.0 . 5.0 547 547 A 78 ARG HBx A 113 LEU HA 1.0 . 5.4 548 548 A 78 ARG HBx A 113 LEU HD11 1.0 . 5.0 549 549 A 78 ARG HGx A 113 LEU HG 1.0 . 5.2 550 550 A 78 ARG HBx A 113 LEU HG 1.0 . 5.0 551 551 A 78 ARG H A 112 ALA HB1 1.0 . 5.2 552 552 A 78 ARG HA A 79 LEU HBy 1.0 . 5.2 553 553 A 101 LEU HD11 A 78 ARG HA 1.0 . 5.4 554 554 A 112 ALA HB1 A 78 ARG HA 1.0 . 5.0 555 555 A 78 ARG HA A 113 LEU HG 1.0 . 5.0 556 556 A 78 ARG HA A 113 LEU HD11 1.0 . 5.0 557 557 A 113 LEU HD11 A 78 ARG HE 1.0 . 5.0 558 558 A 78 ARG HE A 115 MET HGy 1.0 . 5.7 559 559 A 79 LEU H A 114 ALA HA 1.0 . 5.0 560 560 A 80 GLU H A 79 LEU HA 1.0 . 5.0 561 561 A 79 LEU H A 115 MET H 1.0 . 5.0 562 562 A 80 GLU H A 79 LEU HBx 1.0 . 5.0 563 563 A 79 LEU HG A 80 GLU H 1.0 . 5.0 564 564 A 80 GLU H A 79 LEU HD11 1.0 . 5.0 565 565 A 79 LEU H A 114 ALA HB1 1.0 . 5.0 566 566 A 79 LEU H A 113 LEU HA 1.0 . 5.5 567 567 A 79 LEU HA A 114 ALA HB1 1.0 . 6.1 568 568 A 79 LEU HBx A 102 LEU H 1.0 . 6.2 569 569 A 79 LEU HG A 114 ALA HB1 1.0 . 5.6 570 570 A 79 LEU HD11 A 101 LEU HD11 1.0 . 5.2 571 571 A 80 GLU H A 79 LEU H 1.0 . 5.0 572 572 A 79 LEU H A 101 LEU HBy 1.0 . 6.5 573 573 A 79 LEU H A 101 LEU HD11 1.0 . 5.0 574 574 A 79 LEU H A 113 LEU H 1.0 . 5.0 575 575 A 79 LEU H A 114 ALA H 1.0 . 5.0 576 576 A 79 LEU H A 114 ALA HB1 1.0 . 5.0 577 577 A 79 LEU HA A 114 ALA HA 1.0 . 5.0 578 578 A 79 LEU HA A 101 LEU HD11 1.0 . 5.9 579 579 A 101 LEU HA A 79 LEU HBy 1.0 . 5.0 580 580 A 114 ALA HA A 79 LEU HBy 1.0 . 5.0 581 581 A 79 LEU HBy A 115 MET H 1.0 . 5.0 582 582 A 79 LEU HG A 100 GLY HAx 1.0 . 5.9 583 583 A 79 LEU HG A 101 LEU H 1.0 . 5.3 584 584 A 79 LEU HD11 A 114 ALA HA 1.0 . 5.1 585 585 A 80 GLU HA A 115 MET H 1.0 . 5.0 586 586 A 80 GLU HA A 81 VAL H 1.0 . 5.0 587 587 A 80 GLU HBy A 81 VAL H 1.0 . 5.0 588 588 A 80 GLU HA A 116 THR HA 1.0 . 5.0 589 589 A 80 GLU HA A 115 MET HGy 1.0 . 5.0 590 590 A 80 GLU HGx A 115 MET HBx 1.0 . 5.4 591 591 A 80 GLU HA A 115 MET HBx 1.0 . 5.0 592 592 A 80 GLU HGx A 115 MET HE1 1.0 . 5.2 593 593 A 80 GLU HGx A 115 MET HBx 1.0 . 5.4 594 594 A 115 MET HGy A 80 GLU HGx 1.0 . 5.2 595 595 A 80 GLU HBx A 115 MET HGy 1.0 . 5.0 596 596 A 80 GLU H A 81 VAL H 1.0 . 