data_nef_c19962_2mp3 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 2MP3 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 -6 GLY start . false 2 A -5 HIS middle . . 3 A -4 HIS middle . . 4 A -3 HIS middle . . 5 A -2 HIS middle . . 6 A -1 HIS middle . . 7 A 0 HIS middle . . 8 A 1 ALA middle . . 9 A 2 THR middle . . 10 A 3 LYS middle . . 11 A 4 ALA middle . . 12 A 5 VAL middle . . 13 A 6 CYS middle . . 14 A 7 VAL middle . . 15 A 8 LEU middle . . 16 A 9 LYS middle . . 17 A 10 GLY middle . false 18 A 11 ASP middle . . 19 A 12 GLY middle . false 20 A 13 PRO middle . false 21 A 14 VAL middle . . 22 A 15 GLN middle . . 23 A 16 GLY middle . false 24 A 17 ILE middle . . 25 A 18 ILE middle . . 26 A 19 ASN middle . . 27 A 20 PHE middle . . 28 A 21 GLU middle . . 29 A 22 GLN middle . . 30 A 23 LYS middle . . 31 A 24 GLU middle . . 32 A 25 SER middle . . 33 A 26 ASN middle . . 34 A 27 GLY middle . false 35 A 28 PRO middle . false 36 A 29 VAL middle . . 37 A 30 LYS middle . . 38 A 31 VAL middle . . 39 A 32 TRP middle . . 40 A 33 GLY middle . false 41 A 34 SER middle . . 42 A 35 ILE middle . . 43 A 36 LYS middle . . 44 A 37 GLY middle . false 45 A 38 LEU middle . . 46 A 39 THR middle . . 47 A 40 GLU middle . . 48 A 41 GLY middle . false 49 A 42 LEU middle . . 50 A 43 HIS middle . . 51 A 44 GLY middle . false 52 A 45 PHE middle . . 53 A 46 HIS middle . . 54 A 47 VAL middle . . 55 A 48 HIS middle . . 56 A 49 GLU middle . . 57 A 50 PHE middle . . 58 A 51 GLY middle . false 59 A 52 ASP middle . . 60 A 53 ASN middle . . 61 A 54 THR middle . . 62 A 55 ALA middle . . 63 A 56 GLY middle . false 64 A 57 CYS middle . . 65 A 58 THR middle . . 66 A 59 SER middle . . 67 A 60 ALA middle . . 68 A 61 GLY middle . false 69 A 62 PRO middle . false 70 A 63 HIS middle . . 71 A 64 PHE middle . . 72 A 65 ASN middle . . 73 A 66 PRO middle . false 74 A 67 LEU middle . . 75 A 68 SER middle . . 76 A 69 ARG middle . . 77 A 70 LYS middle . . 78 A 71 HIS middle . . 79 A 72 GLY middle . false 80 A 73 GLY middle . false 81 A 74 PRO middle . false 82 A 75 LYS middle . . 83 A 76 ASP middle . . 84 A 77 GLU middle . . 85 A 78 GLU middle . . 86 A 79 ARG middle . . 87 A 80 HIS middle . . 88 A 81 VAL middle . . 89 A 82 GLY middle . false 90 A 83 ASP middle . . 91 A 84 LEU middle . . 92 A 85 GLY middle . false 93 A 86 ASN middle . . 94 A 87 VAL middle . . 95 A 88 THR middle . . 96 A 89 ALA middle . . 97 A 90 ASP middle . . 98 A 91 LYS middle . . 99 A 92 ASP middle . . 100 A 93 GLY middle . false 101 A 94 VAL middle . . 102 A 95 ALA middle . . 103 A 96 ASP middle . . 104 A 97 VAL middle . . 105 A 98 SER middle . . 106 A 99 ILE middle . . 107 A 100 GLU middle . . 108 A 101 ASP middle . . 109 A 102 SER middle . . 110 A 103 VAL middle . . 111 A 104 ILE middle . . 112 A 105 SER middle . . 113 A 106 LEU middle . . 114 A 107 SER middle . . 115 A 108 GLY middle . false 116 A 109 ASP middle . . 117 A 110 HIS middle . . 118 A 111 CYS middle . . 119 A 112 ILE middle . . 120 A 113 ILE middle . . 121 A 114 GLY middle . false 122 A 115 ARG middle . . 123 A 116 THR middle . . 124 A 117 LEU middle . . 125 A 118 VAL middle . . 126 A 119 VAL middle . . 127 A 120 HIS middle . . 128 A 121 GLU middle . . 129 A 122 LYS middle . . 130 A 123 ALA middle . . 131 A 124 ASP middle . . 132 A 125 ASP end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ALA H H 1 8.510 0.00 A 1 ALA HA H 1 4.361 0.00 A 1 ALA CA C 13 52.648 0.00 A 1 ALA CB C 13 19.448 0.00 A 1 ALA N N 15 126.197 0.00 A 2 THR H H 1 8.114 0.00 A 2 THR HA H 1 4.279 0.00 A 2 THR CA C 13 62.284 0.00 A 2 THR CB C 13 69.857 0.00 A 2 THR N N 15 114.102 0.00 A 3 LYS H H 1 8.244 0.00 A 3 LYS HA H 1 4.281 0.00 A 3 LYS CA C 13 56.818 0.00 A 3 LYS CB C 13 33.007 0.00 A 3 LYS N N 15 123.285 0.00 A 4 ALA H H 1 8.043 0.00 A 4 ALA HA H 1 4.282 0.00 A 4 ALA CA C 13 52.906 0.00 A 4 ALA CB C 13 19.274 0.00 A 4 ALA N N 15 123.571 0.00 A 5 VAL H H 1 7.954 0.00 A 5 VAL HA H 1 4.005 0.00 A 5 VAL CA C 13 63.247 0.00 A 5 VAL CB C 13 32.563 0.00 A 5 VAL N N 15 117.713 0.00 A 6 CYS H H 1 8.159 0.00 A 6 CYS HA H 1 4.607 0.00 A 6 CYS CA C 13 59.415 0.00 A 6 CYS CB C 13 27.718 0.00 A 6 CYS N N 15 121.534 0.00 A 7 VAL H H 1 8.051 0.00 A 7 VAL HA H 1 4.264 0.00 A 7 VAL CA C 13 63.142 0.00 A 7 VAL CB C 13 32.454 0.00 A 7 VAL N N 15 121.442 0.00 A 8 LEU H H 1 8.028 0.00 A 8 LEU CA C 13 55.503 0.00 A 8 LEU CB C 13 42.320 0.00 A 8 LEU N N 15 122.905 0.00 A 9 LYS H H 1 8.005 0.00 A 9 LYS HA H 1 4.239 0.00 A 9 LYS CA C 13 56.817 0.00 A 9 LYS CB C 13 33.156 0.00 A 9 LYS N N 15 120.185 0.00 A 10 GLY H H 1 8.492 0.00 A 10 GLY HA2 H 1 3.829 0.00 A 10 GLY HA3 H 1 3.829 0.00 A 10 GLY CA C 13 45.474 0.00 A 10 GLY N N 15 108.482 0.00 A 11 ASP H H 1 8.177 0.00 A 11 ASP HA H 1 4.759 0.00 A 11 ASP CA C 13 53.202 0.00 A 11 ASP CB C 13 38.839 0.00 A 11 ASP N N 15 118.480 0.00 A 12 GLY H H 1 8.397 0.00 A 12 GLY HA2 H 1 4.125 0.00 A 12 GLY HA3 H 1 4.125 0.00 A 12 GLY CA C 13 46.143 0.00 A 12 GLY N N 15 109.077 0.00 A 13 PRO HA H 1 4.423 0.00 A 13 PRO CA C 13 64.749 0.00 A 13 PRO CB C 13 32.213 0.00 A 14 VAL H H 1 7.931 0.00 A 14 VAL HA H 1 3.763 0.00 A 14 VAL CA C 13 65.607 0.00 A 14 VAL CB C 13 31.548 0.00 A 14 VAL N N 15 116.976 0.00 A 15 GLN H H 1 8.184 0.00 A 15 GLN HA H 1 4.002 0.00 A 15 GLN CA C 13 58.533 0.00 A 15 GLN CB C 13 28.387 0.00 A 15 GLN N N 15 120.074 0.00 A 16 GLY H H 1 8.270 0.00 A 16 GLY HA2 H 1 3.903 0.00 A 16 GLY HA3 H 1 3.903 0.00 A 16 GLY CA C 13 46.945 0.00 A 16 GLY N N 15 127.937 0.00 A 17 ILE H H 1 7.934 0.00 A 17 ILE HA H 1 3.890 0.00 A 17 ILE CA C 13 64.622 0.00 A 17 ILE CB C 13 38.072 0.00 A 17 ILE N N 15 121.982 0.00 A 18 ILE H H 1 8.007 0.00 A 18 ILE HA H 1 3.763 0.00 A 18 ILE CA C 13 64.717 0.00 A 18 ILE CB C 13 37.833 0.00 A 18 ILE N N 15 120.869 0.00 A 19 ASN H H 1 8.388 0.00 A 19 ASN HA H 1 4.485 0.00 A 19 ASN CA C 13 55.719 0.00 A 19 ASN CB C 13 38.405 0.00 A 19 ASN N N 15 118.523 0.00 A 20 PHE H H 1 8.049 0.00 A 20 PHE HA H 1 4.306 0.00 A 20 PHE CA C 13 61.018 0.00 A 20 PHE CB C 13 39.469 0.00 A 20 PHE N N 15 120.599 0.00 A 21 GLU H H 1 8.415 0.00 A 21 GLU HA H 1 3.865 0.00 A 21 GLU CA C 13 58.894 0.00 A 21 GLU CB C 13 27.778 0.00 A 21 GLU N N 15 118.658 0.00 A 22 GLN H H 1 8.174 0.00 A 22 GLN HA H 1 4.018 0.00 A 22 GLN CA C 13 58.017 0.00 A 22 GLN CB C 13 29.013 0.00 A 22 GLN N N 15 117.512 0.00 A 23 LYS H H 1 7.752 0.00 A 23 LYS HA H 1 4.189 0.00 A 23 LYS CA C 13 57.620 0.00 A 23 LYS CB C 13 32.803 0.00 A 23 LYS N N 15 118.902 0.00 A 24 GLU H H 1 7.816 0.00 A 24 GLU HA H 1 4.263 0.00 A 24 GLU CA C 13 56.058 0.00 A 24 GLU CB C 13 28.542 0.00 A 24 GLU N N 15 117.945 0.00 A 25 SER H H 1 7.923 0.00 A 25 SER HA H 1 4.291 0.00 A 25 SER CA C 13 59.316 0.00 A 25 SER CB C 13 63.793 0.00 A 25 SER N N 15 114.711 0.00 A 26 ASN H H 1 8.122 0.00 A 26 ASN HA H 1 4.776 0.00 A 26 ASN CA C 13 53.446 0.00 A 26 ASN CB C 13 39.173 0.00 A 26 ASN N N 15 119.305 0.00 A 27 GLY H H 1 8.073 0.00 A 27 GLY HA2 H 1 4.072 0.00 A 27 GLY HA3 H 1 4.072 0.00 A 27 GLY CA C 13 45.810 0.00 A 27 GLY N N 15 108.196 0.00 A 28 PRO HA H 1 4.260 0.00 A 28 PRO CA C 13 63.997 0.00 A 28 PRO CB C 13 32.294 0.00 A 29 VAL H H 1 7.891 0.00 A 29 VAL HA H 1 3.956 0.00 A 29 VAL CA C 13 63.818 0.00 A 29 VAL CB C 13 32.351 0.00 A 29 VAL N N 15 120.509 0.00 A 30 LYS H H 1 8.276 0.00 A 30 LYS HA H 1 4.317 0.00 A 30 LYS CA C 13 57.432 0.00 A 30 LYS CB C 13 32.414 0.00 A 30 LYS N N 15 123.745 0.00 A 31 VAL H H 1 8.090 0.00 A 31 VAL HA H 1 3.877 0.00 A 31 VAL CA C 13 64.946 0.00 A 31 VAL CB C 13 32.163 0.00 A 31 VAL N N 15 119.301 0.00 A 32 TRP H H 1 8.123 0.00 A 32 TRP HA H 1 4.557 0.00 A 32 TRP CA C 13 59.291 0.00 A 32 TRP CB C 13 29.861 0.00 A 32 TRP N N 15 121.167 0.00 A 33 GLY H H 1 8.230 0.00 A 33 GLY HA2 H 1 3.840 0.00 A 33 GLY HA3 H 1 3.840 0.00 A 33 GLY CA C 13 46.948 0.00 A 33 GLY N N 15 126.289 0.00 A 34 SER H H 1 7.842 0.00 A 34 SER HA H 1 4.420 0.00 A 34 SER CA C 13 60.973 0.00 A 34 SER CB C 13 63.594 0.00 A 34 SER N N 15 116.831 0.00 A 35 ILE H H 1 7.962 0.00 A 35 ILE HA H 1 3.848 0.00 A 35 ILE CA C 13 63.911 0.00 A 35 ILE CB C 13 37.785 0.00 A 35 ILE N N 15 120.855 0.00 A 36 LYS CA C 13 59.341 0.00 A 36 LYS CB C 13 31.799 0.00 A 37 GLY H H 1 8.067 0.00 A 37 GLY HA2 H 1 3.858 0.00 A 37 GLY HA3 H 1 3.858 0.00 A 37 GLY CA C 13 46.624 0.00 A 37 GLY N N 15 127.648 0.00 A 38 LEU H H 1 7.838 0.00 A 38 LEU HA H 1 4.192 0.00 A 38 LEU CA C 13 57.365 0.00 A 38 LEU CB C 13 42.553 0.00 A 38 LEU N N 15 121.080 0.00 A 39 THR H H 1 7.887 0.00 A 39 THR