data_nef_c25718_2n5j save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 25719 BMRB 25720 PDB 2N5J 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 41 GLY start . false 2 A 42 PRO middle . false 3 A 43 HIS middle . . 4 A 44 MET middle . . 5 A 45 THR middle . . 6 A 46 SER middle . . 7 A 47 GLU middle . . 8 A 48 LEU middle . . 9 A 49 GLN middle . . 10 A 50 MET middle . . 11 A 51 LYS middle . . 12 A 52 VAL middle . . 13 A 53 ASP middle . . 14 A 54 PHE middle . . 15 A 55 PHE middle . . 16 A 56 ARG middle . . 17 A 57 LYS middle . . 18 A 58 LEU middle . . 19 A 59 GLY middle . false 20 A 60 TYR middle . . 21 A 61 SER middle . . 22 A 62 SER middle . . 23 A 63 SER middle . . 24 A 64 GLU middle . . 25 A 65 ILE middle . . 26 A 66 HIS middle . . 27 A 67 SER middle . . 28 A 68 VAL middle . . 29 A 69 LEU middle . . 30 A 70 GLN middle . . 31 A 71 LYS middle . . 32 A 72 LEU middle . . 33 A 73 GLY middle . false 34 A 74 VAL middle . . 35 A 75 GLN middle . . 36 A 76 ALA middle . . 37 A 77 ASP middle . . 38 A 78 THR middle . . 39 A 79 ASN middle . . 40 A 80 THR middle . . 41 A 81 VAL middle . . 42 A 82 LEU middle . . 43 A 83 GLY middle . false 44 A 84 GLU middle . . 45 A 85 LEU middle . . 46 A 86 VAL middle . . 47 A 87 LYS middle . . 48 A 88 HIS middle . . 49 A 89 GLY end . false 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 43 HIS HA H 1 4.637 0.001 A 43 HIS HBx H 1 3.131 0.001 A 43 HIS HBy H 1 3.131 0.001 A 43 HIS C C 13 175.296 0.01 A 43 HIS CA C 13 56.308 0.01 A 43 HIS CB C 13 30.643 0.01 A 44 MET H H 1 8.372 0.001 A 44 MET HA H 1 4.584 0.001 A 44 MET HBx H 1 2.055 0.001 A 44 MET HBy H 1 2.055 0.001 A 44 MET HGx H 1 2.571 0.001 A 44 MET HGy H 1 2.571 0.001 A 44 MET C C 13 176.153 0.01 A 44 MET CA C 13 55.469 0.01 A 44 MET CB C 13 33.180 0.01 A 44 MET CG C 13 31.937 0.01 A 44 MET N N 15 122.574 0.03 A 45 THR H H 1 8.023 0.001 A 45 THR HA H 1 4.401 0.001 A 45 THR HB H 1 4.414 0.001 A 45 THR HG2% H 1 1.301 0.001 A 45 THR C C 13 174.919 0.01 A 45 THR CA C 13 61.834 0.01 A 45 THR CB C 13 70.096 0.01 A 45 THR CG2 C 13 21.910 0.01 A 45 THR N N 15 115.263 0.03 A 46 SER H H 1 8.650 0.001 A 46 SER HA H 1 4.384 0.001 A 46 SER HBy H 1 4.090 0.001 A 46 SER HBx H 1 3.986 0.001 A 46 SER C C 13 175.677 0.01 A 46 SER CA C 13 59.792 0.01 A 46 SER CB C 13 63.585 0.01 A 46 SER N N 15 118.274 0.03 A 47 GLU H H 1 8.679 0.001 A 47 GLU HA H 1 4.084 0.001 A 47 GLU HBy H 1 2.043 0.001 A 47 GLU HBx H 1 1.962 0.001 A 47 GLU HGx H 1 2.300 0.001 A 47 GLU HGy H 1 2.300 0.001 A 47 GLU C C 13 178.669 0.01 A 47 GLU CA C 13 59.579 0.01 A 47 GLU CB C 13 29.625 0.01 A 47 GLU CG C 13 36.597 0.01 A 47 GLU N N 15 122.421 0.03 A 48 LEU H H 1 8.044 0.001 A 48 LEU HA H 1 4.096 0.001 A 48 LEU HBy H 1 1.821 0.001 A 48 LEU HBx H 1 1.683 0.001 A 48 LEU HDx% H 1 0.977 0.001 A 48 LEU HDy% H 1 0.965 0.001 A 48 LEU HG H 1 1.612 0.001 A 48 LEU C C 13 178.047 0.01 A 48 LEU CA C 13 58.015 0.01 A 48 LEU CB C 13 41.619 0.01 A 48 LEU CDy C 13 25.654 0.01 A 48 LEU CDx C 13 24.090 0.01 A 48 LEU CG C 13 27.349 0.01 A 48 LEU N N 15 120.752 0.03 A 49 GLN H H 1 8.210 0.001 A 49 GLN HA H 1 3.883 0.001 A 49 GLN HBx H 1 2.153 0.001 A 49 GLN HBy H 1 2.153 0.001 A 49 GLN HE2y H 1 7.758 0.001 A 49 GLN HE2x H 1 6.835 0.001 A 49 GLN HGx H 1 2.431 0.001 A 49 GLN HGy H 1 2.431 0.001 A 49 GLN C C 13 178.154 0.01 A 49 GLN CA C 13 58.823 0.01 A 49 GLN CB C 13 28.455 0.01 A 49 GLN CD C 13 180.174 0.01 A 49 GLN CG C 13 33.723 0.01 A 49 GLN N N 15 118.553 0.03 A 49 GLN NE2 N 15 113.963 0.03 A 50 MET H H 1 8.105 0.001 A 50 MET HA H 1 4.249 0.001 A 50 MET HBy H 1 2.216 0.001 A 50 MET HBx H 1 2.124 0.001 A 50 MET HE% H 1 2.059 0.001 A 50 MET HGy H 1 2.773 0.001 A 50 MET HGx H 1 2.620 0.001 A 50 MET C C 13 179.134 0.01 A 50 MET CA C 13 58.865 0.01 A 50 MET CB C 13 32.662 0.01 A 50 MET CE C 13 16.965 0.01 A 50 MET CG C 13 32.224 0.01 A 50 MET N N 15 117.143 0.03 A 51 LYS H H 1 7.810 0.001 A 51 LYS HA H 1 4.154 0.001 A 51 LYS HBy H 1 2.128 0.001 A 51 LYS HBx H 1 1.984 0.001 A 51 LYS HDx H 1 1.746 0.001 A 51 LYS HDy H 1 1.746 0.001 A 51 LYS HEx H 1 2.967 0.001 A 51 LYS HEy H 1 2.967 0.001 A 51 LYS HGy H 1 1.741 0.001 A 51 LYS HGx H 1 1.546 0.001 A 51 LYS C C 13 178.044 0.01 A 51 LYS CA C 13 59.337 0.01 A 51 LYS CB C 13 32.872 0.01 A 51 LYS CD C 13 29.677 0.01 A 51 LYS CE C 13 42.215 0.01 A 51 LYS CG C 13 25.662 0.01 A 51 LYS N N 15 121.231 0.03 A 52 VAL H H 1 8.524 0.001 A 52 VAL HA H 1 3.711 0.001 A 52 VAL HB H 1 2.232 0.001 A 52 VAL HGx% H 1 0.864 0.001 A 52 VAL HGy% H 1 0.994 0.001 A 52 VAL C C 13 178.245 0.01 A 52 VAL CA C 13 67.398 0.01 A 52 VAL CB C 13 31.583 0.01 A 52 VAL CGy C 13 22.638 0.01 A 52 VAL CGx C 13 21.238 0.01 A 52 VAL N N 15 119.406 0.03 A 53 ASP H H 1 8.542 0.001 A 53 ASP HA H 1 4.385 0.001 A 53 ASP HBy H 1 2.856 0.001 A 53 ASP HBx H 1 2.669 0.001 A 53 ASP C C 13 178.213 0.01 A 53 ASP CA C 13 57.792 0.01 A 53 ASP CB C 13 40.634 0.01 A 53 ASP N N 15 118.954 0.03 A 54 PHE H H 1 7.812 0.001 A 54 PHE HA H 1 4.076 0.001 A 54 PHE HBx H 1 3.115 0.001 A 54 PHE HBy H 1 3.115 0.001 A 54 PHE HDx H 1 6.337 0.001 A 54 PHE HDy H 1 6.337 0.001 A 54 PHE HEx H 1 6.995 0.001 A 54 PHE HEy H 1 6.995 0.001 A 54 PHE HZ H 1 7.171 0.001 A 54 PHE C C 13 177.303 0.01 A 54 PHE CA C 13 61.491 0.01 A 54 PHE CB C 13 38.906 0.01 A 54 PHE CDx C 13 131.454 0.01 A 54 PHE CDy C 13 131.454 0.01 A 54 PHE CEx C 13 131.578 0.01 A 54 PHE CEy C 13 131.578 0.01 A 54 PHE CZ C 13 129.776 0.01 A 54 PHE N N 15 120.446 0.03 A 55 PHE H H 1 7.871 0.001 A 55 PHE HA H 1 4.260 0.001 A 55 PHE HBy H 1 3.015 0.001 A 55 PHE HBx H 1 2.968 0.001 A 55 PHE HDx H 1 7.350 0.001 A 55 PHE HDy H 1 7.350 0.001 A 55 PHE HEx H 1 7.259 0.001 A 55 PHE HEy H 1 7.259 0.001 A 55 PHE HZ H 1 7.520 0.001 A 55 PHE C C 13 179.029 0.01 A 55 PHE CA C 13 62.113 0.01 A 55 PHE CB C 13 39.567 0.01 A 55 PHE CDx C 13 132.285 0.01 A 55 PHE CDy C 13 132.285 0.01 A 55 PHE CEx C 13 129.857 0.01 A 55 PHE CEy C 13 129.857 0.01 A 55 PHE CZ C 13 130.118 0.01 A 55 PHE N N 15 115.519 0.03 A 56 ARG H H 1 9.002 0.001 A 56 ARG HA H 1 4.631 0.001 A 56 ARG HBy H 1 2.047 0.001 A 56 ARG HBx H 1 1.965 0.001 A 56 ARG HDy H 1 3.423 0.001 A 56 ARG HDx H 1 3.216 0.001 A 56 ARG HGy H 1 1.943 0.001 A 56 ARG HGx H 1 1.699 0.001 A 56 ARG C C 13 181.515 0.01 A 56 ARG CA C 13 58.934 0.01 A 56 ARG CB C 13 29.625 0.01 A 56 ARG CD C 13 43.151 0.01 A 56 ARG CG C 13 27.556 0.01 A 56 ARG N N 15 123.591 0.03 A 57 LYS H H 1 7.843 0.001 A 57 LYS HA H 1 4.023 0.001 A 57 LYS HBx H 1 1.848 0.001 A 57 LYS HBy H 1 1.848 0.001 A 57 LYS HDx H 1 1.636 0.001 A 57 LYS HDy H 1 1.636 0.001 A 57 LYS HEx H 1 2.953 0.001 A 57 LYS HEy H 1 2.953 0.001 A 57 LYS HGy H 1 1.505 0.001 A 57 LYS HGx H 1 1.445 0.001 A 57 LYS C C 13 178.015 0.01 A 57 LYS CA C 13 58.893 0.01 A 57 LYS CB C 13 31.893 0.01 A 57 LYS CD C 13 29.092 0.01 A 57 LYS CE C 13 42.210 0.01 A 57 LYS CG C 13 25.497 0.01 A 57 LYS N N 15 120.676 0.03 A 58 LEU H H 1 7.109 0.001 A 58 LEU HA H 1 4.260 0.001 A 58 LEU HBy H 1 2.084 0.001 A 58 LEU HBx H 1 1.840 0.001 A 58 LEU HDx% H 1 0.825 0.001 A 58 LEU HDy% H 1 0.770 0.001 A 58 LEU HG H 1 1.514 0.001 A 58 LEU C C 13 176.965 0.01 A 58 LEU CA C 13 55.064 0.01 A 58 LEU CB C 13 42.422 0.01 A 58 LEU CDy C 13 26.281 0.01 A 58 LEU CDx C 13 22.236 0.01 A 58 LEU CG C 13 26.608 0.01 A 58 LEU N N 15 117.136 0.03 A 59 GLY H H 1 7.772 0.001 A 59 GLY HAy H 1 4.145 0.001 A 59 GLY HAx H 1 3.604 0.001 A 59 GLY C C 13 174.273 0.01 A 59 GLY CA C 13 44.987 0.01 A 59 GLY N N 15 105.396 0.03 A 60 TYR H H 1 7.323 0.001 A 60 TYR HA H 1 4.595 0.001 A 60 TYR HBy H 1 3.019 0.001 A 60 TYR HBx H 1 2.525 0.001 A 60 TYR HDx H 1 7.307 0.001 A 60 TYR HDy H 1 7.307 0.001 A 60 TYR HEx H 1 6.738 0.001 A 60 TYR HEy H 1 6.738 0.001 A 60 TYR C C 13 175.280 0.01 A 60 TYR CA C 13 58.634 0.01 A 60 TYR CB C 13 39.132 0.01 A 60 TYR CDx C 13 133.078 0.01 A 60 TYR CDy C 13 133.078 0.01 A 60 TYR CEx C 13 118.604 0.01 A 60 TYR CEy C 13 118.604 0.01 A 60 TYR N N 15 119.745 0.03 A 61 SER H H 1 9.516 0.001 A 61 SER HA H 1 4.592 0.001 A 61 SER HBy H 1 4.337 0.001 A 61 SER HBx H 1 4.089 0.001 A 61 SER C C 13 175.412 0.01 A 61 SER CA C 13 57.394 0.01 A 61 SER CB C 13 65.119 0.01 A 61 SER N N 15 118.863 0.03 A 62 SER H H 1 9.152 0.001 A 62 SER HBy H 1 4.047 0.001 A 62 SER HBx H 1 3.953 0.001 A 62 SER C C 13 176.553 0.01 A 62 SER CA C 13 62.719 0.01 A 62 SER N N 15 117.493 0.03 A 63 SER H H 1 8.551 0.001 A 63 SER HA H 1 4.262 0.001 A 63 SER HBx H 1 3.927 0.001 A 63 SER HBy H 1 3.927 0.001 A 63 SER C C 13 177.364 0.01 A 63 SER CA C 13 61.674 0.01 A 63 SER CB C 13 62.435 0.01 A 63 SER N N 15 115.243 0.03 A 64 GLU H H 1 7.762 0.001 A 64 GLU HA H 1 4.122 0.001 A 64 GLU HBy H 1 2.329 0.001 A 64 GLU HBx H 1 1.961 0.001 A 64 GLU HGy H 1 2.432 0.001 A 64 GLU HGx H 1 2.323 0.001 A 64 GLU C C 13 178.750 0.01 A 64 GLU CA C 13 59.107 0.01 A 64 GLU CB C 13 29.732 0.01 A 64 GLU CG C 13 36.914 0.01 A 64 GLU N N 15 123.469 0.03 A 65 ILE H H 1 8.214 0.001 A 65 ILE HA H 1 3.367 0.001 A 65 ILE HB H 1 1.798 0.001 A 65 ILE HD1% H 1 0.825 0.001 A 65 ILE HG1y H 1 1.835 0.001 A 65 ILE HG1x H 1 0.706 0.001 A 65 ILE HG2% H 1 0.860 0.001 A 65 ILE C C 13 177.668 0.01 A 65 ILE CA C 13 65.187 0.01 A 65 ILE CB C 13 38.701 0.01 A 65 ILE CD1 C 13 15.929 0.01 A 65 ILE CG1 C 