data_nef_c16988_2kyw save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code TargetDB PtR41O stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ASP middle . . 3 A 3 GLU middle . . 4 A 4 ASP middle . . 5 A 5 ALA middle . . 6 A 6 THR middle . . 7 A 7 ILE middle . . 8 A 8 THR middle . . 9 A 9 TYR middle . . 10 A 10 VAL middle . . 11 A 11 ASP middle . . 12 A 12 ASP middle . . 13 A 13 ASP middle . . 14 A 14 LYS middle . . 15 A 15 GLY middle . false 16 A 16 GLY middle . false 17 A 17 ALA middle . . 18 A 18 GLN middle . . 19 A 19 VAL middle . . 20 A 20 GLY middle . false 21 A 21 ASP middle . . 22 A 22 ILE middle . . 23 A 23 VAL middle . . 24 A 24 THR middle . . 25 A 25 VAL middle . . 26 A 26 THR middle . . 27 A 27 GLY middle . false 28 A 28 LYS middle . . 29 A 29 THR middle . . 30 A 30 ASP middle . . 31 A 31 ASP middle . . 32 A 32 SER middle . . 33 A 33 THR middle . . 34 A 34 THR middle . . 35 A 35 TYR middle . . 36 A 36 THR middle . . 37 A 37 VAL middle . . 38 A 38 THR middle . . 39 A 39 ILE middle . . 40 A 40 PRO middle . false 41 A 41 ASP middle . . 42 A 42 GLY middle . false 43 A 43 TYR middle . . 44 A 44 GLU middle . . 45 A 45 TYR middle . . 46 A 46 VAL middle . . 47 A 47 GLY middle . false 48 A 48 THR middle . . 49 A 49 ASP middle . . 50 A 50 GLY middle . false 51 A 51 GLY middle . false 52 A 52 VAL middle . . 53 A 53 VAL middle . . 54 A 54 SER middle . . 55 A 55 SER middle . . 56 A 56 ASP middle . . 57 A 57 GLY middle . false 58 A 58 LYS middle . . 59 A 59 THR middle . . 60 A 60 VAL middle . . 61 A 61 THR middle . . 62 A 62 ILE middle . . 63 A 63 THR middle . . 64 A 64 PHE middle . . 65 A 65 ALA middle . . 66 A 66 ALA middle . . 67 A 67 ASP middle . . 68 A 68 ASP middle . . 69 A 69 SER middle . . 70 A 70 ASP middle . . 71 A 71 ASN middle . . 72 A 72 VAL middle . . 73 A 73 VAL middle . . 74 A 74 ILE middle . . 75 A 75 HIS middle . . 76 A 76 LEU middle . . 77 A 77 LYS middle . . 78 A 78 HIS middle . . 79 A 79 GLY middle . false 80 A 80 LEU middle . . 81 A 81 GLU middle . . 82 A 82 HIS middle . . 83 A 83 HIS middle . . 84 A 84 HIS middle . . 85 A 85 HIS middle . . 86 A 86 HIS middle . . 87 A 87 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET H1 H 1 8.461 0.020 A 1 MET HA H 1 4.584 0.020 A 1 MET HBx H 1 1.961 0.020 A 1 MET HBy H 1 2.076 0.020 A 1 MET HE% H 1 2.111 0.020 A 1 MET HGy H 1 2.584 0.020 A 1 MET HGx H 1 2.532 0.020 A 1 MET C C 13 174.931 0.400 A 1 MET CA C 13 53.275 0.400 A 1 MET CB C 13 33.585 0.400 A 1 MET CE C 13 16.786 0.400 A 1 MET CG C 13 31.856 0.400 A 1 MET N N 15 128.790 0.400 A 2 ASP H H 1 8.183 0.020 A 2 ASP HA H 1 4.468 0.020 A 2 ASP HBy H 1 2.335 0.020 A 2 ASP HBx H 1 2.293 0.020 A 2 ASP C C 13 175.508 0.400 A 2 ASP CA C 13 54.875 0.400 A 2 ASP CB C 13 41.010 0.400 A 2 ASP N N 15 121.663 0.400 A 3 GLU H H 1 8.800 0.020 A 3 GLU HA H 1 4.753 0.020 A 3 GLU HBx H 1 1.397 0.020 A 3 GLU HBy H 1 2.095 0.020 A 3 GLU HGy H 1 2.325 0.020 A 3 GLU HGx H 1 1.940 0.020 A 3 GLU C C 13 174.084 0.400 A 3 GLU CA C 13 53.646 