data_nef_c34514_6ytc 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6YTC 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 -2 MET start . . 2 A -1 GLY middle . false 3 A 0 HIS middle . . 4 A 1 HIS middle . . 5 A 2 HIS middle . . 6 A 3 HIS middle . . 7 A 4 HIS middle . . 8 A 5 HIS middle . . 9 A 6 THR middle . . 10 A 7 LYS middle . . 11 A 8 GLY middle . false 12 A 9 ASN middle . . 13 A 10 VAL middle . . 14 A 11 THR middle . . 15 A 12 SER middle . . 16 A 13 LYS middle . . 17 A 14 THR middle . . 18 A 15 ASP middle . . 19 A 16 GLY middle . false 20 A 17 GLN middle . . 21 A 18 PRO middle . false 22 A 19 ILE middle . . 23 A 20 ILE middle . . 24 A 21 GLY middle . false 25 A 22 ALA middle . . 26 A 23 SER middle . . 27 A 24 VAL middle . . 28 A 25 VAL middle . . 29 A 26 GLU middle . . 30 A 27 THR middle . . 31 A 28 THR middle . . 32 A 29 ALA middle . . 33 A 30 THR middle . . 34 A 31 THR middle . . 35 A 32 ASN middle . . 36 A 33 GLY middle . false 37 A 34 THR middle . . 38 A 35 ILE middle . . 39 A 36 THR middle . . 40 A 37 ASP middle . . 41 A 38 PHE middle . . 42 A 39 ASP middle . . 43 A 40 GLY middle . false 44 A 41 ASN middle . . 45 A 42 PHE middle . . 46 A 43 THR middle . . 47 A 44 LEU middle . . 48 A 45 SER middle . . 49 A 46 VAL middle . . 50 A 47 PRO middle . false 51 A 48 VAL middle . . 52 A 49 ASN middle . . 53 A 50 SER middle . . 54 A 51 THR middle . . 55 A 52 LEU middle . . 56 A 53 LYS middle . . 57 A 54 ILE middle . . 58 A 55 THR middle . . 59 A 56 TYR middle . . 60 A 57 ILE middle . . 61 A 58 GLY middle . false 62 A 59 TYR middle . . 63 A 60 LYS middle . . 64 A 61 PRO middle . false 65 A 62 VAL middle . . 66 A 63 THR middle . . 67 A 64 VAL middle . . 68 A 65 LYS middle . . 69 A 66 ALA middle . . 70 A 67 ALA middle . . 71 A 68 ALA middle . . 72 A 69 ILE middle . . 73 A 70 VAL middle . . 74 A 71 ASN middle . . 75 A 72 VAL middle . . 76 A 73 LEU middle . . 77 A 74 LEU middle . . 78 A 75 GLU middle . . 79 A 76 GLU middle . . 80 A 77 ASP middle . . 81 A 78 THR middle . . 82 A 79 GLN middle . . 83 A 80 MET middle . . 84 A 81 VAL middle . . 85 A 82 ASP middle . . 86 A 83 GLU middle . . 87 A 84 VAL middle . . 88 A 85 VAL middle . . 89 A 86 VAL middle . . 90 A 87 THR middle . . 91 A 88 GLY middle . false 92 A 89 TYR middle . . 93 A 90 THR end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 6 THR H H 1 8.575 0.000 A 6 THR HA H 1 4.361 0.000 A 6 THR HB H 1 3.876 0.000 A 6 THR HG1 H 1 4.052 0.010 A 6 THR HG2% H 1 1.059 0.000 A 6 THR CA C 13 63.600 0.000 A 6 THR CB C 13 70.773 0.000 A 6 THR CG2 C 13 22.696 0.000 A 6 THR N N 15 122.176 0.000 A 7 LYS H H 1 8.017 0.000 A 7 LYS HA H 1 4.685 0.000 A 7 LYS HBx H 1 1.719 0.010 A 7 LYS HBy H 1 1.720 0.010 A 7 LYS HDy H 1 1.583 0.010 A 7 LYS HDx H 1 1.582 0.010 A 7 LYS HEx H 1 2.859 0.000 A 7 LYS HEy H 1 2.859 0.000 A 7 LYS HGx H 1 1.381 0.000 A 7 LYS HGy H 1 1.382 0.000 A 7 LYS CB C 13 34.103 0.000 A 7 LYS CD C 13 29.255 0.000 A 7 LYS CE C 13 41.986 0.000 A 7 LYS CG C 13 24.454 0.000 A 7 LYS N N 15 126.935 0.000 A 8 GLY H H 1 7.581 0.000 A 8 GLY HAx H 1 2.908 0.000 A 8 GLY HAy H 1 4.502 0.000 A 8 GLY CA C 13 45.030 0.000 A 8 GLY N N 15 109.293 0.000 A 9 ASN H H 1 8.002 0.000 A 9 ASN HA H 1 5.514 0.000 A 9 ASN HBx H 1 2.527 0.000 A 9 ASN HBy H 1 2.791 0.000 A 9 ASN HD2y H 1 7.660 0.000 A 9 ASN HD2x H 1 6.171 0.000 A 9 ASN CA C 13 53.066 0.000 A 9 ASN CB C 13 43.796 0.000 A 9 ASN N N 15 117.738 0.000 A 9 ASN ND2 N 15 111.586 0.000 A 10 VAL H H 1 9.394 0.000 A 10 VAL HA H 1 4.837 0.000 A 10 VAL HB H 1 2.026 0.000 A 10 VAL HGx% H 1 0.561 0.010 A 10 VAL HGy% H 1 1.075 0.010 A 10 VAL CB C 13 33.023 0.000 A 10 VAL CGx C 13 21.609 0.010 A 10 VAL CGy C 13 24.700 0.010 A 10 VAL N N 15 127.035 0.000 A 11 THR H H 1 8.305 0.000 A 11 THR HA H 1 4.801 0.010 A 11 THR HB H 1 3.646 0.000 A 11 THR HG1 H 1 1.493 0.010 A 11 THR HG2% H 1 0.960 0.000 A 11 THR CB C 13 73.840 0.000 A 11 THR CG2 C 13 21.825 0.000 A 11 THR N N 15 118.394 0.000 A 12 SER H H 1 8.531 0.000 A 12 SER HA H 1 4.231 0.000 A 12 SER HBx H 1 4.060 0.000 A 12 SER HBy H 1 4.229 0.000 A 12 SER HG H 1 8.523 0.010 A 12 SER CA C 13 56.531 0.000 A 12 SER CB C 13 64.063 0.000 A 12 SER N N 15 114.952 0.000 A 13 LYS H H 1 9.533 0.000 A 13 LYS HA H 1 3.974 0.000 A 13 LYS HBx H 1 1.541 0.000 A 13 LYS HBy H 1 2.014 0.000 A 13 LYS HDx H 1 1.668 0.010 A 13 LYS HDy H 1 1.668 0.000 A 13 LYS HEx H 1 2.979 0.010 A 13 LYS HEy H 1 2.979 0.000 A 13 LYS HGx H 1 0.832 0.000 A 13 LYS HGy H 1 1.568 0.010 A 13 LYS CA C 13 58.883 0.000 A 13 LYS CB C 13 33.574 0.000 A 13 LYS CD C 13 29.703 0.000 A 13 LYS CE C 13 42.148 0.000 A 13 LYS CG C 13 25.364 0.000 A 13 LYS N N 15 129.770 0.000 A 14 THR H H 1 8.514 0.000 A 14 THR HA H 1 3.619 0.010 A 14 THR HB H 1 4.065 0.000 A 14 THR HG1 H 1 4.779 0.010 A 14 THR HG2% H 1 1.244 0.000 A 14 THR CA C 13 65.399 0.000 A 14 THR CB C 13 68.626 0.000 A 14 THR CG2 C 13 22.124 0.010 A 14 THR N N 15 113.151 0.000 A 15 ASP H H 1 7.355 0.000 A 15 ASP HA H 1 3.893 0.010 A 15 ASP HBx H 1 2.475 0.000 A 15 ASP HBy H 1 3.078 0.000 A 15 ASP CA C 13 52.970 0.010 A 15 ASP CB C 13 42.063 0.000 A 15 ASP N N 15 115.633 0.000 A 16 GLY H H 1 8.212 0.000 A 16 GLY HAx H 1 3.901 0.000 A 16 GLY HAy H 1 4.048 0.000 A 16 GLY CA C 13 46.236 0.000 A 16 GLY N N 15 109.687 0.000 A 17 GLN H H 1 8.123 0.000 A 17 GLN HA H 1 4.559 0.000 A 17 GLN HBx H 1 2.058 0.010 A 17 GLN HBy H 1 2.329 0.010 A 17 GLN HE2x H 1 6.878 0.000 A 17 GLN HE2y H 1 7.649 0.000 A 17 GLN HGx H 1 2.183 0.000 A 17 GLN HGy H 1 2.185 0.010 A 17 GLN CA C 13 53.863 0.000 A 17 GLN CB C 13 27.877 0.000 A 17 GLN CG C 13 33.880 0.000 A 17 GLN N N 15 119.723 0.000 A 17 GLN NE2 N 15 113.670 0.000 A 18 PRO HA H 1 4.460 0.000 A 18 PRO HBy H 1 1.870 0.000 A 18 PRO HBx H 1 1.466 0.000 A 18 PRO HDx H 1 3.678 0.000 A 18 PRO HDy H 1 3.842 0.000 A 18 PRO HGx H 1 1.946 0.000 A 18 PRO HGy H 1 2.090 0.000 A 18 PRO CA C 13 62.970 0.000 A 18 PRO CB C 13 31.776 0.000 A 18 PRO CD C 13 50.482 0.000 A 18 PRO CG C 13 27.677 0.000 A 19 ILE H H 1 7.902 0.000 A 19 ILE HA H 1 3.870 0.000 A 19 ILE HB H 1 1.161 0.000 A 19 ILE HD1% H 1 -0.020 0.010 A 19 ILE HG1x H 1 0.789 0.000 A 19 ILE HG1y H 1 0.792 0.000 A 19 ILE CA C 13 58.952 0.000 A 19 ILE CB C 13 35.638 0.000 A 19 ILE CD1 C 13 10.897 0.010 A 19 ILE CG1 C 13 26.141 0.000 A 19 ILE N N 15 122.719 0.000 A 20 ILE H H 1 8.305 0.000 A 20 ILE HA H 1 3.751 0.000 A 20 ILE HB H 1 1.581 0.000 A 20 ILE HD1% H 1 0.642 0.010 A 20 ILE HG1x H 1 1.087 0.000 A 20 ILE HG1y H 1 1.349 0.000 A 20 ILE HG2% H 1 0.638 0.000 A 20 ILE CA C 13 61.167 0.000 A 20 ILE CB C 13 38.937 0.000 A 20 ILE CD1 C 13 16.495 0.010 A 20 ILE CG1 C 13 25.913 0.000 A 20 ILE CG2 C 13 16.535 0.000 A 20 ILE N N 15 132.291 0.000 A 21 GLY H H 1 7.853 0.000 A 21 GLY HAy H 1 4.287 0.000 A 21 GLY HAx H 1 3.560 0.000 A 21 GLY CA C 13 45.176 0.000 A 21 GLY N N 15 115.114 0.000 A 22 ALA H H 1 8.047 0.000 A 22 ALA HA H 1 4.468 0.000 A 22 ALA HB% H 1 0.915 0.000 A 22 ALA CA C 13 52.279 0.000 A 22 ALA CB C 13 17.153 0.000 A 22 ALA N N 15 122.976 0.000 A 23 SER H H 1 8.759 0.000 A 23 SER HA H 1 5.795 0.010 A 23 SER HBx H 1 3.834 0.000 A 23 SER HG H 1 4.768 0.000 A 23 SER CA C 13 57.881 0.010 A 23 SER CB C 13 63.748 0.000 A 23 SER N N 15 116.916 0.000 A 24 VAL H H 1 8.108 0.000 A 24 VAL HA H 1 4.450 0.000 A 24 VAL HB H 1 1.210 0.000 A 24 VAL HGy% H 1 -0.114 0.000 A 24 VAL CA C 13 61.185 0.000 A 24 VAL CB C 13 33.015 0.000 A 24 VAL CGx C 13 18.087 0.000 A 24 VAL CGy C 13 20.513 0.000 A 24 VAL N N 15 126.592 0.000 A 25 VAL H H 1 8.364 0.000 A 25 VAL HA H 1 5.013 0.000 A 25 VAL HB H 1 1.961 0.000 A 25 VAL HGx% H 1 0.622 0.010 A 25 VAL HGy% H 1 0.805 0.000 A 25 VAL CA C 13 58.574 0.000 A 25 VAL CB C 13 36.047 0.000 A 25 VAL CGy C 13 25.508 0.010 A 25 VAL CGx C 13 20.328 0.000 A 25 VAL N N 15 119.624 0.000 A 26 GLU H H 1 8.108 0.000 A 26 GLU HA H 1 4.512 0.000 A 26 GLU HBx H 1 1.958 0.000 A 26 GLU HBy H 1 2.547 0.000 A 26 GLU HGx H 1 2.340 0.010 A 26 GLU HGy H 1 2.354 0.010 A 26 GLU CA C 13 56.173 0.000 A 26 GLU CB C 13 30.167 0.000 A 26 GLU CG C 13 33.868 0.010 A 26 GLU N N 15 125.645 0.000 A 27 THR H H 1 8.821 0.000 A 27 THR HA H 1 3.789 0.000 A 27 THR HB H 1 4.186 0.000 A 27 THR HG1 H 1 4.783 0.000 A 27 THR HG2% H 1 1.151 0.000 A 27 THR CA C 13 65.974 0.000 A 27 THR CB C 13 68.354 0.000 A 27 THR CG2 C 13 23.009 0.000 A 27 THR N N 15 121.638 0.000 A 28 THR H H 1 7.493 0.000 A 28 THR HA H 1 4.237 0.000 A 28 THR HB H 1 4.540 0.000 A 28 THR HG1 H 1 4.780 0.010 A 28 THR HG2% H 1 1.241 0.000 A 28 THR CA C 13 61.085 0.000 A 28 THR CB C 13 68.620 0.000 A 28 THR CG2 C 13 23.054 0.000 A 28 THR N N 15 107.756 0.000 A 29 ALA H H 1 7.494 0.000 A 29 ALA HA H 1 4.599 0.000 A 29 ALA HB% H 1 1.307 0.000 A 29 ALA CA C 13 52.160 0.000 A 29 ALA CB C 13 18.460 0.000 A 29 ALA N N 15 125.236 0.000 A 30 THR H H 1 8.485 0.000 A 30 THR HA H 1 4.125 0.000 A 30 THR HB H 1 4.338 0.000 A 30 THR HG1 H 1 4.124 0.010 A 30 THR HG2% H 1 1.255 0.000 A 30 THR CA C 13 64.675 0.000 A 30 THR CB C 13 68.539 0.000 A 30 THR CG2 C 13 22.058 0.000 A 30 THR N N 15 113.842 0.000 A 31 THR H H 1 7.508 0.000 A 31 THR HA H 1 4.252 0.000 A 31 THR HB H 1 4.397 0.000 A 31 THR HG1 H 1 4.777 0.000 A 31 THR HG2% H 1 1.241 0.000 A 31 THR CA C 13 62.224 0.000 A 31 THR CB C 13 68.835 0.000 A 31 THR CG2 C 13 21.992 0.000 A 31 THR N N 15 109.606 0.000 A 32 ASN H H 1 8.629 0.000 A 32 ASN HA H 1 5.031 0.010 A 32 ASN HBx H 1 2.618 0.000 A 32 ASN HBy H 1 3.546 0.000 A 32 ASN HD2x H 1 7.328 0.000 A 32 ASN CA C 13 51.996 0.010 A 32 ASN CB C 13 37.470 0.000 A 32 ASN N N 15 124.028 0.000 A 32 ASN ND2 N 15 112.975 0.000 A 33 GLY H H 1 7.505 0.000 A 33 GLY HAy H 1 5.024 0.000 A 33 GLY HAx H 1 3.927 0.000 A 33 GLY CA C 13 45.341 0.000 A 33 GLY N N 15 108.383 0.000 A 34 THR H H 1 9.043 0.000 A 34 THR HA H 1 4.791 0.010 A 34 THR HB H 1 4.287 0.000 A 34 THR HG1 H 1 8.115 0.010 A 34 THR HG2% H 1 1.135 0.000 A 34 THR CA C 13 59.268 0.010 A 34 THR CB C 13 69.134 0.000 A 34 THR CG2 C 13 18.983 0.000 A 34 THR N N 15 114.198 0.000 A 35 ILE H H 1 8.312 0.000 A 35 ILE HA H 1 5.797 0.000 A 35 ILE HB H 1 1.619 0.000 A 35 ILE HD1% H 1 0.866 0.000 A 35 ILE HG1x H 1 0.873 0.010 A 35 ILE HG1y H 1 1.348 0.010 A 35 ILE HG2% H 1 0.873 0.000 A 35 ILE CA C 13 57.900 0.000 A 35 ILE CB C 13 42.585 0.000 A 35 ILE CD1 C 13 14.187 0.010 A 35 ILE CG2 C 13 17.483 0.010 A 35 ILE N N 15 119.348 0.000 A 36 THR H H 1 8.666 0.000 A 36 THR HA H 1 4.657 0.000 A 36 THR HB H 1 4.217 0.000 A 36 THR HG1 H 1 6.876 0.000 A 36 THR HG2% H 1 1.072 0.000 A 36 THR CB C 13 70.199 0.000 A 36 THR CG2 C 13 24.716 0.000 A 36 THR N N 15 113.246 0.000 A 37 ASP H H 1 8.707 0.000 A 37 ASP HA H 1 4.550 0.010 A 37 ASP HBx H 1 2.862 0.000 A 37 ASP HBy H 1 3.254 0.010 A 37 ASP CA C 13 52.436 0.010 A 37 ASP CB C 13 41.491 0.000 A 37 ASP N N 15 122.821 0.000 A 38 PHE H H 1 7.311 0.000 A 38 PHE HA H 1 4.276 0.000 A 38 PHE HBx H 1 3.118 0.000 A 38 PHE HBy