13 29.052 0.01 A 65 ILE CG2 C 13 19.076 0.01 A 65 ILE N N 15 119.610 0.03 A 66 HIS H H 1 8.649 0.001 A 66 HIS HA H 1 4.085 0.001 A 66 HIS HBy H 1 3.183 0.001 A 66 HIS HBx H 1 3.122 0.001 A 66 HIS HD2 H 1 6.999 0.001 A 66 HIS HE1 H 1 7.664 0.001 A 66 HIS C C 13 178.292 0.01 A 66 HIS CA C 13 60.957 0.01 A 66 HIS CB C 13 30.256 0.01 A 66 HIS CD2 C 13 119.713 0.01 A 66 HIS CE1 C 13 138.113 0.01 A 66 HIS N N 15 117.762 0.03 A 67 SER H H 1 7.877 0.001 A 67 SER HA H 1 4.204 0.001 A 67 SER HBy H 1 4.021 0.001 A 67 SER HBx H 1 3.994 0.001 A 67 SER C C 13 177.230 0.01 A 67 SER CA C 13 61.920 0.01 A 67 SER CB C 13 62.740 0.01 A 67 SER N N 15 113.361 0.03 A 68 VAL H H 1 7.699 0.001 A 68 VAL HA H 1 3.766 0.001 A 68 VAL HB H 1 1.978 0.001 A 68 VAL HGx% H 1 0.918 0.001 A 68 VAL HGy% H 1 0.813 0.001 A 68 VAL C C 13 177.886 0.01 A 68 VAL CA C 13 66.349 0.01 A 68 VAL CB C 13 31.432 0.01 A 68 VAL CGy C 13 23.213 0.01 A 68 VAL CGx C 13 23.136 0.01 A 68 VAL N N 15 121.268 0.03 A 69 LEU H H 1 8.360 0.001 A 69 LEU HA H 1 3.902 0.001 A 69 LEU HBy H 1 1.838 0.001 A 69 LEU HBx H 1 1.238 0.001 A 69 LEU HDx% H 1 0.756 0.001 A 69 LEU HDy% H 1 0.686 0.001 A 69 LEU HG H 1 0.745 0.001 A 69 LEU C C 13 179.905 0.01 A 69 LEU CA C 13 57.573 0.01 A 69 LEU CB C 13 40.792 0.01 A 69 LEU CDx C 13 22.845 0.01 A 69 LEU CDy C 13 26.823 0.01 A 69 LEU CG C 13 26.985 0.01 A 69 LEU N N 15 119.743 0.03 A 70 GLN H H 1 8.132 0.001 A 70 GLN HA H 1 4.031 0.001 A 70 GLN HBy H 1 2.180 0.001 A 70 GLN HBx H 1 2.120 0.001 A 70 GLN HE2y H 1 7.409 0.001 A 70 GLN HE2x H 1 6.820 0.001 A 70 GLN HGy H 1 2.424 0.001 A 70 GLN HGx H 1 2.329 0.001 A 70 GLN C C 13 177.789 0.01 A 70 GLN CA C 13 58.585 0.01 A 70 GLN CB C 13 28.471 0.01 A 70 GLN CD C 13 180.223 0.01 A 70 GLN CG C 13 34.087 0.01 A 70 GLN N N 15 118.695 0.03 A 70 GLN NE2 N 15 111.806 0.03 A 71 LYS H H 1 7.365 0.001 A 71 LYS HA H 1 4.129 0.001 A 71 LYS HBx H 1 1.938 0.001 A 71 LYS HBy H 1 1.938 0.001 A 71 LYS HDx H 1 1.644 0.001 A 71 LYS HDy H 1 1.644 0.001 A 71 LYS HEx H 1 2.917 0.001 A 71 LYS HEy H 1 2.917 0.001 A 71 LYS HGy H 1 1.544 0.001 A 71 LYS HGx H 1 1.334 0.001 A 71 LYS C C 13 178.175 0.01 A 71 LYS CA C 13 58.773 0.01 A 71 LYS CB C 13 33.193 0.01 A 71 LYS CD C 13 29.425 0.01 A 71 LYS CE C 13 42.180 0.01 A 71 LYS CG C 13 24.953 0.01 A 71 LYS N N 15 118.700 0.03 A 72 LEU H H 1 8.244 0.001 A 72 LEU HA H 1 4.250 0.001 A 72 LEU HBy H 1 1.643 0.001 A 72 LEU HBx H 1 1.499 0.001 A 72 LEU HDx% H 1 0.805 0.001 A 72 LEU HDy% H 1 0.686 0.001 A 72 LEU HG H 1 1.514 0.001 A 72 LEU C C 13 178.154 0.01 A 72 LEU CA C 13 55.729 0.01 A 72 LEU CB C 13 43.585 0.01 A 72 LEU CDx C 13 22.202 0.01 A 72 LEU CDy C 13 26.822 0.01 A 72 LEU CG C 13 26.897 0.01 A 72 LEU N N 15 116.223 0.03 A 73 GLY H H 1 7.830 0.001 A 73 GLY HAy H 1 4.388 0.001 A 73 GLY HAx H 1 3.806 0.001 A 73 GLY C C 13 174.281 0.01 A 73 GLY CA C 13 44.588 0.01 A 73 GLY N N 15 109.059 0.03 A 74 VAL H H 1 8.041 0.001 A 74 VAL HA H 1 3.848 0.001 A 74 VAL HB H 1 2.177 0.001 A 74 VAL HGx% H 1 0.982 0.001 A 74 VAL HGy% H 1 0.982 0.001 A 74 VAL C C 13 176.172 0.01 A 74 VAL CA C 13 64.160 0.01 A 74 VAL CB C 13 31.875 0.01 A 74 VAL CGx C 13 21.135 0.01 A 74 VAL CGy C 13 21.135 0.01 A 74 VAL N N 15 116.313 0.03 A 75 GLN H H 1 8.313 0.001 A 75 GLN HA H 1 4.306 0.001 A 75 GLN HBy H 1 2.227 0.001 A 75 GLN HBx H 1 1.967 0.001 A 75 GLN HE2y H 1 7.634 0.001 A 75 GLN HE2x H 1 6.920 0.001 A 75 GLN HGy H 1 2.421 0.001 A 75 GLN HGx H 1 2.335 0.001 A 75 GLN C C 13 175.633 0.01 A 75 GLN CA C 13 55.526 0.01 A 75 GLN CB C 13 27.960 0.01 A 75 GLN CD C 13 180.712 0.01 A 75 GLN CG C 13 34.016 0.01 A 75 GLN N N 15 118.163 0.03 A 75 GLN NE2 N 15 112.628 0.03 A 76 ALA H H 1 7.390 0.001 A 76 ALA HA H 1 4.115 0.001 A 76 ALA HB% H 1 1.217 0.001 A 76 ALA C C 13 176.776 0.01 A 76 ALA CA C 13 52.740 0.01 A 76 ALA CB C 13 19.816 0.01 A 76 ALA N N 15 124.293 0.03 A 77 ASP H H 1 8.397 0.001 A 77 ASP HA H 1 4.558 0.001 A 77 ASP HBy H 1 2.965 0.001 A 77 ASP HBx H 1 2.792 0.001 A 77 ASP C C 13 176.592 0.01 A 77 ASP CA C 13 53.766 0.01 A 77 ASP CB C 13 41.761 0.01 A 77 ASP N N 15 120.874 0.03 A 78 THR H H 1 8.490 0.001 A 78 THR HA H 1 3.881 0.001 A 78 THR HB H 1 4.094 0.001 A 78 THR HG2% H 1 1.154 0.001 A 78 THR C C 13 175.686 0.01 A 78 THR CA C 13 66.799 0.01 A 78 THR CB C 13 69.047 0.01 A 78 THR CG2 C 13 22.509 0.01 A 78 THR N N 15 116.690 0.03 A 79 ASN H H 1 8.632 0.001 A 79 ASN HA H 1 4.531 0.001 A 79 ASN HBy H 1 2.894 0.001 A 79 ASN HBx H 1 2.776 0.001 A 79 ASN HD2y H 1 7.768 0.001 A 79 ASN HD2x H 1 6.949 0.001 A 79 ASN C C 13 178.124 0.01 A 79 ASN CA C 13 56.383 0.01 A 79 ASN CB C 13 38.087 0.01 A 79 ASN CG C 13 176.329 0.01 A 79 ASN N N 15 118.696 0.03 A 79 ASN ND2 N 15 113.311 0.03 A 80 THR H H 1 8.129 0.001 A 80 THR HA H 1 3.978 0.001 A 80 THR HB H 1 4.247 0.001 A 80 THR HG2% H 1 1.255 0.001 A 80 THR C C 13 176.590 0.01 A 80 THR CA C 13 66.021 0.01 A 80 THR CB C 13 68.202 0.01 A 80 THR CG2 C 13 22.177 0.01 A 80 THR N N 15 119.631 0.03 A 81 VAL H H 1 8.041 0.001 A 81 VAL HA H 1 3.269 0.001 A 81 VAL HB H 1 1.993 0.001 A 81 VAL HGx% H 1 0.753 0.001 A 81 VAL HGy% H 1 0.099 0.001 A 81 VAL C C 13 177.671 0.01 A 81 VAL CA C 13 66.249 0.01 A 81 VAL CB C 13 31.534 0.01 A 81 VAL CGy C 13 22.872 0.01 A 81 VAL CGx C 13 20.938 0.01 A 81 VAL N N 15 122.626 0.03 A 82 LEU H H 1 8.482 0.001 A 82 LEU HA H 1 3.896 0.001 A 82 LEU HBy H 1 1.887 0.001 A 82 LEU HBx H 1 1.795 0.001 A 82 LEU HDx% H 1 1.096 0.001 A 82 LEU HDy% H 1 1.058 0.001 A 82 LEU HG H 1 1.893 0.001 A 82 LEU C C 13 178.404 0.01 A 82 LEU CA C 13 57.915 0.01 A 82 LEU CB C 13 41.897 0.01 A 82 LEU CDy C 13 24.773 0.01 A 82 LEU CDx C 13 24.661 0.01 A 82 LEU CG C 13 27.221 0.01 A 82 LEU N N 15 119.485 0.03 A 83 GLY H H 1 7.869 0.001 A 83 GLY HAy H 1 3.895 0.001 A 83 GLY HAx H 1 3.820 0.001 A 83 GLY C C 13 175.521 0.01 A 83 GLY CA C 13 46.732 0.01 A 83 GLY N N 15 103.973 0.03 A 84 GLU H H 1 7.441 0.001 A 84 GLU HA H 1 4.204 0.001 A 84 GLU HBy H 1 2.059 0.001 A 84 GLU HBx H 1 1.983 0.001 A 84 GLU HGx H 1 2.233 0.001 A 84 GLU HGy H 1 2.233 0.001 A 84 GLU C C 13 178.295 0.01 A 84 GLU CA C 13 57.411 0.01 A 84 GLU CB C 13 30.321 0.01 A 84 GLU CG C 13 35.962 0.01 A 84 GLU N N 15 119.262 0.03 A 85 LEU H H 1 7.968 0.001 A 85 LEU HA H 1 3.895 0.001 A 85 LEU HBy H 1 1.447 0.001 A 85 LEU HBx H 1 0.813 0.001 A 85 LEU HDx% H 1 0.441 0.001 A 85 LEU HDy% H 1 -0.067 0.001 A 85 LEU HG H 1 1.287 0.001 A 85 LEU C C 13 178.661 0.01 A 85 LEU CA C 13 57.018 0.01 A 85 LEU CB C 13 41.482 0.01 A 85 LEU CDx C 13 23.118 0.01 A 85 LEU CDy C 13 25.977 0.01 A 85 LEU CG C 13 26.526 0.01 A 85 LEU N N 15 121.030 0.03 A 86 VAL H H 1 7.907 0.001 A 86 VAL HA H 1 4.073 0.001 A 86 VAL HB H 1 2.221 0.001 A 86 VAL HGx% H 1 1.021 0.001 A 86 VAL HGy% H 1 0.984 0.001 A 86 VAL C C 13 176.896 0.01 A 86 VAL CA C 13 63.359 0.01 A 86 VAL CB C 13 32.215 0.01 A 86 VAL CGy C 13 20.957 0.01 A 86 VAL CGx C 13 20.907 0.01 A 86 VAL N N 15 115.343 0.03 A 87 LYS H H 1 7.582 0.001 A 87 LYS HA H 1 4.201 0.001 A 87 LYS HBx H 1 1.790 0.001 A 87 LYS HBy H 1 1.790 0.001 A 87 LYS HDx H 1 1.645 0.001 A 87 LYS HDy H 1 1.645 0.001 A 87 LYS HEx H 1 2.952 0.001 A 87 LYS HEy H 1 2.952 0.001 A 87 LYS HGy H 1 1.494 0.001 A 87 LYS HGx H 1 1.350 0.001 A 87 LYS C C 13 176.635 0.01 A 87 LYS CA C 13 57.164 0.01 A 87 LYS CB C 13 32.812 0.01 A 87 LYS CD C 13 29.422 0.01 A 87 LYS CE C 13 42.212 0.01 A 87 LYS CG C 13 24.751 0.01 A 87 LYS N N 15 121.724 0.03 A 88 HIS H H 1 8.068 0.001 A 88 HIS HA H 1 4.680 0.001 A 88 HIS HBy H 1 3.353 0.001 A 88 HIS HBx H 1 3.209 0.001 A 88 HIS HD2 H 1 7.236 0.001 A 88 HIS HE1 H 1 8.281 0.001 A 88 HIS C C 13 174.543 0.01 A 88 HIS CA C 13 55.892 0.01 A 88 HIS CB C 13 29.757 0.01 A 88 HIS CD2 C 13 121.646 0.01 A 88 HIS CE1 C 13 137.132 0.01 A 88 HIS N N 15 118.797 0.03 A 89 GLY H H 1 8.066 0.001 A 89 GLY HAx H 1 4.870 0.001 A 89 GLY HAy H 1 4.870 0.001 A 89 GLY CA C 13 46.252 0.01 A 89 GLY N N 15 115.891 0.03 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 45 THR H A 45 THR HG2% 1.0 . 4.50 2 2 A 45 THR H A 44 MET HBx 1.0 . 4.83 3 2 A 45 THR H A 44 MET HBy 1.0 . 4.83 4 3 A 47 GLU H A 47 GLU HBx 1.0 . 3.88 5 4 A 47 GLU H A 47 GLU HBy 1.0 . 3.88 6 5 A 47 GLU H A 47 GLU HGx 1.0 . 4.07 7 5 A 47 GLU H A 47 GLU HGy 1.0 . 4.07 8 6 A 47 GLU H A 46 SER HA 1.0 . 3.27 9 7 A 48 LEU H A 48 LEU HDy% 1.0 . 3.81 10 8 A 45 THR HG2% A 48 LEU H 1.0 . 5.50 11 9 A 48 LEU H A 48 LEU HG 1.0 . 3.16 12 10 A 48 LEU H A 48 LEU HBx 1.0 . 2.98 13 11 A 48 LEU H A 48 LEU HBy 1.0 . 3.75 14 12 A 48 LEU H A 48 LEU HA 1.0 . 2.90 15 13 A 46 SER HA A 48 LEU H 1.0 . 3.96 16 14 A 48 LEU H A 49 GLN H 1.0 . 3.00 17 15 A 49 GLN H A 48 LEU HDx% 1.0 . 4.10 18 16 A 48 LEU HG A 49 GLN H 1.0 . 3.70 19 17 A 48 LEU HBx A 49 GLN H 1.0 . 4.10 20 18 A 48 LEU HBy A 49 GLN H 1.0 . 3.77 21 19 A 49 GLN H A 49 GLN HBx 1.0 . 2.72 22 19 A 49 GLN H A 49 GLN HBy 1.0 . 2.72 23 20 A 49 GLN H A 49 GLN HGx 1.0 . 3.55 24 20 A 49 GLN H A 49 GLN HGy 1.0 . 3.55 25 21 A 49 GLN H A 50 MET HA 1.0 . 5.28 26 22 A 48 LEU HDx% A 49 GLN HE2y 1.0 . 4.51 27 23 A 49 GLN HE2y A 49 GLN HBx 1.0 . 4.83 28 23 A 49 GLN HBy A 49 GLN HE2y 1.0 . 4.83 29 24 A 49 GLN HE2y A 49 GLN HGx 1.0 . 3.86 30 24 A 49 GLN HGy A 49 GLN HE2y 1.0 . 3.86 31 25 A 49 GLN HE2x A 49 GLN HGx 1.0 . 