0.400 A 3 GLU CB C 13 32.432 0.400 A 3 GLU CG C 13 34.210 0.400 A 3 GLU N N 15 121.663 0.400 A 4 ASP H H 1 8.344 0.020 A 4 ASP HA H 1 5.634 0.020 A 4 ASP HBx H 1 2.551 0.020 A 4 ASP HBy H 1 2.551 0.020 A 4 ASP C C 13 174.892 0.400 A 4 ASP CA C 13 52.261 0.400 A 4 ASP CB C 13 44.300 0.400 A 4 ASP N N 15 115.991 0.400 A 5 ALA H H 1 9.231 0.020 A 5 ALA HA H 1 4.699 0.020 A 5 ALA HB% H 1 1.181 0.020 A 5 ALA C C 13 175.338 0.400 A 5 ALA CA C 13 52.108 0.400 A 5 ALA CB C 13 22.694 0.400 A 5 ALA N N 15 124.042 0.400 A 6 THR H H 1 8.126 0.020 A 6 THR HA H 1 5.462 0.020 A 6 THR HB H 1 3.928 0.020 A 6 THR HG2% H 1 1.056 0.020 A 6 THR C C 13 173.251 0.400 A 6 THR CA C 13 59.019 0.400 A 6 THR CB C 13 71.798 0.400 A 6 THR CG2 C 13 21.085 0.400 A 6 THR N N 15 109.465 0.400 A 7 ILE H H 1 9.195 0.020 A 7 ILE HA H 1 4.567 0.020 A 7 ILE HB H 1 1.355 0.020 A 7 ILE HD1% H 1 -0.023 0.020 A 7 ILE HG1y H 1 0.897 0.020 A 7 ILE HG1x H 1 0.196 0.020 A 7 ILE HG2% H 1 0.302 0.020 A 7 ILE C C 13 174.515 0.400 A 7 ILE CA C 13 61.091 0.400 A 7 ILE CB C 13 40.463 0.400 A 7 ILE CD1 C 13 15.031 0.400 A 7 ILE CG1 C 13 28.368 0.400 A 7 ILE CG2 C 13 19.417 0.400 A 7 ILE N N 15 122.262 0.400 A 8 THR H H 1 7.997 0.020 A 8 THR HA H 1 4.528 0.020 A 8 THR HB H 1 3.722 0.020 A 8 THR HG2% H 1 1.097 0.020 A 8 THR C C 13 172.494 0.400 A 8 THR CA C 13 61.131 0.400 A 8 THR CB C 13 70.907 0.400 A 8 THR CG2 C 13 20.923 0.400 A 8 THR N N 15 121.358 0.400 A 9 TYR H H 1 9.699 0.020 A 9 TYR HA H 1 5.235 0.020 A 9 TYR HBx H 1 2.381 0.020 A 9 TYR HBy H 1 3.338 0.020 A 9 TYR HD1 H 1 7.045 0.020 A 9 TYR HD2 H 1 7.045 0.020 A 9 TYR HE1 H 1 6.752 0.020 A 9 TYR HE2 H 1 6.752 0.020 A 9 TYR C C 13 175.595 0.400 A 9 TYR CA C 13 56.657 0.400 A 9 TYR CB C 13 38.834 0.400 A 9 TYR CD1 C 13 132.412 0.400 A 9 TYR CD2 C 13 132.412 0.400 A 9 TYR CE1 C 13 118.179 0.400 A 9 TYR CE2 C 13 118.179 0.400 A 9 TYR N N 15 127.329 0.400 A 10 VAL H H 1 8.768 0.020 A 10 VAL HA H 1 5.069 0.020 A 10 VAL HB H 1 1.548 0.020 A 10 VAL HG1% H 1 0.548 0.020 A 10 VAL HG2% H 1 0.290 0.020 A 10 VAL C C 13 173.432 0.400 A 10 VAL CA C 13 57.984 0.400 A 10 VAL CB C 13 35.046 0.400 A 10 VAL CG1 C 13 21.522 0.400 A 10 VAL CG2 C 13 17.810 0.400 A 10 VAL N N 15 113.532 0.400 A 11 ASP H H 1 8.943 0.020 A 11 ASP HA H 1 4.769 0.020 A 11 ASP HBx H 1 2.393 0.020 A 11 ASP HBy H 1 2.993 0.020 A 11 ASP C C 13 178.174 0.400 A 11 ASP CA C 13 51.395 0.400 A 11 ASP CB C 13 40.552 0.400 A 11 ASP N N 15 119.038 0.400 A 12 ASP H H 1 9.871 0.020 A 12 ASP HA H 1 4.366 0.020 A 12 ASP HBx H 1 2.807 0.020 A 12 ASP HBy H 1 2.807 0.020 A 12 ASP C C 13 178.328 0.400 A 12 ASP CA C 13 56.852 0.400 A 12 ASP CB C 13 39.915 0.400 A 12 ASP N N 15 129.368 0.400 A 13 ASP H H 1 8.661 0.020 A 13 ASP HA H 1 4.738 0.020 A 13 ASP HBy H 1 2.444 0.020 A 13 ASP HBx H 1 2.387 0.020 A 13 ASP C C 13 176.500 0.400 A 13 ASP CA C 13 55.616 0.400 A 13 ASP CB C 13 39.868 0.400 A 13 ASP N N 15 118.438 0.400 A 14 LYS H H 1 7.394 0.020 A 14 LYS HA H 1 4.664 0.020 A 14 LYS HBx H 1 1.442 