5.0 597 597 A 80 GLU H A 81 VAL HG11 1.0 . 5.0 598 598 A 80 GLU HA A 81 VAL HG11 1.0 . 5.0 599 599 A 80 GLU HA A 115 MET HGy 1.0 . 5.0 600 600 A 80 GLU HBy A 115 MET HBy 1.0 . 6.1 601 601 A 80 GLU HBy A 115 MET HGy 1.0 . 5.0 602 602 A 81 VAL H A 116 THR HA 1.0 . 5.0 603 603 A 82 THR H A 81 VAL HA 1.0 . 5.0 604 604 A 82 THR H A 81 VAL HB 1.0 . 5.0 605 605 A 82 THR H A 81 VAL HG11 1.0 . 5.0 606 606 A 82 THR H A 81 VAL HG21 1.0 . 5.0 607 607 A 81 VAL H A 117 THR H 1.0 . 5.0 608 608 A 98 ILE HG21 A 81 VAL HG21 1.0 . 5.0 609 609 A 81 VAL HG11 A 95 HIS H 1.0 . 5.3 610 610 A 81 VAL HG11 A 95 HIS H 1.0 . 5.3 611 611 A 81 VAL HA A 116 THR HB 1.0 . 6.4 612 612 A 81 VAL H A 116 THR HB 1.0 . 5.0 613 613 A 81 VAL HG21 A 116 THR H 1.0 . 5.1 614 614 A 81 VAL HB A 116 THR HG21 1.0 . 6.3 615 615 A 81 VAL HG21 A 116 THR HG21 1.0 . 5.0 616 616 A 81 VAL H A 117 THR HG21 1.0 . 5.0 617 617 A 81 VAL H A 115 MET H 1.0 . 5.0 618 618 A 81 VAL H A 116 THR HB 1.0 . 5.0 619 619 A 81 VAL H A 116 THR HG21 1.0 . 5.2 620 620 A 81 VAL HB A 116 THR HB 1.0 . 5.4 621 621 A 98 ILE HD11 A 81 VAL HB 1.0 . 5.0 622 622 A 81 VAL HG11 A 116 THR HB 1.0 . 5.0 623 623 A 81 VAL HG11 A 117 THR H 1.0 . 5.2 624 624 A 82 THR HA A 117 THR H 1.0 . 5.0 625 625 A 83 SER H A 82 THR HA 1.0 . 5.0 626 626 A 83 SER H A 82 THR HB 1.0 . 5.0 627 627 A 83 SER H A 82 THR HG21 1.0 . 5.0 628 628 A 82 THR HG21 A 117 THR H 1.0 . 5.0 629 629 A 82 THR HA A 118 LYS HA 1.0 . 5.0 630 630 A 82 THR H A 116 THR HA 1.0 . 5.8 631 631 A 82 THR HA A 117 THR HG21 1.0 . 5.0 632 632 A 82 THR HA A 117 THR HB 1.0 . 5.0 633 633 A 84 ASP H A 82 THR HG21 1.0 . 5.0 634 634 A 82 THR HB A 117 THR HG21 1.0 . 5.0 635 635 A 82 THR HG21 A 117 THR HG21 1.0 . 5.0 636 636 A 83 SER H A 82 THR H 1.0 . 5.0 637 637 A 82 THR HA A 116 THR HG1 1.0 . 6.5 638 638 A 82 THR HA A 117 THR HG21 1.0 . 5.0 639 639 A 116 THR HA A 82 THR HG1 1.0 . 5.6 640 640 A 82 THR HG21 A 85 ALA HA 1.0 . 5.0 641 641 A 82 THR HA A 117 THR HG1 1.0 . 5.0 642 642 A 82 THR HG1 A 117 THR HG1 1.0 . 5.0 643 643 A 83 SER H A 118 LYS HA 1.0 . 5.0 644 644 A 84 ASP H A 83 SER HA 1.0 . 5.0 645 645 A 84 ASP H A 83 SER HBx 1.0 . 5.0 646 646 A 83 SER HBy A 84 ASP H 1.0 . 5.0 647 647 A 83 SER H A 118 LYS HBx 1.0 . 