H 1 3.181 0.000 A 38 PHE HDx H 1 7.307 0.000 A 38 PHE HDy H 1 8.077 0.010 A 38 PHE HEx H 1 7.304 0.000 A 38 PHE HEy H 1 7.304 0.000 A 38 PHE HZ H 1 7.304 0.010 A 38 PHE CA C 13 59.353 0.000 A 38 PHE CB C 13 38.615 0.000 A 38 PHE N N 15 113.782 0.000 A 39 ASP H H 1 8.081 0.000 A 39 ASP HA H 1 4.534 0.000 A 39 ASP HBx H 1 2.451 0.000 A 39 ASP HBy H 1 2.737 0.000 A 39 ASP CB C 13 42.768 0.000 A 39 ASP N N 15 117.742 0.000 A 40 GLY H H 1 8.507 0.000 A 40 GLY HAx H 1 3.939 0.000 A 40 GLY HAy H 1 4.149 0.000 A 40 GLY CA C 13 45.257 0.000 A 40 GLY N N 15 109.450 0.000 A 41 ASN H H 1 8.313 0.000 A 41 ASN HBx H 1 2.758 0.000 A 41 ASN HBy H 1 3.255 0.000 A 41 ASN HD2x H 1 6.905 0.000 A 41 ASN HD2y H 1 8.217 0.000 A 41 ASN CA C 13 52.450 0.000 A 41 ASN CB C 13 39.894 0.000 A 41 ASN N N 15 118.831 0.000 A 41 ASN ND2 N 15 115.392 0.000 A 42 PHE H H 1 8.306 0.000 A 42 PHE HA H 1 5.125 0.000 A 42 PHE HBx H 1 2.598 0.000 A 42 PHE HBy H 1 2.913 0.000 A 42 PHE HDx H 1 6.665 0.000 A 42 PHE HEx H 1 6.617 0.010 A 42 PHE HEy H 1 6.659 0.010 A 42 PHE HZ H 1 6.615 0.010 A 42 PHE CA C 13 56.322 0.000 A 42 PHE CB C 13 42.246 0.000 A 42 PHE N N 15 114.608 0.000 A 43 THR H H 1 8.743 0.000 A 43 THR HA H 1 5.236 0.000 A 43 THR HB H 1 3.990 0.000 A 43 THR HG1 H 1 2.909 0.010 A 43 THR HG2% H 1 1.094 0.000 A 43 THR CA C 13 60.642 0.000 A 43 THR CB C 13 71.517 0.000 A 43 THR CG2 C 13 21.071 0.000 A 43 THR N N 15 115.520 0.000 A 44 LEU H H 1 8.692 0.000 A 44 LEU HA H 1 4.581 0.000 A 44 LEU HBx H 1 1.360 0.000 A 44 LEU HBy H 1 1.556 0.000 A 44 LEU HDx% H 1 1.139 0.000 A 44 LEU HDy% H 1 1.134 0.010 A 44 LEU HG H 1 0.716 0.010 A 44 LEU CA C 13 54.958 0.000 A 44 LEU CB C 13 47.452 0.000 A 44 LEU CDy C 13 21.808 0.010 A 44 LEU CG C 13 23.984 0.010 A 44 LEU N N 15 125.826 0.000 A 45 SER H H 1 8.828 0.000 A 45 SER HA H 1 5.334 0.000 A 45 SER HBx H 1 3.625 0.000 A 45 SER HBy H 1 3.764 0.010 A 45 SER HG H 1 3.626 0.010 A 45 SER CA C 13 57.533 0.000 A 45 SER CB C 13 62.867 0.000 A 45 SER N N 15 121.164 0.000 A 46 VAL H H 1 8.637 0.000 A 46 VAL HA H 1 4.730 0.000 A 46 VAL HB H 1 2.121 0.000 A 46 VAL HGx% H 1 0.713 0.000 A 46 VAL HGy% H 1 0.783 0.000 A 46 VAL CA C 13 57.468 0.010 A 46 VAL CB C 13 34.115 0.000 A 46 VAL CGx C 13 18.975 0.000 A 46 VAL CGy C 13 23.244 0.000 A 46 VAL N N 15 120.895 0.000 A 47 PRO HDx H 1 3.374 0.000 A 47 PRO HDy H 1 3.525 0.000 A 47 PRO HGx H 1 1.694 0.000 A 47 PRO HGy H 1 2.043 0.010 A 47 PRO CD C 13 51.021 0.000 A 47 PRO CG C 13 27.913 0.010 A 48 VAL H H 1 8.070 0.000 A 48 VAL HA H 1 3.468 0.000 A 48 VAL HB H 1 1.695 0.000 A 48 VAL HGx% H 1 0.595 0.000 A 48 VAL HGy% H 1 0.622 0.000 A 48 VAL CA C 13 63.971 0.000 A 48 VAL CB C 13 31.547 0.000 A 48 VAL CGx C 13 20.344 0.000 A 48 VAL CGy C 13 20.435 0.000 A 48 VAL N N 15 120.943 0.000 A 49 ASN H H 1 8.624 0.000 A 49 ASN HA H 1 4.552 0.000 A 49 ASN HBx H 1 2.863 0.000 A 49 ASN HBy H 1 3.255 0.000 A 49 ASN HD2y H 1 7.314 0.010 A 49 ASN HD2x H 1 7.312 0.010 A 49 ASN CA C 13 52.470 0.000 A 49 ASN CB C 13 41.510 0.000 A 49 ASN N N 15 117.483 0.000 A 49 ASN ND2 N 15 113.689 0.000 A 50 SER H H 1 7.664 0.000 A 50 SER HA H 1 4.596 0.000 A 50 SER HBx H 1 3.834 0.010 A 50 SER HBy H 1 3.876 0.000 A 50 SER HG H 1 4.776 0.010 A 50 SER CA C 13 58.903 0.000 A 50 SER CB C 13 65.172 0.000 A 50 SER N N 15 114.108 0.000 A 51 THR H H 1 8.810 0.000 A 51 THR HA H 1 4.827 0.010 A 51 THR HB H 1 3.993 0.000 A 51 THR HG2% H 1 1.084 0.000 A 51 THR CA C 13 60.609 0.010 A 51 THR CB C 13 71.497 0.000 A 51 THR CG2 C 13 21.731 0.000 A 51 THR N N 15 113.370 0.000 A 52 LEU H H 1 9.311 0.000 A 52 LEU HA H 1 5.243 0.000 A 52 LEU HBy H 1 1.572 0.000 A 52 LEU HBx H 1 0.965 0.000 A 52 LEU HDx% H 1 -0.106 0.000 A 52 LEU HDy% H 1 0.656 0.000 A 52 LEU HG H 1 0.709 0.010 A 52 LEU CA C 13 52.617 0.000 A 52 LEU CB C 13 44.259 0.000 A 52 LEU CDx C 13 20.523 0.000 A 52 LEU CDy C 13 24.004 0.000 A 52 LEU CG C 13 23.920 0.010 A 52 LEU N N 15 122.170 0.000 A 53 LYS H H 1 9.148 0.000 A 53 LYS HA H 1 5.244 0.000 A 53 LYS HBx H 1 1.432 0.000 A 53 LYS HBy H 1 1.617 0.000 A 53 LYS HDy H 1 1.413 0.010 A 53 LYS HEx H 1 2.727 0.000 A 53 LYS HEy H 1 2.975 0.010 A 53 LYS HGx H 1 1.142 0.000 A 53 LYS HGy H 1 1.212 0.000 A 53 LYS CA C 13 54.637 0.000 A 53 LYS CB C 13 34.835 0.000 A 53 LYS CD C 13 25.488 0.010 A 53 LYS CE C 13 42.030 0.000 A 53 LYS CG C 13 24.915 0.000 A 53 LYS N N 15 122.214 0.000 A 54 ILE H H 1 9.246 0.000 A 54 ILE HA H 1 5.338 0.000 A 54 ILE HB H 1 1.678 0.000 A 54 ILE HD1% H 1 -0.126 0.010 A 54 ILE HG1x H 1 0.887 0.000 A 54 ILE HG1y H 1 1.287 0.000 A 54 ILE HG2% H 1 0.640 0.000 A 54 ILE CA C 13 60.404 0.000 A 54 ILE CB C 13 39.427 0.000 A 54 ILE CD1 C 13 18.081 0.010 A 54 ILE CG1 C 13 29.527 0.000 A 54 ILE CG2 C 13 19.124 0.000 A 54 ILE N N 15 131.087 0.000 A 55 THR H H 1 8.595 0.000 A 55 THR HA H 1 4.936 0.000 A 55 THR HB H 1 4.031 0.000 A 55 THR HG1 H 1 4.782 0.000 A 55 THR HG2% H 1 1.118 0.000 A 55 THR CA C 13 59.153 0.000 A 55 THR CB C 13 72.625 0.000 A 55 THR CG2 C 13 22.111 0.000 A 55 THR N N 15 115.234 0.000 A 56 TYR H H 1 8.834 0.000 A 56 TYR HA H 1 4.525 0.000 A 56 TYR HBx H 1 2.218 0.000 A 56 TYR HBy H 1 2.844 0.000 A 56 TYR HDx H 1 6.944 0.000 A 56 TYR HDy H 1 6.945 0.010 A 56 TYR HEx H 1 6.945 0.000 A 56 TYR HEy H 1 6.948 0.000 A 56 TYR CB C 13 41.196 0.000 A 56 TYR N N 15 121.964 0.000 A 57 ILE H H 1 7.138 0.000 A 57 ILE HA H 1 3.850 0.000 A 57 ILE HB H 1 1.493 0.000 A 57 ILE HD1% H 1 0.818 0.000 A 57 ILE HG1x H 1 1.025 0.000 A 57 ILE HG1y H 1 1.356 0.000 A 57 ILE HG2% H 1 0.541 0.000 A 57 ILE CA C 13 62.263 0.000 A 57 ILE CB C 13 37.891 0.000 A 57 ILE CD1 C 13 13.334 0.000 A 57 ILE CG1 C 13 28.322 0.000 A 57 ILE CG2 C 13 16.102 0.000 A 57 ILE N N 15 127.853 0.000 A 58 GLY H H 1 8.627 0.000 A 58 GLY HAx H 1 3.628 0.000 A 58 GLY HAy H 1 4.169 0.000 A 58 GLY CA C 13 44.772 0.000 A 58 GLY N N 15 113.106 0.000 A 59 TYR H H 1 8.571 0.000 A 59 TYR HA H 1 4.995 0.010 A 59 TYR HBy H 1 3.024 0.000 A 59 TYR HBx H 1 2.803 0.000 A 59 TYR HDx H 1 6.957 0.000 A 59 TYR HDy H 1 6.958 0.010 A 59 TYR HEx H 1 6.964 0.000 A 59 TYR HEy H 1 6.964 0.010 A 59 TYR CB C 13 41.204 0.000 A 59 TYR N N 15 120.354 0.000 A 60 LYS H H 1 9.233 0.000 A 60 LYS HA H 1 4.580 0.000 A 60 LYS HBx H 1 1.919 0.000 A 60 LYS HBy H 1 1.972 0.000 A 60 LYS HDx H 1 1.405 0.010 A 60 LYS HDy H 1 1.668 0.010 A 60 LYS HEx H 1 3.040 0.000 A 60 LYS HEy H 1 3.040 0.000 A 60 LYS HGx H 1 1.404 0.000 A 60 LYS HGy H 1 1.405 0.000 A 60 LYS CA C 13 54.999 0.000 A 60 LYS CB C 13 31.819 0.000 A 60 LYS CD C 13 25.697 0.010 A 60 LYS CE C 13 42.251 0.000 A 60 LYS CG C 13 25.728 0.000 A 60 LYS N N 15 125.728 0.000 A 61 PRO HA H 1 4.028 0.000 A 61 PRO HBx H 1 1.799 0.010 A 61 PRO HBy H 1 2.231 0.000 A 61 PRO HDx H 1 3.736 0.000 A 61 PRO HDy H 1 4.025 0.000 A 61 PRO HGx H 1 2.088 0.010 A 61 PRO HGy H 1 2.091 0.000 A 61 PRO CA C 13 62.493 0.000 A 61 PRO CB C 13 32.909 0.000 A 61 PRO CD C 13 50.571 0.000 A 61 PRO CG C 13 27.413 0.000 A 62 VAL H H 1 8.306 0.000 A 62 VAL HA H 1 4.612 0.000 A 62 VAL HB H 1 1.869 0.000 A 62 VAL HGx% H 1 0.960 0.000 A 62 VAL HGy% H 1 0.596 0.000 A 62 VAL CA C 13 60.526 0.000 A 62 VAL CB C 13 36.353 0.000 A 62 VAL CGx C 13 21.964 0.010 A 62 VAL N N 15 118.440 0.000 A 63 THR H H 1 8.178 0.000 A 63 THR HA H 1 5.628 0.000 A 63 THR HB H 1 3.909 0.000 A 63 THR HG2% H 1 1.076 0.000 A 63 THR CA C 13 60.223 0.000 A 63 THR CB C 13 70.279 0.000 A 63 THR CG2 C 13 21.414 0.000 A 63 THR N N 15 119.075 0.000 A 64 VAL H H 1 9.080 0.000 A 64 VAL HA H 1 4.716 0.000 A 64 VAL HB H 1 2.032 0.000 A 64 VAL HGx% H 1 0.817 0.000 A 64 VAL HGy% H 1 0.821 0.000 A 64 VAL CB C 13 35.592 0.000 A 64 VAL CGx C 13 20.024 0.000 A 64 VAL CGy C 13 21.175 0.000 A 64 VAL N N 15 120.819 0.000 A 65 LYS H H 1 8.527 0.000 A 65 LYS HA H 1 4.221 0.000 A 65 LYS HBx H 1 1.516 0.010 A 65 LYS HBy H 1 1.788 0.000 A 65 LYS HDx H 1 1.795 0.000 A 65 LYS HDy H 1 2.230 0.010 A 65 LYS HEx H 1 2.714 0.000 A 65 LYS HEy H 1 2.720 0.000 A 65 LYS HGx H 1 1.111 0.010 A 65 LYS HGy H 1 1.123 0.010 A 65 LYS CA C 13 56.845 0.000 A 65 LYS CB C 13 32.661 0.000 A 65 LYS CE C 13 41.824 0.000 A 65 LYS CG C 13 21.915 0.010 A 65 LYS N N 15 124.745 0.000 A 66 ALA H H 1 8.326 0.000 A 66 ALA HA H 1 3.881 0.000 A 66 ALA HB% H 1 1.224 0.000 A 66 ALA CA C 13 53.031 0.000 A 66 ALA CB C 13 19.204 0.000 A 66 ALA N N 15 125.279 0.000 A 67 ALA H H 1 6.722 0.000 A 67 ALA HA H 1 4.022 0.000 A 67 ALA HB% H 1 1.343 0.000 A 67 ALA CA C 13 50.534 0.000 A 67 ALA CB C 13 21.412 0.000 A 67 ALA N N 15 122.536 0.000 A 68 ALA H H 1 8.626 0.000 A 68 ALA HA H 1 4.025 0.000 A 68 ALA HB% H 1 1.462 0.000 A 68 ALA CA C 13 55.930 0.000 A 68 ALA CB C 13 18.158 0.000 A 68 ALA N N 15 122.801 0.000 A 69 ILE H H 1 7.370 0.000 A 69 ILE HA H 1 4.998 0.000 A 69 ILE HB H 1 1.626 0.000 A 69 ILE HD1% H 1 0.803 0.010 A 69 ILE HG1x H 1 1.039 0.000 A 69 ILE HG1y H 1 1.408 0.000 A 69 ILE HG2% H 1 0.731 0.010 A 69 ILE CA C 13 59.097 0.000 A 69 ILE CB C 13 40.535 0.000 A 69 ILE CD1 C 13 12.554 0.010 A 69 ILE CG1 C 13 27.166 0.000 A 69 ILE CG2 C 13 17.242 0.010 A 69 ILE N N 15 114.786 0.000 A 70 VAL H H 1 8.284 0.000 A 70 VAL HA H 1 4.994 0.000 A 70 VAL HB H 1 1.755 0.000 A 70 VAL HGx% H 1 0.863 0.010 A 70 VAL HGy% H 1 1.061 0.000 A 70 VAL CB C 13 35.040 0.000 A 70 VAL CGx C 13 21.259 0.010 A 70 VAL CGy C 13 22.695 0.000 A 70 VAL N N 15 124.969 0.000 A 71 ASN H H 1 8.649 0.000 A 71 ASN HA H 1 5.494 0.000 A 71 ASN HBx H 1 2.587 0.000 A 71 ASN HBy H 1 2.587 0.000 A 71 ASN HD2y H 1 7.458 0.000 A 71 ASN HD2x H 1 6.454 0.000 A 71 ASN CA C 13 52.403 0.000 A 71 ASN CB C 13 39.992 0.000 A 71 ASN N N 15 125.426 0.000 A 71 ASN ND2 N 15 112.279 0.000 A 72 VAL H H 1 9.002 0.000 A 72 VAL HA H 1 4.323 0.000 A 72 VAL HB H 1 2.015 0.000 A 72 VAL HGx% H 1 0.858 0.000 A 72 VAL HGy% H 1 0.597 0.010 A 72 VAL CA C 13 61.076 0.000 A 72 VAL CB C 13 35.552 0.000 A 72 VAL CGx C 13 21.533 0.010 A 72 VAL N N 15 123.313 0.000 A 73 LEU H H 1 8.585 0.000 A 73 LEU HA H 1 5.243 0.000 A 73 LEU HBx H 1 1.052 0.000 A 73 LEU HBy H 1 1.671 0.000 A 73 LEU HDx% H 1 1.059 0.010 A 73 LEU HDy% H 1 0.739 0.000 A 73 LEU HG H 1 1.497 0.000 A 73 LEU CA C 13 52.824 0.000 A 73 LEU CB C 13 43.478 0.000 A 73 LEU CDx C 13 24.792 0.000 A 73 LEU CDy C 13 25.206 0.000 A 73 LEU CG C 13 27.229 0.000 A 73 LEU N N 15 129.984 0.000 A 74 LEU H H 1 8.827 0.000 A 74 LEU HA H 1 4.841 0.000 A 74 LEU HBy H 1 1.511 0.000 A 74 LEU HBx H 1 1.058 0.000 A 74 LEU HDx% H 1 0.573 0.000 A 74 LEU HDy% H 1 0.562 0.000 A 74 LEU HG H 1 1.491 0.000 A 74 LEU CB C 13 44.463 0.000 A 74 LEU CDx C 13 24.062 0.010 A 74 LEU CDy C 13 24.985 0.000 A 74 LEU CG C 13 27.249 0.000 A 74 LEU N N 15 124.396 0.000 A 75 GLU HA H 1 4.774 0.000 A 75 GLU HBx H 1 2.003 0.000 A 75 GLU HBy H 1 2.059 0.000 A 75 GLU HGx H 1 2.297 0.010 A 75 GLU HGy H 1 2.297 0.000 A 75 GLU CB C 13 32.907 0.000 A 75 GLU CG C 13 36.897 0.000 A 75 GLU N N 15 125.939 0.000 A 76 GLU H H 1 9.147 0.000 