0.020 A 14 LYS HBy H 1 2.172 0.020 A 14 LYS HDx H 1 1.758 0.020 A 14 LYS HDy H 1 1.758 0.020 A 14 LYS HEx H 1 3.009 0.020 A 14 LYS HEy H 1 3.009 0.020 A 14 LYS HGy H 1 1.494 0.020 A 14 LYS HGx H 1 1.445 0.020 A 14 LYS C C 13 177.736 0.400 A 14 LYS CA C 13 54.140 0.400 A 14 LYS CB C 13 33.380 0.400 A 14 LYS CD C 13 29.204 0.400 A 14 LYS CE C 13 42.081 0.400 A 14 LYS CG C 13 25.615 0.400 A 14 LYS N N 15 122.448 0.400 A 15 GLY H H 1 8.244 0.020 A 15 GLY HAx H 1 3.895 0.020 A 15 GLY HAy H 1 3.895 0.020 A 15 GLY C C 13 175.068 0.400 A 15 GLY CA C 13 47.045 0.400 A 15 GLY N N 15 108.759 0.400 A 16 GLY H H 1 8.311 0.020 A 16 GLY HAx H 1 3.247 0.020 A 16 GLY HAy H 1 4.119 0.020 A 16 GLY C C 13 173.720 0.400 A 16 GLY CA C 13 45.287 0.400 A 16 GLY N N 15 106.383 0.400 A 17 ALA H H 1 6.791 0.020 A 17 ALA HA H 1 4.163 0.020 A 17 ALA HB% H 1 1.533 0.020 A 17 ALA C C 13 176.533 0.400 A 17 ALA CA C 13 52.276 0.400 A 17 ALA CB C 13 19.529 0.400 A 17 ALA N N 15 121.984 0.400 A 18 GLN H H 1 8.507 0.020 A 18 GLN HA H 1 4.357 0.020 A 18 GLN HBx H 1 1.831 0.020 A 18 GLN HBy H 1 2.174 0.020 A 18 GLN HE2x H 1 6.743 0.020 A 18 GLN HE2y H 1 8.253 0.020 A 18 GLN HGy H 1 2.308 0.020 A 18 GLN HGx H 1 2.281 0.020 A 18 GLN C C 13 176.299 0.400 A 18 GLN CA C 13 57.015 0.400 A 18 GLN CB C 13 29.856 0.400 A 18 GLN CG C 13 33.780 0.400 A 18 GLN N N 15 122.626 0.400 A 18 GLN NE2 N 15 112.807 0.400 A 19 VAL H H 1 8.872 0.020 A 19 VAL HA H 1 4.068 0.020 A 19 VAL HB H 1 1.421 0.020 A 19 VAL HG1% H 1 0.306 0.020 A 19 VAL HG2% H 1 0.668 0.020 A 19 VAL C C 13 176.146 0.400 A 19 VAL CA C 13 61.446 0.400 A 19 VAL CB C 13 32.699 0.400 A 19 VAL CG1 C 13 20.082 0.400 A 19 VAL CG2 C 13 21.404 0.400 A 19 VAL N N 15 129.175 0.400 A 20 GLY H H 1 8.757 0.020 A 20 GLY HAx H 1 3.740 0.020 A 20 GLY HAy H 1 3.995 0.020 A 20 GLY C C 13 173.017 0.400 A 20 GLY CA C 13 44.674 0.400 A 20 GLY N N 15 116.142 0.400 A 21 ASP H H 1 8.203 0.020 A 21 ASP HA H 1 4.752 0.020 A 21 ASP HBx H 1 2.440 0.020 A 21 ASP HBy H 1 2.758 0.020 A 21 ASP C C 13 177.944 0.400 A 21 ASP CA C 13 53.650 0.400 A 21 ASP CB C 13 42.186 0.400 A 21 ASP N N 15 120.187 0.400 A 22 ILE H H 1 8.602 0.020 A 22 ILE HA H 1 4.221 0.020 A 22 ILE HB H 1 1.679 0.020 A 22 ILE HD1% H 1 0.854 0.020 A 22 ILE HG1y H 1 1.604 0.020 A 22 ILE HG1x H 1 1.244 0.020 A 22 ILE HG2% H 1 0.831 0.020 A 22 ILE C C 13 176.340 0.400 A 22 ILE CA C 13 62.322 0.400 A 22 ILE CB C 13 38.984 0.400 A 22 ILE CD1 C 13 13.677 0.400 A 22 ILE CG1 C 13 28.049 0.400 A 22 ILE CG2 C 13 17.661 0.400 A 22 ILE N N 15 123.140 0.400 A 23 VAL H H 1 8.887 0.020 A 23 VAL HA H 1 4.222 0.020 A 23 VAL HB H 1 2.078 0.020 A 23 VAL HG1% H 1 0.935 0.020 A 23 VAL HG2% H 1 1.156 0.020 A 23 VAL C C 13 174.758 0.400 A 23 VAL CA C 13 61.872 0.400 A 23 VAL CB C 13 33.691 0.400 A 23 VAL CG1 C 13 21.010 0.400 A 23 VAL CG2 C 13 20.703 0.400 A 23 VAL N N 15 130.475 0.400 A 24 THR H H 1 8.595 0.020 A 24 THR HA H 1 5.030 0.020 A 24 THR HB H 1 3.871 0.020 A 24 THR HG2% H 1 1.070 0.020 A 24 THR C C 13 174.658 