5.0 648 648 A 83 SER H A 118 LYS HBy 1.0 . 5.2 649 649 A 83 SER H A 117 THR H 1.0 . 5.0 650 650 A 83 SER HG A 118 LYS H 1.0 . 5.4 651 651 A 83 SER H A 118 LYS HBx 1.0 . 5.0 652 652 A 83 SER HA A 118 LYS HBx 1.0 . 5.2 653 653 A 83 SER HA A 118 LYS HGx 1.0 . 5.2 654 654 A 83 SER HBy A 85 ALA H 1.0 . 5.2 655 655 A 83 SER HG A 94 ARG HGx 1.0 . 5.2 656 656 A 97 LEU HD11 A 83 SER HG 1.0 . 6.4 657 657 A 83 SER H A 84 ASP H 1.0 . 5.0 658 658 A 83 SER H A 85 ALA H 1.0 . 5.0 659 659 A 83 SER H A 117 THR HG1 1.0 . 5.0 660 660 A 83 SER H A 118 LYS HA 1.0 . 5.0 661 661 A 83 SER HA A 85 ALA H 1.0 . 5.0 662 662 A 83 SER HBy A 94 ARG HDy 1.0 . 5.3 663 663 A 83 SER HBy A 118 LYS HA 1.0 . 5.0 664 664 A 83 SER HBy A 118 LYS HGy 1.0 . 5.0 665 665 A 83 SER HBy A 119 THR H 1.0 . 5.0 666 666 A 83 SER HG A 94 ARG HGy 1.0 . 5.2 667 667 A 83 SER HG A 118 LYS HA 1.0 . 5.0 668 668 A 83 SER HG A 118 LYS HGy 1.0 . 5.0 669 669 A 85 ALA H A 84 ASP HA 1.0 . 5.0 670 670 A 85 ALA H A 84 ASP HBx 1.0 . 5.0 671 671 A 85 ALA H A 84 ASP HBy 1.0 . 5.0 672 672 A 84 ASP H A 85 ALA H 1.0 . 5.0 673 673 A 84 ASP HBx A 86 PHE H 1.0 . 5.3 674 674 A 84 ASP H A 119 THR HG1 1.0 . 5.7 675 675 A 84 ASP H A 85 ALA HB1 1.0 . 5.0 676 676 A 84 ASP HA A 85 ALA HB1 1.0 . 5.0 677 677 A 119 THR H A 84 ASP HBy 1.0 . 5.0 678 678 A 84 ASP HBy A 119 THR HG1 1.0 . 5.0 679 679 A 85 ALA HA A 86 PHE H 1.0 . 5.0 680 680 A 86 PHE H A 85 ALA HB1 1.0 . 5.0 681 681 A 85 ALA H A 86 PHE H 1.0 . 5.0 682 682 A 85 ALA HA A 87 LYS H 1.0 . 5.0 683 683 A 85 ALA H A 86 PHE HA 1.0 . 5.7 684 684 A 85 ALA HA A 86 PHE H 1.0 . 5.0 685 685 A 85 ALA HB1 A 87 LYS H 1.0 . 5.4 686 686 A 118 LYS HA A 85 ALA H 1.0 . 5.0 687 687 A 85 ALA H A 119 THR H 1.0 . 5.0 688 688 A 117 THR HG21 A 85 ALA HA 1.0 . 5.4 689 689 A 87 LYS H A 86 PHE HA 1.0 . 5.0 690 690 A 87 LYS H A 86 PHE HBx 1.0 . 5.0 691 691 A 87 LYS H A 86 PHE HBy 1.0 . 5.0 692 692 A 86 PHE H A 87 LYS H 1.0 . 5.0 693 693 A 86 PHE H A 87 LYS HBx 1.0 . 5.0 694 694 A 86 PHE H A 87 LYS HDx 1.0 . 6.7 695 695 A 86 PHE H A 87 LYS HA 1.0 . 5.0 696 696 A 117 THR HG1 A 86 PHE H 1.0 . 5.0 697 697 A 86 PHE H A 119 THR HA 1.0 . 5.0 698 698 A 86 PHE H A 119 THR HG21 1.0 . 