3.86 32 25 A 49 GLN HGy A 49 GLN HE2x 1.0 . 3.86 33 26 A 49 GLN HE2x A 49 GLN HBx 1.0 . 4.83 34 26 A 49 GLN HBy A 49 GLN HE2x 1.0 . 4.83 35 27 A 48 LEU HDx% A 49 GLN HE2x 1.0 . 4.51 36 28 A 48 LEU HDx% A 50 MET H 1.0 . 5.08 37 29 A 50 MET H A 49 GLN HBx 1.0 . 3.02 38 29 A 49 GLN HBy A 50 MET H 1.0 . 3.02 39 30 A 50 MET H A 50 MET HBy 1.0 . 3.14 40 31 A 50 MET H A 50 MET HBx 1.0 . 2.76 41 32 A 50 MET H A 49 GLN HGx 1.0 . 4.55 42 32 A 49 GLN HGy A 50 MET H 1.0 . 4.55 43 33 A 50 MET H A 50 MET HGx 1.0 . 4.73 44 34 A 50 MET H A 47 GLU HA 1.0 . 3.51 45 35 A 50 MET H A 51 LYS HA 1.0 . 5.43 46 36 A 50 MET H A 51 LYS H 1.0 . 2.98 47 37 A 49 GLN H A 50 MET H 1.0 . 3.30 48 38 A 47 GLU HA A 51 LYS H 1.0 . 4.39 49 39 A 51 LYS H A 49 GLN HA 1.0 . 4.54 50 40 A 51 LYS H A 50 MET HGy 1.0 . 5.23 51 41 A 51 LYS H A 50 MET HGx 1.0 . 5.23 52 42 A 50 MET HBx A 51 LYS H 1.0 . 3.22 53 43 A 51 LYS H A 51 LYS HBy 1.0 . 2.91 54 44 A 51 LYS H A 51 LYS HBx 1.0 . 3.56 55 45 A 51 LYS H A 51 LYS HGy 1.0 . 4.11 56 46 A 51 LYS H A 51 LYS HGx 1.0 . 4.11 57 47 A 52 VAL H A 52 VAL HGy% 1.0 . 2.86 58 48 A 52 VAL H A 52 VAL HGx% 1.0 . 3.81 59 49 A 52 VAL H A 51 LYS HGx 1.0 . 5.50 60 50 A 52 VAL H A 51 LYS HGy 1.0 . 5.50 61 51 A 52 VAL H A 51 LYS HDx 1.0 . 5.50 62 51 A 52 VAL H A 51 LYS HDy 1.0 . 5.50 63 52 A 51 LYS HBy A 52 VAL H 1.0 . 3.19 64 53 A 52 VAL H A 52 VAL HB 1.0 . 2.89 65 54 A 50 MET HA A 52 VAL H 1.0 . 4.70 66 55 A 51 LYS H A 52 VAL H 1.0 . 2.96 67 56 A 52 VAL HGy% A 53 ASP H 1.0 . 4.00 68 57 A 52 VAL HGx% A 53 ASP H 1.0 . 3.74 69 58 A 52 VAL HB A 53 ASP H 1.0 . 3.00 70 59 A 53 ASP H A 53 ASP HBx 1.0 . 3.29 71 60 A 53 ASP H A 53 ASP HBy 1.0 . 2.86 72 61 A 53 ASP H A 54 PHE HBx 1.0 . 4.76 73 61 A 53 ASP H A 54 PHE HBy 1.0 . 4.76 74 62 A 49 GLN HA A 53 ASP H 1.0 . 4.47 75 63 A 50 MET HA A 53 ASP H 1.0 . 3.64 76 64 A 53 ASP H A 54 PHE H 1.0 . 3.07 77 65 A 57 LYS H A 58 LEU HBy 1.0 . 5.50 78 66 A 54 PHE H A 55 PHE HBy 1.0 . 5.50 79 67 A 51 LYS HA A 54 PHE H 1.0 . 5.50 80 68 A 54 PHE H A 55 PHE H 1.0 . 4.39 81 69 A 86 VAL H A 84 GLU HBx 1.0 . 5.50 82 70 A 58 LEU HBy A 55 PHE H 1.0 . 5.50 83 71 A 86 VAL H A 84 GLU HBy 1.0 . 5.50 84 72 A 55 PHE H A 53 ASP HA 1.0 . 5.43 85 73 A 55 PHE H A 55 PHE HD% 1.0 . 3.83 86 74 A 56 ARG H A 65 ILE HG2% 1.0 . 4.20 87 75 A 52 VAL HGx% A 56 ARG H 1.0 . 4.39 88 76 A 56 ARG H A 56 ARG HGy 1.0 . 3.69 89 77 A 56 ARG H A 56 ARG HBy 1.0 . 2.94 90 78 A 56 ARG H A 56 ARG HBx 1.0 . 3.61 91 79 A 56 ARG H A 57 LYS HBx 1.0 . 4.68 92 79 A 56 ARG H A 57 LYS HBy 1.0 . 4.68 93 80 A 56 ARG H A 55 PHE HBx 1.0 . 3.87 94 81 A 55 PHE HBy A 56 ARG H 1.0 . 3.70 95 82 A 56 ARG H A 56 ARG HDx 1.0 . 5.27 96 83 A 56 ARG H A 56 ARG HDy 1.0 . 5.27 97 84 A 56 ARG H A 52 VAL HA 1.0 . 4.58 98 85 A 56 ARG H A 54 PHE HA 1.0 . 4.52 99 86 A 56 ARG H A 58 LEU H 1.0 . 4.71 100 87 A 55 PHE HD% A 56 ARG H 1.0 . 4.92 101 88 A 57 LYS H A 57 LYS HGx 1.0 . 4.26 102 89 A 57 LYS H A 57 LYS HGy 1.0 . 4.26 103 90 A 57 LYS H A 57 LYS HDx 1.0 . 3.87 104 90 A 57 LYS H A 57 LYS HDy 1.0 . 3.87 105 91 A 57 LYS H A 57 LYS HBx 1.0 . 2.88 106 91 A 57 LYS H A 57 LYS HBy 1.0 . 2.88 107 92 A 57 LYS H A 56 ARG HBy 1.0 . 3.38 108 93 A 57 LYS H A 56 ARG HBx 1.0 . 3.74 109 94 A 57 LYS H A 55 PHE HBx 1.0 . 5.50 110 95 A 57 LYS H A 57 LYS HEx 1.0 . 5.50 111 95 A 57 LYS H A 57 LYS HEy 1.0 . 5.50 112 96 A 58 LEU H A 58 LEU HDy% 1.0 . 3.88 113 97 A 58 LEU H A 58 LEU HDx% 1.0 . 4.04 114 98 A 58 LEU H A 57 LYS HGx 1.0 . 3.92 115 99 A 58 LEU H A 57 LYS HGy 1.0 . 3.92 116 100 A 58 LEU H A 57 LYS HBx 1.0 . 3.91 117 100 A 57 LYS HBy A 58 LEU H 1.0 . 3.91 118 101 A 58 LEU H A 58 LEU HBx 1.0 . 4.17 119 102 A 58 LEU HBy A 58 LEU H 1.0 . 3.09 120 103 A 58 LEU H A 55 PHE HA 1.0 . 3.48 121 104 A 58 LEU H A 56 ARG HA 1.0 . 4.54 122 105 A 58 LEU H A 60 TYR H 1.0 . 4.61 123 106 A 58 LEU HDy% A 59 GLY H 1.0 . 4.93 124 107 A 58 LEU HDx% A 59 GLY H 1.0 . 5.43 125 108 A 59 GLY H A 65 ILE HD1% 1.0 . 5.50 126 109 A 58 LEU HBx A 59 GLY H 1.0 . 4.08 127 110 A 58 LEU HBy A 59 GLY H 1.0 . 4.17 128 111 A 59 GLY H A 57 LYS HA 1.0 . 3.94 129 112 A 56 ARG HA A 59 GLY H 1.0 . 4.33 130 113 A 58 LEU H A 59 GLY H 1.0 . 3.08 131 114 A 60 TYR H A 59 GLY H 1.0 . 3.06 132 115 A 60 TYR H A 65 ILE HD1% 1.0 . 4.44 133 116 A 58 LEU HBx A 60 TYR H 1.0 . 4.84 134 117 A 58 LEU HBy A 60 TYR H 1.0 . 4.63 135 118 A 60 TYR H A 60 TYR HBx 1.0 . 3.83 136 119 A 55 PHE HBx A 60 TYR H 1.0 . 5.02 137 120 A 55 PHE HA A 60 TYR H 1.0 . 5.13 138 121 A 60 TYR H A 61 SER H 1.0 . 5.25 139 122 A 61 SER H A 64 GLU HBx 1.0 . 5.07 140 123 A 61 SER H A 64 GLU HGx 1.0 . 4.13 141 124 A 60 TYR HBx A 61 SER H 1.0 . 4.21 142 125 A 61 SER H A 60 TYR HBy 1.0 . 4.20 143 126 A 61 SER H A 61 SER HBx 1.0 . 3.88 144 127 A 61 SER H A 61 SER HBy 1.0 . 3.88 145 128 A 61 SER H A 60 TYR HA 1.0 . 2.85 146 129 A 61 SER H A 60 TYR HD% 1.0 . 4.29 147 130 A 62 SER H A 61 SER HBy 1.0 . 5.39 148 131 A 62 SER H A 61 SER HBx 1.0 . 5.39 149 132 A 61 SER H A 64 GLU H 1.0 . 4.65 150 133 A 62 SER H A 64 GLU H 1.0 . 5.49 151 134 A 64 GLU H A 66 HIS H 1.0 . 4.70 152 135 A 64 GLU H A 63 SER H 1.0 . 4.26 153 136 A 64 GLU H A 65 ILE H 1.0 . 2.93 154 137 A 64 GLU H A 61 SER HA 1.0 . 4.87 155 138 A 64 GLU H A 61 SER HBy 1.0 . 4.13 156 139 A 64 GLU H A 63 SER HBx 1.0 . 3.30 157 139 A 64 GLU H A 63 SER HBy 1.0 . 3.30 158 140 A 64 GLU H A 65 ILE HA 1.0 . 5.44 159 141 A 64 GLU HGx A 64 GLU H 1.0 . 3.41 160 142 A 64 GLU HBx A 64 GLU H 1.0 . 3.70 161 143 A 64 GLU H A 65 ILE HB 1.0 . 5.41 162 144 A 64 GLU H A 65 ILE HG1x 1.0 . 5.50 163 145 A 65 ILE H A 65 ILE HG1y 1.0 . 3.98 164 146 A 65 ILE HD1% A 65 ILE H 1.0 . 3.32 165 147 A 65 ILE H A 65 ILE HB 1.0 . 2.67 166 148 A 64 GLU HBx A 65 ILE H 1.0 . 3.60 167 149 A 65 ILE H A 64 GLU HBy 1.0 . 3.36 168 150 A 64 GLU HGx A 65 ILE H 1.0 . 4.59 169 151 A 60 TYR HBx A 65 ILE H 1.0 . 4.87 170 152 A 65 ILE H A 66 HIS HBy 1.0 . 4.86 171 153 A 65 ILE H A 63 SER HA 1.0 . 5.39 172 154 A 66 HIS H A 65 ILE H 1.0 . 3.14 173 155 A 61 SER H A 65 ILE H 1.0 . 5.24 174 156 A 66 HIS H A 65 ILE HG1y 1.0 . 5.50 175 157 A 65 ILE HG2% A 66 HIS H 1.0 . 3.96 176 158 A 65 ILE HD1% A 66 HIS H 1.0 . 4.51 177 159 A 66 HIS H A 66 HIS HBx 1.0 . 3.20 178 160 A 66 HIS H A 66 HIS HBy 1.0 . 3.14 179 161 A 66 HIS H A 63 SER HA 1.0 . 4.29 180 162 A 66 HIS H A 66 HIS HD2 1.0 . 4.83 181 163 A 65 ILE HB A 67 SER H 1.0 . 5.50 182 164 A 67 SER H A 69 LEU HBy 1.0 . 5.50 183 165 A 64 GLU HBx A 67 SER H 1.0 . 5.50 184 166 A 64 GLU HBy A 67 SER H 1.0 . 5.50 185 167 A 66 HIS HBx A 67 SER H 1.0 . 3.16 186 168 A 66 HIS HBy A 67 SER H 1.0 . 3.88 187 169 A 67 SER H A 64 GLU HA 1.0 . 4.00 188 170 A 66 HIS H A 67 SER H 1.0 . 3.15 189 171 A 68 VAL H A 68 VAL HGy% 1.0 . 3.57 190 172 A 68 VAL H A 68 VAL HGx% 1.0 . 3.06 191 173 A 69 LEU HBy A 68 VAL H 1.0 . 4.76 192 174 A 65 ILE HA A 68 VAL H 1.0 . 4.03 193 175 A 64 GLU HA A 68 VAL H 1.0 . 4.17 194 176 A 67 SER H A 68 VAL H 1.0 . 3.13 195 177 A 69 LEU H A 69 LEU HDy% 1.0 . 3.27 196 178 A 68 VAL HGy% A 69 LEU H 1.0 . 3.35 197 179 A 68 VAL HGx% A 69 LEU H 1.0 . 4.12 198 180 A 69 LEU H A 69 LEU HBx 1.0 . 3.63 199 181 A 69 LEU HBy A 69 LEU H 1.0 . 2.68 200 182 A 69 LEU H A 68 VAL HB 1.0 . 4.04 201 183 A 65 ILE HA A 69 LEU H 1.0 . 4.33 202 184 A 69 LEU H A 71 LYS H 1.0 . 4.53 203 185 A 68 VAL H A 69 LEU H 1.0 . 2.97 204 186 A 69 LEU HBx A 70 GLN H 1.0 . 4.06 205 187 A 69 LEU HBy A 70 GLN H 1.0 . 3.37 206 188 A 70 GLN H A 70 GLN HBx 1.0 . 2.82 207 189 A 70 GLN H A 70 GLN HBy 1.0 . 3.07 208 190 A 70 GLN H A 70 GLN HGy 1.0 . 4.70 209 191 A 70 GLN H A 67 SER HA 1.0 . 3.79 210 192 A 71 LYS H A 70 GLN H 1.0 . 3.13 211 193 A 70 GLN H A 72 LEU H 1.0 . 4.35 212 194 A 71 LYS H A 71 LYS HGy 1.0 . 4.94 213 195 A 71 LYS H A 71 LYS HDx 1.0 . 5.16 214 195 A 71 LYS H A 71 LYS HDy 1.0 . 5.16 215 196 A 71 LYS H A 72 LEU HBy 1.0 . 5.46 216 197 A 71 LYS H A 71 LYS HBx 1.0 . 3.07 217 197 A 71 LYS H A 71 LYS HBy 1.0 . 3.07 218 198 A 71 LYS H A 68 VAL HA 1.0 . 4.02 219 199 A 71 LYS H A 69 LEU HA 1.0 . 5.26 220 200 A 71 LYS H A 72 LEU HA 1.0 . 5.09 221 201 A 72 LEU H A 72 LEU HDx% 1.0 . 4.32 222 202 A 72 LEU H A 72 LEU HBx 1.0 . 3.89 223 203 A 72 LEU H A 72 LEU HG 1.0 . 4.29 224 204 A 72 LEU H A 72 LEU HBy 1.0 . 3.04 225 205 A 72 LEU H A 71 LYS HBx 1.0 . 3.36 226 205 A 72 LEU H A 71 LYS HBy 1.0 . 3.36 227 206 A 72 LEU H A 69 LEU HA 1.0 . 3.77 228 207 A 71 LYS H A 72 LEU H 1.0 . 3.22 229 208 A 73 GLY H A 74 VAL HGx% 1.0 . 5.20 230 208 A 73 GLY H A 74 VAL HGy% 1.0 . 5.20 231 209 A 72 LEU HBx A 73 GLY H 1.0 . 4.13 232 210 A 72 LEU HBy A 73 GLY H 1.0 . 3.56 233 211 A 69 LEU HA A 73 GLY H 1.0 . 3.61 234 212 A 73 GLY H A 70 GLN HA 1.0 . 4.60 235 213 A 72 LEU H A 73 GLY H 1.0 . 2.90 236 214 A 74 VAL H A 74 VAL HGx% 1.0 . 2.91 237 214 A 74 VAL HGy% A 74 VAL H 1.0 . 2.91 238 215 A 74 VAL H A 76 ALA HB% 1.0 . 4.84 239 216 A 74 VAL H A 74 VAL HB 1.0 . 3.16 240 217 A 72 LEU HBx A 74 VAL H 1.0 . 5.50 241 218 A 74 VAL H A 75 GLN HGy 1.0 . 5.42 242 219 A 74 VAL H A 75 GLN HGx 1.0 . 5.42 243 220 A 74 VAL H A 73 GLY HAx 1.0 . 3.22 244 221 A 74 VAL H A 73 GLY HAy 1.0 . 3.22 245 222 A 74 VAL H A 75 GLN H 1.0 . 3.58 246 223 A 75 GLN H A 74 VAL HGx% 1.0 . 4.00 247 223 A 74 VAL HGy% A 75 GLN H 1.0 . 4.00 248 224 A 76 ALA HB% A 75 GLN H 1.0 . 5.16 249 225 A 74 VAL HB A 75 GLN H 1.0 . 