A 76 GLU HA H 1 3.486 0.000 A 76 GLU HBx H 1 1.734 0.000 A 76 GLU HBy H 1 1.734 0.000 A 76 GLU HGx H 1 1.796 0.000 A 76 GLU HGy H 1 2.008 0.000 A 76 GLU CA C 13 57.827 0.000 A 76 GLU CB C 13 30.265 0.000 A 76 GLU CG C 13 37.482 0.000 A 76 GLU N N 15 125.635 0.000 A 77 ASP H H 1 8.410 0.000 A 77 ASP HA H 1 4.586 0.000 A 77 ASP HBx H 1 2.058 0.000 A 77 ASP HBy H 1 2.522 0.000 A 77 ASP CA C 13 53.065 0.000 A 77 ASP CB C 13 40.905 0.000 A 77 ASP N N 15 122.724 0.000 A 78 THR H H 1 7.965 0.000 A 78 THR HA H 1 4.216 0.000 A 78 THR HB H 1 4.199 0.000 A 78 THR HG1 H 1 4.203 0.010 A 78 THR HG2% H 1 1.126 0.000 A 78 THR CA C 13 61.630 0.000 A 78 THR CB C 13 69.556 0.000 A 78 THR CG2 C 13 21.675 0.000 A 78 THR N N 15 115.364 0.000 A 79 GLN H H 1 8.368 0.000 A 79 GLN HA H 1 4.271 0.000 A 79 GLN HBx H 1 1.979 0.000 A 79 GLN HBy H 1 2.060 0.000 A 79 GLN HE2x H 1 6.795 0.000 A 79 GLN HE2y H 1 7.595 0.000 A 79 GLN HGx H 1 2.297 0.000 A 79 GLN HGy H 1 2.297 0.000 A 79 GLN CA C 13 55.866 0.000 A 79 GLN CB C 13 29.345 0.000 A 79 GLN CG C 13 33.869 0.000 A 79 GLN N N 15 122.507 0.000 A 79 GLN NE2 N 15 113.129 0.000 A 80 MET H H 1 8.361 0.000 A 80 MET HA H 1 4.443 0.000 A 80 MET HBx H 1 2.025 0.000 A 80 MET HBy H 1 2.034 0.000 A 80 MET HE% H 1 2.054 0.010 A 80 MET HGx H 1 2.497 0.010 A 80 MET HGy H 1 2.539 0.000 A 80 MET CA C 13 55.495 0.000 A 80 MET CB C 13 32.686 0.000 A 80 MET CE C 13 17.013 0.000 A 80 MET CG C 13 31.952 0.000 A 80 MET N N 15 122.448 0.000 A 81 VAL H H 1 8.160 0.000 A 81 VAL HA H 1 4.130 0.000 A 81 VAL HB H 1 2.041 0.000 A 81 VAL HGx% H 1 0.898 0.000 A 81 VAL HGy% H 1 0.893 0.000 A 81 VAL CA C 13 62.195 0.000 A 81 VAL CB C 13 32.810 0.000 A 81 VAL CGy C 13 20.332 0.000 A 81 VAL CGx C 13 20.325 0.010 A 81 VAL N N 15 121.502 0.000 A 82 ASP H H 1 8.354 0.000 A 82 ASP HA H 1 4.564 0.000 A 82 ASP HBx H 1 2.532 0.000 A 82 ASP HBy H 1 2.659 0.000 A 82 ASP CA C 13 54.358 0.000 A 82 ASP CB C 13 41.295 0.000 A 82 ASP N N 15 124.223 0.000 A 83 GLU H H 1 8.273 0.000 A 83 GLU HA H 1 4.239 0.000 A 83 GLU HBx H 1 1.900 0.000 A 83 GLU HBy H 1 1.997 0.000 A 83 GLU HGx H 1 2.176 0.010 A 83 GLU HGy H 1 2.179 0.000 A 83 GLU CA C 13 56.451 0.000 A 83 GLU CB C 13 30.509 0.000 A 83 GLU CG C 13 36.201 0.000 A 83 GLU N N 15 121.554 0.000 A 84 VAL H H 1 8.219 0.000 A 84 VAL HA H 1 4.036 0.010 A 84 VAL HB H 1 2.005 0.000 A 84 VAL HGx% H 1 0.886 0.010 A 84 VAL HGy% H 1 1.240 0.000 A 84 VAL CA C 13 62.494 0.010 A 84 VAL CB C 13 32.729 0.000 A 84 VAL CGx C 13 21.112 0.010 A 84 VAL CGy C 13 22.751 0.010 A 84 VAL N N 15 122.688 0.000 A 85 VAL H H 1 8.267 0.000 A 85 VAL HA H 1 4.035 0.010 A 85 VAL HB H 1 2.007 0.000 A 85 VAL HGx% H 1 0.880 0.010 A 85 VAL HGy% H 1 0.879 0.010 A 85 VAL CA C 13 62.393 0.000 A 85 VAL CB C 13 32.736 0.000 A 85 VAL CGx C 13 21.140 0.010 A 85 VAL CGy C 13 24.086 0.010 A 85 VAL N N 15 125.799 0.000 A 86 VAL H H 1 8.363 0.000 A 86 VAL HA H 1 4.101 0.000 A 86 VAL HB H 1 2.038 0.000 A 86 VAL HGx% H 1 0.892 0.010 A 86 VAL HGy% H 1 1.138 0.010 A 86 VAL CA C 13 62.100 0.000 A 86 VAL CB C 13 32.814 0.000 A 86 VAL CGx C 13 20.879 0.010 A 86 VAL CGy C 13 21.267 0.010 A 86 VAL N N 15 125.597 0.000 A 87 THR H H 1 8.249 0.000 A 87 THR HA H 1 4.298 0.010 A 87 THR HB H 1 4.114 0.000 A 87 THR HG1 H 1 4.518 0.010 A 87 THR HG2% H 1 1.143 0.010 A 87 THR CA C 13 61.972 0.000 A 87 THR CB C 13 69.732 0.000 A 87 THR CG2 C 13 22.900 0.010 A 87 THR N N 15 118.439 0.000 A 88 GLY H H 1 8.284 0.000 A 88 GLY HAx H 1 3.887 0.010 A 88 GLY HAy H 1 4.287 0.010 A 88 GLY CA C 13 45.084 0.000 A 88 GLY N N 15 111.051 0.000 A 89 TYR H H 1 8.075 0.000 A 89 TYR HA H 1 4.787 0.010 A 89 TYR HBx H 1 2.903 0.000 A 89 TYR HBy H 1 3.116 0.000 A 89 TYR HDx H 1 7.524 0.010 A 89 TYR HEx H 1 7.301 0.010 A 89 TYR HEy H 1 7.301 0.010 A 89 TYR CA C 13 57.741 0.010 A 89 TYR CB C 13 38.784 0.000 A 89 TYR N N 15 120.089 0.000 A 90 THR H H 1 7.730 0.000 A 90 THR HA H 1 4.457 0.010 A 90 THR HB H 1 4.185 0.010 A 90 THR HG1 H 1 7.911 0.010 A 90 THR HG2% H 1 0.964 0.010 A 90 THR CA C 13 63.021 0.000 A 90 THR CB C 13 70.536 0.010 A 90 THR CG2 C 13 21.704 0.000 A 90 THR N N 15 120.531 0.000 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 59 TYR HBy A 75 GLU H 1.0 . 5.34 2 2 A 75 GLU H A 59 TYR HDx 1.0 . 4.25 3 3 A 75 GLU H A 74 LEU HA 1.0 . 2.60 4 4 A 75 GLU H A 76 GLU HA 1.0 . 5.50 5 5 A 75 GLU H A 59 TYR HBx 1.0 . 4.80 6 6 A 75 GLU H A 74 LEU HG 1.0 . 3.49 7 7 A 13 LYS H A 76 GLU H 1.0 . 5.49 8 8 A 75 GLU H A 13 LYS H 1.0 . 5.23 9 9 A 13 LYS H A 73 LEU HA 1.0 . 4.75 10 10 A 13 LYS H A 13 LYS HBy 1.0 . 3.08 11 11 A 13 LYS H A 13 LYS HBx 1.0 . 3.08 12 12 A 13 LYS H A 74 LEU HBx 1.0 . 4.74 13 13 A 13 LYS H A 19 ILE HD1% 1.0 . 4.65 14 14 A 10 VAL H A 11 THR H 1.0 . 4.61 15 15 A 10 VAL H A 9 ASN HD2y 1.0 . 4.39 16 16 A 10 VAL H A 9 ASN HD2x 1.0 . 4.66 17 17 A 10 VAL H A 41 ASN HA 1.0 . 3.96 18 18 A 10 VAL H A 9 ASN HA 1.0 . 2.73 19 19 A 10 VAL H A 40 GLY HAy 1.0 . 4.01 20 20 A 10 VAL H A 40 GLY HAx 1.0 . 4.68 21 21 A 10 VAL H A 9 ASN HBy 1.0 . 4.58 22 22 A 10 VAL H A 9 ASN HBx 1.0 . 4.58 23 23 A 10 VAL H A 10 VAL HB 1.0 . 3.15 24 24 A 10 VAL H A 10 VAL HGy% 1.0 . 4.12 25 25 A 10 VAL H A 10 VAL HGx% 1.0 . 4.05 26 26 A 52 LEU H A 64 VAL H 1.0 . 3.29 27 27 A 52 LEU H A 51 THR H 1.0 . 4.82 28 28 A 52 LEU H A 63 THR HA 1.0 . 5.08 29 29 A 52 LEU H A 51 THR HA 1.0 . 2.82 30 30 A 52 LEU H A 65 LYS HA 1.0 . 4.10 31 31 A 52 LEU H A 51 THR HB 1.0 . 3.38 32 32 A 52 LEU H A 51 THR HG2% 1.0 . 3.35 33 33 A 54 ILE H A 62 VAL HB 1.0 . 5.50 34 34 A 64 VAL H A 54 ILE H 1.0 . 4.59 35 35 A 54 ILE H A 62 VAL H 1.0 . 3.75 36 36 A 63 THR HA A 54 ILE H 1.0 . 3.92 37 37 A 54 ILE H A 53 LYS HA 1.0 . 2.67 38 38 A 54 ILE H A 54 ILE HB 1.0 . 3.12 39 39 A 54 ILE H A 53 LYS HBx 1.0 . 4.33 40 40 A 54 ILE H A 54 ILE HD1% 1.0 . 5.44 41 41 A 75 GLU H A 60 LYS H 1.0 . 4.77 42 42 A 60 LYS H A 59 TYR H 1.0 . 4.66 43 43 A 60 LYS H A 77 ASP H 1.0 . 3.94 44 44 A 59 TYR HDx A 60 LYS H 1.0 . 4.41 45 45 A 60 LYS H A 59 TYR HA 1.0 . 2.91 46 46 A 60 LYS H A 61 PRO HDy 1.0 . 5.36 47 47 A 76 GLU HA A 60 LYS H 1.0 . 4.80 48 48 A 59 TYR HBy A 60 LYS H 1.0 . 3.69 49 49 A 59 TYR HBx A 60 LYS H 1.0 . 3.27 50 50 A 60 LYS H A 61 PRO HDx 1.0 . 5.36 51 51 A 74 LEU HBx A 60 LYS H 1.0 . 5.09 52 52 A 27 THR HA A 53 LYS H 1.0 . 5.22 53 53 A 75 GLU H A 76 GLU H 1.0 . 4.69 54 54 A 76 GLU H A 77 ASP H 1.0 . 4.81 55 55 A 53 LYS H A 25 VAL H 1.0 . 4.02 56 56 A 63 THR HA A 53 LYS H 1.0 . 5.16 57 57 A 53 LYS H A 52 LEU HA 1.0 . 2.65 58 58 A 76 GLU H A 75 GLU HA 1.0 . 2.50 59 59 A 76 GLU H A 77 ASP HA 1.0 . 5.50 60 60 A 76 GLU H A 76 GLU HBx 1.0 . 3.19 61 61 A 76 GLU H A 76 GLU HBy 1.0 . 3.19 62 62 A 53 LYS H A 53 LYS HBy 1.0 . 3.10 63 63 A 53 LYS HBx A 53 LYS H 1.0 . 3.46 64 64 A 53 LYS H A 52 LEU HBx 1.0 . 3.49 65 65 A 53 LYS H A 25 VAL HGy% 1.0 . 3.67 66 66 A 64 VAL H A 63 THR H 1.0 . 4.48 67 67 A 64 VAL H A 63 THR HA 1.0 . 2.63 68 68 A 64 VAL H A 53 LYS HA 1.0 . 3.86 69 69 A 64 VAL H A 63 THR HB 1.0 . 3.76 70 70 A 64 VAL H A 64 VAL HB 1.0 . 4.03 71 71 A 64 VAL H A 52 LEU HBy 1.0 . 3.90 72 72 A 64 VAL H A 51 THR HG2% 1.0 . 4.09 73 73 A 64 VAL H A 63 THR HG2% 1.0 . 4.46 74 74 A 64 VAL H A 64 VAL HGx% 1.0 . 4.34 75 75 A 34 THR H A 35 ILE H 1.0 . 4.65 76 76 A 34 THR H A 34 THR HG1 1.0 . 4.45 77 77 A 34 THR H A 33 GLY H 1.0 . 4.80 78 78 A 34 THR H A 23 SER HA 1.0 . 5.50 79 79 A 34 THR H A 35 ILE HA 1.0 . 5.50 80 80 A 34 THR H A 33 GLY HAy 1.0 . 2.87 81 81 A 34 THR H A 24 VAL HA 1.0 . 5.12 82 82 A 34 THR H A 34 THR HB 1.0 . 3.74 83 83 A 34 THR H A 33 GLY HAx 1.0 . 3.06 84 84 A 34 THR H A 34 THR HG2% 1.0 . 3.84 85 85 A 34 THR H A 44 LEU HG 1.0 . 4.61 86 86 A 34 THR H A 24 VAL HG11 1.0 . 4.97 87 87 A 34 THR H A 24 VAL HGy% 1.0 . 4.97 88 88 A 71 ASN H A 72 VAL H 1.0 . 4.54 89 89 A 72 VAL H A 73 LEU H 1.0 . 4.47 90 90 A 11 THR H A 72 VAL H 1.0 . 4.46 91 91 A 72 VAL H A 71 ASN HA 1.0 . 2.67 92 92 A 72 VAL H A 10 VAL HA 1.0 . 3.54 93 93 A 72 VAL H A 71 ASN HBy 1.0 . 3.73 94 94 A 72 VAL H A 72 VAL HB 1.0 . 3.10 95 95 A 72 VAL H A 9 ASN H 1.0 . 4.79 96 96 A 10 VAL HGx% A 72 VAL H 1.0 . 4.39 97 97 A 56 TYR H A 56 TYR HDy 1.0 . 5.28 98 98 A 56 TYR H A 55 THR HA 1.0 . 2.63 99 99 A 56 TYR H A 55 THR HB 1.0 . 3.29 100 100 A 56 TYR H A 56 TYR HBy 1.0 . 3.99 101 101 A 56 TYR H A 56 TYR HBx 1.0 . 3.99 102 102 A 75 GLU H A 74 LEU H 1.0 . 4.70 103 103 A 13 LYS H A 74 LEU H 1.0 . 3.64 104 104 A 53 LYS H A 27 THR H 1.0 . 4.29 105 105 A 73 LEU HA A 74 LEU H 1.0 . 2.64 106 106 A 27 THR H A 26 GLU HGx 1.0 . 5.29 107 107 A 27 THR H A 26 GLU HGy 1.0 . 5.29 108 108 A 74 LEU H A 74 LEU HBy 1.0 . 3.26 109 109 A 74 LEU HBx A 74 LEU H 1.0 . 3.94 110 110 A 44 LEU HG A 45 SER H 1.0 . 4.48 111 111 A 19 ILE HD1% A 74 LEU H 1.0 . 4.45 112 112 A 51 THR H A 50 SER H 1.0 . 5.13 113 113 A 27 THR H A 28 THR H 1.0 . 4.11 114 114 A 52 LEU HA A 27 THR H 1.0 . 3.57 115 115 A 27 THR H A 26 GLU HA 1.0 . 2.86 116 116 A 27 THR H A 27 THR HB 1.0 . 3.70 117 117 A 27 THR H A 27 THR HG2% 1.0 . 3.00 118 118 A 51 THR H A 51 THR HG1 1.0 . 4.81 119 119 A 51 THR H A 50 SER HG 1.0 . 3.15 120 120 A 51 THR H A 50 SER HA 1.0 . 3.06 121 121 A 51 THR H A 51 THR HG2% 1.0 . 3.91 122 122 A 51 THR H A 27 THR HB 1.0 . 5.09 123 123 A 23 SER H A 56 TYR HDx 1.0 . 4.29 124 124 A 23 SER H A 23 SER HBy 1.0 . 3.89 125 125 A 23 SER H A 23 SER HG 1.0 . 4.38 126 126 A 23 SER H A 22 ALA HA 1.0 . 2.76 127 127 A 55 THR HB A 23 SER H 1.0 . 5.50 128 128 A 23 SER H A 23 SER HBx 1.0 . 3.89 129 129 A 23 SER H A 55 THR HG2% 1.0 . 5.50 130 130 A 23 SER H A 22 ALA HB% 1.0 . 3.25 131 131 A 23 SER H A 54 ILE HG2% 1.0 . 4.34 132 132 A 23 SER H A 54 ILE HA 1.0 . 5.50 133 133 A 42 PHE HA A 43 THR H 1.0 . 2.82 134 134 A 43 THR H A 43 THR HB 1.0 . 3.88 135 135 A 43 THR H A 42 PHE HBy 1.0 . 3.95 136 136 A 43 THR H A 43 THR HG1 1.0 . 4.40 137 137 A 43 THR H A 42 PHE HBx 1.0 . 3.61 138 138 A 34 THR HG2% A 43 THR H 1.0 . 3.22 139 139 A 43 THR H A 42 PHE HDx 1.0 . 3.92 140 140 A 37 ASP H A 40 GLY H 1.0 . 3.89 141 141 A 37 ASP H A 41 ASN H 1.0 . 3.58 142 142 A 37 ASP H A 21 GLY H 1.0 . 5.50 143 143 A 37 ASP H A 38 PHE H 1.0 . 4.93 144 144 A 37 ASP H A 36 THR HG1 1.0 . 4.88 145 145 A 42 PHE HA A 37 ASP H 1.0 . 4.57 146 146 A 37 ASP H A 36 THR HA 1.0 . 2.72 147 147 A 37 ASP H A 36 THR HB 1.0 . 3.19 148 148 A 40 GLY HAx A 37 ASP H 1.0 . 4.61 149 149 A 37 ASP H A 20 ILE HA 1.0 . 5.26 150 150 A 37 ASP H A 37 ASP HBy 1.0 . 3.71 151 151 A 37 ASP H A 37 ASP HBx 1.0 . 3.71 152 152 A 42 PHE HBx A 37 ASP H 1.0 . 5.50 153 153 A 37 ASP H A 36 THR HG2% 1.0 . 3.79 154 154 A 42 PHE HBx A 44 LEU H 1.0 . 5.29 155 155 A 43 THR HG1 A 44 LEU H 1.0 . 4.98 156 156 A 44 LEU H A 43 THR HA 1.0 . 2.92 157 157 A 44 LEU H A 44 LEU HBy 1.0 . 3.85 158 158 A 44 LEU H A 44 LEU HBx 1.0 . 3.85 159 159 A 44 LEU H A 43 THR HG2% 1.0 . 4.21 160 160 A 42 PHE HDx A 44 LEU H 1.0 . 4.39 161 161 A 21 GLY H A 36 THR H 1.0 . 4.11 162 162 A 36 THR HG1 A 36 THR H 1.0 . 4.26 163 163 A 35 ILE HA A 36 THR H 1.0 . 