data_nef_c18672_2lxe 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 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 GLY middle . false 3 A 3 SER middle . . 4 A 4 SER middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 HIS middle . . 8 A 8 HIS middle . . 9 A 9 HIS middle . . 10 A 10 HIS middle . . 11 A 11 SER middle . . 12 A 12 SER middle . . 13 A 13 GLY middle . false 14 A 14 LEU middle . . 15 A 15 VAL middle . . 16 A 16 PRO middle . false 17 A 17 ARG middle . . 18 A 18 GLY middle . false 19 A 19 SER middle . . 20 A 20 HIS middle . . 21 A 21 MET middle . . 22 A 22 ILE middle . . 23 A 23 SER middle . . 24 A 24 LEU middle . . 25 A 25 SER middle . . 26 A 26 GLY middle . false 27 A 27 LEU middle . . 28 A 28 THR middle . . 29 A 29 SER middle . . 30 A 30 SER middle . . 31 A 31 VAL middle . . 32 A 32 GLU middle . . 33 A 33 SER middle . . 34 A 34 ASP middle . . 35 A 35 LEU middle . . 36 A 36 ASP middle . . 37 A 37 MET middle . . 38 A 38 GLN middle . . 39 A 39 GLN middle . . 40 A 40 ALA middle . . 41 A 41 MET middle . . 42 A 42 LEU middle . . 43 A 43 THR middle . . 44 A 44 ASN middle . . 45 A 45 LYS middle . . 46 A 46 ASP middle . . 47 A 47 GLU middle . . 48 A 48 LYS middle . . 49 A 49 VAL middle . . 50 A 50 LEU middle . . 51 A 51 LYS middle . . 52 A 52 ALA middle . . 53 A 53 LEU middle . . 54 A 54 GLU middle . . 55 A 55 ARG middle . . 56 A 56 THR middle . . 57 A 57 ARG middle . . 58 A 58 GLN middle . . 59 A 59 LEU middle . . 60 A 60 ASP middle . . 61 A 61 ILE middle . . 62 A 62 PRO middle . false 63 A 63 ASP middle . . 64 A 64 GLU middle . . 65 A 65 LYS middle . . 66 A 66 THR middle . . 67 A 67 MET middle . . 68 A 68 PRO middle . false 69 A 69 VAL middle . . 70 A 70 LEU middle . . 71 A 71 MET middle . . 72 A 72 LYS middle . . 73 A 73 LEU middle . . 74 A 74 LEU middle . . 75 A 75 GLU middle . . 76 A 76 GLU middle . . 77 A 77 ALA middle . . 78 A 78 GLY middle . false 79 A 79 GLY middle . false 80 A 80 ASN middle . . 81 A 81 TRP middle . . 82 A 82 SER middle . . 83 A 83 TYR middle . . 84 A 84 ILE middle . . 85 A 85 LYS middle . . 86 A 86 LEU middle . . 87 A 87 ASP middle . . 88 A 88 ASN middle . . 89 A 89 TYR middle . . 90 A 90 THR middle . . 91 A 91 ALA middle . . 92 A 92 LEU middle . . 93 A 93 VAL middle . . 94 A 94 ASP middle . . 95 A 95 ALA middle . . 96 A 96 ILE middle . . 97 A 97 TYR middle . . 98 A 98 SER middle . . 99 A 99 VAL middle . . 100 A 100 GLU middle . . 101 A 101 ASP middle . . 102 A 102 GLU middle . . 103 A 103 ASN middle . . 104 A 104 LYS middle . . 105 A 105 GLN middle . . 106 A 106 SER middle . . 107 A 107 GLU middle . . 108 A 108 GLY middle . false 109 A 109 SER end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 3 SER HA H 1 4.457 0.02 A 3 SER HB2 H 1 3.878 0.02 A 3 SER HB3 H 1 3.814 0.02 A 3 SER CA C 13 58.243 0.20 A 3 SER CB C 13 63.624 0.20 A 4 SER H H 1 8.499 0.02 A 4 SER CA C 13 58.537 0.20 A 4 SER N N 15 118.058 0.30 A 12 SER HA H 1 4.386 0.02 A 12 SER HB2 H 1 4.110 0.02 A 12 SER HB3 H 1 4.110 0.02 A 12 SER CA C 13 73.191 0.20 A 12 SER CB C 13 75.669 0.20 A 13 GLY H H 1 8.585 0.02 A 13 GLY HA2 H 1 4.033 0.02 A 13 GLY HA3 H 1 4.033 0.02 A 13 GLY C C 13 174.439 0.20 A 13 GLY CA C 13 45.043 0.20 A 13 GLY N N 15 110.599 0.30 A 14 LEU HA H 1 4.348 0.02 A 14 LEU HB2 H 1 1.577 0.02 A 14 LEU HB3 H 1 1.500 0.02 A 14 LEU HD1% H 1 0.824 0.02 A 14 LEU HD2% H 1 0.824 0.02 A 14 LEU HG H 1 0.896 0.02 A 14 LEU CA C 13 55.021 0.20 A 14 LEU CB C 13 42.357 0.20 A 14 LEU CD1 C 13 24.629 0.20 A 14 LEU CG C 13 26.483 0.20 A 15 VAL H H 1 8.097 0.02 A 15 VAL HA H 1 4.383 0.02 A 15 VAL HB H 1 2.027 0.02 A 15 VAL HG1% H 1 0.904 0.02 A 15 VAL HG2% H 1 0.904 0.02 A 15 VAL CA C 13 59.426 0.20 A 15 VAL CB C 13 32.377 0.20 A 15 VAL N N 15 122.046 0.30 A 16 PRO HA H 1 4.386 0.02 A 16 PRO HB2 H 1 2.233 0.02 A 16 PRO HB3 H 1 1.873 0.02 A 16 PRO HD2 H 1 3.819 0.02 A 16 PRO HD3 H 1 3.594 0.02 A 16 PRO HG2 H 1 1.990 0.02 A 16 PRO HG3 H 1 1.990 0.02 A 16 PRO CA C 13 62.966 0.20 A 16 PRO CB C 13 31.964 0.20 A 16 PRO CD C 13 50.526 0.20 A 16 PRO CG C 13 26.758 0.20 A 17 ARG H H 1 8.477 0.02 A 17 ARG HA H 1 4.296 0.02 A 17 ARG HB2 H 1 1.843 0.02 A 17 ARG HB3 H 1 1.764 0.02 A 17 ARG HD3 H 1 3.164 0.02 A 17 ARG HG3 H 1 1.637 0.02 A 17 ARG C C 13 176.879 0.20 A 17 ARG CA C 13 56.249 0.20 A 17 ARG CB C 13 30.725 0.20 A 17 ARG CD C 13 43.038 0.20 A 17 ARG CG C 13 26.758 0.20 A 17 ARG N N 15 121.931 0.30 A 18 GLY H H 1 8.495 0.02 A 18 GLY HA2 H 1 3.968 0.02 A 18 GLY HA3 H 1 3.968 0.02 A 18 GLY C C 13 174.188 0.20 A 18 GLY CA C 13 45.200 0.20 A 18 GLY N N 15 110.391 0.30 A 19 SER H H 1 8.250 0.02 A 19 SER HA H 1 4.351 0.02 A 19 SER HB2 H 1 3.859 0.02 A 19 SER HB3 H 1 3.859 0.02 A 19 SER C C 13 174.175 0.20 A 19 SER CA C 13 58.462 0.20 A 19 SER CB C 13 63.693 0.20 A 19 SER N N 15 115.617 0.30 A 20 HIS H H 1 8.463 0.02 A 20 HIS HB2 H 1 2.021 0.02 A 20 HIS HB3 H 1 2.021 0.02 A 20 HIS N N 15 120.586 0.30 A 21 MET H H 1 8.268 0.02 A 21 MET HA H 1 4.438 0.02 A 21 MET HB2 H 1 2.001 0.02 A 21 MET HB3 H 1 1.918 0.02 A 21 MET HE% H 1 1.932 0.02 A 21 MET HG2 H 1 2.388 0.02 A 21 MET HG3 H 1 2.446 0.02 A 21 MET C C 13 175.883 0.20 A 21 MET CA C 13 55.455 0.20 A 21 MET CB C 13 32.584 0.20 A 21 MET CE C 13 14.968 0.20 A 21 MET CG C 13 31.704 0.20 A 21 MET N N 15 120.962 0.30 A 22 ILE H H 1 8.164 0.02 A 22 ILE HA H 1 4.181 0.02 A 22 ILE HB H 1 1.828 0.02 A 22 ILE HD1% H 1 0.848 0.02 A 22 ILE HG12 H 1 1.124 0.02 A 22 ILE HG13 H 1 1.413 0.02 A 22 ILE HG2% H 1 0.889 0.02 A 22 ILE C C 13 175.899 0.20 A 22 ILE CA C 13 61.060 0.20 A 22 ILE CB C 13 38.641 0.20 A 22 ILE CD1 C 13 12.883 0.20 A 22 ILE CG1 C 13 27.170 0.20 A 22 ILE CG2 C 13 17.279 0.20 A 22 ILE N N 15 121.788 0.30 A 23 SER H H 1 8.339 0.02 A 23 SER HA H 1 4.483 0.02 A 23 SER HB2 H 1 3.846 0.02 A 23 SER HB3 H 1 3.846 0.02 A 23 SER C C 13 174.630 0.20 A 23 SER CA C 13 57.864 0.20 A 23 SER CB C 13 63.762 0.20 A 23 SER N N 15 119.288 0.30 A 24 LEU H H 1 8.418 0.02 A 24 LEU HA H 1 4.373 0.02 A 24 LEU HB2 H 1 1.627 0.02 A 24 LEU HB3 H 1 1.627 0.02 A 24 LEU HD1% H 1 0.851 0.02 A 24 LEU HD2% H 1 0.853 0.02 A 24 LEU HG H 1 1.614 0.02 A 24 LEU C C 13 177.578 0.20 A 24 LEU CA C 13 55.339 0.20 A 24 LEU CB C 13 42.082 0.20 A 24 LEU CD1 C 13 24.975 0.20 A 24 LEU CD2 C 13 23.151 0.20 A 24 LEU CG C 13 26.685 0.20 A 24 LEU N N 15 124.871 0.30 A 25 SER H H 1 8.247 0.02 A 25 SER HA H 1 4.386 0.02 A 25 SER HB2 H 1 3.866 0.02 A 25 SER HB3 H 1 3.866 0.02 A 25 SER C C 13 175.014 0.20 A 25 SER CA C 13 58.738 0.20 A 25 SER CB C 13 63.646 0.20 A 25 SER N N 15 115.538 0.30 A 26 GLY H H 1 8.354 0.02 A 26 GLY HA2 H 1 3.956 0.02 A 26 GLY HA3 H 1 3.956 0.02 A 26 GLY C C 13 174.144 0.20 A 26 GLY CA C 13 45.259 0.20 A 26 GLY N N 15 110.574 0.30 A 27 LEU H H 1 8.028 0.02 A 27 LEU HA H 1 4.412 0.02 A 27 LEU HB2 H 1 1.654 0.02 A 27 LEU HB3 H 1 1.603 0.02 A 27 LEU HD1% H 1 0.908 0.02 A 27 LEU HD2% H 1 0.858 0.02 A 27 LEU HG H 1 1.587 0.02 A 27 LEU C C 13 177.637 0.20 A 27 LEU CA C 13 55.163 0.20 A 27 LEU CB C 13 42.288 0.20 A 27 LEU CD1 C 13 24.806 0.20 A 27 LEU CD2 C 13 23.086 0.20 A 27 LEU CG C 13 26.596 0.20 A 27 LEU N N 15 121.169 0.30 A 28 THR H H 1 8.156 0.02 A 28 THR HA H 1 4.400 0.02 A 28 THR HB H 1 4.251 0.02 A 28 THR HG2% H 1 1.182 0.02 A 28 THR C C 13 174.424 0.20 A 28 THR CA C 13 61.422 0.20 A 28 THR CB C 13 69.681 0.20 A 28 THR CG2 C 13 21.263 0.20 A 28 THR N N 15 114.154 0.30 A 29 SER H H 1 8.289 0.02 A 29 SER HA H 1 4.502 0.02 A 29 SER HB2 H 1 3.898 0.02 A 29 SER HB3 H 1 3.833 0.02 A 29 SER C C 13 174.408 0.20 A 29 SER CA C 13 58.097 0.20 A 29 SER CB C 13 63.693 0.20 A 29 SER N N 15 117.717 0.30 A 30 SER H H 1 8.396 0.02 A 30 SER HA H 1 4.513 0.02 A 30 SER HB2 H 1 3.870 0.02 A 30 SER HB3 H 1 3.870 0.02 A 30 SER C C 13 174.457 0.20 A 30 SER CA C 13 58.238 0.20 A 30 SER CB C 13 63.809 0.20 A 30 SER N N 15 117.982 0.30 A 31 VAL H H 1 8.151 0.02 A 31 VAL HA H 1 4.142 0.02 A 31 VAL HB H 1 2.085 0.02 A 31 VAL HG1% H 1 0.900 0.02 A 31 VAL HG2% H 1 0.896 0.02 A 31 VAL C C 13 176.311 0.20 A 31 VAL CA C 13 62.380 0.20 A 31 VAL CB C 13 32.377 0.20 A 31 VAL CG1 C 13 21.021 0.20 A 31 VAL CG2 C 13 20.233 0.20 A 31 VAL N N 15 121.063 0.30 A 32 GLU H H 1 8.474 0.02 A 32 GLU HA H 1 4.271 0.02 A 32 GLU HB2 H 1 2.060 0.02 A 32 GLU HB3 H 1 1.944 0.02 A 32 GLU HG2 H 1 2.245 0.02 A 32 GLU HG3 H 1 2.262 0.02 A 32 GLU C C 13 176.561 0.20 A 32 GLU CA C 13 56.924 0.20 A 32 GLU CB C 13 29.899 0.20 A 32 GLU CG C 13 36.025 0.20 A 32 GLU N N 15 123.769 0.30 A 33 SER H H 1 8.279 0.02 A 33 SER HA H 1 4.438 0.02 A 33 SER HB2 H 1 3.911 0.02 A 33 SER HB3 H 1 3.827 0.02 A 33 SER C C 13 174.424 0.20 A 33 SER CA C 13 58.394 0.20 A 33 SER CB C 13 63.924 0.20 A 33 SER N N 15 116.215 0.30 A 34 ASP H H 1 8.372 0.02 A 34 ASP HA H 1 4.576 0.02 A 34 ASP HB2 H 1 2.657 0.02 A 34 ASP HB3 H 1 2.728 0.02 A 34 ASP C C 13 176.606 0.20 A 34 ASP CA C 13 54.782 0.20 A 34 ASP CB C 13 40.705 0.20 A 34 ASP N N 15 122.645 0.30 A 35 LEU H H 1 8.095 0.02 A 35 LEU HA H 1 4.200 0.02 A 35 LEU HB2 H 1 1.641 0.02 A 35 LEU HB3 H 1 1.551 0.02 A 35 LEU HD1% H 1 0.833 0.02 A 35 LEU HD2% H 1 0.900 0.02 A 35 LEU HG H 1 1.609 0.02 A 35 LEU C C 13 177.800 0.20 A 35 LEU CA C 13 56.073 0.20 A 35 LEU CB C 13 42.013 0.20 A 35 LEU CD1 C 13 24.669 0.20 A 35 LEU CD2 C 13 23.154 0.20 A 35 LEU CG C 13 26.665 0.20 A 35 LEU N N 15 121.885 0.30 A 36 ASP H H 1 8.227 0.02 A 36 ASP HA H 1 4.521 0.02 A 36 ASP HB2 H 1 2.705 0.02 A 36 ASP HB3 H 1 2.705 0.02 A 36 ASP C C 13 177.298 0.20 A 36 ASP CA C 13 55.105 0.20 A 36 ASP CB C 13 40.636 0.20 A 36 ASP N N 15 120.310 0.30 A 37 MET H H 1 8.227 0.02 A 37 MET HA H 1 4.373 0.02 A 37 MET HB2 H 1 2.091 0.02 A 37 MET HB3 H 1 2.091 0.02 A 37 MET HE% H 1 2.006 0.02 A 37 MET HG2 H 1 2.516 0.02 A 37 MET HG3 H 1 2.625 0.02 A 37 MET C C 13 176.952 0.20 A 37 MET CA C 13 56.571 0.20 A 37 MET CB C 13 32.171 0.20 A 37 MET CE C 13 16.527 0.20 A 37 MET CG C 13 31.815 0.20 A 37 MET N N 15 120.625 0.30 A 38 GLN H H 1 8.282 0.02 A 38 GLN HA H 1 4.174 0.02 A 38 GLN HB2 H 1 2.098 0.02 A 38 GLN HB3 H 1 2.143 0.02 A 38 GLN HE21 H 1 6.867 0.02 A 38 GLN HE22 H 1 7.553 0.02 A 38 GLN HG2 H 1 2.336 0.02 A 38 GLN HG3 H 1 2.394 0.02 A 38 GLN C C 13 177.254 0.20 A 38 GLN CA C 13 57.451 0.20 A 38 GLN CB C 13 28.592 0.20 A 38 GLN CG C 13 33.754 0.20 A 38 GLN N N 15 119.730 0.30 A 38 GLN NE2 N 15 111.777 0.30 A 39 GLN H H 1 8.234 0.02 A 39 GLN HA H 1 4.174 0.02 A 39 GLN HB2 H 1 2.053 0.02 A 39 GLN HB3 H 1 2.130 0.02 A 39 GLN HE21 H 1 6.833 0.02 A 39 GLN HE22 H 1 7.529 0.02 A 39 GLN HG2 H 1 2.386 0.02 A 39 GLN HG3 H 1 2.386 0.02 A 39 GLN C C 13 176.945 0.20 A 39 GLN CA C 13 56.923 0.20 A 39 GLN CB C 13 28.613 0.20 A 39 GLN CG C 13 33.627 0.20 A 39 GLN N N 15 119.327 0.30 A 39 GLN NE2 N 15 112.534 0.30 A 40 ALA H H 1 8.154 0.02 A 40 ALA HA H 1 4.219 0.02 A 40 ALA HB% H 1 1.416 0.02 A 40 ALA C C 13 178.374 0.20 A 40 ALA CA C 13 53.457 0.20 A 40 ALA CB C 13 18.584 0.20 A 40 ALA N N 15 123.319 0.30 A 41 MET H H 1 8.049 0.02 A 41 MET HA H 1 4.373 0.02 A 41 MET HB2 H 1 2.085 0.02 A 41 MET HB3 H 1 2.085 0.02 A 41 MET HE% H 1 1.983 0.02 A 41 MET HG2 H 1 2.651 0.02 A 41 MET HG3 H 1 2.548 0.02 A 41 MET C C 13 176.679 0.20 A 41 MET CA C 13 56.365 0.20 A 41 MET CB C 13 32.322 0.20 A 41 MET CE C 13 16.527 0.20 A 41 MET CG C 13 31.827 0.20 A 41 MET N N 15 117.433 0.30 A 42 LEU H H 1 7.980 0.02 A 42 LEU HA H 1 4.373 0.02 A 42 LEU HB2 H 1 1.757 0.02 A 42 LEU HB3 H 1 1.603 0.02 A 42 LEU HD1% H 1 0.898 0.02 A 42 LEU HD2% H 1 0.877 0.02 A 42 LEU HG H 1 1.706 0.02 A 42 LEU C C 13 177.623 0.20 A 42 LEU CA C 13 55.574 0.20 A 42 LEU CB C 13 42.288 0.20 A 42 LEU CD1 C 13 24.944 0.20 A 42 LEU CD2 C 13 23.361 0.20 A 42 LEU CG C 13 26.665 0.20 A 42 LEU N N 15 121.053 0.30 A 43 THR H H 1 7.943 0.02 A 43 THR HA H 1 4.361 0.02 A 43 THR HB H 1 4.271 0.02 A 43 THR HG2% H 1 1.198 0.02 A 43 THR C C 13 174.468 0.20 A 43 THR CA C 13 61.969 0.20 A 43 THR CB C 13 69.888 0.20 A 43 THR CG2 C 13 21.296 0.20 A 43 THR N N 15 112.514 0.30 A 44 ASN H H 1 8.270 0.02 A 44 ASN HA H 1 4.534 0.02 A 44 ASN HB2 H 1 2.844 0.02 A 44 ASN HB3 H 1 2.786 0.02 A 44 ASN HD21 H 1 6.866 0.02 A 44 ASN HD22 H 1 7.558 0.02 A 44 ASN C C 13 174.984 0.20 A 44 ASN CA C 13 53.438 0.20 A 44 ASN CB C 13 38.227 0.20 A 44 ASN N N 15 119.187 0.30 A 44 ASN ND2 N 15 111.768 0.30 A 45 LYS H H 1 8.062 0.02 A 45 LYS HA H 1 4.200 0.02 A 45 LYS HB2 H 1 1.847 0.02 A 45 LYS HB3 H 1 1.738 0.02 A 45 LYS HD2 H 1 1.641 0.02 A 45 LYS HD3 H 1 1.690 0.02 A 45 LYS HE2 H 1 2.961 0.02 A 45 LYS HE3 H 1 2.961 0.02 A 45 LYS HG2 H 1 1.364 0.02 A 45 LYS HG3 H 1 1.449 0.02 A 45 LYS C C 13 176.016 0.20 A 45 LYS CA C 13 56.161 0.20 A 45 LYS CB C 13 32.308 0.20 A 45 LYS CD C 13 28.729 0.20 A 45 LYS CE C 13 41.669 0.20 A 45 LYS CG C 13 24.462 0.20 A 45 LYS N N 15 119.278 0.30 A 46 ASP H H 1 7.914 0.02 A 46 ASP HA H 1 4.470 0.02 A 46 ASP HB2 H 1 2.734 0.02 A 46 ASP HB3 H 1 2.734 0.02 A 46 ASP C C 13 176.959 0.20 A 46 ASP CA C 13 54.547 0.20 A 46 ASP CB C 13 42.082 0.20 A 46 ASP N N 15 121.063 0.30 A 47 GLU H H 1 8.735 0.02 A 47 GLU HA H 1 3.917 0.02 A 47 GLU HB2 H 1 1.995 0.02 A 47 GLU HB3 H 1 1.995 0.02 A 47 GLU HG2 H 1 2.217 0.02 A 47 GLU HG3 H 1 2.273 0.02 A 47 GLU C C 13 177.814 0.20 A 47 GLU CA C 13 59.358 0.20 A 47 GLU CB C 13 29.349 0.20 A 47 GLU CG C 13 35.681 0.20 A 47 GLU N N 15 124.733 0.30 A 48 LYS H H 1 8.144 0.02 A 48 LYS HA H 1 3.583 0.02 A 48 LYS HB2 H 1 1.037 0.02 A 48 LYS HB3 H 1 -0.126 0.02 A 48 LYS HD2 H 1 0.928 0.02 A 48 LYS HD3 H 1 0.664 0.02 A 48 LYS HE2 H 1 2.571 0.02 A 48 LYS HE3 H 1 2.700 0.02 A 48 LYS HG2 H 1 0.850 0.02 A 48 LYS HG3 H 1 1.103 0.02 A 48 LYS C C 13 179.495 0.20 A 48 LYS CA C 13 59.162 0.20 A 48 LYS CB C 13 29.611 0.20 A 48 LYS CD C 13 28.041 0.20 A 48 LYS CE C 13 40.406 0.20 A 48 LYS CG C 13 24.145 0.20 A 48 LYS N N 15 118.493 0.30 A 49 VAL H H 1 7.431 0.02 A 49 VAL HA H 1 3.634 0.02 A 49 VAL HB H 1 2.297 0.02 A 49 VAL HG1% H 1 0.896 0.02 A 49 VAL HG2% H 1 1.227 0.02 A 49 VAL C C 13 177.298 0.20 A 49 VAL CA C 13 66.134 0.20 A 49 VAL CB C 13 31.620 0.20 A 49 VAL CG1 C 13 21.434 0.20 A 49 VAL CG2 C 13 23.186 0.20 A 49 VAL N N 15 120.047 0.30 A 50 LEU H H 1 7.981 0.02 A 50 LEU HA H 1 3.898 0.02 A 50 LEU HB2 H 1 1.674 0.02 A 50 LEU HB3 H 1 1.539 0.02 A 50 LEU HD1% H 1 0.823 0.02 A 50 LEU HD2% H 1 0.823 0.02 A 50 LEU HG H 1 1.590 0.02 A 50 LEU C C 13 179.406 0.20 A 50 LEU CA C 13 58.126 0.20 A 50 LEU CB C 13 40.774 0.20 A 50 LEU CD1 C 13 24.462 0.20 A 50 LEU CD2 C 13 23.265 0.20 A 50 LEU CG C 13 26.802 0.20 A 50 LEU N N 15 118.248 0.30 A 51 LYS H H 1 7.724 0.02 A 51 LYS HA H 1 3.968 0.02 A 51 LYS HB2 H 1 1.886 0.02 A 51 LYS HB3 H 1 1.886 0.02 A 51 LYS HD2 H 1 1.663 0.02 A 51 LYS HD3 H 1 1.663 0.02 A 51 LYS HE2 H 1 2.900 0.02 A 51 LYS HE3 H 1 2.987 0.02 A 51 LYS HG2 H 1 1.565 0.02 A 51 LYS HG3 H 1 1.565 0.02 A 51 LYS C C 13 178.728 0.20 A 51 LYS CA C 13 58.319 0.20 A 51 LYS CB C 13 31.620 0.20 A 51 LYS CD C 13 28.110 0.20 A 51 LYS CE C 13 42.082 0.20 A 51 LYS CG C 13 24.875 0.20 A 51 LYS N N 15 117.270 0.30 A 52 ALA H H 1 7.168 0.02 A 52 ALA HA H 1 2.895 0.02 A 52 ALA HB% H 1 1.358 0.02 A 52 ALA C C 13 178.478 0.20 A 52 ALA CA C 13 54.749 0.20 A 52 ALA CB C 13 17.992 0.20 A 52 ALA N N 15 122.898 0.30 A 53 LEU H H 1 8.038 0.02 A 53 LEU HA H 1 4.566 0.02 A 53 LEU HB2 H 1 1.256 0.02 A 53 LEU HB3 H 1 1.738 0.02 A 53 LEU HD1% H 1 0.735 0.02 A 53 LEU HD2% H 1 0.733 0.02 A 53 LEU HG H 1 1.812 0.02 A 53 LEU C C 13 179.421 0.20 A 53 LEU CA C 13 55.633 0.20 A 53 LEU CB C 13 40.567 0.20 A 53 LEU CD1 C 13 21.606 0.20 A 53 LEU CD2 C 13 21.606 0.20 A 53 LEU CG C 13 25.773 0.20 A 53 LEU N N 15 115.526 0.30 A 54 GLU H H 1 8.115 0.02 A 54 GLU HA H 1 3.853 0.02 A 54 GLU HB2 H 1 2.104 0.02 A 54 GLU HB3 H 1 2.014 0.02 A 54 GLU HG2 H 1 2.433 0.02 A 54 GLU HG3 H 1 2.143 0.02 A 54 GLU C C 13 177.785 0.20 A 54 GLU CA C 13 59.632 0.20 A 54 GLU CB C 13 29.349 0.20 A 54 GLU CG C 13 36.444 0.20 A 54 GLU N N 15 117.806 0.30 A 55 ARG H H 1 7.007 0.02 A 55 ARG HA H 1 4.175 0.02 A 55 ARG HB2 H 1 1.737 0.02 A 55 ARG HB3 H 1 1.905 0.02 A 55 ARG HD2 H 1 3.421 0.02 A 55 ARG HD3 H 1 3.037 0.02 A 55 ARG HE H 1 6.761 0.02 A 55 ARG HG2 H 1 1.834 0.02 A 55 ARG HG3 H 1 1.323 0.02 A 55 ARG C C 13 178.787 0.20 A 55 ARG CA C 13 58.009 0.20 A 55 ARG CB C 13 28.867 0.20 A 55 ARG CD C 13 42.288 0.20 A 55 ARG CG C 13 26.733 0.20 A 55 ARG N N 15 117.880 0.30 A 55 ARG NE N 15 85.220 0.30 A 56 THR H H 1 8.361 0.02 A 56 THR HA H 1 3.761 0.02 A 56 THR HB H 1 4.075 0.02 A 56 THR HG2% H 1 0.981 0.02 A 56 THR C C 13 178.979 0.20 A 56 THR CA C 13 66.839 0.20 A 56 THR CB C 13 65.551 0.20 A 56 THR CG2 C 13 22.156 0.20 A 56 THR N N 15 112.234 0.30 A 57 ARG H H 1 9.162 0.02 A 57 ARG HA H 1 4.139 0.02 A 57 ARG HB2 H 1 1.725 0.02 A 57 ARG HB3 H 1 1.931 0.02 A 57 ARG HD2 H 1 3.082 0.02 A 57 ARG HD3 H 1 2.784 0.02 A 57 ARG HE H 1 8.524 0.02 A 57 ARG HG2 H 1 2.167 0.02 A 57 ARG HG3 H 1 2.167 0.02 A 57 ARG C C 13 181.278 0.20 A 57 ARG CA C 13 59.798 0.20 A 57 ARG CB C 13 30.330 0.20 A 57 ARG CD C 13 44.284 0.20 A 57 ARG CG C 13 26.871 0.20 A 57 ARG N N 15 123.229 0.30 A 57 ARG NE N 15 84.780 0.30 A 58 GLN H H 1 7.467 0.02 A 58 GLN HA H 1 4.147 0.02 A 58 GLN HB2 H 1 2.400 0.02 A 58 GLN HB3 H 1 2.278 0.02 A 58 GLN HE21 H 1 7.436 0.02 A 58 GLN HE22 H 1 6.823 0.02 A 58 GLN HG2 H 1 2.478 0.02 A 58 GLN HG3 H 1 2.767 0.02 A 58 GLN C C 13 177.210 0.20 A 58 GLN CA C 13 58.334 0.20 A 58 GLN CB C 13 28.041 0.20 A 58 GLN CG C 13 33.696 0.20 A 58 GLN N N 15 119.776 0.30 A 58 GLN NE2 N 15 111.082 0.30 A 59 LEU H H 1 7.173 0.02 A 59 LEU HA H 1 4.438 0.02 A 59 LEU HB2 H 1 1.892 0.02 A 59 LEU HB3 H 1 1.815 0.02 A 59 LEU HD1% H 1 0.896 0.02 A 59 LEU HD2% H 1 0.896 0.02 A 59 LEU HG H 1 1.696 0.02 A 59 LEU C C 13 175.589 0.20 A 59 LEU