HA H 1 4.286 0.00 A 39 THR CA C 13 64.464 0.00 A 39 THR CB C 13 69.053 0.00 A 39 THR N N 15 108.219 0.00 A 40 GLU H H 1 7.793 0.00 A 40 GLU HA H 1 4.187 0.00 A 40 GLU CA C 13 57.782 0.00 A 40 GLU CB C 13 28.112 0.00 A 40 GLU N N 15 120.404 0.00 A 41 GLY H H 1 8.117 0.00 A 41 GLY HA2 H 1 3.913 0.00 A 41 GLY HA3 H 1 3.913 0.00 A 41 GLY CA C 13 45.809 0.00 A 41 GLY N N 15 107.101 0.00 A 42 LEU H H 1 7.718 0.00 A 42 LEU HA H 1 4.262 0.00 A 42 LEU CA C 13 55.684 0.00 A 42 LEU CB C 13 42.060 0.00 A 42 LEU N N 15 119.986 0.00 A 43 HIS H H 1 8.142 0.00 A 43 HIS HA H 1 4.574 0.00 A 43 HIS CA C 13 56.492 0.00 A 43 HIS CB C 13 28.656 0.00 A 43 HIS N N 15 116.877 0.00 A 44 GLY H H 1 8.381 0.00 A 44 GLY HA2 H 1 3.850 0.00 A 44 GLY HA3 H 1 3.850 0.00 A 44 GLY CA C 13 45.566 0.00 A 44 GLY N N 15 108.027 0.00 A 45 PHE H H 1 7.799 0.00 A 45 PHE HA H 1 4.495 0.00 A 45 PHE CA C 13 58.237 0.00 A 45 PHE CB C 13 39.916 0.00 A 45 PHE N N 15 119.781 0.00 A 46 HIS H H 1 8.203 0.00 A 46 HIS HA H 1 4.611 0.00 A 46 HIS CA C 13 55.147 0.00 A 46 HIS CB C 13 29.233 0.00 A 46 HIS N N 15 119.576 0.00 A 47 VAL H H 1 8.178 0.00 A 47 VAL CA C 13 62.976 0.00 A 47 VAL CB C 13 32.303 0.00 A 47 VAL N N 15 120.726 0.00 A 48 HIS H H 1 8.439 0.00 A 48 HIS HA H 1 4.652 0.00 A 48 HIS CA C 13 55.094 0.00 A 48 HIS CB C 13 29.017 0.00 A 48 HIS N N 15 118.055 0.00 A 49 GLU H H 1 8.173 0.00 A 49 GLU HA H 1 4.358 0.00 A 49 GLU CA C 13 56.408 0.00 A 49 GLU CB C 13 28.978 0.00 A 49 GLU N N 15 119.231 0.00 A 50 PHE H H 1 8.045 0.00 A 50 PHE HA H 1 4.616 0.00 A 50 PHE CA C 13 57.761 0.00 A 50 PHE CB C 13 39.663 0.00 A 50 PHE N N 15 119.140 0.00 A 51 GLY H H 1 8.242 0.00 A 51 GLY HA2 H 1 3.929 0.00 A 51 GLY HA3 H 1 3.929 0.00 A 51 GLY CA C 13 45.456 0.00 A 51 GLY N N 15 108.952 0.00 A 52 ASP H H 1 8.251 0.00 A 52 ASP HA H 1 4.682 0.00 A 52 ASP CA C 13 53.572 0.00 A 52 ASP CB C 13 38.813 0.00 A 52 ASP N N 15 119.033 0.00 A 53 ASN H H 1 7.918 0.00 A 53 ASN HA H 1 4.618 0.00 A 53 ASN CA C 13 52.912 0.00 A 53 ASN CB C 13 38.973 0.00 A 53 ASN N N 15 120.466 0.00 A 54 THR H H 1 8.026 0.00 A 54 THR HA H 1 4.274 0.00 A 54 THR CA C 13 62.121 0.00 A 54 THR CB C 13 69.696 0.00 A 54 THR N N 15 113.893 0.00 A 55 ALA H H 1 8.176 0.00 A 55 ALA HA H 1 4.384 0.00 A 55 ALA CA C 13 52.655 0.00 A 55 ALA CB C 13 19.478 0.00 A 55 ALA N N 15 125.777 0.00 A 56 GLY H H 1 8.048 0.00 A 56 GLY HA2 H 1 4.049 0.00 A 56 GLY HA3 H 1 4.049 0.00 A 56 GLY CA C 13 44.634 0.00 A 56 GLY N N 15 107.810 0.00 A 57 CYS H H 1 8.122 0.00 A 57 CYS HA H 1 4.574 0.00 A 57 CYS CA C 13 58.627 0.00 A 57 CYS CB C 13 28.122 0.00 A 57 CYS N N 15 118.586 0.00 A 58 THR H H 1 8.201 0.00 A 58 THR HA H 1 4.382 0.00 A 58 THR CA C 13 62.006 0.00 A 58 THR CB C 13 69.822 0.00 A 58 THR N N 15 116.035 0.00 A 59 SER H H 1 8.173 0.00 A 59 SER HA H 1 4.425 0.00 A 59 SER CA C 13 58.376 0.00 A 59 SER CB C 13 63.969 0.00 A 59 SER N N 15 117.834 0.00 A 60 ALA H H 1 8.201 0.00 A 60 ALA HA H 1 4.360 0.00 A 60 ALA CA C 13 52.534 0.00 A 60 ALA CB C 13 19.583 0.00 A 60 ALA N N 15 125.777 0.00 A 61 GLY H H 1 7.958 0.00 A 61 GLY HA2 H 1 3.825 0.00 A 61 GLY HA3 H 1 3.825 0.00 A 61 GLY CA C 13 43.747 0.00 A 61 GLY N N 15 107.119 0.00 A 62 PRO HA H 1 4.452 0.00 A 62 PRO CA C 13 62.358 0.00 A 62 PRO CB C 13 32.638 0.00 A 63 HIS H H 1 8.642 0.00 A 63 HIS HA H 1 4.756 0.00 A 63 HIS CA C 13 54.997 0.00 A 63 HIS CB C 13 29.147 0.00 A 63 HIS N N 15 118.969 0.00 A 64 PHE H H 1 8.318 0.00 A 64 PHE HA H 1 4.597 0.00 A 64 PHE CA C 13 57.508 0.00 A 64 PHE CB C 13 40.011 0.00 A 64 PHE N N 15 121.743 0.00 A 65 ASN H H 1 8.314 0.00 A 65 ASN HA H 1 4.894 0.00 A 65 ASN CA C 13 50.669 0.00 A 65 ASN CB C 13 39.177 0.00 A 65 ASN N N 15 122.466 0.00 A 66 PRO CA C 13 63.748 0.00 A 66 PRO CB C 13 32.145 0.00 A 67 LEU H H 1 7.997 0.00 A 67 LEU HA H 1 4.273 0.00 A 67 LEU CA C 13 55.411 0.00 A 67 LEU CB C 13 41.729 0.00 A 67 LEU N N 15 119.364 0.00 A 68 SER H H 1 7.814 0.00 A 68 SER HA H 1 4.337 0.00 A 68 SER CA C 13 58.658 0.00 A 68 SER CB C 13 63.815 0.00 A 68 SER N N 15 115.077 0.00 A 69 ARG H H 1 8.043 0.00 A 69 ARG HA H 1 4.328 0.00 A 69 ARG CA C 13 56.056 0.00 A 69 ARG CB C 13 30.750 0.00 A 69 ARG N N 15 122.421 0.00 A 70 LYS H H 1 8.086 0.00 A 70 LYS HA H 1 4.238 0.00 A 70 LYS CA C 13 56.513 0.00 A 70 LYS CB C 13 33.011 0.00 A 70 LYS N N 15 121.683 0.00 A 71 HIS H H 1 8.410 0.00 A 71 HIS HA H 1 4.734 0.00 A 71 HIS CA C 13 55.212 0.00 A 71 HIS CB C 13 29.332 0.00 A 71 HIS N N 15 119.321 0.00 A 72 GLY H H 1 8.368 0.00 A 72 GLY HA2 H 1 4.014 0.00 A 72 GLY HA3 H 1 4.014 0.00 A 72 GLY CA C 13 45.117 0.00 A 72 GLY N N 15 110.453 0.00 A 73 GLY H H 1 8.149 0.00 A 73 GLY HA2 H 1 4.102 0.00 A 73 GLY HA3 H 1 4.102 0.00 A 73 GLY CA C 13 44.617 0.00 A 73 GLY N N 15 108.744 0.00 A 74 PRO HA H 1 4.404 0.00 A 74 PRO CA C 13 63.408 0.00 A 74 PRO CB C 13 32.193 0.00 A 75 LYS H H 1 8.351 0.00 A 75 LYS HA H 1 4.237 0.00 A 75 LYS CA C 13 56.722 0.00 A 75 LYS CB C 13 32.833 0.00 A 75 LYS N N 15 120.609 0.00 A 76 ASP H H 1 8.223 0.00 A 76 ASP HA H 1 4.624 0.00 A 76 ASP CA C 13 53.584 0.00 A 76 ASP CB C 13 39.083 0.00 A 76 ASP N N 15 119.583 0.00 A 77 GLU H H 1 8.279 0.00 A 77 GLU HA H 1 4.332 0.00 A 77 GLU CA C 13 56.224 0.00 A 77 GLU CB C 13 28.978 0.00 A 77 GLU N N 15 120.900 0.00 A 78 GLU H H 1 8.244 0.00 A 78 GLU HA H 1 4.268 0.00 A 78 GLU CA C 13 56.613 0.00 A 78 GLU CB C 13 28.913 0.00 A 78 GLU N N 15 120.207 0.00 A 79 ARG H H 1 8.129 0.00 A 79 ARG HA H 1 4.260 0.00 A 79 ARG CA C 13 56.185 0.00 A 79 ARG CB C 13 30.924 0.00 A 79 ARG N N 15 121.243 0.00 A 80 HIS H H 1 8.449 0.00 A 80 HIS HA H 1 4.739 0.00 A 80 HIS CA C 13 55.407 0.00 A 80 HIS CB C 13 29.241 0.00 A 80 HIS N N 15 119.446 0.00 A 81 VAL H H 1 8.170 0.00 A 81 VAL HA H 1 3.953 0.00 A 81 VAL CA C 13 62.886 0.00 A 81 VAL CB C 13 32.615 0.00 A 81 VAL N N 15 119.297 0.00 A 82 GLY H H 1 8.372 0.00 A 82 GLY HA2 H 1 4.012 0.00 A 82 GLY HA3 H 1 4.012 0.00 A 82 GLY CA C 13 45.465 0.00 A 82 GLY N N 15 111.075 0.00 A 83 ASP H H 1 8.230 0.00 A 83 ASP HA H 1 4.679 0.00 A 83 ASP CA C 13 53.309 0.00 A 83 ASP CB C 13 38.782 0.00 A 83 ASP N N 15 118.677 0.00 A 84 LEU H H 1 8.231 0.00 A 84 LEU HA H 1 4.268 0.00 A 84 LEU CA C 13 55.890 0.00 A 84 LEU CB C 13 42.175 0.00 A 84 LEU N N 15 121.711 0.00 A 85 GLY H H 1 8.215 0.00 A 85 GLY HA2 H 1 3.917 0.00 A 85 GLY HA3 H 1 3.917 0.00 A 85 GLY CA C 13 45.796 0.00 A 85 GLY N N 15 107.521 0.00 A 86 ASN H H 1 8.140 0.00 A 86 ASN HA H 1 4.727 0.00 A 86 ASN CA C 13 53.368 0.00 A 86 ASN CB C 13 38.795 0.00 A 86 ASN N N 15 118.522 0.00 A 87 VAL H H 1 7.977 0.00 A 87 VAL HA H 1 4.110 0.00 A 87 VAL CA C 13 63.404 0.00 A 87 VAL CB C 13 32.401 0.00 A 87 VAL N N 15 119.653 0.00 A 88 THR H H 1 7.996 0.00 A 88 THR HA H 1 4.302 0.00 A 88 THR CA C 13 62.737 0.00 A 88 THR CB C 13 69.424 0.00 A 88 THR N N 15 115.427 0.00 A 89 ALA H H 1 8.005 0.00 A 89 ALA HA H 1 4.281 0.00 A 89 ALA CA C 13 52.992 0.00 A 89 ALA CB C 13 19.151 0.00 A 89 ALA N N 15 125.054 0.00 A 90 ASP H H 1 8.173 0.00 A 90 ASP HA H 1 4.625 0.00 A 90 ASP CA C 13 53.478 0.00 A 90 ASP CB C 13 38.348 0.00 A 90 ASP N N 15 117.513 0.00 A 91 LYS H H 1 8.147 0.00 A 91 LYS HA H 1 4.226 0.00 A 91 LYS CA C 13 57.168 0.00 A 91 LYS CB C 13 32.670 0.00 A 91 LYS N N 15 120.988 0.00 A 92 ASP H H 1 8.279 0.00 A 92 ASP HA H 1 4.646 0.00 A 92 ASP CA C 13 53.659 0.00 A 92 ASP CB C 13 38.425 0.00 A 92 ASP N N 15 118.400 0.00 A 93 GLY H H 1 8.133 0.00 A 93 GLY HA2 H 1 3.946 0.00 A 93 GLY HA3 H 1 3.946 0.00 A 93 GLY CA C 13 45.880 0.00 A 93 GLY N N 15 107.991 0.00 A 94 VAL H H 1 7.840 0.00 A 94 VAL HA H 1 4.061 0.00 A 94 VAL CA C 13 62.865 0.00 A 94 VAL CB C 13 32.529 0.00 A 94 VAL N N 15 118.556 0.00 A 95 ALA H H 1 8.190 0.00 A 95 ALA HA H 1 4.308 0.00 A 95 ALA CA C 13 52.890 0.00 A 95 ALA CB C 13 19.276 0.00 A 95 ALA N N 15 125.410 0.00 A 96 ASP H H 1 8.253 0.00 A 96 ASP HA H 1 4.614 0.00 A 96 ASP CA C 13 54.145 0.00 A 96 ASP CB C 13 38.193 0.00 A 96 ASP N N 15 117.528 0.00 A 97 VAL H H 1 7.935 0.00 A 97 VAL HA H 1 4.048 0.00 A 97 VAL CA C 13 63.455 0.00 A 97 VAL CB C 13 32.564 0.00 A 97 VAL N N 15 119.362 0.00 A 98 SER H H 1 8.103 0.00 A 98 SER HA H 1 4.530 0.00 A 98 SER CA C 13 59.185 0.00 A 98 SER CB C 13 63.579 0.00 A 98 SER N N 15 117.866 0.00 A 99 ILE H H 1 8.395 0.00 A 99 ILE HA H 1 3.917 0.00 A 99 ILE CA C 13 64.000 0.00 A 99 ILE CB C 13 38.001 0.00 A 99 ILE N N 15 123.797 0.00 A 100 GLU H H 1 8.433 0.00 A 100 GLU HA H 1 4.251 0.00 A 100 GLU CA C 13 59.247 0.00 A 100 GLU CB C 13 28.160 0.00 A 100 GLU N N 15 120.053 0.00 A 