2.82 164 164 A 22 ALA HA A 36 THR H 1.0 . 5.00 165 165 A 71 ASN H A 70 VAL HB 1.0 . 4.63 166 166 A 36 THR H A 35 ILE HB 1.0 . 3.41 167 167 A 36 THR HG2% A 36 THR H 1.0 . 3.08 168 168 A 36 THR H A 35 ILE HG2% 1.0 . 3.82 169 169 A 71 ASN H A 71 ASN HBx 1.0 . 3.45 170 170 A 71 ASN H A 70 VAL H 1.0 . 4.85 171 171 A 45 SER H A 46 VAL H 1.0 . 4.37 172 172 A 46 VAL H A 45 SER HA 1.0 . 3.24 173 173 A 46 VAL H A 45 SER HBx 1.0 . 5.16 174 174 A 29 ALA HB% A 32 ASN H 1.0 . 4.23 175 175 A 46 VAL H A 46 VAL HGx% 1.0 . 4.58 176 176 A 32 ASN H A 31 THR H 1.0 . 4.31 177 177 A 33 GLY H A 32 ASN H 1.0 . 4.81 178 178 A 50 SER HA A 49 ASN H 1.0 . 4.99 179 179 A 32 ASN H A 31 THR HB 1.0 . 4.83 180 180 A 57 ILE HA A 58 GLY H 1.0 . 2.60 181 181 A 32 ASN H A 32 ASN HBy 1.0 . 3.68 182 182 A 32 ASN H A 32 ASN HBx 1.0 . 3.68 183 183 A 32 ASN H A 25 VAL HB 1.0 . 5.50 184 184 A 58 GLY H A 57 ILE HB 1.0 . 4.42 185 185 A 68 ALA H A 68 ALA HB% 1.0 . 4.16 186 186 A 58 GLY H A 57 ILE HG2% 1.0 . 4.37 187 187 A 58 GLY H A 57 ILE H 1.0 . 4.52 188 188 A 58 GLY H A 59 TYR HDy 1.0 . 4.88 189 189 A 49 ASN H A 48 VAL HB 1.0 . 5.13 190 190 A 68 ALA H A 67 ALA HB% 1.0 . 4.23 191 191 A 49 ASN H A 48 VAL HGx% 1.0 . 5.09 192 192 A 49 ASN H A 48 VAL HGy% 1.0 . 5.09 193 193 A 46 VAL H A 45 SER HBy 1.0 . 5.16 194 194 A 54 ILE H A 55 THR H 1.0 . 4.67 195 195 A 62 VAL H A 55 THR H 1.0 . 5.23 196 196 A 54 ILE HA A 55 THR H 1.0 . 2.65 197 197 A 55 THR H A 55 THR HG1 1.0 . 3.84 198 198 A 24 VAL HA A 55 THR H 1.0 . 3.90 199 199 A 55 THR HB A 55 THR H 1.0 . 4.00 200 200 A 54 ILE HB A 55 THR H 1.0 . 4.61 201 201 A 55 THR HG2% A 55 THR H 1.0 . 3.70 202 202 A 54 ILE HG2% A 55 THR H 1.0 . 3.28 203 203 A 55 THR H A 24 VAL HG11 1.0 . 5.44 204 204 A 55 THR H A 24 VAL HGy% 1.0 . 5.44 205 205 A 73 LEU H A 72 VAL HA 1.0 . 2.52 206 206 A 6 THR H A 6 THR HG1 1.0 . 5.28 207 207 A 73 LEU H A 72 VAL HB 1.0 . 4.08 208 208 A 73 LEU H A 73 LEU HG 1.0 . 3.66 209 209 A 59 TYR H A 59 TYR HDy 1.0 . 3.32 210 210 A 6 THR H A 6 THR HB 1.0 . 3.23 211 211 A 59 TYR HBy A 59 TYR H 1.0 . 3.07 212 212 A 59 TYR HBx A 59 TYR H 1.0 . 3.86 213 213 A 59 TYR H A 57 ILE HA 1.0 . 4.27 214 214 A 74 LEU HG A 59 TYR H 1.0 . 5.50 215 215 A 6 THR H A 6 THR HG2% 1.0 . 3.87 216 216 A 59 TYR H A 74 LEU HDx% 1.0 . 4.95 217 217 A 59 TYR H A 74 LEU HDy% 1.0 . 4.95 218 218 A 13 LYS H A 12 SER H 1.0 . 4.82 219 219 A 12 SER H A 11 THR HA 1.0 . 2.82 220 220 A 12 SER H A 18 PRO HA 1.0 . 4.25 221 221 A 12 SER H A 12 SER HBy 1.0 . 3.48 222 222 A 12 SER H A 12 SER HBx 1.0 . 3.48 223 223 A 12 SER H A 11 THR HB 1.0 . 3.16 224 224 A 12 SER H A 11 THR HG2% 1.0 . 3.41 225 225 A 19 ILE HD1% A 12 SER H 1.0 . 4.02 226 226 A 64 VAL H A 65 LYS H 1.0 . 4.52 227 227 A 74 LEU H A 12 SER H 1.0 . 4.68 228 228 A 65 LYS H A 64 VAL HA 1.0 . 2.53 229 229 A 64 VAL HB A 65 LYS H 1.0 . 3.21 230 230 A 65 LYS H A 65 LYS HBx 1.0 . 3.67 231 231 A 51 THR HG2% A 65 LYS H 1.0 . 4.36 232 232 A 65 LYS H A 64 VAL HGx% 1.0 . 4.44 233 233 A 65 LYS H A 64 VAL HGy% 1.0 . 4.44 234 234 A 10 VAL HGx% A 12 SER H 1.0 . 5.15 235 235 A 74 LEU H A 14 THR H 1.0 . 5.50 236 236 A 14 THR H A 15 ASP H 1.0 . 3.69 237 237 A 14 THR H A 13 LYS HBx 1.0 . 4.53 238 238 A 14 THR H A 14 THR HG2% 1.0 . 3.83 239 239 A 19 ILE HD1% A 14 THR H 1.0 . 5.50 240 240 A 13 LYS H A 14 THR H 1.0 . 3.25 241 241 A 14 THR H A 17 GLN H 1.0 . 4.87 242 242 A 9 ASN HD2y A 40 GLY H 1.0 . 5.50 243 243 A 14 THR H A 14 THR HG1 1.0 . 2.76 244 244 A 14 THR H A 13 LYS HBy 1.0 . 4.53 245 245 A 40 GLY H A 18 PRO HBx 1.0 . 4.57 246 246 A 40 GLY H A 38 PHE H 1.0 . 4.67 247 247 A 40 GLY H A 36 THR HG1 1.0 . 5.50 248 248 A 40 GLY H A 18 PRO HA 1.0 . 5.50 249 249 A 40 GLY H A 20 ILE HA 1.0 . 4.67 250 250 A 40 GLY H A 39 ASP HBy 1.0 . 4.59 251 251 A 40 GLY H A 39 ASP HBx 1.0 . 4.59 252 252 A 40 GLY H A 18 PRO HBy 1.0 . 4.16 253 253 A 40 GLY H A 20 ILE HG1y 1.0 . 5.35 254 254 A 40 GLY H A 20 ILE HG1x 1.0 . 4.15 255 255 A 40 GLY H A 20 ILE HG2% 1.0 . 5.01 256 256 A 40 GLY H A 20 ILE HD1% 1.0 . 5.42 257 257 A 30 THR H A 30 THR HG1 1.0 . 5.50 258 258 A 30 THR H A 30 THR HG2% 1.0 . 4.00 259 259 A 31 THR H A 30 THR H 1.0 . 5.26 260 260 A 77 ASP H A 78 THR H 1.0 . 4.84 261 261 A 59 TYR HDx A 77 ASP H 1.0 . 4.83 262 262 A 77 ASP H A 59 TYR HA 1.0 . 2.86 263 263 A 76 GLU HA A 77 ASP H 1.0 . 2.73 264 264 A 59 TYR HBy A 77 ASP H 1.0 . 5.50 265 265 A 59 TYR HBx A 77 ASP H 1.0 . 4.75 266 266 A 77 ASP H A 77 ASP HBy 1.0 . 3.71 267 267 A 77 ASP H A 77 ASP HBx 1.0 . 3.71 268 268 A 77 ASP H A 76 GLU HBx 1.0 . 3.80 269 269 A 77 ASP H A 76 GLU HBy 1.0 . 3.80 270 270 A 77 ASP H A 60 LYS HGx 1.0 . 5.50 271 271 A 77 ASP H A 60 LYS HGy 1.0 . 5.50 272 272 A 77 ASP H A 78 THR HG2% 1.0 . 5.00 273 273 A 78 THR H A 79 GLN H 1.0 . 4.89 274 274 A 79 GLN H A 79 GLN HGx 1.0 . 5.50 275 275 A 79 GLN H A 79 GLN HGy 1.0 . 5.50 276 276 A 86 VAL H A 86 VAL HB 1.0 . 3.77 277 277 A 25 VAL H A 24 VAL HA 1.0 . 2.74 278 278 A 25 VAL H A 25 VAL HB 1.0 . 4.03 279 279 A 25 VAL H A 53 LYS HBy 1.0 . 4.10 280 280 A 53 LYS HBx A 25 VAL H 1.0 . 5.50 281 281 A 86 VAL H A 85 VAL HGx% 1.0 . 4.85 282 282 A 86 VAL H A 85 VAL HGy% 1.0 . 4.85 283 283 A 25 VAL H A 25 VAL HGy% 1.0 . 3.15 284 284 A 81 VAL H A 82 ASP H 1.0 . 4.13 285 285 A 82 ASP H A 81 VAL HB 1.0 . 4.32 286 286 A 82 ASP H A 81 VAL HGx% 1.0 . 4.89 287 287 A 82 ASP H A 81 VAL HGy% 1.0 . 4.89 288 288 A 52 LEU H A 66 ALA H 1.0 . 4.59 289 289 A 51 THR H A 66 ALA H 1.0 . 5.50 290 290 A 40 GLY H A 41 ASN H 1.0 . 3.12 291 291 A 50 SER H A 66 ALA H 1.0 . 5.26 292 292 A 9 ASN HD2y A 41 ASN H 1.0 . 5.02 293 293 A 66 ALA H A 67 ALA H 1.0 . 4.73 294 294 A 65 LYS HA A 66 ALA H 1.0 . 2.82 295 295 A 41 ASN H A 41 ASN HBy 1.0 . 3.95 296 296 A 41 ASN H A 41 ASN HBx 1.0 . 3.95 297 297 A 66 ALA H A 65 LYS HBy 1.0 . 3.96 298 298 A 66 ALA H A 65 LYS HBx 1.0 . 3.96 299 299 A 66 ALA H A 66 ALA HB% 1.0 . 3.07 300 300 A 10 VAL H A 42 PHE H 1.0 . 5.37 301 301 A 35 ILE H A 35 ILE HB 1.0 . 3.83 302 302 A 11 THR H A 74 LEU H 1.0 . 4.36 303 303 A 43 THR H A 42 PHE H 1.0 . 4.69 304 304 A 9 ASN H A 42 PHE H 1.0 . 5.50 305 305 A 42 PHE HDx A 42 PHE H 1.0 . 4.62 306 306 A 42 PHE H A 42 PHE HEy 1.0 . 5.17 307 307 A 41 ASN HA A 42 PHE H 1.0 . 2.79 308 308 A 9 ASN HA A 42 PHE H 1.0 . 4.73 309 309 A 73 LEU HA A 11 THR H 1.0 . 3.42 310 310 A 35 ILE H A 34 THR HA 1.0 . 2.82 311 311 A 36 THR HA A 42 PHE H 1.0 . 4.93 312 312 A 20 ILE H A 38 PHE HA 1.0 . 5.50 313 313 A 11 THR H A 11 THR HB 1.0 . 3.88 314 314 A 42 PHE HBx A 42 PHE H 1.0 . 4.00 315 315 A 11 THR H A 10 VAL HB 1.0 . 4.28 316 316 A 62 VAL H A 54 ILE HB 1.0 . 4.02 317 317 A 11 THR H A 11 THR HG1 1.0 . 4.41 318 318 A 35 ILE H A 35 ILE HG1y 1.0 . 4.22 319 319 A 35 ILE H A 34 THR HG2% 1.0 . 3.25 320 320 A 36 THR HG2% A 42 PHE H 1.0 . 4.39 321 321 A 11 THR H A 11 THR HG2% 1.0 . 3.74 322 322 A 62 VAL H A 62 VAL HGx% 1.0 . 4.47 323 323 A 35 ILE H A 35 ILE HG2% 1.0 . 4.19 324 324 A 11 THR H A 10 VAL HGx% 1.0 . 3.20 325 325 A 36 THR HG1 A 20 ILE H 1.0 . 4.91 326 326 A 20 ILE H A 19 ILE HA 1.0 . 2.72 327 327 A 62 VAL H A 61 PRO HBy 1.0 . 4.34 328 328 A 20 ILE H A 20 ILE HB 1.0 . 3.15 329 329 A 20 ILE HG1y A 20 ILE H 1.0 . 3.38 330 330 A 20 ILE HG1x A 20 ILE H 1.0 . 3.85 331 331 A 20 ILE HG2% A 20 ILE H 1.0 . 4.27 332 332 A 20 ILE HD1% A 20 ILE H 1.0 . 4.49 333 333 A 19 ILE HD1% A 20 ILE H 1.0 . 4.48 334 334 A 70 VAL H A 69 ILE H 1.0 . 5.08 335 335 A 70 VAL H A 69 ILE HA 1.0 . 2.93 336 336 A 70 VAL H A 8 GLY HAy 1.0 . 4.27 337 337 A 70 VAL H A 8 GLY HAx 1.0 . 4.27 338 338 A 70 VAL HB A 70 VAL H 1.0 . 3.62 339 339 A 71 ASN HA A 70 VAL H 1.0 . 5.25 340 340 A 82 ASP HA A 83 GLU H 1.0 . 3.14 341 341 A 83 GLU H A 82 ASP HBy 1.0 . 4.53 342 342 A 83 GLU H A 82 ASP HBx 1.0 . 4.53 343 343 A 84 VAL HA A 85 VAL H 1.0 . 2.97 344 344 A 85 VAL H A 85 VAL HB 1.0 . 3.43 345 345 A 85 VAL H A 85 VAL HGx% 1.0 . 4.25 346 346 A 85 VAL H A 85 VAL HGy% 1.0 . 4.25 347 347 A 87 THR H A 87 THR HG2% 1.0 . 5.50 348 348 A 82 ASP HA A 84 VAL H 1.0 . 5.26 349 349 A 84 VAL H A 83 GLU HA 1.0 . 3.00 350 350 A 41 ASN HD2y A 39 ASP HBy 1.0 . 4.48 351 351 A 84 VAL H A 84 VAL HB 1.0 . 3.38 352 352 A 14 THR H A 16 GLY H 1.0 . 4.10 353 353 A 15 ASP H A 16 GLY H 1.0 . 3.15 354 354 A 14 THR HG1 A 16 GLY H 1.0 . 3.78 355 355 A 11 THR HB A 16 GLY H 1.0 . 5.05 356 356 A 41 ASN HD2y A 39 ASP HBx 1.0 . 4.48 357 357 A 14 THR HG2% A 16 GLY H 1.0 . 5.50 358 358 A 11 THR HG2% A 16 GLY H 1.0 . 5.41 359 359 A 63 THR H A 63 THR HG1 1.0 . 4.55 360 360 A 63 THR H A 62 VAL HA 1.0 . 2.52 361 361 A 62 VAL HB A 63 THR H 1.0 . 4.18 362 362 A 53 LYS HA A 63 THR H 1.0 . 5.30 363 363 A 54 ILE HB A 63 THR H 1.0 . 5.50 364 364 A 63 THR H A 62 VAL HGy% 1.0 . 5.20 365 365 A 81 VAL H A 80 MET H 1.0 . 4.62 366 366 A 81 VAL H A 80 MET HA 1.0 . 2.92 367 367 A 81 VAL H A 81 VAL HGx% 1.0 . 4.83 368 368 A 81 VAL H A 81 VAL HGy% 1.0 . 4.83 369 369 A 12 SER H A 17 GLN H 1.0 . 3.77 370 370 A 17 GLN H A 17 GLN HBy 1.0 . 3.63 371 371 A 17 GLN H A 17 GLN HBx 1.0 . 3.63 372 372 A 11 THR HG2% A 17 GLN H 1.0 . 4.16 373 373 A 15 ASP H A 17 GLN H 1.0 . 4.57 374 374 A 11 THR HB A 17 GLN H 1.0 . 4.59 375 375 A 53 LYS HBy A 26 GLU H 1.0 . 5.50 376 376 A 34 THR H A 24 VAL H 1.0 . 3.70 377 377 A 32 ASN H A 26 GLU H 1.0 . 5.25 378 378 A 55 THR H A 24 VAL H 1.0 . 5.13 379 379 A 26 GLU H A 29 ALA H 1.0 . 5.49 380 380 A 24 VAL H A 25 VAL HA 1.0 . 5.37 381 381 A 26 GLU H A 25 VAL HA 1.0 . 2.80 382 382 A 26 GLU H A 30 THR HA 1.0 . 4.96 383 383 A 33 GLY HAx A 26 GLU H 1.0 . 4.98 384 384 A 26 GLU H A 26 GLU HBy 1.0 . 3.63 385 385 A 26 GLU H A 26 GLU HGx 1.0 . 5.12 386 386 A 26 GLU H A 26 GLU HGy 1.0 . 5.12 387 387 A 25 VAL HB A 26 GLU H 1.0 . 3.24 388 388 A 26 GLU H A 26 GLU HBx 1.0 . 3.63 389 389 A 24 VAL H A 24 VAL HB 1.0 . 3.14 390 390 A 35 ILE HG2% A 24 VAL H 1.0 . 3.77 391 391 A 25 VAL HGy% A 26 GLU H 1.0 . 3.83 392 392 A 24 VAL H A 25 VAL HGx% 1.0 . 4.48 393 393 A 26 GLU H A 25 VAL HGx% 1.0 . 4.14 394 394 A 40 GLY HAx A 39 ASP H 1.0 . 4.87 395 395 A 20 ILE HG2% A 39 ASP H 1.0 . 5.44 396 396 A 20 ILE HD1% A 39 ASP H 1.0 . 5.50 397 397 A 37 ASP H A 39 ASP H 1.0 . 4.90 398 398 A 40 GLY H A 39 ASP H 1.0 . 2.97 399 399 A 38 PHE H A 39 ASP H 1.0 . 3.50 400 400 A 39 ASP H A 39 ASP HBy 1.0 . 3.68 401 401 A 39 ASP H A 39 ASP HBx 1.0 . 3.68 402 402 A 20 ILE HG1x A 39 ASP H 1.0 . 4.86 403 403 A 48 VAL H A 48 VAL HGx% 1.0 . 4.22 404 404 A 36 THR H A 22 ALA H 1.0 . 3.26 405 405 A 21 GLY H A 22 ALA H 1.0 . 3.08 406 406 A 36 THR HG1 A 22 ALA H 1.0 . 3.06 407 407 A 35 ILE HA A 22 ALA H 1.0 . 4.85 408 408 A 36 THR HA A 22 ALA H 1.0 . 4.90 409 409 A 20 ILE HA A 22 ALA H 1.0 . 4.08 410 410 A 35 ILE HB A 22 ALA H 1.0 . 4.89 411 411 A 36 THR HG2% A 22 ALA H 1.0 . 3.57 412 412 A 22 ALA HB% A 22 ALA H 1.0 . 2.93 413 413 A 6 THR H A 7 LYS H 1.0 . 4.62 414 414 A 7 LYS H A 6 THR HA 1.0 . 2.72 415 415 A 6 THR HG1 A 7 LYS H 1.0 . 4.63 416 416 A 6 THR HB A 7 LYS H 1.0 . 4.10 417 417 A 6 THR HG2% A 7 LYS H 1.0 . 