CA C 13 53.873 0.20 A 59 LEU CB C 13 41.998 0.20 A 59 LEU CD1 C 13 22.122 0.20 A 59 LEU CD2 C 13 22.122 0.20 A 59 LEU CG C 13 26.665 0.20 A 59 LEU N N 15 118.787 0.30 A 60 ASP H H 1 8.066 0.02 A 60 ASP HA H 1 4.277 0.02 A 60 ASP HB2 H 1 3.062 0.02 A 60 ASP HB3 H 1 2.753 0.02 A 60 ASP C C 13 175.606 0.20 A 60 ASP CA C 13 55.457 0.20 A 60 ASP CB C 13 38.779 0.20 A 60 ASP N N 15 115.825 0.30 A 61 ILE H H 1 7.664 0.02 A 61 ILE HA H 1 4.405 0.02 A 61 ILE HB H 1 1.551 0.02 A 61 ILE HD1% H 1 0.782 0.02 A 61 ILE HG12 H 1 1.643 0.02 A 61 ILE HG13 H 1 0.936 0.02 A 61 ILE HG2% H 1 0.970 0.02 A 61 ILE C C 13 175.677 0.20 A 61 ILE CA C 13 58.531 0.20 A 61 ILE CB C 13 39.048 0.20 A 61 ILE CD1 C 13 13.246 0.20 A 61 ILE CG1 C 13 27.353 0.20 A 61 ILE CG2 C 13 17.297 0.20 A 61 ILE N N 15 120.267 0.30 A 62 PRO HA H 1 4.534 0.02 A 62 PRO HB2 H 1 2.503 0.02 A 62 PRO HB3 H 1 1.976 0.02 A 62 PRO HD2 H 1 4.116 0.02 A 62 PRO HD3 H 1 3.634 0.02 A 62 PRO HG2 H 1 2.072 0.02 A 62 PRO HG3 H 1 2.072 0.02 A 62 PRO C C 13 178.153 0.20 A 62 PRO CA C 13 62.556 0.20 A 62 PRO CB C 13 32.652 0.20 A 62 PRO CD C 13 51.350 0.20 A 62 PRO CG C 13 27.369 0.20 A 63 ASP H H 1 9.120 0.02 A 63 ASP HA H 1 4.206 0.02 A 63 ASP HB2 H 1 2.612 0.02 A 63 ASP HB3 H 1 2.554 0.02 A 63 ASP C C 13 177.180 0.20 A 63 ASP CA C 13 57.510 0.20 A 63 ASP CB C 13 39.742 0.20 A 63 ASP N N 15 126.457 0.30 A 64 GLU H H 1 9.287 0.02 A 64 GLU HA H 1 4.078 0.02 A 64 GLU HB2 H 1 2.003 0.02 A 64 GLU HB3 H 1 2.003 0.02 A 64 GLU HG2 H 1 2.274 0.02 A 64 GLU HG3 H 1 2.274 0.02 A 64 GLU C C 13 177.917 0.20 A 64 GLU CA C 13 58.830 0.20 A 64 GLU CB C 13 28.523 0.20 A 64 GLU CG C 13 36.169 0.20 A 64 GLU N N 15 115.267 0.30 A 65 LYS H H 1 7.572 0.02 A 65 LYS HA H 1 4.373 0.02 A 65 LYS HB2 H 1 1.873 0.02 A 65 LYS HB3 H 1 1.789 0.02 A 65 LYS HD2 H 1 1.602 0.02 A 65 LYS HD3 H 1 1.666 0.02 A 65 LYS HE2 H 1 2.947 0.02 A 65 LYS HE3 H 1 2.947 0.02 A 65 LYS HG2 H 1 1.453 0.02 A 65 LYS HG3 H 1 1.336 0.02 A 65 LYS C C 13 177.652 0.20 A 65 LYS CA C 13 57.129 0.20 A 65 LYS CB C 13 32.377 0.20 A 65 LYS CD C 13 28.729 0.20 A 65 LYS CE C 13 41.600 0.20 A 65 LYS CG C 13 25.288 0.20 A 65 LYS N N 15 118.245 0.30 A 66 THR H H 1 7.706 0.02 A 66 THR HA H 1 3.608 0.02 A 66 THR HB H 1 3.953 0.02 A 66 THR HG2% H 1 1.144 0.02 A 66 THR C C 13 176.443 0.20 A 66 THR CA C 13 66.222 0.20 A 66 THR CB C 13 68.511 0.20 A 66 THR CG2 C 13 23.835 0.20 A 66 THR N N 15 116.775 0.30 A 67 MET H H 1 8.364 0.02 A 67 MET HA H 1 4.431 0.02 A 67 MET HB2 H 1 2.133 0.02 A 67 MET HB3 H 1 2.060 0.02 A 67 MET HE% H 1 1.982 0.02 A 67 MET HG2 H 1 2.722 0.02 A 67 MET HG3 H 1 2.593 0.02 A 67 MET C C 13 174.645 0.20 A 67 MET CA C 13 58.256 0.20 A 67 MET CB C 13 27.628 0.20 A 67 MET CE C 13 15.860 0.20 A 67 MET CG C 13 31.710 0.20 A 67 MET N N 15 117.020 0.30 A 68 PRO HA H 1 4.296 0.02 A 68 PRO HB2 H 1 1.860 0.02 A 68 PRO HB3 H 1 2.316 0.02 A 68 PRO HD2 H 1 3.634 0.02 A 68 PRO HD3 H 1 3.454 0.02 A 68 PRO HG2 H 1 2.010 0.02 A 68 PRO HG3 H 1 2.125 0.02 A 68 PRO C C 13 179.863 0.20 A 68 PRO CA C 13 65.694 0.20 A 68 PRO CB C 13 30.863 0.20 A 68 PRO CD C 13 49.997 0.20 A 68 PRO CG C 13 28.242 0.20 A 69 VAL H H 1 6.633 0.02 A 69 VAL HA H 1 3.602 0.02 A 69 VAL HB H 1 2.034 0.02 A 69 VAL HG1% H 1 0.863 0.02 A 69 VAL HG2% H 1 1.024 0.02 A 69 VAL C C 13 177.180 0.20 A 69 VAL CA C 13 65.335 0.20 A 69 VAL CB C 13 31.183 0.20 A 69 VAL CG1 C 13 22.652 0.20 A 69 VAL CG2 C 13 22.652 0.20 A 69 VAL N N 15 117.927 0.30 A 70 LEU H H 1 8.696 0.02 A 70 LEU HA H 1 3.833 0.02 A 70 LEU HB2 H 1 2.019 0.02 A 70 LEU HB3 H 1 1.357 0.02 A 70 LEU HD1% H 1 1.024 0.02 A 70 LEU HD2% H 1 0.863 0.02 A 70 LEU HG H 1 1.480 0.02 A 70 LEU C C 13 177.711 0.20 A 70 LEU CA C 13 58.246 0.20 A 70 LEU CB C 13 41.802 0.20 A 70 LEU CD1 C 13 24.670 0.20 A 70 LEU CD2 C 13 23.186 0.20 A 70 LEU CG C 13 26.733 0.20 A 70 LEU N N 15 121.026 0.30 A 71 MET H H 1 8.329 0.02 A 71 MET HA H 1 4.129 0.02 A 71 MET HB2 H 1 2.021 0.02 A 71 MET HB3 H 1 2.041 0.02 A 71 MET HE% H 1 1.911 0.02 A 71 MET HG2 H 1 2.638 0.02 A 71 MET HG3 H 1 2.753 0.02 A 71 MET C C 13 178.934 0.20 A 71 MET CA C 13 57.864 0.20 A 71 MET CB C 13 31.620 0.20 A 71 MET CE C 13 20.424 0.20 A 71 MET CG C 13 32.171 0.20 A 71 MET N N 15 114.223 0.30 A 72 LYS H H 1 7.414 0.02 A 72 LYS HA H 1 4.127 0.02 A 72 LYS HB2 H 1 1.995 0.02 A 72 LYS HB3 H 1 1.898 0.02 A 72 LYS HD2 H 1 1.652 0.02 A 72 LYS HD3 H 1 1.652 0.02 A 72 LYS HE2 H 1 2.951 0.02 A 72 LYS HE3 H 1 3.015 0.02 A 72 LYS HG2 H 1 1.364 0.02 A 72 LYS HG3 H 1 1.474 0.02 A 72 LYS C C 13 178.522 0.20 A 72 LYS CA C 13 59.006 0.20 A 72 LYS CB C 13 32.097 0.20 A 72 LYS CD C 13 28.867 0.20 A 72 LYS CE C 13 41.806 0.20 A 72 LYS CG C 13 24.324 0.20 A 72 LYS N N 15 121.108 0.30 A 73 LEU H H 1 8.518 0.02 A 73 LEU HA H 1 4.013 0.02 A 73 LEU HB2 H 1 1.699 0.02 A 73 LEU HB3 H 1 1.416 0.02 A 73 LEU HD1% H 1 0.833 0.02 A 73 LEU HD2% H 1 0.789 0.02 A 73 LEU HG H 1 1.700 0.02 A 73 LEU C C 13 179.848 0.20 A 73 LEU CA C 13 57.430 0.20 A 73 LEU CB C 13 41.806 0.20 A 73 LEU CD1 C 13 24.975 0.20 A 73 LEU CD2 C 13 23.607 0.20 A 73 LEU CG C 13 26.665 0.20 A 73 LEU N N 15 120.323 0.30 A 74 LEU H H 1 8.399 0.02 A 74 LEU HA H 1 3.600 0.02 A 74 LEU HB2 H 1 1.425 0.02 A 74 LEU HB3 H 1 1.345 0.02 A 74 LEU HD1% H 1 0.149 0.02 A 74 LEU HD2% H 1 -0.056 0.02 A 74 LEU HG H 1 1.098 0.02 A 74 LEU C C 13 179.170 0.20 A 74 LEU CA C 13 57.734 0.20 A 74 LEU CB C 13 41.944 0.20 A 74 LEU CD1 C 13 23.526 0.20 A 74 LEU CD2 C 13 22.681 0.20 A 74 LEU CG C 13 26.483 0.20 A 74 LEU N N 15 119.386 0.30 A 75 GLU H H 1 7.730 0.02 A 75 GLU HA H 1 4.001 0.02 A 75 GLU HB2 H 1 2.175 0.02 A 75 GLU HB3 H 1 2.175 0.02 A 75 GLU HG2 H 1 2.184 0.02 A 75 GLU HG3 H 1 2.323 0.02 A 75 GLU C C 13 180.718 0.20 A 75 GLU CA C 13 59.388 0.20 A 75 GLU CB C 13 29.111 0.20 A 75 GLU CG C 13 35.804 0.20 A 75 GLU N N 15 120.060 0.30 A 76 GLU H H 1 8.355 0.02 A 76 GLU HA H 1 4.001 0.02 A 76 GLU HB2 H 1 2.136 0.02 A 76 GLU HB3 H 1 2.018 0.02 A 76 GLU HG2 H 1 2.242 0.02 A 76 GLU HG3 H 1 2.477 0.02 A 76 GLU C C 13 177.711 0.20 A 76 GLU CA C 13 58.839 0.20 A 76 GLU CB C 13 29.470 0.20 A 76 GLU CG C 13 36.163 0.20 A 76 GLU N N 15 121.252 0.30 A 77 ALA H H 1 7.971 0.02 A 77 ALA HA H 1 4.435 0.02 A 77 ALA HB% H 1 1.471 0.02 A 77 ALA C C 13 178.610 0.20 A 77 ALA CA C 13 51.262 0.20 A 77 ALA CB C 13 18.887 0.20 A 77 ALA N N 15 118.984 0.30 A 78 GLY H H 1 7.920 0.02 A 78 GLY HA2 H 1 3.960 0.02 A 78 GLY HA3 H 1 3.870 0.02 A 78 GLY C C 13 176.119 0.20 A 78 GLY CA C 13 46.963 0.20 A 78 GLY N N 15 110.457 0.30 A 79 GLY H H 1 8.844 0.02 A 79 GLY HA2 H 1 4.132 0.02 A 79 GLY HA3 H 1 3.309 0.02 A 79 GLY C C 13 173.157 0.20 A 79 GLY CA C 13 44.896 0.20 A 79 GLY N N 15 105.048 0.30 A 80 ASN H H 1 6.942 0.02 A 80 ASN HA H 1 4.807 0.02 A 80 ASN HB2 H 1 2.856 0.02 A 80 ASN HB3 H 1 3.196 0.02 A 80 ASN HD21 H 1 7.791 0.02 A 80 ASN HD22 H 1 7.142 0.02 A 80 ASN C C 13 175.338 0.20 A 80 ASN CA C 13 52.318 0.20 A 80 ASN CB C 13 38.227 0.20 A 80 ASN N N 15 116.845 0.30 A 80 ASN ND2 N 15 112.414 0.30 A 81 TRP H H 1 8.760 0.02 A 81 TRP HA H 1 4.043 0.02 A 81 TRP HB2 H 1 3.133 0.02 A 81 TRP HB3 H 1 3.350 0.02 A 81 TRP HD1 H 1 7.424 0.02 A 81 TRP HE1 H 1 10.367 0.02 A 81 TRP HE3 H 1 7.547 0.02 A 81 TRP HH2 H 1 6.907 0.02 A 81 TRP HZ2 H 1 7.343 0.02 A 81 TRP HZ3 H 1 6.968 0.02 A 81 TRP C C 13 178.006 0.20 A 81 TRP CA C 13 60.532 0.20 A 81 TRP CB C 13 29.486 0.20 A 81 TRP CD1 C 13 126.535 0.20 A 81 TRP CE3 C 13 119.412 0.20 A 81 TRP CH2 C 13 123.781 0.20 A 81 TRP CZ2 C 13 115.400 0.20 A 81 TRP CZ3 C 13 121.610 0.20 A 81 TRP N N 15 126.207 0.30 A 81 TRP NE1 N 15 130.295 0.30 A 82 SER H H 1 8.426 0.02 A 82 SER HA H 1 4.000 0.02 A 82 SER HB2 H 1 3.885 0.02 A 82 SER HB3 H 1 3.885 0.02 A 82 SER C C 13 175.839 0.20 A 82 SER CA C 13 62.535 0.20 A 82 SER CB C 13 63.685 0.20 A 82 SER N N 15 114.929 0.30 A 83 TYR H H 1 7.696 0.02 A 83 TYR HA H 1 4.316 0.02 A 83 TYR HB2 H 1 2.927 0.02 A 83 TYR HB3 H 1 3.049 0.02 A 83 TYR HD1 H 1 6.982 0.02 A 83 TYR HD2 H 1 6.982 0.02 A 83 TYR HE1 H 1 6.726 0.02 A 83 TYR HE2 H 1 6.726 0.02 A 83 TYR C C 13 176.267 0.20 A 83 TYR CA C 13 59.564 0.20 A 83 TYR CB C 13 38.159 0.20 A 83 TYR CD1 C 13 132.800 0.20 A 83 TYR CD2 C 13 132.800 0.20 A 83 TYR CE1 C 13 117.600 0.20 A 83 TYR CE2 C 13 117.600 0.20 A 83 TYR N N 15 119.746 0.30 A 84 ILE H H 1 7.215 0.02 A 84 ILE HA H 1 3.296 0.02 A 84 ILE HB H 1 1.849 0.02 A 84 ILE HD1% H 1 0.389 0.02 A 84 ILE HG12 H 1 1.401 0.02 A 84 ILE HG13 H 1 0.928 0.02 A 84 ILE HG2% H 1 0.887 0.02 A 84 ILE C C 13 175.412 0.20 A 84 ILE CA C 13 64.151 0.20 A 84 ILE CB C 13 37.922 0.20 A 84 ILE CD1 C 13 12.680 0.20 A 84 ILE CG1 C 13 28.970 0.20 A 84 ILE CG2 C 13 17.705 0.20 A 84 ILE N N 15 119.234 0.30 A 85 LYS H H 1 7.624 0.02 A 85 LYS HA H 1 3.171 0.02 A 85 LYS HB2 H 1 1.477 0.02 A 85 LYS HB3 H 1 1.477 0.02 A 85 LYS HD2 H 1 1.624 0.02 A 85 LYS HD3 H 1 1.624 0.02 A 85 LYS HE2 H 1 2.907 0.02 A 85 LYS HE3 H 1 2.900 0.02 A 85 LYS HG2 H 1 1.319 0.02 A 85 LYS HG3 H 1 1.319 0.02 A 85 LYS C C 13 177.519 0.20 A 85 LYS CA C 13 56.777 0.20 A 85 LYS CB C 13 33.710 0.20 A 85 LYS CD C 13 29.349 0.20 A 85 LYS CE C 13 41.248 0.20 A 85 LYS CG C 13 24.256 0.20 A 85 LYS N N 15 111.760 0.30 A 86 LEU H H 1 6.779 0.02 A 86 LEU HA H 1 3.885 0.02 A 86 LEU HB2 H 1 1.567 0.02 A 86 LEU HB3 H 1 1.695 0.02 A 86 LEU HD1% H 1 0.880 0.02 A 86 LEU HD2% H 1 0.880 0.02 A 86 LEU HG H 1 1.631 0.02 A 86 LEU C C 13 177.343 0.20 A 86 LEU CA C 13 56.073 0.20 A 86 LEU CB C 13 42.086 0.20 A 86 LEU CD1 C 13 24.462 0.20 A 86 LEU CD2 C 13 24.462 0.20 A 86 LEU CG C 13 25.887 0.20 A 86 LEU N N 15 121.402 0.30 A 87 ASP H H 1 9.095 0.02 A 87 ASP HA H 1 4.274 0.02 A 87 ASP HB2 H 1 2.808 0.02 A 87 ASP HB3 H 1 2.586 0.02 A 87 ASP C C 13 177.319 0.20 A 87 ASP CA C 13 54.811 0.20 A 87 ASP CB C 13 38.159 0.20 A 87 ASP N N 15 122.978 0.30 A 88 ASN H H 1 8.844 0.02 A 88 ASN HA H 1 4.403 0.02 A 88 ASN HB2 H 1 2.591 0.02 A 88 ASN HB3 H 1 3.255 0.02 A 88 ASN HD21 H 1 7.029 0.02 A 88 ASN HD22 H 1 7.617 0.02 A 88 ASN CA C 13 53.232 0.20 A 88 ASN CB C 13 36.438 0.20 A 88 ASN N N 15 118.934 0.30 A 88 ASN ND2 N 15 110.016 0.30 A 89 TYR H H 1 7.332 0.02 A 89 TYR HA H 1 4.852 0.02 A 89 TYR HB2 H 1 3.396 0.02 A 89 TYR HB3 H 1 3.225 0.02 A 89 TYR HD1 H 1 6.911 0.02 A 89 TYR HD2 H 1 6.911 0.02 A 89 TYR HE1 H 1 6.861 0.02 A 89 TYR HE2 H 1 6.861 0.02 A 89 TYR HH H 1 9.560 0.02 A 89 TYR C C 13 176.871 0.20 A 89 TYR CA C 13 58.158 0.20 A 89 TYR CB C 13 34.235 0.20 A 89 TYR CD1 C 13 133.400 0.20 A 89 TYR CD2 C 13 133.400 0.20 A 89 TYR CE1 C 13 117.200 0.20 A 89 TYR CE2 C 13 117.200 0.20 A 89 TYR N N 15 109.982 0.30 A 90 THR H H 1 7.507 0.02 A 90 THR HA H 1 3.832 0.02 A 90 THR HB H 1 4.078 0.02 A 90 THR HG2% H 1 1.208 0.02 A 90 THR C C 13 174.751 0.20 A 90 THR CA C 13 68.452 0.20 A 90 THR CB C 13 69.333 0.20 A 90 THR CG2 C 13 20.883 0.20 A 90 THR N N 15 117.043 0.30 A 91 ALA H H 1 9.605 0.02 A 91 ALA HA H 1 4.095 0.02 A 91 ALA HB% H 1 1.217 0.02 A 91 ALA C C 13 180.688 0.20 A 91 ALA CA C 13 54.929 0.20 A 91 ALA CB C 13 18.405 0.20 A 91 ALA N N 15 120.752 0.30 A 92 LEU H H 1 6.919 0.02 A 92 LEU HA H 1 4.083 0.02 A 92 LEU HB2 H 1 2.402 0.02 A 92 LEU HB3 H 1 1.310 0.02 A 92 LEU HD1% H 1 0.883 0.02 A 92 LEU HD2% H 1 0.888 0.02 A 92 LEU HG H 1 1.519 0.02 A 92 LEU C C 13 176.296 0.20 A 92 LEU CA C 13 57.017 0.20 A 92 LEU CB C 13 42.683 0.20 A 92 LEU CD1 C 13 22.980 0.20 A 92 LEU CD2 C 13 22.980 0.20 A 92 LEU CG C 13 26.964 0.20 A 92 LEU N N 15 116.482 0.30 A 93 VAL H H 1 7.911 0.02 A 93 VAL HA H 1 3.158 0.02 A 93 VAL HB H 1 2.061 0.02 A 93 VAL HG1% H 1 0.752 0.02 A 93 VAL HG2% H 1 0.835 0.02 A 93 VAL C C 13 177.343 0.20 A 93 VAL CA C 13 67.471 0.20 A 93 VAL CB C 13 31.574 0.20 A 93 VAL CG1 C 13 21.916 0.20 A 93 VAL CG2 C 13 21.916 0.20 A 93 VAL N N 15 119.151 0.30 A 94 ASP H H 1 8.729 0.02 A 94 ASP HA H 1 4.409 0.02 A 94 ASP HB2 H 1 2.568 0.02 A 94 ASP HB3 H 1 2.677 0.02 A 94 ASP C C 13 179.406 0.20 A 94 ASP CA C 13 57.187 0.20 A 94 ASP CB C 13 39.948 0.20 A 94 ASP N N 15 117.315 0.30 A 95 ALA H H 1 7.553 0.02 A 95 ALA HA H 1 4.187 0.02 A 95 ALA HB% H 1 1.526 0.02 A 95 ALA C C 13 180.305 0.20 A 95 ALA CA C 13 54.870 0.20 A 95 ALA CB C 13 18.612 0.20 A 95 ALA N N 15 121.649 0.30 A 96 ILE H H 1 8.175 0.02 A 96 ILE HA H 1 3.634 0.02 A 96 ILE HB H 1 1.851 0.02 A 96 ILE HD1% H 1 0.844 0.02 A 96 ILE HG12 H 1 0.923 0.02 A 96 ILE HG13 H 1 1.438 0.02 A 96 ILE HG2% H 1 0.690 0.02 A 96 ILE C C 13 178.492 0.20 A 96 ILE CA C 13 65.483 0.20 A 96 ILE CB C 13 38.227 0.20 A 96 ILE CD1 C 13 12.535 0.20 A 96 ILE CG1 C 13 29.000 0.20 A 96 ILE CG2 C 13 17.134 0.20 A 96 ILE N N 15 120.722 0.30 A 97 TYR H H 1 8.080 0.02 A 97 TYR HA H 1 4.547 0.02 A 97 TYR HB2 H 1 2.998 0.02 A 97 TYR HB3 H 1 3.210 0.02 A 97 TYR HD1 H 1 7.170 0.02 A 97 TYR HD2 H 1 7.170 0.02 A 97 TYR HE1 H 1 6.728 0.02 A 97 TYR HE2 H 1 6.728 0.02 A 97 TYR C C 13 177.759 0.20 A 97 TYR CA C 13 58.669 0.20 A 97 TYR CB C 13 36.920 0.20 A 97 TYR CD1 C 13 132.000 0.20 A 97 TYR CD2 C 13 132.000 0.20 A 97 TYR CE1 C 13 117.700 0.20 A 97 TYR CE2 C 13 117.700 0.20 A 97 TYR N N 15 118.055 0.30 A 98 SER H H 1 7.986 0.02 A 98 SER HA H 1 4.417 0.02 A 98 SER HB2 H 1 4.020 0.02 A 98 SER HB3 H 1 4.020 0.02 A 98 SER CA C 13 60.302 0.20 A 98 SER CB C 13 63.280 0.20 A 98 SER N N 15 114.959 0.30 A 99 VAL H H 1 7.602 0.02 A 99 VAL HA H 1 4.031 0.02 A 99 VAL HB H 1 2.206 0.02 A 99 VAL HG1% H 1 0.944 0.02 A 99 VAL HG2% H 1 1.041 0.02 A 99 VAL C C 13 176.989 0.20 A 99 VAL CA C 13 63.846 0.20 A 99 VAL CB C 13 31.827 0.20 A 99 VAL CG1 C 13 21.194 0.20 A 99 VAL N N 15 120.860 0.30 A 100 GLU H H 1 8.100 0.02 A 100 GLU HA H 1 4.238 0.02 A 100 GLU HB2 H 1 2.111 0.02 A 100 GLU HB3 H 1 2.051 0.02 A 100 GLU HG2 H 1 2.329 0.02 A 100 GLU HG3 H 1 2.293 0.02 A 100 GLU C C 13 176.930 0.20 A 100 GLU CA C 13 57.070 0.20 A 100 GLU CB C 13 29.968 0.20 A 100 GLU CG C 13 35.887 0.20 A 100 GLU N N 15 122.467 0.30 A 101 ASP H H 1 8.242 0.02 A 101 ASP HA H 1 4.553 0.02 A 101 ASP HB2 H 1 2.721 0.02 A 101 ASP HB3 H 1 2.676 0.02 A 101 ASP C C 13 176.883 0.20 A 101 ASP CA C 13 55.090 0.20 A 101 ASP CB C 13 41.049 0.20 A 101 ASP N N 15 120.954 0.30 A 102 GLU H H 1 8.342 0.02 A 102 GLU HA H 1 4.181 0.02 A 102 GLU HB2 H 1 2.059 0.02 A 102 GLU HB3 H 1 2.027 0.02 A 102 GLU HG2 H 1 2.228 0.02 A 102 GLU HG3 H 1 2.292 0.02 A 102 GLU C C 13 176.879 0.20 A 102 GLU CA C 13 57.451 0.20 A 102 GLU CB C 13 29.693 0.20 A 102 GLU CG C 13 35.818 0.20 A 102 GLU N N 15 121.339 0.30 A 103 ASN H H 1 8.397 0.02 A 103 ASN HA H 1 4.682 0.02 A 103 ASN HB2 H 1 2.766 0.02 A 103 ASN HB3 H 1 2.869 0.02 A 103 ASN HD21 H 1 7.662 0.02 A 103 ASN HD22 H 1 6.924 0.02 A 103 ASN C C 13 175.426 0.20 A 103 ASN CA C 13 53.491 0.20 A 103 ASN CB C 13 38.434 0.20 A 103 ASN N N 15 118.748 0.30 A 103 ASN ND2 N 15 113.270 0.30 A 104 LYS H H 1 8.057 0.02 A 104 LYS HA H 1 4.277 0.02 A 104 LYS HB2 H 1 1.860 0.02 A 104 LYS HB3 H 1 1.783 0.02 A 104 LYS HD2 H 1 1.662 0.02 A 104 LYS HD3 H 1 1.662 0.02 A 104 LYS HE2 H 1 2.983 0.02 A 104 LYS HE3 H 1 2.983 0.02 A 104 LYS HG2 H 1 1.383 0.02 A 104 LYS HG3 H 1 1.468 0.02 A 104 LYS C C 13 176.841 0.20 A 104 LYS CA C 13 56.571 0.20 A 104 LYS CB C 13 32.515 0.20 A 104 LYS CD C 13 29.142 0.20 A 104 LYS CE C 13 41.738 0.20 A 104 LYS CG C 13 24.393 0.20 A 104 LYS N N 15 121.455 0.30 A 105 GLN H H 1 8.369 0.02 A 105 GLN HA H 1 4.348 0.02 A 105 GLN HB2 H 1 2.136 0.02 A 105 GLN HB3 H 1 2.014 0.02 A 105 GLN HE21 H 1 6.833 0.02 A 105 GLN HE22 H 1 7.527 0.02 A 105 GLN HG2 H 1 2.376 0.02 A 105 GLN HG3 H 1 2.376 0.02 A 105 GLN C C 13 176.178 0.20 A 105 GLN CA C 13 55.916 0.20 A 105 GLN CB C 13 29.280 0.20 A 105 GLN CG C 13 33.478 0.20 A 105 GLN N N 15 121.145 0.30 A 105 GLN NE2 N 15 112.161 0.30 A 106 SER H H 1 8.326 0.02 A 106 SER HA H 1 4.438 0.02 A 106 SER HB2 H 1 3.865 0.02 A 106 SER HB3 H 1 3.865 0.02 A 106 SER C C 13 174.586 0.20 A 106 SER CA C 13 58.302 0.20 A 106 SER CB C 13 63.762 0.20 A 106 SER N N 15 116.922 0.30 A 107 GLU H H 1 8.467 0.02 A 107 GLU HA H 1 4.328 0.02 A 107 GLU HB2 H 1 2.085 0.02 A 107 GLU HB3 H 1 1.969 0.02 A 107 GLU HG2 H 1 2.266 0.02 A 107 GLU HG3 H 1 2.266 0.02 A 107 GLU C C 13 176.886 0.20 A 107 GLU CA C 13 56.777 0.20 A 107 GLU CB C 13 30.106 0.20 A 107 GLU CG C 13 35.980 0.20 A 107 GLU N N 15 122.942 0.30 A 108 GLY H H 1 8.432 0.02 A 108 GLY HA2 H 1 3.988 0.02 A 108 GLY HA3 H 1 3.988 0.02 A 108 GLY C C 13 173.371 0.20 A 108 GLY CA C 13 45.248 0.20 A 108 GLY N N 15 110.489 0.30 A 109 SER H H 1 7.877 0.02 A 109 SER HA H 1 4.277 0.02 A 109 SER HB2 H 1 3.840 0.02 A 109 SER HB3 H 1 3.840 0.02 A 109 SER CA C 13 59.564 0.20 A 109 SER CB C 13 64.794 0.20 A 109 SER N N 15 121.116 0.30 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 84 ILE HG2% A 84 ILE HD1% 1.0 . 2.95 2 2 A 84 ILE HD1% A 74 LEU HD1% 1.0 . 3.78 3 3 A 84 ILE HD1% A 74 LEU HD2% 1.0 . 3.78 4 4 A 84 ILE HD1% A 70 LEU HB2 1.0 . 5.50 5 5 A 84 ILE HD1% A 84 ILE HB 1.0 . 3.55 6 6 A 84 ILE HD1% A 73 LEU HB2 1.0 . 3.47 7 7 A 69 VAL HB A 96 ILE HD1% 1.0 . 5.50 8 8 A 84 ILE HD1% A 84 ILE HA 1.0 . 4.02 9 9 A 84 ILE HD1% A 74 LEU HA 1.0 . 3.45 10 10 A 84 ILE HD1% A 70 LEU HA 1.0 . 5.33 11 11 A 84 ILE HD1% A 81 TRP HA 1.0 . 3.52 12 12 A 84 ILE HD1% A 80 ASN H 1.0 . 4.21 13 13 A 84 ILE HD1% A 81 TRP HE3 1.0 . 4.41 14 14 A 61 ILE HG2% A 61 ILE HD1% 1.0 . 2.80 15 15 A 61 ILE HD1% A 56 THR HA 1.0 . 3.81 16 16 A 61 ILE HD1% A 56 THR HB 1.0 . 3.60 17 17 A 61 ILE HD1% A 61 ILE HA 1.0 . 3.95 18 18 A 84 ILE HD1% A 83 TYR HE2 1.0 . 5.23 19 19 A 61 ILE HD1% A 62 PRO HD2 1.0 . 5.31 20 20 A 61 ILE HD1% A 66 THR HA 1.0 . 5.50 21 21 A 61 ILE HD1% A 96 ILE HA 1.0 . 5.50 22 22 A 61 ILE HD1% A 61 ILE HB 1.0 . 3.21 23 23 A 61 ILE HD1% A 65 LYS HG2 1.0 . 5.37 24 24 A 61 ILE HD1% A 66 THR HG2% 1.0 . 4.25 25 25 A 67 MET HE% A 53 LEU HD1% 1.0 . 