4.16 250 226 A 75 GLN H A 75 GLN HGx 1.0 . 4.32 251 227 A 75 GLN H A 75 GLN HGy 1.0 . 4.32 252 228 A 75 GLN H A 76 ALA H 1.0 . 3.88 253 229 A 75 GLN HE2y A 75 GLN HBx 1.0 . 5.50 254 230 A 75 GLN HE2y A 75 GLN HBy 1.0 . 5.50 255 231 A 75 GLN HE2x A 75 GLN HBx 1.0 . 5.50 256 232 A 75 GLN HE2x A 75 GLN HBy 1.0 . 5.50 257 233 A 76 ALA HA A 77 ASP H 1.0 . 2.49 258 234 A 77 ASP H A 80 THR HB 1.0 . 3.46 259 235 A 78 THR H A 78 THR HG2% 1.0 . 5.29 260 236 A 78 THR H A 77 ASP HBx 1.0 . 5.50 261 237 A 78 THR H A 77 ASP HBy 1.0 . 5.50 262 238 A 78 THR H A 79 ASN H 1.0 . 4.77 263 239 A 78 THR HG2% A 79 ASN H 1.0 . 4.40 264 240 A 79 ASN H A 78 THR HB 1.0 . 3.42 265 241 A 80 THR H A 81 VAL HGy% 1.0 . 4.65 266 242 A 80 THR H A 80 THR HG2% 1.0 . 4.04 267 243 A 80 THR HB A 80 THR H 1.0 . 3.04 268 244 A 80 THR H A 81 VAL H 1.0 . 3.03 269 245 A 81 VAL H A 81 VAL HGx% 1.0 . 4.17 270 246 A 81 VAL HGy% A 81 VAL H 1.0 . 2.87 271 247 A 80 THR HG2% A 81 VAL H 1.0 . 4.01 272 248 A 81 VAL H A 82 LEU HG 1.0 . 4.80 273 249 A 81 VAL H A 81 VAL HB 1.0 . 2.89 274 250 A 81 VAL H A 78 THR HA 1.0 . 4.19 275 251 A 80 THR HB A 81 VAL H 1.0 . 3.05 276 252 A 81 VAL H A 79 ASN HA 1.0 . 4.71 277 253 A 81 VAL H A 82 LEU H 1.0 . 3.05 278 254 A 81 VAL HGx% A 82 LEU H 1.0 . 4.29 279 255 A 82 LEU H A 82 LEU HBy 1.0 . 3.14 280 256 A 82 LEU HG A 82 LEU H 1.0 . 3.01 281 257 A 81 VAL HB A 82 LEU H 1.0 . 3.16 282 258 A 79 ASN HA A 82 LEU H 1.0 . 3.93 283 259 A 82 LEU H A 55 PHE HE% 1.0 . 4.84 284 260 A 82 LEU H A 83 GLY H 1.0 . 3.36 285 261 A 83 GLY H A 82 LEU HDy% 1.0 . 4.83 286 262 A 80 THR HG2% A 83 GLY H 1.0 . 5.50 287 263 A 83 GLY H A 85 LEU HG 1.0 . 5.50 288 264 A 82 LEU HBy A 83 GLY H 1.0 . 3.73 289 265 A 83 GLY H A 82 LEU HBx 1.0 . 4.08 290 266 A 83 GLY H A 81 VAL HA 1.0 . 5.47 291 267 A 83 GLY H A 80 THR HA 1.0 . 3.98 292 268 A 79 ASN HA A 83 GLY H 1.0 . 4.89 293 269 A 83 GLY H A 84 GLU H 1.0 . 3.78 294 270 A 84 GLU H A 84 GLU HBy 1.0 . 3.90 295 271 A 84 GLU H A 84 GLU HGx 1.0 . 4.05 296 271 A 84 GLU H A 84 GLU HGy 1.0 . 4.05 297 272 A 81 VAL HA A 84 GLU H 1.0 . 4.94 298 273 A 85 LEU H A 85 LEU HDx% 1.0 . 4.06 299 274 A 81 VAL HGx% A 85 LEU H 1.0 . 4.67 300 275 A 85 LEU H A 85 LEU HDy% 1.0 . 4.18 301 276 A 85 LEU H A 85 LEU HBx 1.0 . 3.64 302 277 A 85 LEU H A 86 VAL HGy% 1.0 . 4.31 303 278 A 85 LEU HG A 85 LEU H 1.0 . 3.08 304 279 A 82 LEU HBx A 85 LEU H 1.0 . 5.29 305 280 A 85 LEU H A 84 GLU HBy 1.0 . 3.67 306 281 A 81 VAL HA A 85 LEU H 1.0 . 5.26 307 282 A 84 GLU H A 85 LEU H 1.0 . 3.09 308 283 A 86 VAL H A 85 LEU HDx% 1.0 . 5.21 309 284 A 86 VAL H A 85 LEU HDy% 1.0 . 4.97 310 285 A 86 VAL H A 85 LEU HBx 1.0 . 4.87 311 286 A 86 VAL H A 86 VAL HGy% 1.0 . 2.99 312 287 A 86 VAL H A 85 LEU HBy 1.0 . 3.44 313 288 A 86 VAL H A 87 LYS HBx 1.0 . 5.12 314 288 A 86 VAL H A 87 LYS HBy 1.0 . 5.12 315 289 A 86 VAL H A 86 VAL HB 1.0 . 3.19 316 290 A 86 VAL H A 87 LYS H 1.0 . 3.29 317 291 A 87 LYS H A 87 LYS HDx 1.0 . 5.14 318 291 A 87 LYS H A 87 LYS HDy 1.0 . 5.14 319 292 A 87 LYS H A 87 LYS HBx 1.0 . 3.49 320 292 A 87 LYS HBy A 87 LYS H 1.0 . 3.49 321 293 A 86 VAL HB A 87 LYS H 1.0 . 4.59 322 294 A 87 LYS H A 88 HIS H 1.0 . 4.49 323 295 A 88 HIS H A 87 LYS HBx 1.0 . 4.68 324 295 A 87 LYS HBy A 88 HIS H 1.0 . 4.68 325 296 A 89 GLY H A 88 HIS HBx 1.0 . 5.13 326 297 A 89 GLY H A 88 HIS HBy 1.0 . 5.13 327 298 A 69 LEU H A 66 HIS HA 1.0 . 3.85 328 299 A 85 LEU HBy A 87 LYS H 1.0 . 5.27 329 300 A 87 LYS H A 86 VAL HGx% 1.0 . 4.64 330 301 A 86 VAL HGy% A 87 LYS H 1.0 . 5.14 331 302 A 87 LYS H A 85 LEU HA 1.0 . 4.97 332 303 A 85 LEU H A 84 GLU HGx 1.0 . 4.36 333 303 A 84 GLU HGy A 85 LEU H 1.0 . 4.36 334 304 A 82 LEU H A 84 GLU H 1.0 . 4.86 335 305 A 82 LEU H A 82 LEU HDx% 1.0 . 4.13 336 306 A 82 LEU H A 82 LEU HDy% 1.0 . 4.73 337 307 A 76 ALA HB% A 77 ASP H 1.0 . 3.24 338 308 A 76 ALA H A 81 VAL HGy% 1.0 . 5.50 339 309 A 73 GLY H A 76 ALA H 1.0 . 5.34 340 310 A 69 LEU HBx A 73 GLY H 1.0 . 5.24 341 311 A 73 GLY H A 76 ALA HB% 1.0 . 5.40 342 312 A 72 LEU HBx A 76 ALA H 1.0 . 5.50 343 313 A 69 LEU HDy% A 73 GLY H 1.0 . 5.00 344 314 A 67 SER H A 70 GLN HBx 1.0 . 5.47 345 315 A 66 HIS H A 65 ILE HB 1.0 . 3.22 346 316 A 65 ILE H A 65 ILE HG1x 1.0 . 3.16 347 317 A 64 GLU H A 64 GLU HBy 1.0 . 2.99 348 318 A 64 GLU H A 64 GLU HGy 1.0 . 3.22 349 319 A 64 GLU H A 61 SER HBx 1.0 . 4.13 350 320 A 61 SER H A 63 SER H 1.0 . 5.50 351 321 A 61 SER H A 64 GLU HBy 1.0 . 3.66 352 322 A 56 ARG HA A 60 TYR H 1.0 . 3.93 353 323 A 56 ARG H A 60 TYR H 1.0 . 5.47 354 324 A 54 PHE HA A 58 LEU H 1.0 . 5.04 355 325 A 57 LYS H A 58 LEU H 1.0 . 3.12 356 326 A 57 LYS H A 56 ARG H 1.0 . 2.99 357 327 A 55 PHE H A 56 ARG H 1.0 . 3.10 358 328 A 81 VAL HGy% A 82 LEU H 1.0 . 3.66 359 329 A 48 LEU HG A 50 MET H 1.0 . 5.01 360 330 A 49 GLN HE2y A 52 VAL HB 1.0 . 5.02 361 331 A 49 GLN HE2x A 52 VAL HB 1.0 . 5.02 362 332 A 46 SER HA A 49 GLN H 1.0 . 4.50 363 333 A 47 GLU H A 48 LEU H 1.0 . 3.67 364 334 A 45 THR H A 46 SER H 1.0 . 5.50 365 335 A 50 MET HA A 54 PHE H 1.0 . 4.28 366 336 A 57 LYS H A 55 PHE HA 1.0 . 4.61 367 337 A 57 LYS H A 56 ARG HGy 1.0 . 4.89 368 338 A 55 PHE H A 65 ILE HG2% 1.0 . 4.08 369 339 A 55 PHE H A 65 ILE HD1% 1.0 . 4.65 370 340 A 55 PHE H A 56 ARG HBy 1.0 . 4.95 371 341 A 57 LYS H A 55 PHE HBy 1.0 . 5.50 372 342 A 57 LYS H A 60 TYR HBy 1.0 . 5.50 373 343 A 67 SER H A 68 VAL HGy% 1.0 . 4.61 374 344 A 71 LYS H A 70 GLN HBx 1.0 . 3.63 375 345 A 79 ASN H A 80 THR H 1.0 . 3.43 376 346 A 79 ASN H A 82 LEU HDx% 1.0 . 4.63 377 347 A 85 LEU H A 85 LEU HBy 1.0 . 2.90 378 348 A 72 LEU H A 68 VAL HA 1.0 . 4.38 379 349 A 82 LEU H A 55 PHE HZ 1.0 . 4.45 380 350 A 76 ALA HA A 80 THR H 1.0 . 5.50 381 351 A 78 THR HB A 80 THR H 1.0 . 5.50 382 352 A 80 THR HA A 84 GLU H 1.0 . 5.50 383 353 A 89 GLY H A 87 LYS HBx 1.0 . 4.92 384 353 A 87 LYS HBy A 89 GLY H 1.0 . 4.92 385 354 A 89 GLY H A 87 LYS HA 1.0 . 5.49 386 355 A 85 LEU H A 84 GLU HBx 1.0 . 3.67 387 356 A 84 GLU H A 84 GLU HBx 1.0 . 3.90 388 357 A 56 ARG H A 65 ILE HB 1.0 . 5.34 389 358 A 45 THR HG2% A 50 MET H 1.0 . 4.91 390 359 A 47 GLU H A 48 LEU HDy% 1.0 . 5.50 391 360 A 45 THR HG2% A 47 GLU H 1.0 . 5.50 392 361 A 52 VAL H A 55 PHE H 1.0 . 5.50 393 362 A 53 ASP H A 55 PHE H 1.0 . 5.50 394 363 A 58 LEU HDy% A 60 TYR H 1.0 . 5.50 395 364 A 65 ILE HD1% A 61 SER H 1.0 . 4.96 396 365 A 65 ILE HD1% A 64 GLU H 1.0 . 4.89 397 366 A 65 ILE H A 85 LEU HDy% 1.0 . 4.50 398 367 A 70 GLN H A 68 VAL HA 1.0 . 4.34 399 368 A 69 LEU H A 70 GLN H 1.0 . 2.99 400 369 A 73 GLY H A 71 LYS HBx 1.0 . 5.21 401 369 A 71 LYS HBy A 73 GLY H 1.0 . 5.21 402 370 A 81 VAL H A 82 LEU HBy 1.0 . 5.48 403 371 A 86 VAL H A 85 LEU H 1.0 . 2.55 404 372 A 65 ILE HA A 67 SER H 1.0 . 5.03 405 373 A 57 LYS H A 58 LEU HDy% 1.0 . 5.02 406 374 A 54 PHE H A 65 ILE HG2% 1.0 . 5.50 407 375 A 57 LYS H A 65 ILE HD1% 1.0 . 5.50 408 376 A 58 LEU H A 59 GLY HAx 1.0 . 5.40 409 377 A 55 PHE HBx A 58 LEU H 1.0 . 5.50 410 378 A 58 LEU H A 57 LYS HEx 1.0 . 5.50 411 378 A 58 LEU H A 57 LYS HEy 1.0 . 5.50 412 379 A 58 LEU H A 60 TYR HBy 1.0 . 5.08 413 380 A 59 GLY H A 60 TYR HBy 1.0 . 5.47 414 381 A 59 GLY H A 60 TYR HBx 1.0 . 5.50 415 382 A 67 SER H A 68 VAL HGx% 1.0 . 4.61 416 383 A 71 LYS H A 71 LYS HGx 1.0 . 4.94 417 384 A 72 LEU H A 76 ALA HB% 1.0 . 4.91 418 385 A 71 LYS H A 73 GLY H 1.0 . 5.50 419 386 A 44 MET HA A 44 MET HGx 1.0 . 4.12 420 386 A 44 MET HA A 44 MET HGy 1.0 . 4.12 421 387 A 45 THR HG2% A 45 THR HA 1.0 . 3.26 422 388 A 46 SER H A 45 THR HB 1.0 . 4.77 423 389 A 60 TYR HE% A 86 VAL HA 1.0 . 5.50 424 390 A 85 LEU HBy A 86 VAL HA 1.0 . 5.50 425 391 A 86 VAL HA A 87 LYS HBx 1.0 . 5.50 426 391 A 87 LYS HBy A 86 VAL HA 1.0 . 5.50 427 392 A 47 GLU HA A 47 GLU HGx 1.0 . 3.34 428 392 A 47 GLU HGy A 47 GLU HA 1.0 . 3.34 429 393 A 50 MET HBx A 47 GLU HA 1.0 . 3.37 430 394 A 50 MET HBy A 47 GLU HA 1.0 . 3.58 431 395 A 47 GLU HA A 50 MET HE% 1.0 . 3.52 432 396 A 56 ARG HBy A 57 LYS HBx 1.0 . 4.37 433 396 A 56 ARG HBy A 57 LYS HBy 1.0 . 4.37 434 397 A 64 GLU HBx A 65 ILE HG1x 1.0 . 4.76 435 398 A 85 LEU HDy% A 64 GLU HGy 1.0 . 5.07 436 399 A 61 SER H A 64 GLU HGy 1.0 . 5.02 437 400 A 48 LEU HA A 50 MET H 1.0 . 5.03 438 401 A 48 LEU HA A 51 LYS HDx 1.0 . 4.28 439 401 A 48 LEU HA A 51 LYS HDy 1.0 . 4.28 440 402 A 48 LEU HG A 48 LEU HA 1.0 . 3.71 441 403 A 48 LEU HBy A 48 LEU HDx% 1.0 . 3.75 442 404 A 48 LEU HDy% A 48 LEU HBx 1.0 . 3.71 443 405 A 48 LEU HG A 48 LEU HBx 1.0 . 2.88 444 406 A 48 LEU HDy% A 48 LEU HBy 1.0 . 3.57 445 407 A 48 LEU HDy% A 48 LEU HA 1.0 . 5.02 446 408 A 48 LEU HA A 48 LEU HDx% 1.0 . 4.74 447 409 A 48 LEU HBx A 48 LEU HDx% 1.0 . 3.58 448 410 A 49 GLN HA A 52 VAL H 1.0 . 3.84 449 411 A 49 GLN HA A 49 GLN HGx 1.0 . 3.44 450 411 A 49 GLN HGy A 49 GLN HA 1.0 . 3.44 451 412 A 49 GLN HA A 49 GLN HBx 1.0 . 2.83 452 412 A 49 GLN HBy A 49 GLN HA 1.0 . 2.83 453 413 A 49 GLN HA A 52 VAL HGy% 1.0 . 3.66 454 414 A 48 LEU HDx% A 49 GLN HA 1.0 . 3.93 455 415 A 50 MET HA A 49 GLN HBx 1.0 . 4.78 456 415 A 49 GLN HBy A 50 MET HA 1.0 . 4.78 457 416 A 48 LEU HDx% A 49 GLN HGx 1.0 . 4.65 458 416 A 48 LEU HDx% A 49 GLN HGy 1.0 . 4.65 459 417 A 50 MET HA A 51 LYS HA 1.0 . 4.99 460 418 A 50 MET HA A 53 ASP HBy 1.0 . 3.48 461 419 A 50 MET HA A 50 MET HGy 1.0 . 3.55 462 420 A 50 MET HA A 53 ASP HBx 1.0 . 