3.32 418 418 A 71 ASN H A 9 ASN H 1.0 . 5.22 419 419 A 7 LYS H A 8 GLY H 1.0 . 4.79 420 420 A 10 VAL H A 9 ASN H 1.0 . 4.85 421 421 A 9 ASN H A 70 VAL H 1.0 . 4.07 422 422 A 9 ASN HD2y A 9 ASN H 1.0 . 4.81 423 423 A 9 ASN H A 8 GLY H 1.0 . 4.59 424 424 A 71 ASN HA A 9 ASN H 1.0 . 3.63 425 425 A 9 ASN H A 8 GLY HAy 1.0 . 3.56 426 426 A 9 ASN H A 8 GLY HAx 1.0 . 3.56 427 427 A 9 ASN H A 70 VAL HGx% 1.0 . 4.64 428 428 A 9 ASN H A 70 VAL HB 1.0 . 5.50 429 429 A 77 ASP HA A 78 THR H 1.0 . 3.42 430 430 A 78 THR H A 78 THR HG1 1.0 . 4.83 431 431 A 78 THR H A 78 THR HG2% 1.0 . 4.23 432 432 A 36 THR HG1 A 19 ILE H 1.0 . 5.32 433 433 A 11 THR HA A 19 ILE H 1.0 . 3.32 434 434 A 18 PRO HA A 19 ILE H 1.0 . 2.85 435 435 A 11 THR HB A 19 ILE H 1.0 . 5.41 436 436 A 18 PRO HBy A 19 ILE H 1.0 . 4.02 437 437 A 18 PRO HBx A 19 ILE H 1.0 . 4.08 438 438 A 19 ILE H A 19 ILE HB 1.0 . 3.10 439 439 A 10 VAL HGx% A 19 ILE H 1.0 . 4.13 440 440 A 19 ILE HD1% A 19 ILE H 1.0 . 4.49 441 441 A 12 SER H A 19 ILE H 1.0 . 4.69 442 442 A 10 VAL HB A 19 ILE H 1.0 . 4.26 443 443 A 40 GLY HAx A 21 GLY H 1.0 . 5.50 444 444 A 21 GLY H A 20 ILE H 1.0 . 4.56 445 445 A 21 GLY H A 36 THR HG1 1.0 . 3.43 446 446 A 21 GLY H A 37 ASP HA 1.0 . 4.97 447 447 A 21 GLY H A 20 ILE HA 1.0 . 2.91 448 448 A 21 GLY H A 20 ILE HB 1.0 . 4.33 449 449 A 21 GLY H A 20 ILE HG1x 1.0 . 5.25 450 450 A 21 GLY H A 36 THR HG2% 1.0 . 5.50 451 451 A 21 GLY H A 35 ILE HD1% 1.0 . 4.65 452 452 A 21 GLY H A 20 ILE HG2% 1.0 . 3.55 453 453 A 21 GLY H A 20 ILE HG1y 1.0 . 5.46 454 454 A 89 TYR HA A 90 THR H 1.0 . 2.81 455 455 A 90 THR H A 89 TYR HDy 1.0 . 4.55 456 456 A 90 THR H A 90 THR HG1 1.0 . 3.62 457 457 A 90 THR H A 89 TYR HDx 1.0 . 3.66 458 458 A 50 SER H A 49 ASN H 1.0 . 3.80 459 459 A 9 ASN HD2y A 41 ASN HA 1.0 . 4.32 460 460 A 9 ASN HD2y A 9 ASN HA 1.0 . 3.93 461 461 A 9 ASN HD2y A 40 GLY HAy 1.0 . 4.52 462 462 A 9 ASN HD2y A 40 GLY HAx 1.0 . 5.17 463 463 A 50 SER H A 48 VAL HA 1.0 . 5.27 464 464 A 9 ASN HD2y A 18 PRO HBy 1.0 . 5.32 465 465 A 50 SER H A 66 ALA HB% 1.0 . 4.09 466 466 A 9 ASN HD2y A 11 THR HG2% 1.0 . 4.74 467 467 A 70 VAL H A 8 GLY H 1.0 . 4.14 468 468 A 8 GLY H A 7 LYS HA 1.0 . 2.79 469 469 A 8 GLY H A 7 LYS HBx 1.0 . 4.73 470 470 A 8 GLY H A 7 LYS HBy 1.0 . 4.73 471 471 A 8 GLY H A 7 LYS HGx 1.0 . 5.50 472 472 A 8 GLY H A 7 LYS HGy 1.0 . 5.50 473 473 A 31 THR H A 31 THR HG2% 1.0 . 4.20 474 474 A 33 GLY H A 32 ASN HA 1.0 . 3.14 475 475 A 31 THR H A 31 THR HG1 1.0 . 2.45 476 476 A 33 GLY H A 32 ASN HBy 1.0 . 4.78 477 477 A 33 GLY H A 32 ASN HBx 1.0 . 4.78 478 478 A 27 THR H A 29 ALA H 1.0 . 4.88 479 479 A 30 THR H A 29 ALA H 1.0 . 4.87 480 480 A 27 THR HA A 29 ALA H 1.0 . 4.71 481 481 A 29 ALA H A 28 THR HG1 1.0 . 2.86 482 482 A 28 THR H A 28 THR HG1 1.0 . 2.72 483 483 A 28 THR H A 26 GLU HA 1.0 . 4.93 484 484 A 28 THR H A 26 GLU HGx 1.0 . 5.50 485 485 A 28 THR H A 26 GLU HGy 1.0 . 5.50 486 486 A 29 ALA HB% A 29 ALA H 1.0 . 3.19 487 487 A 28 THR H A 28 THR HG2% 1.0 . 3.88 488 488 A 9 ASN HD2y A 71 ASN HD2y 1.0 . 4.82 489 489 A 71 ASN HA A 71 ASN HD2y 1.0 . 4.93 490 490 A 71 ASN HBy A 71 ASN HD2y 1.0 . 3.20 491 491 A 71 ASN HD2y A 69 ILE HG2% 1.0 . 4.61 492 492 A 68 ALA HB% A 69 ILE H 1.0 . 2.95 493 493 A 68 ALA H A 69 ILE H 1.0 . 4.23 494 494 A 67 ALA H A 69 ILE H 1.0 . 5.50 495 495 A 69 ILE H A 69 ILE HB 1.0 . 3.11 496 496 A 15 ASP H A 14 THR HG1 1.0 . 2.48 497 497 A 15 ASP H A 14 THR HB 1.0 . 3.45 498 498 A 15 ASP H A 14 THR HG2% 1.0 . 4.27 499 499 A 38 PHE H A 37 ASP HA 1.0 . 3.25 500 500 A 38 PHE H A 20 ILE HG2% 1.0 . 4.18 501 501 A 38 PHE H A 38 PHE HDy 1.0 . 4.21 502 502 A 56 TYR H A 57 ILE H 1.0 . 4.74 503 503 A 56 TYR HDx A 57 ILE H 1.0 . 4.28 504 504 A 57 ILE H A 56 TYR HA 1.0 . 2.63 505 505 A 57 ILE H A 56 TYR HBy 1.0 . 4.56 506 506 A 57 ILE H A 56 TYR HBx 1.0 . 4.56 507 507 A 57 ILE HB A 57 ILE H 1.0 . 2.85 508 508 A 57 ILE H A 57 ILE HG1x 1.0 . 4.90 509 509 A 57 ILE H A 57 ILE HD1% 1.0 . 4.41 510 510 A 57 ILE HG2% A 57 ILE H 1.0 . 3.09 511 511 A 41 ASN HD2x A 39 ASP HBy 1.0 . 4.48 512 512 A 41 ASN HD2x A 39 ASP HBx 1.0 . 4.48 513 513 A 67 ALA H A 66 ALA HA 1.0 . 2.88 514 514 A 67 ALA HB% A 67 ALA H 1.0 . 3.48 515 515 A 9 ASN HD2y A 71 ASN HD2x 1.0 . 5.43 516 516 A 71 ASN HBy A 71 ASN HD2x 1.0 . 3.80 517 517 A 69 ILE HG2% A 71 ASN HD2x 1.0 . 3.59 518 518 A 9 ASN HD2x A 9 ASN HA 1.0 . 4.56 519 519 A 9 ASN HD2x A 18 PRO HBy 1.0 . 4.82 520 520 A 11 THR H A 9 ASN HD2x 1.0 . 5.50 521 521 A 9 ASN HD2x A 41 ASN H 1.0 . 5.50 522 522 A 9 ASN HD2x A 71 ASN HD2y 1.0 . 5.50 523 523 A 9 ASN HD2x A 41 ASN HA 1.0 . 5.26 524 524 A 9 ASN HD2x A 40 GLY HAy 1.0 . 4.56 525 525 A 9 ASN HD2x A 40 GLY HAx 1.0 . 5.27 526 526 A 27 THR H A 52 LEU HG 1.0 . 5.50 527 527 A 27 THR H A 27 THR HG1 1.0 . 5.50 528 528 A 74 LEU HG A 56 TYR H 1.0 . 5.50 529 529 A 33 GLY H A 31 THR HG1 1.0 . 5.50 530 530 A 33 GLY H A 34 THR HA 1.0 . 5.50 531 531 A 41 ASN HA A 9 ASN HA 1.0 . 3.67 532 532 A 35 ILE HA A 35 ILE HG2% 1.0 . 3.79 533 533 A 63 THR HA A 53 LYS HA 1.0 . 3.62 534 534 A 54 ILE HA A 54 ILE HG1x 1.0 . 4.03 535 535 A 24 VAL HA A 54 ILE HA 1.0 . 3.70 536 536 A 54 ILE HA A 54 ILE HG1y 1.0 . 4.03 537 537 A 54 ILE HG2% A 54 ILE HA 1.0 . 3.67 538 538 A 52 LEU HA A 52 LEU HG 1.0 . 3.44 539 539 A 74 LEU HA A 73 LEU HA 1.0 . 4.39 540 540 A 42 PHE HA A 36 THR HG2% 1.0 . 4.50 541 541 A 33 GLY HAx A 25 VAL HA 1.0 . 4.58 542 542 A 69 ILE HA A 69 ILE HG2% 1.0 . 3.68 543 543 A 55 THR HA A 61 PRO HA 1.0 . 4.37 544 544 A 44 LEU HG A 44 LEU HA 1.0 . 3.66 545 545 A 52 LEU HA A 26 GLU HA 1.0 . 4.12 546 546 A 56 TYR HDx A 22 ALA HA 1.0 . 3.78 547 547 A 11 THR H A 18 PRO HA 1.0 . 5.14 548 548 A 11 THR HA A 18 PRO HA 1.0 . 3.54 549 549 A 80 MET HA A 81 VAL HA 1.0 . 4.52 550 550 A 6 THR HG1 A 6 THR HA 1.0 . 4.08 551 551 A 38 PHE HA A 38 PHE HDx 1.0 . 4.89 552 552 A 87 THR HA A 87 THR HB 1.0 . 2.93 553 553 A 20 ILE HG1x A 38 PHE HA 1.0 . 3.79 554 554 A 20 ILE HG1y A 38 PHE HA 1.0 . 4.51 555 555 A 31 THR HG2% A 31 THR HA 1.0 . 3.62 556 556 A 40 GLY HAx A 36 THR HB 1.0 . 3.91 557 557 A 78 THR HG2% A 78 THR HA 1.0 . 3.68 558 558 A 51 THR HA A 65 LYS HA 1.0 . 3.73 559 559 A 25 VAL HB A 30 THR HA 1.0 . 3.83 560 560 A 14 THR H A 14 THR HB 1.0 . 3.98 561 561 A 60 LYS HA A 61 PRO HDy 1.0 . 3.29 562 562 A 13 LYS HA A 13 LYS HGy 1.0 . 4.25 563 563 A 63 THR H A 63 THR HB 1.0 . 3.82 564 564 A 19 ILE HD1% A 19 ILE HA 1.0 . 3.94 565 565 A 17 GLN HA A 18 PRO HDy 1.0 . 3.46 566 566 A 51 THR HB A 27 THR HA 1.0 . 5.50 567 567 A 20 ILE HA A 36 THR HG2% 1.0 . 4.87 568 568 A 36 THR HG1 A 20 ILE HA 1.0 . 3.95 569 569 A 20 ILE HA A 20 ILE HG2% 1.0 . 3.87 570 570 A 60 LYS HA A 61 PRO HDx 1.0 . 3.29 571 571 A 40 GLY HAx A 20 ILE HA 1.0 . 4.35 572 572 A 17 GLN HA A 18 PRO HDx 1.0 . 3.46 573 573 A 13 LYS HA A 14 THR HA 1.0 . 4.80 574 574 A 35 ILE HD1% A 21 GLY HAx 1.0 . 5.50 575 575 A 20 ILE HB A 21 GLY HAx 1.0 . 4.65 576 576 A 59 TYR HDx A 76 GLU HA 1.0 . 4.44 577 577 A 76 GLU HA A 59 TYR HA 1.0 . 3.50 578 578 A 48 VAL HA A 48 VAL HGx% 1.0 . 4.11 579 579 A 55 THR HG1 A 53 LYS HEy 1.0 . 4.80 580 580 A 42 PHE HBy A 37 ASP H 1.0 . 4.53 581 581 A 59 TYR HBx A 74 LEU HG 1.0 . 4.35 582 582 A 55 THR HG1 A 53 LYS HEx 1.0 . 4.80 583 583 A 42 PHE HBx A 36 THR HG2% 1.0 . 4.29 584 584 A 42 PHE HBx A 42 PHE HEx 1.0 . 5.06 585 585 A 42 PHE HBx A 43 THR HG2% 1.0 . 4.73 586 586 A 75 GLU H A 75 GLU HGx 1.0 . 5.17 587 587 A 75 GLU H A 75 GLU HGy 1.0 . 5.17 588 588 A 76 GLU H A 75 GLU HGx 1.0 . 5.48 589 589 A 76 GLU H A 75 GLU HGy 1.0 . 5.48 590 590 A 17 GLN H A 17 GLN HGx 1.0 . 4.90 591 591 A 17 GLN H A 17 GLN HGy 1.0 . 4.90 592 592 A 60 LYS HGx A 77 ASP HBx 1.0 . 5.44 593 593 A 60 LYS HGy A 77 ASP HBx 1.0 . 5.44 594 594 A 10 VAL HB A 11 THR HA 1.0 . 4.85 595 595 A 10 VAL HA A 72 VAL HB 1.0 . 4.44 596 596 A 10 VAL HGx% A 72 VAL HB 1.0 . 4.07 597 597 A 18 PRO HBy A 19 ILE HA 1.0 . 5.04 598 598 A 62 VAL H A 61 PRO HBx 1.0 . 4.34 599 599 A 65 LYS H A 65 LYS HBy 1.0 . 3.67 600 600 A 70 VAL HB A 67 ALA H 1.0 . 5.16 601 601 A 13 LYS HA A 13 LYS HDx 1.0 . 5.25 602 602 A 13 LYS HA A 13 LYS HDy 1.0 . 5.25 603 603 A 35 ILE HB A 21 GLY HAx 1.0 . 4.82 604 604 A 59 TYR HBx A 74 LEU HBy 1.0 . 4.48 605 605 A 59 TYR HDx A 74 LEU HBy 1.0 . 4.55 606 606 A 74 LEU HBy A 74 LEU HDx% 1.0 . 4.09 607 607 A 73 LEU HA A 73 LEU HG 1.0 . 4.17 608 608 A 74 LEU H A 73 LEU HG 1.0 . 5.45 609 609 A 74 LEU HG A 74 LEU H 1.0 . 5.23 610 610 A 68 ALA HB% A 69 ILE HD1% 1.0 . 4.31 611 611 A 53 LYS HBx A 27 THR HG2% 1.0 . 4.01 612 612 A 60 LYS H A 60 LYS HGx 1.0 . 4.29 613 613 A 60 LYS H A 60 LYS HGy 1.0 . 4.29 614 614 A 77 ASP HBy A 60 LYS HGx 1.0 . 5.44 615 615 A 77 ASP HBy A 60 LYS HGy 1.0 . 5.44 616 616 A 7 LYS H A 7 LYS HGx 1.0 . 5.03 617 617 A 7 LYS H A 7 LYS HGy 1.0 . 5.03 618 618 A 57 ILE HG2% A 57 ILE HG1y 1.0 . 4.13 619 619 A 57 ILE H A 57 ILE HG1y 1.0 . 4.90 620 620 A 67 ALA HB% A 69 ILE H 1.0 . 4.24 621 621 A 29 ALA HB% A 28 THR HG1 1.0 . 4.49 622 622 A 14 THR HG2% A 14 THR HG1 1.0 . 3.48 623 623 A 31 THR HG2% A 31 THR HG1 1.0 . 3.67 624 624 A 30 THR HG2% A 30 THR HA 1.0 . 3.20 625 625 A 30 THR HG1 A 30 THR HG2% 1.0 . 3.58 626 626 A 25 VAL HB A 30 THR HG2% 1.0 . 4.40 627 627 A 25 VAL HGy% A 30 THR HG2% 1.0 . 3.07 628 628 A 27 THR HA A 28 THR HG2% 1.0 . 4.99 629 629 A 28 THR HG1 A 28 THR HG2% 1.0 . 3.19 630 630 A 28 THR HG2% A 28 THR HA 1.0 . 2.93 631 631 A 67 ALA H A 66 ALA HB% 1.0 . 4.00 632 632 A 53 LYS HA A 53 LYS HGy 1.0 . 3.93 633 633 A 66 ALA HB% A 46 VAL HGx% 1.0 . 4.77 634 634 A 66 ALA HB% A 52 LEU HG 1.0 . 3.92 635 635 A 54 ILE H A 53 LYS HGy 1.0 . 4.29 636 636 A 65 LYS HA A 66 ALA HB% 1.0 . 4.53 637 637 A 53 LYS H A 27 THR HG2% 1.0 . 4.68 638 638 A 52 LEU HA A 27 THR HG2% 1.0 . 3.71 639 639 A 27 THR HG2% A 27 THR HG1 1.0 . 3.27 640 640 A 51 THR HB A 27 THR HG2% 1.0 . 3.84 641 641 A 27 THR HA A 27 THR HG2% 1.0 . 3.30 642 642 A 54 ILE H A 53 LYS HGx 1.0 . 4.29 643 643 A 34 THR HG2% A 42 PHE HDx 1.0 . 4.73 644 644 A 34 THR HG2% A 34 THR HA 1.0 . 3.51 645 645 A 34 THR HG2% A 42 PHE HBy 1.0 . 3.48 646 646 A 53 LYS HA A 53 LYS HGx 1.0 . 3.93 647 647 A 34 THR HG2% A 42 PHE HA 1.0 . 4.18 648 648 A 44 LEU HA A 44 LEU HDx% 1.0 . 4.43 649 649 A 34 THR HG2% A 42 PHE HBx 1.0 . 3.70 650 650 A 55 THR HG2% A 54 ILE HA 1.0 . 4.35 651 651 A 44 LEU HA A 44 LEU HDy% 1.0 . 4.43 652 652 A 24 VAL HA A 55 THR HG2% 1.0 . 5.42 653 653 A 78 THR HG2% A 78 THR HG1 1.0 . 3.16 654 654 A 56 TYR H A 55 THR HG2% 1.0 . 4.13 655 655 A 62 VAL H A 55 THR HG2% 1.0 . 4.35 656 656 A 55 THR HA A 55 THR HG2% 1.0 . 2.92 657 657 A 43 THR HA A 43 THR HG2% 1.0 . 3.37 658 658 A 43 THR HG1 A 43 THR HG2% 1.0 . 3.76 659 659 A 53 LYS HBy A 63 THR HG2% 1.0 . 4.41 660 660 A 51 THR HG2% A 51 THR HG1 1.0 . 3.96 661 661 A 51 THR HG2% A 66 ALA H 1.0 . 4.69 662 662 A 51 THR HA A 51 THR HG2% 1.0 . 2.95 663 663 A 65 LYS HA A 51 THR HG2% 1.0 . 3.17 664 664 A 63 THR HG2% A 63 THR HG1 1.0 . 3.58 665 665 A 63 THR H A 63 THR HG2% 1.0 . 