4.71 26 26 A 67 MET HE% A 53 LEU HD2% 1.0 . 4.71 27 27 A 67 MET HE% A 49 VAL HG1% 1.0 . 3.34 28 28 A 67 MET HE% A 70 LEU HD2% 1.0 . 3.86 29 29 A 67 MET HE% A 70 LEU HD1% 1.0 . 3.86 30 30 A 67 MET HE% A 49 VAL HG2% 1.0 . 3.73 31 31 A 67 MET HE% A 67 MET HG2 1.0 . 3.65 32 32 A 67 MET HE% A 67 MET HG3 1.0 . 3.41 33 33 A 67 MET HE% A 68 PRO HD2 1.0 . 5.30 34 34 A 67 MET HE% A 49 VAL HA 1.0 . 5.27 35 35 A 67 MET HE% A 68 PRO HD3 1.0 . 5.50 36 36 A 67 MET HE% A 67 MET HA 1.0 . 3.88 37 37 A 67 MET HE% A 45 LYS HA 1.0 . 4.47 38 38 A 65 LYS HG2 A 96 ILE HG2% 1.0 . 4.15 39 39 A 61 ILE HB A 96 ILE HG2% 1.0 . 4.41 40 40 A 84 ILE HD1% A 73 LEU HD1% 1.0 . 3.39 41 41 A 61 ILE HD1% A 96 ILE HB 1.0 . 3.32 42 42 A 22 ILE HG2% A 22 ILE HG12 1.0 . 3.32 43 43 A 61 ILE HG2% A 61 ILE HG13 1.0 . 3.80 44 44 A 61 ILE HG2% A 65 LYS HD2 1.0 . 4.00 45 45 A 96 ILE HG2% A 61 ILE HG13 1.0 . 4.29 46 46 A 96 ILE HG2% A 65 LYS HD2 1.0 . 4.53 47 47 A 96 ILE HD1% A 96 ILE HG2% 1.0 . 2.77 48 48 A 49 VAL HG1% A 52 ALA HB% 1.0 . 3.66 49 49 A 52 ALA HB% A 70 LEU HD2% 1.0 . 3.99 50 50 A 61 ILE HD1% A 56 THR HG2% 1.0 . 3.83 51 51 A 56 THR HG2% A 92 LEU HD2% 1.0 . 2.58 52 52 A 56 THR HG2% A 92 LEU HD1% 1.0 . 2.98 53 53 A 66 THR HG2% A 56 THR HG2% 1.0 . 3.12 54 54 A 73 LEU HD2% A 95 ALA HB% 1.0 . 3.64 55 55 A 85 LYS HB2 A 85 LYS HG3 1.0 . 2.71 56 56 A 22 ILE HB A 22 ILE HD1% 1.0 . 3.10 57 57 A 85 LYS HB3 A 85 LYS HD2 1.0 . 2.60 58 58 A 96 ILE HD1% A 65 LYS HD2 1.0 . 4.03 59 59 A 28 THR HG2% A 27 LEU HD1% 1.0 . 4.45 60 60 A 74 LEU HB2 A 74 LEU HD1% 1.0 . 3.58 61 61 A 74 LEU HB3 A 74 LEU HD1% 1.0 . 3.60 62 62 A 84 ILE HG2% A 74 LEU HD1% 1.0 . 3.57 63 63 A 74 LEU HB3 A 74 LEU HD2% 1.0 . 3.60 64 64 A 59 LEU HD1% A 59 LEU HB2 1.0 . 4.18 65 65 A 59 LEU HB2 A 59 LEU HD2% 1.0 . 4.18 66 66 A 28 THR HG2% A 27 LEU HD2% 1.0 . 4.45 67 67 A 84 ILE HD1% A 77 ALA HB% 1.0 . 3.69 68 68 A 52 ALA HB% A 56 THR HG2% 1.0 . 3.84 69 69 A 52 ALA HB% A 70 LEU HD1% 1.0 . 3.99 70 70 A 61 ILE HG2% A 96 ILE HG2% 1.0 . 3.13 71 71 A 61 ILE HG2% A 96 ILE HB 1.0 . 4.15 72 72 A 61 ILE HG2% A 65 LYS HB3 1.0 . 4.47 73 73 A 22 ILE HG2% A 22 ILE HG13 1.0 . 3.32 74 74 A 52 ALA HB% A 53 LEU HG 1.0 . 4.25 75 75 A 66 THR HG2% A 52 ALA HB% 1.0 . 3.60 76 76 A 95 ALA HB% A 69 VAL HG2% 1.0 . 3.79 77 77 A 40 ALA HB% A 43 THR HG2% 1.0 . 3.95 78 78 A 28 THR HG2% A 27 LEU HG 1.0 . 5.50 79 79 A 43 THR HG2% A 42 LEU HB2 1.0 . 4.38 80 80 A 61 ILE HB A 56 THR HG2% 1.0 . 4.32 81 81 A 56 THR HG2% A 92 LEU HG 1.0 . 4.77 82 82 A 84 ILE HG2% A 74 LEU HD2% 1.0 . 3.57 83 83 A 74 LEU HB2 A 74 LEU HD2% 1.0 . 3.58 84 84 A 69 VAL HG2% A 65 LYS HB2 1.0 . 5.50 85 85 A 84 ILE HD1% A 73 LEU HD2% 1.0 . 4.40 86 86 A 66 THR HG2% A 70 LEU HG 1.0 . 4.33 87 87 A 66 THR HG2% A 53 LEU HG 1.0 . 4.69 88 88 A 73 LEU HD1% A 73 LEU HB3 1.0 . 3.49 89 89 A 84 ILE HD1% A 74 LEU HG 1.0 . 4.31 90 90 A 69 VAL HG2% A 68 PRO HG3 1.0 . 4.80 91 91 A 96 ILE HB A 69 VAL HG2% 1.0 . 5.50 92 92 A 53 LEU HB3 A 53 LEU HD1% 1.0 . 3.87 93 93 A 53 LEU HB3 A 53 LEU HD2% 1.0 . 3.87 94 94 A 50 LEU HB2 A 50 LEU HD1% 1.0 . 2.77 95 95 A 50 LEU HD1% A 50 LEU HB3 1.0 . 2.96 96 96 A 50 LEU HB3 A 50 LEU HD2% 1.0 . 3.12 97 97 A 66 THR HG2% A 70 LEU HB3 1.0 . 3.52 98 98 A 70 LEU HB3 A 70 LEU HD1% 1.0 . 3.59 99 99 A 70 LEU HB3 A 70 LEU HD2% 1.0 . 3.59 100 100 A 73 LEU HD2% A 73 LEU HB3 1.0 . 3.25 101 101 A 96 ILE HD1% A 65 LYS HE2 1.0 . 3.96 102 102 A 96 ILE HD1% A 65 LYS HE3 1.0 . 3.96 103 103 A 61 ILE HD1% A 59 LEU HB2 1.0 . 4.06 104 104 A 61 ILE HD1% A 59 LEU HB3 1.0 . 4.06 105 105 A 73 LEU HB2 A 73 LEU HD1% 1.0 . 2.74 106 106 A 57 ARG HB2 A 57 ARG HD3 1.0 . 3.93 107 107 A 57 ARG HD2 A 57 ARG HB2 1.0 . 3.93 108 108 A 61 ILE HG2% A 62 PRO HD3 1.0 . 3.77 109 109 A 62 PRO HD2 A 61 ILE HG12 1.0 . 4.15 110 110 A 59 LEU HA A 59 LEU HD2% 1.0 . 4.10 111 111 A 59 LEU HA A 59 LEU HG 1.0 . 3.93 112 112 A 42 LEU HA A 42 LEU HD2% 1.0 . 4.44 113 113 A 42 LEU HA A 42 LEU HG 1.0 . 3.89 114 114 A 92 LEU HD1% A 92 LEU HA 1.0 . 3.54 115 115 A 95 ALA HB% A 92 LEU HA 1.0 . 3.27 116 116 A 74 LEU HA A 74 LEU HD2% 1.0 . 3.80 117 117 A 73 LEU HD2% A 73 LEU HA 1.0 . 2.84 118 118 A 72 LYS HA A 72 LYS HG2 1.0 . 4.01 119 119 A 70 LEU HA A 73 LEU HG 1.0 . 3.19 120 120 A 15 VAL HA A 15 VAL HG1% 1.0 . 3.60 121 120 A 15 VAL HA A 15 VAL HG2% 1.0 . 3.60 122 121 A 83 TYR HA A 86 LEU HB3 1.0 . 3.85 123 122 A 50 LEU HD1% A 47 GLU HA 1.0 . 2.95 124 123 A 22 ILE HG2% A 22 ILE HA 1.0 . 3.55 125 124 A 22 ILE HD1% A 22 ILE HA 1.0 . 3.91 126 125 A 43 THR HG2% A 43 THR HA 1.0 . 3.46 127 126 A 31 VAL HA A 31 VAL HG1% 1.0 . 3.61 128 127 A 31 VAL HA A 31 VAL HG2% 1.0 . 4.09 129 128 A 99 VAL HA A 99 VAL HG2% 1.0 . 3.41 130 129 A 99 VAL HA A 99 VAL HG1% 1.0 . 3.41 131 130 A 69 VAL HG2% A 69 VAL HA 1.0 . 2.87 132 131 A 49 VAL HG1% A 49 VAL HA 1.0 . 2.54 133 132 A 96 ILE HA A 96 ILE HG2% 1.0 . 3.22 134 133 A 95 ALA HB% A 69 VAL HA 1.0 . 4.36 135 134 A 96 ILE HA A 95 ALA HB% 1.0 . 4.80 136 135 A 49 VAL HA A 52 ALA HB% 1.0 . 3.67 137 136 A 66 THR HA A 65 LYS HG2 1.0 . 4.21 138 137 A 66 THR HA A 66 THR HG2% 1.0 . 3.37 139 138 A 56 THR HA A 56 THR HG2% 1.0 . 3.45 140 139 A 56 THR HA A 92 LEU HD1% 1.0 . 4.06 141 140 A 93 VAL HA A 93 VAL HG1% 1.0 . 3.32 142 141 A 90 THR HA A 93 VAL HG2% 1.0 . 4.30 143 142 A 96 ILE HD1% A 66 THR HB 1.0 . 5.21 144 143 A 93 VAL HG1% A 90 THR HA 1.0 . 4.48 145 144 A 56 THR HG2% A 66 THR HB 1.0 . 4.59 146 145 A 56 THR HA A 55 ARG HG3 1.0 . 4.30 147 146 A 56 THR HA A 59 LEU HG 1.0 . 4.83 148 147 A 56 THR HA A 61 ILE HG13 1.0 . 5.16 149 148 A 56 THR HA A 61 ILE HB 1.0 . 4.34 150 149 A 27 LEU HG A 28 THR HA 1.0 . 5.50 151 150 A 43 THR HA A 42 LEU HB3 1.0 . 5.50 152 151 A 84 ILE HB A 81 TRP HA 1.0 . 3.64 153 152 A 81 TRP HA A 84 ILE HG13 1.0 . 4.06 154 153 A 48 LYS HA A 51 LYS HG2 1.0 . 5.07 155 154 A 48 LYS HA A 51 LYS HG3 1.0 . 5.07 156 155 A 50 LEU HA A 53 LEU HB2 1.0 . 4.09 157 156 A 84 ILE HG2% A 85 LYS HA 1.0 . 4.54 158 157 A 85 LYS HD2 A 85 LYS HA 1.0 . 4.94 159 158 A 52 ALA HA A 55 ARG HB3 1.0 . 4.83 160 159 A 92 LEU HD2% A 52 ALA HA 1.0 . 4.96 161 160 A 62 PRO HD3 A 65 LYS HD3 1.0 . 4.22 162 161 A 57 ARG HB3 A 57 ARG HD3 1.0 . 3.93 163 162 A 79 GLY HA3 A 74 LEU HD2% 1.0 . 5.34 164 163 A 79 GLY HA3 A 74 LEU HD1% 1.0 . 5.34 165 164 A 55 ARG HB2 A 55 ARG HD3 1.0 . 4.10 166 165 A 92 LEU HD2% A 55 ARG HD3 1.0 . 4.84 167 166 A 92 LEU HD2% A 55 ARG HD2 1.0 . 3.69 168 167 A 83 TYR HB3 A 84 ILE HG12 1.0 . 5.50 169 168 A 92 LEU HD2% A 89 TYR HB2 1.0 . 3.95 170 169 A 92 LEU HD2% A 89 TYR HB3 1.0 . 3.95 171 170 A 84 ILE HG2% A 85 LYS HB3 1.0 . 4.41 172 171 A 96 ILE HG2% A 65 LYS HB3 1.0 . 5.39 173 172 A 96 ILE HG2% A 65 LYS HB2 1.0 . 4.82 174 173 A 67 MET HG3 A 53 LEU HD1% 1.0 . 5.50 175 174 A 67 MET HG2 A 53 LEU HD1% 1.0 . 4.55 176 175 A 67 MET HG2 A 53 LEU HD2% 1.0 . 4.55 177 176 A 43 THR HG2% A 41 MET HB2 1.0 . 5.50 178 177 A 96 ILE HD1% A 65 LYS HB3 1.0 . 4.48 179 178 A 96 ILE HD1% A 65 LYS HB2 1.0 . 3.78 180 179 A 69 VAL HG2% A 68 PRO HB2 1.0 . 4.47 181 180 A 49 VAL HG1% A 67 MET HB3 1.0 . 5.50 182 181 A 96 ILE HG2% A 65 LYS HG3 1.0 . 4.77 183 182 A 77 ALA HB% A 74 LEU HD1% 1.0 . 5.50 184 183 A 77 ALA HB% A 74 LEU HD2% 1.0 . 5.50 185 184 A 92 LEU HD1% A 93 VAL HA 1.0 . 3.24 186 185 A 69 VAL HA A 69 VAL HG1% 1.0 . 3.01 187 186 A 49 VAL HG2% A 49 VAL HA 1.0 . 3.33 188 187 A 64 GLU HA A 64 GLU HB3 1.0 . 2.66 189 188 A 54 GLU HA A 54 GLU HG2 1.0 . 3.81 190 189 A 75 GLU HA A 75 GLU HG3 1.0 . 3.90 191 190 A 54 GLU HA A 57 ARG HD2 1.0 . 4.36 192 191 A 54 GLU HA A 57 ARG HD3 1.0 . 4.36 193 192 A 64 GLU HA A 64 GLU HG2 1.0 . 3.96 194 193 A 64 GLU HA A 64 GLU HG3 1.0 . 3.96 195 194 A 55 ARG HA A 58 GLN HG2 1.0 . 3.96 196 195 A 58 GLN HG2 A 58 GLN HA 1.0 . 4.18 197 196 A 55 ARG HD3 A 55 ARG HA 1.0 . 3.55 198 197 A 69 VAL HB A 70 LEU HA 1.0 . 4.71 199 198 A 91 ALA HA A 94 ASP HB2 1.0 . 4.19 200 199 A 68 PRO HD3 A 67 MET HB2 1.0 . 3.32 201 200 A 68 PRO HD2 A 67 MET HB2 1.0 . 3.66 202 201 A 31 VAL HB A 34 ASP HB3 1.0 . 4.37 203 202 A 31 VAL HB A 34 ASP HB2 1.0 . 5.14 204 203 A 96 ILE HB A 93 VAL HA 1.0 . 3.80 205 204 A 15 VAL HB A 16 PRO HD2 1.0 . 3.43 206 205 A 69 VAL HA A 72 LYS HB3 1.0 . 3.41 207 206 A 85 LYS HD2 A 81 TRP HB2 1.0 . 4.89 208 207 A 68 PRO HD3 A 67 MET HB3 1.0 . 2.97 209 208 A 50 LEU HD1% A 47 GLU HB2 1.0 . 5.47 210 209 A 50 LEU HD1% A 47 GLU HB3 1.0 . 5.47 211 210 A 84 ILE HB A 73 LEU HD1% 1.0 . 4.66 212 211 A 74 LEU HA A 74 LEU HD1% 1.0 . 3.80 213 212 A 90 THR HG2% A 87 ASP HB2 1.0 . 3.99 214 213 A 77 ALA HB% A 80 ASN HB3 1.0 . 3.72 215 214 A 77 ALA HB% A 80 ASN HB2 1.0 . 3.98 216 215 A 61 ILE HG2% A 62 PRO HD2 1.0 . 3.56 217 216 A 84 ILE HG2% A 84 ILE HA 1.0 . 3.48 218 217 A 61 ILE HG2% A 62 PRO HG2 1.0 . 4.20 219 218 A 96 ILE HG2% A 93 VAL HA 1.0 . 4.90 220 219 A 96 ILE HG2% A 100 GLU HG2 1.0 . 5.49 221 220 A 96 ILE HG2% A 100 GLU HG3 1.0 . 5.49 222 221 A 96 ILE HG2% A 99 VAL HB 1.0 . 5.50 223 222 A 69 VAL HB A 95 ALA HB% 1.0 . 4.19 224 223 A 40 ALA HB% A 41 MET HG3 1.0 . 5.38 225 224 A 74 LEU HA A 77 ALA HB% 1.0 . 3.39 226 225 A 77 ALA HB% A 83 TYR HB2 1.0 . 5.26 227 226 A 77 ALA HB% A 83 TYR HB3 1.0 . 4.47 228 227 A 77 ALA HB% A 79 GLY HA3 1.0 . 5.50 229 228 A 84 ILE HA A 77 ALA HB% 1.0 . 5.50 230 229 A 90 THR HG2% A 93 VAL HB 1.0 . 4.03 231 230 A 56 THR HG2% A 55 ARG HG3 1.0 . 4.39 232 231 A 70 LEU HB2 A 74 LEU HD2% 1.0 . 5.50 233 232 A 49 VAL HG2% A 50 LEU HG 1.0 . 5.31 234 233 A 70 LEU HB2 A 74 LEU HD1% 1.0 . 5.50 235 234 A 66 THR HG2% A 67 MET HG2 1.0 . 5.50 236 235 A 69 VAL HB A 66 THR HG2% 1.0 . 3.90 237 236 A 66 THR HA A 65 LYS HG3 1.0 . 4.28 238 237 A 96 ILE HA A 65 LYS HG3 1.0 . 4.67 239 238 A 62 PRO HD2 A 65 LYS HG2 1.0 . 4.84 240 239 A 74 LEU HA A 74 LEU HG 1.0 . 3.93 241 240 A 55 ARG HG2 A 89 TYR HB2 1.0 . 4.38 242 241 A 92 LEU HG A 93 VAL HB 1.0 . 3.94 243 242 A 84 ILE HA A 84 ILE HG13 1.0 . 3.89 244 243 A 84 ILE HA A 84 ILE HG12 1.0 . 3.74 245 244 A 57 ARG HD2 A 57 ARG HB3 1.0 . 3.93 246 245 A 57 ARG HA A 57 ARG HD3 1.0 . 5.50 247 246 A 98 SER HA A 101 ASP HB3 1.0 . 4.24 248 247 A 68 PRO HA A 71 MET HG2 1.0 . 4.88 249 248 A 68 PRO HA A 71 MET HG3 1.0 . 4.88 250 249 A 82 SER HA A 82 SER HB2 1.0 . 2.92 251 249 A 82 SER HA A 82 SER HB3 1.0 . 2.92 252 250 A 61 ILE HA A 62 PRO HD2 1.0 . 2.94 253 251 A 76 GLU HA A 76 GLU HB3 1.0 . 2.93 254 252 A 73 LEU HD1% A 73 LEU HA 1.0 . 3.99 255 253 A 42 LEU HA A 42 LEU HD1% 1.0 . 4.44 256 254 A 86 LEU HA A 86 LEU HD1% 1.0 . 4.00 257 255 A 86 LEU HA A 86 LEU HD2% 1.0 . 4.00 258 256 A 90 THR HA A 90 THR HG2% 1.0 . 3.31 259 257 A 43 THR HG2% A 40 ALA HA 1.0 . 3.47 260 258 A 28 THR HG2% A 28 THR HA 1.0 . 3.00 261 259 A 40 ALA HB% A 37 MET HA 1.0 . 4.27 262 260 A 40 ALA HB% A 41 MET HA 1.0 . 4.55 263 261 A 61 ILE HG2% A 61 ILE HA 1.0 . 3.50 264 262 A 96 ILE HG2% A 97 TYR HA 1.0 . 4.43 265 263 A 61 ILE HG2% A 56 THR HB 1.0 . 3.77 266 264 A 84 ILE HG2% A 70 LEU HA 1.0 . 5.50 267 265 A 84 ILE HG2% A 81 TRP HA 1.0 . 3.65 268 266 A 77 ALA HB% A 73 LEU HA 1.0 . 5.50 269 267 A 43 THR HG2% A 44 ASN HA 1.0 . 4.42 270 268 A 79 GLY HA2 A 74 LEU HD2% 1.0 . 4.59 271 269 A 81 TRP HA A 74 LEU HD2% 1.0 . 5.50 272 270 A 56 THR HB A 66 THR HG2% 1.0 . 4.00 273 271 A 66 THR HG2% A 67 MET HA 1.0 . 3.99 274 272 A 66 THR HG2% A 53 LEU HA 1.0 . 4.17 275 273 A 72 LYS HA A 72 LYS HG3 1.0 . 4.01 276 274 A 65 LYS HG3 A 65 LYS HA 1.0 . 3.72 277 275 A 47 GLU HA A 50 LEU HG 1.0 . 3.46 278 276 A 50 LEU HA A 50 LEU HG 1.0 . 3.82 279 277 A 73 LEU HA A 73 LEU HG 1.0 . 3.74 280 278 A 61 ILE HG13 A 57 ARG HA 1.0 . 4.64 281 279 A 55 ARG HA A 58 GLN HB2 1.0 . 3.77 282 280 A 65 LYS HD2 A 62 PRO HD3 1.0 . 4.35 283 281 A 90 THR HA A 93 VAL HB 1.0 . 3.36 284 282 A 67 MET HG2 A 67 MET HA 1.0 . 3.76 285 283 A 67 MET HG3 A 67 MET HA 1.0 . 4.03 286 284 A 55 ARG HA A 58 GLN HG3 1.0 . 3.78 287 285 A 58 GLN HA A 58 GLN HG3 1.0 . 4.16 288 286 A 15 VAL HB A 16 PRO HD3 1.0 . 3.43 289 287 A 81 TRP HA A 85 LYS HB3 1.0 . 4.51 290 288 A 85 LYS HB3 A 82 SER HA 1.0 . 5.03 291 289 A 75 GLU HA A 75 GLU HG2 1.0 . 3.90 292 290 A 33 SER HA A 32 GLU HG2 1.0 . 5.50 293 291 A 33 SER HA A 32 GLU HG3 1.0 . 5.50 294 292 A 54 GLU HA A 54 GLU HG3 1.0 . 3.81 295 293 A 94 ASP HA A 97 TYR HB2 1.0 . 4.29 296 294 A 51 LYS HA A 54 GLU HG3 1.0 . 3.73 297 295 A 90 THR HB A 87 ASP HB2 1.0 . 3.89 298 296 A 90 THR HB A 87 ASP HB3 1.0 . 3.89 299 297 A 56 THR HB A 61 ILE HB 1.0 . 3.45 300 298 A 91 ALA HA A 94 ASP HB3 1.0 . 3.80 301 299 A 98 SER HA A 101 ASP HB2 1.0 . 4.24 302 300 A 55 ARG HD2 A 55 ARG HA 1.0 . 3.47 303 301 A 74 LEU HB2 A 71 MET HA 1.0 . 4.02 304 302 A 74 LEU HB2 A 79 GLY HA2 1.0 . 4.52 305 303 A 74 LEU HB3 A 79 GLY HA2 1.0 . 3.59 306 304 A 83 TYR HA A 86 LEU HB2 1.0 . 3.01 307 305 A 61 ILE HA A 62 PRO HD3 1.0 . 3.32 308 306 A 17 ARG HA A 18 GLY HA2 1.0 . 5.32 309 307 A 17 ARG HA A 18 GLY HA3 1.0 . 5.32 310 308 A 66 THR HB A 63 ASP HA 1.0 . 3.46 311 309 A 56 THR HB A 66 THR HB 1.0 . 4.91 312 310 A 85 LYS HA A 89 TYR HA 1.0 . 3.76 313 311 A 40 ALA HA A 44 ASN HA 1.0 . 5.50 314 312 A 68 PRO HD2 A 65 LYS HA 1.0 . 4.78 315 313 A 45 LYS HA A 45 LYS HE2 1.0 . 5.50 316 314 A 45 LYS HA A 45 LYS HE3 1.0 . 5.50 317 315 A 42 LEU HB2 A 39 GLN HA 1.0 . 3.92 318 316 A 67 MET HA A 70 LEU HB3 1.0 . 4.92 319 317 A 51 LYS HA A 54 GLU HG2 1.0 . 3.73 320 318 A 85 LYS HB2 A 86 LEU HA 1.0 . 5.50 321 319 A 85 LYS HB3 A 86 LEU HA 1.0 . 5.50 322 320 A 31 VAL HB A 34 ASP HA 1.0 . 5.46 323 321 A 97 TYR HA A 100 GLU HB3 1.0 . 4.20 324 322 A 44 ASN HA A 45 LYS HD2 1.0 . 5.50 325 323 A 44 ASN HA A 45 LYS HD3 1.0 . 5.50 326 324 A 56 THR HB A 61 ILE HG12 1.0 . 5.45 327 325 A 92 LEU HG A 90 THR HA 1.0 . 3.95 328 326 A 61 ILE HA A 61 ILE HG12 1.0 . 3.55 329 327 A 52 ALA HB% A 53 LEU HA 1.0 . 5.23 330 328 A 56 THR HB A 96 ILE HG2% 1.0 . 5.34 331 329 A 96 ILE HG2% A 62 PRO HD3 1.0 . 5.50 332 330 A 61 ILE HA A 96 ILE HG2% 1.0 . 4.92 333 331 A 61 ILE HD1% A 66 THR HB 1.0 . 5.50 334 332 A 96 ILE HG2% A 97 TYR HE1 1.0 . 5.00 335 333 A 84 ILE HG2% A 89 TYR HD2 1.0 . 3.34 336 334 A 83 TYR HE2 A 77 ALA HB% 1.0 . 4.58 337 335 A 96 ILE HG2% A 97 TYR HD1 1.0 . 4.36 338 336 A 52 ALA HB% A 81 TRP HZ3 1.0 . 3.56 339 337 A 49 VAL HG2% A 81 TRP HH2 1.0 . 3.67 340 338 A 85 LYS HA A 89 TYR HD2 1.0 . 4.29 341 339 A 81 TRP HA A 81 TRP HE3 1.0 . 3.95 342 340 A 49 VAL HA A 81 TRP HH2 1.0 . 3.63 343 341 A 96 ILE HD1% A 65 LYS HD3 1.0 . 5.50 344 342 A 96 ILE HD1% A 68 PRO HD2 1.0 . 5.50 345 343 A 61 ILE HD1% A 59 LEU HG 1.0 . 4.99 346 344 A 61 ILE HD1% A 53 LEU HA 1.0 . 5.50 347 345 A 61 ILE HG2% A 65 LYS HG2 1.0 . 3.89 348 346 A 90 THR HG2% A 94 ASP HA 1.0 . 5.50 349 347 A 52 ALA HB% A 53 LEU HD1% 1.0 . 5.50 350 348 A 52 ALA HB% A 53 LEU HD2% 1.0 . 5.50 351 349 A 92 LEU HG A 93 VAL HG2% 1.0 . 5.50 352 350 A 67 MET HG3 A 53 LEU HD2% 1.0 . 5.50 353 351 A 93 VAL HG1% A 94 ASP HB3 1.0 . 5.27 354 352 A 93 VAL HG1% A 94 ASP HA 1.0 . 4.44 355 353 A 69 VAL HG2% A 65 LYS HD3 1.0 . 5.11 356 354 A 49 VAL HG2% A 70 LEU HG 1.0 . 5.50 357 355 A 49 VAL HG2% A 74 LEU HD2% 1.0 . 5.15 358 356 A 61 ILE HG13 A 60 ASP HB2 1.0 . 5.50 359 357 A 65 LYS HG2 A 64 GLU HB2 1.0 . 5.50 360 358 A 96 ILE HD1% A 68 PRO HG2 1.0 . 5.50 361 359 A 62 PRO HD2 A 65 LYS HD2 1.0 . 3.76 362 360 A 62 PRO HD2 A 65 LYS HD3 1.0 . 4.09 363 361 A 73 LEU HA A 84 ILE HG12 1.0 . 4.85 364 362 A 81 TRP HA A 84 ILE HG12 1.0 . 5.36 365 363 A 81 TRP HE3 A 85 LYS HD2 1.0 . 5.50 366 364 A 85 LYS HD3 A 82 SER HB2 1.0 . 5.50 367 364 A 82 SER HB3 A 85 LYS HD3 1.0 . 5.50 368 365 A 65 LYS HD2 A 100 GLU HB2 1.0 . 5.50 369 366 A 65 LYS HG3 A 100 GLU HB3 1.0 . 5.50 370 367 A 22 ILE HG2% A 24 LEU HA 1.0 . 3.64 371 368 A 100 GLU HB3 A 101 ASP HA 1.0 . 5.50 372 369 A 65 LYS HD2 A 65 LYS HA 1.0 . 5.01 373 370 A 42 LEU HB3 A 39 GLN HA 1.0 . 5.18 374 371 A 70 LEU HA A 73 LEU HD1% 1.0 . 2.78 375 372 A 96 ILE HA A 99 VAL HB 1.0 . 4.39 376 373 A 97 TYR HB2 A 94 ASP HB3 1.0 . 5.50 377 374 A 67 MET HE% A 49 VAL HB 1.0 . 4.60 378 375 A 22 ILE HG2% A 23 SER HA 1.0 . 5.06 379 376 A 61 ILE HG2% A 66 THR HB 1.0 . 4.37 380 377 A 40 ALA HB% A 44 ASN HA 1.0 . 5.50 381 378 A 61 ILE HG13 A 60 ASP HA 1.0 . 4.37 382 379 A 61 ILE HA A 65 LYS HD3 1.0 . 4.36 383 380 A 43 THR HA A 44 ASN HB2 1.0 . 5.50 384 381 A 31 VAL HA A 34 ASP HB2 1.0 . 3.47 385 382 A 25 SER HA A 26 GLY HA2 1.0 . 5.50 386 383 A 25 SER HA A 26 GLY HA3 1.0 . 5.50 387 384 A 63 ASP HA A 62 PRO HA 1.0 . 5.50 388 385 A 64 GLU HA A 65 LYS HA 1.0 . 5.41 389 386 A 57 ARG HA A 53 LEU HA 1.0 . 5.50 390 387 A 31 VAL HA A 34 ASP HA 1.0 . 5.50 391 388 A 67 MET HE% A 81 TRP HH2 1.0 . 5.50 392 389 A 81 TRP HH2 A 74 LEU HD1% 1.0 . 5.50 393 390 A 85 LYS HG2 A 89 TYR HE2 1.0 . 5.50 394 391 A 85 LYS HG3 A 89 TYR HE2 1.0 . 5.50 395 392 A 55 ARG HG2 A 89 TYR HD1 1.0 . 4.32 396 393 A 89 TYR HE1 A 51 LYS HB2 1.0 . 5.50 397 394 A 89 TYR HE1 A 51 LYS HB3 1.0 . 5.50 398 395 A 83 TYR HB2 A 83 TYR HE1 1.0 . 4.87 399 396 A 83 TYR HE2 A 83 TYR HB3 1.0 . 4.90 400 397 A 61 ILE HG2% A 63 ASP HA 1.0 . 4.71 401 398 A 82 SER HA A 85 LYS HG2 1.0 . 5.16 402 399 A 65 LYS HG2 A 62 PRO HA 1.0 . 5.50 403 400 A 65 LYS HG2 A 66 THR HB 1.0 . 5.50 404 401 A 84 ILE HA A 89 TYR HA 1.0 . 5.49 405 402 A 92 LEU HG A 93 VAL HA 1.0 . 5.13 406 403 A 56 THR HA A 66 THR HG2% 1.0 . 5.08 407 404 A 56 THR HA A 55 ARG HG2 1.0 . 5.50 408 405 A 84 ILE HA A 73 LEU HD2% 1.0 . 5.50 409 406 A 85 LYS HD2 A 82 SER HA 1.0 . 4.03 410 407 A 48 LYS HA A 48 LYS HD2 1.0 . 4.63 411 408 A 48 LYS HA A 48 LYS HD3 1.0 . 4.63 412 409 A 70 LEU HA A 66 THR HG2% 1.0 . 4.73 413 410 A 86 LEU HA A 85 LYS HG2 1.0 . 5.50 414 411 A 73 LEU HD1% A 91 ALA HA 1.0 . 5.30 415 412 A 43 THR HG2% A 42 LEU HA 1.0 . 5.40 416 413 A 68 PRO HD3 A 69 VAL HG2% 1.0 . 5.42 417 414 A 79 GLY HA2 A 74 LEU HD1% 1.0 . 4.59 418 415 A 74 LEU HG A 79 GLY HA2 1.0 . 4.52 419 416 A 84 ILE HG2% A 73 LEU HB3 1.0 . 