5.0 699 699 A 86 PHE HBy A 119 THR HA 1.0 . 5.0 700 700 A 86 PHE HBy A 119 THR HG21 1.0 . 5.0 701 701 A 87 LYS HA A 88 GLY H 1.0 . 5.0 702 702 A 87 LYS HBx A 88 GLY H 1.0 . 5.0 703 703 A 87 LYS HDx A 88 GLY H 1.0 . 5.2 704 704 A 87 LYS HA A 89 LEU H 1.0 . 5.0 705 705 A 87 LYS HGy A 91 LEU HD21 1.0 . 5.3 706 706 A 117 THR HG1 A 87 LYS H 1.0 . 5.0 707 707 A 87 LYS H A 119 THR HA 1.0 . 5.3 708 708 A 87 LYS H A 119 THR HG21 1.0 . 5.2 709 709 A 117 THR HB A 87 LYS HA 1.0 . 5.0 710 710 A 118 LYS H A 87 LYS HA 1.0 . 5.0 711 711 A 87 LYS HA A 119 THR HA 1.0 . 5.0 712 712 A 87 LYS HA A 119 THR HG21 1.0 . 5.4 713 713 A 87 LYS HBy A 88 GLY HAx 1.0 . 5.2 714 714 A 117 THR HB A 87 LYS HBy 1.0 . 5.0 715 715 A 87 LYS HGy A 91 LEU HBy 1.0 . 5.0 716 716 A 89 LEU H A 88 GLY HAx 1.0 . 5.0 717 717 A 89 LEU H A 88 GLY HAy 1.0 . 5.0 718 718 A 88 GLY H A 89 LEU H 1.0 . 5.0 719 719 A 88 GLY H A 89 LEU HD11 1.0 . 5.0 720 720 A 88 GLY H A 89 LEU HD11 1.0 . 5.0 721 721 A 88 GLY H A 89 LEU HG 1.0 . 5.3 722 722 A 88 GLY H A 91 LEU HA 1.0 . 6.0 723 723 A 119 THR HA A 88 GLY H 1.0 . 5.0 724 724 A 89 LEU HA A 90 THR H 1.0 . 5.0 725 725 A 90 THR H A 89 LEU HBx 1.0 . 5.0 726 726 A 89 LEU HG A 90 THR H 1.0 . 5.0 727 727 A 89 LEU HD11 A 90 THR H 1.0 . 5.0 728 728 A 89 LEU H A 90 THR HG21 1.0 . 5.8 729 729 A 89 LEU H A 90 THR HG21 1.0 . 5.8 730 730 A 89 LEU H A 90 THR H 1.0 . 5.0 731 731 A 90 THR HG21 A 89 LEU HBy 1.0 . 5.2 732 732 A 89 LEU HD11 A 90 THR HG21 1.0 . 5.4 733 733 A 89 LEU HD21 A 121 ALA H 1.0 . 5.0 734 734 A 90 THR HA A 91 LEU H 1.0 . 5.0 735 735 A 90 THR HA A 92 VAL H 1.0 . 5.0 736 736 A 90 THR HG21 A 91 LEU H 1.0 . 5.0 737 737 A 90 THR H A 91 LEU H 1.0 . 5.0 738 738 A 91 LEU HD21 A 90 THR HA 1.0 . 5.2 739 739 A 90 THR HA A 92 VAL HG21 1.0 . 5.0 740 740 A 90 THR HG1 A 93 LYS H 1.0 . 5.0 741 741 A 91 LEU HA A 92 VAL H 1.0 . 5.0 742 742 A 91 LEU HA A 93 LYS H 1.0 . 5.0 743 743 A 92 VAL H A 91 LEU HBx 1.0 . 5.0 744 744 A 92 VAL H A 91 LEU HG 1.0 . 5.0 745 745 A 91 LEU H A 92 VAL H 1.0 . 5.0 746 746 A 91 LEU HA A 94 ARG HBx 1.0 . 5.0 747 747 A 91 LEU HA A 94 ARG H 1.0 . 5.0 748 748 A 95 HIS H A 91 LEU HG 1.0 . 5.0 749 749 A 91 LEU HA A 94 ARG HBx 1.0 . 