4.14 666 666 A 63 THR HA A 63 THR HG2% 1.0 . 3.19 667 667 A 22 ALA HA A 36 THR HG2% 1.0 . 4.78 668 668 A 40 GLY HAx A 36 THR HG2% 1.0 . 4.40 669 669 A 36 THR HG1 A 36 THR HG2% 1.0 . 3.40 670 670 A 36 THR HG2% A 42 PHE HEy 1.0 . 3.13 671 671 A 35 ILE HA A 36 THR HG2% 1.0 . 4.23 672 672 A 36 THR HA A 36 THR HG2% 1.0 . 3.22 673 673 A 42 PHE HBy A 36 THR HG2% 1.0 . 3.63 674 674 A 36 THR HG2% A 35 ILE HB 1.0 . 5.00 675 675 A 9 ASN H A 70 VAL HGy% 1.0 . 4.64 676 676 A 59 TYR HDx A 74 LEU HBx 1.0 . 5.41 677 677 A 6 THR HG2% A 6 THR HA 1.0 . 3.38 678 678 A 74 LEU HBx A 74 LEU HDx% 1.0 . 3.75 679 679 A 63 THR H A 62 VAL HGx% 1.0 . 5.20 680 680 A 9 ASN HD2x A 11 THR HG2% 1.0 . 4.56 681 681 A 11 THR HA A 11 THR HG2% 1.0 . 3.09 682 682 A 18 PRO HA A 11 THR HG2% 1.0 . 3.34 683 683 A 90 THR HA A 90 THR HG2% 1.0 . 3.69 684 684 A 35 ILE HG2% A 21 GLY HAy 1.0 . 4.40 685 685 A 35 ILE HG2% A 21 GLY HAx 1.0 . 4.84 686 686 A 35 ILE H A 35 ILE HG1x 1.0 . 4.22 687 687 A 13 LYS HA A 13 LYS HGx 1.0 . 4.25 688 688 A 64 VAL H A 64 VAL HGy% 1.0 . 4.34 689 689 A 64 VAL HA A 64 VAL HGy% 1.0 . 4.20 690 690 A 64 VAL HA A 64 VAL HGx% 1.0 . 4.20 691 691 A 46 VAL H A 46 VAL HGy% 1.0 . 4.58 692 692 A 25 VAL HGy% A 25 VAL HA 1.0 . 4.24 693 693 A 25 VAL HGy% A 30 THR HA 1.0 . 4.24 694 694 A 53 LYS HBy A 25 VAL HGy% 1.0 . 3.72 695 695 A 66 ALA HB% A 46 VAL HGy% 1.0 . 4.77 696 696 A 70 VAL H A 69 ILE HG2% 1.0 . 4.23 697 697 A 69 ILE HG2% A 69 ILE HG1y 1.0 . 3.70 698 698 A 69 ILE HG2% A 69 ILE HG1x 1.0 . 3.70 699 699 A 33 GLY HAy A 44 LEU HG 1.0 . 4.94 700 700 A 34 THR HB A 44 LEU HG 1.0 . 3.90 701 701 A 66 ALA HB% A 52 LEU HDy% 1.0 . 3.90 702 702 A 24 VAL HA A 54 ILE HG2% 1.0 . 4.49 703 703 A 36 THR HG1 A 20 ILE HG2% 1.0 . 4.53 704 704 A 20 ILE HG2% A 38 PHE HA 1.0 . 3.80 705 705 A 20 ILE HD1% A 38 PHE HA 1.0 . 3.80 706 706 A 20 ILE HG2% A 21 GLY HAx 1.0 . 4.62 707 707 A 20 ILE HD1% A 20 ILE HB 1.0 . 3.87 708 708 A 48 VAL H A 48 VAL HGy% 1.0 . 4.22 709 709 A 48 VAL HA A 48 VAL HGy% 1.0 . 4.11 710 710 A 25 VAL HA A 25 VAL HGx% 1.0 . 4.07 711 711 A 62 VAL H A 62 VAL HGy% 1.0 . 4.47 712 712 A 74 LEU HA A 74 LEU HDx% 1.0 . 4.00 713 713 A 59 TYR HBx A 74 LEU HDx% 1.0 . 4.78 714 714 A 74 LEU HA A 74 LEU HDy% 1.0 . 4.00 715 715 A 59 TYR HBx A 74 LEU HDy% 1.0 . 4.78 716 716 A 74 LEU HBy A 74 LEU HDy% 1.0 . 4.09 717 717 A 74 LEU HBx A 74 LEU HDy% 1.0 . 3.75 718 718 A 57 ILE HG2% A 56 TYR HA 1.0 . 4.56 719 719 A 57 ILE HG2% A 57 ILE HG1x 1.0 . 4.13 720 720 A 24 VAL HA A 24 VAL HGy% 1.0 . 3.90 721 721 A 66 ALA HB% A 52 LEU HDx% 1.0 . 3.90 722 722 A 24 VAL HA A 24 VAL HG11 1.0 . 3.90 723 723 A 54 ILE HD1% A 54 ILE HG2% 1.0 . 4.06 724 724 A 19 ILE HD1% A 12 SER HA 1.0 . 5.50 725 725 A 19 ILE HD1% A 11 THR HA 1.0 . 5.50 726 726 A 19 ILE HD1% A 36 THR HG1 1.0 . 5.50 727 727 A 19 ILE HD1% A 74 LEU HBy 1.0 . 5.50 728 728 A 19 ILE HD1% A 10 VAL HB 1.0 . 5.50 729 729 A 35 ILE HD1% A 21 GLY HAy 1.0 . 5.50 730 730 A 35 ILE H A 35 ILE HD1% 1.0 . 5.50 731 731 A 10 VAL HGx% A 19 ILE HB 1.0 . 5.50 732 732 A 10 VAL HB A 19 ILE HB 1.0 . 5.50 733 733 A 7 LYS H A 7 LYS HBx 1.0 . 3.60 734 733 A 7 LYS H A 7 LYS HBy 1.0 . 3.60 735 734 A 7 LYS H A 7 LYS HGy 1.0 . 4.26 736 734 A 7 LYS H A 7 LYS HGx 1.0 . 4.26 737 735 A 7 LYS HA A 7 LYS HGy 1.0 . 3.72 738 735 A 7 LYS HA A 7 LYS HGx 1.0 . 3.72 739 736 A 8 GLY H A 7 LYS HBx 1.0 . 4.13 740 736 A 8 GLY H A 7 LYS HBy 1.0 . 4.13 741 737 A 7 LYS HDy A 7 LYS HGy 1.0 . 2.36 742 737 A 7 LYS HDx A 7 LYS HGy 1.0 . 2.36 743 737 A 7 LYS HGx A 7 LYS HDy 1.0 . 2.36 744 737 A 7 LYS HGx A 7 LYS HDx 1.0 . 2.36 745 738 A 7 LYS HEx A 7 LYS HGy 1.0 . 3.34 746 738 A 7 LYS HEy A 7 LYS HGy 1.0 . 3.34 747 738 A 7 LYS HGx A 7 LYS HEx 1.0 . 3.34 748 738 A 7 LYS HGx A 7 LYS HEy 1.0 . 3.34 749 739 A 8 GLY H A 7 LYS HGy 1.0 . 4.72 750 739 A 8 GLY H A 7 LYS HGx 1.0 . 4.72 751 740 A 8 GLY H A 70 VAL HGx% 1.0 . 4.96 752 740 A 8 GLY H A 70 VAL HGy% 1.0 . 4.96 753 741 A 9 ASN H A 8 GLY HAy 1.0 . 2.81 754 741 A 9 ASN H A 8 GLY HAx 1.0 . 2.81 755 742 A 10 VAL H A 8 GLY HAy 1.0 . 5.34 756 742 A 10 VAL H A 8 GLY HAx 1.0 . 5.34 757 743 A 70 VAL H A 8 GLY HAy 1.0 . 3.59 758 743 A 70 VAL H A 8 GLY HAx 1.0 . 3.59 759 744 A 9 ASN H A 9 ASN HBy 1.0 . 3.32 760 744 A 9 ASN H A 9 ASN HBx 1.0 . 3.32 761 745 A 9 ASN H A 70 VAL HGx% 1.0 . 4.00 762 745 A 9 ASN H A 70 VAL HGy% 1.0 . 4.00 763 746 A 10 VAL H A 9 ASN HBy 1.0 . 3.90 764 746 A 10 VAL H A 9 ASN HBx 1.0 . 3.90 765 747 A 11 THR HA A 12 SER HBx 1.0 . 4.13 766 747 A 11 THR HA A 12 SER HBy 1.0 . 4.13 767 748 A 11 THR HG2% A 12 SER HBx 1.0 . 5.28 768 748 A 11 THR HG2% A 12 SER HBy 1.0 . 5.28 769 749 A 11 THR HG2% A 16 GLY HAx 1.0 . 4.12 770 749 A 11 THR HG2% A 16 GLY HAy 1.0 . 4.12 771 750 A 12 SER H A 12 SER HBx 1.0 . 3.02 772 750 A 12 SER H A 12 SER HBy 1.0 . 3.02 773 751 A 12 SER H A 16 GLY HAx 1.0 . 4.40 774 751 A 12 SER H A 16 GLY HAy 1.0 . 4.40 775 752 A 12 SER H A 17 GLN HBy 1.0 . 4.83 776 752 A 12 SER H A 17 GLN HBx 1.0 . 4.83 777 753 A 12 SER H A 19 ILE HG1x 1.0 . 3.77 778 753 A 12 SER H A 19 ILE HG1y 1.0 . 3.77 779 754 A 14 THR H A 12 SER HBx 1.0 . 4.36 780 754 A 14 THR H A 12 SER HBy 1.0 . 4.36 781 755 A 15 ASP H A 12 SER HBx 1.0 . 4.14 782 755 A 15 ASP H A 12 SER HBy 1.0 . 4.14 783 756 A 16 GLY H A 12 SER HBx 1.0 . 3.78 784 756 A 16 GLY H A 12 SER HBy 1.0 . 3.78 785 757 A 17 GLN H A 12 SER HBx 1.0 . 3.51 786 757 A 17 GLN H A 12 SER HBy 1.0 . 3.51 787 758 A 13 LYS H A 13 LYS HBx 1.0 . 2.69 788 758 A 13 LYS H A 13 LYS HBy 1.0 . 2.69 789 759 A 13 LYS H A 73 LEU HBx 1.0 . 4.30 790 759 A 13 LYS H A 73 LEU HBy 1.0 . 4.30 791 760 A 13 LYS H A 73 LEU HDx% 1.0 . 4.53 792 760 A 13 LYS H A 73 LEU HDy% 1.0 . 4.53 793 761 A 13 LYS H A 74 LEU HDx% 1.0 . 5.14 794 761 A 13 LYS H A 74 LEU HDy% 1.0 . 5.14 795 762 A 13 LYS HA A 13 LYS HGy 1.0 . 3.66 796 762 A 13 LYS HA A 13 LYS HGx 1.0 . 3.66 797 763 A 13 LYS HA A 13 LYS HDy 1.0 . 4.50 798 763 A 13 LYS HA A 13 LYS HDx 1.0 . 4.50 799 764 A 13 LYS HA A 73 LEU HBx 1.0 . 4.01 800 764 A 13 LYS HA A 73 LEU HBy 1.0 . 4.01 801 765 A 13 LYS HA A 73 LEU HDx% 1.0 . 3.50 802 765 A 13 LYS HA A 73 LEU HDy% 1.0 . 3.50 803 766 A 13 LYS HBy A 13 LYS HEx 1.0 . 4.70 804 766 A 13 LYS HBx A 13 LYS HEx 1.0 . 4.70 805 766 A 13 LYS HEy A 13 LYS HBx 1.0 . 4.70 806 766 A 13 LYS HBy A 13 LYS HEy 1.0 . 4.70 807 767 A 14 THR H A 13 LYS HBx 1.0 . 3.70 808 767 A 14 THR H A 13 LYS HBy 1.0 . 3.70 809 768 A 74 LEU H A 13 LYS HBx 1.0 . 5.03 810 768 A 74 LEU H A 13 LYS HBy 1.0 . 5.03 811 769 A 73 LEU HA A 13 LYS HGy 1.0 . 5.33 812 769 A 73 LEU HA A 13 LYS HGx 1.0 . 5.33 813 770 A 13 LYS HGx A 73 LEU HBx 1.0 . 3.54 814 770 A 13 LYS HGy A 73 LEU HBx 1.0 . 3.54 815 770 A 73 LEU HBy A 13 LYS HGy 1.0 . 3.54 816 770 A 73 LEU HBy A 13 LYS HGx 1.0 . 3.54 817 771 A 75 GLU HA A 13 LYS HDy 1.0 . 4.18 818 771 A 75 GLU HA A 13 LYS HDx 1.0 . 4.18 819 772 A 13 LYS HDy A 75 GLU HGy 1.0 . 3.76 820 772 A 13 LYS HDx A 75 GLU HGy 1.0 . 3.76 821 772 A 75 GLU HGx A 13 LYS HDy 1.0 . 3.76 822 772 A 13 LYS HDx A 75 GLU HGx 1.0 . 3.76 823 773 A 17 GLN H A 15 ASP HBx 1.0 . 4.41 824 773 A 17 GLN H A 15 ASP HBy 1.0 . 4.41 825 774 A 16 GLY H A 16 GLY HAx 1.0 . 2.58 826 774 A 16 GLY H A 16 GLY HAy 1.0 . 2.58 827 775 A 16 GLY H A 17 GLN HBy 1.0 . 4.86 828 775 A 16 GLY H A 17 GLN HBx 1.0 . 4.86 829 776 A 17 GLN H A 17 GLN HBy 1.0 . 2.81 830 776 A 17 GLN H A 17 GLN HBx 1.0 . 2.81 831 777 A 17 GLN H A 17 GLN HGy 1.0 . 4.23 832 777 A 17 GLN H A 17 GLN HGx 1.0 . 4.23 833 778 A 17 GLN HA A 17 GLN HE2y 1.0 . 4.97 834 778 A 17 GLN HA A 17 GLN HE2x 1.0 . 4.97 835 779 A 17 GLN HA A 18 PRO HDx 1.0 . 2.96 836 779 A 17 GLN HA A 18 PRO HDy 1.0 . 2.96 837 780 A 17 GLN HBx A 17 GLN HE2y 1.0 . 4.10 838 780 A 17 GLN HBy A 17 GLN HE2y 1.0 . 4.10 839 780 A 17 GLN HE2x A 17 GLN HBy 1.0 . 4.10 840 780 A 17 GLN HBx A 17 GLN HE2x 1.0 . 4.10 841 781 A 19 ILE H A 19 ILE HG1x 1.0 . 3.22 842 781 A 19 ILE H A 19 ILE HG1y 1.0 . 3.22 843 782 A 19 ILE HA A 19 ILE HG1x 1.0 . 3.74 844 782 A 19 ILE HA A 19 ILE HG1y 1.0 . 3.74 845 783 A 19 ILE HD1% A 74 LEU HDx% 1.0 . 5.44 846 783 A 19 ILE HD1% A 74 LEU HDy% 1.0 . 5.44 847 784 A 22 ALA HA A 56 TYR HBx 1.0 . 4.19 848 784 A 22 ALA HA A 56 TYR HBy 1.0 . 4.19 849 785 A 22 ALA HB% A 24 VAL HG11 1.0 . 4.31 850 785 A 22 ALA HB% A 24 VAL HGy% 1.0 . 4.31 851 786 A 22 ALA HB% A 56 TYR HBx 1.0 . 4.16 852 786 A 22 ALA HB% A 56 TYR HBy 1.0 . 4.16 853 787 A 23 SER H A 23 SER HBx 1.0 . 3.12 854 787 A 23 SER H A 23 SER HBy 1.0 . 3.12 855 788 A 23 SER H A 24 VAL HG11 1.0 . 4.82 856 788 A 23 SER H A 24 VAL HGy% 1.0 . 4.82 857 789 A 23 SER H A 56 TYR HBx 1.0 . 4.60 858 789 A 23 SER H A 56 TYR HBy 1.0 . 4.60 859 790 A 24 VAL H A 23 SER HBx 1.0 . 4.21 860 790 A 24 VAL H A 23 SER HBy 1.0 . 4.21 861 791 A 24 VAL HA A 23 SER HBx 1.0 . 4.43 862 791 A 24 VAL HA A 23 SER HBy 1.0 . 4.43 863 792 A 25 VAL H A 23 SER HBx 1.0 . 5.30 864 792 A 25 VAL H A 23 SER HBy 1.0 . 5.30 865 793 A 55 THR H A 23 SER HBx 1.0 . 3.88 866 793 A 55 THR H A 23 SER HBy 1.0 . 3.88 867 794 A 55 THR HB A 23 SER HBx 1.0 . 4.55 868 794 A 55 THR HB A 23 SER HBy 1.0 . 4.55 869 795 A 24 VAL H A 24 VAL HG11 1.0 . 3.35 870 795 A 24 VAL H A 24 VAL HGy% 1.0 . 3.35 871 796 A 25 VAL H A 24 VAL HG11 1.0 . 3.42 872 796 A 25 VAL H A 24 VAL HGy% 1.0 . 3.42 873 797 A 25 VAL HGx% A 24 VAL HG11 1.0 . 4.43 874 797 A 25 VAL HGx% A 24 VAL HGy% 1.0 . 4.43 875 798 A 34 THR H A 24 VAL HG11 1.0 . 4.32 876 798 A 34 THR H A 24 VAL HGy% 1.0 . 4.32 877 799 A 36 THR H A 24 VAL HG11 1.0 . 4.22 878 799 A 36 THR H A 24 VAL HGy% 1.0 . 4.22 879 800 A 36 THR HG2% A 24 VAL HG11 1.0 . 3.23 880 800 A 36 THR HG2% A 24 VAL HGy% 1.0 . 3.23 881 801 A 53 LYS H A 24 VAL HG11 1.0 . 4.50 882 801 A 53 LYS H A 24 VAL HGy% 1.0 . 4.50 883 802 A 54 ILE HG2% A 24 VAL HG11 1.0 . 3.74 884 802 A 54 ILE HG2% A 24 VAL HGy% 1.0 . 3.74 885 803 A 24 VAL HG11 A 54 ILE HG1y 1.0 . 3.44 886 803 A 24 VAL HGy% A 54 ILE HG1y 1.0 . 3.44 887 803 A 54 ILE HG1x A 24 VAL HG11 1.0 . 3.44 888 803 A 24 VAL HGy% A 54 ILE HG1x 1.0 . 3.44 889 804 A 55 THR H A 24 VAL HG11 1.0 . 4.47 890 804 A 55 THR H A 24 VAL HGy% 1.0 . 4.47 891 805 A 25 VAL HGx% A 53 LYS HGy 1.0 . 4.82 892 805 A 25 VAL HGx% A 53 LYS HGx 1.0 . 4.82 893 806 A 26 GLU H A 26 GLU HBy 1.0 . 2.96 894 806 A 26 GLU H A 26 GLU HBx 1.0 . 2.96 895 807 A 26 GLU H A 26 GLU HGy 1.0 . 4.26 896 807 A 26 GLU H A 26 GLU HGx 1.0 . 4.26 897 808 A 26 GLU H A 32 ASN HBy 1.0 . 4.96 898 808 A 26 GLU H A 32 ASN HBx 1.0 . 4.96 899 809 A 26 GLU HA A 52 LEU HDx% 1.0 . 3.73 900 809 A 26 GLU HA A 52 LEU HDy% 1.0 . 3.73 901 810 A 27 THR HG2% A 26 GLU HBy 1.0 . 5.00 902 810 A 27 THR HG2% A 26 GLU HBx 1.0 . 5.00 903 811 A 29 ALA H A 26 GLU HBy 1.0 . 3.85 904 811 A 29 ALA H A 26 GLU HBx 1.0 . 3.85 905 812 A 29 ALA HB% A 26 GLU HBy 1.0 . 4.16 906 812 A 29 ALA HB% A 26 GLU HBx 1.0 . 4.16 907 813 A 27 THR H A 26 GLU HGy 1.0 . 4.56 908 813 A 27 THR H A 26 GLU HGx 1.0 . 4.56 909 814 A 28 THR H A 26 GLU HGy 1.0 . 4.82 910 814 A 28 THR H A 26 GLU HGx 1.0 . 