101 ASP H H 1 8.339 0.00 A 101 ASP HA H 1 4.497 0.00 A 101 ASP CA C 13 55.395 0.00 A 101 ASP CB C 13 37.691 0.00 A 101 ASP N N 15 116.680 0.00 A 102 SER H H 1 7.999 0.00 A 102 SER HA H 1 4.335 0.00 A 102 SER CA C 13 61.843 0.00 A 102 SER CB C 13 63.396 0.00 A 102 SER N N 15 116.686 0.00 A 103 VAL H H 1 8.004 0.00 A 103 VAL HA H 1 3.816 0.00 A 103 VAL CA C 13 65.719 0.00 A 103 VAL CB C 13 31.920 0.00 A 103 VAL N N 15 120.346 0.00 A 104 ILE H H 1 8.009 0.00 A 104 ILE HA H 1 3.890 0.00 A 104 ILE CA C 13 63.862 0.00 A 104 ILE CB C 13 38.048 0.00 A 104 ILE N N 15 119.732 0.00 A 105 SER H H 1 7.995 0.00 A 105 SER HA H 1 4.501 0.00 A 105 SER CA C 13 60.533 0.00 A 105 SER CB C 13 63.459 0.00 A 105 SER N N 15 116.660 0.00 A 106 LEU H H 1 8.053 0.00 A 106 LEU CA C 13 56.562 0.00 A 106 LEU CB C 13 42.454 0.00 A 106 LEU N N 15 122.130 0.00 A 107 SER H H 1 7.996 0.00 A 107 SER HA H 1 4.269 0.00 A 107 SER CA C 13 60.287 0.00 A 107 SER CB C 13 63.893 0.00 A 107 SER N N 15 113.088 0.00 A 108 GLY H H 1 8.066 0.00 A 108 GLY HA2 H 1 3.970 0.00 A 108 GLY HA3 H 1 3.970 0.00 A 108 GLY CA C 13 45.944 0.00 A 108 GLY N N 15 109.156 0.00 A 109 ASP H H 1 8.119 0.00 A 109 ASP CA C 13 53.269 0.00 A 109 ASP CB C 13 38.170 0.00 A 109 ASP N N 15 118.500 0.00 A 110 HIS H H 1 8.302 0.00 A 110 HIS HA H 1 4.654 0.00 A 110 HIS CA C 13 56.094 0.00 A 110 HIS CB C 13 28.660 0.00 A 110 HIS N N 15 117.415 0.00 A 111 CYS H H 1 8.293 0.00 A 111 CYS HA H 1 4.502 0.00 A 111 CYS CA C 13 59.399 0.00 A 111 CYS CB C 13 27.674 0.00 A 111 CYS N N 15 118.550 0.00 A 112 ILE H H 1 8.265 0.00 A 112 ILE HA H 1 4.115 0.00 A 112 ILE CA C 13 62.697 0.00 A 112 ILE CB C 13 38.458 0.00 A 112 ILE N N 15 121.950 0.00 A 113 ILE H H 1 8.031 0.00 A 113 ILE HA H 1 4.027 0.00 A 113 ILE CA C 13 62.669 0.00 A 113 ILE CB C 13 38.270 0.00 A 113 ILE N N 15 121.561 0.00 A 114 GLY H H 1 8.265 0.00 A 114 GLY HA2 H 1 3.897 0.00 A 114 GLY HA3 H 1 3.897 0.00 A 114 GLY CA C 13 46.498 0.00 A 114 GLY N N 15 109.652 0.00 A 115 ARG H H 1 8.073 0.00 A 115 ARG HA H 1 4.215 0.00 A 115 ARG CA C 13 57.749 0.00 A 115 ARG CB C 13 30.641 0.00 A 115 ARG N N 15 119.514 0.00 A 116 THR H H 1 7.965 0.00 A 116 THR HA H 1 4.182 0.00 A 116 THR CA C 13 64.288 0.00 A 116 THR CB C 13 69.277 0.00 A 116 THR N N 15 113.665 0.00 A 117 LEU H H 1 8.009 0.00 A 117 LEU HA H 1 4.256 0.00 A 117 LEU CA C 13 56.750 0.00 A 117 LEU CB C 13 42.374 0.00 A 117 LEU N N 15 122.716 0.00 A 118 VAL H H 1 7.805 0.00 A 118 VAL HA H 1 3.923 0.00 A 118 VAL CA C 13 64.159 0.00 A 118 VAL CB C 13 32.290 0.00 A 118 VAL N N 15 118.610 0.00 A 119 VAL H H 1 7.971 0.00 A 119 VAL HA H 1 3.952 0.00 A 119 VAL CA C 13 64.233 0.00 A 119 VAL CB C 13 32.197 0.00 A 119 VAL N N 15 118.576 0.00 A 120 HIS H H 1 8.444 0.00 A 120 HIS HA H 1 4.618 0.00 A 120 HIS CA C 13 55.955 0.00 A 120 HIS CB C 13 28.903 0.00 A 120 HIS N N 15 119.988 0.00 A 121 GLU H H 1 8.188 0.00 A 121 GLU HA H 1 4.336 0.00 A 121 GLU CA C 13 56.096 0.00 A 121 GLU CB C 13 28.975 0.00 A 121 GLU N N 15 120.536 0.00 A 122 LYS CA C 13 56.787 0.00 A 122 LYS CB C 13 33.068 0.00 A 123 ALA H H 1 8.228 0.00 A 123 ALA HA H 1 4.265 0.00 A 123 ALA CA C 13 53.030 0.00 A 123 ALA CB C 13 19.238 0.00 A 123 ALA N N 15 124.596 0.00 A 124 ASP H H 1 8.169 0.00 A 124 ASP HA H 1 4.702 0.00 A 124 ASP CA C 13 53.276 0.00 A 124 ASP CB C 13 38.415 0.00 A 124 ASP N N 15 117.288 0.00 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 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 1 ALA H A 1 ALA HA 1.0 . 6.0000 2 2 A 1 ALA H A 2 THR H 1.0 . 6.0000 3 3 A 1 ALA H A 4 ALA HB1 1.0 . 6.0000 4 4 A 1 ALA H A 2 THR H 1.0 . 4.1000 5 5 A 1 ALA HA A 2 THR H 1.0 . 3.2000 6 6 A 2 THR H A 1 ALA HB1 1.0 . 3.5000 7 7 A 2 THR H A 2 THR HA 1.0 . 3.5000 8 8 A 2 THR H A 2 THR HB 1.0 . 3.7000 9 9 A 2 THR H A 2 THR HG1 1.0 . 3.6000 10 10 A 2 THR H A 3 LYS H 1.0 . 3.6000 11 11 A 2 THR H A 3 LYS HA 1.0 . 3.8750 12 12 A 2 THR H A 4 ALA H 1.0 . 4.4000 13 13 A 2 THR H A 4 ALA HB1 1.0 . 3.5000 14 14 A 2 THR H A 3 LYS H 1.0 . 4.9000 15 15 A 2 THR HA A 3 LYS H 1.0 . 3.6000 16 16 A 2 THR HB A 3 LYS H 1.0 . 4.7000 17 17 A 2 THR HG1 A 3 LYS H 1.0 . 5.0000 18 18 A 3 LYS H A 3 LYS HA 1.0 . 3.6000 19 19 A 3 LYS H A 3 LYS HBx 1.0 . 4.6000 20 20 A 3 LYS H A 3 LYS HBy 1.0 . 4.2000 21 21 A 3 LYS H A 3 LYS HDx 1.0 . 6.0000 22 22 A 3 LYS H A 3 LYS HGy 1.0 . 4.9000 23 23 A 3 LYS H A 4 ALA H 1.0 . 5.6000 24 24 A 2 THR H A 4 ALA H 1.0 . 4.2000 25 25 A 3 LYS HA A 4 ALA H 1.0 . 4.3000 26 26 A 4 ALA H A 3 LYS HBx 1.0 . 6.0000 27 27 A 4 ALA H A 3 LYS HBy 1.0 . 5.5000 28 28 A 4 ALA H A 3 LYS HDx 1.0 . 4.1000 29 29 A 4 ALA H A 3 LYS HGy 1.0 . 6.0000 30 30 A 4 ALA H A 4 ALA HA 1.0 . 4.3000 31 31 A 4 ALA HB1 A 4 ALA H 1.0 . 4.9000 32 32 A 4 ALA H A 5 VAL HB 1.0 . 5.2000 33 33 A 4 ALA H A 7 VAL H 1.0 . 5.2900 34 34 A 3 LYS H A 5 VAL H 1.0 . 3.8000 35 35 A 3 LYS HA A 5 VAL H 1.0 . 3.5000 36 36 A 4 ALA HB1 A 5 VAL H 1.0 . 3.7000 37 37 A 5 VAL H A 5 VAL HA 1.0 . 3.8000 38 38 A 5 VAL HB A 5 VAL H 1.0 . 3.6000 39 39 A 5 VAL H A 6 CYS H 1.0 . 3.6000 40 40 A 5 VAL HA A 6 CYS H 1.0 . 3.8000 41 41 A 5 VAL HB A 6 CYS H 1.0 . 4.4000 42 42 A 6 CYS H A 6 CYS HA 1.0 . 6.0000 43 43 A 6 CYS H A 6 CYS HBy 1.0 . 4.6000 44 44 A 7 VAL H A 6 CYS HA 1.0 . 3.6000 45 45 A 7 VAL H A 8 LEU H 1.0 . 4.2000 46 46 A 8 LEU H A 9 LYS HEy 1.0 . 6.0000 47 47 A 5 VAL HB A 8 LEU H 1.0 . 6.0000 48 48 A 8 LEU H A 7 VAL HA 1.0 . 5.9000 49 49 A 8 LEU H A 8 LEU HA 1.0 . 4.2000 50 50 A 8 LEU H A 8 LEU HBx 1.0 . 4.0000 51 51 A 8 LEU H A 8 LEU HBy 1.0 . 4.6000 52 52 A 8 LEU H A 8 LEU HG 1.0 . 6.0000 53 53 A 9 LYS H A 9 LYS HA 1.0 . 3.7000 54 54 A 9 LYS H A 9 LYS HBx 1.0 . 4.0000 55 55 A 9 LYS H A 9 LYS HBy 1.0 . 3.7000 56 56 A 9 LYS H A 9 LYS HDy 1.0 . 4.0000 57 57 A 9 LYS HEy A 9 LYS H 1.0 . 4.6000 58 58 A 9 LYS H A 9 LYS HGx 1.0 . 4.4000 59 59 A 9 LYS H A 10 GLY HA3 1.0 . 4.2000 60 60 A 8 LEU HA A 9 LYS H 1.0 . 3.4000 61 61 A 8 LEU HBy A 9 LYS H 1.0 . 4.3000 62 62 A 10 GLY HA3 A 10 GLY H 1.0 . 4.3000 63 63 A 11 ASP H A 11 ASP HA 1.0 . 4.8000 64 64 A 11 ASP H A 11 ASP HBx 1.0 . 5.2000 65 65 A 11 ASP H A 11 ASP HBy 1.0 . 5.4000 66 66 A 11 ASP H A 15 GLN H 1.0 . 5.8000 67 67 A 8 LEU HA A 11 ASP H 1.0 . 4.4000 68 68 A 10 GLY H A 12 GLY H 1.0 . 6.0000 69 69 A 12 GLY H A 12 GLY HA3 1.0 . 6.0000 70 70 A 12 GLY H A 14 VAL H 1.0 . 6.0000 71 71 A 14 VAL H A 14 VAL HA 1.0 . 3.5000 72 72 A 14 VAL H A 14 VAL HB 1.0 . 3.4000 73 73 A 15 GLN H A 14 VAL H 1.0 . 4.0000 74 74 A 14 VAL H A 15 GLN HA 1.0 . 4.9000 75 75 A 14 VAL H A 16 GLY H 1.0 . 4.7000 76 76 A 14 VAL H A 17 ILE HB 1.0 . 5.4000 77 77 A 15 GLN H A 14 VAL H 1.0 . 3.5000 78 78 A 15 GLN H A 14 VAL HA 1.0 . 3.7000 79 79 A 15 GLN H A 15 GLN HA 1.0 . 3.5000 80 80 A 15 GLN H A 15 GLN HBx 1.0 . 4.9000 81 81 A 15 GLN H A 15 GLN HGx 1.0 . 3.7000 82 82 A 15 GLN H A 16 GLY HA2 1.0 . 4.6000 83 83 A 15 GLN H A 16 GLY HA3 1.0 . 4.8000 84 84 A 15 GLN H A 17 ILE H 1.0 . 4.5000 85 85 A 15 GLN H A 18 ILE HG1x 1.0 . 5.9000 86 86 A 17 ILE H A 15 GLN HBy 1.0 . 4.6150 87 87 A 14 VAL H A 16 GLY H 1.0 . 6.0000 88 88 A 14 VAL HA A 16 GLY H 1.0 . 4.9000 89 89 A 15 GLN H A 16 GLY H 1.0 . 6.0000 90 90 A 16 GLY H A 16 GLY HA2 1.0 . 3.2000 91 91 A 16 GLY H A 16 GLY HA3 1.0 . 3.1000 92 92 A 16 GLY H A 17 ILE H 1.0 . 6.0000 93 93 A 16 GLY H A 17 ILE HB 1.0 . 6.0000 94 94 A 14 VAL HA A 17 ILE H 1.0 . 5.2000 95 95 A 15 GLN HA A 17 ILE H 1.0 . 5.0000 96 96 A 16 GLY H A 17 ILE H 1.0 . 4.3000 97 97 A 17 ILE H A 17 ILE HA 1.0 . 4.2000 98 98 A 17 ILE HB A 17 ILE H 1.0 . 4.2000 99 99 A 17 ILE H A 17 ILE HG1x 1.0 . 4.6000 100 100 A 17 ILE H A 17 ILE HG1y 1.0 . 3.4000 101 101 A 17 ILE H A 18 ILE HA 1.0 . 4.9000 102 102 A 17 ILE H A 18 ILE HB 1.0 . 4.2000 103 103 A 17 ILE H A 20 PHE H 1.0 . 5.1950 104 104 A 17 ILE H A 20 PHE HBx 1.0 . 6.0000 105 105 A 17 ILE HB A 20 PHE H 1.0 . 5.0850 106 106 A 14 VAL H A 18 ILE H 1.0 . 5.4000 107 107 A 14 VAL HA A 18 ILE H 1.0 . 6.0000 108 108 A 14 VAL HB A 18 ILE H 1.0 . 6.0000 109 109 A 15 GLN HA A 18 ILE H 1.0 . 5.5000 110 110 A 16 GLY H A 18 ILE H 1.0 . 4.9000 111 111 A 17 ILE H A 18 ILE H 1.0 . 5.4000 112 112 A 17 ILE HA A 18 ILE H 1.0 . 4.0000 113 113 A 17 ILE HB A 18 ILE H 1.0 . 3.8000 114 114 A 17 ILE HG1y A 18 ILE H 1.0 . 4.6000 115 115 A 18 ILE HA A 18 ILE H 1.0 . 3.6000 116 116 A 18 ILE HB A 18 ILE H 1.0 . 3.4000 117 117 A 18 ILE HG1x A 18 ILE H 1.0 . 3.6000 118 118 A 18 ILE H A 19 ASN H 1.0 . 4.3000 119 119 A 18 ILE H A 19 ASN HA 1.0 . 5.0000 120 120 A 18 ILE H A 19 ASN HBx 1.0 . 4.5450 121 121 A 18 ILE H A 19 ASN HBy 1.0 . 