0.400 A 24 THR CA C 13 62.107 0.400 A 24 THR CB C 13 69.758 0.400 A 24 THR CG2 C 13 21.239 0.400 A 24 THR N N 15 122.938 0.400 A 25 VAL H H 1 9.100 0.020 A 25 VAL HA H 1 4.777 0.020 A 25 VAL HB H 1 2.353 0.020 A 25 VAL HG1% H 1 0.884 0.020 A 25 VAL HG2% H 1 0.782 0.020 A 25 VAL C C 13 174.239 0.400 A 25 VAL CA C 13 59.477 0.400 A 25 VAL CB C 13 34.747 0.400 A 25 VAL CG1 C 13 22.264 0.400 A 25 VAL CG2 C 13 19.151 0.400 A 25 VAL N N 15 122.384 0.400 A 26 THR H H 1 8.106 0.020 A 26 THR HA H 1 5.259 0.020 A 26 THR HB H 1 3.702 0.020 A 26 THR HG2% H 1 1.004 0.020 A 26 THR C C 13 173.486 0.400 A 26 THR CA C 13 60.210 0.400 A 26 THR CB C 13 72.434 0.400 A 26 THR CG2 C 13 21.225 0.400 A 26 THR N N 15 114.061 0.400 A 27 GLY H H 1 7.581 0.020 A 27 GLY HAx H 1 2.878 0.020 A 27 GLY HAy H 1 3.584 0.020 A 27 GLY C C 13 170.439 0.400 A 27 GLY CA C 13 44.766 0.400 A 27 GLY N N 15 112.813 0.400 A 28 LYS H H 1 8.281 0.020 A 28 LYS HA H 1 4.532 0.020 A 28 LYS HBy H 1 1.718 0.020 A 28 LYS HBx H 1 1.680 0.020 A 28 LYS HDx H 1 1.516 0.020 A 28 LYS HDy H 1 1.622 0.020 A 28 LYS HEx H 1 2.940 0.020 A 28 LYS HEy H 1 2.983 0.020 A 28 LYS HGx H 1 1.426 0.020 A 28 LYS HGy H 1 1.470 0.020 A 28 LYS C C 13 176.655 0.400 A 28 LYS CA C 13 55.496 0.400 A 28 LYS CB C 13 33.042 0.400 A 28 LYS CD C 13 28.567 0.400 A 28 LYS CE C 13 42.135 0.400 A 28 LYS CG C 13 24.736 0.400 A 28 LYS N N 15 119.709 0.400 A 29 THR H H 1 8.250 0.020 A 29 THR HA H 1 3.471 0.020 A 29 THR HB H 1 3.885 0.020 A 29 THR HG2% H 1 1.280 0.020 A 29 THR C C 13 175.361 0.400 A 29 THR CA C 13 65.747 0.400 A 29 THR CB C 13 68.904 0.400 A 29 THR CG2 C 13 22.678 0.400 A 29 THR N N 15 116.527 0.400 A 30 ASP H H 1 8.768 0.020 A 30 ASP HA H 1 4.209 0.020 A 30 ASP HBx H 1 2.883 0.020 A 30 ASP HBy H 1 3.229 0.020 A 30 ASP C C 13 175.181 0.400 A 30 ASP CA C 13 57.877 0.400 A 30 ASP CB C 13 39.488 0.400 A 30 ASP N N 15 119.167 0.400 A 31 ASP H H 1 8.692 0.020 A 31 ASP HA H 1 5.016 0.020 A 31 ASP HBx H 1 2.978 0.020 A 31 ASP HBy H 1 3.057 0.020 A 31 ASP C C 13 174.892 0.400 A 31 ASP CA C 13 53.572 0.400 A 31 ASP CB C 13 42.036 0.400 A 31 ASP N N 15 122.498 0.400 A 32 SER H H 1 8.501 0.020 A 32 SER HA H 1 6.000 0.020 A 32 SER HBx H 1 3.542 0.020 A 32 SER HBy H 1 3.670 0.020 A 32 SER C C 13 174.189 0.400 A 32 SER CA C 13 56.643 0.400 A 32 SER CB C 13 66.978 0.400 A 32 SER N N 15 111.840 0.400 A 33 THR H H 1 8.828 0.020 A 33 THR HA H 1 4.761 0.020 A 33 THR HB H 1 4.194 0.020 A 33 THR HG2% H 1 1.036 0.020 A 33 THR C C 13 171.611 0.400 A 33 THR CA C 13 60.386 0.400 A 33 THR CB C 13 70.552 0.400 A 33 THR CG2 C 13 19.758 0.400 A 33 THR N N 15 116.720 0.400 A 34 THR H H 1 8.177 0.020 A 34 THR HA H 1 4.928 0.020 A 34 THR HB H 1 3.921 0.020 A 34 THR HG2% H 1 1.101 0.020 A 34 THR C C 13 173.064 0.400 A 34 THR CA C 13 61.645 0.400 A 34 THR CB C 13 70.049 0.400 A 34 THR CG2 C 13 21.790 0.400 A 34 THR N N 15 119.545 0.400 A 35 TYR H H 1 9.394 0.020 A 35 TYR HA H 1 4.740 0.020 A 35 TYR HBy H 1 2.809 0.020 A 35 TYR HBx H 1 2.751 0.020 A 