4.82 911 815 A 29 ALA H A 26 GLU HGy 1.0 . 4.44 912 815 A 29 ALA H A 26 GLU HGx 1.0 . 4.44 913 816 A 27 THR H A 52 LEU HDx% 1.0 . 4.44 914 816 A 27 THR H A 52 LEU HDy% 1.0 . 4.44 915 817 A 29 ALA HB% A 32 ASN HD2y 1.0 . 5.17 916 817 A 29 ALA HB% A 32 ASN HD2x 1.0 . 5.17 917 818 A 33 GLY H A 32 ASN HBy 1.0 . 4.18 918 818 A 33 GLY H A 32 ASN HBx 1.0 . 4.18 919 819 A 32 ASN HD2x A 46 VAL HGx% 1.0 . 3.85 920 819 A 32 ASN HD2y A 46 VAL HGx% 1.0 . 3.85 921 819 A 46 VAL HGy% A 32 ASN HD2y 1.0 . 3.85 922 819 A 32 ASN HD2x A 46 VAL HGy% 1.0 . 3.85 923 820 A 34 THR H A 44 LEU HDx% 1.0 . 4.23 924 820 A 34 THR H A 44 LEU HDy% 1.0 . 4.23 925 821 A 34 THR HA A 35 ILE HG1y 1.0 . 4.07 926 821 A 34 THR HA A 35 ILE HG1x 1.0 . 4.07 927 822 A 35 ILE H A 35 ILE HG1y 1.0 . 3.64 928 822 A 35 ILE H A 35 ILE HG1x 1.0 . 3.64 929 823 A 37 ASP H A 37 ASP HBx 1.0 . 3.11 930 823 A 37 ASP H A 37 ASP HBy 1.0 . 3.11 931 824 A 38 PHE H A 37 ASP HBx 1.0 . 3.03 932 824 A 38 PHE H A 37 ASP HBy 1.0 . 3.03 933 825 A 40 GLY H A 37 ASP HBx 1.0 . 4.49 934 825 A 40 GLY H A 37 ASP HBy 1.0 . 4.49 935 826 A 41 ASN H A 37 ASP HBx 1.0 . 3.73 936 826 A 41 ASN H A 37 ASP HBy 1.0 . 3.73 937 827 A 39 ASP H A 38 PHE HBx 1.0 . 3.76 938 827 A 39 ASP H A 38 PHE HBy 1.0 . 3.76 939 828 A 39 ASP H A 39 ASP HBx 1.0 . 2.97 940 828 A 39 ASP H A 39 ASP HBy 1.0 . 2.97 941 829 A 39 ASP H A 41 ASN HD2x 1.0 . 5.08 942 829 A 41 ASN HD2y A 39 ASP H 1.0 . 5.08 943 830 A 40 GLY H A 39 ASP HBx 1.0 . 3.93 944 830 A 40 GLY H A 39 ASP HBy 1.0 . 3.93 945 831 A 41 ASN H A 39 ASP HBx 1.0 . 3.89 946 831 A 41 ASN H A 39 ASP HBy 1.0 . 3.89 947 832 A 41 ASN HD2y A 39 ASP HBx 1.0 . 3.16 948 832 A 41 ASN HD2x A 39 ASP HBx 1.0 . 3.16 949 832 A 41 ASN HD2y A 39 ASP HBy 1.0 . 3.16 950 832 A 41 ASN HD2x A 39 ASP HBy 1.0 . 3.16 951 833 A 41 ASN H A 41 ASN HD2x 1.0 . 4.57 952 833 A 41 ASN H A 41 ASN HD2y 1.0 . 4.57 953 834 A 41 ASN HD2y A 41 ASN HBx 1.0 . 3.12 954 834 A 41 ASN HD2x A 41 ASN HBx 1.0 . 3.12 955 834 A 41 ASN HD2x A 41 ASN HBy 1.0 . 3.12 956 834 A 41 ASN HD2y A 41 ASN HBy 1.0 . 3.12 957 835 A 42 PHE H A 41 ASN HBy 1.0 . 3.20 958 835 A 42 PHE H A 41 ASN HBx 1.0 . 3.20 959 836 A 42 PHE HDx A 44 LEU HDx% 1.0 . 5.04 960 836 A 42 PHE HDx A 44 LEU HDy% 1.0 . 5.04 961 837 A 44 LEU HA A 44 LEU HDx% 1.0 . 3.89 962 837 A 44 LEU HA A 44 LEU HDy% 1.0 . 3.89 963 838 A 44 LEU HBx A 44 LEU HDx% 1.0 . 2.46 964 838 A 44 LEU HBy A 44 LEU HDx% 1.0 . 2.46 965 838 A 44 LEU HDy% A 44 LEU HBx 1.0 . 2.46 966 838 A 44 LEU HDy% A 44 LEU HBy 1.0 . 2.46 967 839 A 44 LEU HBy A 52 LEU HDx% 1.0 . 4.42 968 839 A 44 LEU HBx A 52 LEU HDx% 1.0 . 4.42 969 839 A 52 LEU HDy% A 44 LEU HBx 1.0 . 4.42 970 839 A 52 LEU HDy% A 44 LEU HBy 1.0 . 4.42 971 840 A 44 LEU HDy% A 52 LEU HDx% 1.0 . 3.42 972 840 A 44 LEU HDx% A 52 LEU HDx% 1.0 . 3.42 973 840 A 52 LEU HDy% A 44 LEU HDx% 1.0 . 3.42 974 840 A 52 LEU HDy% A 44 LEU HDy% 1.0 . 3.42 975 841 A 45 SER H A 45 SER HBx 1.0 . 3.41 976 841 A 45 SER H A 45 SER HBy 1.0 . 3.41 977 842 A 46 VAL H A 45 SER HBx 1.0 . 4.44 978 842 A 46 VAL H A 45 SER HBy 1.0 . 4.44 979 843 A 46 VAL H A 46 VAL HGx% 1.0 . 3.32 980 843 A 46 VAL H A 46 VAL HGy% 1.0 . 3.32 981 844 A 46 VAL HA A 47 PRO HDx 1.0 . 3.58 982 844 A 46 VAL HA A 47 PRO HDy 1.0 . 3.58 983 845 A 46 VAL HB A 47 PRO HDx 1.0 . 4.00 984 845 A 47 PRO HDy A 46 VAL HB 1.0 . 4.00 985 846 A 50 SER H A 46 VAL HGx% 1.0 . 4.65 986 846 A 50 SER H A 46 VAL HGy% 1.0 . 4.65 987 847 A 66 ALA HB% A 46 VAL HGx% 1.0 . 3.40 988 847 A 66 ALA HB% A 46 VAL HGy% 1.0 . 3.40 989 848 A 48 VAL H A 47 PRO HGx 1.0 . 4.12 990 848 A 48 VAL H A 47 PRO HGy 1.0 . 4.12 991 849 A 49 ASN H A 48 VAL HGx% 1.0 . 4.32 992 849 A 49 ASN H A 48 VAL HGy% 1.0 . 4.32 993 850 A 49 ASN HBx A 49 ASN HD2x 1.0 . 2.96 994 850 A 49 ASN HBy A 49 ASN HD2x 1.0 . 2.96 995 850 A 49 ASN HD2y A 49 ASN HBx 1.0 . 2.96 996 850 A 49 ASN HBy A 49 ASN HD2y 1.0 . 2.96 997 851 A 50 SER H A 50 SER HBx 1.0 . 3.27 998 851 A 50 SER H A 50 SER HBy 1.0 . 3.27 999 852 A 50 SER H A 52 LEU HDx% 1.0 . 5.21 1000 852 A 50 SER H A 52 LEU HDy% 1.0 . 5.21 1001 853 A 51 THR H A 50 SER HBx 1.0 . 3.20 1002 853 A 51 THR H A 50 SER HBy 1.0 . 3.20 1003 854 A 52 LEU H A 64 VAL HGx% 1.0 . 4.08 1004 854 A 52 LEU H A 64 VAL HGy% 1.0 . 4.08 1005 855 A 52 LEU HA A 52 LEU HDx% 1.0 . 3.55 1006 855 A 52 LEU HA A 52 LEU HDy% 1.0 . 3.55 1007 856 A 52 LEU HBy A 64 VAL HGx% 1.0 . 3.81 1008 856 A 52 LEU HBy A 64 VAL HGy% 1.0 . 3.81 1009 857 A 53 LYS H A 52 LEU HDx% 1.0 . 4.43 1010 857 A 53 LYS H A 52 LEU HDy% 1.0 . 4.43 1011 858 A 66 ALA HA A 52 LEU HDx% 1.0 . 4.53 1012 858 A 66 ALA HA A 52 LEU HDy% 1.0 . 4.53 1013 859 A 66 ALA HB% A 52 LEU HDx% 1.0 . 3.42 1014 859 A 66 ALA HB% A 52 LEU HDy% 1.0 . 3.42 1015 860 A 67 ALA H A 52 LEU HDx% 1.0 . 4.57 1016 860 A 67 ALA H A 52 LEU HDy% 1.0 . 4.57 1017 861 A 53 LYS H A 53 LYS HGy 1.0 . 5.09 1018 861 A 53 LYS H A 53 LYS HGx 1.0 . 5.09 1019 862 A 53 LYS HA A 53 LYS HGy 1.0 . 3.44 1020 862 A 53 LYS HA A 53 LYS HGx 1.0 . 3.44 1021 863 A 63 THR HG2% A 53 LYS HDx 1.0 . 3.76 1022 863 A 63 THR HG2% A 53 LYS HDy 1.0 . 3.76 1023 864 A 55 THR HG2% A 53 LYS HEy 1.0 . 3.31 1024 864 A 55 THR HG2% A 53 LYS HEx 1.0 . 3.31 1025 865 A 55 THR HG1 A 53 LYS HEy 1.0 . 4.09 1026 865 A 55 THR HG1 A 53 LYS HEx 1.0 . 4.09 1027 866 A 63 THR HG2% A 53 LYS HEy 1.0 . 5.22 1028 866 A 63 THR HG2% A 53 LYS HEx 1.0 . 5.22 1029 867 A 54 ILE H A 54 ILE HG1y 1.0 . 3.88 1030 867 A 54 ILE H A 54 ILE HG1x 1.0 . 3.88 1031 868 A 54 ILE H A 62 VAL HGx% 1.0 . 3.47 1032 868 A 54 ILE H A 62 VAL HGy% 1.0 . 3.47 1033 869 A 54 ILE HA A 54 ILE HG1y 1.0 . 3.53 1034 869 A 54 ILE HA A 54 ILE HG1x 1.0 . 3.53 1035 870 A 54 ILE HB A 62 VAL HGx% 1.0 . 3.01 1036 870 A 54 ILE HB A 62 VAL HGy% 1.0 . 3.01 1037 871 A 55 THR H A 54 ILE HG1y 1.0 . 4.64 1038 871 A 55 THR H A 54 ILE HG1x 1.0 . 4.64 1039 872 A 54 ILE HG1y A 62 VAL HGx% 1.0 . 3.83 1040 872 A 54 ILE HG1x A 62 VAL HGx% 1.0 . 3.83 1041 872 A 62 VAL HGy% A 54 ILE HG1y 1.0 . 3.83 1042 872 A 54 ILE HG1x A 62 VAL HGy% 1.0 . 3.83 1043 873 A 54 ILE HD1% A 62 VAL HGx% 1.0 . 3.14 1044 873 A 54 ILE HD1% A 62 VAL HGy% 1.0 . 3.14 1045 874 A 55 THR HG2% A 61 PRO HBx 1.0 . 3.03 1046 874 A 55 THR HG2% A 61 PRO HBy 1.0 . 3.03 1047 875 A 55 THR HG2% A 61 PRO HGx 1.0 . 4.15 1048 875 A 55 THR HG2% A 61 PRO HGy 1.0 . 4.15 1049 876 A 56 TYR H A 56 TYR HBx 1.0 . 3.35 1050 876 A 56 TYR H A 56 TYR HBy 1.0 . 3.35 1051 877 A 56 TYR H A 74 LEU HDx% 1.0 . 4.24 1052 877 A 56 TYR H A 74 LEU HDy% 1.0 . 4.24 1053 878 A 57 ILE H A 56 TYR HBx 1.0 . 3.91 1054 878 A 57 ILE H A 56 TYR HBy 1.0 . 3.91 1055 879 A 59 TYR H A 56 TYR HBx 1.0 . 4.61 1056 879 A 59 TYR H A 56 TYR HBy 1.0 . 4.61 1057 880 A 59 TYR HDy A 56 TYR HBx 1.0 . 4.58 1058 880 A 59 TYR HDy A 56 TYR HBy 1.0 . 4.58 1059 881 A 56 TYR HBy A 74 LEU HDx% 1.0 . 3.84 1060 881 A 56 TYR HBx A 74 LEU HDx% 1.0 . 3.84 1061 881 A 74 LEU HDy% A 56 TYR HBx 1.0 . 3.84 1062 881 A 74 LEU HDy% A 56 TYR HBy 1.0 . 3.84 1063 882 A 56 TYR HDy A 74 LEU HDx% 1.0 . 4.83 1064 882 A 56 TYR HDy A 74 LEU HDy% 1.0 . 4.83 1065 883 A 57 ILE H A 57 ILE HG1y 1.0 . 4.27 1066 883 A 57 ILE H A 57 ILE HG1x 1.0 . 4.27 1067 884 A 58 GLY H A 57 ILE HG1y 1.0 . 3.81 1068 884 A 58 GLY H A 57 ILE HG1x 1.0 . 3.81 1069 885 A 59 TYR H A 74 LEU HDx% 1.0 . 4.19 1070 885 A 59 TYR H A 74 LEU HDy% 1.0 . 4.19 1071 886 A 59 TYR H A 77 ASP HBx 1.0 . 5.34 1072 886 A 59 TYR H A 77 ASP HBy 1.0 . 5.34 1073 887 A 59 TYR HBy A 74 LEU HDx% 1.0 . 4.49 1074 887 A 59 TYR HBy A 74 LEU HDy% 1.0 . 4.49 1075 888 A 59 TYR HBx A 74 LEU HDx% 1.0 . 3.81 1076 888 A 59 TYR HBx A 74 LEU HDy% 1.0 . 3.81 1077 889 A 60 LYS H A 60 LYS HBx 1.0 . 2.93 1078 889 A 60 LYS H A 60 LYS HBy 1.0 . 2.93 1079 890 A 60 LYS H A 60 LYS HGy 1.0 . 3.67 1080 890 A 60 LYS H A 60 LYS HGx 1.0 . 3.67 1081 891 A 60 LYS H A 61 PRO HDx 1.0 . 4.58 1082 891 A 60 LYS H A 61 PRO HDy 1.0 . 4.58 1083 892 A 60 LYS H A 74 LEU HDx% 1.0 . 4.60 1084 892 A 60 LYS H A 74 LEU HDy% 1.0 . 4.60 1085 893 A 60 LYS H A 75 GLU HGy 1.0 . 5.34 1086 893 A 60 LYS H A 75 GLU HGx 1.0 . 5.34 1087 894 A 60 LYS H A 77 ASP HBx 1.0 . 4.49 1088 894 A 60 LYS H A 77 ASP HBy 1.0 . 4.49 1089 895 A 60 LYS HA A 60 LYS HGy 1.0 . 3.43 1090 895 A 60 LYS HA A 60 LYS HGx 1.0 . 3.43 1091 896 A 60 LYS HBy A 60 LYS HEx 1.0 . 4.54 1092 896 A 60 LYS HBx A 60 LYS HEx 1.0 . 4.54 1093 896 A 60 LYS HEy A 60 LYS HBx 1.0 . 4.54 1094 896 A 60 LYS HBy A 60 LYS HEy 1.0 . 4.54 1095 897 A 60 LYS HBx A 61 PRO HDx 1.0 . 3.74 1096 897 A 60 LYS HBy A 61 PRO HDx 1.0 . 3.74 1097 897 A 61 PRO HDy A 60 LYS HBx 1.0 . 3.74 1098 897 A 60 LYS HBy A 61 PRO HDy 1.0 . 3.74 1099 898 A 60 LYS HGy A 61 PRO HDx 1.0 . 5.18 1100 898 A 60 LYS HGx A 61 PRO HDx 1.0 . 5.18 1101 898 A 61 PRO HDy A 60 LYS HGy 1.0 . 5.18 1102 898 A 60 LYS HGx A 61 PRO HDy 1.0 . 5.18 1103 899 A 60 LYS HGy A 77 ASP HBx 1.0 . 3.92 1104 899 A 60 LYS HGx A 77 ASP HBx 1.0 . 3.92 1105 899 A 77 ASP HBy A 60 LYS HGy 1.0 . 3.92 1106 899 A 77 ASP HBy A 60 LYS HGx 1.0 . 3.92 1107 900 A 60 LYS HDy A 61 PRO HDx 1.0 . 5.18 1108 900 A 61 PRO HDy A 60 LYS HDx 1.0 . 5.18 1109 900 A 61 PRO HDy A 60 LYS HDy 1.0 . 5.18 1110 900 A 60 LYS HDx A 61 PRO HDx 1.0 . 5.18 1111 901 A 77 ASP HA A 60 LYS HEx 1.0 . 4.06 1112 901 A 77 ASP HA A 60 LYS HEy 1.0 . 4.06 1113 902 A 62 VAL H A 61 PRO HBx 1.0 . 3.52 1114 902 A 62 VAL H A 61 PRO HBy 1.0 . 3.52 1115 903 A 62 VAL H A 62 VAL HGx% 1.0 . 3.78 1116 903 A 62 VAL H A 62 VAL HGy% 1.0 . 3.78 1117 904 A 63 THR H A 62 VAL HGx% 1.0 . 3.96 1118 904 A 63 THR H A 62 VAL HGy% 1.0 . 3.96 1119 905 A 63 THR HA A 62 VAL HGx% 1.0 . 4.44 1120 905 A 63 THR HA A 62 VAL HGy% 1.0 . 4.44 1121 906 A 64 VAL H A 62 VAL HGx% 1.0 . 4.96 1122 906 A 64 VAL H A 62 VAL HGy% 1.0 . 4.96 1123 907 A 64 VAL H A 64 VAL HGx% 1.0 . 2.93 1124 907 A 64 VAL H A 64 VAL HGy% 1.0 . 2.93 1125 908 A 65 LYS H A 64 VAL HGx% 1.0 . 3.82 1126 908 A 65 LYS H A 64 VAL HGy% 1.0 . 3.82 1127 909 A 65 LYS H A 65 LYS HBx 1.0 . 3.12 1128 909 A 65 LYS H A 65 LYS HBy 1.0 . 3.12 1129 910 A 65 LYS H A 65 LYS HGx 1.0 . 4.68 1130 910 A 65 LYS H A 65 LYS HGy 1.0 . 4.68 1131 911 A 65 LYS HBx A 65 LYS HEx 1.0 . 3.38 1132 911 A 65 LYS HBy A 65 LYS HEx 1.0 . 3.38 1133 911 A 65 LYS HEy A 65 LYS HBx 1.0 . 3.38 1134 911 A 65 LYS HBy A 65 LYS HEy 1.0 . 3.38 1135 912 A 66 ALA H A 65 LYS HBx 1.0 . 3.45 1136 912 A 66 ALA H A 65 LYS HBy 1.0 . 3.45 1137 913 A 67 ALA H A 70 VAL HGx% 1.0 . 4.31 1138 913 A 67 ALA H A 70 VAL HGy% 1.0 . 4.31 1139 914 A 67 ALA HB% A 70 VAL HGx% 1.0 . 4.27 1140 914 A 67 ALA HB% A 70 VAL HGy% 1.0 . 4.27 1141 915 A 68 ALA HB% A 69 ILE HG1y 1.0 . 3.97 1142 915 A 68 ALA HB% A 69 ILE HG1x 1.0 . 3.97 1143 916 A 69 ILE H A 69 ILE HG1y 1.0 . 4.14 1144 916 A 69 ILE H A 69 ILE HG1x 1.0 . 4.14 1145 917 A 70 VAL H A 70 VAL HGx% 1.0 . 4.26 1146 917 A 70 VAL H A 70 VAL HGy% 1.0 . 4.26 1147 918 A 71 ASN H A 70 VAL HGx% 1.0 . 3.63 1148 918 A 71 ASN H A 70 VAL HGy% 1.0 . 3.63 1149 919 A 71 ASN HA A 70 VAL HGx% 1.0 . 