5.9150 122 122 A 20 PHE HBx A 18 ILE H 1.0 . 4.6000 123 123 A 15 GLN HA A 19 ASN H 1.0 . 5.6000 124 124 A 17 ILE HA A 19 ASN H 1.0 . 4.6000 125 125 A 19 ASN H A 19 ASN HA 1.0 . 3.4000 126 126 A 19 ASN H A 19 ASN HBx 1.0 . 3.5000 127 127 A 19 ASN H A 19 ASN HBy 1.0 . 3.4000 128 128 A 20 PHE H A 19 ASN H 1.0 . 3.5000 129 129 A 19 ASN H A 20 PHE HA 1.0 . 4.7000 130 130 A 20 PHE HBx A 19 ASN H 1.0 . 4.2000 131 131 A 18 ILE HA A 20 PHE H 1.0 . 4.7000 132 132 A 20 PHE H A 19 ASN H 1.0 . 3.4000 133 133 A 20 PHE H A 19 ASN HA 1.0 . 3.7000 134 134 A 20 PHE H A 19 ASN HBx 1.0 . 3.8000 135 135 A 20 PHE H A 19 ASN HBy 1.0 . 3.8000 136 136 A 20 PHE H A 20 PHE HA 1.0 . 3.5000 137 137 A 20 PHE H A 20 PHE HBx 1.0 . 2.9000 138 138 A 20 PHE H A 23 LYS H 1.0 . 5.1000 139 139 A 17 ILE H A 21 GLU H 1.0 . 5.1000 140 140 A 19 ASN H A 21 GLU H 1.0 . 4.0000 141 141 A 19 ASN HA A 21 GLU H 1.0 . 4.2000 142 142 A 20 PHE H A 21 GLU H 1.0 . 3.2000 143 143 A 20 PHE HBx A 21 GLU H 1.0 . 4.7000 144 144 A 21 GLU H A 21 GLU HBx 1.0 . 3.6000 145 145 A 21 GLU H A 21 GLU HBy 1.0 . 3.7000 146 146 A 21 GLU H A 21 GLU HGy 1.0 . 3.7000 147 147 A 21 GLU H A 22 GLN H 1.0 . 3.9000 148 148 A 21 GLU H A 25 SER HBx 1.0 . 5.9000 149 149 A 22 GLN H A 22 GLN HA 1.0 . 2.9000 150 150 A 22 GLN H A 22 GLN HBx 1.0 . 3.4000 151 151 A 22 GLN H A 22 GLN HBy 1.0 . 3.4000 152 152 A 22 GLN H A 22 GLN HGx 1.0 . 3.6000 153 153 A 22 GLN H A 23 LYS HBx 1.0 . 4.8000 154 154 A 22 GLN H A 25 SER H 1.0 . 5.6000 155 155 A 19 ASN HBx A 23 LYS H 1.0 . 5.8000 156 156 A 20 PHE H A 23 LYS H 1.0 . 5.1000 157 157 A 23 LYS H A 23 LYS HA 1.0 . 3.0000 158 158 A 23 LYS H A 23 LYS HBx 1.0 . 3.2000 159 159 A 23 LYS H A 23 LYS HBy 1.0 . 3.3150 160 160 A 23 LYS H A 23 LYS HDx 1.0 . 4.3000 161 161 A 23 LYS H A 23 LYS HGy 1.0 . 3.5000 162 162 A 23 LYS H A 24 GLU HBx 1.0 . 4.3850 163 163 A 23 LYS H A 25 SER H 1.0 . 4.6000 164 164 A 23 LYS H A 26 ASN H 1.0 . 5.7550 165 165 A 23 LYS H A 27 GLY H 1.0 . 5.2000 166 166 A 23 LYS HBx A 24 GLU H 1.0 . 3.5000 167 167 A 23 LYS HBy A 24 GLU H 1.0 . 5.0000 168 168 A 24 GLU H A 24 GLU HA 1.0 . 3.5000 169 169 A 24 GLU HBx A 24 GLU H 1.0 . 3.6000 170 170 A 24 GLU H A 24 GLU HBy 1.0 . 3.5000 171 171 A 24 GLU H A 24 GLU HGy 1.0 . 3.6000 172 172 A 25 SER H A 24 GLU H 1.0 . 3.7000 173 173 A 25 SER HBx A 24 GLU H 1.0 . 4.2000 174 174 A 23 LYS HBx A 25 SER H 1.0 . 4.7000 175 175 A 25 SER H A 24 GLU H 1.0 . 3.7000 176 176 A 25 SER H A 24 GLU HA 1.0 . 3.1000 177 177 A 25 SER H A 24 GLU HBy 1.0 . 3.8000 178 178 A 25 SER H A 25 SER HA 1.0 . 3.1000 179 179 A 25 SER HBx A 25 SER H 1.0 . 3.2000 180 180 A 25 SER H A 26 ASN H 1.0 . 4.0000 181 181 A 25 SER H A 26 ASN HA 1.0 . 4.7000 182 182 A 25 SER H A 26 ASN H 1.0 . 3.6000 183 183 A 26 ASN H A 25 SER HA 1.0 . 3.1000 184 184 A 25 SER HBx A 26 ASN H 1.0 . 3.7000 185 185 A 26 ASN H A 26 ASN HA 1.0 . 3.1000 186 186 A 26 ASN H A 26 ASN HBx 1.0 . 3.5000 187 187 A 26 ASN H A 26 ASN HBy 1.0 . 3.2000 188 188 A 26 ASN H A 27 GLY H 1.0 . 4.1000 189 189 A 26 ASN H A 27 GLY HA3 1.0 . 4.3000 190 190 A 23 LYS H A 27 GLY H 1.0 . 6.0000 191 191 A 27 GLY H A 24 GLU HA 1.0 . 6.0000 192 192 A 25 SER H A 27 GLY H 1.0 . 6.0000 193 193 A 27 GLY H A 25 SER HA 1.0 . 6.0000 194 194 A 26 ASN H A 27 GLY H 1.0 . 4.8000 195 195 A 27 GLY H A 26 ASN HA 1.0 . 3.4000 196 196 A 27 GLY H A 26 ASN HBx 1.0 . 4.1000 197 197 A 27 GLY H A 27 GLY HA3 1.0 . 5.2000 198 198 A 26 ASN H A 29 VAL H 1.0 . 4.1000 199 199 A 29 VAL H A 29 VAL HA 1.0 . 4.9000 200 200 A 29 VAL H A 29 VAL HB 1.0 . 3.5000 201 201 A 29 VAL H A 30 LYS HA 1.0 . 4.5825 202 202 A 30 LYS HA A 30 LYS H 1.0 . 5.2000 203 203 A 30 LYS H A 30 LYS HBx 1.0 . 5.3000 204 204 A 30 LYS H A 30 LYS HBy 1.0 . 6.0000 205 205 A 30 LYS H A 30 LYS HDx 1.0 . 6.0000 206 206 A 30 LYS H A 30 LYS HGy 1.0 . 4.0000 207 207 A 30 LYS H A 31 VAL H 1.0 . 3.5000 208 208 A 30 LYS H A 31 VAL HB 1.0 . 5.8000 209 209 A 30 LYS HBy A 32 TRP H 1.0 . 4.7050 210 210 A 27 GLY H A 31 VAL H 1.0 . 5.0000 211 211 A 29 VAL HA A 31 VAL H 1.0 . 4.8000 212 212 A 29 VAL HB A 31 VAL H 1.0 . 4.7000 213 213 A 30 LYS H A 31 VAL H 1.0 . 3.7000 214 214 A 30 LYS HA A 31 VAL H 1.0 . 3.2000 215 215 A 30 LYS HBx A 31 VAL H 1.0 . 3.7000 216 216 A 30 LYS HDx A 31 VAL H 1.0 . 4.8000 217 217 A 30 LYS HGy A 31 VAL H 1.0 . 4.7000 218 218 A 31 VAL H A 31 VAL HA 1.0 . 3.4000 219 219 A 31 VAL H A 31 VAL HB 1.0 . 3.2000 220 220 A 31 VAL H A 34 SER HBx 1.0 . 4.9900 221 221 A 31 VAL H A 34 SER HBy 1.0 . 4.3250 222 222 A 31 VAL H A 35 ILE HB 1.0 . 4.2000 223 223 A 29 VAL H A 32 TRP H 1.0 . 3.8000 224 224 A 29 VAL HA A 32 TRP H 1.0 . 5.2000 225 225 A 32 TRP H A 32 TRP HBx 1.0 . 5.8000 226 226 A 31 VAL H A 33 GLY H 1.0 . 6.0000 227 227 A 32 TRP HBx A 33 GLY H 1.0 . 6.0000 228 228 A 33 GLY H A 33 GLY HA2 1.0 . 6.0000 229 229 A 33 GLY H A 33 GLY HA3 1.0 . 6.0000 230 230 A 33 GLY H A 34 SER HA 1.0 . 6.0000 231 231 A 33 GLY H A 36 LYS HDy 1.0 . 6.0000 232 232 A 33 GLY HA3 A 36 LYS H 1.0 . 5.1000 233 233 A 30 LYS HA A 34 SER H 1.0 . 4.9000 234 234 A 34 SER HA A 34 SER H 1.0 . 3.2000 235 235 A 34 SER HBx A 34 SER H 1.0 . 3.2000 236 236 A 34 SER HBy A 34 SER H 1.0 . 3.4000 237 237 A 34 SER H A 35 ILE H 1.0 . 3.5000 238 238 A 35 ILE HB A 34 SER H 1.0 . 4.9000 239 239 A 34 SER H A 35 ILE HG1x 1.0 . 4.6000 240 240 A 34 SER H A 35 ILE HG1y 1.0 . 4.4000 241 241 A 36 LYS H A 34 SER H 1.0 . 3.8000 242 242 A 34 SER H A 38 LEU HBx 1.0 . 4.8000 243 243 A 34 SER HBx A 38 LEU H 1.0 . 4.2600 244 244 A 34 SER HBy A 36 LYS H 1.0 . 5.2300 245 245 A 34 SER HA A 35 ILE H 1.0 . 4.2000 246 246 A 34 SER HBy A 35 ILE H 1.0 . 4.3000 247 247 A 35 ILE H A 35 ILE HA 1.0 . 3.2000 248 248 A 35 ILE HB A 35 ILE H 1.0 . 3.7000 249 249 A 35 ILE H A 35 ILE HG1x 1.0 . 4.1000 250 250 A 35 ILE H A 35 ILE HG1y 1.0 . 4.0000 251 251 A 36 LYS H A 35 ILE H 1.0 . 3.7000 252 252 A 35 ILE H A 39 THR H 1.0 . 4.1550 253 253 A 35 ILE H A 39 THR HG1 1.0 . 4.1000 254 254 A 34 SER HBy A 36 LYS H 1.0 . 4.0000 255 255 A 36 LYS H A 35 ILE H 1.0 . 4.1000 256 256 A 36 LYS H A 35 ILE HA 1.0 . 3.4000 257 257 A 35 ILE HB A 36 LYS H 1.0 . 4.0000 258 258 A 36 LYS H A 36 LYS HBy 1.0 . 5.2000 259 259 A 36 LYS HDy A 36 LYS H 1.0 . 3.5000 260 260 A 36 LYS H A 36 LYS HEx 1.0 . 5.0000 261 261 A 36 LYS H A 38 LEU H 1.0 . 4.3000 262 262 A 36 LYS H A 40 GLU HA 1.0 . 5.6000 263 263 A 36 LYS H A 40 GLU HBy 1.0 . 3.6000 264 264 A 37 GLY H A 36 LYS HA 1.0 . 5.4000 265 265 A 37 GLY H A 37 GLY HA3 1.0 . 5.0000 266 266 A 37 GLY H A 38 LEU HA 1.0 . 6.0000 267 267 A 40 GLU HA A 37 GLY H 1.0 . 6.0000 268 268 A 34 SER H A 38 LEU H 1.0 . 4.2000 269 269 A 35 ILE H A 38 LEU H 1.0 . 4.9000 270 270 A 38 LEU H A 37 GLY H 1.0 . 4.1000 271 271 A 38 LEU H A 38 LEU HA 1.0 . 3.7000 272 272 A 38 LEU HBx A 38 LEU H 1.0 . 3.1000 273 273 A 38 LEU H A 38 LEU HG 1.0 . 3.2000 274 274 A 38 LEU H A 39 THR H 1.0 . 5.2000 275 275 A 38 LEU H A 40 GLU H 1.0 . 4.9000 276 276 A 38 LEU H A 41 GLY HA3 1.0 . 5.3850 277 277 A 38 LEU HA A 40 GLU H 1.0 . 4.9000 278 278 A 39 THR H A 37 GLY H 1.0 . 4.9000 279 279 A 39 THR H A 39 THR HA 1.0 . 6.0000 280 280 A 39 THR H A 39 THR HB 1.0 . 6.0000 281 281 A 39 THR H A 39 THR HG1 1.0 . 6.0000 282 282 A 39 THR H A 40 GLU H 1.0 . 6.0000 283 283 A 39 THR H A 41 GLY H 1.0 . 5.3000 284 284 A 39 THR HB A 42 LEU H 1.0 . 5.9600 285 285 A 39 THR HG1 A 42 LEU H 1.0 . 5.9000 286 286 A 37 GLY HA3 A 40 GLU H 1.0 . 4.4000 287 287 A 39 THR H A 40 GLU H 1.0 . 4.0000 288 288 A 40 GLU H A 39 THR HB 1.0 . 3.6000 289 289 A 39 THR HG1 A 40 GLU H 1.0 . 6.0000 290 290 A 40 GLU HBy A 40 GLU H 1.0 . 2.9000 291 291 A 40 GLU H A 40 GLU HGy 1.0 . 3.5000 292 292 A 40 GLU H A 41 GLY H 1.0 . 3.5000 293 293 A 40 GLU H A 41 GLY HA2 1.0 . 4.8400 294 294 A 40 GLU H A 42 LEU H 1.0 . 5.4000 295 295 A 40 GLU H A 42 LEU HBx 1.0 . 6.0000 296 296 A 40 GLU H A 44 GLY HA3 1.0 . 4.3350 297 297 A 41 GLY H A 44 GLY HA2 1.0 . 5.8500 298 298 A 38 LEU HA A 42 LEU H 1.0 . 4.1000 299 299 A 40 GLU HBy A 42 LEU H 1.0 . 5.2000 300 300 A 41 GLY H A 42 LEU H 1.0 . 3.1000 301 301 A 42 LEU H A 41 GLY HA2 1.0 . 3.5000 302 302 A 41 GLY HA3 A 42 LEU H 1.0 . 3.4000 303 303 A 42 LEU H A 42 LEU HA 1.0 . 3.2000 304 304 A 42 LEU H A 42 LEU HBx 1.0 . 3.0000 305 305 A 42 LEU H A 42 LEU HG 1.0 . 3.4000 306 306 A 42 LEU H A 43 HIS HBx 1.0 . 4.8000 307 307 A 42 LEU H A 43 HIS HBy 1.0 . 5.3000 308 308 A 42 LEU H A 44 GLY HA3 1.0 . 4.8550 309 309 A 42 LEU HA A 46 HIS H 1.0 . 3.6350 310 310 A 42 LEU HBx A 46 HIS H 1.0 . 4.8150 311 311 A 42 LEU HG A 43 HIS H 1.0 . 