3.03 420 417 A 73 LEU HB2 A 74 LEU HG 1.0 . 5.18 421 418 A 55 ARG HG2 A 89 TYR HB3 1.0 . 4.38 422 419 A 67 MET HA A 66 THR HB 1.0 . 5.50 423 420 A 66 THR HA A 67 MET HA 1.0 . 5.03 424 421 A 72 LYS HA A 69 VAL HA 1.0 . 5.46 425 422 A 96 ILE HA A 100 GLU HA 1.0 . 5.50 426 423 A 96 ILE HA A 65 LYS HE2 1.0 . 5.50 427 424 A 96 ILE HA A 65 LYS HE3 1.0 . 5.50 428 425 A 56 THR HB A 55 ARG HG3 1.0 . 5.50 429 426 A 56 THR HB A 66 THR HA 1.0 . 5.43 430 427 A 43 THR HA A 44 ASN HB3 1.0 . 5.50 431 428 A 82 SER HA A 85 LYS HE2 1.0 . 4.78 432 429 A 82 SER HA A 85 LYS HE3 1.0 . 4.78 433 430 A 42 LEU HB2 A 43 THR HA 1.0 . 5.50 434 431 A 67 MET HG2 A 64 GLU HA 1.0 . 5.50 435 432 A 66 THR HG2% A 63 ASP HA 1.0 . 3.87 436 433 A 65 LYS HD3 A 100 GLU HA 1.0 . 5.50 437 434 A 31 VAL HG2% A 32 GLU HA 1.0 . 4.04 438 435 A 56 THR HA A 53 LEU HA 1.0 . 5.44 439 436 A 61 ILE HG2% A 100 GLU HB2 1.0 . 5.50 440 437 A 65 LYS HG3 A 62 PRO HG2 1.0 . 4.15 441 438 A 65 LYS HG2 A 62 PRO HG2 1.0 . 5.50 442 439 A 65 LYS HD2 A 62 PRO HG2 1.0 . 4.36 443 440 A 49 VAL HG1% A 45 LYS HG3 1.0 . 5.12 444 441 A 49 VAL HG1% A 45 LYS HG2 1.0 . 5.12 445 442 A 96 ILE HB A 69 VAL HG1% 1.0 . 4.86 446 443 A 95 ALA HB% A 69 VAL HG1% 1.0 . 2.66 447 444 A 90 THR HG2% A 87 ASP HB3 1.0 . 3.99 448 445 A 94 ASP HB2 A 90 THR HG2% 1.0 . 4.33 449 446 A 84 ILE HG2% A 84 ILE HG13 1.0 . 3.38 450 447 A 84 ILE HD1% A 73 LEU HB3 1.0 . 3.34 451 448 A 84 ILE HD1% A 89 TYR HE2 1.0 . 5.19 452 449 A 67 MET HE% A 67 MET HB3 1.0 . 3.39 453 450 A 67 MET HE% A 66 THR HB 1.0 . 5.50 454 451 A 52 ALA HB% A 81 TRP HZ2 1.0 . 4.65 455 452 A 81 TRP HE3 A 52 ALA HB% 1.0 . 4.79 456 453 A 84 ILE HG2% A 89 TYR HE2 1.0 . 3.69 457 454 A 96 ILE HG2% A 97 TYR HB2 1.0 . 5.50 458 455 A 93 VAL HG1% A 97 TYR HE1 1.0 . 3.69 459 456 A 81 TRP HH2 A 74 LEU HD2% 1.0 . 5.50 460 457 A 56 THR HB A 92 LEU HD1% 1.0 . 3.74 461 458 A 96 ILE HG2% A 69 VAL HG2% 1.0 . 4.39 462 459 A 49 VAL HG2% A 74 LEU HD1% 1.0 . 5.15 463 460 A 81 TRP HA A 74 LEU HD1% 1.0 . 5.50 464 461 A 92 LEU HD2% A 55 ARG HG3 1.0 . 3.95 465 462 A 74 LEU HG A 79 GLY HA3 1.0 . 5.25 466 463 A 55 ARG HA A 55 ARG HG2 1.0 . 3.99 467 464 A 58 GLN HB2 A 58 GLN HG3 1.0 . 2.61 468 465 A 55 ARG HG3 A 89 TYR HD1 1.0 . 4.22 469 466 A 55 ARG HB2 A 89 TYR HD1 1.0 . 4.99 470 467 A 73 LEU HB2 A 84 ILE HG13 1.0 . 4.79 471 468 A 73 LEU HB2 A 84 ILE HG12 1.0 . 4.34 472 469 A 85 LYS HD2 A 81 TRP HB3 1.0 . 4.89 473 470 A 40 ALA HB% A 41 MET HG2 1.0 . 5.38 474 471 A 62 PRO HD2 A 65 LYS HB3 1.0 . 4.61 475 472 A 85 LYS HB2 A 89 TYR HD2 1.0 . 4.90 476 473 A 85 LYS HB3 A 89 TYR HD2 1.0 . 5.23 477 474 A 61 ILE HG13 A 60 ASP HB3 1.0 . 5.50 478 475 A 53 LEU HB3 A 50 LEU HA 1.0 . 5.50 479 476 A 53 LEU HB3 A 54 GLU HA 1.0 . 5.50 480 477 A 89 TYR HE2 A 85 LYS HE2 1.0 . 5.50 481 478 A 89 TYR HE2 A 85 LYS HE3 1.0 . 5.50 482 479 A 84 ILE HD1% A 74 LEU HB3 1.0 . 4.48 483 480 A 74 LEU HB2 A 71 MET HB2 1.0 . 5.50 484 481 A 74 LEU HB2 A 71 MET HB3 1.0 . 5.50 485 482 A 105 GLN HE21 A 104 LYS HE2 1.0 . 5.50 486 483 A 105 GLN HE21 A 104 LYS HE3 1.0 . 5.50 487 484 A 55 ARG HD3 A 89 TYR HD1 1.0 . 5.41 488 485 A 68 PRO HD2 A 64 GLU HA 1.0 . 5.40 489 486 A 67 MET HG2 A 68 PRO HD2 1.0 . 4.97 490 487 A 67 MET HG3 A 68 PRO HD2 1.0 . 4.98 491 488 A 67 MET HG3 A 68 PRO HD3 1.0 . 5.50 492 489 A 62 PRO HD2 A 65 LYS HG3 1.0 . 4.94 493 490 A 89 TYR HE2 A 88 ASN HA 1.0 . 5.50 494 491 A 52 ALA HA A 89 TYR HD1 1.0 . 4.30 495 492 A 49 VAL HG2% A 46 ASP HA 1.0 . 5.30 496 493 A 85 LYS HA A 88 ASN HA 1.0 . 5.29 497 494 A 94 ASP HA A 97 TYR HB3 1.0 . 4.07 498 495 A 65 LYS HG2 A 65 LYS HA 1.0 . 3.84 499 496 A 74 LEU HA A 79 GLY HA2 1.0 . 4.39 500 497 A 74 LEU HA A 73 LEU HA 1.0 . 5.50 501 498 A 74 LEU HA A 75 GLU HA 1.0 . 5.50 502 499 A 68 PRO HD3 A 64 GLU HA 1.0 . 4.58 503 500 A 57 ARG HA A 57 ARG HD2 1.0 . 5.50 504 501 A 98 SER HA A 97 TYR HB2 1.0 . 5.10 505 502 A 85 LYS HD2 A 82 SER HB2 1.0 . 4.73 506 502 A 85 LYS HD2 A 82 SER HB3 1.0 . 4.73 507 503 A 93 VAL HA A 93 VAL HG2% 1.0 . 3.47 508 504 A 59 LEU HD1% A 59 LEU HB3 1.0 . 4.18 509 505 A 59 LEU HB3 A 59 LEU HD2% 1.0 . 4.18 510 506 A 59 LEU HA A 59 LEU HD1% 1.0 . 4.10 511 507 A 88 ASN HA A 89 TYR H 1.0 . 3.31 512 508 A 88 ASN HB3 A 88 ASN HD22 1.0 . 3.85 513 509 A 89 TYR HD2 A 89 TYR H 1.0 . 3.61 514 510 A 85 LYS HA A 89 TYR H 1.0 . 3.55 515 511 A 89 TYR H A 88 ASN H 1.0 . 3.53 516 512 A 78 GLY H A 79 GLY H 1.0 . 3.13 517 513 A 74 LEU H A 74 LEU HD2% 1.0 . 4.24 518 514 A 62 PRO HB3 A 63 ASP H 1.0 . 3.92 519 515 A 31 VAL HG2% A 32 GLU H 1.0 . 4.03 520 516 A 52 ALA HB% A 52 ALA H 1.0 . 2.83 521 517 A 57 ARG H A 57 ARG HB2 1.0 . 3.75 522 518 A 86 LEU HB3 A 87 ASP H 1.0 . 3.59 523 519 A 49 VAL HG1% A 52 ALA H 1.0 . 4.49 524 520 A 100 GLU H A 99 VAL HG2% 1.0 . 3.79 525 521 A 100 GLU H A 99 VAL HG1% 1.0 . 3.79 526 522 A 15 VAL H A 15 VAL HG1% 1.0 . 3.01 527 522 A 15 VAL HG2% A 15 VAL H 1.0 . 3.01 528 523 A 95 ALA HB% A 95 ALA H 1.0 . 2.71 529 524 A 69 VAL HG1% A 95 ALA H 1.0 . 4.16 530 525 A 86 LEU HB2 A 86 LEU H 1.0 . 3.17 531 526 A 86 LEU HB3 A 86 LEU H 1.0 . 3.05 532 527 A 70 LEU HG A 70 LEU H 1.0 . 4.01 533 528 A 70 LEU HB3 A 70 LEU H 1.0 . 3.11 534 529 A 69 VAL HG2% A 70 LEU H 1.0 . 4.34 535 530 A 96 ILE HG2% A 96 ILE H 1.0 . 3.83 536 531 A 49 VAL HG2% A 46 ASP H 1.0 . 3.55 537 532 A 95 ALA HB% A 96 ILE H 1.0 . 3.19 538 533 A 69 VAL HG1% A 72 LYS H 1.0 . 5.30 539 534 A 72 LYS H A 70 LEU HD2% 1.0 . 5.50 540 535 A 73 LEU HG A 72 LYS H 1.0 . 4.04 541 536 A 42 LEU HB2 A 42 LEU H 1.0 . 2.68 542 537 A 69 VAL HB A 70 LEU H 1.0 . 2.76 543 538 A 104 LYS HB3 A 105 GLN H 1.0 . 4.37 544 539 A 105 GLN H A 104 LYS HB2 1.0 . 4.17 545 540 A 31 VAL HB A 31 VAL H 1.0 . 3.98 546 541 A 41 MET HB2 A 42 LEU H 1.0 . 3.24 547 542 A 72 LYS H A 72 LYS HB2 1.0 . 2.75 548 543 A 72 LYS HB3 A 72 LYS H 1.0 . 2.80 549 544 A 49 VAL HG1% A 46 ASP H 1.0 . 4.12 550 545 A 66 THR HG2% A 70 LEU H 1.0 . 3.85 551 546 A 73 LEU HD2% A 73 LEU H 1.0 . 3.45 552 547 A 73 LEU HB3 A 73 LEU H 1.0 . 3.76 553 548 A 73 LEU HG A 73 LEU H 1.0 . 2.72 554 549 A 72 LYS HB3 A 73 LEU H 1.0 . 3.37 555 550 A 61 ILE HD1% A 61 ILE H 1.0 . 4.06 556 551 A 61 ILE HB A 61 ILE H 1.0 . 3.03 557 552 A 61 ILE HG13 A 61 ILE H 1.0 . 3.07 558 553 A 49 VAL HB A 49 VAL H 1.0 . 2.56 559 554 A 49 VAL HG2% A 49 VAL H 1.0 . 2.99 560 555 A 49 VAL H A 48 LYS HB2 1.0 . 4.36 561 556 A 74 LEU HB3 A 75 GLU H 1.0 . 4.16 562 557 A 74 LEU HB2 A 75 GLU H 1.0 . 3.07 563 558 A 74 LEU H A 74 LEU HD1% 1.0 . 4.24 564 559 A 84 ILE HD1% A 74 LEU H 1.0 . 3.71 565 560 A 73 LEU HD1% A 74 LEU H 1.0 . 4.80 566 561 A 73 LEU HD2% A 74 LEU H 1.0 . 5.19 567 562 A 22 ILE HG2% A 23 SER H 1.0 . 4.21 568 563 A 22 ILE HD1% A 23 SER H 1.0 . 4.65 569 564 A 74 LEU HG A 74 LEU H 1.0 . 4.00 570 565 A 93 VAL HG1% A 93 VAL H 1.0 . 3.89 571 566 A 92 LEU HD1% A 93 VAL H 1.0 . 2.99 572 567 A 84 ILE HD1% A 84 ILE H 1.0 . 3.67 573 568 A 84 ILE HG2% A 84 ILE H 1.0 . 4.11 574 569 A 84 ILE HG12 A 84 ILE H 1.0 . 4.36 575 570 A 84 ILE HB A 84 ILE H 1.0 . 3.06 576 571 A 93 VAL HB A 93 VAL H 1.0 . 2.82 577 572 A 77 ALA HB% A 77 ALA H 1.0 . 2.74 578 573 A 92 LEU HG A 93 VAL H 1.0 . 3.40 579 574 A 93 VAL H A 92 LEU HB3 1.0 . 4.17 580 575 A 45 LYS H A 45 LYS HG3 1.0 . 4.28 581 576 A 45 LYS H A 45 LYS HG2 1.0 . 4.28 582 577 A 45 LYS H A 45 LYS HB3 1.0 . 3.87 583 578 A 45 LYS H A 45 LYS HB2 1.0 . 3.87 584 579 A 73 LEU HB2 A 74 LEU H 1.0 . 3.16 585 580 A 43 THR HG2% A 44 ASN H 1.0 . 4.03 586 581 A 40 ALA HB% A 39 GLN H 1.0 . 4.69 587 582 A 22 ILE HB A 23 SER H 1.0 . 4.40 588 583 A 59 LEU HG A 59 LEU H 1.0 . 3.06 589 584 A 74 LEU HB2 A 74 LEU H 1.0 . 2.72 590 585 A 61 ILE HD1% A 59 LEU H 1.0 . 3.78 591 586 A 50 LEU HG A 50 LEU H 1.0 . 2.82 592 587 A 49 VAL HG1% A 50 LEU H 1.0 . 3.67 593 588 A 49 VAL HG2% A 50 LEU H 1.0 . 4.31 594 589 A 65 LYS HG3 A 65 LYS H 1.0 . 3.98 595 590 A 50 LEU HB2 A 50 LEU H 1.0 . 2.98 596 591 A 65 LYS HB3 A 65 LYS H 1.0 . 3.32 597 592 A 65 LYS HB2 A 65 LYS H 1.0 . 3.74 598 593 A 64 GLU HB2 A 65 LYS H 1.0 . 3.10 599 594 A 61 ILE HG2% A 65 LYS H 1.0 . 4.36 600 595 A 65 LYS HG2 A 65 LYS H 1.0 . 3.85 601 596 A 96 ILE HB A 97 TYR H 1.0 . 2.87 602 597 A 69 VAL HG2% A 69 VAL H 1.0 . 2.87 603 598 A 69 VAL HG1% A 69 VAL H 1.0 . 4.16 604 599 A 96 ILE HG2% A 97 TYR H 1.0 . 3.51 605 600 A 52 ALA HB% A 54 GLU H 1.0 . 4.44 606 601 A 53 LEU HB2 A 54 GLU H 1.0 . 4.25 607 602 A 55 ARG H A 54 GLU HB2 1.0 . 3.87 608 603 A 55 ARG H A 54 GLU HB3 1.0 . 3.87 609 604 A 55 ARG HB3 A 55 ARG H 1.0 . 3.13 610 605 A 55 ARG HB2 A 55 ARG H 1.0 . 3.23 611 606 A 68 PRO HB2 A 69 VAL H 1.0 . 3.91 612 607 A 52 ALA HB% A 55 ARG H 1.0 . 4.86 613 608 A 40 ALA HB% A 41 MET H 1.0 . 3.32 614 609 A 41 MET HB2 A 41 MET H 1.0 . 2.82 615 610 A 93 VAL HG1% A 94 ASP H 1.0 . 3.67 616 611 A 90 THR HG2% A 94 ASP H 1.0 . 3.97 617 612 A 95 ALA HB% A 94 ASP H 1.0 . 4.19 618 613 A 93 VAL HB A 94 ASP H 1.0 . 3.13 619 614 A 96 ILE HD1% A 66 THR H 1.0 . 3.83 620 615 A 90 THR HG2% A 90 THR H 1.0 . 3.87 621 616 A 50 LEU HB2 A 51 LYS H 1.0 . 3.14 622 617 A 66 THR HG2% A 67 MET H 1.0 . 3.79 623 618 A 61 ILE HG2% A 66 THR H 1.0 . 3.58 624 619 A 66 THR HG2% A 66 THR H 1.0 . 3.80 625 620 A 92 LEU H A 92 LEU HB3 1.0 . 3.67 626 621 A 31 VAL HG2% A 33 SER H 1.0 . 4.89 627 622 A 33 SER H A 32 GLU HB3 1.0 . 4.38 628 623 A 33 SER H A 32 GLU HB2 1.0 . 4.38 629 624 A 53 LEU HG A 53 LEU H 1.0 . 2.79 630 625 A 53 LEU HB3 A 53 LEU H 1.0 . 3.75 631 626 A 53 LEU H A 53 LEU HD1% 1.0 . 4.25 632 627 A 53 LEU H A 53 LEU HD2% 1.0 . 4.25 633 628 A 52 ALA HB% A 53 LEU H 1.0 . 3.12 634 629 A 53 LEU HB2 A 53 LEU H 1.0 . 3.38 635 630 A 64 GLU HB2 A 64 GLU H 1.0 . 2.80 636 631 A 85 LYS HB3 A 82 SER H 1.0 . 5.28 637 632 A 95 ALA HB% A 98 SER H 1.0 . 4.78 638 633 A 53 LEU HB2 A 57 ARG HE 1.0 . 4.42 639 634 A 57 ARG HE A 57 ARG HB2 1.0 . 3.89 640 635 A 57 ARG HE A 57 ARG HB3 1.0 . 3.89 641 636 A 57 ARG HE A 57 ARG HG2 1.0 . 3.52 642 636 A 57 ARG HE A 57 ARG HG3 1.0 . 3.52 643 637 A 70 LEU HG A 71 MET H 1.0 . 4.35 644 638 A 70 LEU HB3 A 71 MET H 1.0 . 3.89 645 639 A 28 THR HG2% A 28 THR H 1.0 . 4.12 646 640 A 92 LEU HD2% A 55 ARG HE 1.0 . 3.76 647 641 A 55 ARG HG2 A 55 ARG HE 1.0 . 3.62 648 642 A 55 ARG HB2 A 55 ARG HE 1.0 . 4.21 649 643 A 55 ARG HG3 A 55 ARG HE 1.0 . 3.50 650 644 A 56 THR HG2% A 56 THR H 1.0 . 2.94 651 645 A 43 THR HG2% A 43 THR H 1.0 . 3.28 652 646 A 42 LEU HB3 A 43 THR H 1.0 . 4.06 653 647 A 42 LEU HB2 A 43 THR H 1.0 . 3.77 654 648 A 92 LEU HD2% A 56 THR H 1.0 . 3.62 655 649 A 55 ARG HB2 A 56 THR H 1.0 . 4.24 656 650 A 55 ARG HB3 A 56 THR H 1.0 . 3.30 657 651 A 66 THR HG2% A 56 THR H 1.0 . 4.44 658 652 A 84 ILE HG2% A 85 LYS H 1.0 . 3.63 659 653 A 85 LYS HG2 A 85 LYS H 1.0 . 3.64 660 654 A 85 LYS HB3 A 85 LYS H 1.0 . 2.93 661 655 A 84 ILE HB A 85 LYS H 1.0 . 3.52 662 656 A 77 ALA HB% A 78 GLY H 1.0 . 3.50 663 657 A 55 ARG HD2 A 88 ASN HD21 1.0 . 4.57 664 658 A 58 GLN HG2 A 58 GLN HE21 1.0 . 3.31 665 659 A 58 GLN HG2 A 58 GLN HE22 1.0 . 3.64 666 660 A 80 ASN HB3 A 80 ASN HD22 1.0 . 3.82 667 661 A 80 ASN HB3 A 80 ASN HD21 1.0 . 3.50 668 662 A 103 ASN HB2 A 103 ASN HD22 1.0 . 3.92 669 663 A 103 ASN HB2 A 103 ASN HD21 1.0 . 3.52 670 664 A 88 ASN HB3 A 55 ARG HE 1.0 . 3.83 671 665 A 97 TYR HB2 A 98 SER H 1.0 . 3.40 672 666 A 97 TYR HB3 A 98 SER H 1.0 . 3.75 673 667 A 83 TYR HB3 A 82 SER H 1.0 . 5.08 674 668 A 82 SER H A 81 TRP HB2 1.0 . 4.09 675 669 A 82 SER H A 81 TRP HB3 1.0 . 4.09 676 670 A 82 SER H A 82 SER HB2 1.0 . 2.90 677 670 A 82 SER HB3 A 82 SER H 1.0 . 2.90 678 671 A 64 GLU H A 62 PRO HB2 1.0 . 3.50 679 672 A 50 LEU HA A 53 LEU H 1.0 . 3.70 680 673 A 33 SER H A 33 SER HB3 1.0 . 3.94 681 674 A 33 SER H A 33 SER HB2 1.0 . 3.94 682 675 A 34 ASP HB3 A 33 SER H 1.0 . 4.37 683 676 A 92 LEU H A 92 LEU HB2 1.0 . 3.67 684 677 A 80 ASN H A 80 ASN HB3 1.0 . 3.10 685 678 A 80 ASN H A 80 ASN HB2 1.0 . 3.04 686 679 A 67 MET HG2 A 67 MET H 1.0 . 3.57 687 680 A 68 PRO HD3 A 67 MET H 1.0 . 3.38 688 681 A 67 MET HG3 A 67 MET H 1.0 . 4.16 689 682 A 90 THR H A 87 ASP HB3 1.0 . 4.02 690 683 A 66 THR HB A 67 MET H 1.0 . 3.33 691 684 A 68 PRO HD2 A 67 MET H 1.0 . 3.45 692 685 A 94 ASP HB3 A 94 ASP H 1.0 . 3.03 693 686 A 94 ASP HB2 A 94 ASP H 1.0 . 3.19 694 687 A 90 THR HA A 94 ASP H 1.0 . 4.80 695 688 A 69 VAL H A 68 PRO HB3 1.0 . 4.48 696 689 A 52 ALA HA A 55 ARG H 1.0 . 3.98 697 690 A 97 TYR HB2 A 97 TYR H 1.0 . 2.97 698 691 A 97 TYR HB3 A 97 TYR H 1.0 . 3.53 699 692 A 51 LYS HA A 54 GLU H 1.0 . 3.69 700 693 A 68 PRO HD2 A 69 VAL H 1.0 . 3.67 701 694 A 49 VAL HB A 50 LEU H 1.0 . 3.17 702 695 A 65 LYS H A 62 PRO HB2 1.0 . 4.00 703 696 A 62 PRO HD2 A 65 LYS H 1.0 . 5.20 704 697 A 66 THR HA A 65 LYS H 1.0 . 5.50 705 698 A 48 LYS H A 46 ASP HB2 1.0 . 4.70 706 699 A 48 LYS H A 46 ASP HB3 1.0 . 4.70 707 700 A 103 ASN HB2 A 103 ASN H 1.0 . 3.15 708 701 A 103 ASN H A 103 ASN HB3 1.0 . 3.99 709 702 A 59 LEU H A 58 GLN HB3 1.0 . 3.90 710 703 A 58 GLN HB2 A 59 LEU H 1.0 . 3.74 711 704 A 77 ALA H A 76 GLU HB2 1.0 . 3.23 712 705 A 88 ASN H A 88 ASN HB2 1.0 . 3.57 713 706 A 56 THR HA A 59 LEU H 1.0 . 4.07 714 707 A 93 VAL H A 92 LEU HB2 1.0 . 4.17 715 708 A 74 LEU HA A 77 ALA H 1.0 . 3.76 716 709 A 90 THR HA A 93 VAL H 1.0 . 3.76 717 710 A 88 ASN HB3 A 88 ASN H 1.0 . 3.95 718 711 A 39 GLN H A 39 GLN HG2 1.0 . 3.83 719 712 A 39 GLN H A 39 GLN HG3 1.0 . 3.83 720 713 A 45 LYS H A 44 ASN HB3 1.0 . 4.62 721 714 A 83 TYR HB2 A 84 ILE H 1.0 . 4.08 722 715 A 83 TYR HB3 A 84 ILE H 1.0 . 3.54 723 716 A 58 GLN HB2 A 58 GLN H 1.0 . 2.93 724 717 A 58 GLN HG2 A 58 GLN H 1.0 . 3.01 725 718 A 45 LYS H A 44 ASN HB2 1.0 . 4.62 726 719 A 58 GLN H A 57 ARG HG2 1.0 . 4.76 727 719 A 57 ARG HG3 A 58 GLN H 1.0 . 4.76 728 720 A 83 TYR HB2 A 83 TYR H 1.0 . 3.13 729 721 A 83 TYR HB3 A 83 TYR H 1.0 . 2.92 730 722 A 83 TYR H A 82 SER HB2 1.0 . 3.27 731 722 A 82 SER HB3 A 83 TYR H 1.0 . 3.27 732 723 A 47 GLU HA A 49 VAL H 1.0 . 4.44 733 724 A 70 LEU HA A 73 LEU H 1.0 . 3.79 734 725 A 93 VAL HA A 96 ILE H 1.0 . 4.19 735 726 A 66 THR HA A 70 LEU H 1.0 . 4.00 736 727 A 31 VAL H A 30 SER HB2 1.0 . 5.19 737 728 A 31 VAL H A 30 SER HB3 1.0 . 5.19 738 729 A 96 ILE HA A 99 VAL H 1.0 . 4.16 739 730 A 69 VAL HA A 72 LYS H 1.0 . 3.81 740 731 A 104 LYS HB3 A 104 LYS H 1.0 . 3.08 741 732 A 104 LYS HB2 A 104 LYS H 1.0 . 3.82 742 733 A 94 ASP HB2 A 95 ALA H 1.0 . 3.91 743 734 A 94 ASP HB3 A 95 ALA H 1.0 . 3.33 744 735 A 103 ASN HB2 A 104 LYS H 1.0 . 3.10 745 736 A 103 ASN HB3 A 104 LYS H 1.0 . 4.10 746 737 A 34 ASP HB3 A 35 LEU H 1.0 . 3.37 747 738 A 96 ILE HB A 95 ALA H 1.0 . 4.88 748 739 A 17 ARG H A 16 PRO HB3 1.0 . 4.34 749 740 A 17 ARG H A 16 PRO HB2 1.0 . 4.34 750 741 A 100 GLU HB3 A 100 GLU H 1.0 . 2.60 751 742 A 99 VAL HB A 100 GLU H 1.0 . 3.03 752 743 A 34 ASP HB3 A 34 ASP H 1.0 . 3.08 753 744 A 34 ASP HB2 A 34 ASP H 1.0 . 3.47 754 745 A 34 ASP H A 33 SER HB2 1.0 . 4.59 755 746 A 34 ASP H A 33 SER HB3 1.0 . 4.59 756 747 A 31 VAL HB A 34 ASP H 1.0 . 4.35 757 748 A 49 VAL HA A 52 ALA H 1.0 . 3.74 758 749 A 57 ARG H A 57 ARG HB3 1.0 . 3.75 759 750 A 57 ARG H A 57 ARG HG2 1.0 . 3.32 760 750 A 57 ARG H A 57 ARG HG3 1.0 . 3.32 761 751 A 57 ARG H A 57 ARG HD2 1.0 . 5.20 762 752 A 58 GLN HG2 A 57 ARG H 1.0 . 5.48 763 753 A 54 GLU HA A 57 ARG H 1.0 . 4.08 764 754 A 40 ALA H A 39 GLN HG2 1.0 . 5.46 765 755 A 40 ALA H A 39 GLN HG3 1.0 . 5.46 766 756 A 87 ASP H A 87 ASP HB3 1.0 . 4.02 767 757 A 50 LEU HA A 52 ALA H 1.0 . 4.26 768 758 A 47 GLU H A 46 ASP HB2 1.0 . 4.84 769 759 A 47 GLU H A 46 ASP HB3 1.0 . 4.84 770 760 A 24 LEU H A 23 SER HB2 1.0 . 5.27 771 761 A 24 LEU H A 23 SER HB3 1.0 . 5.27 772 762 A 63 ASP H A 62 PRO HB2 1.0 . 3.41 773 763 A 80 ASN HB2 A 81 TRP H 1.0 . 4.86 774 764 A 81 TRP H A 81 TRP HB2 1.0 . 3.63 775 765 A 81 TRP H A 81 TRP HB3 1.0 . 3.63 776 766 A 81 TRP H A 80 ASN HA 1.0 . 2.84 777 767 A 64 GLU HA A 63 ASP H 1.0 . 5.29 778 768 A 46 ASP HA A 47 GLU H 1.0 . 2.92 779 769 A 31 VAL HA A 32 GLU H 1.0 . 3.15 780 770 A 32 GLU H A 30 SER HA 1.0 . 4.51 781 771 A 33 SER HA A 34 ASP H 1.0 . 3.47 782 772 A 53 LEU HA A 57 ARG H 1.0 . 4.58 783 773 A 97 TYR HA A 100 GLU H 1.0 . 4.21 784 774 A 32 GLU HA A 34 ASP H 1.0 . 4.94 785 775 A 17 ARG H A 16 PRO HA 1.0 . 2.94 786 776 A 92 LEU HA A 95 ALA H 1.0 . 3.44 787 777 A 76 GLU HA A 76 GLU H 1.0 . 2.90 788 778 A 31 VAL H A 30 SER HA 1.0 . 2.87 789 779 A 83 TYR HA A 86 LEU H 1.0 . 4.26 790 780 A 45 LYS HA A 46 ASP H 1.0 . 3.14 791 781 A 67 MET HA A 70 LEU H 1.0 . 4.41 792 782 A 68 PRO HA A 72 LYS H 1.0 . 4.55 793 783 A 39 GLN HA A 42 LEU H 1.0 . 4.16 794 784 A 40 ALA HA A 42 LEU H 1.0 . 4.75 795 785 A 99 VAL HA A 101 ASP H 1.0 . 4.11 796 786 A 90 THR HB A 91 ALA H 1.0 . 3.47 797 787 A 92 LEU HA A 96 ILE H 1.0 . 4.27 798 788 A 94 ASP HA A 96 ILE H 1.0 . 5.50 799 789 A 72 LYS HA A 73 LEU H 1.0 . 3.56 800 790 A 57 ARG HA A 61 ILE H 1.0 . 3.01 801 791 A 72 LYS HA A 75 GLU H 1.0 . 3.71 802 792 A 71 MET HA A 74 LEU H 1.0 . 3.68 803 793 A 22 ILE HA A 23 SER H 1.0 . 3.22 804 794 A 44 ASN HA A 45 LYS H 1.0 . 3.25 805 795 A 81 TRP HA A 84 ILE H 1.0 . 3.59 806 796 A 88 ASN H A 87 ASP HA 1.0 . 3.24 807 797 A 103 ASN H A 102 GLU HA 1.0 . 3.25 808 798 A 57 ARG HA A 59 LEU H 1.0 . 4.23 809 799 A 44 ASN H A 43 THR HB 1.0 . 4.67 810 800 A 29 SER HA A 30 SER H 1.0 . 3.38 811 801 A 28 THR HB A 29 SER H 1.0 . 3.94 812 802 A 28 THR HA A 29 SER H 1.0 . 3.46 813 803 A 40 ALA HA A 41 MET H 1.0 . 3.54 814 804 A 91 ALA HA A 94 ASP H 1.0 . 3.80 815 805 A 64 GLU HA A 67 MET H 1.0 . 4.26 816 806 A 63 ASP HA A 67 MET H 1.0 . 4.02 817 807 A 80 ASN H A 79 GLY HA2 1.0 . 2.74 818 808 A 63 ASP HA A 66 THR H 1.0 . 3.66 819 809 A 59 LEU HA A 60 ASP H 1.0 . 3.34 820 810 A 60 ASP HA A 60 ASP H 1.0 . 2.60 821 811 A 57 ARG HA A 60 ASP H 1.0 . 3.77 822 812 A 58 GLN HA A 60 ASP H 1.0 . 