35 TYR HD1 H 1 6.882 0.020 A 35 TYR HD2 H 1 6.882 0.020 A 35 TYR HE1 H 1 6.754 0.020 A 35 TYR HE2 H 1 6.754 0.020 A 35 TYR C C 13 173.955 0.400 A 35 TYR CA C 13 56.771 0.400 A 35 TYR CB C 13 41.213 0.400 A 35 TYR CD1 C 13 132.550 0.400 A 35 TYR CD2 C 13 132.550 0.400 A 35 TYR CE1 C 13 118.309 0.400 A 35 TYR CE2 C 13 118.309 0.400 A 35 TYR N N 15 129.153 0.400 A 36 THR H H 1 7.999 0.020 A 36 THR HA H 1 4.226 0.020 A 36 THR HB H 1 3.723 0.020 A 36 THR HG2% H 1 1.046 0.020 A 36 THR C C 13 172.314 0.400 A 36 THR CA C 13 62.598 0.400 A 36 THR CB C 13 68.911 0.400 A 36 THR CG2 C 13 21.396 0.400 A 36 THR N N 15 125.323 0.400 A 37 VAL H H 1 7.862 0.020 A 37 VAL HA H 1 3.561 0.020 A 37 VAL HB H 1 1.878 0.020 A 37 VAL HG1% H 1 0.990 0.020 A 37 VAL HG2% H 1 0.833 0.020 A 37 VAL C C 13 175.830 0.400 A 37 VAL CA C 13 63.660 0.400 A 37 VAL CB C 13 32.271 0.400 A 37 VAL CG1 C 13 21.782 0.400 A 37 VAL CG2 C 13 21.571 0.400 A 37 VAL N N 15 126.938 0.400 A 38 THR H H 1 8.238 0.020 A 38 THR HA H 1 4.412 0.020 A 38 THR HB H 1 3.846 0.020 A 38 THR HG2% H 1 1.000 0.020 A 38 THR C C 13 172.379 0.400 A 38 THR CA C 13 60.416 0.400 A 38 THR CB C 13 70.341 0.400 A 38 THR CG2 C 13 20.613 0.400 A 38 THR N N 15 123.333 0.400 A 39 ILE H H 1 8.819 0.020 A 39 ILE HA H 1 4.285 0.020 A 39 ILE HB H 1 2.088 0.020 A 39 ILE HD1% H 1 0.853 0.020 A 39 ILE HG1y H 1 1.511 0.020 A 39 ILE HG1x H 1 0.853 0.020 A 39 ILE HG2% H 1 0.941 0.020 A 39 ILE C C 13 174.423 0.400 A 39 ILE CA C 13 56.101 0.400 A 39 ILE CB C 13 36.410 0.400 A 39 ILE CD1 C 13 11.176 0.400 A 39 ILE CG1 C 13 26.513 0.400 A 39 ILE CG2 C 13 17.241 0.400 A 39 ILE N N 15 127.522 0.400 A 40 PRO HA H 1 4.372 0.020 A 40 PRO HBx H 1 1.819 0.020 A 40 PRO HBy H 1 2.182 0.020 A 40 PRO HDy H 1 3.741 0.020 A 40 PRO HDx H 1 3.172 0.020 A 40 PRO HGy H 1 1.451 0.020 A 40 PRO HGx H 1 1.348 0.020 A 40 PRO C C 13 175.453 0.400 A 40 PRO CA C 13 62.247 0.400 A 40 PRO CB C 13 31.267 0.400 A 40 PRO CD C 13 50.837 0.400 A 40 PRO CG C 13 26.748 0.400 A 41 ASP H H 1 8.353 0.020 A 41 ASP HA H 1 4.429 0.020 A 41 ASP HBy H 1 2.588 0.020 A 41 ASP HBx H 1 2.543 0.020 A 41 ASP C C 13 177.278 0.400 A 41 ASP CA C 13 56.049 0.400 A 41 ASP CB C 13 40.913 0.400 A 41 ASP N N 15 120.508 0.400 A 42 GLY H H 1 8.718 0.020 A 42 GLY HAx H 1 3.480 0.020 A 42 GLY HAy H 1 4.083 0.020 A 42 GLY C C 13 174.189 0.400 A 42 GLY CA C 13 44.677 0.400 A 42 GLY N N 15 110.942 0.400 A 43 TYR H H 1 7.939 0.020 A 43 TYR HA H 1 5.230 0.020 A 43 TYR HBx H 1 2.899 0.020 A 43 TYR HBy H 1 2.987 0.020 A 43 TYR HD1 H 1 6.771 0.020 A 43 TYR HD2 H 1 6.771 0.020 A 43 TYR HE1 H 1 6.594 0.020 A 43 TYR HE2 H 1 6.594 0.020 A 43 TYR C C 13 173.955 0.400 A 43 TYR CA C 13 57.035 0.400 A 43 TYR CB C 13 41.801 0.400 A 43 TYR CD1 C 13 133.572 0.400 A 43 TYR CD2 C 13 133.572 0.400 A 43 TYR CE1 C 13 117.094 0.400 A 43 TYR CE2 C 13 117.094 0.400 A 43 TYR N N 15 118.582 0.400 A 44 GLU H H 1 9.188 0.020 A 44 GLU HA H 1 4.741 0.020 A 44 GLU HBx H 1 1.676 0.020 A 44 GLU HBy H 1 1.974 0.020 A 44 GLU HGx H 