5.0 750 750 A 94 ARG H A 91 LEU HD11 1.0 . 6.1 751 751 A 117 THR HB A 91 LEU HD11 1.0 . 6.0 752 752 A 91 LEU HA A 94 ARG H 1.0 . 5.0 753 753 A 94 ARG HGx A 91 LEU HA 1.0 . 5.6 754 754 A 91 LEU H A 92 VAL HG21 1.0 . 5.0 755 755 A 91 LEU H A 93 LYS H 1.0 . 5.0 756 756 A 91 LEU HA A 94 ARG H 1.0 . 5.0 757 757 A 91 LEU HG A 92 VAL HA 1.0 . 5.0 758 758 A 91 LEU HG A 92 VAL HG11 1.0 . 5.0 759 759 A 93 LYS H A 92 VAL HA 1.0 . 3.5 760 760 A 95 HIS H A 92 VAL HA 1.0 . 5.0 761 761 A 92 VAL HA A 96 GLN H 1.0 . 5.0 762 762 A 93 LYS H A 92 VAL HB 1.0 . 5.0 763 763 A 92 VAL HG21 A 93 LYS H 1.0 . 5.0 764 764 A 92 VAL H A 93 LYS H 1.0 . 2.8 765 765 A 92 VAL HA A 95 HIS HBx 1.0 . 5.0 766 766 A 116 THR HG21 A 92 VAL H 1.0 . 5.2 767 767 A 95 HIS H A 92 VAL HG21 1.0 . 5.2 768 768 A 96 GLN H A 92 VAL HB 1.0 . 5.0 769 769 A 92 VAL HG21 A 96 GLN H 1.0 . 5.0 770 770 A 94 ARG H A 92 VAL HA 1.0 . 5.0 771 771 A 94 ARG H A 93 LYS HA 1.0 . 3.5 772 772 A 96 GLN H A 93 LYS HA 1.0 . 5.0 773 773 A 94 ARG H A 93 LYS HBx 1.0 . 5.0 774 774 A 94 ARG H A 93 LYS HGx 1.0 . 5.0 775 775 A 93 LYS H A 94 ARG H 1.0 . 2.8 776 776 A 93 LYS HA A 96 GLN HBx 1.0 . 5.0 777 777 A 93 LYS HA A 96 GLN HGy 1.0 . 5.6 778 778 A 96 GLN H A 93 LYS HGx 1.0 . 5.2 779 779 A 93 LYS HA A 96 GLN HGx 1.0 . 5.0 780 780 A 93 LYS HGx A 96 GLN HGx 1.0 . 5.4 781 781 A 118 LYS HBy A 93 LYS HDy 1.0 . 5.9 782 782 A 95 HIS H A 93 LYS H 1.0 . 5.0 783 783 A 97 LEU HD11 A 93 LYS HBy 1.0 . 5.0 784 784 A 93 LYS HDx A 94 ARG HA 1.0 . 5.0 785 785 A 94 ARG H A 93 LYS HDx 1.0 . 5.0 786 786 A 93 LYS HDx A 97 LEU HG 1.0 . 5.1 787 787 A 95 HIS H A 94 ARG HA 1.0 . 3.5 788 788 A 94 ARG HA A 97 LEU H 1.0 . 5.0 789 789 A 95 HIS H A 94 ARG HBx 1.0 . 5.0 790 790 A 95 HIS H A 94 ARG HGy 1.0 . 5.0 791 791 A 95 HIS H A 94 ARG H 1.0 . 2.8 792 792 A 94 ARG HA A 97 LEU HBx 1.0 . 5.0 793 793 A 94 ARG HA A 97 LEU HG 1.0 . 5.0 794 794 A 116 THR H A 94 ARG HBx 1.0 . 6.0 795 795 A 94 ARG HA A 97 LEU HG 1.0 . 5.0 796 796 A 94 ARG HA A 97 LEU HG 1.0 . 5.0 797 797 A 97 LEU HD11 A 94 ARG HA 1.0 . 5.0 798 798 A 98 ILE HG21 A 94 ARG HA 1.0 . 5.0 799 799 A 94 ARG HBy A 95 HIS HA 1.0 . 5.0 800 800 A 96 GLN H A 95 HIS HA 1.0 . 3.5 801 801 A 95 HIS HA A 98 ILE H 1.0 . 