3.61 463 421 A 50 MET HA A 50 MET HGx 1.0 . 3.55 464 422 A 50 MET H A 50 MET HGy 1.0 . 4.73 465 423 A 47 GLU HA A 50 MET HGy 1.0 . 5.50 466 424 A 54 PHE HA A 50 MET HGy 1.0 . 5.50 467 425 A 47 GLU HA A 50 MET HGx 1.0 . 5.50 468 426 A 54 PHE HA A 50 MET HGx 1.0 . 5.50 469 427 A 51 LYS HBx A 52 VAL H 1.0 . 4.58 470 428 A 51 LYS HA A 51 LYS HGy 1.0 . 4.25 471 429 A 51 LYS HA A 51 LYS HDx 1.0 . 4.24 472 429 A 51 LYS HA A 51 LYS HDy 1.0 . 4.24 473 430 A 51 LYS HA A 51 LYS HGx 1.0 . 4.25 474 431 A 51 LYS HBx A 51 LYS HDx 1.0 . 4.20 475 431 A 51 LYS HBx A 51 LYS HDy 1.0 . 4.20 476 432 A 58 LEU HDy% A 57 LYS HEx 1.0 . 4.99 477 432 A 57 LYS HEy A 58 LEU HDy% 1.0 . 4.99 478 433 A 55 PHE H A 52 VAL HA 1.0 . 4.48 479 434 A 54 PHE H A 52 VAL HA 1.0 . 4.57 480 435 A 55 PHE HBy A 52 VAL HA 1.0 . 4.33 481 436 A 52 VAL HGx% A 52 VAL HA 1.0 . 3.42 482 437 A 65 ILE HG2% A 52 VAL HA 1.0 . 2.98 483 438 A 49 GLN HA A 52 VAL HB 1.0 . 3.86 484 439 A 52 VAL HGy% A 52 VAL HA 1.0 . 3.25 485 440 A 52 VAL HGx% A 65 ILE HG2% 1.0 . 2.80 486 441 A 53 ASP HA A 56 ARG HGy 1.0 . 4.42 487 442 A 53 ASP HA A 56 ARG HBy 1.0 . 3.51 488 443 A 53 ASP HA A 56 ARG HGx 1.0 . 3.93 489 444 A 53 ASP HA A 56 ARG HBx 1.0 . 3.65 490 445 A 53 ASP HA A 56 ARG HDx 1.0 . 5.29 491 446 A 53 ASP HA A 56 ARG HDy 1.0 . 5.29 492 447 A 53 ASP HA A 56 ARG H 1.0 . 3.75 493 448 A 53 ASP HBy A 54 PHE H 1.0 . 4.34 494 449 A 53 ASP HBx A 54 PHE HA 1.0 . 5.50 495 450 A 53 ASP HBx A 54 PHE H 1.0 . 4.23 496 451 A 54 PHE HA A 54 PHE HBx 1.0 . 2.86 497 451 A 54 PHE HBy A 54 PHE HA 1.0 . 2.86 498 452 A 54 PHE HA A 57 LYS HDx 1.0 . 4.09 499 452 A 54 PHE HA A 57 LYS HDy 1.0 . 4.09 500 453 A 54 PHE HA A 58 LEU HDy% 1.0 . 4.33 501 454 A 55 PHE HBy A 54 PHE HBx 1.0 . 4.20 502 454 A 54 PHE HBy A 55 PHE HBy 1.0 . 4.20 503 455 A 51 LYS HA A 54 PHE HBx 1.0 . 3.65 504 455 A 51 LYS HA A 54 PHE HBy 1.0 . 3.65 505 456 A 54 PHE H A 54 PHE HBx 1.0 . 3.09 506 456 A 54 PHE HBy A 54 PHE H 1.0 . 3.09 507 457 A 55 PHE H A 54 PHE HBx 1.0 . 3.47 508 457 A 54 PHE HBy A 55 PHE H 1.0 . 3.47 509 458 A 55 PHE HD% A 55 PHE HA 1.0 . 3.65 510 459 A 55 PHE HA A 60 TYR HD% 1.0 . 3.75 511 460 A 55 PHE HA A 54 PHE HBx 1.0 . 4.17 512 460 A 54 PHE HBy A 55 PHE HA 1.0 . 4.17 513 461 A 58 LEU HBy A 55 PHE HA 1.0 . 3.80 514 462 A 58 LEU HBx A 55 PHE HA 1.0 . 4.24 515 463 A 55 PHE HA A 58 LEU HG 1.0 . 4.26 516 464 A 58 LEU HDx% A 55 PHE HA 1.0 . 4.86 517 465 A 55 PHE HA A 65 ILE HD1% 1.0 . 5.17 518 466 A 55 PHE HBy A 65 ILE HG1y 1.0 . 3.94 519 467 A 55 PHE HBy A 65 ILE HG2% 1.0 . 3.56 520 468 A 55 PHE HBy A 65 ILE HD1% 1.0 . 4.11 521 469 A 55 PHE HBy A 65 ILE HG1x 1.0 . 4.18 522 470 A 55 PHE HBy A 55 PHE H 1.0 . 3.84 523 471 A 55 PHE H A 55 PHE HBx 1.0 . 3.94 524 472 A 55 PHE HBx A 52 VAL HA 1.0 . 5.40 525 473 A 65 ILE HG2% A 55 PHE HBx 1.0 . 4.23 526 474 A 55 PHE HBx A 65 ILE HG1y 1.0 . 4.12 527 475 A 56 ARG HA A 65 ILE HD1% 1.0 . 3.82 528 476 A 56 ARG HGy A 56 ARG HA 1.0 . 3.74 529 477 A 56 ARG HBy A 56 ARG HGx 1.0 . 2.40 530 478 A 56 ARG H A 56 ARG HGx 1.0 . 4.27 531 479 A 65 ILE HG2% A 56 ARG HGx 1.0 . 4.49 532 480 A 56 ARG HGy A 65 ILE HD1% 1.0 . 3.97 533 481 A 65 ILE HG2% A 56 ARG HGy 1.0 . 4.40 534 482 A 56 ARG HBy A 56 ARG HDy 1.0 . 4.21 535 483 A 52 VAL HGx% A 56 ARG HDy 1.0 . 4.55 536 484 A 52 VAL HGx% A 56 ARG HDx 1.0 . 4.55 537 485 A 56 ARG HBy A 56 ARG HDx 1.0 . 4.21 538 486 A 57 LYS HA A 57 LYS HGx 1.0 . 4.14 539 487 A 57 LYS HA A 57 LYS HDx 1.0 . 4.58 540 487 A 57 LYS HDy A 57 LYS HA 1.0 . 4.58 541 488 A 57 LYS HA A 57 LYS HBx 1.0 . 3.01 542 488 A 57 LYS HBy A 57 LYS HA 1.0 . 3.01 543 489 A 56 ARG HBy A 57 LYS HA 1.0 . 5.01 544 490 A 70 GLN HA A 70 GLN HGx 1.0 . 3.89 545 491 A 54 PHE HA A 57 LYS HBx 1.0 . 4.05 546 491 A 57 LYS HBy A 54 PHE HA 1.0 . 4.05 547 492 A 57 LYS HDy A 57 LYS HGx 1.0 . 2.94 548 492 A 57 LYS HDx A 57 LYS HGx 1.0 . 2.94 549 493 A 60 TYR H A 58 LEU HA 1.0 . 5.50 550 494 A 60 TYR HD% A 58 LEU HA 1.0 . 5.50 551 495 A 58 LEU HA A 57 LYS HGy 1.0 . 3.71 552 496 A 58 LEU HDx% A 58 LEU HA 1.0 . 2.93 553 497 A 58 LEU HDy% A 58 LEU HA 1.0 . 2.89 554 498 A 58 LEU HBy A 58 LEU HDy% 1.0 . 4.19 555 499 A 58 LEU HDy% A 58 LEU HBx 1.0 . 3.82 556 500 A 58 LEU H A 58 LEU HG 1.0 . 4.36 557 501 A 58 LEU HDx% A 60 TYR HE% 1.0 . 5.14 558 502 A 55 PHE HD% A 58 LEU HDx% 1.0 . 5.29 559 503 A 58 LEU HDx% A 60 TYR HD% 1.0 . 5.50 560 504 A 58 LEU HBy A 58 LEU HDx% 1.0 . 3.79 561 505 A 58 LEU HDx% A 58 LEU HBx 1.0 . 3.77 562 506 A 58 LEU HDy% A 55 PHE HA 1.0 . 3.10 563 507 A 59 GLY H A 60 TYR HA 1.0 . 5.50 564 508 A 60 TYR HBy A 65 ILE HG1y 1.0 . 3.88 565 509 A 65 ILE HD1% A 60 TYR HBy 1.0 . 3.47 566 510 A 60 TYR HBy A 85 LEU HDy% 1.0 . 4.69 567 511 A 60 TYR HBy A 65 ILE HG1x 1.0 . 3.81 568 512 A 55 PHE HA A 60 TYR HBy 1.0 . 4.55 569 513 A 56 ARG HA A 60 TYR HBy 1.0 . 3.89 570 514 A 60 TYR H A 60 TYR HBy 1.0 . 3.70 571 515 A 60 TYR HBy A 65 ILE H 1.0 . 5.07 572 516 A 56 ARG H A 60 TYR HBy 1.0 . 5.07 573 517 A 60 TYR HBx A 65 ILE HG1x 1.0 . 4.44 574 518 A 60 TYR HBx A 65 ILE HG1y 1.0 . 4.72 575 519 A 60 TYR HBy A 85 LEU HDx% 1.0 . 4.92 576 520 A 66 HIS HBy A 63 SER HA 1.0 . 4.06 577 521 A 63 SER HA A 66 HIS HBx 1.0 . 3.68 578 522 A 64 GLU HGx A 64 GLU HA 1.0 . 3.86 579 523 A 65 ILE HG1y A 64 GLU HBy 1.0 . 5.50 580 524 A 64 GLU HBy A 64 GLU HGy 1.0 . 3.00 581 525 A 64 GLU HGx A 85 LEU HDy% 1.0 . 5.05 582 526 A 60 TYR HBx A 64 GLU HGx 1.0 . 4.34 583 527 A 65 ILE H A 64 GLU HGy 1.0 . 5.00 584 528 A 65 ILE HA A 65 ILE HG1x 1.0 . 3.53 585 529 A 65 ILE HA A 68 VAL HGx% 1.0 . 3.94 586 530 A 65 ILE HA A 68 VAL HGy% 1.0 . 3.69 587 531 A 65 ILE HA A 65 ILE HG1y 1.0 . 3.59 588 532 A 65 ILE HA A 85 LEU HDy% 1.0 . 3.55 589 533 A 65 ILE HA A 85 LEU HDx% 1.0 . 4.83 590 534 A 55 PHE HBx A 65 ILE HG1x 1.0 . 4.35 591 535 A 65 ILE HG2% A 65 ILE HG1x 1.0 . 3.66 592 536 A 65 ILE HG2% A 65 ILE H 1.0 . 4.76 593 537 A 65 ILE HG2% A 65 ILE HD1% 1.0 . 2.40 594 538 A 65 ILE HD1% A 65 ILE HB 1.0 . 3.47 595 539 A 65 ILE HD1% A 60 TYR HBx 1.0 . 4.01 596 540 A 55 PHE HBx A 65 ILE HD1% 1.0 . 3.62 597 541 A 65 ILE HD1% A 65 ILE HA 1.0 . 4.18 598 542 A 52 VAL HA A 65 ILE HD1% 1.0 . 5.27 599 543 A 56 ARG H A 65 ILE HD1% 1.0 . 4.29 600 544 A 70 GLN H A 66 HIS HA 1.0 . 4.68 601 545 A 66 HIS HA A 66 HIS HE1 1.0 . 5.50 602 546 A 68 VAL H A 66 HIS HA 1.0 . 5.50 603 547 A 65 ILE HB A 66 HIS HA 1.0 . 4.38 604 548 A 69 LEU HBx A 66 HIS HA 1.0 . 4.34 605 549 A 52 VAL HGy% A 66 HIS HA 1.0 . 4.27 606 550 A 65 ILE HG2% A 66 HIS HA 1.0 . 4.64 607 551 A 67 SER HA A 68 VAL HA 1.0 . 4.99 608 552 A 70 GLN HBy A 67 SER HA 1.0 . 4.02 609 553 A 70 GLN HBx A 67 SER HA 1.0 . 3.68 610 554 A 68 VAL HGx% A 68 VAL HA 1.0 . 3.30 611 555 A 68 VAL HGy% A 68 VAL HA 1.0 . 3.37 612 556 A 68 VAL H A 68 VAL HB 1.0 . 3.62 613 557 A 65 ILE HA A 68 VAL HB 1.0 . 5.11 614 558 A 68 VAL HGx% A 84 GLU HBx 1.0 . 3.94 615 559 A 68 VAL HGx% A 85 LEU HDy% 1.0 . 3.64 616 560 A 68 VAL HGy% A 81 VAL HGx% 1.0 . 4.09 617 561 A 68 VAL HGx% A 85 LEU HA 1.0 . 4.10 618 562 A 85 LEU HDx% A 82 LEU HA 1.0 . 3.90 619 563 A 82 LEU HDy% A 82 LEU HA 1.0 . 3.32 620 564 A 69 LEU HBy A 68 VAL HGy% 1.0 . 3.86 621 565 A 52 VAL HGy% A 69 LEU HBy 1.0 . 4.75 622 566 A 65 ILE HG2% A 69 LEU HBy 1.0 . 5.35 623 567 A 69 LEU HBx A 70 GLN HA 1.0 . 5.50 624 568 A 69 LEU HBx A 70 GLN HBy 1.0 . 5.50 625 569 A 51 LYS HBx A 69 LEU HBx 1.0 . 5.50 626 570 A 68 VAL HGy% A 69 LEU HBx 1.0 . 4.49 627 571 A 81 VAL HGy% A 81 VAL HA 1.0 . 3.60 628 572 A 69 LEU HDy% A 51 LYS HDx 1.0 . 4.21 629 572 A 51 LYS HDy A 69 LEU HDy% 1.0 . 4.21 630 573 A 81 VAL HGy% A 51 LYS HDx 1.0 . 4.40 631 573 A 51 LYS HDy A 81 VAL HGy% 1.0 . 4.40 632 574 A 69 LEU HBy A 69 LEU HDx% 1.0 . 3.99 633 575 A 72 LEU H A 72 LEU HDy% 1.0 . 4.32 634 576 A 70 GLN HA A 70 GLN HGy 1.0 . 3.89 635 577 A 70 GLN H A 70 GLN HGx 1.0 . 4.70 636 578 A 71 LYS HBy A 71 LYS HDx 1.0 . 3.91 637 578 A 71 LYS HDy A 71 LYS HBx 1.0 . 3.91 638 578 A 71 LYS HDy A 71 LYS HBy 1.0 . 3.91 639 578 A 71 LYS HBx A 71 LYS HDx 1.0 . 3.91 640 579 A 72 LEU HA A 72 LEU HG 1.0 . 3.49 641 580 A 72 LEU HA A 72 LEU HDx% 1.0 . 4.02 642 581 A 72 LEU HA A 72 LEU HDy% 1.0 . 4.02 643 582 A 69 LEU HBy A 72 LEU HBy 1.0 . 5.50 644 583 A 69 LEU HA A 72 LEU HBx 1.0 . 5.12 645 584 A 72 LEU HBx A 72 LEU HDx% 1.0 . 3.84 646 585 A 72 LEU HBx A 72 LEU HDy% 1.0 . 3.84 647 586 A 76 ALA H A 74 VAL HA 1.0 . 5.28 648 587 A 76 ALA HB% A 74 VAL HA 1.0 . 4.15 649 588 A 74 VAL HA A 74 VAL HGx% 1.0 . 3.24 650 588 A 74 VAL HGy% A 74 VAL HA 1.0 . 3.24 651 589 A 75 GLN HA A 75 GLN HGy 1.0 . 3.85 652 590 A 75 GLN HA A 75 GLN HGx 1.0 . 3.85 653 591 A 74 VAL HB A 75 GLN HA 1.0 . 4.40 654 592 A 75 GLN HA A 74 VAL HGx% 1.0 . 4.32 655 592 A 74 VAL HGy% A 75 GLN HA 1.0 . 4.32 656 593 A 76 ALA HA A 77 ASP HBx 1.0 . 5.50 657 594 A 76 ALA HA A 77 ASP HBy 1.0 . 5.50 658 595 A 76 ALA HB% A 76 ALA H 1.0 . 3.58 659 596 A 72 LEU HBy A 76 ALA HB% 1.0 . 4.12 660 597 A 76 ALA HB% A 81 VAL HGy% 1.0 . 3.19 661 598 A 80 THR H A 77 ASP HA 1.0 . 5.50 662 599 A 76 ALA HA A 77 ASP HA 1.0 . 4.66 663 600 A 78 THR HA A 77 ASP HA 1.0 . 4.65 664 601 A 76 ALA HB% A 77 ASP HA 1.0 . 4.84 665 602 A 78 THR HA A 55 PHE HZ 1.0 . 5.32 666 603 A 78 THR HA A 55 PHE HE% 1.0 . 5.50 667 604 A 81 VAL HGy% A 78 THR HA 1.0 . 