1 2.188 0.020 A 44 GLU HGy H 1 2.188 0.020 A 44 GLU C C 13 175.127 0.400 A 44 GLU CA C 13 54.142 0.400 A 44 GLU CB C 13 33.560 0.400 A 44 GLU CG C 13 35.995 0.400 A 44 GLU N N 15 117.298 0.400 A 45 TYR H H 1 9.045 0.020 A 45 TYR HA H 1 4.353 0.020 A 45 TYR HBx H 1 2.884 0.020 A 45 TYR HBy H 1 3.049 0.020 A 45 TYR HD1 H 1 6.915 0.020 A 45 TYR HD2 H 1 6.915 0.020 A 45 TYR HE1 H 1 6.801 0.020 A 45 TYR HE2 H 1 6.801 0.020 A 45 TYR C C 13 174.798 0.400 A 45 TYR CA C 13 59.394 0.400 A 45 TYR CB C 13 39.377 0.400 A 45 TYR CD1 C 13 132.564 0.400 A 45 TYR CD2 C 13 132.564 0.400 A 45 TYR CE1 C 13 117.995 0.400 A 45 TYR CE2 C 13 117.995 0.400 A 45 TYR N N 15 122.980 0.400 A 46 VAL H H 1 8.392 0.020 A 46 VAL HA H 1 3.903 0.020 A 46 VAL HB H 1 1.529 0.020 A 46 VAL HG1% H 1 0.733 0.020 A 46 VAL HG2% H 1 0.831 0.020 A 46 VAL C C 13 175.289 0.400 A 46 VAL CA C 13 63.625 0.400 A 46 VAL CB C 13 33.494 0.400 A 46 VAL CG1 C 13 20.308 0.400 A 46 VAL CG2 C 13 21.082 0.400 A 46 VAL N N 15 126.864 0.400 A 47 GLY H H 1 6.694 0.020 A 47 GLY HAx H 1 3.800 0.020 A 47 GLY HAy H 1 4.017 0.020 A 47 GLY C C 13 170.477 0.400 A 47 GLY CA C 13 45.862 0.400 A 47 GLY N N 15 105.099 0.400 A 48 THR H H 1 8.513 0.020 A 48 THR HA H 1 5.256 0.020 A 48 THR HB H 1 3.881 0.020 A 48 THR HG1 H 1 5.174 0.020 A 48 THR HG2% H 1 1.119 0.020 A 48 THR C C 13 173.720 0.400 A 48 THR CA C 13 62.528 0.400 A 48 THR CB C 13 72.048 0.400 A 48 THR CG2 C 13 22.703 0.400 A 48 THR N N 15 115.821 0.400 A 49 ASP H H 1 9.824 0.020 A 49 ASP HA H 1 5.012 0.020 A 49 ASP HBx H 1 2.759 0.020 A 49 ASP HBy H 1 2.862 0.020 A 49 ASP C C 13 175.127 0.400 A 49 ASP CA C 13 53.040 0.400 A 49 ASP CB C 13 42.505 0.400 A 49 ASP N N 15 127.541 0.400 A 50 GLY H H 1 8.302 0.020 A 50 GLY HAx H 1 3.743 0.020 A 50 GLY HAy H 1 4.658 0.020 A 50 GLY C C 13 172.833 0.400 A 50 GLY CA C 13 44.140 0.400 A 50 GLY N N 15 113.052 0.400 A 51 GLY H H 1 7.966 0.020 A 51 GLY HAx H 1 3.562 0.020 A 51 GLY HAy H 1 3.852 0.020 A 51 GLY C C 13 173.017 0.400 A 51 GLY CA C 13 45.080 0.400 A 51 GLY N N 15 103.430 0.400 A 52 VAL H H 1 7.751 0.020 A 52 VAL HA H 1 4.369 0.020 A 52 VAL HB H 1 1.848 0.020 A 52 VAL HG1% H 1 0.872 0.020 A 52 VAL HG2% H 1 0.901 0.020 A 52 VAL C C 13 176.064 0.400 A 52 VAL CA C 13 61.977 0.400 A 52 VAL CB C 13 33.963 0.400 A 52 VAL CG1 C 13 20.925 0.400 A 52 VAL CG2 C 13 20.925 0.400 A 52 VAL N N 15 118.517 0.400 A 53 VAL H H 1 8.942 0.020 A 53 VAL HA H 1 4.784 0.020 A 53 VAL HB H 1 2.079 0.020 A 53 VAL HG1% H 1 1.178 0.020 A 53 VAL HG2% H 1 1.203 0.020 A 53 VAL C C 13 175.595 0.400 A 53 VAL CA C 13 61.243 0.400 A 53 VAL CB C 13 32.934 0.400 A 53 VAL CG1 C 13 20.363 0.400 A 53 VAL CG2 C 13 21.909 0.400 A 53 VAL N N 15 131.008 0.400 A 54 SER H H 1 8.725 0.020 A 54 SER HA H 1 4.427 0.020 A 54 SER HBx H 1 3.988 0.020 A 54 SER HBy H 1 4.295 0.020 A 54 SER C C 13 176.799 0.400 A 54 SER CA C 13 58.659 0.400 A 54 SER CB C 13 64.076 0.400 A 54 SER N N 15 122.610 0.400 A 55 SER H H 1 9.128 0.020 A 55 SER HA H 1 4.214 0.020 A 55 SER HBx