4.45 1150 919 A 71 ASN HA A 70 VAL HGy% 1.0 . 4.45 1151 920 A 72 VAL H A 70 VAL HGx% 1.0 . 4.14 1152 920 A 72 VAL H A 70 VAL HGy% 1.0 . 4.14 1153 921 A 73 LEU H A 72 VAL HGx% 1.0 . 3.00 1154 921 A 73 LEU H A 72 VAL HGy% 1.0 . 3.00 1155 922 A 73 LEU H A 73 LEU HBx 1.0 . 3.03 1156 922 A 73 LEU H A 73 LEU HBy 1.0 . 3.03 1157 923 A 73 LEU H A 73 LEU HDx% 1.0 . 4.27 1158 923 A 73 LEU H A 73 LEU HDy% 1.0 . 4.27 1159 924 A 73 LEU HA A 73 LEU HDx% 1.0 . 3.54 1160 924 A 73 LEU HA A 73 LEU HDy% 1.0 . 3.54 1161 925 A 74 LEU H A 73 LEU HBx 1.0 . 3.59 1162 925 A 74 LEU H A 73 LEU HBy 1.0 . 3.59 1163 926 A 74 LEU H A 74 LEU HDx% 1.0 . 4.45 1164 926 A 74 LEU H A 74 LEU HDy% 1.0 . 4.45 1165 927 A 74 LEU HA A 74 LEU HDx% 1.0 . 3.33 1166 927 A 74 LEU HA A 74 LEU HDy% 1.0 . 3.33 1167 928 A 75 GLU H A 74 LEU HDx% 1.0 . 3.63 1168 928 A 75 GLU H A 74 LEU HDy% 1.0 . 3.63 1169 929 A 75 GLU H A 75 GLU HBx 1.0 . 3.17 1170 929 A 75 GLU H A 75 GLU HBy 1.0 . 3.17 1171 930 A 75 GLU H A 75 GLU HGy 1.0 . 4.33 1172 930 A 75 GLU H A 75 GLU HGx 1.0 . 4.33 1173 931 A 76 GLU H A 75 GLU HGy 1.0 . 4.63 1174 931 A 76 GLU H A 75 GLU HGx 1.0 . 4.63 1175 932 A 76 GLU H A 76 GLU HBy 1.0 . 2.73 1176 932 A 76 GLU H A 76 GLU HBx 1.0 . 2.73 1177 933 A 76 GLU H A 76 GLU HGx 1.0 . 2.96 1178 933 A 76 GLU H A 76 GLU HGy 1.0 . 2.96 1179 934 A 77 ASP H A 76 GLU HBy 1.0 . 3.26 1180 934 A 77 ASP H A 76 GLU HBx 1.0 . 3.26 1181 935 A 77 ASP H A 77 ASP HBx 1.0 . 3.08 1182 935 A 77 ASP H A 77 ASP HBy 1.0 . 3.08 1183 936 A 79 GLN H A 79 GLN HBx 1.0 . 3.26 1184 936 A 79 GLN H A 79 GLN HBy 1.0 . 3.26 1185 937 A 79 GLN H A 79 GLN HGy 1.0 . 4.73 1186 937 A 79 GLN H A 79 GLN HGx 1.0 . 4.73 1187 938 A 81 VAL H A 80 MET HBx 1.0 . 4.48 1188 938 A 81 VAL H A 80 MET HBy 1.0 . 4.48 1189 939 A 81 VAL H A 80 MET HGx 1.0 . 4.88 1190 939 A 81 VAL H A 80 MET HGy 1.0 . 4.88 1191 940 A 81 VAL H A 81 VAL HGx% 1.0 . 4.21 1192 940 A 81 VAL H A 81 VAL HGy% 1.0 . 4.21 1193 941 A 82 ASP H A 81 VAL HGx% 1.0 . 4.14 1194 941 A 82 ASP H A 81 VAL HGy% 1.0 . 4.14 1195 942 A 82 ASP H A 82 ASP HBx 1.0 . 3.39 1196 942 A 82 ASP H A 82 ASP HBy 1.0 . 3.39 1197 943 A 83 GLU H A 83 GLU HBx 1.0 . 3.32 1198 943 A 83 GLU H A 83 GLU HBy 1.0 . 3.32 1199 944 A 83 GLU H A 84 VAL HGx% 1.0 . 4.49 1200 944 A 83 GLU H A 84 VAL HGy% 1.0 . 4.49 1201 945 A 84 VAL H A 84 VAL HGx% 1.0 . 3.55 1202 945 A 84 VAL H A 84 VAL HGy% 1.0 . 3.55 1203 946 A 84 VAL HA A 84 VAL HGx% 1.0 . 2.83 1204 946 A 84 VAL HA A 84 VAL HGy% 1.0 . 2.83 1205 947 A 85 VAL H A 85 VAL HGx% 1.0 . 3.72 1206 947 A 85 VAL H A 85 VAL HGy% 1.0 . 3.72 1207 948 A 86 VAL H A 85 VAL HGx% 1.0 . 3.95 1208 948 A 86 VAL H A 85 VAL HGy% 1.0 . 3.95 1209 949 A 86 VAL HA A 85 VAL HGx% 1.0 . 3.92 1210 949 A 85 VAL HGy% A 86 VAL HA 1.0 . 3.92 1211 950 A 87 THR H A 86 VAL HGx% 1.0 . 5.44 1212 950 A 87 THR H A 86 VAL HGy% 1.0 . 5.44 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type . 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 8 GLY C A 9 ASN N A 9 ASN CA A 9 ASN C 1.0 -158.2 -118.2 PHI 2 2 A 9 ASN N A 9 ASN CA A 9 ASN C A 10 VAL N 1.0 120.0 160.8 PSI 3 3 A 9 ASN C A 10 VAL N A 10 VAL CA A 10 VAL C 1.0 -123.2 -83.2 PHI 4 4 A 10 VAL N A 10 VAL CA A 10 VAL C A 11 THR N 1.0 106.9 146.9 PSI 5 5 A 10 VAL C A 11 THR N A 11 THR CA A 11 THR C 1.0 -153.1 -113.1 PHI 6 6 A 11 THR N A 11 THR CA A 11 THR C A 12 SER N 1.0 135.6 181.2 PSI 7 7 A 11 THR C A 12 SER N A 12 SER CA A 12 SER C 1.0 -122.2 -51.7 PHI 8 8 A 12 SER N A 12 SER CA A 12 SER C A 13 LYS N 1.0 94.0 163.7 PSI 9 9 A 13 LYS C A 14 THR N A 14 THR CA A 14 THR C 1.0 -92.7 -52.7 PHI 10 10 A 14 THR N A 14 THR CA A 14 THR C A 15 ASP N 1.0 -58.3 -10.9 PSI 11 11 A 14 THR C A 15 ASP N A 15 ASP CA A 15 ASP C 1.0 -148.8 -84.7 PHI 12 12 A 15 ASP N A 15 ASP CA A 15 ASP C A 16 GLY N 1.0 -25.4 31.8 PSI 13 13 A 15 ASP C A 16 GLY N A 16 GLY CA A 16 GLY C 1.0 61.4 105.1 PHI 14 14 A 16 GLY N A 16 GLY CA A 16 GLY C A 17 GLN N 1.0 -20.9 28.5 PSI 15 15 A 16 GLY C A 17 GLN N A 17 GLN CA A 17 GLN C 1.0 -100.8 -53.8 PHI 16 16 A 17 GLN N A 17 GLN CA A 17 GLN C A 18 PRO N 1.0 120.4 160.4 PSI 17 17 A 18 PRO C A 19 ILE N A 19 ILE CA A 19 ILE C 1.0 -128.4 -68.7 PHI 18 18 A 19 ILE N A 19 ILE CA A 19 ILE C A 20 ILE N 1.0 101.7 144.9 PSI 19 19 A 21 GLY C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -94.8 -50.3 PHI 20 20 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 SER N 1.0 112.9 170.4 PSI 21 21 A 22 ALA C A 23 SER N A 23 SER CA A 23 SER C 1.0 -105.5 -54.8 PHI 22 22 A 23 SER N A 23 SER CA A 23 SER C A 24 VAL N 1.0 107.6 161.5 PSI 23 23 A 23 SER C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -119.9 -66.2 PHI 24 24 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 VAL N 1.0 106.2 153.7 PSI 25 25 A 24 VAL C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -155.0 -115.0 PHI 26 26 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 GLU N 1.0 133.1 182.2 PSI 27 27 A 25 VAL C A 26 GLU N A 26 GLU CA A 26 GLU C 1.0 -92.4 -52.4 PHI 28 28 A 26 GLU N A 26 GLU CA A 26 GLU C A 27 THR N 1.0 94.3 174.1 PSI 29 29 A 26 GLU C A 27 THR N A 27 THR CA A 27 THR C 1.0 -82.3 -42.3 PHI 30 30 A 27 THR N A 27 THR CA A 27 THR C A 28 THR N 1.0 -41.9 -1.9 PSI 31 31 A 27 THR C A 28 THR N A 28 THR CA A 28 THR C 1.0 -112.3 -72.3 PHI 32 32 A 28 THR N A 28 THR CA A 28 THR C A 29 ALA N 1.0 -20.7 27.6 PSI 33 33 A 29 ALA C A 30 THR N A 30 THR CA A 30 THR C 1.0 -86.6 -46.6 PHI 34 34 A 30 THR N A 30 THR CA A 30 THR C A 31 THR N 1.0 -44.4 -4.4 PSI 35 35 A 30 THR C A 31 THR N A 31 THR CA A 31 THR C 1.0 -119.0 -51.3 PHI 36 36 A 31 THR N A 31 THR CA A 31 THR C A 32 ASN N 1.0 -66.4 73.6 PSI 37 37 A 31 THR C A 32 ASN N A 32 ASN CA A 32 ASN C 1.0 -128.4 -88.4 PHI 38 38 A 32 ASN N A 32 ASN CA A 32 ASN C A 33 GLY N 1.0 -9.8 30.2 PSI 39 39 A 33 GLY C A 34 THR N A 34 THR CA A 34 THR C 1.0 -135.5 -75.1 PHI 40 40 A 34 THR N A 34 THR CA A 34 THR C A 35 ILE N 1.0 106.4 168.8 PSI 41 41 A 34 THR C A 35 ILE N A 35 ILE CA A 35 ILE C 1.0 -147.6 -107.6 PHI 42 42 A 35 ILE N A 35 ILE CA A 35 ILE C A 36 THR N 1.0 135.3 175.3 PSI 43 43 A 35 ILE C A 36 THR N A 36 THR CA A 36 THR C 1.0 -139.8 -70.0 PHI 44 44 A 36 THR N A 36 THR CA A 36 THR C A 37 ASP N 1.0 110.6 150.6 PSI 45 45 A 36 THR C A 37 ASP N A 37 ASP CA A 37 ASP C 1.0 -103.3 -63.3 PHI 46 46 A 37 ASP N A 37 ASP CA A 37 ASP C A 38 PHE N 1.0 -198.6 -158.6 PSI 47 47 A 37 ASP C A 38 PHE N A 38 PHE CA A 38 PHE C 1.0 -91.2 -51.2 PHI 48 48 A 38 PHE N A 38 PHE CA A 38 PHE C A 39 ASP N 1.0 -29.9 10.1 PSI 49 49 A 38 PHE C A 39 ASP N A 39 ASP CA A 39 ASP C 1.0 -113.9 -73.9 PHI 50 50 A 39 ASP N A 39 ASP CA A 39 ASP C A 40 GLY N 1.0 -18.2 21.8 PSI 51 51 A 39 ASP C A 40 GLY N A 40 GLY CA A 40 GLY C 1.0 64.6 104.6 PHI 52 52 A 40 GLY N A 40 GLY CA A 40 GLY C A 41 ASN N 1.0 -12.4 27.6 PSI 53 53 A 41 ASN C A 42 PHE N A 42 PHE CA A 42 PHE C 1.0 -153.0 -91.0 PHI 54 54 A 42 PHE N A 42 PHE CA A 42 PHE C A 43 THR N 1.0 118.8 167.9 PSI 55 55 A 42 PHE C A 43 THR N A 43 THR CA A 43 THR C 1.0 -151.3 -91.6 PHI 56 56 A 43 THR N A 43 THR CA A 43 THR C A 44 LEU N 1.0 116.3 158.6 PSI 57 57 A 43 THR C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -148.2 -108.2 PHI 58 58 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 SER N 1.0 107.3 158.0 PSI 59 59 A 44 LEU C A 45 SER N A 45 SER CA A 45 SER C 1.0 -106.9 -63.6 PHI 60 60 A 45 SER N A 45 SER CA A 45 SER C A 46 VAL N 1.0 108.2 148.2 PSI 61 61 A 45 SER C A 46 VAL N A 46 VAL CA A 46 VAL C 1.0 -139.8 -99.6 PHI 62 62 A 46 VAL N A 46 VAL CA A 46 VAL C A 47 PRO N 1.0 107.8 163.2 PSI 63 63 A 50 SER C A 51 THR N A 51 THR CA A 51 THR C 1.0 -151.6 -87.8 PHI 64 64 A 51 THR N A 51 THR CA A 51 THR C A 52 LEU N 1.0 115.6 176.7 PSI 65 65 A 51 THR C A 52 LEU N A 52 LEU CA A 52 LEU C 1.0 -135.0 -92.9 PHI 66 66 A 52 LEU N A 52 LEU CA A 52 LEU C A 53 LYS N 1.0 111.5 151.5 PSI 67 67 A 52 LEU C A 53 LYS N A 53 LYS CA A 53 LYS C 1.0 -130.3 -79.6 PHI 68 68 A 53 LYS N A 53 LYS CA A 53 LYS C A 54 ILE N 1.0 104.1 144.1 PSI 69 69 A 53 LYS C A 54 ILE N A 54 ILE CA A 54 ILE C 1.0 -123.6 -83.6 PHI 70 70 A 54 ILE N A 54 ILE CA A 54 ILE C A 55 THR N 1.0 107.3 147.3 PSI 71 71 A 54 ILE C A 55 THR N A 55 THR CA A 55 THR C 1.0 -153.6 -113.6 PHI 72 72 A 55 THR N A 55 THR CA A 55 THR C A 56 TYR N 1.0 138.7 178.7 PSI 73 73 A 55 THR C A 56 TYR N A 56 TYR CA A 56 TYR C 1.0 -139.2 -43.2 PHI 74 74 A 56 TYR N A 56 TYR CA A 56 TYR C A 57 ILE N 1.0 109.3 155.0 PSI 75 75 A 56 TYR C A 57 ILE N A 57 ILE CA A 57 ILE C 1.0 -93.7 -46.3 PHI 76 76 A 57 ILE N A 57 ILE CA A 57 ILE C A 58 GLY N 1.0 107.9 155.2 PSI 77 77 A 58 GLY C A 59 TYR N A 59 TYR CA A 59 TYR C 1.0 -160.1 -63.2 PHI 78 78 A 59 TYR N A 59 TYR CA A 59 TYR C A 60 LYS N 1.0 117.6 169.8 PSI 79 79 A 59 TYR C A 60 LYS N A 60 LYS CA A 60 LYS C 1.0 -83.9 -43.9 PHI 80 80 A 60 LYS N A 60 LYS CA A 60 LYS C A 61 PRO N 1.0 117.3 157.3 PSI 81 81 A 61 PRO C A 62 VAL N A 62 VAL CA A 62 VAL C 1.0 -151.4 -95.6 PHI 82 82 A 62 VAL N A 62 VAL CA A 62 VAL C A 63 THR N 1.0 111.8 173.2 PSI 83 83 A 62 VAL C A 63 THR N A 63 THR CA A 63 THR C 1.0 -131.9 -63.8 PHI 84 84 A 63 THR N A 63 THR CA A 63 THR C A 64 VAL N 1.0 107.9 150.6 PSI 85 85 A 63 THR C A 64 VAL N A 64 VAL CA A 64 VAL C 1.0 -156.2 -101.0 PHI 86 86 A 64 VAL N A 64 VAL CA A 64 VAL C A 65 LYS N 1.0 123.8 178.3 PSI 87 87 A 64 VAL C A 65 LYS N A 65 LYS CA A 65 LYS C 1.0 -89.4 -49.4 PHI 88 88 A 65 LYS N A 65 LYS CA A 65 LYS C A 66 ALA N 1.0 113.1 157.3 PSI 89 89 A 66 ALA C A 67 ALA N A 67 ALA CA A 67 ALA C 1.0 -164.7 -42.9 PHI 90 90 A 67 ALA N A 67 ALA CA A 67 ALA C A 68 ALA N 1.0 120.6 193.7 PSI 91 91 A 67 ALA C A 68 ALA N A 68 ALA CA A 68 ALA C 1.0 -88.1 -48.1 PHI 92 92 A 68 ALA N A 68 ALA CA A 68 ALA C A 69 ILE N 1.0 -57.9 -17.9 PSI 93 93 A 68 ALA C A 69 ILE N A 69 ILE CA A 69 ILE C 1.0 -147.7 -97.1 PHI 94 94 A 69 ILE N A 69 ILE CA A 69 ILE C A 70 VAL N 1.0 111.7 156.1 PSI 95 95 A 69 ILE C A 70 VAL N A 70 VAL CA A 70 VAL C 1.0 -146.4 -89.5 PHI 96 96 A 70 VAL N A 70 VAL CA A 70 VAL C A 71 ASN N 1.0 106.6 146.6 PSI 97 97 A 70 VAL C A 71 ASN N A 71 ASN CA A 71 ASN C 1.0 -119.8 -72.6 PHI 98 98 A 71 ASN N A 71 ASN CA A 71 ASN C A 72 VAL N 1.0 109.4 149.4 PSI 99 99 A 71 ASN C A 72 VAL N A 72 VAL CA A 72 VAL C 1.0 -139.3 -99.2 PHI 100 100 A 72 VAL N A 72 VAL CA A 72 VAL C A 73 LEU N 1.0 108.9 148.9 PSI 101 101 A 72 VAL C A 73 LEU N A 73 LEU CA A 73 LEU C 1.0 -127.3 -84.2 PHI 102 102 A 73 LEU N A 73 LEU CA A 73 LEU C A 74 LEU N 1.0 105.2 145.2 PSI 103 103 A 73 LEU C A 74 LEU N A 74 LEU CA A 74 LEU C 1.0 -127.9 -87.9 PHI 104 104 A 74 LEU N A 74 LEU CA A 74 LEU C A 75 GLU N 1.0 102.5 142.5 PSI 105 105 A 74 LEU C A 75 GLU N A 75 GLU CA A 75 GLU C 1.0 -144.3 -90.5 PHI 106 106 A 75 GLU N A 75 GLU CA A 75 GLU C A 76 GLU N 1.0 113.6 153.6 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 16 . folded . . 2 ppm . . 40 . folded . . 3 ppm . . 16 . folded . . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 16 . folded . . 2 ppm . . 60 . folded . . 3 ppm . . 16 . folded . . stop_ save_