5.0 802 802 A 96 GLN H A 95 HIS HBx 1.0 . 5.0 803 803 A 95 HIS H A 96 GLN H 1.0 . 2.8 804 804 A 98 ILE HB A 95 HIS HA 1.0 . 5.5 805 805 A 98 ILE HG21 A 95 HIS HA 1.0 . 5.0 806 806 A 95 HIS HA A 99 TYR H 1.0 . 5.0 807 807 A 97 LEU H A 96 GLN HA 1.0 . 3.5 808 808 A 99 TYR H A 96 GLN HA 1.0 . 5.0 809 809 A 96 GLN HBx A 97 LEU H 1.0 . 5.0 810 810 A 97 LEU H A 96 GLN HBy 1.0 . 5.0 811 811 A 96 GLN HGx A 97 LEU H 1.0 . 5.0 812 812 A 96 GLN HGy A 97 LEU H 1.0 . 5.0 813 813 A 96 GLN HGy A 99 TYR H 1.0 . 5.4 814 814 A 96 GLN H A 97 LEU H 1.0 . 2.8 815 815 A 96 GLN HA A 99 TYR HA 1.0 . 5.0 816 816 A 96 GLN HBy A 97 LEU HA 1.0 . 5.0 817 817 A 96 GLN HGx A 99 TYR HBy 1.0 . 5.8 818 818 A 98 ILE H A 97 LEU HA 1.0 . 5.0 819 819 A 97 LEU HBx A 98 ILE H 1.0 . 5.0 820 820 A 97 LEU H A 98 ILE H 1.0 . 5.0 821 821 A 97 LEU H A 99 TYR H 1.0 . 5.0 822 822 A 97 LEU HD11 A 98 ILE H 1.0 . 5.0 823 823 A 98 ILE HA A 99 TYR H 1.0 . 5.0 824 824 A 98 ILE HB A 99 TYR H 1.0 . 5.0 825 825 A 98 ILE HG21 A 99 TYR H 1.0 . 5.0 826 826 A 98 ILE H A 99 TYR H 1.0 . 5.0 827 827 A 98 ILE HA A 100 GLY H 1.0 . 5.0 828 828 A 98 ILE HG21 A 100 GLY H 1.0 . 5.0 829 829 A 100 GLY H A 99 TYR HA 1.0 . 5.0 830 830 A 100 GLY H A 99 TYR HBx 1.0 . 5.0 831 831 A 100 GLY H A 99 TYR HBy 1.0 . 5.0 832 832 A 100 GLY H A 99 TYR H 1.0 . 5.0 833 833 A 100 GLY HAx A 101 LEU H 1.0 . 5.0 834 834 A 101 LEU H A 100 GLY HAy 1.0 . 5.0 835 835 A 104 ASP HBx A 105 GLU H 1.0 . 5.0 836 836 A 104 ASP H A 105 GLU H 1.0 . 2.8 837 837 A 104 ASP HA A 107 LYS HBx 1.0 . 5.0 838 838 A 107 LYS HGx A 104 ASP HA 1.0 . 5.4 839 839 A 107 LYS HBy A 104 ASP HA 1.0 . 5.0 840 840 A 104 ASP HA A 107 LYS HDy 1.0 . 5.0 841 841 A 105 GLU HA A 106 PHE H 1.0 . 3.5 842 842 A 105 GLU H A 106 PHE H 1.0 . 3.0 843 843 A 105 GLU HA A 108 ALA H 1.0 . 5.0 844 844 A 108 ALA HB1 A 105 GLU HA 1.0 . 5.0 845 845 A 105 GLU HBx A 106 PHE H 1.0 . 5.0 846 846 A 105 GLU HBy A 106 PHE H 1.0 . 5.0 847 847 A 106 PHE H A 105 GLU HGx 1.0 . 5.0 848 848 A 105 GLU H A 110 LEU HD21 1.0 . 6.2 849 849 A 108 ALA HB1 A 105 GLU HA 1.0 . 5.0 850 850 A 105 GLU H A 106 PHE H 1.0 . 5.0 851 851 A 105 GLU HA A 110 LEU HD21 1.0 . 5.0 852 852 A 112 ALA HB1 A 105 GLU HBy 1.0 . 