H 1 3.993 0.020 A 55 SER HBy H 1 3.993 0.020 A 55 SER HG H 1 4.745 0.020 A 55 SER C C 13 174.975 0.400 A 55 SER CA C 13 61.298 0.400 A 55 SER CB C 13 62.568 0.400 A 55 SER N N 15 118.292 0.400 A 56 ASP H H 1 7.897 0.020 A 56 ASP HA H 1 4.564 0.020 A 56 ASP HBx H 1 2.653 0.020 A 56 ASP HBy H 1 3.029 0.020 A 56 ASP C C 13 176.924 0.400 A 56 ASP CA C 13 52.822 0.400 A 56 ASP CB C 13 40.512 0.400 A 56 ASP N N 15 116.748 0.400 A 57 GLY H H 1 7.979 0.020 A 57 GLY HAx H 1 3.432 0.020 A 57 GLY HAy H 1 3.682 0.020 A 57 GLY C C 13 173.457 0.400 A 57 GLY CA C 13 45.239 0.400 A 57 GLY N N 15 109.080 0.400 A 58 LYS H H 1 7.512 0.020 A 58 LYS HA H 1 4.045 0.020 A 58 LYS HBx H 1 1.777 0.020 A 58 LYS HBy H 1 1.777 0.020 A 58 LYS HDx H 1 1.548 0.020 A 58 LYS HDy H 1 1.548 0.020 A 58 LYS HEx H 1 2.909 0.020 A 58 LYS HEy H 1 2.909 0.020 A 58 LYS HGy H 1 1.254 0.020 A 58 LYS HGx H 1 1.163 0.020 A 58 LYS C C 13 177.390 0.400 A 58 LYS CA C 13 57.742 0.400 A 58 LYS CB C 13 33.496 0.400 A 58 LYS CD C 13 28.540 0.400 A 58 LYS CE C 13 42.185 0.400 A 58 LYS CG C 13 25.472 0.400 A 58 LYS N N 15 115.757 0.400 A 59 THR H H 1 8.029 0.020 A 59 THR HA H 1 5.281 0.020 A 59 THR HB H 1 3.924 0.020 A 59 THR HG2% H 1 1.038 0.020 A 59 THR C C 13 172.878 0.400 A 59 THR CA C 13 59.690 0.400 A 59 THR CB C 13 72.560 0.400 A 59 THR CG2 C 13 21.667 0.400 A 59 THR N N 15 109.144 0.400 A 60 VAL H H 1 9.299 0.020 A 60 VAL HA H 1 4.794 0.020 A 60 VAL HB H 1 1.961 0.020 A 60 VAL HG1% H 1 0.903 0.020 A 60 VAL HG2% H 1 0.895 0.020 A 60 VAL C C 13 174.423 0.400 A 60 VAL CA C 13 60.242 0.400 A 60 VAL CB C 13 35.380 0.400 A 60 VAL CG1 C 13 21.107 0.400 A 60 VAL CG2 C 13 21.824 0.400 A 60 VAL N N 15 120.765 0.400 A 61 THR H H 1 9.195 0.020 A 61 THR HA H 1 4.988 0.020 A 61 THR HB H 1 3.952 0.020 A 61 THR HG2% H 1 1.066 0.020 A 61 THR C C 13 174.189 0.400 A 61 THR CA C 13 62.657 0.400 A 61 THR CB C 13 69.371 0.400 A 61 THR CG2 C 13 21.165 0.400 A 61 THR N N 15 125.008 0.400 A 62 ILE H H 1 8.857 0.020 A 62 ILE HA H 1 4.286 0.020 A 62 ILE HB H 1 1.107 0.020 A 62 ILE HD1% H 1 0.459 0.020 A 62 ILE HG1y H 1 1.246 0.020 A 62 ILE HG1x H 1 0.825 0.020 A 62 ILE HG2% H 1 0.013 0.020 A 62 ILE C C 13 174.453 0.400 A 62 ILE CA C 13 59.690 0.400 A 62 ILE CB C 13 41.488 0.400 A 62 ILE CD1 C 13 14.455 0.400 A 62 ILE CG1 C 13 28.015 0.400 A 62 ILE CG2 C 13 15.899 0.400 A 62 ILE N N 15 132.723 0.400 A 63 THR H H 1 8.142 0.020 A 63 THR HA H 1 4.803 0.020 A 63 THR HB H 1 3.739 0.020 A 63 THR HG2% H 1 1.033 0.020 A 63 THR C C 13 174.321 0.400 A 63 THR CA C 13 60.935 0.400 A 63 THR CB C 13 69.765 0.400 A 63 THR CG2 C 13 20.469 0.400 A 63 THR N N 15 123.276 0.400 A 64 PHE H H 1 8.109 0.020 A 64 PHE HA H 1 4.163 0.020 A 64 PHE HBx H 1 2.444 0.020 A 64 PHE HBy H 1 3.048 0.020 A 64 PHE HD1 H 1 6.928 0.020 A 64 PHE HD2 H 1 6.928 0.020 A 64 PHE HE1 H 1 7.038 0.020 A 64 PHE HE2 H 1 7.038 0.020 A 64 PHE HZ H 1 6.874 0.020 A 64 PHE C C 13 176.498 0.400 A 64 PHE CA C 13 61.359 0.400 A 64 PHE CB C 13 39.834 0.400 A 64 PHE CD1 C 