4.18 823 813 A 63 ASP HA A 64 GLU H 1.0 . 3.45 824 814 A 62 PRO HA A 64 GLU H 1.0 . 3.75 825 815 A 82 SER H A 80 ASN HA 1.0 . 3.60 826 816 A 98 SER H A 95 ALA HA 1.0 . 3.66 827 817 A 97 TYR HA A 98 SER H 1.0 . 3.56 828 818 A 68 PRO HA A 71 MET H 1.0 . 3.96 829 819 A 67 MET HA A 71 MET H 1.0 . 4.86 830 820 A 28 THR H A 27 LEU HA 1.0 . 3.31 831 821 A 28 THR H A 28 THR HB 1.0 . 4.20 832 822 A 80 ASN HD21 A 80 ASN HA 1.0 . 3.67 833 823 A 80 ASN HD22 A 80 ASN HA 1.0 . 3.98 834 824 A 56 THR HB A 56 THR H 1.0 . 3.76 835 825 A 53 LEU HA A 56 THR H 1.0 . 3.64 836 826 A 58 GLN HA A 58 GLN HE21 1.0 . 4.35 837 827 A 25 SER HA A 26 GLY H 1.0 . 3.11 838 828 A 78 GLY H A 77 ALA HA 1.0 . 3.46 839 829 A 17 ARG HA A 18 GLY H 1.0 . 3.51 840 830 A 89 TYR H A 88 ASN HD21 1.0 . 4.41 841 831 A 78 GLY H A 75 GLU H 1.0 . 4.91 842 832 A 80 ASN H A 78 GLY H 1.0 . 4.80 843 833 A 55 ARG H A 56 THR H 1.0 . 3.10 844 834 A 28 THR H A 27 LEU H 1.0 . 4.71 845 835 A 69 VAL H A 71 MET H 1.0 . 4.16 846 836 A 82 SER H A 83 TYR H 1.0 . 3.22 847 837 A 98 SER H A 99 VAL H 1.0 . 2.97 848 838 A 97 TYR H A 98 SER H 1.0 . 2.93 849 839 A 84 ILE H A 82 SER H 1.0 . 4.22 850 840 A 65 LYS H A 64 GLU H 1.0 . 3.22 851 841 A 66 THR H A 64 GLU H 1.0 . 4.01 852 842 A 52 ALA H A 53 LEU H 1.0 . 2.96 853 843 A 59 LEU H A 60 ASP H 1.0 . 3.12 854 844 A 61 ILE H A 60 ASP H 1.0 . 3.05 855 845 A 58 GLN H A 60 ASP H 1.0 . 4.04 856 846 A 65 LYS H A 66 THR H 1.0 . 2.86 857 847 A 89 TYR H A 90 THR H 1.0 . 3.30 858 848 A 65 LYS H A 67 MET H 1.0 . 4.02 859 849 A 50 LEU H A 51 LYS H 1.0 . 3.10 860 850 A 54 GLU H A 55 ARG H 1.0 . 3.29 861 851 A 97 TYR HD1 A 97 TYR H 1.0 . 3.42 862 852 A 95 ALA H A 97 TYR H 1.0 . 4.19 863 853 A 84 ILE H A 83 TYR H 1.0 . 2.60 864 854 A 93 VAL H A 92 LEU H 1.0 . 2.99 865 855 A 84 ILE H A 85 LYS H 1.0 . 2.87 866 856 A 95 ALA H A 93 VAL H 1.0 . 4.09 867 857 A 84 ILE H A 83 TYR HD2 1.0 . 3.69 868 858 A 59 LEU H A 58 GLN H 1.0 . 3.04 869 859 A 44 ASN H A 43 THR H 1.0 . 3.69 870 860 A 49 VAL H A 50 LEU H 1.0 . 3.05 871 861 A 75 GLU H A 77 ALA H 1.0 . 4.35 872 862 A 83 TYR H A 83 TYR HD2 1.0 . 4.14 873 863 A 61 ILE H A 58 GLN H 1.0 . 5.32 874 864 A 95 ALA H A 96 ILE H 1.0 . 3.09 875 865 A 105 GLN H A 104 LYS H 1.0 . 3.14 876 866 A 77 ALA H A 76 GLU H 1.0 . 2.95 877 867 A 75 GLU H A 76 GLU H 1.0 . 2.93 878 868 A 46 ASP H A 49 VAL H 1.0 . 3.98 879 869 A 86 LEU H A 85 LYS H 1.0 . 3.34 880 870 A 100 GLU H A 99 VAL H 1.0 . 3.00 881 871 A 52 ALA H A 51 LYS H 1.0 . 3.14 882 872 A 57 ARG H A 58 GLN H 1.0 . 3.42 883 873 A 42 LEU H A 40 ALA H 1.0 . 4.56 884 874 A 80 ASN H A 81 TRP H 1.0 . 4.15 885 875 A 81 TRP H A 81 TRP HD1 1.0 . 3.45 886 876 A 63 ASP H A 64 GLU H 1.0 . 3.22 887 877 A 32 GLU H A 33 SER H 1.0 . 3.45 888 878 A 106 SER H A 107 GLU H 1.0 . 4.41 889 879 A 35 LEU H A 34 ASP H 1.0 . 2.70 890 880 A 95 ALA H A 94 ASP H 1.0 . 3.19 891 881 A 32 GLU H A 35 LEU H 1.0 . 5.50 892 882 A 103 ASN H A 104 LYS H 1.0 . 3.12 893 883 A 72 LYS H A 71 MET H 1.0 . 3.07 894 884 A 32 GLU H A 31 VAL H 1.0 . 3.31 895 885 A 46 ASP H A 47 GLU H 1.0 . 4.53 896 886 A 49 VAL H A 48 LYS H 1.0 . 3.05 897 887 A 98 SER H A 101 ASP H 1.0 . 4.70 898 888 A 35 LEU H A 36 ASP H 1.0 . 2.82 899 889 A 100 GLU H A 101 ASP H 1.0 . 3.08 900 890 A 74 LEU H A 73 LEU H 1.0 . 2.78 901 891 A 74 LEU H A 75 GLU H 1.0 . 2.94 902 892 A 93 VAL H A 94 ASP H 1.0 . 3.13 903 893 A 79 GLY H A 77 ALA H 1.0 . 3.91 904 894 A 88 ASN H A 87 ASP H 1.0 . 3.64 905 895 A 48 LYS H A 47 GLU H 1.0 . 3.39 906 896 A 70 LEU H A 69 VAL H 1.0 . 3.04 907 897 A 66 THR H A 67 MET H 1.0 . 3.30 908 898 A 51 LYS H A 48 LYS H 1.0 . 5.50 909 899 A 54 GLU H A 51 LYS H 1.0 . 5.50 910 900 A 80 ASN H A 79 GLY H 1.0 . 3.32 911 901 A 90 THR H A 91 ALA H 1.0 . 3.70 912 902 A 92 LEU H A 91 ALA H 1.0 . 3.52 913 903 A 82 SER H A 81 TRP H 1.0 . 3.28 914 904 A 70 LEU H A 71 MET H 1.0 . 3.22 915 905 A 73 LEU H A 71 MET H 1.0 . 4.35 916 906 A 54 GLU H A 56 THR H 1.0 . 4.10 917 907 A 57 ARG H A 56 THR H 1.0 . 3.31 918 908 A 78 GLY H A 76 GLU H 1.0 . 3.87 919 909 A 26 GLY H A 27 LEU H 1.0 . 4.44 920 910 A 79 GLY HA2 A 78 GLY H 1.0 . 5.22 921 911 A 22 ILE HG2% A 24 LEU H 1.0 . 4.25 922 912 A 50 LEU HD1% A 47 GLU H 1.0 . 4.81 923 913 A 56 THR HG2% A 57 ARG H 1.0 . 4.01 924 914 A 61 ILE HD1% A 57 ARG H 1.0 . 5.38 925 915 A 86 LEU HB2 A 87 ASP H 1.0 . 4.10 926 916 A 31 VAL HG1% A 34 ASP H 1.0 . 5.31 927 917 A 93 VAL HB A 95 ALA H 1.0 . 4.99 928 918 A 85 LYS HG2 A 86 LEU H 1.0 . 4.43 929 919 A 72 LYS H A 70 LEU HD1% 1.0 . 5.50 930 920 A 90 THR HG2% A 91 ALA H 1.0 . 3.53 931 921 A 84 ILE HD1% A 75 GLU H 1.0 . 5.13 932 922 A 84 ILE HD1% A 83 TYR H 1.0 . 5.50 933 923 A 75 GLU H A 74 LEU HD1% 1.0 . 5.24 934 924 A 75 GLU H A 74 LEU HD2% 1.0 . 5.24 935 925 A 49 VAL H A 48 LYS HB3 1.0 . 4.36 936 926 A 50 LEU HG A 49 VAL H 1.0 . 4.04 937 927 A 45 LYS H A 45 LYS HD2 1.0 . 4.16 938 928 A 45 LYS H A 45 LYS HD3 1.0 . 4.16 939 929 A 74 LEU HB3 A 74 LEU H 1.0 . 3.62 940 930 A 52 ALA HB% A 50 LEU H 1.0 . 5.10 941 931 A 65 LYS HD2 A 65 LYS H 1.0 . 5.08 942 932 A 66 THR HG2% A 69 VAL H 1.0 . 4.24 943 933 A 70 LEU HB3 A 69 VAL H 1.0 . 4.92 944 934 A 58 GLN HE22 A 58 GLN HB3 1.0 . 4.83 945 935 A 58 GLN HE21 A 58 GLN HB3 1.0 . 4.80 946 936 A 81 TRP HA A 85 LYS H 1.0 . 3.95 947 937 A 56 THR H A 57 ARG HG2 1.0 . 4.59 948 937 A 57 ARG HG3 A 56 THR H 1.0 . 4.59 949 938 A 41 MET HB2 A 43 THR H 1.0 . 5.05 950 939 A 55 ARG HE A 88 ASN HB2 1.0 . 4.50 951 940 A 69 VAL HA A 71 MET H 1.0 . 4.59 952 941 A 99 VAL HB A 98 SER H 1.0 . 5.28 953 942 A 80 ASN HB3 A 83 TYR H 1.0 . 3.49 954 943 A 78 GLY H A 76 GLU HB2 1.0 . 4.79 955 944 A 74 LEU HA A 78 GLY H 1.0 . 4.54 956 945 A 85 LYS HD2 A 85 LYS H 1.0 . 3.71 957 946 A 55 ARG HG3 A 56 THR H 1.0 . 4.23 958 947 A 43 THR H A 43 THR HB 1.0 . 3.48 959 948 A 83 TYR HB3 A 80 ASN HD22 1.0 . 4.95 960 949 A 83 TYR HB3 A 80 ASN HD21 1.0 . 4.39 961 950 A 55 ARG HA A 55 ARG HE 1.0 . 4.94 962 951 A 57 ARG H A 57 ARG HE 1.0 . 4.56 963 952 A 96 ILE HA A 98 SER H 1.0 . 4.06 964 953 A 82 SER H A 81 TRP HD1 1.0 . 4.93 965 954 A 65 LYS HB3 A 64 GLU H 1.0 . 4.92 966 955 A 87 ASP H A 87 ASP HB2 1.0 . 4.02 967 956 A 81 TRP HZ3 A 52 ALA H 1.0 . 4.44 968 957 A 81 TRP HH2 A 52 ALA H 1.0 . 4.69 969 958 A 89 TYR HE1 A 52 ALA H 1.0 . 5.37 970 959 A 81 TRP HE1 A 48 LYS HE3 1.0 . 4.13 971 960 A 81 TRP HE1 A 48 LYS HE2 1.0 . 4.13 972 961 A 79 GLY HA3 A 81 TRP HE1 1.0 . 5.45 973 962 A 49 VAL HG2% A 81 TRP HE1 1.0 . 4.46 974 963 A 74 LEU HG A 81 TRP HE1 1.0 . 5.50 975 964 A 81 TRP HE1 A 48 LYS HD3 1.0 . 4.56 976 965 A 81 TRP HE1 A 48 LYS HD2 1.0 . 4.56 977 966 A 81 TRP HE1 A 74 LEU HD1% 1.0 . 4.22 978 967 A 81 TRP HE1 A 74 LEU HD2% 1.0 . 4.22 979 968 A 66 THR HB A 63 ASP H 1.0 . 4.96 980 969 A 62 PRO HG2 A 63 ASP H 1.0 . 4.94 981 970 A 62 PRO HA A 63 ASP H 1.0 . 2.72 982 971 A 61 ILE HG2% A 63 ASP H 1.0 . 5.30 983 972 A 81 TRP H A 82 SER HB2 1.0 . 4.40 984 972 A 82 SER HB3 A 81 TRP H 1.0 . 4.40 985 973 A 63 ASP H A 65 LYS H 1.0 . 4.75 986 974 A 63 ASP H A 66 THR H 1.0 . 4.80 987 975 A 83 TYR H A 81 TRP H 1.0 . 4.74 988 976 A 84 ILE HD1% A 81 TRP H 1.0 . 4.28 989 977 A 22 ILE HA A 24 LEU H 1.0 . 4.61 990 978 A 49 VAL H A 47 GLU H 1.0 . 4.27 991 979 A 47 GLU H A 47 GLU HG3 1.0 . 3.81 992 980 A 47 GLU H A 47 GLU HG2 1.0 . 3.81 993 981 A 32 GLU H A 32 GLU HB3 1.0 . 3.72 994 982 A 32 GLU H A 32 GLU HB2 1.0 . 3.72 995 983 A 43 THR HG2% A 40 ALA H 1.0 . 4.09 996 984 A 57 ARG H A 57 ARG HD3 1.0 . 5.20 997 985 A 58 GLN HB2 A 57 ARG H 1.0 . 5.07 998 986 A 57 ARG H A 59 LEU H 1.0 . 4.55 999 987 A 57 ARG H A 55 ARG H 1.0 . 4.14 1000 988 A 52 ALA H A 54 GLU H 1.0 . 4.12 1001 989 A 52 ALA H A 50 LEU H 1.0 . 4.32 1002 990 A 87 ASP H A 86 LEU H 1.0 . 4.51 1003 991 A 70 LEU HB2 A 52 ALA H 1.0 . 5.50 1004 992 A 31 VAL HA A 34 ASP H 1.0 . 5.22 1005 993 A 65 LYS HD3 A 100 GLU H 1.0 . 5.50 1006 994 A 95 ALA H A 91 ALA HB% 1.0 . 4.78 1007 995 A 85 LYS HB3 A 86 LEU H 1.0 . 4.34 1008 996 A 40 ALA HB% A 42 LEU H 1.0 . 4.97 1009 997 A 43 THR HG2% A 42 LEU H 1.0 . 4.24 1010 998 A 69 VAL HG2% A 96 ILE H 1.0 . 4.02 1011 999 A 73 LEU HB2 A 75 GLU H 1.0 . 4.80 1012 1000 A 85 LYS HG2 A 84 ILE H 1.0 . 5.50 1013 1001 A 84 ILE HD1% A 77 ALA H 1.0 . 4.76 1014 1002 A 56 THR HG2% A 55 ARG H 1.0 . 4.20 1015 1003 A 92 LEU HD2% A 55 ARG H 1.0 . 4.57 1016 1004 A 28 THR HG2% A 29 SER H 1.0 . 4.55 1017 1005 A 66 THR HG2% A 54 GLU H 1.0 . 5.50 1018 1006 A 56 THR HG2% A 54 GLU H 1.0 . 4.77 1019 1007 A 84 ILE HG2% A 90 THR H 1.0 . 5.15 1020 1008 A 92 LEU HD2% A 90 THR H 1.0 . 5.44 1021 1009 A 69 VAL HG2% A 67 MET H 1.0 . 5.00 1022 1010 A 65 LYS HG3 A 66 THR H 1.0 . 4.43 1023 1011 A 50 LEU HB3 A 53 LEU H 1.0 . 5.50 1024 1012 A 61 ILE HB A 60 ASP H 1.0 . 5.50 1025 1013 A 96 ILE HD1% A 98 SER H 1.0 . 5.50 1026 1014 A 96 ILE HG2% A 98 SER H 1.0 . 4.83 1027 1015 A 84 ILE HD1% A 82 SER H 1.0 . 5.34 1028 1016 A 85 LYS HD2 A 82 SER H 1.0 . 3.96 1029 1017 A 77 ALA HB% A 80 ASN HD21 1.0 . 5.38 1030 1018 A 97 TYR HB2 A 96 ILE H 1.0 . 5.12 1031 1019 A 22 ILE HB A 21 MET H 1.0 . 5.50 1032 1020 A 72 LYS HB3 A 74 LEU H 1.0 . 5.50 1033 1021 A 94 ASP HB3 A 93 VAL H 1.0 . 5.50 1034 1022 A 94 ASP HB2 A 93 VAL H 1.0 . 5.27 1035 1023 A 80 ASN HB3 A 84 ILE H 1.0 . 3.99 1036 1024 A 58 GLN HG2 A 59 LEU H 1.0 . 4.92 1037 1025 A 50 LEU HG A 48 LYS H 1.0 . 5.25 1038 1026 A 42 LEU HB2 A 41 MET H 1.0 . 4.76 1039 1027 A 93 VAL HA A 97 TYR H 1.0 . 5.50 1040 1028 A 52 ALA HA A 51 LYS H 1.0 . 5.50 1041 1029 A 90 THR H A 87 ASP HB2 1.0 . 4.02 1042 1030 A 85 LYS HA A 90 THR H 1.0 . 5.09 1043 1031 A 88 ASN HB3 A 90 THR H 1.0 . 4.44 1044 1032 A 60 ASP H A 57 ARG HG2 1.0 . 5.50 1045 1032 A 57 ARG HG3 A 60 ASP H 1.0 . 5.50 1046 1033 A 103 ASN HD21 A 102 GLU HB2 1.0 . 5.50 1047 1034 A 103 ASN HD21 A 102 GLU HB3 1.0 . 5.50 1048 1035 A 55 ARG HD3 A 88 ASN HD21 1.0 . 4.68 1049 1036 A 55 ARG HD2 A 88 ASN HD22 1.0 . 4.74 1050 1037 A 85 LYS HB2 A 89 TYR H 1.0 . 4.32 1051 1038 A 58 GLN HB2 A 56 THR H 1.0 . 5.36 1052 1039 A 74 LEU HA A 76 GLU H 1.0 . 4.77 1053 1040 A 105 GLN H A 103 ASN HA 1.0 . 5.13 1054 1041 A 70 LEU HA A 72 LYS H 1.0 . 4.59 1055 1042 A 97 TYR HA A 99 VAL H 1.0 . 4.99 1056 1043 A 68 PRO HA A 70 LEU H 1.0 . 5.40 1057 1044 A 71 MET HA A 70 LEU H 1.0 . 5.50 1058 1045 A 105 GLN H A 105 GLN HA 1.0 . 2.93 1059 1046 A 62 PRO HD2 A 61 ILE H 1.0 . 4.93 1060 1047 A 56 THR HA A 61 ILE H 1.0 . 5.28 1061 1048 A 46 ASP HA A 49 VAL H 1.0 . 4.68 1062 1049 A 83 TYR H A 80 ASN HA 1.0 . 5.03 1063 1050 A 56 THR HA A 58 GLN H 1.0 . 4.40 1064 1051 A 60 ASP HA A 58 GLN H 1.0 . 5.50 1065 1052 A 59 LEU HA A 58 GLN H 1.0 . 5.50 1066 1053 A 84 ILE H A 82 SER HB2 1.0 . 4.90 1067 1053 A 82 SER HB3 A 84 ILE H 1.0 . 4.90 1068 1054 A 86 LEU HA A 88 ASN H 1.0 . 4.13 1069 1055 A 46 ASP HA A 48 LYS H 1.0 . 4.93 1070 1056 A 66 THR HB A 65 LYS H 1.0 . 4.46 1071 1057 A 67 MET HA A 69 VAL H 1.0 . 4.03 1072 1058 A 70 LEU HA A 69 VAL H 1.0 . 5.49 1073 1059 A 97 TYR H A 95 ALA HA 1.0 . 4.75 1074 1060 A 53 LEU HA A 55 ARG H 1.0 . 5.46 1075 1061 A 55 ARG HD3 A 55 ARG H 1.0 . 5.36 1076 1062 A 94 ASP H A 95 ALA HA 1.0 . 5.38 1077 1063 A 106 SER H A 105 GLN HA 1.0 . 3.25 1078 1064 A 88 ASN HA A 90 THR H 1.0 . 4.67 1079 1065 A 62 PRO HA A 66 THR H 1.0 . 5.50 1080 1066 A 80 ASN H A 77 ALA HA 1.0 . 5.00 1081 1067 A 74 LEU HA A 80 ASN H 1.0 . 5.50 1082 1068 A 90 THR HB A 90 THR H 1.0 . 3.07 1083 1069 A 81 TRP HA A 80 ASN H 1.0 . 4.79 1084 1070 A 68 PRO HD2 A 66 THR H 1.0 . 5.33 1085 1071 A 31 VAL HA A 33 SER H 1.0 . 5.50 1086 1072 A 90 THR HA A 92 LEU H 1.0 . 4.07 1087 1073 A 34 ASP HA A 33 SER H 1.0 . 4.55 1088 1074 A 56 THR HA A 60 ASP H 1.0 . 5.50 1089 1075 A 23 SER HA A 25 SER H 1.0 . 4.92 1090 1076 A 57 ARG HA A 57 ARG HE 1.0 . 5.10 1091 1077 A 54 GLU HA A 57 ARG HE 1.0 . 5.47 1092 1078 A 100 GLU HA A 103 ASN HD22 1.0 . 4.50 1093 1079 A 99 VAL HA A 103 ASN HD22 1.0 . 5.34 1094 1080 A 100 GLU HA A 103 ASN HD21 1.0 . 4.58 1095 1081 A 101 ASP HA A 103 ASN HD21 1.0 . 5.13 1096 1082 A 101 ASP HA A 103 ASN HD22 1.0 . 5.50 1097 1083 A 80 ASN HD22 A 82 SER HB2 1.0 . 3.96 1098 1083 A 82 SER HB3 A 80 ASN HD22 1.0 . 3.96 1099 1084 A 80 ASN HD21 A 82 SER HB2 1.0 . 4.34 1100 1084 A 82 SER HB3 A 80 ASN HD21 1.0 . 4.34 1101 1085 A 90 THR HA A 89 TYR H 1.0 . 5.31 1102 1086 A 55 ARG HD3 A 88 ASN HD22 1.0 . 5.33 1103 1087 A 88 ASN HA A 88 ASN HD22 1.0 . 4.46 1104 1088 A 55 ARG HA A 88 ASN HD22 1.0 . 4.66 1105 1089 A 55 ARG HA A 88 ASN HD21 1.0 . 5.50 1106 1090 A 89 TYR H A 87 ASP HA 1.0 . 5.12 1107 1091 A 90 THR HB A 89 TYR H 1.0 . 5.12 1108 1092 A 95 ALA H A 92 LEU H 1.0 . 4.64 1109 1093 A 72 LYS H A 69 VAL H 1.0 . 4.83 1110 1094 A 86 LEU H A 84 ILE H 1.0 . 4.15 1111 1095 A 97 TYR HD1 A 96 ILE H 1.0 . 4.60 1112 1096 A 103 ASN HD22 A 102 GLU H 1.0 . 5.50 1113 1097 A 80 ASN H A 84 ILE H 1.0 . 5.50 1114 1098 A 89 TYR HD2 A 84 ILE H 1.0 . 5.50 1115 1099 A 89 TYR HD2 A 88 ASN H 1.0 . 5.14 1116 1100 A 94 ASP H A 92 LEU H 1.0 . 4.41 1117 1101 A 90 THR H A 92 LEU H 1.0 . 4.39 1118 1102 A 69 VAL H A 67 MET H 1.0 . 4.26 1119 1103 A 90 THR H A 55 ARG HE 1.0 . 5.50 1120 1104 A 55 ARG H A 53 LEU H 1.0 . 4.92 1121 1105 A 80 ASN H A 82 SER H 1.0 . 5.50 1122 1106 A 56 THR H A 58 GLN H 1.0 . 4.07 1123 1107 A 84 ILE H A 80 ASN HD21 1.0 . 4.75 1124 1108 A 104 LYS H A 105 GLN HE22 1.0 . 5.39 1125 1109 A 95 ALA H A 98 SER H 1.0 . 4.84 1126 1110 A 105 GLN H A 105 GLN HE22 1.0 . 5.50 1127 1111 A 70 LEU H A 72 LYS H 1.0 . 4.61 1128 1112 A 72 LYS H A 73 LEU H 1.0 . 3.02 1129 1113 A 99 VAL H A 101 ASP H 1.0 . 4.40 1130 1114 A 72 LYS H A 75 GLU H 1.0 . 5.19 1131 1115 A 73 LEU H A 75 GLU H 1.0 . 4.08 1132 1116 A 96 ILE H A 93 VAL H 1.0 . 4.98 1133 1117 A 45 LYS H A 44 ASN H 1.0 . 4.46 1134 1118 A 79 GLY H A 74 LEU H 1.0 . 5.44 1135 1119 A 103 ASN HD21 A 103 ASN H 1.0 . 2.75 1136 1120 A 88 ASN H A 85 LYS H 1.0 . 5.39 1137 1121 A 31 VAL H A 30 SER H 1.0 . 4.55 1138 1122 A 54 GLU H A 57 ARG HE 1.0 . 5.27 1139 1123 A 55 ARG H A 58 GLN H 1.0 . 5.18 1140 1124 A 97 TYR H A 99 VAL H 1.0 . 5.49 1141 1125 A 96 ILE H A 94 ASP H 1.0 . 4.64 1142 1126 A 97 TYR H A 94 ASP H 1.0 . 4.99 1143 1127 A 49 VAL H A 51 LYS H 1.0 . 4.37 1144 1128 A 93 VAL H A 90 THR H 1.0 . 5.28 1145 1129 A 80 ASN H A 80 ASN HD21 1.0 . 4.81 1146 1130 A 33 SER H A 35 LEU H 1.0 . 4.16 1147 1131 A 24 LEU H A 25 SER H 1.0 . 3.19 1148 1132 A 105 GLN HE21 A 104 LYS H 1.0 . 3.59 1149 1133 A 39 GLN H A 39 GLN HE21 1.0 . 3.99 1150 1134 A 105 GLN HE21 A 105 GLN H 1.0 . 3.03 1151 1135 A 89 TYR HE2 A 89 TYR H 1.0 . 4.53 1152 1136 A 93 VAL H A 91 ALA H 1.0 . 4.59 1153 1137 A 50 LEU H A 47 GLU H 1.0 . 5.48 1154 1138 A 67 MET H A 64 GLU H 1.0 . 4.76 1155 1139 A 57 ARG H A 60 ASP H 1.0 . 5.45 1156 1140 A 17 ARG H A 16 PRO HG2 1.0 . 4.99 1157 1140 A 17 ARG H A 16 PRO HG3 1.0 . 4.99 1158 1141 A 105 GLN H A 104 LYS HD2 1.0 . 5.50 1159 1142 A 105 GLN H A 104 LYS HD3 1.0 . 5.50 1160 1143 A 73 LEU HD2% A 72 LYS H 1.0 . 4.32 1161 1144 A 46 ASP H A 45 LYS HG3 1.0 . 4.78 1162 1145 A 46 ASP H A 45 LYS HG2 1.0 . 4.78 1163 1146 A 96 ILE HB A 96 ILE H 1.0 . 2.91 1164 1147 A 101 ASP H A 99 VAL HG1% 1.0 . 5.50 1165 1148 A 61 ILE HD1% A 96 ILE H 1.0 . 5.50 1166 1149 A 93 VAL HG2% A 96 ILE H 1.0 . 5.50 1167 1150 A 31 VAL HG1% A 31 VAL H 1.0 . 3.01 1168 1151 A 31 VAL HG2% A 31 VAL H 1.0 . 3.21 1169 1152 A 101 ASP H A 99 VAL HG2% 1.0 . 5.50 1170 1153 A 96 ILE HG2% A 101 ASP H 1.0 . 5.50 1171 1154 A 84 ILE HD1% A 73 LEU H 1.0 . 4.64 1172 1155 A 67 MET HB2 A 67 MET H 1.0 . 2.94 1173 1156 A 80 ASN H A 84 ILE HG13 1.0 . 5.50 1174 1157 A 80 ASN H A 77 ALA HB% 1.0 . 3.08 1175 1158 A 92 LEU HG A 92 LEU H 1.0 . 2.84 1176 1159 A 100 GLU HB3 A 103 ASN HD22 1.0 . 5.50 1177 1160 A 61 ILE HB A 56 THR H 1.0 . 5.47 1178 1161 A 58 GLN HE21 A 57 ARG HG2 1.0 . 4.18 1179 1161 A 57 ARG HG3 A 58 GLN HE21 1.0 . 4.18 1180 1162 A 84 ILE HG2% A 89 TYR H 1.0 . 4.36 1181 1163 A 92 LEU HD2% A 88 ASN HD22 1.0 . 5.45 1182 1164 A 76 GLU HB2 A 76 GLU H 1.0 . 3.33 1183 1165 A 99 VAL HB A 101 ASP H 1.0 . 5.50 1184 1166 A 49 VAL HB A 46 ASP H 1.0 . 3.69 1185 1167 A 84 ILE HA A 83 TYR H 1.0 . 5.31 1186 1168 A 58 GLN HE22 A 57 ARG HG2 1.0 . 4.20 1187 1168 A 57 ARG HG3 A 58 GLN HE22 1.0 . 4.20 1188 1169 A 41 MET HA A 40 ALA H 1.0 . 5.22 1189 1170 A 31 VAL HA A 35 LEU H 1.0 . 5.41 1190 1171 A 98 SER HA A 98 SER H 1.0 . 2.91 1191 1172 A 100 GLU H A 103 ASN HD22 1.0 . 5.50 1192 1173 A 58 GLN HE22 A 58 GLN H 1.0 . 5.50 1193 1174 A 103 ASN HD21 A 104 LYS H 1.0 . 4.41 1194 1175 A 89 TYR H A 85 LYS H 1.0 . 5.09 1195 1176 A 40 ALA H A 39 GLN HE21 1.0 . 5.26 1196 1177 A 60 ASP HA A 61 ILE H 1.0 . 3.15 1197 1178 A 84 ILE HD1% A 76 GLU H 1.0 . 5.50 1198 1179 A 73 LEU HB2 A 77 ALA H 1.0 . 5.50 1199 1180 A 84 ILE HG13 A 84 ILE H 1.0 . 3.07 1200 1181 A 69 VAL HB A 69 VAL H 1.0 . 2.77 1201 1182 A 92 LEU HD2% A 92 LEU H 1.0 . 3.46 1202 1183 A 84 ILE HG2% A 91 ALA H 1.0 . 4.69 1203 1184 A 96 ILE HG2% A 99 VAL H 1.0 . 4.83 1204 1185 A 22 ILE HG2% A 22 ILE H 1.0 . 3.00 1205 1186 A 96 ILE HG2% A 100 GLU H 1.0 . 4.25 1206 1187 A 84 ILE HB A 81 TRP H 1.0 . 5.50 1207 1188 A 42 LEU HB2 A 40 ALA H 1.0 . 5.50 1208 1189 A 61 ILE HB A 57 ARG H 1.0 . 4.88 1209 1190 A 34 ASP H A 32 GLU HG2 1.0 . 5.50 1210 1191 A 34 ASP H A 32 GLU HG3 1.0 . 5.50 1211 1192 A 100 GLU H A 65 LYS HE2 1.0 . 5.50 1212 1193 A 100 GLU H A 65 LYS HE3 1.0 . 5.50 1213 1194 A 22 ILE HB A 22 ILE H 1.0 . 3.69 1214 1195 A 84 ILE HB A 86 LEU H 1.0 . 5.29 1215 1196 A 99 VAL HB A 99 VAL H 1.0 . 2.89 1216 1197 A 45 LYS H A 45 LYS HE2 1.0 . 5.41 1217 1198 A 45 LYS H A 45 LYS HE3 1.0 . 5.41 1218 1199 A 58 GLN HB3 A 60 ASP H 1.0 . 5.30 1219 1200 A 58 GLN HB2 A 60 ASP H 1.0 . 5.50 1220 1201 A 96 ILE HB A 98 SER H 1.0 . 5.44 1221 1202 A 84 ILE HB A 82 SER H 1.0 . 5.17 1222 1203 A 99 VAL HA A 103 ASN HD21 1.0 . 5.50 1223 1204 A 65 LYS HA A 64 GLU H 1.0 . 