5.00 668 605 A 78 THR HB A 77 ASP HBy 1.0 . 5.50 669 606 A 78 THR HG2% A 78 THR HA 1.0 . 3.76 670 607 A 82 LEU HG A 79 ASN HA 1.0 . 4.17 671 608 A 79 ASN HA A 82 LEU HBy 1.0 . 3.80 672 609 A 79 ASN HA A 82 LEU HDx% 1.0 . 3.96 673 610 A 80 THR HA A 83 GLY HAy 1.0 . 5.50 674 611 A 80 THR HB A 72 LEU HDy% 1.0 . 5.19 675 612 A 80 THR HB A 81 VAL HGy% 1.0 . 5.10 676 613 A 80 THR HG2% A 80 THR HA 1.0 . 3.39 677 614 A 81 VAL HA A 82 LEU HA 1.0 . 4.97 678 615 A 68 VAL HGy% A 81 VAL HA 1.0 . 4.35 679 616 A 82 LEU HG A 81 VAL HB 1.0 . 3.12 680 617 A 81 VAL HB A 78 THR HA 1.0 . 3.90 681 618 A 81 VAL HGx% A 69 LEU HDx% 1.0 . 5.50 682 619 A 81 VAL HGx% A 72 LEU HDy% 1.0 . 5.50 683 620 A 85 LEU H A 82 LEU HA 1.0 . 3.79 684 621 A 85 LEU HG A 82 LEU HA 1.0 . 3.64 685 622 A 82 LEU HBx A 82 LEU HDx% 1.0 . 3.86 686 623 A 79 ASN HA A 82 LEU HBx 1.0 . 5.09 687 624 A 55 PHE HE% A 82 LEU HBx 1.0 . 5.01 688 625 A 82 LEU H A 82 LEU HBx 1.0 . 3.77 689 626 A 48 LEU HBy A 49 GLN HGx 1.0 . 5.44 690 626 A 48 LEU HBy A 49 GLN HGy 1.0 . 5.44 691 627 A 82 LEU HG A 82 LEU HBy 1.0 . 2.79 692 628 A 55 PHE HE% A 82 LEU HDy% 1.0 . 4.30 693 629 A 82 LEU HBy A 82 LEU HDx% 1.0 . 3.64 694 630 A 86 VAL H A 83 GLY HAx 1.0 . 4.84 695 631 A 83 GLY HAx A 84 GLU HGx 1.0 . 5.50 696 631 A 84 GLU HGy A 83 GLY HAx 1.0 . 5.50 697 632 A 86 VAL HGx% A 83 GLY HAy 1.0 . 4.26 698 633 A 82 LEU HBy A 83 GLY HAy 1.0 . 5.27 699 634 A 86 VAL HB A 83 GLY HAy 1.0 . 5.01 700 635 A 68 VAL HGy% A 84 GLU HBy 1.0 . 4.20 701 636 A 84 GLU HA A 84 GLU HGx 1.0 . 3.71 702 636 A 84 GLU HGy A 84 GLU HA 1.0 . 3.71 703 637 A 81 VAL HA A 84 GLU HGx 1.0 . 5.23 704 637 A 81 VAL HA A 84 GLU HGy 1.0 . 5.23 705 638 A 68 VAL HGy% A 84 GLU HGx 1.0 . 3.87 706 638 A 68 VAL HGy% A 84 GLU HGy 1.0 . 3.87 707 639 A 68 VAL HGx% A 84 GLU HGx 1.0 . 3.91 708 639 A 68 VAL HGx% A 84 GLU HGy 1.0 . 3.91 709 640 A 85 LEU HDx% A 85 LEU HBy 1.0 . 4.17 710 641 A 86 VAL H A 85 LEU HG 1.0 . 4.90 711 642 A 68 VAL HGy% A 85 LEU HDy% 1.0 . 4.41 712 643 A 65 ILE HG1x A 85 LEU HDy% 1.0 . 4.96 713 644 A 64 GLU HBx A 85 LEU HDy% 1.0 . 4.23 714 645 A 64 GLU HBy A 85 LEU HDy% 1.0 . 4.72 715 646 A 55 PHE HE% A 85 LEU HDx% 1.0 . 5.50 716 647 A 86 VAL HB A 83 GLY HAx 1.0 . 4.22 717 648 A 86 VAL HGx% A 83 GLY HAx 1.0 . 5.37 718 649 A 87 LYS HA A 87 LYS HEx 1.0 . 4.49 719 649 A 87 LYS HA A 87 LYS HEy 1.0 . 4.49 720 650 A 87 LYS HA A 87 LYS HBx 1.0 . 3.01 721 650 A 87 LYS HBy A 87 LYS HA 1.0 . 3.01 722 651 A 87 LYS HA A 87 LYS HDx 1.0 . 3.69 723 651 A 87 LYS HDy A 87 LYS HA 1.0 . 3.69 724 652 A 87 LYS HA A 87 LYS HGy 1.0 . 3.84 725 653 A 87 LYS HA A 87 LYS HGx 1.0 . 3.84 726 654 A 86 VAL HGx% A 87 LYS HA 1.0 . 4.43 727 655 A 86 VAL HGx% A 87 LYS HGx 1.0 . 3.93 728 656 A 87 LYS HBx A 87 LYS HDx 1.0 . 2.96 729 656 A 87 LYS HBy A 87 LYS HDx 1.0 . 2.96 730 656 A 87 LYS HDy A 87 LYS HBx 1.0 . 2.96 731 656 A 87 LYS HBy A 87 LYS HDy 1.0 . 2.96 732 657 A 57 LYS H A 54 PHE HA 1.0 . 4.35 733 658 A 88 HIS H A 85 LEU HA 1.0 . 5.07 734 659 A 86 VAL HGx% A 87 LYS HGy 1.0 . 3.93 735 660 A 68 VAL HGy% A 85 LEU HG 1.0 . 4.84 736 661 A 86 VAL H A 84 GLU HA 1.0 . 4.68 737 662 A 85 LEU HG A 84 GLU HGx 1.0 . 4.77 738 662 A 85 LEU HG A 84 GLU HGy 1.0 . 4.77 739 663 A 82 LEU HDy% A 82 LEU HBx 1.0 . 3.77 740 664 A 82 LEU HG A 82 LEU HA 1.0 . 3.90 741 665 A 76 ALA HA A 72 LEU HDx% 1.0 . 5.29 742 666 A 69 LEU HA A 76 ALA HB% 1.0 . 4.98 743 667 A 48 LEU HA A 51 LYS H 1.0 . 4.12 744 668 A 72 LEU HBx A 76 ALA HB% 1.0 . 4.03 745 669 A 69 LEU HDy% A 69 LEU HA 1.0 . 2.82 746 670 A 72 LEU HBy A 69 LEU HA 1.0 . 3.80 747 671 A 69 LEU HBy A 69 LEU HDy% 1.0 . 3.43 748 672 A 68 VAL HGx% A 84 GLU HBy 1.0 . 3.94 749 673 A 69 LEU HBy A 66 HIS HA 1.0 . 3.29 750 674 A 65 ILE HG2% A 65 ILE HA 1.0 . 3.13 751 675 A 65 ILE HG2% A 65 ILE HG1y 1.0 . 3.14 752 676 A 64 GLU HBx A 65 ILE HA 1.0 . 5.02 753 677 A 56 ARG HBy A 65 ILE HD1% 1.0 . 4.31 754 678 A 65 ILE HD1% A 56 ARG HGx 1.0 . 4.48 755 679 A 65 ILE HD1% A 64 GLU HBx 1.0 . 5.23 756 680 A 58 LEU HBy A 65 ILE HD1% 1.0 . 5.12 757 681 A 64 GLU HA A 64 GLU HGy 1.0 . 3.73 758 682 A 55 PHE HBx A 56 ARG HA 1.0 . 4.50 759 683 A 56 ARG HA A 60 TYR HBx 1.0 . 5.50 760 684 A 57 LYS HA A 59 GLY HAy 1.0 . 4.87 761 685 A 58 LEU HA A 57 LYS HGx 1.0 . 3.71 762 686 A 58 LEU HDy% A 57 LYS HGx 1.0 . 3.77 763 687 A 58 LEU HDy% A 57 LYS HGy 1.0 . 3.77 764 688 A 57 LYS HA A 57 LYS HGy 1.0 . 4.14 765 689 A 56 ARG HBx A 57 LYS HA 1.0 . 4.39 766 690 A 65 ILE HD1% A 56 ARG HDx 1.0 . 4.63 767 691 A 65 ILE HD1% A 56 ARG HDy 1.0 . 4.63 768 692 A 56 ARG HGy A 65 ILE HB 1.0 . 3.25 769 693 A 55 PHE HBx A 65 ILE HB 1.0 . 5.04 770 694 A 55 PHE HBy A 56 ARG HBy 1.0 . 5.50 771 695 A 55 PHE HBy A 56 ARG HGx 1.0 . 5.50 772 696 A 55 PHE HBy A 65 ILE HB 1.0 . 4.69 773 697 A 50 MET HE% A 50 MET HGy 1.0 . 4.35 774 698 A 50 MET HE% A 50 MET HGx 1.0 . 4.35 775 699 A 48 LEU HG A 49 GLN HA 1.0 . 4.63 776 700 A 48 LEU HBy A 49 GLN HA 1.0 . 4.56 777 701 A 65 ILE HB A 56 ARG HDy 1.0 . 4.90 778 702 A 57 LYS H A 58 LEU HA 1.0 . 5.00 779 703 A 58 LEU HDx% A 55 PHE HE% 1.0 . 5.50 780 704 A 58 LEU HBy A 55 PHE HE% 1.0 . 5.16 781 705 A 65 ILE HG2% A 69 LEU H 1.0 . 5.15 782 706 A 69 LEU H A 69 LEU HG 1.0 . 4.30 783 707 A 66 HIS HA A 69 LEU HG 1.0 . 4.77 784 708 A 76 ALA HA A 72 LEU HDy% 1.0 . 5.29 785 709 A 78 THR HB A 79 ASN HBy 1.0 . 5.50 786 710 A 78 THR HB A 77 ASP HBx 1.0 . 5.50 787 711 A 78 THR HB A 79 ASN HBx 1.0 . 5.50 788 712 A 78 THR HG2% A 79 ASN HA 1.0 . 4.31 789 713 A 76 ALA HB% A 80 THR HB 1.0 . 3.41 790 714 A 81 VAL HB A 82 LEU HDx% 1.0 . 5.14 791 715 A 81 VAL HB A 82 LEU HDy% 1.0 . 5.50 792 716 A 86 VAL H A 83 GLY HAy 1.0 . 3.56 793 717 A 85 LEU HG A 81 VAL HA 1.0 . 5.50 794 718 A 86 VAL H A 86 VAL HGx% 1.0 . 3.79 795 719 A 86 VAL HGy% A 82 LEU HA 1.0 . 4.38 796 720 A 86 VAL HGy% A 86 VAL HA 1.0 . 3.56 797 721 A 48 LEU HA A 51 LYS HBy 1.0 . 3.88 798 722 A 68 VAL HA A 71 LYS HBx 1.0 . 3.63 799 722 A 71 LYS HBy A 68 VAL HA 1.0 . 3.63 800 723 A 85 LEU HBy A 82 LEU HA 1.0 . 3.59 801 724 A 68 VAL HGy% A 69 LEU HA 1.0 . 3.71 802 725 A 69 LEU HDy% A 66 HIS HA 1.0 . 4.91 803 726 A 76 ALA HA A 81 VAL HGy% 1.0 . 5.31 804 727 A 80 THR HB A 72 LEU HDx% 1.0 . 5.19 805 728 A 75 GLN H A 76 ALA HA 1.0 . 5.50 806 729 A 63 SER HA A 67 SER H 1.0 . 4.20 807 730 A 52 VAL HGx% A 69 LEU HBy 1.0 . 4.58 808 731 A 80 THR HA A 83 GLY HAx 1.0 . 4.01 809 732 A 83 GLY H A 86 VAL HGy% 1.0 . 3.98 810 733 A 86 VAL HB A 87 LYS HBx 1.0 . 4.21 811 733 A 87 LYS HBy A 86 VAL HB 1.0 . 4.21 812 734 A 78 THR HG2% A 82 LEU HDx% 1.0 . 2.40 813 735 A 78 THR HG2% A 82 LEU HG 1.0 . 4.16 814 736 A 78 THR HA A 82 LEU HDx% 1.0 . 4.44 815 737 A 56 ARG HA A 65 ILE HB 1.0 . 4.78 816 738 A 60 TYR H A 57 LYS HA 1.0 . 5.30 817 739 A 45 THR HB A 50 MET HE% 1.0 . 5.15 818 740 A 65 ILE HB A 56 ARG HDx 1.0 . 4.90 819 741 A 45 THR HA A 50 MET HE% 1.0 . 4.95 820 742 A 46 SER HA A 47 GLU HA 1.0 . 4.68 821 743 A 46 SER HA A 49 GLN HBx 1.0 . 4.45 822 743 A 46 SER HA A 49 GLN HBy 1.0 . 4.45 823 744 A 50 MET HBy A 50 MET HE% 1.0 . 2.40 824 745 A 50 MET HBx A 50 MET HE% 1.0 . 2.90 825 746 A 52 VAL HA A 69 LEU HG 1.0 . 4.18 826 747 A 52 VAL HA A 69 LEU HDy% 1.0 . 4.53 827 748 A 52 VAL H A 54 PHE HBx 1.0 . 5.50 828 748 A 52 VAL H A 54 PHE HBy 1.0 . 5.50 829 749 A 55 PHE HBx A 54 PHE HBx 1.0 . 5.50 830 749 A 54 PHE HBy A 55 PHE HBx 1.0 . 5.50 831 750 A 54 PHE HBx A 57 LYS HEx 1.0 . 5.50 832 750 A 54 PHE HBy A 57 LYS HEx 1.0 . 5.50 833 750 A 57 LYS HEy A 54 PHE HBx 1.0 . 5.50 834 750 A 54 PHE HBy A 57 LYS HEy 1.0 . 5.50 835 751 A 55 PHE H A 56 ARG HGx 1.0 . 5.50 836 752 A 57 LYS H A 56 ARG HGx 1.0 . 5.50 837 753 A 54 PHE H A 56 ARG HGy 1.0 . 5.50 838 754 A 56 ARG HBx A 65 ILE HD1% 1.0 . 4.26 839 755 A 64 GLU HBx A 68 VAL HGy% 1.0 . 5.36 840 756 A 65 ILE HB A 56 ARG HGx 1.0 . 4.36 841 757 A 60 TYR HA A 59 GLY HAy 1.0 . 4.65 842 758 A 60 TYR HBx A 85 LEU HDy% 1.0 . 5.50 843 759 A 58 LEU HBx A 55 PHE HE% 1.0 . 5.50 844 760 A 65 ILE HD1% A 61 SER HA 1.0 . 4.86 845 761 A 68 VAL HGy% A 66 HIS HA 1.0 . 4.55 846 762 A 52 VAL HGx% A 66 HIS HA 1.0 . 4.46 847 763 A 65 ILE HG2% A 69 LEU HDy% 1.0 . 2.85 848 764 A 68 VAL HGy% A 69 LEU HDy% 1.0 . 2.40 849 765 A 68 VAL HGx% A 85 LEU HG 1.0 . 4.17 850 766 A 69 LEU HBx A 69 LEU HDx% 1.0 . 4.00 851 767 A 52 VAL HGy% A 69 LEU HG 1.0 . 2.48 852 768 A 49 GLN HBy A 49 GLN HGx 1.0 . 2.80 853 768 A 49 GLN HBx A 49 GLN HGx 1.0 . 2.80 854 768 A 49 GLN HGy A 49 GLN HBx 1.0 . 2.80 855 768 A 49 GLN HBy A 49 GLN HGy 1.0 . 2.80 856 769 A 81 VAL HGx% A 72 LEU HDx% 1.0 . 5.50 857 770 A 69 LEU HDy% A 81 VAL HGx% 1.0 . 3.80 858 771 A 86 VAL HGy% A 83 GLY HAy 1.0 . 3.70 859 772 A 78 THR HA A 79 ASN HA 1.0 . 5.50 860 773 A 76 ALA HB% A 80 THR HG2% 1.0 . 3.00 861 774 A 81 VAL HA A 80 THR HA 1.0 . 5.45 862 775 A 68 VAL HB A 69 LEU HA 1.0 . 4.92 863 776 A 81 VAL HB A 82 LEU HA 1.0 . 5.16 864 777 A 81 VAL HGx% A 82 LEU HA 1.0 . 4.65 865 778 A 82 LEU HBy A 55 PHE HE% 1.0 . 5.33 866 779 A 86 VAL HGy% A 83 GLY HAx 1.0 . 4.56 867 780 A 68 VAL HB A 84 GLU HGx 1.0 . 3.22 868 780 A 68 VAL HB A 84 GLU HGy 1.0 . 3.22 869 781 A 68 VAL HGy% A 84 GLU HBx 1.0 . 4.20 870 782 A 80 THR HG2% A 81 VAL HA 1.0 . 5.50 871 783 A 85 LEU HDx% A 85 LEU HA 1.0 . 4.24 872 784 A 85 LEU HDy% A 85 LEU HA 1.0 . 3.20 873 785 A 85 LEU HG A 85 LEU HA 1.0 . 