5.0 853 853 A 105 GLU HGy A 106 PHE HBy 1.0 . 6.1 854 854 A 110 LEU HD21 A 105 GLU HGy 1.0 . 5.3 855 855 A 106 PHE HA A 107 LYS H 1.0 . 3.5 856 856 A 106 PHE HA A 109 GLY H 1.0 . 5.0 857 857 A 107 LYS H A 106 PHE HBx 1.0 . 5.0 858 858 A 106 PHE H A 107 LYS H 1.0 . 2.8 859 859 A 110 LEU HD21 A 106 PHE H 1.0 . 6.0 860 860 A 106 PHE H A 107 LYS H 1.0 . 5.0 861 861 A 108 ALA H A 107 LYS HA 1.0 . 5.0 862 862 A 107 LYS HBx A 108 ALA H 1.0 . 5.0 863 863 A 107 LYS HGx A 108 ALA H 1.0 . 5.0 864 864 A 108 ALA H A 107 LYS H 1.0 . 5.0 865 865 A 108 ALA HB1 A 107 LYS HBy 1.0 . 5.8 866 866 A 108 ALA HA A 107 LYS HGy 1.0 . 5.0 867 867 A 108 ALA HA A 109 GLY H 1.0 . 5.0 868 868 A 108 ALA HB1 A 109 GLY H 1.0 . 5.0 869 869 A 108 ALA H A 109 GLY H 1.0 . 5.2 870 870 A 108 ALA HB1 A 110 LEU H 1.0 . 5.0 871 871 A 110 LEU H A 109 GLY HAx 1.0 . 5.0 872 872 A 110 LEU H A 109 GLY H 1.0 . 5.0 873 873 A 110 LEU HA A 109 GLY HAx 1.0 . 5.0 874 874 A 111 HIS H A 110 LEU HA 1.0 . 5.0 875 875 A 111 HIS H A 110 LEU HD11 1.0 . 5.0 876 876 A 110 LEU HA A 111 HIS HA 1.0 . 5.0 877 877 A 111 HIS H A 110 LEU HBy 1.0 . 5.0 878 878 A 111 HIS HA A 112 ALA H 1.0 . 5.0 879 879 A 111 HIS HBx A 112 ALA H 1.0 . 5.0 880 880 A 111 HIS H A 112 ALA H 1.0 . 5.0 881 881 A 111 HIS H A 112 ALA HB1 1.0 . 5.7 882 882 A 111 HIS HA A 112 ALA HB1 1.0 . 5.0 883 883 A 111 HIS HBy A 112 ALA H 1.0 . 5.0 884 884 A 111 HIS HBy A 112 ALA HA 1.0 . 5.0 885 885 A 112 ALA HA A 113 LEU H 1.0 . 5.0 886 886 A 112 ALA HB1 A 113 LEU H 1.0 . 5.0 887 887 A 113 LEU H A 112 ALA H 1.0 . 5.0 888 888 A 112 ALA HA A 113 LEU HG 1.0 . 5.0 889 889 A 113 LEU HA A 114 ALA H 1.0 . 5.0 890 890 A 113 LEU HBx A 114 ALA H 1.0 . 5.0 891 891 A 114 ALA H A 113 LEU HBy 1.0 . 5.0 892 892 A 113 LEU HA A 114 ALA HB1 1.0 . 5.0 893 893 A 114 ALA HA A 115 MET H 1.0 . 5.0 894 894 A 115 MET H A 114 ALA HB1 1.0 . 5.0 895 895 A 115 MET H A 114 ALA HB1 1.0 . 5.0 896 896 A 115 MET H A 114 ALA H 1.0 . 5.0 897 897 A 116 THR H A 115 MET HA 1.0 . 5.0 898 898 A 115 MET HBx A 116 THR H 1.0 . 5.0 899 899 A 116 THR HG21 A 115 MET HA 1.0 . 5.5 900 900 A 115 MET HBy A 116 THR H 1.0 . 5.0 901 901 A 116 THR HA A 117 THR H 1.0 . 5.0 902 902 A 117 THR H A 116 THR HG21 1.0 . 