4.3100 312 312 A 40 GLU H A 43 HIS H 1.0 . 4.6000 313 313 A 40 GLU HA A 43 HIS H 1.0 . 4.6000 314 314 A 41 GLY HA3 A 43 HIS H 1.0 . 5.2000 315 315 A 42 LEU HG A 43 HIS H 1.0 . 3.6000 316 316 A 43 HIS H A 43 HIS HA 1.0 . 3.5000 317 317 A 43 HIS HBx A 43 HIS H 1.0 . 3.1000 318 318 A 43 HIS HBy A 43 HIS H 1.0 . 3.2000 319 319 A 43 HIS H A 43 HIS HD1 1.0 . 4.4000 320 320 A 43 HIS H A 44 GLY H 1.0 . 3.6000 321 321 A 43 HIS H A 45 PHE H 1.0 . 4.6000 322 322 A 43 HIS H A 45 PHE HBy 1.0 . 5.1100 323 323 A 43 HIS H A 46 HIS HD1 1.0 . 5.2000 324 324 A 43 HIS HBy A 47 VAL H 1.0 . 5.5450 325 325 A 43 HIS H A 44 GLY H 1.0 . 6.0000 326 326 A 43 HIS HA A 44 GLY H 1.0 . 6.0000 327 327 A 43 HIS HBx A 44 GLY H 1.0 . 6.0000 328 328 A 44 GLY HA2 A 44 GLY H 1.0 . 6.0000 329 329 A 44 GLY HA3 A 44 GLY H 1.0 . 6.0000 330 330 A 44 GLY H A 45 PHE H 1.0 . 6.0000 331 331 A 44 GLY H A 45 PHE H 1.0 . 3.2000 332 332 A 44 GLY HA2 A 45 PHE H 1.0 . 3.4000 333 333 A 44 GLY HA3 A 45 PHE H 1.0 . 3.4000 334 334 A 45 PHE H A 45 PHE HA 1.0 . 3.2000 335 335 A 46 HIS H A 45 PHE H 1.0 . 3.5000 336 336 A 46 HIS H A 43 HIS H 1.0 . 3.6000 337 337 A 46 HIS H A 44 GLY H 1.0 . 3.6000 338 338 A 46 HIS H A 45 PHE H 1.0 . 3.6000 339 339 A 46 HIS H A 45 PHE HA 1.0 . 2.8000 340 340 A 46 HIS H A 46 HIS HA 1.0 . 4.7000 341 341 A 46 HIS H A 46 HIS HBx 1.0 . 3.4000 342 342 A 46 HIS H A 46 HIS HBy 1.0 . 2.8000 343 343 A 46 HIS H A 46 HIS HD1 1.0 . 3.5000 344 344 A 46 HIS H A 48 HIS HBx 1.0 . 4.7600 345 345 A 46 HIS H A 49 GLU HA 1.0 . 4.2800 346 346 A 47 VAL H A 47 VAL HA 1.0 . 4.0000 347 347 A 47 VAL H A 47 VAL HB 1.0 . 3.6000 348 348 A 47 VAL H A 48 HIS H 1.0 . 4.7000 349 349 A 47 VAL H A 49 GLU HA 1.0 . 5.0850 350 350 A 44 GLY H A 48 HIS H 1.0 . 4.8000 351 351 A 48 HIS H A 48 HIS HA 1.0 . 3.5000 352 352 A 48 HIS HBx A 48 HIS H 1.0 . 3.2000 353 353 A 48 HIS H A 48 HIS HBy 1.0 . 3.7000 354 354 A 48 HIS HA A 49 GLU H 1.0 . 5.0000 355 355 A 49 GLU H A 49 GLU HBx 1.0 . 3.0000 356 356 A 49 GLU H A 49 GLU HGx 1.0 . 3.4000 357 357 A 49 GLU H A 50 PHE HA 1.0 . 5.0000 358 358 A 49 GLU H A 51 GLY H 1.0 . 4.0550 359 359 A 49 GLU H A 53 ASN H 1.0 . 4.1000 360 360 A 48 HIS HBx A 50 PHE H 1.0 . 6.0000 361 361 A 48 HIS HBy A 50 PHE H 1.0 . 6.0000 362 362 A 49 GLU HA A 50 PHE H 1.0 . 6.0000 363 363 A 50 PHE HA A 50 PHE H 1.0 . 6.0000 364 364 A 50 PHE H A 50 PHE HBy 1.0 . 6.0000 365 365 A 49 GLU HBx A 51 GLY H 1.0 . 6.0000 366 366 A 50 PHE HA A 51 GLY H 1.0 . 6.0000 367 367 A 51 GLY H A 51 GLY HA3 1.0 . 6.0000 368 368 A 51 GLY H A 53 ASN HA 1.0 . 6.0000 369 369 A 51 GLY HA3 A 52 ASP H 1.0 . 2.8000 370 370 A 52 ASP H A 52 ASP HA 1.0 . 3.1000 371 371 A 52 ASP H A 52 ASP HBx 1.0 . 3.4000 372 372 A 52 ASP H A 52 ASP HBy 1.0 . 3.1000 373 373 A 52 ASP H A 55 ALA HA 1.0 . 5.0000 374 374 A 49 GLU HA A 53 ASN H 1.0 . 4.8000 375 375 A 53 ASN H A 53 ASN HBx 1.0 . 4.4000 376 376 A 53 ASN H A 53 ASN HBy 1.0 . 3.2000 377 377 A 52 ASP HBy A 54 THR H 1.0 . 4.9000 378 378 A 53 ASN HBx A 54 THR H 1.0 . 3.8000 379 379 A 54 THR H A 54 THR HA 1.0 . 3.2000 380 380 A 54 THR H A 54 THR HG1 1.0 . 3.5000 381 381 A 55 ALA HA A 54 THR H 1.0 . 3.7350 382 382 A 54 THR H A 55 ALA HB1 1.0 . 5.2000 383 383 A 54 THR H A 57 CYS H 1.0 . 3.7000 384 384 A 54 THR H A 58 THR H 1.0 . 4.6000 385 385 A 54 THR HA A 55 ALA H 1.0 . 5.5000 386 386 A 55 ALA HA A 55 ALA H 1.0 . 5.5000 387 387 A 55 ALA HB1 A 55 ALA H 1.0 . 5.6000 388 388 A 55 ALA H A 58 THR HG1 1.0 . 4.0000 389 389 A 55 ALA HA A 56 GLY H 1.0 . 5.8000 390 390 A 56 GLY H A 56 GLY HA2 1.0 . 6.0000 391 391 A 56 GLY H A 56 GLY HA3 1.0 . 6.0000 392 392 A 56 GLY H A 57 CYS HA 1.0 . 6.0000 393 393 A 55 ALA HB1 A 57 CYS H 1.0 . 5.2000 394 394 A 57 CYS H A 56 GLY HA3 1.0 . 2.9000 395 395 A 57 CYS H A 57 CYS HA 1.0 . 3.4000 396 396 A 57 CYS H A 57 CYS HBx 1.0 . 3.2000 397 397 A 55 ALA HA A 58 THR H 1.0 . 4.3000 398 398 A 57 CYS H A 58 THR H 1.0 . 4.3000 399 399 A 58 THR H A 57 CYS HA 1.0 . 4.8000 400 400 A 58 THR H A 57 CYS HBx 1.0 . 4.0000 401 401 A 58 THR H A 58 THR HA 1.0 . 3.7000 402 402 A 58 THR H A 58 THR HG1 1.0 . 3.8000 403 403 A 58 THR H A 59 SER H 1.0 . 3.2000 404 404 A 58 THR H A 60 ALA H 1.0 . 3.2000 405 405 A 58 THR H A 60 ALA HA 1.0 . 5.4000 406 406 A 58 THR H A 61 GLY H 1.0 . 6.0000 407 407 A 55 ALA HA A 59 SER H 1.0 . 3.8000 408 408 A 56 GLY H A 59 SER H 1.0 . 4.2000 409 409 A 57 CYS H A 59 SER H 1.0 . 4.8000 410 410 A 58 THR HA A 59 SER H 1.0 . 3.0000 411 411 A 58 THR HG1 A 59 SER H 1.0 . 4.9000 412 412 A 59 SER H A 59 SER HBy 1.0 . 3.6000 413 413 A 59 SER H A 60 ALA H 1.0 . 6.0000 414 414 A 59 SER H A 60 ALA HA 1.0 . 5.8000 415 415 A 59 SER H A 60 ALA HB1 1.0 . 5.2000 416 416 A 59 SER H A 61 GLY HA3 1.0 . 4.5750 417 417 A 56 GLY HA3 A 60 ALA H 1.0 . 5.2000 418 418 A 57 CYS H A 60 ALA H 1.0 . 5.9000 419 419 A 58 THR H A 60 ALA H 1.0 . 3.8000 420 420 A 60 ALA H A 59 SER HA 1.0 . 5.2000 421 421 A 60 ALA H A 60 ALA HA 1.0 . 6.0000 422 422 A 60 ALA H A 60 ALA HB1 1.0 . 4.1000 423 423 A 58 THR HA A 61 GLY H 1.0 . 4.8000 424 424 A 60 ALA HA A 61 GLY H 1.0 . 6.0000 425 425 A 61 GLY H A 60 ALA HB1 1.0 . 6.0000 426 426 A 61 GLY H A 61 GLY HA3 1.0 . 3.8000 427 427 A 63 HIS H A 63 HIS HA 1.0 . 4.9000 428 428 A 63 HIS H A 63 HIS HBx 1.0 . 4.4000 429 429 A 63 HIS H A 63 HIS HBy 1.0 . 4.7000 430 430 A 63 HIS H A 65 ASN H 1.0 . 5.2000 431 431 A 63 HIS HBx A 64 PHE H 1.0 . 4.9000 432 432 A 64 PHE H A 64 PHE HA 1.0 . 3.5000 433 433 A 64 PHE H A 64 PHE HBx 1.0 . 3.1000 434 434 A 64 PHE H A 64 PHE HBy 1.0 . 3.2000 435 435 A 65 ASN H A 64 PHE HBx 1.0 . 5.0000 436 436 A 65 ASN H A 65 ASN HA 1.0 . 3.4000 437 437 A 65 ASN H A 65 ASN HBx 1.0 . 4.8000 438 438 A 65 ASN H A 65 ASN HBy 1.0 . 4.9000 439 439 A 65 ASN HA A 67 LEU H 1.0 . 4.3000 440 440 A 67 LEU H A 67 LEU HA 1.0 . 2.9000 441 441 A 67 LEU H A 67 LEU HBx 1.0 . 3.1000 442 442 A 67 LEU H A 67 LEU HG 1.0 . 3.1000 443 443 A 67 LEU H A 68 SER H 1.0 . 3.2000 444 444 A 67 LEU H A 68 SER HA 1.0 . 4.4000 445 445 A 67 LEU H A 69 ARG HGy 1.0 . 3.5100 446 446 A 67 LEU H A 70 LYS HDy 1.0 . 3.5600 447 447 A 67 LEU HA A 71 HIS H 1.0 . 5.3550 448 448 A 65 ASN HA A 68 SER H 1.0 . 5.3000 449 449 A 65 ASN HBx A 68 SER H 1.0 . 4.4000 450 450 A 65 ASN HBy A 68 SER H 1.0 . 5.6000 451 451 A 67 LEU H A 68 SER H 1.0 . 3.1000 452 452 A 67 LEU HA A 68 SER H 1.0 . 3.0000 453 453 A 67 LEU HBx A 68 SER H 1.0 . 3.8000 454 454 A 67 LEU HG A 68 SER H 1.0 . 3.7000 455 455 A 68 SER H A 68 SER HA 1.0 . 3.2000 456 456 A 68 SER H A 68 SER HBx 1.0 . 3.1000 457 457 A 68 SER HA A 69 ARG H 1.0 . 3.0000 458 458 A 68 SER H A 69 ARG H 1.0 . 6.0000 459 459 A 68 SER HBx A 69 ARG H 1.0 . 5.5000 460 460 A 69 ARG H A 69 ARG HA 1.0 . 4.6000 461 461 A 69 ARG H A 69 ARG HBx 1.0 . 3.4650 462 462 A 69 ARG H A 69 ARG HBy 1.0 . 3.0000 463 463 A 69 ARG H A 69 ARG HDx 1.0 . 6.0000 464 464 A 69 ARG HGy A 69 ARG H 1.0 . 3.7000 465 465 A 69 ARG H A 70 LYS HA 1.0 . 4.7000 466 466 A 69 ARG H A 70 LYS HBx 1.0 . 3.7150 467 467 A 69 ARG HBy A 70 LYS H 1.0 . 4.2150 468 468 A 69 ARG H A 70 LYS H 1.0 . 4.9000 469 469 A 69 ARG HA A 70 LYS H 1.0 . 3.6000 470 470 A 69 ARG HBy A 70 LYS H 1.0 . 4.9000 471 471 A 69 ARG HGy A 70 LYS H 1.0 . 4.1000 472 472 A 70 LYS HA A 70 LYS H 1.0 . 4.0000 473 473 A 70 LYS HBx A 70 LYS H 1.0 . 4.3000 474 474 A 70 LYS HDy A 70 LYS H 1.0 . 4.0000 475 475 A 70 LYS H A 70 LYS HEy 1.0 . 4.2000 476 476 A 70 LYS H A 70 LYS HGx 1.0 . 4.3000 477 477 A 70 LYS H A 73 GLY HA2 1.0 . 4.2000 478 478 A 71 HIS H A 71 HIS HA 1.0 . 4.1000 479 479 A 71 HIS H A 71 HIS HBx 1.0 . 3.4000 480 480 A 71 HIS H A 71 HIS HBy 1.0 . 3.6000 481 481 A 69 ARG HDx A 72 GLY H 1.0 . 6.0000 482 482 A 72 GLY H A 72 GLY HA3 1.0 . 6.0000 483 483 A 72 GLY H A 73 GLY H 1.0 . 5.2000 484 484 A 72 GLY HA3 A 73 GLY H 1.0 . 3.0000 485 485 A 75 LYS H A 75 LYS HDy 1.0 . 3.6000 486 486 A 75 LYS H A 75 LYS HGy 1.0 . 4.2000 487 487 A 75 LYS H A 76 ASP H 1.0 . 4.9000 488 488 A 75 LYS H A 77 GLU H 1.0 . 4.2000 489 489 A 75 LYS H A 77 GLU HGy 1.0 . 4.1050 490 490 A 75 LYS H A 78 GLU H 1.0 . 6.0000 491 491 A 75 LYS H A 78 GLU HBx 1.0 . 4.2000 492 492 A 75 LYS H A 79 ARG HBx 1.0 . 4.0000 493 493 A 75 LYS H A 79 ARG HBy 1.0 . 4.8000 494 494 A 75 LYS H A 77 GLU H 1.0 . 4.3000 495 495 A 75 LYS HDy A 77 GLU H 1.0 . 6.0000 496 496 A 76 ASP H A 77 GLU H 1.0 . 6.0000 497 497 A 77 GLU H A 76 ASP HBx 1.0 . 5.9000 498 498 A 77 GLU H A 77 GLU HA 1.0 . 5.8000 499 499 A 77 GLU H A 77 GLU HGx 1.0 . 6.0000 500 500 A 77 GLU H A 77 GLU HGy 1.0 . 4.9000 501 501 A 77 GLU H A 78 GLU H 1.0 . 5.3000 502 502 A 77 GLU H A 78 GLU HGx 1.0 . 