5.49 1224 1205 A 89 TYR HA A 91 ALA H 1.0 . 5.16 1225 1206 A 93 VAL HA A 95 ALA H 1.0 . 5.32 1226 1207 A 96 ILE HA A 95 ALA H 1.0 . 5.50 1227 1208 A 81 TRP H A 81 TRP HE1 1.0 . 4.96 1228 1209 A 40 ALA HB% A 40 ALA H 1.0 . 2.84 1229 1210 A 57 ARG H A 54 GLU H 1.0 . 4.84 1230 1211 A 57 ARG H A 61 ILE H 1.0 . 4.89 1231 1212 A 91 ALA H A 91 ALA HB% 1.0 . 3.20 1232 1213 A 74 LEU H A 72 LYS H 1.0 . 4.77 1233 1214 A 101 ASP H A 101 ASP HB2 1.0 . 3.47 1234 1215 A 101 ASP H A 101 ASP HB3 1.0 . 3.47 1235 1216 A 84 ILE HA A 91 ALA H 1.0 . 5.49 1236 1217 A 81 TRP HH2 A 49 VAL H 1.0 . 4.93 1237 1218 A 103 ASN HD22 A 103 ASN H 1.0 . 4.37 1238 1219 A 38 GLN H A 38 GLN HG2 1.0 . 5.26 1239 1220 A 38 GLN H A 38 GLN HG3 1.0 . 5.26 1240 1221 A 95 ALA HB% A 99 VAL H 1.0 . 5.01 1241 1222 A 47 GLU HA A 46 ASP H 1.0 . 5.19 1242 1223 A 68 PRO HG2 A 69 VAL H 1.0 . 3.25 1243 1224 A 49 VAL HG2% A 51 LYS H 1.0 . 5.50 1244 1225 A 53 LEU HB2 A 51 LYS H 1.0 . 5.50 1245 1226 A 53 LEU HG A 54 GLU H 1.0 . 4.96 1246 1227 A 67 MET HB3 A 67 MET H 1.0 . 3.56 1247 1228 A 93 VAL HB A 90 THR H 1.0 . 5.50 1248 1229 A 62 PRO HD2 A 64 GLU H 1.0 . 5.50 1249 1230 A 22 ILE HG2% A 25 SER H 1.0 . 5.50 1250 1231 A 25 SER H A 24 LEU HD1% 1.0 . 5.50 1251 1232 A 25 SER H A 24 LEU HD2% 1.0 . 5.50 1252 1233 A 58 GLN HE21 A 60 ASP H 1.0 . 5.50 1253 1234 A 92 LEU HD2% A 88 ASN HD21 1.0 . 4.36 1254 1235 A 55 ARG HB2 A 88 ASN HD21 1.0 . 4.68 1255 1236 A 89 TYR H A 88 ASN HB3 1.0 . 4.34 1256 1237 A 79 GLY H A 76 GLU H 1.0 . 5.50 1257 1238 A 74 LEU HA A 79 GLY H 1.0 . 4.06 1258 1239 A 79 GLY H A 77 ALA HA 1.0 . 4.44 1259 1240 A 80 ASN HB2 A 79 GLY H 1.0 . 5.09 1260 1241 A 77 ALA HB% A 79 GLY H 1.0 . 3.62 1261 1242 A 74 LEU HB3 A 79 GLY H 1.0 . 4.39 1262 1243 A 74 LEU HG A 79 GLY H 1.0 . 4.84 1263 1244 A 53 LEU HB2 A 56 THR H 1.0 . 5.50 1264 1245 A 52 ALA HB% A 56 THR H 1.0 . 5.02 1265 1246 A 52 ALA HA A 56 THR H 1.0 . 5.35 1266 1247 A 55 ARG HD2 A 56 THR H 1.0 . 5.18 1267 1248 A 55 ARG HD3 A 56 THR H 1.0 . 5.31 1268 1249 A 81 TRP HZ2 A 74 LEU HD2% 1.0 . 4.09 1269 1250 A 81 TRP HZ2 A 74 LEU HD1% 1.0 . 4.09 1270 1251 A 49 VAL HB A 81 TRP HZ2 1.0 . 5.50 1271 1252 A 49 VAL HA A 81 TRP HZ2 1.0 . 4.00 1272 1253 A 49 VAL HG1% A 81 TRP HZ2 1.0 . 5.20 1273 1254 A 49 VAL HG2% A 81 TRP HZ2 1.0 . 3.61 1274 1255 A 83 TYR HA A 83 TYR HD1 1.0 . 3.53 1275 1256 A 97 TYR HA A 97 TYR HD1 1.0 . 3.52 1276 1257 A 83 TYR HB3 A 83 TYR HD2 1.0 . 3.44 1277 1258 A 83 TYR HB2 A 83 TYR HD1 1.0 . 3.36 1278 1259 A 77 ALA HB% A 83 TYR HD2 1.0 . 3.67 1279 1260 A 84 ILE HG12 A 83 TYR HD2 1.0 . 3.45 1280 1261 A 94 ASP HA A 97 TYR HD1 1.0 . 5.45 1281 1262 A 94 ASP HA A 97 TYR HD2 1.0 . 5.50 1282 1263 A 93 VAL HG1% A 97 TYR HD1 1.0 . 3.77 1283 1264 A 49 VAL HG1% A 81 TRP HH2 1.0 . 3.77 1284 1265 A 52 ALA HB% A 81 TRP HH2 1.0 . 3.94 1285 1266 A 84 ILE HB A 81 TRP HE3 1.0 . 3.89 1286 1267 A 81 TRP HE3 A 85 LYS HB3 1.0 . 4.12 1287 1268 A 84 ILE HG2% A 81 TRP HE3 1.0 . 3.81 1288 1269 A 84 ILE HG2% A 81 TRP HZ3 1.0 . 4.16 1289 1270 A 52 ALA HB% A 89 TYR HE1 1.0 . 3.70 1290 1271 A 85 LYS HB3 A 89 TYR HE2 1.0 . 3.84 1291 1272 A 83 TYR HE2 A 84 ILE HG12 1.0 . 3.80 1292 1273 A 83 TYR HA A 83 TYR HE1 1.0 . 5.50 1293 1274 A 97 TYR HA A 97 TYR HE1 1.0 . 4.86 1294 1275 A 86 LEU HB3 A 83 TYR HE1 1.0 . 5.42 1295 1276 A 81 TRP HE3 A 89 TYR HE2 1.0 . 3.83 1296 1277 A 52 ALA HB% A 89 TYR HD1 1.0 . 4.09 1297 1278 A 84 ILE HG13 A 83 TYR HD2 1.0 . 4.39 1298 1279 A 84 ILE HD1% A 83 TYR HD2 1.0 . 5.21 1299 1280 A 85 LYS HA A 89 TYR HE2 1.0 . 4.00 1300 1281 A 52 ALA HA A 89 TYR HE1 1.0 . 4.01 1301 1282 A 89 TYR HD2 A 88 ASN HA 1.0 . 4.77 1302 1283 A 89 TYR HA A 89 TYR HD2 1.0 . 4.01 1303 1284 A 81 TRP HA A 81 TRP HD1 1.0 . 4.57 1304 1285 A 15 VAL HA A 16 PRO HD2 1.0 . 2.35 1305 1285 A 15 VAL HA A 16 PRO HD3 1.0 . 2.35 1306 1286 A 15 VAL HB A 16 PRO HD2 1.0 . 2.92 1307 1286 A 15 VAL HB A 16 PRO HD3 1.0 . 2.92 1308 1287 A 17 ARG H A 16 PRO HB3 1.0 . 3.76 1309 1287 A 17 ARG H A 16 PRO HB2 1.0 . 3.76 1310 1288 A 17 ARG H A 16 PRO HD2 1.0 . 4.96 1311 1288 A 17 ARG H A 16 PRO HD3 1.0 . 4.96 1312 1289 A 17 ARG H A 17 ARG HB2 1.0 . 3.46 1313 1289 A 17 ARG H A 17 ARG HB3 1.0 . 3.46 1314 1290 A 17 ARG H A 17 ARG HGx 1.0 . 4.76 1315 1290 A 17 ARG H A 17 ARG HG3 1.0 . 4.76 1316 1291 A 17 ARG HA A 17 ARG HGx 1.0 . 3.50 1317 1291 A 17 ARG HA A 17 ARG HG3 1.0 . 3.50 1318 1292 A 17 ARG HA A 17 ARG HDx 1.0 . 4.13 1319 1292 A 17 ARG HA A 17 ARG HD3 1.0 . 4.13 1320 1293 A 17 ARG HA A 18 GLY HA2 1.0 . 4.57 1321 1293 A 17 ARG HA A 18 GLY HA3 1.0 . 4.57 1322 1294 A 17 ARG HB2 A 17 ARG HDx 1.0 . 3.27 1323 1294 A 17 ARG HB3 A 17 ARG HDx 1.0 . 3.27 1324 1294 A 17 ARG HD3 A 17 ARG HB2 1.0 . 3.27 1325 1294 A 17 ARG HB3 A 17 ARG HD3 1.0 . 3.27 1326 1295 A 18 GLY H A 17 ARG HB2 1.0 . 4.29 1327 1295 A 18 GLY H A 17 ARG HB3 1.0 . 4.29 1328 1296 A 19 SER H A 19 SER HB2 1.0 . 3.70 1329 1296 A 19 SER H A 19 SER HB3 1.0 . 3.70 1330 1297 A 21 MET HA A 21 MET HG2 1.0 . 3.57 1331 1297 A 21 MET HA A 21 MET HG3 1.0 . 3.57 1332 1298 A 22 ILE H A 22 ILE HG13 1.0 . 4.55 1333 1298 A 22 ILE H A 22 ILE HG12 1.0 . 4.55 1334 1299 A 22 ILE HB A 24 LEU HB2 1.0 . 5.34 1335 1299 A 22 ILE HB A 24 LEU HB3 1.0 . 5.34 1336 1300 A 22 ILE HG2% A 22 ILE HG13 1.0 . 2.87 1337 1300 A 22 ILE HG2% A 22 ILE HG12 1.0 . 2.87 1338 1301 A 22 ILE HG2% A 23 SER HB3 1.0 . 5.34 1339 1301 A 22 ILE HG2% A 23 SER HB2 1.0 . 5.34 1340 1302 A 22 ILE HG2% A 24 LEU HB2 1.0 . 4.85 1341 1302 A 22 ILE HG2% A 24 LEU HB3 1.0 . 4.85 1342 1303 A 23 SER H A 23 SER HB3 1.0 . 3.60 1343 1303 A 23 SER H A 23 SER HB2 1.0 . 3.60 1344 1304 A 24 LEU H A 24 LEU HB2 1.0 . 3.21 1345 1304 A 24 LEU H A 24 LEU HB3 1.0 . 3.21 1346 1305 A 24 LEU HA A 24 LEU HD2% 1.0 . 3.07 1347 1305 A 24 LEU HA A 24 LEU HD1% 1.0 . 3.07 1348 1306 A 25 SER HA A 26 GLY HA2 1.0 . 4.83 1349 1306 A 25 SER HA A 26 GLY HA3 1.0 . 4.83 1350 1307 A 27 LEU H A 26 GLY HA2 1.0 . 2.71 1351 1307 A 27 LEU H A 26 GLY HA3 1.0 . 2.71 1352 1308 A 27 LEU HA A 26 GLY HA2 1.0 . 5.34 1353 1308 A 27 LEU HA A 26 GLY HA3 1.0 . 5.34 1354 1309 A 27 LEU H A 27 LEU HB2 1.0 . 2.81 1355 1309 A 27 LEU H A 27 LEU HB3 1.0 . 2.81 1356 1310 A 28 THR H A 27 LEU HB2 1.0 . 3.91 1357 1310 A 28 THR H A 27 LEU HB3 1.0 . 3.91 1358 1311 A 28 THR HG2% A 27 LEU HB2 1.0 . 4.66 1359 1311 A 28 THR HG2% A 27 LEU HB3 1.0 . 4.66 1360 1312 A 28 THR H A 27 LEU HD2% 1.0 . 4.02 1361 1312 A 28 THR H A 27 LEU HD1% 1.0 . 4.02 1362 1313 A 28 THR HA A 27 LEU HD2% 1.0 . 5.44 1363 1313 A 28 THR HA A 27 LEU HD1% 1.0 . 5.44 1364 1314 A 28 THR HB A 27 LEU HD2% 1.0 . 5.44 1365 1314 A 28 THR HB A 27 LEU HD1% 1.0 . 5.44 1366 1315 A 28 THR HG2% A 27 LEU HD2% 1.0 . 3.74 1367 1315 A 28 THR HG2% A 27 LEU HD1% 1.0 . 3.74 1368 1316 A 28 THR HA A 29 SER HB2 1.0 . 4.40 1369 1316 A 28 THR HA A 29 SER HB3 1.0 . 4.40 1370 1317 A 28 THR HB A 29 SER HB2 1.0 . 4.99 1371 1317 A 28 THR HB A 29 SER HB3 1.0 . 4.99 1372 1318 A 29 SER H A 29 SER HB2 1.0 . 3.58 1373 1318 A 29 SER H A 29 SER HB3 1.0 . 3.58 1374 1319 A 30 SER H A 30 SER HB3 1.0 . 3.66 1375 1319 A 30 SER H A 30 SER HB2 1.0 . 3.66 1376 1320 A 32 GLU H A 32 GLU HB3 1.0 . 2.99 1377 1320 A 32 GLU H A 32 GLU HB2 1.0 . 2.99 1378 1321 A 32 GLU H A 32 GLU HG3 1.0 . 4.29 1379 1321 A 32 GLU H A 32 GLU HG2 1.0 . 4.29 1380 1322 A 32 GLU HA A 32 GLU HB3 1.0 . 2.63 1381 1322 A 32 GLU HA A 32 GLU HB2 1.0 . 2.63 1382 1323 A 33 SER H A 32 GLU HG3 1.0 . 4.31 1383 1323 A 33 SER H A 32 GLU HG2 1.0 . 4.31 1384 1324 A 32 GLU HG3 A 33 SER HB3 1.0 . 4.63 1385 1324 A 32 GLU HG2 A 33 SER HB3 1.0 . 4.63 1386 1324 A 33 SER HB2 A 32 GLU HG3 1.0 . 4.63 1387 1324 A 32 GLU HG2 A 33 SER HB2 1.0 . 4.63 1388 1325 A 33 SER H A 33 SER HB3 1.0 . 3.44 1389 1325 A 33 SER H A 33 SER HB2 1.0 . 3.44 1390 1326 A 33 SER HA A 33 SER HB3 1.0 . 2.42 1391 1326 A 33 SER HA A 33 SER HB2 1.0 . 2.42 1392 1327 A 34 ASP H A 33 SER HB3 1.0 . 3.78 1393 1327 A 34 ASP H A 33 SER HB2 1.0 . 3.78 1394 1328 A 34 ASP HA A 33 SER HB3 1.0 . 4.50 1395 1328 A 34 ASP HA A 33 SER HB2 1.0 . 4.50 1396 1329 A 34 ASP HB2 A 33 SER HB3 1.0 . 5.34 1397 1329 A 34 ASP HB2 A 33 SER HB2 1.0 . 5.34 1398 1330 A 35 LEU H A 33 SER HB3 1.0 . 5.34 1399 1330 A 35 LEU H A 33 SER HB2 1.0 . 5.34 1400 1331 A 33 SER HB3 A 36 ASP HB2 1.0 . 5.18 1401 1331 A 33 SER HB2 A 36 ASP HB2 1.0 . 5.18 1402 1331 A 36 ASP HB3 A 33 SER HB3 1.0 . 5.18 1403 1331 A 33 SER HB2 A 36 ASP HB3 1.0 . 5.18 1404 1332 A 34 ASP H A 35 LEU HB2 1.0 . 4.55 1405 1332 A 34 ASP H A 35 LEU HB3 1.0 . 4.55 1406 1333 A 34 ASP HB3 A 35 LEU HD1% 1.0 . 4.38 1407 1333 A 34 ASP HB3 A 35 LEU HD2% 1.0 . 4.38 1408 1334 A 35 LEU H A 35 LEU HB2 1.0 . 2.57 1409 1334 A 35 LEU H A 35 LEU HB3 1.0 . 2.57 1410 1335 A 35 LEU HA A 35 LEU HD1% 1.0 . 3.10 1411 1335 A 35 LEU HD2% A 35 LEU HA 1.0 . 3.10 1412 1336 A 35 LEU HA A 38 GLN HB2 1.0 . 4.38 1413 1336 A 35 LEU HA A 38 GLN HB3 1.0 . 4.38 1414 1337 A 35 LEU HA A 38 GLN HG3 1.0 . 5.26 1415 1337 A 35 LEU HA A 38 GLN HG2 1.0 . 5.26 1416 1338 A 36 ASP H A 35 LEU HB2 1.0 . 3.99 1417 1338 A 36 ASP H A 35 LEU HB3 1.0 . 3.99 1418 1339 A 35 LEU HG A 38 GLN HE21 1.0 . 5.34 1419 1339 A 35 LEU HG A 38 GLN HE22 1.0 . 5.34 1420 1340 A 36 ASP H A 35 LEU HD1% 1.0 . 4.74 1421 1340 A 36 ASP H A 35 LEU HD2% 1.0 . 4.74 1422 1341 A 38 GLN H A 35 LEU HD1% 1.0 . 5.27 1423 1341 A 38 GLN H A 35 LEU HD2% 1.0 . 5.27 1424 1342 A 35 LEU HD2% A 38 GLN HB2 1.0 . 5.28 1425 1342 A 35 LEU HD1% A 38 GLN HB2 1.0 . 5.28 1426 1342 A 38 GLN HB3 A 35 LEU HD1% 1.0 . 5.28 1427 1342 A 35 LEU HD2% A 38 GLN HB3 1.0 . 5.28 1428 1343 A 35 LEU HD1% A 38 GLN HG3 1.0 . 3.79 1429 1343 A 35 LEU HD2% A 38 GLN HG3 1.0 . 3.79 1430 1343 A 38 GLN HG2 A 35 LEU HD1% 1.0 . 3.79 1431 1343 A 35 LEU HD2% A 38 GLN HG2 1.0 . 3.79 1432 1344 A 35 LEU HD2% A 38 GLN HE21 1.0 . 2.60 1433 1344 A 35 LEU HD1% A 38 GLN HE21 1.0 . 2.60 1434 1344 A 38 GLN HE22 A 35 LEU HD1% 1.0 . 2.60 1435 1344 A 35 LEU HD2% A 38 GLN HE22 1.0 . 2.60 1436 1345 A 36 ASP H A 36 ASP HB2 1.0 . 2.39 1437 1345 A 36 ASP H A 36 ASP HB3 1.0 . 2.39 1438 1346 A 36 ASP HA A 39 GLN HB2 1.0 . 5.34 1439 1346 A 36 ASP HA A 39 GLN HB3 1.0 . 5.34 1440 1347 A 39 GLN H A 36 ASP HB2 1.0 . 5.34 1441 1347 A 39 GLN H A 36 ASP HB3 1.0 . 5.34 1442 1348 A 36 ASP HB3 A 39 GLN HG3 1.0 . 4.76 1443 1348 A 36 ASP HB2 A 39 GLN HG3 1.0 . 4.76 1444 1348 A 39 GLN HG2 A 36 ASP HB2 1.0 . 4.76 1445 1348 A 36 ASP HB3 A 39 GLN HG2 1.0 . 4.76 1446 1349 A 37 MET H A 37 MET HB2 1.0 . 2.62 1447 1349 A 37 MET H A 37 MET HB3 1.0 . 2.62 1448 1350 A 37 MET H A 37 MET HG2 1.0 . 3.84 1449 1350 A 37 MET H A 37 MET HG3 1.0 . 3.84 1450 1351 A 37 MET HA A 37 MET HG2 1.0 . 2.98 1451 1351 A 37 MET HA A 37 MET HG3 1.0 . 2.98 1452 1352 A 37 MET HA A 38 GLN HB2 1.0 . 5.34 1453 1352 A 37 MET HA A 38 GLN HB3 1.0 . 5.34 1454 1353 A 38 GLN H A 38 GLN HB2 1.0 . 2.51 1455 1353 A 38 GLN H A 38 GLN HB3 1.0 . 2.51 1456 1354 A 38 GLN H A 38 GLN HG3 1.0 . 4.43 1457 1354 A 38 GLN H A 38 GLN HG2 1.0 . 4.43 1458 1355 A 38 GLN H A 38 GLN HE21 1.0 . 5.34 1459 1355 A 38 GLN H A 38 GLN HE22 1.0 . 5.34 1460 1356 A 38 GLN H A 41 MET HG3 1.0 . 5.15 1461 1356 A 38 GLN H A 41 MET HG2 1.0 . 5.15 1462 1357 A 38 GLN HA A 38 GLN HG3 1.0 . 3.63 1463 1357 A 38 GLN HG2 A 38 GLN HA 1.0 . 3.63 1464 1358 A 38 GLN HA A 41 MET HG3 1.0 . 3.65 1465 1358 A 41 MET HG2 A 38 GLN HA 1.0 . 3.65 1466 1359 A 38 GLN HB2 A 41 MET HG3 1.0 . 5.18 1467 1359 A 41 MET HG2 A 38 GLN HB2 1.0 . 5.18 1468 1359 A 38 GLN HB3 A 41 MET HG2 1.0 . 5.18 1469 1359 A 38 GLN HB3 A 41 MET HG3 1.0 . 5.18 1470 1360 A 38 GLN HE21 A 38 GLN HG3 1.0 . 2.95 1471 1360 A 38 GLN HE22 A 38 GLN HG3 1.0 . 2.95 1472 1360 A 38 GLN HG2 A 38 GLN HE21 1.0 . 2.95 1473 1360 A 38 GLN HG2 A 38 GLN HE22 1.0 . 2.95 1474 1361 A 38 GLN HG2 A 41 MET HG3 1.0 . 4.45 1475 1361 A 38 GLN HG3 A 41 MET HG3 1.0 . 4.45 1476 1361 A 41 MET HG2 A 38 GLN HG3 1.0 . 4.45 1477 1361 A 38 GLN HG2 A 41 MET HG2 1.0 . 4.45 1478 1362 A 39 GLN H A 39 GLN HB2 1.0 . 2.88 1479 1362 A 39 GLN H A 39 GLN HB3 1.0 . 2.88 1480 1363 A 39 GLN H A 39 GLN HG3 1.0 . 3.14 1481 1363 A 39 GLN H A 39 GLN HG2 1.0 . 3.14 1482 1364 A 39 GLN H A 42 LEU HD2% 1.0 . 5.44 1483 1364 A 39 GLN H A 42 LEU HD1% 1.0 . 5.44 1484 1365 A 39 GLN HA A 42 LEU HD2% 1.0 . 4.17 1485 1365 A 39 GLN HA A 42 LEU HD1% 1.0 . 4.17 1486 1366 A 40 ALA H A 39 GLN HB2 1.0 . 3.49 1487 1366 A 40 ALA H A 39 GLN HB3 1.0 . 3.49 1488 1367 A 43 THR HG2% A 39 GLN HB2 1.0 . 4.88 1489 1367 A 43 THR HG2% A 39 GLN HB3 1.0 . 4.88 1490 1368 A 40 ALA H A 39 GLN HG3 1.0 . 4.65 1491 1368 A 40 ALA H A 39 GLN HG2 1.0 . 4.65 1492 1369 A 40 ALA H A 41 MET HG3 1.0 . 4.20 1493 1369 A 40 ALA H A 41 MET HG2 1.0 . 4.20 1494 1370 A 40 ALA HB% A 41 MET HG3 1.0 . 4.56 1495 1370 A 40 ALA HB% A 41 MET HG2 1.0 . 4.56 1496 1371 A 41 MET H A 41 MET HG3 1.0 . 3.68 1497 1371 A 41 MET H A 41 MET HG2 1.0 . 3.68 1498 1372 A 41 MET H A 42 LEU HD2% 1.0 . 4.15 1499 1372 A 41 MET H A 42 LEU HD1% 1.0 . 4.15 1500 1373 A 41 MET HA A 41 MET HG3 1.0 . 3.69 1501 1373 A 41 MET HA A 41 MET HG2 1.0 . 3.69 1502 1374 A 41 MET HA A 42 LEU HD2% 1.0 . 5.44 1503 1374 A 41 MET HA A 42 LEU HD1% 1.0 . 5.44 1504 1375 A 41 MET HB2 A 42 LEU HD2% 1.0 . 2.76 1505 1375 A 41 MET HB2 A 42 LEU HD1% 1.0 . 2.76 1506 1376 A 42 LEU H A 41 MET HG3 1.0 . 4.58 1507 1376 A 42 LEU H A 41 MET HG2 1.0 . 4.58 1508 1377 A 41 MET HE% A 42 LEU HD2% 1.0 . 5.41 1509 1377 A 42 LEU HD1% A 41 MET HE% 1.0 . 5.41 1510 1378 A 42 LEU H A 42 LEU HD2% 1.0 . 3.28 1511 1378 A 42 LEU H A 42 LEU HD1% 1.0 . 3.28 1512 1379 A 42 LEU HA A 42 LEU HD2% 1.0 . 3.52 1513 1379 A 42 LEU HA A 42 LEU HD1% 1.0 . 3.52 1514 1380 A 42 LEU HA A 44 ASN HB3 1.0 . 5.34 1515 1380 A 42 LEU HA A 44 ASN HB2 1.0 . 5.34 1516 1381 A 42 LEU HB3 A 42 LEU HD2% 1.0 . 2.84 1517 1381 A 42 LEU HB3 A 42 LEU HD1% 1.0 . 2.84 1518 1382 A 43 THR H A 42 LEU HD2% 1.0 . 4.42 1519 1382 A 43 THR H A 42 LEU HD1% 1.0 . 4.42 1520 1383 A 43 THR H A 44 ASN HB3 1.0 . 4.49 1521 1383 A 43 THR H A 44 ASN HB2 1.0 . 4.49 1522 1384 A 43 THR HA A 44 ASN HB3 1.0 . 4.84 1523 1384 A 43 THR HA A 44 ASN HB2 1.0 . 4.84 1524 1385 A 44 ASN H A 44 ASN HB3 1.0 . 3.36 1525 1385 A 44 ASN H A 44 ASN HB2 1.0 . 3.36 1526 1386 A 44 ASN HA A 45 LYS HB3 1.0 . 5.34 1527 1386 A 44 ASN HA A 45 LYS HB2 1.0 . 5.34 1528 1387 A 44 ASN HA A 45 LYS HE3 1.0 . 5.34 1529 1387 A 44 ASN HA A 45 LYS HE2 1.0 . 5.34 1530 1388 A 44 ASN HB2 A 44 ASN HD22 1.0 . 3.07 1531 1388 A 44 ASN HB3 A 44 ASN HD22 1.0 . 3.07 1532 1388 A 44 ASN HD21 A 44 ASN HB3 1.0 . 3.07 1533 1388 A 44 ASN HB2 A 44 ASN HD21 1.0 . 3.07 1534 1389 A 44 ASN HD21 A 45 LYS HB3 1.0 . 5.18 1535 1389 A 44 ASN HD22 A 45 LYS HB3 1.0 . 5.18 1536 1389 A 45 LYS HB2 A 44 ASN HD22 1.0 . 5.18 1537 1389 A 45 LYS HB2 A 44 ASN HD21 1.0 . 5.18 1538 1390 A 45 LYS H A 45 LYS HB3 1.0 . 3.35 1539 1390 A 45 LYS H A 45 LYS HB2 1.0 . 3.35 1540 1391 A 45 LYS H A 45 LYS HG3 1.0 . 3.71 1541 1391 A 45 LYS H A 45 LYS HG2 1.0 . 3.71 1542 1392 A 45 LYS H A 45 LYS HD3 1.0 . 3.59 1543 1392 A 45 LYS H A 45 LYS HD2 1.0 . 3.59 1544 1393 A 45 LYS H A 45 LYS HE3 1.0 . 4.61 1545 1393 A 45 LYS H A 45 LYS HE2 1.0 . 4.61 1546 1394 A 45 LYS HA A 45 LYS HG3 1.0 . 3.54 1547 1394 A 45 LYS HA A 45 LYS HG2 1.0 . 3.54 1548 1395 A 46 ASP H A 45 LYS HB3 1.0 . 3.29 1549 1395 A 46 ASP H A 45 LYS HB2 1.0 . 3.29 1550 1396 A 49 VAL HG2% A 45 LYS HB3 1.0 . 5.34 1551 1396 A 49 VAL HG2% A 45 LYS HB2 1.0 . 5.34 1552 1397 A 67 MET HE% A 45 LYS HB3 1.0 . 4.41 1553 1397 A 67 MET HE% A 45 LYS HB2 1.0 . 4.41 1554 1398 A 45 LYS HE3 A 45 LYS HG3 1.0 . 3.18 1555 1398 A 45 LYS HE2 A 45 LYS HG3 1.0 . 3.18 1556 1398 A 45 LYS HG2 A 45 LYS HE3 1.0 . 3.18 1557 1398 A 45 LYS HE2 A 45 LYS HG2 1.0 . 3.18 1558 1399 A 46 ASP H A 45 LYS HG3 1.0 . 3.97 1559 1399 A 46 ASP H A 45 LYS HG2 1.0 . 3.97 1560 1400 A 49 VAL HG1% A 45 LYS HG3 1.0 . 4.26 1561 1400 A 49 VAL HG1% A 45 LYS HG2 1.0 . 4.26 1562 1401 A 49 VAL HG2% A 45 LYS HG3 1.0 . 5.34 1563 1401 A 49 VAL HG2% A 45 LYS HG2 1.0 . 5.34 1564 1402 A 46 ASP H A 46 ASP HB3 1.0 . 3.07 1565 1402 A 46 ASP H A 46 ASP HB2 1.0 . 3.07 1566 1403 A 46 ASP H A 48 LYS HG2 1.0 . 5.12 1567 1403 A 46 ASP H A 48 LYS HG3 1.0 . 5.12 1568 1404 A 46 ASP H A 48 LYS HD3 1.0 . 5.16 1569 1404 A 46 ASP H A 48 LYS HD2 1.0 . 5.16 1570 1405 A 47 GLU H A 46 ASP HB3 1.0 . 4.00 1571 1405 A 47 GLU H A 46 ASP HB2 1.0 . 4.00 1572 1406 A 48 LYS H A 46 ASP HB3 1.0 . 4.02 1573 1406 A 48 LYS H A 46 ASP HB2 1.0 . 4.02 1574 1407 A 49 VAL H A 46 ASP HB3 1.0 . 3.00 1575 1407 A 49 VAL H A 46 ASP HB2 1.0 . 3.00 1576 1408 A 49 VAL HB A 46 ASP HB3 1.0 . 3.53 1577 1408 A 49 VAL HB A 46 ASP HB2 1.0 . 3.53 1578 1409 A 49 VAL HG1% A 46 ASP HB3 1.0 . 4.21 1579 1409 A 49 VAL HG1% A 46 ASP HB2 1.0 . 4.21 1580 1410 A 49 VAL HG2% A 46 ASP HB3 1.0 . 3.58 1581 1410 A 49 VAL HG2% A 46 ASP HB2 1.0 . 3.58 1582 1411 A 47 GLU H A 47 GLU HB3 1.0 . 2.87 1583 1411 A 47 GLU H A 47 GLU HB2 1.0 . 2.87 1584 1412 A 47 GLU H A 48 LYS HD3 1.0 . 4.92 1585 1412 A 47 GLU H A 48 LYS HD2 1.0 . 4.92 1586 1413 A 47 GLU HA A 47 GLU HG3 1.0 . 3.47 1587 1413 A 47 GLU HA A 47 GLU HG2 1.0 . 3.47 1588 1414 A 50 LEU HD1% A 47 GLU HB3 1.0 . 4.77 1589 1414 A 50 LEU HD1% A 47 GLU HB2 1.0 . 4.77 1590 1415 A 48 LYS H A 47 GLU HG3 1.0 . 3.87 1591 1415 A 48 LYS H A 47 GLU HG2 1.0 . 3.87 1592 1416 A 48 LYS H A 48 LYS HB3 1.0 . 3.43 1593 1416 A 48 LYS H A 48 LYS HB2 1.0 . 3.43 1594 1417 A 48 LYS H A 48 LYS HG2 1.0 . 2.86 1595 1417 A 48 LYS H A 48 LYS HG3 1.0 . 2.86 1596 1418 A 48 LYS H A 48 LYS HD3 1.0 . 3.17 1597 1418 A 48 LYS H A 48 LYS HD2 1.0 . 3.17 1598 1419 A 48 LYS H A 48 LYS HE3 1.0 . 5.17 1599 1419 A 48 LYS H A 48 LYS HE2 1.0 . 5.17 1600 1420 A 48 LYS HA A 51 LYS HB3 1.0 . 3.91 1601 1420 A 48 LYS HA A 51 LYS HB2 1.0 . 3.91 1602 1421 A 48 LYS HA A 51 LYS HG3 1.0 . 4.30 1603 1421 A 48 LYS HA A 51 LYS HG2 1.0 . 