5.0 903 903 A 117 THR H A 116 THR HB 1.0 . 5.0 904 904 A 117 THR H A 116 THR HB 1.0 . 5.0 905 905 A 118 LYS H A 117 THR HA 1.0 . 5.0 906 906 A 117 THR HG21 A 118 LYS H 1.0 . 5.0 907 907 A 117 THR HB A 118 LYS H 1.0 . 5.0 908 908 A 118 LYS HA A 119 THR H 1.0 . 5.0 909 909 A 118 LYS HBx A 119 THR H 1.0 . 5.0 910 910 A 118 LYS HBy A 119 THR H 1.0 . 5.0 911 911 A 118 LYS HGx A 119 THR H 1.0 . 5.0 912 912 A 118 LYS HA A 119 THR HG1 1.0 . 5.0 913 913 A 121 ALA HA A 122 GLU H 1.0 . 5.0 914 914 A 122 GLU H A 121 ALA HB1 1.0 . 5.0 915 915 A 121 ALA H A 122 GLU H 1.0 . 5.0 916 916 A 121 ALA HB1 A 122 GLU HA 1.0 . 5.0 917 917 A 122 GLU HA A 123 GLN H 1.0 . 5.0 918 918 A 123 GLN H A 122 GLU HBx 1.0 . 5.0 919 919 A 122 GLU H A 123 GLN H 1.0 . 5.0 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _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 39 LYS H A 35 ALA O 1.0 . 2.30 2 2 A 35 ALA O A 39 LYS N 1.0 . 3.20 3 3 A 40 VAL H A 36 ILE O 1.0 . 2.10 4 4 A 36 ILE O A 40 VAL N 1.0 . 3.00 5 5 A 41 GLU H A 37 LYS O 1.0 . 2.40 6 6 A 37 LYS O A 41 GLU N 1.0 . 3.30 7 7 A 95 HIS H A 91 LEU O 1.0 . 2.40 8 8 A 91 LEU O A 95 HIS N 1.0 . 3.30 9 9 A 96 GLN H A 92 VAL O 1.0 . 2.10 10 10 A 92 VAL O A 96 GLN N 1.0 . 3.00 11 11 A 97 LEU H A 93 LYS O 1.0 . 2.12 12 12 A 93 LYS O A 97 LEU N 1.0 . 3.00 13 13 A 98 ILE H A 94 ARG O 1.0 . 2.30 14 14 A 94 ARG O A 98 ILE N 1.0 . 3.30 15 15 A 108 ALA H A 104 ASP O 1.0 . 2.80 16 16 A 104 ASP O A 108 ALA N 1.0 . 3.60 17 17 A 109 GLY H A 105 GLU O 1.0 . 2.40 18 18 A 105 GLU O A 109 GLY N 1.0 . 3.30 19 19 A 48 HIS H A 82 THR O 1.0 . 2.00 20 20 A 82 THR O A 48 HIS N 1.0 . 2.80 21 21 A 82 THR H A 48 HIS O 1.0 . 2.00 22 22 A 48 HIS O A 82 THR N 1.0 . 2.70 23 23 A 50 LYS H A 80 GLU H 1.0 . 3.20 24 24 A 50 LYS N A 80 GLU N 1.0 . 4.60 25 25 A 50 LYS O A 80 GLU O 1.0 . 3.40 26 26 A 50 LYS O A 80 GLU O 1.0 . 3.40 27 27 A 52 ILE H A 78 ARG O 1.0 . 2.20 28 28 A 78 ARG O A 52 ILE N 1.0 . 3.20 29 29 A 78 ARG H A 52 ILE O 1.0 . 2.40 30 30 A 52 ILE O A 78 ARG N 1.0 . 3.20 31 31 A 113 LEU H A 77 PHE O 1.0 . 2.50 32 32 A 77 PHE O A 113 LEU N 1.0 . 3.40 33 33 A 79 LEU H A 113 LEU O 1.0 . 2.40 34 34 A 113 LEU O A 79 LEU N 1.0 . 3.30 stop_ save_