6.0000 503 503 A 77 GLU HBy A 79 ARG H 1.0 . 5.9550 504 504 A 77 GLU HGx A 79 ARG H 1.0 . 4.3100 505 505 A 75 LYS H A 78 GLU H 1.0 . 5.5000 506 506 A 77 GLU H A 78 GLU H 1.0 . 4.3000 507 507 A 78 GLU H A 78 GLU HA 1.0 . 3.8000 508 508 A 78 GLU H A 78 GLU HBx 1.0 . 3.2000 509 509 A 78 GLU H A 78 GLU HBy 1.0 . 3.5000 510 510 A 78 GLU H A 78 GLU HGx 1.0 . 3.2000 511 511 A 78 GLU H A 80 HIS HBx 1.0 . 3.8000 512 512 A 78 GLU H A 80 HIS HBy 1.0 . 4.3350 513 513 A 78 GLU HA A 80 HIS H 1.0 . 3.3450 514 514 A 75 LYS HDy A 79 ARG H 1.0 . 4.6000 515 515 A 76 ASP H A 79 ARG H 1.0 . 5.0000 516 516 A 79 ARG H A 78 GLU HBy 1.0 . 3.7000 517 517 A 79 ARG H A 79 ARG HA 1.0 . 3.4000 518 518 A 79 ARG HBx A 79 ARG H 1.0 . 3.1000 519 519 A 79 ARG HBy A 79 ARG H 1.0 . 4.7000 520 520 A 79 ARG H A 79 ARG HDx 1.0 . 5.0000 521 521 A 79 ARG H A 79 ARG HGx 1.0 . 4.1000 522 522 A 79 ARG H A 79 ARG HGy 1.0 . 4.2000 523 523 A 79 ARG H A 81 VAL H 1.0 . 3.9600 524 524 A 79 ARG H A 82 GLY HA2 1.0 . 5.9000 525 525 A 79 ARG HA A 81 VAL H 1.0 . 3.6500 526 526 A 77 GLU HA A 80 HIS H 1.0 . 4.9000 527 527 A 80 HIS H A 80 HIS HA 1.0 . 3.4000 528 528 A 80 HIS HBx A 80 HIS H 1.0 . 3.4000 529 529 A 80 HIS HBy A 80 HIS H 1.0 . 3.7000 530 530 A 80 HIS H A 81 VAL H 1.0 . 4.5000 531 531 A 80 HIS H A 81 VAL H 1.0 . 3.5000 532 532 A 80 HIS HBx A 81 VAL H 1.0 . 3.5000 533 533 A 81 VAL H A 81 VAL HB 1.0 . 4.6000 534 534 A 81 VAL H A 82 GLY HA3 1.0 . 4.1000 535 535 A 80 HIS H A 82 GLY H 1.0 . 6.0000 536 536 A 80 HIS HA A 82 GLY H 1.0 . 4.8000 537 537 A 80 HIS HBy A 82 GLY H 1.0 . 4.9000 538 538 A 81 VAL H A 82 GLY H 1.0 . 3.6000 539 539 A 82 GLY HA2 A 82 GLY H 1.0 . 4.2000 540 540 A 82 GLY HA3 A 82 GLY H 1.0 . 4.0000 541 541 A 82 GLY H A 83 ASP H 1.0 . 3.3200 542 542 A 82 GLY H A 84 LEU H 1.0 . 3.6000 543 543 A 82 GLY H A 85 GLY HA3 1.0 . 6.0000 544 544 A 82 GLY HA3 A 85 GLY H 1.0 . 5.0300 545 545 A 81 VAL HB A 83 ASP H 1.0 . 5.5000 546 546 A 82 GLY H A 83 ASP H 1.0 . 3.6000 547 547 A 83 ASP H A 83 ASP HA 1.0 . 3.2000 548 548 A 83 ASP H A 83 ASP HBx 1.0 . 3.1000 549 549 A 83 ASP H A 84 LEU H 1.0 . 5.3000 550 550 A 83 ASP H A 86 ASN HBy 1.0 . 5.5000 551 551 A 83 ASP H A 87 VAL H 1.0 . 4.5175 552 552 A 83 ASP H A 87 VAL HB 1.0 . 5.4000 553 553 A 82 GLY H A 84 LEU H 1.0 . 6.0000 554 554 A 82 GLY HA3 A 84 LEU H 1.0 . 5.6000 555 555 A 83 ASP H A 84 LEU H 1.0 . 3.6000 556 556 A 84 LEU H A 83 ASP HBx 1.0 . 4.0000 557 557 A 84 LEU H A 84 LEU HA 1.0 . 3.1000 558 558 A 84 LEU H A 84 LEU HBy 1.0 . 4.0450 559 559 A 84 LEU H A 84 LEU HG 1.0 . 4.4000 560 560 A 84 LEU H A 86 ASN HA 1.0 . 5.1800 561 561 A 84 LEU H A 86 ASN HBx 1.0 . 4.0000 562 562 A 84 LEU H A 86 ASN HBy 1.0 . 4.0450 563 563 A 84 LEU H A 88 THR HB 1.0 . 5.6000 564 564 A 85 GLY H A 85 GLY HA2 1.0 . 2.9000 565 565 A 85 GLY HA3 A 85 GLY H 1.0 . 5.6000 566 566 A 85 GLY H A 88 THR HA 1.0 . 6.0000 567 567 A 85 GLY H A 89 ALA HB1 1.0 . 3.8000 568 568 A 85 GLY HA3 A 87 VAL H 1.0 . 4.7500 569 569 A 85 GLY HA3 A 86 ASN H 1.0 . 3.1000 570 570 A 86 ASN HA A 86 ASN H 1.0 . 3.1000 571 571 A 86 ASN HBx A 86 ASN H 1.0 . 3.5000 572 572 A 86 ASN HBy A 86 ASN H 1.0 . 3.1000 573 573 A 83 ASP HA A 87 VAL H 1.0 . 4.2000 574 574 A 87 VAL H A 86 ASN H 1.0 . 4.2000 575 575 A 87 VAL H A 86 ASN HA 1.0 . 4.4000 576 576 A 87 VAL H A 86 ASN HBx 1.0 . 3.8000 577 577 A 87 VAL H A 87 VAL HA 1.0 . 3.1000 578 578 A 87 VAL H A 87 VAL HB 1.0 . 3.0000 579 579 A 87 VAL H A 88 THR HB 1.0 . 4.4600 580 580 A 84 LEU H A 88 THR H 1.0 . 5.9000 581 581 A 85 GLY H A 88 THR H 1.0 . 5.9000 582 582 A 86 ASN H A 88 THR H 1.0 . 5.9000 583 583 A 87 VAL HA A 88 THR H 1.0 . 3.1000 584 584 A 87 VAL HB A 88 THR H 1.0 . 3.7000 585 585 A 88 THR HB A 88 THR H 1.0 . 3.1000 586 586 A 88 THR H A 88 THR HG1 1.0 . 3.4000 587 587 A 88 THR H A 89 ALA H 1.0 . 6.0000 588 588 A 89 ALA HB1 A 88 THR H 1.0 . 4.6000 589 589 A 88 THR H A 90 ASP H 1.0 . 4.6000 590 590 A 88 THR H A 90 ASP HA 1.0 . 6.0000 591 591 A 88 THR H A 92 ASP H 1.0 . 5.9000 592 592 A 85 GLY HA2 A 89 ALA H 1.0 . 4.8000 593 593 A 86 ASN HBx A 89 ALA H 1.0 . 4.6000 594 594 A 88 THR H A 89 ALA H 1.0 . 6.0000 595 595 A 88 THR HB A 89 ALA H 1.0 . 5.5000 596 596 A 89 ALA H A 89 ALA HA 1.0 . 4.3000 597 597 A 89 ALA HB1 A 89 ALA H 1.0 . 4.0000 598 598 A 89 ALA H A 90 ASP HA 1.0 . 5.0000 599 599 A 86 ASN HA A 90 ASP H 1.0 . 4.4000 600 600 A 90 ASP H A 90 ASP HA 1.0 . 3.2000 601 601 A 90 ASP H A 90 ASP HBx 1.0 . 3.1000 602 602 A 90 ASP H A 90 ASP HBy 1.0 . 3.1000 603 603 A 90 ASP H A 93 GLY H 1.0 . 4.9950 604 604 A 91 LYS H A 91 LYS HA 1.0 . 5.2000 605 605 A 91 LYS H A 91 LYS HBy 1.0 . 4.7000 606 606 A 91 LYS H A 91 LYS HGy 1.0 . 6.0000 607 607 A 91 LYS H A 94 VAL HB 1.0 . 6.0000 608 608 A 88 THR HB A 92 ASP H 1.0 . 3.0000 609 609 A 92 ASP H A 91 LYS HBy 1.0 . 3.8000 610 610 A 92 ASP H A 91 LYS HDx 1.0 . 4.6000 611 611 A 92 ASP H A 91 LYS HGy 1.0 . 4.0000 612 612 A 92 ASP H A 92 ASP HA 1.0 . 3.0000 613 613 A 92 ASP H A 92 ASP HBx 1.0 . 3.1000 614 614 A 92 ASP H A 92 ASP HBy 1.0 . 3.3300 615 615 A 92 ASP H A 93 GLY H 1.0 . 3.0000 616 616 A 92 ASP H A 94 VAL H 1.0 . 5.2000 617 617 A 92 ASP H A 95 ALA H 1.0 . 4.4700 618 618 A 92 ASP H A 96 ASP HBx 1.0 . 4.2775 619 619 A 93 GLY H A 92 ASP HA 1.0 . 4.0300 620 620 A 92 ASP HBx A 94 VAL H 1.0 . 5.5050 621 621 A 93 GLY H A 92 ASP HA 1.0 . 6.0000 622 622 A 93 GLY H A 94 VAL H 1.0 . 3.2000 623 623 A 93 GLY H A 95 ALA HB1 1.0 . 4.7000 624 624 A 93 GLY HA3 A 96 ASP H 1.0 . 5.7550 625 625 A 93 GLY HA3 A 97 VAL H 1.0 . 4.6550 626 626 A 92 ASP HA A 94 VAL H 1.0 . 4.3000 627 627 A 92 ASP HBx A 94 VAL H 1.0 . 4.4000 628 628 A 93 GLY H A 94 VAL H 1.0 . 3.1000 629 629 A 94 VAL H A 94 VAL HA 1.0 . 3.2000 630 630 A 94 VAL H A 95 ALA H 1.0 . 3.2000 631 631 A 94 VAL H A 97 VAL H 1.0 . 4.2000 632 632 A 94 VAL H A 97 VAL HA 1.0 . 5.7750 633 633 A 94 VAL H A 98 SER HBx 1.0 . 6.0000 634 634 A 94 VAL HB A 97 VAL H 1.0 . 4.9850 635 635 A 95 ALA H A 99 ILE H 1.0 . 5.3000 636 636 A 92 ASP H A 95 ALA H 1.0 . 3.8000 637 637 A 93 GLY H A 95 ALA H 1.0 . 3.8000 638 638 A 94 VAL H A 95 ALA H 1.0 . 3.4000 639 639 A 95 ALA H A 94 VAL HA 1.0 . 4.8000 640 640 A 94 VAL HB A 95 ALA H 1.0 . 3.6000 641 641 A 95 ALA H A 95 ALA HA 1.0 . 3.2000 642 642 A 95 ALA H A 95 ALA HB1 1.0 . 4.6000 643 643 A 95 ALA H A 97 VAL H 1.0 . 4.7000 644 644 A 95 ALA H A 98 SER H 1.0 . 4.9000 645 645 A 95 ALA HB1 A 97 VAL H 1.0 . 5.4000 646 646 A 96 ASP H A 99 ILE H 1.0 . 4.8000 647 647 A 96 ASP H A 99 ILE HB 1.0 . 5.2000 648 648 A 94 VAL H A 96 ASP H 1.0 . 4.9000 649 649 A 96 ASP H A 94 VAL HA 1.0 . 4.1000 650 650 A 96 ASP H A 95 ALA HA 1.0 . 2.9000 651 651 A 96 ASP H A 96 ASP HA 1.0 . 4.1000 652 652 A 96 ASP HBx A 96 ASP H 1.0 . 2.9000 653 653 A 96 ASP H A 97 VAL H 1.0 . 3.2000 654 654 A 96 ASP H A 98 SER H 1.0 . 4.4000 655 655 A 93 GLY HA3 A 97 VAL H 1.0 . 4.9000 656 656 A 97 VAL H A 95 ALA HA 1.0 . 4.4000 657 657 A 95 ALA HB1 A 97 VAL H 1.0 . 5.4000 658 658 A 96 ASP H A 97 VAL H 1.0 . 3.4000 659 659 A 97 VAL H A 97 VAL HA 1.0 . 3.2000 660 660 A 97 VAL H A 98 SER H 1.0 . 3.7000 661 661 A 97 VAL H A 98 SER HA 1.0 . 5.0900 662 662 A 99 ILE H A 98 SER H 1.0 . 3.7000 663 663 A 98 SER H A 99 ILE HA 1.0 . 4.8550 664 664 A 98 SER H A 99 ILE HB 1.0 . 5.4000 665 665 A 98 SER H A 101 ASP HBy 1.0 . 5.4500 666 666 A 95 ALA HA A 98 SER H 1.0 . 5.8500 667 667 A 97 VAL HA A 98 SER H 1.0 . 3.0000 668 668 A 98 SER H A 97 VAL HB 1.0 . 3.6000 669 669 A 98 SER H A 98 SER HA 1.0 . 3.5000 670 670 A 99 ILE H A 99 ILE HA 1.0 . 3.7000 671 671 A 99 ILE H A 99 ILE HB 1.0 . 3.6000 672 672 A 99 ILE H A 99 ILE HG1x 1.0 . 4.6000 673 673 A 99 ILE H A 102 SER HBy 1.0 . 6.0000 674 674 A 99 ILE H A 97 VAL HB 1.0 . 6.0000 675 675 A 99 ILE H A 98 SER HA 1.0 . 6.0000 676 676 A 99 ILE HA A 101 ASP H 1.0 . 4.7000 677 677 A 99 ILE HB A 102 SER H 1.0 . 5.2000 678 678 A 99 ILE HB A 103 VAL H 1.0 . 6.0000 679 679 A 99 ILE HB A 100 GLU H 1.0 . 3.5000 680 680 A 100 GLU H A 100 GLU HA 1.0 . 5.0000 681 681 A 100 GLU H A 100 GLU HBx 1.0 . 3.1000 682 682 A 100 GLU H A 100 GLU HGx 1.0 . 4.9000 683 683 A 100 GLU H A 100 GLU HGy 1.0 . 3.8000 684 684 A 101 ASP H A 100 GLU H 1.0 . 3.6000 685 685 A 101 ASP HBy A 100 GLU H 1.0 . 4.6000 686 686 A 102 SER H A 100 GLU H 1.0 . 4.6000 687 687 A 100 GLU H A 103 VAL HB 1.0 . 5.2000 688 688 A 98 SER H A 100 GLU H 1.0 . 4.6000 689 689 A 98 SER HA A 100 GLU H 1.0 . 4.9000 690 690 A 99 ILE HB A 101 ASP H 1.0 . 4.9000 691 691 A 101 ASP H A 100 GLU HGx 1.0 . 4.7000 692 692 A 101 ASP H A 100 GLU HGy 1.0 . 