4.30 1604 1422 A 48 LYS HB2 A 48 LYS HD3 1.0 . 3.31 1605 1422 A 48 LYS HB3 A 48 LYS HD3 1.0 . 3.31 1606 1422 A 48 LYS HD2 A 48 LYS HB3 1.0 . 3.31 1607 1422 A 48 LYS HD2 A 48 LYS HB2 1.0 . 3.31 1608 1423 A 48 LYS HB3 A 48 LYS HE3 1.0 . 4.24 1609 1423 A 48 LYS HB2 A 48 LYS HE3 1.0 . 4.24 1610 1423 A 48 LYS HE2 A 48 LYS HB3 1.0 . 4.24 1611 1423 A 48 LYS HB2 A 48 LYS HE2 1.0 . 4.24 1612 1424 A 49 VAL H A 48 LYS HB3 1.0 . 3.76 1613 1424 A 49 VAL H A 48 LYS HB2 1.0 . 3.76 1614 1425 A 81 TRP HE1 A 48 LYS HB3 1.0 . 4.38 1615 1425 A 81 TRP HE1 A 48 LYS HB2 1.0 . 4.38 1616 1426 A 48 LYS HE3 A 48 LYS HG2 1.0 . 3.16 1617 1426 A 48 LYS HE2 A 48 LYS HG2 1.0 . 3.16 1618 1426 A 48 LYS HG3 A 48 LYS HE3 1.0 . 3.16 1619 1426 A 48 LYS HG3 A 48 LYS HE2 1.0 . 3.16 1620 1427 A 49 VAL H A 48 LYS HG2 1.0 . 3.66 1621 1427 A 49 VAL H A 48 LYS HG3 1.0 . 3.66 1622 1428 A 50 LEU H A 48 LYS HG2 1.0 . 5.02 1623 1428 A 50 LEU H A 48 LYS HG3 1.0 . 5.02 1624 1429 A 49 VAL H A 48 LYS HD3 1.0 . 3.29 1625 1429 A 49 VAL H A 48 LYS HD2 1.0 . 3.29 1626 1430 A 50 LEU H A 48 LYS HD3 1.0 . 5.34 1627 1430 A 50 LEU H A 48 LYS HD2 1.0 . 5.34 1628 1431 A 81 TRP HZ2 A 48 LYS HD3 1.0 . 4.75 1629 1431 A 81 TRP HZ2 A 48 LYS HD2 1.0 . 4.75 1630 1432 A 48 LYS HE2 A 74 LEU HD2% 1.0 . 5.28 1631 1432 A 48 LYS HE3 A 74 LEU HD2% 1.0 . 5.28 1632 1432 A 74 LEU HD1% A 48 LYS HE3 1.0 . 5.28 1633 1432 A 48 LYS HE2 A 74 LEU HD1% 1.0 . 5.28 1634 1433 A 81 TRP HE1 A 48 LYS HE3 1.0 . 3.63 1635 1433 A 81 TRP HE1 A 48 LYS HE2 1.0 . 3.63 1636 1434 A 49 VAL HG1% A 70 LEU HD2% 1.0 . 2.76 1637 1434 A 49 VAL HG1% A 70 LEU HD1% 1.0 . 2.76 1638 1435 A 49 VAL HG2% A 70 LEU HD2% 1.0 . 3.21 1639 1435 A 49 VAL HG2% A 70 LEU HD1% 1.0 . 3.21 1640 1436 A 49 VAL HG2% A 74 LEU HD2% 1.0 . 3.99 1641 1436 A 49 VAL HG2% A 74 LEU HD1% 1.0 . 3.99 1642 1437 A 50 LEU H A 51 LYS HB3 1.0 . 5.09 1643 1437 A 50 LEU H A 51 LYS HB2 1.0 . 5.09 1644 1438 A 50 LEU H A 70 LEU HD2% 1.0 . 5.44 1645 1438 A 50 LEU H A 70 LEU HD1% 1.0 . 5.44 1646 1439 A 50 LEU HB3 A 53 LEU HD2% 1.0 . 5.44 1647 1439 A 50 LEU HB3 A 53 LEU HD1% 1.0 . 5.44 1648 1440 A 51 LYS H A 51 LYS HB3 1.0 . 2.61 1649 1440 A 51 LYS H A 51 LYS HB2 1.0 . 2.61 1650 1441 A 51 LYS H A 51 LYS HG3 1.0 . 2.84 1651 1441 A 51 LYS H A 51 LYS HG2 1.0 . 2.84 1652 1442 A 51 LYS H A 51 LYS HE2 1.0 . 5.34 1653 1442 A 51 LYS H A 51 LYS HE3 1.0 . 5.34 1654 1443 A 51 LYS HA A 51 LYS HG3 1.0 . 3.16 1655 1443 A 51 LYS HA A 51 LYS HG2 1.0 . 3.16 1656 1444 A 51 LYS HA A 51 LYS HE2 1.0 . 4.46 1657 1444 A 51 LYS HA A 51 LYS HE3 1.0 . 4.46 1658 1445 A 51 LYS HA A 54 GLU HG3 1.0 . 3.16 1659 1445 A 51 LYS HA A 54 GLU HG2 1.0 . 3.16 1660 1446 A 51 LYS HB3 A 51 LYS HD2 1.0 . 3.05 1661 1446 A 51 LYS HB2 A 51 LYS HD2 1.0 . 3.05 1662 1446 A 51 LYS HD3 A 51 LYS HB3 1.0 . 3.05 1663 1446 A 51 LYS HB2 A 51 LYS HD3 1.0 . 3.05 1664 1447 A 52 ALA H A 51 LYS HB3 1.0 . 3.19 1665 1447 A 52 ALA H A 51 LYS HB2 1.0 . 3.19 1666 1448 A 52 ALA HA A 51 LYS HB3 1.0 . 4.52 1667 1448 A 52 ALA HA A 51 LYS HB2 1.0 . 4.52 1668 1449 A 52 ALA H A 51 LYS HG3 1.0 . 4.40 1669 1449 A 52 ALA H A 51 LYS HG2 1.0 . 4.40 1670 1450 A 51 LYS HD3 A 54 GLU HG3 1.0 . 4.90 1671 1450 A 51 LYS HD2 A 54 GLU HG3 1.0 . 4.90 1672 1450 A 54 GLU HG2 A 51 LYS HD2 1.0 . 4.90 1673 1450 A 54 GLU HG2 A 51 LYS HD3 1.0 . 4.90 1674 1451 A 51 LYS HE2 A 54 GLU HG3 1.0 . 5.18 1675 1451 A 51 LYS HE3 A 54 GLU HG3 1.0 . 5.18 1676 1451 A 54 GLU HG2 A 51 LYS HE2 1.0 . 5.18 1677 1451 A 51 LYS HE3 A 54 GLU HG2 1.0 . 5.18 1678 1452 A 52 ALA H A 70 LEU HD2% 1.0 . 4.90 1679 1452 A 52 ALA H A 70 LEU HD1% 1.0 . 4.90 1680 1453 A 52 ALA HB% A 53 LEU HD2% 1.0 . 4.77 1681 1453 A 52 ALA HB% A 53 LEU HD1% 1.0 . 4.77 1682 1454 A 52 ALA HB% A 54 GLU HG3 1.0 . 5.34 1683 1454 A 52 ALA HB% A 54 GLU HG2 1.0 . 5.34 1684 1455 A 53 LEU H A 53 LEU HD2% 1.0 . 3.57 1685 1455 A 53 LEU H A 53 LEU HD1% 1.0 . 3.57 1686 1456 A 53 LEU H A 54 GLU HB3 1.0 . 5.15 1687 1456 A 53 LEU H A 54 GLU HB2 1.0 . 5.15 1688 1457 A 53 LEU H A 54 GLU HG3 1.0 . 4.74 1689 1457 A 53 LEU H A 54 GLU HG2 1.0 . 4.74 1690 1458 A 53 LEU HA A 53 LEU HD2% 1.0 . 3.21 1691 1458 A 53 LEU HA A 53 LEU HD1% 1.0 . 3.21 1692 1459 A 56 THR HG2% A 53 LEU HD2% 1.0 . 3.65 1693 1459 A 56 THR HG2% A 53 LEU HD1% 1.0 . 3.65 1694 1460 A 57 ARG H A 53 LEU HD2% 1.0 . 4.95 1695 1460 A 57 ARG H A 53 LEU HD1% 1.0 . 4.95 1696 1461 A 63 ASP H A 53 LEU HD2% 1.0 . 4.37 1697 1461 A 63 ASP H A 53 LEU HD1% 1.0 . 4.37 1698 1462 A 63 ASP HA A 53 LEU HD2% 1.0 . 3.72 1699 1462 A 63 ASP HA A 53 LEU HD1% 1.0 . 3.72 1700 1463 A 53 LEU HD2% A 63 ASP HB2 1.0 . 3.90 1701 1463 A 53 LEU HD1% A 63 ASP HB2 1.0 . 3.90 1702 1463 A 63 ASP HB3 A 53 LEU HD2% 1.0 . 3.90 1703 1463 A 53 LEU HD1% A 63 ASP HB3 1.0 . 3.90 1704 1464 A 66 THR H A 53 LEU HD2% 1.0 . 4.38 1705 1464 A 66 THR H A 53 LEU HD1% 1.0 . 4.38 1706 1465 A 66 THR HA A 53 LEU HD2% 1.0 . 4.78 1707 1465 A 66 THR HA A 53 LEU HD1% 1.0 . 4.78 1708 1466 A 66 THR HB A 53 LEU HD2% 1.0 . 3.54 1709 1466 A 66 THR HB A 53 LEU HD1% 1.0 . 3.54 1710 1467 A 66 THR HG2% A 53 LEU HD2% 1.0 . 3.14 1711 1467 A 66 THR HG2% A 53 LEU HD1% 1.0 . 3.14 1712 1468 A 67 MET H A 53 LEU HD2% 1.0 . 4.10 1713 1468 A 67 MET H A 53 LEU HD1% 1.0 . 4.10 1714 1469 A 67 MET HA A 53 LEU HD2% 1.0 . 4.46 1715 1469 A 67 MET HA A 53 LEU HD1% 1.0 . 4.46 1716 1470 A 67 MET HG2 A 53 LEU HD2% 1.0 . 3.95 1717 1470 A 67 MET HG2 A 53 LEU HD1% 1.0 . 3.95 1718 1471 A 67 MET HE% A 53 LEU HD2% 1.0 . 4.00 1719 1471 A 67 MET HE% A 53 LEU HD1% 1.0 . 4.00 1720 1472 A 54 GLU H A 54 GLU HB3 1.0 . 2.66 1721 1472 A 54 GLU H A 54 GLU HB2 1.0 . 2.66 1722 1473 A 54 GLU H A 54 GLU HG3 1.0 . 3.26 1723 1473 A 54 GLU H A 54 GLU HG2 1.0 . 3.26 1724 1474 A 54 GLU H A 57 ARG HD3 1.0 . 5.34 1725 1474 A 54 GLU H A 57 ARG HD2 1.0 . 5.34 1726 1475 A 54 GLU HA A 57 ARG HD3 1.0 . 3.69 1727 1475 A 54 GLU HA A 57 ARG HD2 1.0 . 3.69 1728 1476 A 55 ARG H A 54 GLU HB3 1.0 . 3.25 1729 1476 A 55 ARG H A 54 GLU HB2 1.0 . 3.25 1730 1477 A 55 ARG H A 54 GLU HG3 1.0 . 4.30 1731 1477 A 55 ARG H A 54 GLU HG2 1.0 . 4.30 1732 1478 A 55 ARG HB3 A 89 TYR HB2 1.0 . 4.66 1733 1478 A 55 ARG HB3 A 89 TYR HB3 1.0 . 4.66 1734 1479 A 55 ARG HG2 A 89 TYR HB2 1.0 . 3.83 1735 1479 A 55 ARG HG2 A 89 TYR HB3 1.0 . 3.83 1736 1480 A 55 ARG HD3 A 59 LEU HD2% 1.0 . 4.34 1737 1480 A 55 ARG HD3 A 59 LEU HD1% 1.0 . 4.34 1738 1481 A 56 THR HA A 59 LEU HD2% 1.0 . 4.10 1739 1481 A 56 THR HA A 59 LEU HD1% 1.0 . 4.10 1740 1482 A 56 THR HA A 92 LEU HB3 1.0 . 5.34 1741 1482 A 56 THR HA A 92 LEU HB2 1.0 . 5.34 1742 1483 A 56 THR HG2% A 92 LEU HB3 1.0 . 4.13 1743 1483 A 56 THR HG2% A 92 LEU HB2 1.0 . 4.13 1744 1484 A 57 ARG H A 57 ARG HB2 1.0 . 3.13 1745 1484 A 57 ARG H A 57 ARG HB3 1.0 . 3.13 1746 1485 A 57 ARG H A 57 ARG HD3 1.0 . 4.57 1747 1485 A 57 ARG H A 57 ARG HD2 1.0 . 4.57 1748 1486 A 57 ARG H A 59 LEU HD2% 1.0 . 4.85 1749 1486 A 57 ARG H A 59 LEU HD1% 1.0 . 4.85 1750 1487 A 57 ARG HA A 57 ARG HD3 1.0 . 4.72 1751 1487 A 57 ARG HA A 57 ARG HD2 1.0 . 4.72 1752 1488 A 57 ARG HB2 A 57 ARG HD3 1.0 . 2.92 1753 1488 A 57 ARG HB3 A 57 ARG HD3 1.0 . 2.92 1754 1488 A 57 ARG HD2 A 57 ARG HB2 1.0 . 2.92 1755 1488 A 57 ARG HD2 A 57 ARG HB3 1.0 . 2.92 1756 1489 A 57 ARG HE A 57 ARG HB2 1.0 . 3.07 1757 1489 A 57 ARG HE A 57 ARG HB3 1.0 . 3.07 1758 1490 A 58 GLN H A 57 ARG HB2 1.0 . 4.12 1759 1490 A 58 GLN H A 57 ARG HB3 1.0 . 4.12 1760 1491 A 61 ILE H A 57 ARG HB2 1.0 . 5.34 1761 1491 A 61 ILE H A 57 ARG HB3 1.0 . 5.34 1762 1492 A 58 GLN H A 57 ARG HD3 1.0 . 4.89 1763 1492 A 58 GLN H A 57 ARG HD2 1.0 . 4.89 1764 1493 A 58 GLN HB2 A 59 LEU HD2% 1.0 . 4.76 1765 1493 A 58 GLN HB2 A 59 LEU HD1% 1.0 . 4.76 1766 1494 A 58 GLN HB3 A 59 LEU HD2% 1.0 . 4.05 1767 1494 A 58 GLN HB3 A 59 LEU HD1% 1.0 . 4.05 1768 1495 A 59 LEU H A 59 LEU HB3 1.0 . 3.15 1769 1495 A 59 LEU H A 59 LEU HB2 1.0 . 3.15 1770 1496 A 59 LEU H A 59 LEU HD2% 1.0 . 3.15 1771 1496 A 59 LEU H A 59 LEU HD1% 1.0 . 3.15 1772 1497 A 59 LEU HA A 59 LEU HD2% 1.0 . 2.81 1773 1497 A 59 LEU HA A 59 LEU HD1% 1.0 . 2.81 1774 1498 A 59 LEU HB3 A 59 LEU HD2% 1.0 . 2.81 1775 1498 A 59 LEU HB2 A 59 LEU HD2% 1.0 . 2.81 1776 1498 A 59 LEU HD1% A 59 LEU HB3 1.0 . 2.81 1777 1498 A 59 LEU HD1% A 59 LEU HB2 1.0 . 2.81 1778 1499 A 61 ILE H A 59 LEU HB3 1.0 . 5.34 1779 1499 A 61 ILE H A 59 LEU HB2 1.0 . 5.34 1780 1500 A 61 ILE HG12 A 59 LEU HB3 1.0 . 3.49 1781 1500 A 61 ILE HG12 A 59 LEU HB2 1.0 . 3.49 1782 1501 A 60 ASP H A 60 ASP HB3 1.0 . 3.59 1783 1501 A 60 ASP H A 60 ASP HB2 1.0 . 3.59 1784 1502 A 61 ILE HD1% A 96 ILE HG12 1.0 . 3.72 1785 1502 A 61 ILE HD1% A 96 ILE HG13 1.0 . 3.72 1786 1503 A 62 PRO HA A 64 GLU HG3 1.0 . 5.34 1787 1503 A 62 PRO HA A 64 GLU HG2 1.0 . 5.34 1788 1504 A 63 ASP H A 63 ASP HB2 1.0 . 3.00 1789 1504 A 63 ASP H A 63 ASP HB3 1.0 . 3.00 1790 1505 A 63 ASP H A 64 GLU HG3 1.0 . 3.71 1791 1505 A 63 ASP H A 64 GLU HG2 1.0 . 3.71 1792 1506 A 64 GLU H A 63 ASP HB2 1.0 . 3.33 1793 1506 A 64 GLU H A 63 ASP HB3 1.0 . 3.33 1794 1507 A 64 GLU HA A 63 ASP HB2 1.0 . 4.89 1795 1507 A 64 GLU HA A 63 ASP HB3 1.0 . 4.89 1796 1508 A 65 LYS H A 63 ASP HB2 1.0 . 5.34 1797 1508 A 65 LYS H A 63 ASP HB3 1.0 . 5.34 1798 1509 A 66 THR HB A 63 ASP HB2 1.0 . 4.20 1799 1509 A 66 THR HB A 63 ASP HB3 1.0 . 4.20 1800 1510 A 66 THR HG2% A 63 ASP HB2 1.0 . 5.34 1801 1510 A 66 THR HG2% A 63 ASP HB3 1.0 . 5.34 1802 1511 A 64 GLU H A 64 GLU HG3 1.0 . 3.12 1803 1511 A 64 GLU H A 64 GLU HG2 1.0 . 3.12 1804 1512 A 64 GLU HA A 64 GLU HG3 1.0 . 3.39 1805 1512 A 64 GLU HA A 64 GLU HG2 1.0 . 3.39 1806 1513 A 65 LYS H A 64 GLU HG3 1.0 . 4.14 1807 1513 A 65 LYS H A 64 GLU HG2 1.0 . 4.14 1808 1514 A 65 LYS H A 65 LYS HE3 1.0 . 5.14 1809 1514 A 65 LYS H A 65 LYS HE2 1.0 . 5.14 1810 1515 A 65 LYS HA A 65 LYS HE3 1.0 . 4.37 1811 1515 A 65 LYS HA A 65 LYS HE2 1.0 . 4.37 1812 1516 A 65 LYS HB2 A 65 LYS HE3 1.0 . 3.62 1813 1516 A 65 LYS HB2 A 65 LYS HE2 1.0 . 3.62 1814 1517 A 65 LYS HB2 A 99 VAL HG1% 1.0 . 3.45 1815 1517 A 65 LYS HB2 A 99 VAL HG2% 1.0 . 3.45 1816 1518 A 65 LYS HB3 A 65 LYS HE3 1.0 . 4.35 1817 1518 A 65 LYS HB3 A 65 LYS HE2 1.0 . 4.35 1818 1519 A 65 LYS HB3 A 99 VAL HG1% 1.0 . 5.44 1819 1519 A 65 LYS HB3 A 99 VAL HG2% 1.0 . 5.44 1820 1520 A 65 LYS HG2 A 65 LYS HE3 1.0 . 3.54 1821 1520 A 65 LYS HG2 A 65 LYS HE2 1.0 . 3.54 1822 1521 A 65 LYS HG3 A 65 LYS HE3 1.0 . 3.25 1823 1521 A 65 LYS HG3 A 65 LYS HE2 1.0 . 3.25 1824 1522 A 65 LYS HG3 A 99 VAL HG1% 1.0 . 5.44 1825 1522 A 65 LYS HG3 A 99 VAL HG2% 1.0 . 5.44 1826 1523 A 96 ILE HB A 65 LYS HE3 1.0 . 5.34 1827 1523 A 96 ILE HB A 65 LYS HE2 1.0 . 5.34 1828 1524 A 96 ILE HG2% A 65 LYS HE3 1.0 . 3.83 1829 1524 A 96 ILE HG2% A 65 LYS HE2 1.0 . 3.83 1830 1525 A 96 ILE HD1% A 65 LYS HE3 1.0 . 3.41 1831 1525 A 96 ILE HD1% A 65 LYS HE2 1.0 . 3.41 1832 1526 A 65 LYS HE3 A 99 VAL HG1% 1.0 . 3.69 1833 1526 A 65 LYS HE2 A 99 VAL HG1% 1.0 . 3.69 1834 1526 A 99 VAL HG2% A 65 LYS HE3 1.0 . 3.69 1835 1526 A 65 LYS HE2 A 99 VAL HG2% 1.0 . 3.69 1836 1527 A 100 GLU HB3 A 65 LYS HE3 1.0 . 4.20 1837 1527 A 100 GLU HB3 A 65 LYS HE2 1.0 . 4.20 1838 1528 A 65 LYS HE2 A 100 GLU HG3 1.0 . 4.73 1839 1528 A 100 GLU HG2 A 65 LYS HE3 1.0 . 4.73 1840 1528 A 65 LYS HE2 A 100 GLU HG2 1.0 . 4.73 1841 1528 A 65 LYS HE3 A 100 GLU HG3 1.0 . 4.73 1842 1529 A 66 THR HB A 70 LEU HD2% 1.0 . 4.86 1843 1529 A 66 THR HB A 70 LEU HD1% 1.0 . 4.86 1844 1530 A 66 THR HG2% A 70 LEU HD2% 1.0 . 3.01 1845 1530 A 66 THR HG2% A 70 LEU HD1% 1.0 . 3.01 1846 1531 A 67 MET H A 70 LEU HD2% 1.0 . 4.45 1847 1531 A 67 MET H A 70 LEU HD1% 1.0 . 4.45 1848 1532 A 67 MET HG2 A 70 LEU HD2% 1.0 . 3.93 1849 1532 A 67 MET HG2 A 70 LEU HD1% 1.0 . 3.93 1850 1533 A 67 MET HE% A 70 LEU HD2% 1.0 . 3.32 1851 1533 A 67 MET HE% A 70 LEU HD1% 1.0 . 3.32 1852 1534 A 68 PRO HA A 71 MET HB3 1.0 . 4.85 1853 1534 A 68 PRO HA A 71 MET HB2 1.0 . 4.85 1854 1535 A 68 PRO HA A 71 MET HG3 1.0 . 4.15 1855 1535 A 68 PRO HA A 71 MET HG2 1.0 . 4.15 1856 1536 A 69 VAL H A 70 LEU HD2% 1.0 . 4.35 1857 1536 A 69 VAL H A 70 LEU HD1% 1.0 . 4.35 1858 1537 A 70 LEU H A 70 LEU HD2% 1.0 . 4.66 1859 1537 A 70 LEU H A 70 LEU HD1% 1.0 . 4.66 1860 1538 A 70 LEU HA A 70 LEU HD2% 1.0 . 3.84 1861 1538 A 70 LEU HA A 70 LEU HD1% 1.0 . 3.84 1862 1539 A 70 LEU HB2 A 74 LEU HD2% 1.0 . 4.37 1863 1539 A 70 LEU HB2 A 74 LEU HD1% 1.0 . 4.37 1864 1540 A 70 LEU HB3 A 70 LEU HD2% 1.0 . 2.90 1865 1540 A 70 LEU HB3 A 70 LEU HD1% 1.0 . 2.90 1866 1541 A 71 MET H A 70 LEU HD2% 1.0 . 3.69 1867 1541 A 71 MET H A 70 LEU HD1% 1.0 . 3.69 1868 1542 A 71 MET HA A 70 LEU HD2% 1.0 . 4.57 1869 1542 A 71 MET HA A 70 LEU HD1% 1.0 . 4.57 1870 1543 A 70 LEU HD2% A 71 MET HB3 1.0 . 2.66 1871 1543 A 70 LEU HD1% A 71 MET HB3 1.0 . 2.66 1872 1543 A 71 MET HB2 A 70 LEU HD2% 1.0 . 2.66 1873 1543 A 70 LEU HD1% A 71 MET HB2 1.0 . 2.66 1874 1544 A 70 LEU HD1% A 71 MET HG3 1.0 . 4.32 1875 1544 A 70 LEU HD2% A 71 MET HG3 1.0 . 4.32 1876 1544 A 71 MET HG2 A 70 LEU HD2% 1.0 . 4.32 1877 1544 A 70 LEU HD1% A 71 MET HG2 1.0 . 4.32 1878 1545 A 72 LYS H A 70 LEU HD2% 1.0 . 4.43 1879 1545 A 72 LYS H A 70 LEU HD1% 1.0 . 4.43 1880 1546 A 74 LEU H A 70 LEU HD2% 1.0 . 5.44 1881 1546 A 74 LEU H A 70 LEU HD1% 1.0 . 5.44 1882 1547 A 70 LEU HD2% A 74 LEU HD2% 1.0 . 4.14 1883 1547 A 70 LEU HD1% A 74 LEU HD2% 1.0 . 4.14 1884 1547 A 74 LEU HD1% A 70 LEU HD2% 1.0 . 4.14 1885 1547 A 74 LEU HD1% A 70 LEU HD1% 1.0 . 4.14 1886 1548 A 81 TRP HZ2 A 70 LEU HD2% 1.0 . 4.09 1887 1548 A 81 TRP HZ2 A 70 LEU HD1% 1.0 . 4.09 1888 1549 A 81 TRP HH2 A 70 LEU HD2% 1.0 . 3.78 1889 1549 A 81 TRP HH2 A 70 LEU HD1% 1.0 . 3.78 1890 1550 A 84 ILE HD1% A 70 LEU HD2% 1.0 . 5.04 1891 1550 A 84 ILE HD1% A 70 LEU HD1% 1.0 . 5.04 1892 1551 A 71 MET H A 71 MET HB3 1.0 . 2.72 1893 1551 A 71 MET H A 71 MET HB2 1.0 . 2.72 1894 1552 A 71 MET H A 71 MET HG3 1.0 . 2.96 1895 1552 A 71 MET H A 71 MET HG2 1.0 . 2.96 1896 1553 A 71 MET H A 74 LEU HD2% 1.0 . 4.23 1897 1553 A 71 MET H A 74 LEU HD1% 1.0 . 4.23 1898 1554 A 71 MET HA A 71 MET HG3 1.0 . 3.62 1899 1554 A 71 MET HA A 71 MET HG2 1.0 . 3.62 1900 1555 A 71 MET HA A 74 LEU HD2% 1.0 . 3.78 1901 1555 A 71 MET HA A 74 LEU HD1% 1.0 . 3.78 1902 1556 A 71 MET HB3 A 71 MET HG3 1.0 . 2.25 1903 1556 A 71 MET HB2 A 71 MET HG3 1.0 . 2.25 1904 1556 A 71 MET HG2 A 71 MET HB3 1.0 . 2.25 1905 1556 A 71 MET HB2 A 71 MET HG2 1.0 . 2.25 1906 1557 A 71 MET HB2 A 74 LEU HD2% 1.0 . 4.98 1907 1557 A 71 MET HB3 A 74 LEU HD2% 1.0 . 4.98 1908 1557 A 74 LEU HD1% A 71 MET HB3 1.0 . 4.98 1909 1557 A 74 LEU HD1% A 71 MET HB2 1.0 . 4.98 1910 1558 A 72 LYS H A 71 MET HG3 1.0 . 4.90 1911 1558 A 72 LYS H A 71 MET HG2 1.0 . 4.90 1912 1559 A 72 LYS H A 72 LYS HG3 1.0 . 4.37 1913 1559 A 72 LYS H A 72 LYS HG2 1.0 . 4.37 1914 1560 A 72 LYS H A 72 LYS HE2 1.0 . 5.34 1915 1560 A 72 LYS H A 72 LYS HE3 1.0 . 5.34 1916 1561 A 72 LYS H A 74 LEU HD2% 1.0 . 4.94 1917 1561 A 72 LYS H A 74 LEU HD1% 1.0 . 4.94 1918 1562 A 72 LYS HA A 72 LYS HG3 1.0 . 3.34 1919 1562 A 72 LYS HA A 72 LYS HG2 1.0 . 3.34 1920 1563 A 72 LYS HA A 72 LYS HE2 1.0 . 3.55 1921 1563 A 72 LYS HA A 72 LYS HE3 1.0 . 3.55 1922 1564 A 72 LYS HA A 75 GLU HB2 1.0 . 3.10 1923 1564 A 72 LYS HA A 75 GLU HB3 1.0 . 3.10 1924 1565 A 72 LYS HA A 75 GLU HG3 1.0 . 3.56 1925 1565 A 72 LYS HA A 75 GLU HG2 1.0 . 3.56 1926 1566 A 72 LYS HB2 A 72 LYS HE2 1.0 . 4.00 1927 1566 A 72 LYS HB2 A 72 LYS HE3 1.0 . 4.00 1928 1567 A 72 LYS HB2 A 75 GLU HG3 1.0 . 5.18 1929 1567 A 72 LYS HB2 A 75 GLU HG2 1.0 . 5.18 1930 1568 A 72 LYS HE3 A 72 LYS HG3 1.0 . 3.02 1931 1568 A 72 LYS HE2 A 72 LYS HG3 1.0 . 3.02 1932 1568 A 72 LYS HG2 A 72 LYS HE2 1.0 . 3.02 1933 1568 A 72 LYS HG2 A 72 LYS HE3 1.0 . 3.02 1934 1569 A 73 LEU HA A 72 LYS HG3 1.0 . 4.39 1935 1569 A 73 LEU HA A 72 LYS HG2 1.0 . 4.39 1936 1570 A 72 LYS HG2 A 75 GLU HG3 1.0 . 5.18 1937 1570 A 72 LYS HG3 A 75 GLU HG3 1.0 . 5.18 1938 1570 A 75 GLU HG2 A 72 LYS HG3 1.0 . 5.18 1939 1570 A 72 LYS HG2 A 75 GLU HG2 1.0 . 5.18 1940 1571 A 72 LYS HE3 A 75 GLU HG3 1.0 . 5.18 1941 1571 A 72 LYS HE2 A 75 GLU HG3 1.0 . 5.18 1942 1571 A 75 GLU HG2 A 72 LYS HE2 1.0 . 5.18 1943 1571 A 72 LYS HE3 A 75 GLU HG2 1.0 . 5.18 1944 1572 A 73 LEU HA A 74 LEU HD2% 1.0 . 5.44 1945 1572 A 73 LEU HA A 74 LEU HD1% 1.0 . 5.44 1946 1573 A 73 LEU HD2% A 74 LEU HD2% 1.0 . 5.44 1947 1573 A 73 LEU HD2% A 74 LEU HD1% 1.0 . 5.44 1948 1574 A 74 LEU H A 74 LEU HD2% 1.0 . 3.47 1949 1574 A 74 LEU H A 74 LEU HD1% 1.0 . 3.47 1950 1575 A 74 LEU HA A 74 LEU HD2% 1.0 . 3.26 1951 1575 A 74 LEU HA A 74 LEU HD1% 1.0 . 3.26 1952 1576 A 75 GLU H A 74 LEU HD2% 1.0 . 4.10 1953 1576 A 75 GLU H A 74 LEU HD1% 1.0 . 4.10 1954 1577 A 77 ALA HB% A 74 LEU HD2% 1.0 . 4.51 1955 1577 A 77 ALA HB% A 74 LEU HD1% 1.0 . 4.51 1956 1578 A 79 GLY H A 74 LEU HD2% 1.0 . 4.22 1957 1578 A 79 GLY H A 74 LEU HD1% 1.0 . 4.22 1958 1579 A 79 GLY HA2 A 74 LEU HD2% 1.0 . 3.88 1959 1579 A 79 GLY HA2 A 74 LEU HD1% 1.0 . 3.88 1960 1580 A 79 GLY HA3 A 74 LEU HD2% 1.0 . 4.05 1961 1580 A 79 GLY HA3 A 74 LEU HD1% 1.0 . 4.05 1962 1581 A 80 ASN H A 74 LEU HD2% 1.0 . 4.79 1963 1581 A 80 ASN H A 74 LEU HD1% 1.0 . 4.79 1964 1582 A 81 TRP H A 74 LEU HD2% 1.0 . 4.51 1965 1582 A 81 TRP H A 74 LEU HD1% 1.0 . 4.51 1966 1583 A 81 TRP HA A 74 LEU HD2% 1.0 . 4.19 1967 1583 A 81 TRP HA A 74 LEU HD1% 1.0 . 4.19 1968 1584 A 81 TRP HD1 A 74 LEU HD2% 1.0 . 3.79 1969 1584 A 81 TRP HD1 A 74 LEU HD1% 1.0 . 3.79 1970 1585 A 81 TRP HE1 A 74 LEU HD2% 1.0 . 3.28 1971 1585 A 81 TRP HE1 A 74 LEU HD1% 1.0 . 3.28 1972 1586 A 81 TRP HH2 A 74 LEU HD2% 1.0 . 4.37 1973 1586 A 81 TRP HH2 A 74 LEU HD1% 1.0 . 4.37 1974 1587 A 84 ILE HG2% A 74 LEU HD2% 1.0 . 3.06 1975 1587 A 84 ILE HG2% A 74 LEU HD1% 1.0 . 3.06 1976 1588 A 84 ILE HD1% A 74 LEU HD2% 1.0 . 3.16 1977 1588 A 84 ILE HD1% A 74 LEU HD1% 1.0 . 3.16 1978 1589 A 75 GLU H A 75 GLU HB2 1.0 . 2.54 1979 1589 A 75 GLU H A 75 GLU HB3 1.0 . 