3.35 874 786 A 87 LYS HBy A 87 LYS HEx 1.0 . 3.82 875 786 A 87 LYS HBx A 87 LYS HEx 1.0 . 3.82 876 786 A 87 LYS HEy A 87 LYS HBx 1.0 . 3.82 877 786 A 87 LYS HBy A 87 LYS HEy 1.0 . 3.82 878 787 A 57 LYS HGy A 57 LYS HDx 1.0 . 2.94 879 787 A 57 LYS HDy A 57 LYS HGy 1.0 . 2.94 880 788 A 48 LEU HA A 51 LYS HBx 1.0 . 4.63 881 789 A 81 VAL HGy% A 51 LYS HEx 1.0 . 5.26 882 789 A 81 VAL HGy% A 51 LYS HEy 1.0 . 5.26 883 790 A 58 LEU HDy% A 57 LYS HDx 1.0 . 4.15 884 790 A 57 LYS HDy A 58 LEU HDy% 1.0 . 4.15 885 791 A 60 TYR HBx A 85 LEU HDx% 1.0 . 5.50 886 792 A 61 SER HA A 64 GLU HGy 1.0 . 5.50 887 793 A 60 TYR HA A 64 GLU HBy 1.0 . 5.50 888 794 A 61 SER HA A 64 GLU HBy 1.0 . 5.50 889 795 A 65 ILE HD1% A 85 LEU HDx% 1.0 . 4.96 890 796 A 67 SER HA A 70 GLN HGx 1.0 . 5.23 891 797 A 67 SER HA A 70 GLN HGy 1.0 . 5.23 892 798 A 66 HIS HBx A 67 SER HA 1.0 . 5.02 893 799 A 68 VAL HGx% A 81 VAL HGx% 1.0 . 4.53 894 800 A 52 VAL HGx% A 69 LEU HG 1.0 . 4.09 895 801 A 52 VAL HGx% A 69 LEU HBx 1.0 . 5.09 896 802 A 72 LEU HBy A 76 ALA HA 1.0 . 5.50 897 803 A 72 LEU HBx A 76 ALA HA 1.0 . 5.50 898 804 A 72 LEU HG A 76 ALA HA 1.0 . 5.50 899 805 A 86 VAL HGx% A 86 VAL HA 1.0 . 3.68 900 806 A 76 ALA HB% A 81 VAL HGx% 1.0 . 5.18 901 807 A 58 LEU HDx% A 54 PHE HD% 1.0 . 4.95 902 808 A 54 PHE HA A 54 PHE HD% 1.0 . 3.85 903 809 A 54 PHE H A 54 PHE HD% 1.0 . 4.46 904 810 A 58 LEU HDy% A 54 PHE HE% 1.0 . 4.10 905 811 A 51 LYS HA A 54 PHE HD% 1.0 . 5.03 906 812 A 54 PHE HD% A 54 PHE HZ 1.0 . 3.90 907 813 A 55 PHE H A 54 PHE HD% 1.0 . 4.33 908 814 A 55 PHE HD% A 55 PHE HZ 1.0 . 3.86 909 815 A 55 PHE HD% A 52 VAL HA 1.0 . 4.35 910 816 A 55 PHE HE% A 82 LEU HA 1.0 . 4.37 911 817 A 55 PHE HZ A 82 LEU HA 1.0 . 3.92 912 818 A 82 LEU HDy% A 55 PHE HZ 1.0 . 4.64 913 819 A 78 THR HG2% A 55 PHE HZ 1.0 . 4.53 914 820 A 82 LEU HG A 55 PHE HZ 1.0 . 4.59 915 821 A 81 VAL HB A 55 PHE HZ 1.0 . 4.01 916 822 A 81 VAL HB A 55 PHE HE% 1.0 . 4.43 917 823 A 82 LEU HG A 55 PHE HE% 1.0 . 4.56 918 824 A 81 VAL HGy% A 55 PHE HE% 1.0 . 4.85 919 825 A 81 VAL HGx% A 55 PHE HE% 1.0 . 4.94 920 826 A 55 PHE HD% A 65 ILE HG2% 1.0 . 3.79 921 827 A 55 PHE HD% A 60 TYR HD% 1.0 . 2.40 922 828 A 60 TYR HA A 60 TYR HD% 1.0 . 3.65 923 829 A 55 PHE HBx A 60 TYR HD% 1.0 . 3.62 924 830 A 60 TYR HD% A 85 LEU HDy% 1.0 . 4.30 925 831 A 65 ILE HD1% A 60 TYR HD% 1.0 . 4.17 926 832 A 60 TYR HD% A 85 LEU HBx 1.0 . 4.56 927 833 A 58 LEU HBx A 60 TYR HD% 1.0 . 4.04 928 834 A 58 LEU HBy A 60 TYR HD% 1.0 . 3.69 929 835 A 58 LEU HBy A 60 TYR HE% 1.0 . 3.78 930 836 A 58 LEU HBx A 60 TYR HE% 1.0 . 3.65 931 837 A 85 LEU HBy A 60 TYR HE% 1.0 . 4.70 932 838 A 82 LEU HDy% A 60 TYR HE% 1.0 . 4.53 933 839 A 85 LEU HBx A 60 TYR HE% 1.0 . 3.50 934 840 A 85 LEU HDy% A 60 TYR HE% 1.0 . 5.42 935 841 A 60 TYR HD% A 85 LEU HDx% 1.0 . 4.66 936 842 A 66 HIS HD2 A 66 HIS HA 1.0 . 4.40 937 843 A 55 PHE HA A 54 PHE HD% 1.0 . 4.51 938 844 A 55 PHE HE% A 60 TYR HE% 1.0 . 3.60 939 845 A 58 LEU HDy% A 60 TYR HD% 1.0 . 4.55 940 846 A 58 LEU H A 60 TYR HD% 1.0 . 4.30 941 847 A 85 LEU HDx% A 60 TYR HE% 1.0 . 5.05 942 848 A 81 VAL HGy% A 55 PHE HZ 1.0 . 4.64 943 849 A 45 THR HG2% A 50 MET HGy 1.0 . 5.34 944 849 A 45 THR HG2% A 50 MET HGx 1.0 . 5.34 945 850 A 48 LEU HBy A 46 SER HBy 1.0 . 5.34 946 850 A 48 LEU HBy A 46 SER HBx 1.0 . 5.34 947 851 A 48 LEU HG A 46 SER HBy 1.0 . 4.38 948 851 A 48 LEU HG A 46 SER HBx 1.0 . 4.38 949 852 A 48 LEU HDx% A 46 SER HBy 1.0 . 4.23 950 852 A 48 LEU HDx% A 46 SER HBx 1.0 . 4.23 951 853 A 48 LEU HDy% A 46 SER HBy 1.0 . 4.63 952 853 A 48 LEU HDy% A 46 SER HBx 1.0 . 4.63 953 854 A 49 GLN H A 46 SER HBy 1.0 . 3.83 954 854 A 49 GLN H A 46 SER HBx 1.0 . 3.83 955 855 A 46 SER HBy A 49 GLN HBx 1.0 . 5.10 956 855 A 46 SER HBx A 49 GLN HBx 1.0 . 5.10 957 855 A 49 GLN HBy A 46 SER HBy 1.0 . 5.10 958 855 A 49 GLN HBy A 46 SER HBx 1.0 . 5.10 959 856 A 46 SER HBx A 49 GLN HGx 1.0 . 4.37 960 856 A 46 SER HBy A 49 GLN HGx 1.0 . 4.37 961 856 A 49 GLN HGy A 46 SER HBy 1.0 . 4.37 962 856 A 49 GLN HGy A 46 SER HBx 1.0 . 4.37 963 857 A 48 LEU HA A 47 GLU HBx 1.0 . 4.45 964 857 A 48 LEU HA A 47 GLU HBy 1.0 . 4.45 965 858 A 48 LEU HA A 51 LYS HGx 1.0 . 4.13 966 858 A 48 LEU HA A 51 LYS HGy 1.0 . 4.13 967 859 A 48 LEU HBy A 49 GLN HE2y 1.0 . 5.34 968 859 A 48 LEU HBy A 49 GLN HE2x 1.0 . 5.34 969 860 A 48 LEU HG A 49 GLN HE2y 1.0 . 5.34 970 860 A 48 LEU HG A 49 GLN HE2x 1.0 . 5.34 971 861 A 48 LEU HDx% A 49 GLN HE2y 1.0 . 3.86 972 861 A 48 LEU HDx% A 49 GLN HE2x 1.0 . 3.86 973 862 A 49 GLN HE2y A 49 GLN HA 1.0 . 4.27 974 862 A 49 GLN HE2x A 49 GLN HA 1.0 . 4.27 975 863 A 49 GLN HBy A 49 GLN HE2y 1.0 . 4.13 976 863 A 49 GLN HBy A 49 GLN HE2x 1.0 . 4.13 977 863 A 49 GLN HE2x A 49 GLN HBx 1.0 . 4.13 978 863 A 49 GLN HE2y A 49 GLN HBx 1.0 . 4.13 979 864 A 49 GLN HGy A 49 GLN HE2y 1.0 . 3.13 980 864 A 49 GLN HE2x A 49 GLN HGx 1.0 . 3.13 981 864 A 49 GLN HGy A 49 GLN HE2x 1.0 . 3.13 982 864 A 49 GLN HE2y A 49 GLN HGx 1.0 . 3.13 983 865 A 49 GLN HE2y A 52 VAL HB 1.0 . 4.36 984 865 A 49 GLN HE2x A 52 VAL HB 1.0 . 4.36 985 866 A 49 GLN HE2x A 52 VAL HGx% 1.0 . 5.26 986 866 A 49 GLN HE2y A 52 VAL HGx% 1.0 . 5.26 987 867 A 49 GLN HE2y A 52 VAL HGy% 1.0 . 5.23 988 867 A 49 GLN HE2x A 52 VAL HGy% 1.0 . 5.23 989 868 A 50 MET H A 50 MET HGy 1.0 . 4.15 990 868 A 50 MET H A 50 MET HGx 1.0 . 4.15 991 869 A 50 MET H A 51 LYS HGx 1.0 . 5.32 992 869 A 50 MET H A 51 LYS HGy 1.0 . 5.32 993 870 A 50 MET HA A 50 MET HGy 1.0 . 3.08 994 870 A 50 MET HA A 50 MET HGx 1.0 . 3.08 995 871 A 50 MET HE% A 50 MET HGy 1.0 . 3.65 996 871 A 50 MET HE% A 50 MET HGx 1.0 . 3.65 997 872 A 51 LYS HA A 50 MET HGy 1.0 . 5.34 998 872 A 51 LYS HA A 50 MET HGx 1.0 . 5.34 999 873 A 53 ASP HBx A 50 MET HGy 1.0 . 3.69 1000 873 A 53 ASP HBx A 50 MET HGx 1.0 . 3.69 1001 874 A 51 LYS HA A 51 LYS HGx 1.0 . 3.71 1002 874 A 51 LYS HA A 51 LYS HGy 1.0 . 3.71 1003 875 A 52 VAL H A 51 LYS HGx 1.0 . 4.68 1004 875 A 52 VAL H A 51 LYS HGy 1.0 . 4.68 1005 876 A 52 VAL HGx% A 56 ARG HDx 1.0 . 4.00 1006 876 A 52 VAL HGx% A 56 ARG HDy 1.0 . 4.00 1007 877 A 53 ASP HA A 56 ARG HDx 1.0 . 4.53 1008 877 A 53 ASP HA A 56 ARG HDy 1.0 . 4.53 1009 878 A 54 PHE HA A 57 LYS HGx 1.0 . 5.13 1010 878 A 54 PHE HA A 57 LYS HGy 1.0 . 5.13 1011 879 A 56 ARG H A 56 ARG HDx 1.0 . 4.62 1012 879 A 56 ARG H A 56 ARG HDy 1.0 . 4.62 1013 880 A 56 ARG HA A 56 ARG HDx 1.0 . 3.82 1014 880 A 56 ARG HA A 56 ARG HDy 1.0 . 3.82 1015 881 A 56 ARG HBy A 56 ARG HDx 1.0 . 3.64 1016 881 A 56 ARG HBy A 56 ARG HDy 1.0 . 3.64 1017 882 A 56 ARG HDx A 62 SER HBy 1.0 . 4.36 1018 882 A 56 ARG HDy A 62 SER HBy 1.0 . 4.36 1019 882 A 62 SER HBx A 56 ARG HDx 1.0 . 4.36 1020 882 A 56 ARG HDy A 62 SER HBx 1.0 . 4.36 1021 883 A 65 ILE HG2% A 56 ARG HDx 1.0 . 4.47 1022 883 A 65 ILE HG2% A 56 ARG HDy 1.0 . 4.47 1023 884 A 57 LYS HA A 57 LYS HGx 1.0 . 3.59 1024 884 A 57 LYS HA A 57 LYS HGy 1.0 . 3.59 1025 885 A 57 LYS HEx A 57 LYS HGx 1.0 . 3.65 1026 885 A 57 LYS HEy A 57 LYS HGx 1.0 . 3.65 1027 885 A 57 LYS HGy A 57 LYS HEx 1.0 . 3.65 1028 885 A 57 LYS HEy A 57 LYS HGy 1.0 . 3.65 1029 886 A 58 LEU H A 57 LYS HGx 1.0 . 3.27 1030 886 A 58 LEU H A 57 LYS HGy 1.0 . 3.27 1031 887 A 58 LEU HA A 57 LYS HGx 1.0 . 3.12 1032 887 A 58 LEU HA A 57 LYS HGy 1.0 . 3.12 1033 888 A 58 LEU HBy A 57 LYS HGx 1.0 . 5.34 1034 888 A 58 LEU HBy A 57 LYS HGy 1.0 . 5.34 1035 889 A 58 LEU HDy% A 57 LYS HGx 1.0 . 2.90 1036 889 A 58 LEU HDy% A 57 LYS HGy 1.0 . 2.90 1037 890 A 59 GLY H A 57 LYS HGx 1.0 . 5.04 1038 890 A 59 GLY H A 57 LYS HGy 1.0 . 5.04 1039 891 A 61 SER H A 61 SER HBy 1.0 . 3.16 1040 891 A 61 SER H A 61 SER HBx 1.0 . 3.16 1041 892 A 64 GLU H A 61 SER HBy 1.0 . 3.43 1042 892 A 64 GLU H A 61 SER HBx 1.0 . 3.43 1043 893 A 64 GLU HGy A 61 SER HBy 1.0 . 5.34 1044 893 A 64 GLU HGy A 61 SER HBx 1.0 . 5.34 1045 894 A 64 GLU HGx A 61 SER HBy 1.0 . 3.96 1046 894 A 64 GLU HGx A 61 SER HBx 1.0 . 3.96 1047 895 A 65 ILE HB A 62 SER HBy 1.0 . 5.34 1048 895 A 65 ILE HB A 62 SER HBx 1.0 . 5.34 1049 896 A 65 ILE HD1% A 62 SER HBy 1.0 . 5.34 1050 896 A 65 ILE HD1% A 62 SER HBx 1.0 . 5.34 1051 897 A 64 GLU HA A 67 SER HBy 1.0 . 2.99 1052 897 A 64 GLU HA A 67 SER HBx 1.0 . 2.99 1053 898 A 65 ILE H A 67 SER HBy 1.0 . 5.31 1054 898 A 65 ILE H A 67 SER HBx 1.0 . 5.31 1055 899 A 66 HIS H A 67 SER HBy 1.0 . 4.60 1056 899 A 66 HIS H A 67 SER HBx 1.0 . 4.60 1057 900 A 67 SER H A 67 SER HBy 1.0 . 2.68 1058 900 A 67 SER H A 67 SER HBx 1.0 . 2.68 1059 901 A 67 SER HA A 70 GLN HGx 1.0 . 4.60 1060 901 A 67 SER HA A 70 GLN HGy 1.0 . 4.60 1061 902 A 68 VAL H A 67 SER HBy 1.0 . 3.22 1062 902 A 68 VAL H A 67 SER HBx 1.0 . 3.22 1063 903 A 68 VAL HGx% A 67 SER HBy 1.0 . 4.26 1064 903 A 68 VAL HGx% A 67 SER HBx 1.0 . 4.26 1065 904 A 68 VAL HGy% A 67 SER HBy 1.0 . 4.32 1066 904 A 68 VAL HGy% A 67 SER HBx 1.0 . 4.32 1067 905 A 68 VAL HB A 72 LEU HDx% 1.0 . 3.82 1068 905 A 68 VAL HB A 72 LEU HDy% 1.0 . 3.82 1069 906 A 68 VAL HB A 84 GLU HBx 1.0 . 3.31 1070 906 A 68 VAL HB A 84 GLU HBy 1.0 . 3.31 1071 907 A 68 VAL HGx% A 84 GLU HBx 1.0 . 3.37 1072 907 A 68 VAL HGx% A 84 GLU HBy 1.0 . 3.37 1073 908 A 68 VAL HGy% A 84 GLU HBx 1.0 . 3.46 1074 908 A 68 VAL HGy% A 84 GLU HBy 1.0 . 3.46 1075 909 A 70 GLN H A 70 GLN HGx 1.0 . 3.96 1076 909 A 70 GLN H A 70 GLN HGy 1.0 . 