4.8000 693 693 A 101 ASP H A 101 ASP HA 1.0 . 3.5000 694 694 A 101 ASP HBy A 101 ASP H 1.0 . 3.1000 695 695 A 101 ASP H A 102 SER H 1.0 . 3.6000 696 696 A 101 ASP H A 102 SER HA 1.0 . 5.0000 697 697 A 101 ASP H A 102 SER HBx 1.0 . 4.3450 698 698 A 101 ASP H A 104 ILE H 1.0 . 5.0000 699 699 A 102 SER H A 100 GLU HA 1.0 . 4.3000 700 700 A 102 SER H A 100 GLU HBx 1.0 . 4.7000 701 701 A 102 SER H A 101 ASP HA 1.0 . 3.6000 702 702 A 101 ASP HBy A 102 SER H 1.0 . 3.2000 703 703 A 102 SER H A 102 SER HA 1.0 . 3.1000 704 704 A 102 SER H A 102 SER HBx 1.0 . 3.0000 705 705 A 102 SER HBy A 102 SER H 1.0 . 3.2000 706 706 A 102 SER H A 103 VAL HB 1.0 . 4.2000 707 707 A 102 SER H A 104 ILE HB 1.0 . 5.0500 708 708 A 102 SER H A 105 SER H 1.0 . 4.9000 709 709 A 99 ILE HA A 103 VAL H 1.0 . 5.8000 710 710 A 99 ILE HB A 103 VAL H 1.0 . 5.7000 711 711 A 101 ASP H A 103 VAL H 1.0 . 4.6000 712 712 A 103 VAL H A 101 ASP HA 1.0 . 4.9000 713 713 A 103 VAL H A 103 VAL HA 1.0 . 3.7000 714 714 A 103 VAL H A 103 VAL HB 1.0 . 3.6000 715 715 A 104 ILE H A 103 VAL HA 1.0 . 3.8000 716 716 A 103 VAL HB A 104 ILE H 1.0 . 3.8000 717 717 A 104 ILE H A 104 ILE HA 1.0 . 3.7000 718 718 A 104 ILE H A 104 ILE HG1x 1.0 . 3.7000 719 719 A 104 ILE H A 104 ILE HG1y 1.0 . 3.7000 720 720 A 104 ILE H A 105 SER HA 1.0 . 4.6500 721 721 A 105 SER H A 105 SER HBx 1.0 . 3.2000 722 722 A 105 SER H A 109 ASP H 1.0 . 5.7200 723 723 A 105 SER H A 109 ASP HBx 1.0 . 5.3000 724 724 A 102 SER H A 106 LEU H 1.0 . 5.6000 725 725 A 106 LEU H A 106 LEU HA 1.0 . 4.9000 726 726 A 106 LEU H A 106 LEU HBy 1.0 . 4.2000 727 727 A 106 LEU H A 106 LEU HG 1.0 . 4.3000 728 728 A 106 LEU H A 107 SER HBy 1.0 . 6.0000 729 729 A 106 LEU H A 108 GLY H 1.0 . 4.6000 730 730 A 104 ILE HA A 107 SER H 1.0 . 5.5000 731 731 A 104 ILE HB A 107 SER H 1.0 . 5.8000 732 732 A 106 LEU H A 107 SER H 1.0 . 3.2000 733 733 A 106 LEU HA A 107 SER H 1.0 . 3.5000 734 734 A 106 LEU HBy A 107 SER H 1.0 . 3.7000 735 735 A 107 SER H A 107 SER HA 1.0 . 3.2000 736 736 A 107 SER H A 107 SER HBx 1.0 . 3.2000 737 737 A 107 SER HBy A 107 SER H 1.0 . 3.4250 738 738 A 108 GLY H A 107 SER H 1.0 . 3.6000 739 739 A 109 ASP H A 107 SER H 1.0 . 5.2000 740 740 A 109 ASP HBx A 107 SER H 1.0 . 5.8000 741 741 A 107 SER H A 110 HIS H 1.0 . 6.0000 742 742 A 107 SER H A 110 HIS HBy 1.0 . 6.0000 743 743 A 107 SER HBx A 111 CYS H 1.0 . 5.9500 744 744 A 108 GLY H A 107 SER HA 1.0 . 6.0000 745 745 A 107 SER HBy A 108 GLY H 1.0 . 5.6000 746 746 A 105 SER HA A 109 ASP H 1.0 . 5.8000 747 747 A 109 ASP H A 107 SER HA 1.0 . 5.8000 748 748 A 109 ASP H A 108 GLY H 1.0 . 4.6000 749 749 A 109 ASP H A 109 ASP HA 1.0 . 3.0000 750 750 A 109 ASP H A 109 ASP HBx 1.0 . 2.8000 751 751 A 109 ASP H A 109 ASP HBy 1.0 . 3.1000 752 752 A 109 ASP H A 110 HIS HA 1.0 . 4.2550 753 753 A 109 ASP H A 110 HIS HBx 1.0 . 5.2000 754 754 A 109 ASP H A 110 HIS HBy 1.0 . 4.3000 755 755 A 107 SER HA A 110 HIS H 1.0 . 6.0000 756 756 A 110 HIS H A 110 HIS HA 1.0 . 2.9000 757 757 A 110 HIS H A 110 HIS HBx 1.0 . 3.5000 758 758 A 110 HIS H A 110 HIS HBy 1.0 . 3.2000 759 759 A 110 HIS H A 112 ILE H 1.0 . 4.9000 760 760 A 110 HIS H A 112 ILE HA 1.0 . 5.9000 761 761 A 110 HIS H A 113 ILE H 1.0 . 5.4000 762 762 A 110 HIS H A 114 GLY H 1.0 . 6.0000 763 763 A 107 SER HA A 111 CYS H 1.0 . 6.0000 764 764 A 109 ASP H A 111 CYS H 1.0 . 5.4000 765 765 A 111 CYS H A 111 CYS HA 1.0 . 4.1000 766 766 A 111 CYS H A 111 CYS HBx 1.0 . 3.8000 767 767 A 111 CYS H A 113 ILE H 1.0 . 5.7000 768 768 A 111 CYS H A 113 ILE HA 1.0 . 5.9150 769 769 A 108 GLY H A 112 ILE H 1.0 . 5.8000 770 770 A 112 ILE H A 108 GLY HA3 1.0 . 6.0000 771 771 A 110 HIS HA A 112 ILE H 1.0 . 5.4000 772 772 A 112 ILE H A 111 CYS HA 1.0 . 5.2000 773 773 A 112 ILE H A 112 ILE HA 1.0 . 3.5000 774 774 A 112 ILE H A 112 ILE HB 1.0 . 4.7000 775 775 A 112 ILE H A 112 ILE HG1x 1.0 . 5.4000 776 776 A 112 ILE H A 113 ILE HA 1.0 . 6.0000 777 777 A 112 ILE H A 115 ARG HA 1.0 . 6.0000 778 778 A 109 ASP H A 113 ILE H 1.0 . 5.8000 779 779 A 110 HIS HA A 113 ILE H 1.0 . 5.9000 780 780 A 112 ILE H A 113 ILE H 1.0 . 4.1000 781 781 A 112 ILE HA A 113 ILE H 1.0 . 3.4000 782 782 A 113 ILE H A 113 ILE HA 1.0 . 4.3000 783 783 A 113 ILE H A 113 ILE HB 1.0 . 3.2000 784 784 A 113 ILE H A 113 ILE HG1y 1.0 . 4.2000 785 785 A 113 ILE H A 114 GLY H 1.0 . 4.1000 786 786 A 113 ILE H A 114 GLY HA2 1.0 . 5.8000 787 787 A 113 ILE H A 114 GLY HA3 1.0 . 5.0000 788 788 A 113 ILE H A 115 ARG H 1.0 . 5.2000 789 789 A 113 ILE H A 115 ARG HA 1.0 . 6.0000 790 790 A 113 ILE H A 117 LEU H 1.0 . 6.0000 791 791 A 113 ILE HB A 116 THR H 1.0 . 5.9500 792 792 A 114 GLY H A 113 ILE HA 1.0 . 4.9000 793 793 A 114 GLY H A 113 ILE HB 1.0 . 5.6000 794 794 A 114 GLY H A 114 GLY HA2 1.0 . 4.7000 795 795 A 114 GLY H A 114 GLY HA3 1.0 . 4.9000 796 796 A 114 GLY H A 115 ARG H 1.0 . 5.2000 797 797 A 112 ILE H A 115 ARG H 1.0 . 5.4000 798 798 A 113 ILE HA A 115 ARG H 1.0 . 5.8000 799 799 A 114 GLY H A 115 ARG H 1.0 . 3.4000 800 800 A 114 GLY HA2 A 115 ARG H 1.0 . 3.4000 801 801 A 114 GLY HA3 A 115 ARG H 1.0 . 3.2000 802 802 A 115 ARG HA A 115 ARG H 1.0 . 3.1000 803 803 A 115 ARG H A 115 ARG HBy 1.0 . 3.0000 804 804 A 115 ARG H A 115 ARG HDy 1.0 . 4.1000 805 805 A 115 ARG H A 115 ARG HGy 1.0 . 4.0650 806 806 A 115 ARG H A 116 THR H 1.0 . 4.1000 807 807 A 115 ARG H A 116 THR HA 1.0 . 6.0000 808 808 A 115 ARG H A 119 VAL H 1.0 . 5.6000 809 809 A 112 ILE H A 116 THR H 1.0 . 5.8000 810 810 A 113 ILE HA A 116 THR H 1.0 . 6.0000 811 811 A 114 GLY H A 116 THR H 1.0 . 4.8000 812 812 A 115 ARG HA A 116 THR H 1.0 . 3.4000 813 813 A 116 THR H A 116 THR HA 1.0 . 5.3000 814 814 A 116 THR H A 116 THR HG1 1.0 . 3.4000 815 815 A 117 LEU H A 116 THR H 1.0 . 3.0000 816 816 A 116 THR H A 118 VAL H 1.0 . 4.9000 817 817 A 113 ILE HA A 117 LEU H 1.0 . 5.6000 818 818 A 117 LEU H A 116 THR H 1.0 . 4.6000 819 819 A 117 LEU H A 116 THR HA 1.0 . 4.6000 820 820 A 117 LEU H A 116 THR HG1 1.0 . 5.3000 821 821 A 117 LEU H A 117 LEU HA 1.0 . 4.7000 822 822 A 117 LEU H A 117 LEU HBy 1.0 . 4.1000 823 823 A 117 LEU H A 117 LEU HG 1.0 . 4.6000 824 824 A 117 LEU H A 118 VAL H 1.0 . 4.8000 825 825 A 117 LEU H A 121 GLU HA 1.0 . 5.1100 826 826 A 117 LEU HA A 120 HIS H 1.0 . 5.9175 827 827 A 114 GLY H A 118 VAL H 1.0 . 5.8000 828 828 A 114 GLY HA2 A 118 VAL H 1.0 . 5.6000 829 829 A 115 ARG HA A 118 VAL H 1.0 . 5.8000 830 830 A 116 THR HA A 118 VAL H 1.0 . 5.2000 831 831 A 117 LEU H A 118 VAL H 1.0 . 3.5000 832 832 A 118 VAL H A 117 LEU HA 1.0 . 3.2000 833 833 A 118 VAL H A 117 LEU HBy 1.0 . 3.7000 834 834 A 118 VAL H A 117 LEU HG 1.0 . 3.8000 835 835 A 118 VAL H A 119 VAL HB 1.0 . 4.2000 836 836 A 118 VAL H A 121 GLU HBy 1.0 . 5.9000 837 837 A 117 LEU H A 119 VAL H 1.0 . 4.6000 838 838 A 119 VAL H A 119 VAL HA 1.0 . 3.2000 839 839 A 119 VAL H A 119 VAL HB 1.0 . 3.0000 840 840 A 119 VAL H A 121 GLU HBx 1.0 . 5.8500 841 841 A 120 HIS H A 119 VAL HA 1.0 . 3.1850 842 842 A 116 THR HA A 120 HIS H 1.0 . 5.7000 843 843 A 117 LEU HA A 120 HIS H 1.0 . 5.7000 844 844 A 120 HIS H A 118 VAL HA 1.0 . 5.2000 845 845 A 120 HIS H A 120 HIS HA 1.0 . 3.8000 846 846 A 120 HIS H A 120 HIS HBx 1.0 . 3.2000 847 847 A 120 HIS H A 120 HIS HBy 1.0 . 3.2000 848 848 A 120 HIS H A 120 HIS HD2 1.0 . 4.2000 849 849 A 119 VAL HB A 121 GLU H 1.0 . 5.9000 850 850 A 120 HIS HA A 121 GLU H 1.0 . 3.5000 851 851 A 121 GLU HA A 121 GLU H 1.0 . 4.9000 852 852 A 121 GLU HBx A 121 GLU H 1.0 . 3.0000 853 853 A 121 GLU HBy A 121 GLU H 1.0 . 3.6000 854 854 A 121 GLU H A 121 GLU HGy 1.0 . 3.5000 855 855 A 121 GLU H A 122 LYS HBy 1.0 . 4.6000 856 856 A 121 GLU H A 123 ALA H 1.0 . 4.5000 857 857 A 121 GLU H A 125 ASP HBy 1.0 . 5.9000 858 858 A 120 HIS HA A 122 LYS H 1.0 . 4.4000 859 859 A 122 LYS H A 122 LYS HA 1.0 . 4.7000 860 860 A 122 LYS H A 122 LYS HBx 1.0 . 4.7000 861 861 A 122 LYS HBy A 122 LYS H 1.0 . 3.1000 862 862 A 122 LYS H A 122 LYS HDx 1.0 . 4.8000 863 863 A 122 LYS H A 122 LYS HGy 1.0 . 4.3000 864 864 A 123 ALA H A 122 LYS HGy 1.0 . 5.6000 865 865 A 123 ALA H A 123 ALA HA 1.0 . 4.1000 866 866 A 123 ALA H A 123 ALA HB1 1.0 . 4.2000 867 867 A 123 ALA H A 124 ASP H 1.0 . 3.5000 868 868 A 123 ALA HA A 124 ASP H 1.0 . 3.1000 869 869 A 123 ALA HB1 A 124 ASP H 1.0 . 3.1000 870 870 A 124 ASP H A 124 ASP HA 1.0 . 3.4000 871 871 A 124 ASP H A 124 ASP HBx 1.0 . 3.4000 872 872 A 124 ASP H A 124 ASP HBy 1.0 . 3.7000 873 873 A 125 ASP H A 125 ASP HA 1.0 . 4.6000 874 874 A 125 ASP H A 125 ASP HBx 1.0 . 3.6000 875 875 A 125 ASP HBy A 125 ASP H 1.0 . 