2.54 1980 1590 A 75 GLU H A 75 GLU HG3 1.0 . 3.74 1981 1590 A 75 GLU H A 75 GLU HG2 1.0 . 3.74 1982 1591 A 75 GLU H A 76 GLU HG2 1.0 . 4.79 1983 1591 A 75 GLU H A 76 GLU HG3 1.0 . 4.79 1984 1592 A 75 GLU HA A 75 GLU HB2 1.0 . 2.58 1985 1592 A 75 GLU HA A 75 GLU HB3 1.0 . 2.58 1986 1593 A 75 GLU HA A 75 GLU HG3 1.0 . 3.08 1987 1593 A 75 GLU HA A 75 GLU HG2 1.0 . 3.08 1988 1594 A 76 GLU H A 75 GLU HB2 1.0 . 3.00 1989 1594 A 76 GLU H A 75 GLU HB3 1.0 . 3.00 1990 1595 A 76 GLU H A 76 GLU HG2 1.0 . 3.06 1991 1595 A 76 GLU H A 76 GLU HG3 1.0 . 3.06 1992 1596 A 76 GLU HA A 76 GLU HG2 1.0 . 3.35 1993 1596 A 76 GLU HA A 76 GLU HG3 1.0 . 3.35 1994 1597 A 77 ALA H A 76 GLU HG2 1.0 . 4.32 1995 1597 A 77 ALA H A 76 GLU HG3 1.0 . 4.32 1996 1598 A 78 GLY H A 78 GLY HA2 1.0 . 2.48 1997 1598 A 78 GLY H A 78 GLY HA3 1.0 . 2.48 1998 1599 A 79 GLY H A 78 GLY HA2 1.0 . 3.07 1999 1599 A 79 GLY H A 78 GLY HA3 1.0 . 3.07 2000 1600 A 81 TRP H A 81 TRP HB3 1.0 . 3.05 2001 1600 A 81 TRP H A 81 TRP HB2 1.0 . 3.05 2002 1601 A 81 TRP HE3 A 81 TRP HB3 1.0 . 3.56 2003 1601 A 81 TRP HE3 A 81 TRP HB2 1.0 . 3.56 2004 1602 A 82 SER H A 81 TRP HB3 1.0 . 3.58 2005 1602 A 82 SER H A 81 TRP HB2 1.0 . 3.58 2006 1603 A 84 ILE HD1% A 81 TRP HB3 1.0 . 4.84 2007 1603 A 84 ILE HD1% A 81 TRP HB2 1.0 . 4.84 2008 1604 A 85 LYS HD2 A 81 TRP HB3 1.0 . 4.06 2009 1604 A 85 LYS HD2 A 81 TRP HB2 1.0 . 4.06 2010 1605 A 82 SER H A 85 LYS HE3 1.0 . 5.05 2011 1605 A 82 SER H A 85 LYS HE2 1.0 . 5.05 2012 1606 A 82 SER HA A 85 LYS HE3 1.0 . 4.17 2013 1606 A 82 SER HA A 85 LYS HE2 1.0 . 4.17 2014 1607 A 82 SER HB3 A 85 LYS HE3 1.0 . 5.34 2015 1607 A 82 SER HB2 A 85 LYS HE3 1.0 . 5.34 2016 1607 A 85 LYS HE2 A 82 SER HB2 1.0 . 5.34 2017 1607 A 82 SER HB3 A 85 LYS HE2 1.0 . 5.34 2018 1608 A 83 TYR HA A 86 LEU HD2% 1.0 . 3.22 2019 1608 A 83 TYR HA A 86 LEU HD1% 1.0 . 3.22 2020 1609 A 83 TYR HB2 A 86 LEU HD2% 1.0 . 5.00 2021 1609 A 83 TYR HB2 A 86 LEU HD1% 1.0 . 5.00 2022 1610 A 83 TYR HB3 A 86 LEU HD2% 1.0 . 5.44 2023 1610 A 83 TYR HB3 A 86 LEU HD1% 1.0 . 5.44 2024 1611 A 84 ILE HB A 85 LYS HE3 1.0 . 5.34 2025 1611 A 84 ILE HB A 85 LYS HE2 1.0 . 5.34 2026 1612 A 84 ILE HG2% A 85 LYS HE3 1.0 . 5.34 2027 1612 A 84 ILE HG2% A 85 LYS HE2 1.0 . 5.34 2028 1613 A 85 LYS HB2 A 85 LYS HE3 1.0 . 3.67 2029 1613 A 85 LYS HB2 A 85 LYS HE2 1.0 . 3.67 2030 1614 A 85 LYS HB3 A 85 LYS HE3 1.0 . 3.91 2031 1614 A 85 LYS HB3 A 85 LYS HE2 1.0 . 3.91 2032 1615 A 85 LYS HG3 A 85 LYS HE3 1.0 . 3.67 2033 1615 A 85 LYS HG3 A 85 LYS HE2 1.0 . 3.67 2034 1616 A 85 LYS HD2 A 85 LYS HE3 1.0 . 2.63 2035 1616 A 85 LYS HD2 A 85 LYS HE2 1.0 . 2.63 2036 1617 A 86 LEU HA A 86 LEU HD2% 1.0 . 3.38 2037 1617 A 86 LEU HA A 86 LEU HD1% 1.0 . 3.38 2038 1618 A 86 LEU HB2 A 86 LEU HD2% 1.0 . 2.78 2039 1618 A 86 LEU HB2 A 86 LEU HD1% 1.0 . 2.78 2040 1619 A 86 LEU HB3 A 86 LEU HD2% 1.0 . 2.53 2041 1619 A 86 LEU HB3 A 86 LEU HD1% 1.0 . 2.53 2042 1620 A 86 LEU HB3 A 87 ASP HB3 1.0 . 4.90 2043 1620 A 86 LEU HB3 A 87 ASP HB2 1.0 . 4.90 2044 1621 A 86 LEU HD2% A 87 ASP HB3 1.0 . 4.28 2045 1621 A 86 LEU HD1% A 87 ASP HB3 1.0 . 4.28 2046 1621 A 87 ASP HB2 A 86 LEU HD2% 1.0 . 4.28 2047 1621 A 86 LEU HD1% A 87 ASP HB2 1.0 . 4.28 2048 1622 A 87 ASP HA A 87 ASP HB3 1.0 . 2.52 2049 1622 A 87 ASP HA A 87 ASP HB2 1.0 . 2.52 2050 1623 A 89 TYR H A 87 ASP HB3 1.0 . 4.03 2051 1623 A 89 TYR H A 87 ASP HB2 1.0 . 4.03 2052 1624 A 90 THR HA A 87 ASP HB3 1.0 . 5.34 2053 1624 A 90 THR HA A 87 ASP HB2 1.0 . 5.34 2054 1625 A 90 THR HB A 87 ASP HB3 1.0 . 3.38 2055 1625 A 90 THR HB A 87 ASP HB2 1.0 . 3.38 2056 1626 A 88 ASN HD21 A 89 TYR HB2 1.0 . 4.81 2057 1626 A 88 ASN HD21 A 89 TYR HB3 1.0 . 4.81 2058 1627 A 92 LEU H A 89 TYR HB2 1.0 . 5.27 2059 1627 A 92 LEU H A 89 TYR HB3 1.0 . 5.27 2060 1628 A 89 TYR HB2 A 92 LEU HB3 1.0 . 4.24 2061 1628 A 92 LEU HB2 A 89 TYR HB2 1.0 . 4.24 2062 1628 A 89 TYR HB3 A 92 LEU HB2 1.0 . 4.24 2063 1628 A 89 TYR HB3 A 92 LEU HB3 1.0 . 4.24 2064 1629 A 93 VAL H A 89 TYR HB2 1.0 . 5.33 2065 1629 A 93 VAL H A 89 TYR HB3 1.0 . 5.33 2066 1630 A 92 LEU H A 92 LEU HB3 1.0 . 3.00 2067 1630 A 92 LEU H A 92 LEU HB2 1.0 . 3.00 2068 1631 A 92 LEU HD1% A 92 LEU HB3 1.0 . 3.12 2069 1631 A 92 LEU HD1% A 92 LEU HB2 1.0 . 3.12 2070 1632 A 92 LEU HD2% A 92 LEU HB3 1.0 . 3.22 2071 1632 A 92 LEU HD2% A 92 LEU HB2 1.0 . 3.22 2072 1633 A 93 VAL H A 92 LEU HB3 1.0 . 3.60 2073 1633 A 93 VAL H A 92 LEU HB2 1.0 . 3.60 2074 1634 A 95 ALA H A 92 LEU HB3 1.0 . 5.27 2075 1634 A 95 ALA H A 92 LEU HB2 1.0 . 5.27 2076 1635 A 95 ALA H A 96 ILE HG12 1.0 . 5.34 2077 1635 A 95 ALA H A 96 ILE HG13 1.0 . 5.34 2078 1636 A 95 ALA HA A 98 SER HB2 1.0 . 3.10 2079 1636 A 95 ALA HA A 98 SER HB3 1.0 . 3.10 2080 1637 A 96 ILE H A 99 VAL HG1% 1.0 . 4.54 2081 1637 A 96 ILE H A 99 VAL HG2% 1.0 . 4.54 2082 1638 A 96 ILE HA A 99 VAL HG1% 1.0 . 3.08 2083 1638 A 96 ILE HA A 99 VAL HG2% 1.0 . 3.08 2084 1639 A 96 ILE HB A 99 VAL HG1% 1.0 . 5.44 2085 1639 A 96 ILE HB A 99 VAL HG2% 1.0 . 5.44 2086 1640 A 96 ILE HG2% A 99 VAL HG1% 1.0 . 4.91 2087 1640 A 96 ILE HG2% A 99 VAL HG2% 1.0 . 4.91 2088 1641 A 96 ILE HG2% A 100 GLU HG3 1.0 . 4.72 2089 1641 A 96 ILE HG2% A 100 GLU HG2 1.0 . 4.72 2090 1642 A 97 TYR HA A 100 GLU HG3 1.0 . 3.94 2091 1642 A 97 TYR HA A 100 GLU HG2 1.0 . 3.94 2092 1643 A 98 SER H A 98 SER HB2 1.0 . 2.69 2093 1643 A 98 SER H A 98 SER HB3 1.0 . 2.69 2094 1644 A 98 SER H A 99 VAL HG1% 1.0 . 4.12 2095 1644 A 98 SER H A 99 VAL HG2% 1.0 . 4.12 2096 1645 A 98 SER HA A 101 ASP HB3 1.0 . 3.71 2097 1645 A 98 SER HA A 101 ASP HB2 1.0 . 3.71 2098 1646 A 99 VAL H A 98 SER HB2 1.0 . 3.07 2099 1646 A 99 VAL H A 98 SER HB3 1.0 . 3.07 2100 1647 A 99 VAL H A 99 VAL HG1% 1.0 . 2.89 2101 1647 A 99 VAL H A 99 VAL HG2% 1.0 . 2.89 2102 1648 A 99 VAL H A 100 GLU HG3 1.0 . 4.93 2103 1648 A 99 VAL H A 100 GLU HG2 1.0 . 4.93 2104 1649 A 100 GLU H A 99 VAL HG1% 1.0 . 3.28 2105 1649 A 100 GLU H A 99 VAL HG2% 1.0 . 3.28 2106 1650 A 100 GLU HA A 99 VAL HG1% 1.0 . 4.23 2107 1650 A 100 GLU HA A 99 VAL HG2% 1.0 . 4.23 2108 1651 A 100 GLU HB2 A 99 VAL HG1% 1.0 . 5.44 2109 1651 A 100 GLU HB2 A 99 VAL HG2% 1.0 . 5.44 2110 1652 A 100 GLU HB3 A 99 VAL HG1% 1.0 . 4.47 2111 1652 A 100 GLU HB3 A 99 VAL HG2% 1.0 . 4.47 2112 1653 A 101 ASP H A 99 VAL HG1% 1.0 . 4.52 2113 1653 A 101 ASP H A 99 VAL HG2% 1.0 . 4.52 2114 1654 A 100 GLU H A 100 GLU HG3 1.0 . 3.03 2115 1654 A 100 GLU H A 100 GLU HG2 1.0 . 3.03 2116 1655 A 101 ASP H A 100 GLU HG3 1.0 . 3.50 2117 1655 A 101 ASP H A 100 GLU HG2 1.0 . 3.50 2118 1656 A 101 ASP H A 101 ASP HB3 1.0 . 2.95 2119 1656 A 101 ASP H A 101 ASP HB2 1.0 . 2.95 2120 1657 A 101 ASP H A 102 GLU HG2 1.0 . 5.34 2121 1657 A 101 ASP H A 102 GLU HG3 1.0 . 5.34 2122 1658 A 102 GLU H A 101 ASP HB3 1.0 . 3.43 2123 1658 A 102 GLU H A 101 ASP HB2 1.0 . 3.43 2124 1659 A 101 ASP HB3 A 102 GLU HG2 1.0 . 4.40 2125 1659 A 101 ASP HB2 A 102 GLU HG2 1.0 . 4.40 2126 1659 A 102 GLU HG3 A 101 ASP HB3 1.0 . 4.40 2127 1659 A 101 ASP HB2 A 102 GLU HG3 1.0 . 4.40 2128 1660 A 102 GLU H A 102 GLU HG2 1.0 . 2.97 2129 1660 A 102 GLU H A 102 GLU HG3 1.0 . 2.97 2130 1661 A 102 GLU HA A 102 GLU HB3 1.0 . 2.63 2131 1661 A 102 GLU HA A 102 GLU HB2 1.0 . 2.63 2132 1662 A 102 GLU HA A 102 GLU HG2 1.0 . 3.69 2133 1662 A 102 GLU HA A 102 GLU HG3 1.0 . 3.69 2134 1663 A 103 ASN HA A 102 GLU HB3 1.0 . 5.34 2135 1663 A 103 ASN HA A 102 GLU HB2 1.0 . 5.34 2136 1664 A 103 ASN HD21 A 102 GLU HB3 1.0 . 4.78 2137 1664 A 103 ASN HD21 A 102 GLU HB2 1.0 . 4.78 2138 1665 A 104 LYS H A 102 GLU HB3 1.0 . 4.48 2139 1665 A 104 LYS H A 102 GLU HB2 1.0 . 4.48 2140 1666 A 105 GLN HE21 A 102 GLU HB3 1.0 . 5.34 2141 1666 A 105 GLN HE21 A 102 GLU HB2 1.0 . 5.34 2142 1667 A 103 ASN H A 102 GLU HG2 1.0 . 4.69 2143 1667 A 103 ASN H A 102 GLU HG3 1.0 . 4.69 2144 1668 A 103 ASN H A 104 LYS HG2 1.0 . 4.89 2145 1668 A 103 ASN H A 104 LYS HG3 1.0 . 4.89 2146 1669 A 104 LYS H A 104 LYS HG2 1.0 . 3.14 2147 1669 A 104 LYS H A 104 LYS HG3 1.0 . 3.14 2148 1670 A 104 LYS H A 105 GLN HG2 1.0 . 4.75 2149 1670 A 104 LYS H A 105 GLN HG3 1.0 . 4.75 2150 1671 A 104 LYS HA A 104 LYS HG2 1.0 . 3.71 2151 1671 A 104 LYS HG3 A 104 LYS HA 1.0 . 3.71 2152 1672 A 104 LYS HE2 A 104 LYS HG2 1.0 . 3.20 2153 1672 A 104 LYS HE3 A 104 LYS HG2 1.0 . 3.20 2154 1672 A 104 LYS HG3 A 104 LYS HE3 1.0 . 3.20 2155 1672 A 104 LYS HG3 A 104 LYS HE2 1.0 . 3.20 2156 1673 A 105 GLN H A 104 LYS HG2 1.0 . 3.38 2157 1673 A 105 GLN H A 104 LYS HG3 1.0 . 3.38 2158 1674 A 105 GLN HE21 A 104 LYS HG2 1.0 . 4.79 2159 1674 A 105 GLN HE21 A 104 LYS HG3 1.0 . 4.79 2160 1675 A 105 GLN HA A 104 LYS HD3 1.0 . 5.34 2161 1675 A 105 GLN HA A 104 LYS HD2 1.0 . 5.34 2162 1676 A 104 LYS HE2 A 105 GLN HG2 1.0 . 5.12 2163 1676 A 104 LYS HE3 A 105 GLN HG2 1.0 . 5.12 2164 1676 A 105 GLN HG3 A 104 LYS HE3 1.0 . 5.12 2165 1676 A 105 GLN HG3 A 104 LYS HE2 1.0 . 5.12 2166 1677 A 105 GLN HE21 A 104 LYS HE3 1.0 . 4.82 2167 1677 A 105 GLN HE21 A 104 LYS HE2 1.0 . 4.82 2168 1678 A 105 GLN H A 105 GLN HB2 1.0 . 3.32 2169 1678 A 105 GLN H A 105 GLN HB3 1.0 . 3.32 2170 1679 A 105 GLN H A 105 GLN HG2 1.0 . 3.73 2171 1679 A 105 GLN H A 105 GLN HG3 1.0 . 3.73 2172 1680 A 105 GLN HA A 105 GLN HG2 1.0 . 3.57 2173 1680 A 105 GLN HA A 105 GLN HG3 1.0 . 3.57 2174 1681 A 105 GLN HE21 A 105 GLN HG2 1.0 . 3.00 2175 1681 A 105 GLN HE21 A 105 GLN HG3 1.0 . 3.00 2176 1682 A 106 SER H A 106 SER HB2 1.0 . 3.61 2177 1682 A 106 SER H A 106 SER HB3 1.0 . 3.61 2178 1683 A 106 SER HA A 106 SER HB2 1.0 . 2.31 2179 1683 A 106 SER HB3 A 106 SER HA 1.0 . 2.31 2180 1684 A 107 GLU H A 107 GLU HB2 1.0 . 2.69 2181 1684 A 107 GLU H A 107 GLU HB3 1.0 . 2.69 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 33 SER C A 34 ASP N A 34 ASP CA A 34 ASP C 1.0 -88.8 -46.4 PHI 2 2 A 34 ASP N A 34 ASP CA A 34 ASP C A 35 LEU N 1.0 -58.7 -21.7 PSI 3 3 A 34 ASP C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -95.0 -44.8 PHI 4 4 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 ASP N 1.0 -76.2 15.3 PSI 5 5 A 35 LEU C A 36 ASP N A 36 ASP CA A 36 ASP C 1.0 -126.2 -21.8 PHI 6 6 A 36 ASP N A 36 ASP CA A 36 ASP C A 37 MET N 1.0 -65.3 6.9 PSI 7 7 A 36 ASP C A 37 MET N A 37 MET CA A 37 MET C 1.0 -80.9 -48.6 PHI 8 8 A 37 MET N A 37 MET CA A 37 MET C A 38 GLN N 1.0 -61.6 -17.5 PSI 9 9 A 37 MET C A 38 GLN N A 38 GLN CA A 38 GLN C 1.0 -77.4 -49.5 PHI 10 10 A 38 GLN N A 38 GLN CA A 38 GLN C A 39 GLN N 1.0 -83.7 14.2 PSI 11 11 A 38 GLN C A 39 GLN N A 39 GLN CA A 39 GLN C 1.0 -91.2 -46.4 PHI 12 12 A 39 GLN N A 39 GLN CA A 39 GLN C A 40 ALA N 1.0 -61.4 1.8 PSI 13 13 A 39 GLN C A 40 ALA N A 40 ALA CA A 40 ALA C 1.0 -99.8 -33.3 PHI 14 14 A 40 ALA N A 40 ALA CA A 40 ALA C A 41 MET N 1.0 -89.7 32.9 PSI 15 15 A 40 ALA C A 41 MET N A 41 MET CA A 41 MET C 1.0 -130.5 -21.2 PHI 16 16 A 41 MET N A 41 MET CA A 41 MET C A 42 LEU N 1.0 -79.4 26.8 PSI 17 17 A 41 MET C A 42 LEU N A 42 LEU CA A 42 LEU C 1.0 -121.3 -47.0 PHI 18 18 A 42 LEU N A 42 LEU CA A 42 LEU C A 43 THR N 1.0 -65.0 37.1 PSI 19 19 A 45 LYS C A 46 ASP N A 46 ASP CA A 46 ASP C 1.0 -150.5 -36.5 PHI 20 20 A 46 ASP N A 46 ASP CA A 46 ASP C A 47 GLU N 1.0 76.0 187.1 PSI 21 21 A 46 ASP C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -70.8 -49.6 PHI 22 22 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 LYS N 1.0 -53.3 -27.1 PSI 23 23 A 47 GLU C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -71.2 -51.2 PHI 24 24 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 VAL N 1.0 -56.1 -33.1 PSI 25 25 A 48 LYS C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -88.0 -46.8 PHI 26 26 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 LEU N 1.0 -62.1 -22.5 PSI 27 27 A 49 VAL C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -68.0 -48.0 PHI 28 28 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 LYS N 1.0 -60.5 -21.5 PSI 29 29 A 50 LEU C A 51 LYS N A 51 LYS CA A 51 LYS C 1.0 -76.7 -50.2 PHI 30 30 A 51 LYS N A 51 LYS CA A 51 LYS C A 52 ALA N 1.0 -53.4 -23.6 PSI 31 31 A 51 LYS C A 52 ALA N A 52 ALA CA A 52 ALA C 1.0 -72.1 -52.1 PHI 32 32 A 52 ALA N A 52 ALA CA A 52 ALA C A 53 LEU N 1.0 -64.5 -24.0 PSI 33 33 A 52 ALA C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -75.7 -54.0 PHI 34 34 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 GLU N 1.0 -46.0 -20.6 PSI 35 35 A 53 LEU C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -77.3 -57.3 PHI 36 36 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 ARG N 1.0 -51.9 -21.5 PSI 37 37 A 54 GLU C A 55 ARG N A 55 ARG CA A 55 ARG C 1.0 -75.2 -51.1 PHI 38 38 A 55 ARG N A 55 ARG CA A 55 ARG C A 56 THR N 1.0 -53.6 -33.6 PSI 39 39 A 55 ARG C A 56 THR N A 56 THR CA A 56 THR C 1.0 -73.8 -52.0 PHI 40 40 A 56 THR N A 56 THR CA A 56 THR C A 57 ARG N 1.0 -53.3 -31.2 PSI 41 41 A 56 THR C A 57 ARG N A 57 ARG CA A 57 ARG C 1.0 -75.0 -54.4 PHI 42 42 A 57 ARG N A 57 ARG CA A 57 ARG C A 58 GLN N 1.0 -52.4 -27.4 PSI 43 43 A 57 ARG C A 58 GLN N A 58 GLN CA A 58 GLN C 1.0 -74.7 -54.6 PHI 44 44 A 58 GLN N A 58 GLN CA A 58 GLN C A 59 LEU N 1.0 -46.4 -13.3 PSI 45 45 A 58 GLN C A 59 LEU N A 59 LEU CA A 59 LEU C 1.0 -110.6 -74.3 PHI 46 46 A 59 LEU N A 59 LEU CA A 59 LEU C A 60 ASP N 1.0 -11.6 21.4 PSI 47 47 A 60 ASP C A 61 ILE N A 61 ILE CA A 61 ILE C 1.0 -148.5 -50.3 PHI 48 48 A 61 ILE N A 61 ILE CA A 61 ILE C A 62 PRO N 1.0 57.0 174.8 PSI 49 49 A 62 PRO C A 63 ASP N A 63 ASP CA A 63 ASP C 1.0 -66.9 -43.9 PHI 50 50 A 63 ASP N A 63 ASP CA A 63 ASP C A 64 GLU N 1.0 -65.7 -10.4 PSI 51 51 A 63 ASP C A 64 GLU N A 64 GLU CA A 64 GLU C 1.0 -75.6 -49.0 PHI 52 52 A 64 GLU N A 64 GLU CA A 64 GLU C A 65 LYS N 1.0 -53.7 -4.2 PSI 53 53 A 64 GLU C A 65 LYS N A 65 LYS CA A 65 LYS C 1.0 -111.6 -40.3 PHI 54 54 A 65 LYS N A 65 LYS CA A 65 LYS C A 66 THR N 1.0 -62.8 8.8 PSI 55 55 A 65 LYS C A 66 THR N A 66 THR CA A 66 THR C 1.0 -75.7 -44.8 PHI 56 56 A 66 THR N A 66 THR CA A 66 THR C A 67 MET N 1.0 -53.1 -31.4 PSI 57 57 A 66 THR C A 67 MET N A 67 MET CA A 67 MET C 1.0 -74.3 -49.0 PHI 58 58 A 67 MET N A 67 MET CA A 67 MET C A 68 PRO N 1.0 -76.5 24.4 PSI 59 59 A 68 PRO C A 69 VAL N A 69 VAL CA A 69 VAL C 1.0 -79.1 -52.6 PHI 60 60 A 69 VAL N A 69 VAL CA A 69 VAL C A 70 LEU N 1.0 -56.6 -28.3 PSI 61 61 A 69 VAL C A 70 LEU N A 70 LEU CA A 70 LEU C 1.0 -70.2 -50.2 PHI 62 62 A 70 LEU N A 70 LEU CA A 70 LEU C A 71 MET N 1.0 -55.8 -32.2 PSI 63 63 A 70 LEU C A 71 MET N A 71 MET CA A 71 MET C 1.0 -73.0 -51.0 PHI 64 64 A 71 MET N A 71 MET CA A 71 MET C A 72 LYS N 1.0 -50.2 -23.7 PSI 65 65 A 71 MET C A 72 LYS N A 72 LYS CA A 72 LYS C 1.0 -73.8 -53.8 PHI 66 66 A 72 LYS N A 72 LYS CA A 72 LYS C A 73 LEU N 1.0 -52.6 -31.1 PSI 67 67 A 72 LYS C A 73 LEU N A 73 LEU CA A 73 LEU C 1.0 -83.5 -47.7 PHI 68 68 A 73 LEU N A 73 LEU CA A 73 LEU C A 74 LEU N 1.0 -51.2 -31.2 PSI 69 69 A 73 LEU C A 74 LEU N A 74 LEU CA A 74 LEU C 1.0 -74.3 -54.3 PHI 70 70 A 74 LEU N A 74 LEU CA A 74 LEU C A 75 GLU N 1.0 -51.6 -25.0 PSI 71 71 A 74 LEU C A 75 GLU N A 75 GLU CA A 75 GLU C 1.0 -74.5 -54.5 PHI 72 72 A 75 GLU N A 75 GLU CA A 75 GLU C A 76 GLU N 1.0 -53.2 -30.1 PSI 73 73 A 75 GLU C A 76 GLU N A 76 GLU CA A 76 GLU C 1.0 -75.7 -55.7 PHI 74 74 A 76 GLU N A 76 GLU CA A 76 GLU C A 77 ALA N 1.0 -51.7 2.2 PSI 75 75 A 76 GLU C A 77 ALA N A 77 ALA CA A 77 ALA C 1.0 -121.6 -75.2 PHI 76 76 A 77 ALA N A 77 ALA CA A 77 ALA C A 78 GLY N 1.0 -18.0 22.3 PSI 77 77 A 77 ALA C A 78 GLY N A 78 GLY CA A 78 GLY C 1.0 46.0 99.9 PHI 78 78 A 78 GLY N A 78 GLY CA A 78 GLY C A 79 GLY N 1.0 -11.8 51.9 PSI 79 79 A 79 GLY C A 80 ASN N A 80 ASN CA A 80 ASN C 1.0 -114.9 -70.7 PHI 80 80 A 80 ASN N A 80 ASN CA A 80 ASN C A 81 TRP N 1.0 104.1 179.2 PSI 81 81 A 80 ASN C A 81 TRP N A 81 TRP CA A 81 TRP C 1.0 -102.3 -28.1 PHI 82 82 A 81 TRP N A 81 TRP CA A 81 TRP C A 82 SER N 1.0 -56.2 -7.8 PSI 83 83 A 81 TRP C A 82 SER N A 82 SER CA A 82 SER C 1.0 -70.5 -50.5 PHI 84 84 A 82 SER N A 82 SER CA A 82 SER C A 83 TYR N 1.0 -54.3 -21.8 PSI 85 85 A 82 SER C A 83 TYR N A 83 TYR CA A 83 TYR C 1.0 -86.6 -46.8 PHI 86 86 A 83 TYR N A 83 TYR CA A 83 TYR C A 84 ILE N 1.0 -59.5 1.1 PSI 87 87 A 83 TYR C A 84 ILE N A 84 ILE CA A 84 ILE C 1.0 -73.8 -51.1 PHI 88 88 A 84 ILE N A 84 ILE CA A 84 ILE C A 85 LYS N 1.0 -52.0 -23.3 PSI 89 89 A 84 ILE C A 85 LYS N A 85 LYS CA A 85 LYS C 1.0 -130.4 -48.6 PHI 90 90 A 85 LYS N A 85 LYS CA A 85 LYS C A 86 LEU N 1.0 -46.9 15.4 PSI 91 91 A 89 TYR C A 90 THR N A 90 THR CA A 90 THR C 1.0 -73.4 -46.7 PHI 92 92 A 90 THR N A 90 THR CA A 90 THR C A 91 ALA N 1.0 -64.2 -22.1 PSI 93 93 A 90 THR C A 91 ALA N A 91 ALA CA A 91 ALA C 1.0 -70.3 -48.7 PHI 94 94 A 91 ALA N A 91 ALA CA A 91 ALA C A 92 LEU N 1.0 -59.2 -16.1 PSI 95 95 A 91 ALA C A 92 LEU N A 92 LEU CA A 92 LEU C 1.0 -81.1 -53.4 PHI 96 96 A 92 LEU N A 92 LEU CA A 92 LEU C A 93 VAL N 1.0 -55.9 -27.6 PSI 97 97 A 92 LEU C A 93 VAL N A 93 VAL CA A 93 VAL C 1.0 -75.0 -43.4 PHI 98 98 A 93 VAL N A 93 VAL CA A 93 VAL C A 94 ASP N 1.0 -60.1 -25.8 PSI 99 99 A 93 VAL C A 94 ASP N A 94 ASP CA A 94 ASP C 1.0 -73.6 -47.4 PHI 100 100 A 94 ASP N A 94 ASP CA A 94 ASP C A 95 ALA N 1.0 -54.8 -30.0 PSI 101 101 A 94 ASP C A 95 ALA N A 95 ALA CA A 95 ALA C 1.0 -76.0 -55.8 PHI 102 102 A 95 ALA N A 95 ALA CA A 95 ALA C A 96 ILE N 1.0 -56.3 -30.3 PSI 103 103 A 95 ALA C A 96 ILE N A 96 ILE CA A 96 ILE C 1.0 -86.8 -45.4 PHI 104 104 A 96 ILE N A 96 ILE CA A 96 ILE C A 97 TYR N 1.0 -65.6 -9.8 PSI 105 105 A 96 ILE C A 97 TYR N A 97 TYR CA A 97 TYR C 1.0 -80.2 -53.3 PHI 106 106 A 97 TYR N A 97 TYR CA A 97 TYR C A 98 SER N 1.0 -53.3 12.8 PSI 107 107 A 97 TYR C A 98 SER N A 98 SER CA A 98 SER C 1.0 -75.0 -50.8 PHI 108 108 A 98 SER N A 98 SER CA A 98 SER C A 99 VAL N 1.0 -54.7 -32.2 PSI 109 109 A 98 SER C A 99 VAL N A 99 VAL CA A 99 VAL C 1.0 -86.5 -47.7 PHI 110 110 A 99 VAL N A 99 VAL CA A 99 VAL C A 100 GLU N 1.0 -71.6 -4.7 PSI stop_ save_