3.96 1077 910 A 71 LYS H A 71 LYS HGx 1.0 . 4.20 1078 910 A 71 LYS H A 71 LYS HGy 1.0 . 4.20 1079 911 A 71 LYS HA A 71 LYS HGx 1.0 . 3.31 1080 911 A 71 LYS HGy A 71 LYS HA 1.0 . 3.31 1081 912 A 71 LYS HDy A 71 LYS HGx 1.0 . 2.31 1082 912 A 71 LYS HGy A 71 LYS HDx 1.0 . 2.31 1083 912 A 71 LYS HDy A 71 LYS HGy 1.0 . 2.31 1084 912 A 71 LYS HDx A 71 LYS HGx 1.0 . 2.31 1085 913 A 72 LEU H A 71 LYS HGx 1.0 . 4.69 1086 913 A 72 LEU H A 71 LYS HGy 1.0 . 4.69 1087 914 A 72 LEU H A 72 LEU HDx% 1.0 . 3.69 1088 914 A 72 LEU H A 72 LEU HDy% 1.0 . 3.69 1089 915 A 72 LEU H A 73 GLY HAx 1.0 . 5.30 1090 915 A 72 LEU H A 73 GLY HAy 1.0 . 5.30 1091 916 A 72 LEU HA A 72 LEU HDx% 1.0 . 2.86 1092 916 A 72 LEU HA A 72 LEU HDy% 1.0 . 2.86 1093 917 A 72 LEU HBy A 72 LEU HDx% 1.0 . 3.14 1094 917 A 72 LEU HBy A 72 LEU HDy% 1.0 . 3.14 1095 918 A 76 ALA HA A 72 LEU HDx% 1.0 . 4.42 1096 918 A 76 ALA HA A 72 LEU HDy% 1.0 . 4.42 1097 919 A 76 ALA HB% A 72 LEU HDx% 1.0 . 3.56 1098 919 A 76 ALA HB% A 72 LEU HDy% 1.0 . 3.56 1099 920 A 80 THR HB A 72 LEU HDx% 1.0 . 4.42 1100 920 A 80 THR HB A 72 LEU HDy% 1.0 . 4.42 1101 921 A 80 THR HG2% A 72 LEU HDx% 1.0 . 3.19 1102 921 A 80 THR HG2% A 72 LEU HDy% 1.0 . 3.19 1103 922 A 81 VAL HA A 72 LEU HDx% 1.0 . 4.17 1104 922 A 81 VAL HA A 72 LEU HDy% 1.0 . 4.17 1105 923 A 74 VAL H A 73 GLY HAx 1.0 . 2.60 1106 923 A 74 VAL H A 73 GLY HAy 1.0 . 2.60 1107 924 A 73 GLY HAx A 74 VAL HGx% 1.0 . 4.56 1108 924 A 73 GLY HAy A 74 VAL HGx% 1.0 . 4.56 1109 924 A 74 VAL HGy% A 73 GLY HAx 1.0 . 4.56 1110 924 A 74 VAL HGy% A 73 GLY HAy 1.0 . 4.56 1111 925 A 75 GLN H A 73 GLY HAx 1.0 . 4.01 1112 925 A 75 GLN H A 73 GLY HAy 1.0 . 4.01 1113 926 A 76 ALA H A 73 GLY HAx 1.0 . 5.34 1114 926 A 76 ALA H A 73 GLY HAy 1.0 . 5.34 1115 927 A 76 ALA HB% A 73 GLY HAx 1.0 . 5.34 1116 927 A 76 ALA HB% A 73 GLY HAy 1.0 . 5.34 1117 928 A 74 VAL H A 75 GLN HGx 1.0 . 4.62 1118 928 A 74 VAL H A 75 GLN HGy 1.0 . 4.62 1119 929 A 75 GLN H A 75 GLN HBx 1.0 . 3.46 1120 929 A 75 GLN H A 75 GLN HBy 1.0 . 3.46 1121 930 A 75 GLN H A 75 GLN HGx 1.0 . 3.76 1122 930 A 75 GLN H A 75 GLN HGy 1.0 . 3.76 1123 931 A 75 GLN HA A 75 GLN HGx 1.0 . 3.37 1124 931 A 75 GLN HA A 75 GLN HGy 1.0 . 3.37 1125 932 A 75 GLN HBy A 75 GLN HGx 1.0 . 2.35 1126 932 A 75 GLN HBx A 75 GLN HGx 1.0 . 2.35 1127 932 A 75 GLN HGy A 75 GLN HBx 1.0 . 2.35 1128 932 A 75 GLN HGy A 75 GLN HBy 1.0 . 2.35 1129 933 A 76 ALA HA A 77 ASP HBx 1.0 . 4.66 1130 933 A 76 ALA HA A 77 ASP HBy 1.0 . 4.66 1131 934 A 77 ASP H A 77 ASP HBx 1.0 . 3.05 1132 934 A 77 ASP H A 77 ASP HBy 1.0 . 3.05 1133 935 A 79 ASN H A 77 ASP HBx 1.0 . 3.97 1134 935 A 79 ASN H A 77 ASP HBy 1.0 . 3.97 1135 936 A 80 THR H A 77 ASP HBx 1.0 . 3.59 1136 936 A 80 THR H A 77 ASP HBy 1.0 . 3.59 1137 937 A 80 THR HB A 77 ASP HBx 1.0 . 4.74 1138 937 A 80 THR HB A 77 ASP HBy 1.0 . 4.74 1139 938 A 81 VAL H A 77 ASP HBx 1.0 . 4.64 1140 938 A 81 VAL H A 77 ASP HBy 1.0 . 4.64 1141 939 A 79 ASN H A 79 ASN HBx 1.0 . 3.07 1142 939 A 79 ASN H A 79 ASN HBy 1.0 . 3.07 1143 940 A 79 ASN H A 79 ASN HD2x 1.0 . 4.62 1144 940 A 79 ASN H A 79 ASN HD2y 1.0 . 4.62 1145 941 A 79 ASN HBx A 79 ASN HD2x 1.0 . 3.23 1146 941 A 79 ASN HBy A 79 ASN HD2x 1.0 . 3.23 1147 941 A 79 ASN HD2y A 79 ASN HBx 1.0 . 3.23 1148 941 A 79 ASN HBy A 79 ASN HD2y 1.0 . 3.23 1149 942 A 80 THR H A 79 ASN HBx 1.0 . 3.65 1150 942 A 80 THR H A 79 ASN HBy 1.0 . 3.65 1151 943 A 81 VAL HA A 84 GLU HBx 1.0 . 4.08 1152 943 A 81 VAL HA A 84 GLU HBy 1.0 . 4.08 1153 944 A 84 GLU H A 84 GLU HBx 1.0 . 3.32 1154 944 A 84 GLU H A 84 GLU HBy 1.0 . 3.32 1155 945 A 85 LEU H A 84 GLU HBx 1.0 . 3.15 1156 945 A 85 LEU H A 84 GLU HBy 1.0 . 3.15 1157 946 A 85 LEU HDy% A 84 GLU HBx 1.0 . 4.47 1158 946 A 85 LEU HDy% A 84 GLU HBy 1.0 . 4.47 1159 947 A 86 VAL HGx% A 87 LYS HGx 1.0 . 3.45 1160 947 A 86 VAL HGx% A 87 LYS HGy 1.0 . 3.45 1161 948 A 87 LYS H A 87 LYS HGx 1.0 . 4.03 1162 948 A 87 LYS H A 87 LYS HGy 1.0 . 4.03 1163 949 A 87 LYS HA A 87 LYS HGx 1.0 . 3.34 1164 949 A 87 LYS HA A 87 LYS HGy 1.0 . 3.34 1165 950 A 89 GLY H A 88 HIS HBy 1.0 . 4.27 1166 950 A 89 GLY H A 88 HIS HBx 1.0 . 4.27 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 46 SER C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -85.7 -36.9 PHI 2 2 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 LEU N 1.0 -70.6 -15.1 PSI 3 3 A 47 GLU C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -95.0 -38.0 PHI 4 4 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 GLN N 1.0 -66.2 -14.9 PSI 5 5 A 48 LEU C A 49 GLN N A 49 GLN CA A 49 GLN C 1.0 -90.5 -37.9 PHI 6 6 A 49 GLN N A 49 GLN CA A 49 GLN C A 50 MET N 1.0 -66.3 -13.5 PSI 7 7 A 49 GLN C A 50 MET N A 50 MET CA A 50 MET C 1.0 -91.9 -39.2 PHI 8 8 A 50 MET N A 50 MET CA A 50 MET C A 51 LYS N 1.0 -66.3 -14.3 PSI 9 9 A 50 MET C A 51 LYS N A 51 LYS CA A 51 LYS C 1.0 -90.6 -37.6 PHI 10 10 A 51 LYS N A 51 LYS CA A 51 LYS C A 52 VAL N 1.0 -69.7 -18.2 PSI 11 11 A 51 LYS C A 52 VAL N A 52 VAL CA A 52 VAL C 1.0 -86.6 -38.4 PHI 12 12 A 52 VAL N A 52 VAL CA A 52 VAL C A 53 ASP N 1.0 -67.6 -18.1 PSI 13 13 A 52 VAL C A 53 ASP N A 53 ASP CA A 53 ASP C 1.0 -84.6 -35.8 PHI 14 14 A 53 ASP N A 53 ASP CA A 53 ASP C A 54 PHE N 1.0 -66.7 -14.0 PSI 15 15 A 53 ASP C A 54 PHE N A 54 PHE CA A 54 PHE C 1.0 -90.4 -40.3 PHI 16 16 A 54 PHE N A 54 PHE CA A 54 PHE C A 55 PHE N 1.0 -72.8 -21.4 PSI 17 17 A 54 PHE C A 55 PHE N A 55 PHE CA A 55 PHE C 1.0 -86.1 -33.3 PHI 18 18 A 55 PHE N A 55 PHE CA A 55 PHE C A 56 ARG N 1.0 -68.2 -11.6 PSI 19 19 A 55 PHE C A 56 ARG N A 56 ARG CA A 56 ARG C 1.0 -89.7 -40.6 PHI 20 20 A 56 ARG N A 56 ARG CA A 56 ARG C A 57 LYS N 1.0 -67.0 -18.5 PSI 21 21 A 56 ARG C A 57 LYS N A 57 LYS CA A 57 LYS C 1.0 -94.3 -42.6 PHI 22 22 A 57 LYS N A 57 LYS CA A 57 LYS C A 58 LEU N 1.0 -55.9 7.8 PSI 23 23 A 57 LYS C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -120.3 -59.7 PHI 24 24 A 58 LEU N A 58 LEU CA A 58 LEU C A 59 GLY N 1.0 -30.8 33.0 PSI 25 25 A 58 LEU C A 59 GLY N A 59 GLY CA A 59 GLY C 1.0 64.9 115.4 PHI 26 26 A 59 GLY N A 59 GLY CA A 59 GLY C A 60 TYR N 1.0 -19.5 41.3 PSI 27 27 A 60 TYR C A 61 SER N A 61 SER CA A 61 SER C 1.0 -135.9 -31.3 PHI 28 28 A 61 SER N A 61 SER CA A 61 SER C A 62 SER N 1.0 137.0 187.1 PSI 29 29 A 61 SER C A 62 SER N A 62 SER CA A 62 SER C 1.0 -83.3 -36.7 PHI 30 30 A 62 SER N A 62 SER CA A 62 SER C A 63 SER N 1.0 -63.3 -13.2 PSI 31 31 A 62 SER C A 63 SER N A 63 SER CA A 63 SER C 1.0 -86.5 -38.4 PHI 32 32 A 63 SER N A 63 SER CA A 63 SER C A 64 GLU N 1.0 -66.2 -16.4 PSI 33 33 A 63 SER C A 64 GLU N A 64 GLU CA A 64 GLU C 1.0 -91.6 -44.5 PHI 34 34 A 64 GLU N A 64 GLU CA A 64 GLU C A 65 ILE N 1.0 -67.5 -15.9 PSI 35 35 A 64 GLU C A 65 ILE N A 65 ILE CA A 65 ILE C 1.0 -84.6 -38.1 PHI 36 36 A 65 ILE N A 65 ILE CA A 65 ILE C A 66 HIS N 1.0 -71.8 -16.8 PSI 37 37 A 65 ILE C A 66 HIS N A 66 HIS CA A 66 HIS C 1.0 -83.2 -36.6 PHI 38 38 A 66 HIS N A 66 HIS CA A 66 HIS C A 67 SER N 1.0 -67.3 -17.6 PSI 39 39 A 66 HIS C A 67 SER N A 67 SER CA A 67 SER C 1.0 -90.5 -38.7 PHI 40 40 A 67 SER N A 67 SER CA A 67 SER C A 68 VAL N 1.0 -71.6 -19.7 PSI 41 41 A 67 SER C A 68 VAL N A 68 VAL CA A 68 VAL C 1.0 -98.1 -36.6 PHI 42 42 A 68 VAL N A 68 VAL CA A 68 VAL C A 69 LEU N 1.0 -71.8 -11.6 PSI 43 43 A 68 VAL C A 69 LEU N A 69 LEU CA A 69 LEU C 1.0 -84.2 -35.9 PHI 44 44 A 69 LEU N A 69 LEU CA A 69 LEU C A 70 GLN N 1.0 -67.6 -13.1 PSI 45 45 A 69 LEU C A 70 GLN N A 70 GLN CA A 70 GLN C 1.0 -86.9 -35.3 PHI 46 46 A 70 GLN N A 70 GLN CA A 70 GLN C A 71 LYS N 1.0 -69.1 -17.3 PSI 47 47 A 70 GLN C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -100.1 -43.6 PHI 48 48 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 LEU N 1.0 -67.1 -4.0 PSI 49 49 A 71 LYS C A 72 LEU N A 72 LEU CA A 72 LEU C 1.0 -129.7 -50.9 PHI 50 50 A 72 LEU N A 72 LEU CA A 72 LEU C A 73 GLY N 1.0 -58.0 22.2 PSI 51 51 A 73 GLY C A 74 VAL N A 74 VAL CA A 74 VAL C 1.0 -97.7 -34.8 PHI 52 52 A 74 VAL N A 74 VAL CA A 74 VAL C A 75 GLN N 1.0 -63.2 0.6 PSI 53 53 A 74 VAL C A 75 GLN N A 75 GLN CA A 75 GLN C 1.0 -131.5 -66.5 PHI 54 54 A 75 GLN N A 75 GLN CA A 75 GLN C A 76 ALA N 1.0 -37.1 22.6 PSI 55 55 A 77 ASP C A 78 THR N A 78 THR CA A 78 THR C 1.0 -84.3 -33.7 PHI 56 56 A 78 THR N A 78 THR CA A 78 THR C A 79 ASN N 1.0 -66.8 -13.5 PSI 57 57 A 78 THR C A 79 ASN N A 79 ASN CA A 79 ASN C 1.0 -91.4 -38.7 PHI 58 58 A 79 ASN N A 79 ASN CA A 79 ASN C A 80 THR N 1.0 -61.8 -4.0 PSI 59 59 A 79 ASN C A 80 THR N A 80 THR CA A 80 THR C 1.0 -101.1 -43.0 PHI 60 60 A 80 THR N A 80 THR CA A 80 THR C A 81 VAL N 1.0 -67.9 -13.1 PSI 61 61 A 80 THR C A 81 VAL N A 81 VAL CA A 81 VAL C 1.0 -87.1 -36.0 PHI 62 62 A 81 VAL N A 81 VAL CA A 81 VAL C A 82 LEU N 1.0 -67.4 -19.6 PSI 63 63 A 81 VAL C A 82 LEU N A 82 LEU CA A 82 LEU C 1.0 -90.2 -38.8 PHI 64 64 A 82 LEU N A 82 LEU CA A 82 LEU C A 83 GLY N 1.0 -71.4 -8.2 PSI 65 65 A 82 LEU C A 83 GLY N A 83 GLY CA A 83 GLY C 1.0 -100.4 -39.6 PHI 66 66 A 83 GLY N A 83 GLY CA A 83 GLY C A 84 GLU N 1.0 -70.1 10.6 PSI 67 67 A 83 GLY C A 84 GLU N A 84 GLU CA A 84 GLU C 1.0 -116.3 -40.3 PHI 68 68 A 84 GLU N A 84 GLU CA A 84 GLU C A 85 LEU N 1.0 -70.5 -2.3 PSI 69 69 A 85 LEU C A 86 VAL N A 86 VAL CA A 86 VAL C 1.0 -118.0 -39.3 PHI 70 70 A 86 VAL N A 86 VAL CA A 86 VAL C A 87 LYS N 1.0 -67.0 10.1 PSI stop_ save_