3.4000 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 3 LYS C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -87.200 -47.200 PHI 2 2 A 4 ALA N A 4 ALA CA A 4 ALA C A 5 VAL N 1.0 -56.200 -12.000 PSI 3 3 A 4 ALA C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -121.200 -53.400 PHI 4 4 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 CYS N 1.0 -46.600 18.600 PSI 5 5 A 5 VAL C A 6 CYS N A 6 CYS CA A 6 CYS C 1.0 -175.500 -62.900 PHI 6 6 A 6 CYS N A 6 CYS CA A 6 CYS C A 7 VAL N 1.0 80.275 228.725 PSI 7 7 A 7 VAL C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -86.200 -46.200 PHI 8 8 A 8 LEU N A 8 LEU CA A 8 LEU C A 9 LYS N 1.0 -60.400 -14.800 PSI 9 9 A 8 LEU C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -91.000 -43.200 PHI 10 10 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 GLY N 1.0 -57.900 -2.100 PSI 11 11 A 10 GLY C A 11 ASP N A 11 ASP CA A 11 ASP C 1.0 -136.100 -52.700 PHI 12 12 A 11 ASP N A 11 ASP CA A 11 ASP C A 12 GLY N 1.0 -17.900 22.100 PSI 13 13 A 11 ASP C A 12 GLY N A 12 GLY CA A 12 GLY C 1.0 61.800 116.800 PHI 14 14 A 12 GLY N A 12 GLY CA A 12 GLY C A 13 PRO N 1.0 -29.735 59.335 PSI 15 15 A 13 PRO C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -82.700 -42.700 PHI 16 16 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 GLN N 1.0 -58.300 -18.300 PSI 17 17 A 14 VAL C A 15 GLN N A 15 GLN CA A 15 GLN C 1.0 -96.530 -39.070 PHI 18 18 A 15 GLN N A 15 GLN CA A 15 GLN C A 16 GLY N 1.0 -58.700 -18.700 PSI 19 19 A 15 GLN C A 16 GLY N A 16 GLY CA A 16 GLY C 1.0 -87.300 -47.300 PHI 20 20 A 16 GLY N A 16 GLY CA A 16 GLY C A 17 ILE N 1.0 -62.400 -22.400 PSI 21 21 A 16 GLY C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -82.000 -42.000 PHI 22 22 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 ILE N 1.0 -62.400 -22.400 PSI 23 23 A 17 ILE C A 18 ILE N A 18 ILE CA A 18 ILE C 1.0 -83.600 -43.600 PHI 24 24 A 18 ILE N A 18 ILE CA A 18 ILE C A 19 ASN N 1.0 -63.900 -23.900 PSI 25 25 A 18 ILE C A 19 ASN N A 19 ASN CA A 19 ASN C 1.0 -90.600 -39.600 PHI 26 26 A 19 ASN N A 19 ASN CA A 19 ASN C A 20 PHE N 1.0 -59.900 -19.900 PSI 27 27 A 19 ASN C A 20 PHE N A 20 PHE CA A 20 PHE C 1.0 -86.600 -46.600 PHI 28 28 A 20 PHE N A 20 PHE CA A 20 PHE C A 21 GLU N 1.0 -62.400 -22.400 PSI 29 29 A 20 PHE C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -84.200 -44.200 PHI 30 30 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 GLN N 1.0 -68.300 -0.100 PSI 31 31 A 21 GLU C A 22 GLN N A 22 GLN CA A 22 GLN C 1.0 -96.700 -47.500 PHI 32 32 A 22 GLN N A 22 GLN CA A 22 GLN C A 23 LYS N 1.0 -63.500 -3.900 PSI 33 33 A 22 GLN C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -92.600 -47.600 PHI 34 34 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 GLU N 1.0 -54.200 -7.400 PSI 35 35 A 24 GLU C A 25 SER N A 25 SER CA A 25 SER C 1.0 -115.700 -39.500 PHI 36 36 A 25 SER N A 25 SER CA A 25 SER C A 26 ASN N 1.0 -72.700 20.100 PSI 37 37 A 30 LYS C A 31 VAL N A 31 VAL CA A 31 VAL C 1.0 -89.000 -49.000 PHI 38 38 A 31 VAL N A 31 VAL CA A 31 VAL C A 32 TRP N 1.0 -66.200 -14.000 PSI 39 39 A 31 VAL C A 32 TRP N A 32 TRP CA A 32 TRP C 1.0 -136.000 -55.200 PHI 40 40 A 32 TRP N A 32 TRP CA A 32 TRP C A 33 GLY N 1.0 -55.400 36.600 PSI 41 41 A 33 GLY C A 34 SER N A 34 SER CA A 34 SER C 1.0 -80.100 -40.100 PHI 42 42 A 34 SER N A 34 SER CA A 34 SER C A 35 ILE N 1.0 -57.800 -9.800 PSI 43 43 A 34 SER C A 35 ILE N A 35 ILE CA A 35 ILE C 1.0 -86.600 -46.600 PHI 44 44 A 35 ILE N A 35 ILE CA A 35 ILE C A 36 LYS N 1.0 -61.500 -17.300 PSI 45 45 A 35 ILE C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -115.800 -40.000 PHI 46 46 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 GLY N 1.0 -66.000 15.600 PSI 47 47 A 37 GLY C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -83.000 -43.000 PHI 48 48 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 THR N 1.0 -56.000 -15.000 PSI 49 49 A 38 LEU C A 39 THR N A 39 THR CA A 39 THR C 1.0 -88.700 -45.700 PHI 50 50 A 39 THR N A 39 THR CA A 39 THR C A 40 GLU N 1.0 -53.200 -7.400 PSI 51 51 A 39 THR C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -88.800 -48.800 PHI 52 52 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 GLY N 1.0 -58.000 -11.800 PSI 53 53 A 41 GLY C A 42 LEU N A 42 LEU CA A 42 LEU C 1.0 -88.300 -41.500 PHI 54 54 A 42 LEU N A 42 LEU CA A 42 LEU C A 43 HIS N 1.0 -58.600 -18.600 PSI 55 55 A 42 LEU C A 43 HIS N A 43 HIS CA A 43 HIS C 1.0 -117.700 -56.500 PHI 56 56 A 43 HIS N A 43 HIS CA A 43 HIS C A 44 GLY N 1.0 -40.400 26.000 PSI 57 57 A 64 PHE C A 65 ASN N A 65 ASN CA A 65 ASN C 1.0 -164.200 -101.800 PHI 58 58 A 65 ASN N A 65 ASN CA A 65 ASN C A 66 PRO N 1.0 82.200 167.800 PSI 59 59 A 77 GLU C A 78 GLU N A 78 GLU CA A 78 GLU C 1.0 -98.900 -42.900 PHI 60 60 A 78 GLU N A 78 GLU CA A 78 GLU C A 79 ARG N 1.0 -56.600 -3.000 PSI 61 61 A 78 GLU C A 79 ARG N A 79 ARG CA A 79 ARG C 1.0 -128.400 -41.000 PHI 62 62 A 79 ARG N A 79 ARG CA A 79 ARG C A 80 HIS N 1.0 -61.000 4.000 PSI 63 63 A 96 ASP C A 97 VAL N A 97 VAL CA A 97 VAL C 1.0 -132.600 -62.600 PHI 64 64 A 97 VAL N A 97 VAL CA A 97 VAL C A 98 SER N 1.0 -46.800 37.000 PSI 65 65 A 98 SER C A 99 ILE N A 99 ILE CA A 99 ILE C 1.0 -84.400 -38.000 PHI 66 66 A 99 ILE N A 99 ILE CA A 99 ILE C A 100 GLU N 1.0 -72.500 5.100 PSI 67 67 A 99 ILE C A 100 GLU N A 100 GLU CA A 100 GLU C 1.0 -83.100 -43.100 PHI 68 68 A 100 GLU N A 100 GLU CA A 100 GLU C A 101 ASP N 1.0 -61.200 -17.000 PSI 69 69 A 100 GLU C A 101 ASP N A 101 ASP CA A 101 ASP C 1.0 -96.370 -38.630 PHI 70 70 A 101 ASP N A 101 ASP CA A 101 ASP C A 102 SER N 1.0 -56.100 -16.100 PSI 71 71 A 101 ASP C A 102 SER N A 102 SER CA A 102 SER C 1.0 -97.375 -35.825 PHI 72 72 A 102 SER N A 102 SER CA A 102 SER C A 103 VAL N 1.0 -61.300 -21.300 PSI 73 73 A 102 SER C A 103 VAL N A 103 VAL CA A 103 VAL C 1.0 -85.500 -45.500 PHI 74 74 A 103 VAL N A 103 VAL CA A 103 VAL C A 104 ILE N 1.0 -63.900 -23.900 PSI 75 75 A 103 VAL C A 104 ILE N A 104 ILE CA A 104 ILE C 1.0 -93.700 -36.500 PHI 76 76 A 104 ILE N A 104 ILE CA A 104 ILE C A 105 SER N 1.0 -57.500 -17.500 PSI 77 77 A 104 ILE C A 105 SER N A 105 SER CA A 105 SER C 1.0 -86.700 -46.700 PHI 78 78 A 105 SER N A 105 SER CA A 105 SER C A 106 LEU N 1.0 -57.900 -17.900 PSI 79 79 A 105 SER C A 106 LEU N A 106 LEU CA A 106 LEU C 1.0 -85.000 -45.000 PHI 80 80 A 106 LEU N A 106 LEU CA A 106 LEU C A 107 SER N 1.0 -67.700 -11.700 PSI 81 81 A 106 LEU C A 107 SER N A 107 SER CA A 107 SER C 1.0 -97.400 -38.200 PHI 82 82 A 107 SER N A 107 SER CA A 107 SER C A 108 GLY N 1.0 -66.300 -10.100 PSI 83 83 A 108 GLY C A 109 ASP N A 109 ASP CA A 109 ASP C 1.0 -132.400 -40.400 PHI 84 84 A 109 ASP N A 109 ASP CA A 109 ASP C A 110 HIS N 1.0 -50.900 26.500 PSI 85 85 A 109 ASP C A 110 HIS N A 110 HIS CA A 110 HIS C 1.0 -136.300 -35.700 PHI 86 86 A 110 HIS N A 110 HIS CA A 110 HIS C A 111 CYS N 1.0 -58.800 26.200 PSI 87 87 A 110 HIS C A 111 CYS N A 111 CYS CA A 111 CYS C 1.0 -113.900 -40.100 PHI 88 88 A 111 CYS N A 111 CYS CA A 111 CYS C A 112 ILE N 1.0 -71.300 23.500 PSI 89 89 A 111 CYS C A 112 ILE N A 112 ILE CA A 112 ILE C 1.0 -97.620 -31.980 PHI 90 90 A 112 ILE N A 112 ILE CA A 112 ILE C A 113 ILE N 1.0 -58.400 -18.400 PSI 91 91 A 112 ILE C A 113 ILE N A 113 ILE CA A 113 ILE C 1.0 -94.950 -34.650 PHI 92 92 A 113 ILE N A 113 ILE CA A 113 ILE C A 114 GLY N 1.0 -57.400 -17.400 PSI 93 93 A 113 ILE C A 114 GLY N A 114 GLY CA A 114 GLY C 1.0 -82.300 -42.300 PHI 94 94 A 114 GLY N A 114 GLY CA A 114 GLY C A 115 ARG N 1.0 -63.000 -14.400 PSI 95 95 A 114 GLY C A 115 ARG N A 115 ARG CA A 115 ARG C 1.0 -83.900 -43.900 PHI 96 96 A 115 ARG N A 115 ARG CA A 115 ARG C A 116 THR N 1.0 -67.700 -13.300 PSI 97 97 A 115 ARG C A 116 THR N A 116 THR CA A 116 THR C 1.0 -98.435 -30.765 PHI 98 98 A 116 THR N A 116 THR CA A 116 THR C A 117 LEU N 1.0 -69.100 -14.700 PSI 99 99 A 116 THR C A 117 LEU N A 117 LEU CA A 117 LEU C 1.0 -84.400 -44.400 PHI 100 100 A 117 LEU N A 117 LEU CA A 117 LEU C A 118 VAL N 1.0 -61.000 -21.000 PSI 101 101 A 117 LEU C A 118 VAL N A 118 VAL CA A 118 VAL C 1.0 -97.455 -42.145 PHI 102 102 A 118 VAL N A 118 VAL CA A 118 VAL C A 119 VAL N 1.0 -60.900 -10.500 PSI 103 103 A 118 VAL C A 119 VAL N A 119 VAL CA A 119 VAL C 1.0 -92.500 -46.700 PHI 104 104 A 119 VAL N A 119 VAL CA A 119 VAL C A 120 HIS N 1.0 -68.900 -3.500 PSI 105 105 A 119 VAL C A 120 HIS N A 120 HIS CA A 120 HIS C 1.0 -131.000 -80.600 PHI 106 106 A 120 HIS N A 120 HIS CA A 120 HIS C A 121 GLU N 1.0 -30.700 38.700 PSI stop_ save_