13 131.289 0.400 A 64 PHE CD2 C 13 131.289 0.400 A 64 PHE CE1 C 13 130.688 0.400 A 64 PHE CE2 C 13 130.688 0.400 A 64 PHE CZ C 13 129.293 0.400 A 64 PHE N N 15 124.124 0.400 A 65 ALA H H 1 10.002 0.020 A 65 ALA HA H 1 4.739 0.020 A 65 ALA HB% H 1 1.329 0.020 A 65 ALA C C 13 177.002 0.400 A 65 ALA CA C 13 50.316 0.400 A 65 ALA CB C 13 23.580 0.400 A 65 ALA N N 15 125.798 0.400 A 66 ALA H H 1 9.332 0.020 A 66 ALA HA H 1 4.436 0.020 A 66 ALA HB% H 1 1.436 0.020 A 66 ALA C C 13 177.471 0.400 A 66 ALA CA C 13 53.722 0.400 A 66 ALA CB C 13 18.746 0.400 A 66 ALA N N 15 127.219 0.400 A 67 ASP H H 1 7.285 0.020 A 67 ASP HA H 1 4.897 0.020 A 67 ASP HBx H 1 2.735 0.020 A 67 ASP HBy H 1 3.271 0.020 A 67 ASP C C 13 175.361 0.400 A 67 ASP CA C 13 52.029 0.400 A 67 ASP CB C 13 40.193 0.400 A 67 ASP N N 15 117.105 0.400 A 68 ASP H H 1 8.311 0.020 A 68 ASP HA H 1 5.191 0.020 A 68 ASP HBx H 1 2.848 0.020 A 68 ASP HBy H 1 2.932 0.020 A 68 ASP C C 13 177.939 0.400 A 68 ASP CA C 13 54.121 0.400 A 68 ASP CB C 13 40.050 0.400 A 68 ASP N N 15 118.068 0.400 A 69 SER H H 1 8.471 0.020 A 69 SER HA H 1 4.087 0.020 A 69 SER HBx H 1 3.979 0.020 A 69 SER HBy H 1 3.979 0.020 A 69 SER C C 13 173.512 0.400 A 69 SER CA C 13 61.183 0.400 A 69 SER CB C 13 62.356 0.400 A 69 SER N N 15 118.249 0.400 A 70 ASP H H 1 9.168 0.020 A 70 ASP HA H 1 4.504 0.020 A 70 ASP HBx H 1 2.744 0.020 A 70 ASP HBy H 1 2.930 0.020 A 70 ASP C C 13 174.658 0.400 A 70 ASP CA C 13 51.884 0.400 A 70 ASP CB C 13 39.965 0.400 A 70 ASP N N 15 119.988 0.400 A 71 ASN H H 1 7.036 0.020 A 71 ASN HA H 1 4.901 0.020 A 71 ASN HBx H 1 2.735 0.020 A 71 ASN HBy H 1 2.834 0.020 A 71 ASN HD2x H 1 6.793 0.020 A 71 ASN HD2y H 1 7.659 0.020 A 71 ASN C C 13 175.981 0.400 A 71 ASN CA C 13 53.103 0.400 A 71 ASN CB C 13 38.118 0.400 A 71 ASN N N 15 117.940 0.400 A 71 ASN ND2 N 15 110.275 0.400 A 72 VAL H H 1 8.963 0.020 A 72 VAL HA H 1 4.771 0.020 A 72 VAL HB H 1 1.683 0.020 A 72 VAL HG1% H 1 0.664 0.020 A 72 VAL HG2% H 1 0.663 0.020 A 72 VAL C C 13 175.595 0.400 A 72 VAL CA C 13 60.796 0.400 A 72 VAL CB C 13 35.941 0.400 A 72 VAL CG1 C 13 21.957 0.400 A 72 VAL CG2 C 13 21.512 0.400 A 72 VAL N N 15 120.504 0.400 A 73 VAL H H 1 9.021 0.020 A 73 VAL HA H 1 4.823 0.020 A 73 VAL HB H 1 1.942 0.020 A 73 VAL HG1% H 1 0.351 0.020 A 73 VAL HG2% H 1 0.800 0.020 A 73 VAL C C 13 174.423 0.400 A 73 VAL CA C 13 60.776 0.400 A 73 VAL CB C 13 34.740 0.400 A 73 VAL CG1 C 13 21.665 0.400 A 73 VAL CG2 C 13 21.087 0.400 A 73 VAL N N 15 129.432 0.400 A 74 ILE H H 1 9.244 0.020 A 74 ILE HA H 1 4.484 0.020 A 74 ILE HB H 1 1.200 0.020 A 74 ILE HD1% H 1 0.522 0.020 A 74 ILE HG1y H 1 1.026 0.020 A 74 ILE HG1x H 1 0.522 0.020 A 74 ILE HG2% H 1 0.974 0.020 A 74 ILE C C 13 174.658 0.400 A 74 ILE CA C 13 60.229 0.400 A 74 ILE CB C 13 37.706 0.400 A 74 ILE CD1 C 13 13.898 0.400 A 74 ILE CG1 C 13 27.096 0.400 A 74 ILE CG2 C 13 17.140 0.400 A 74 ILE N N 15 128.557 0.400 A 75 HIS H H 1 9.378 0.020 A 75 HIS HA H 1 4.380 0.020 A 75 HIS HBx H 1 2.861 0.020 A 75 HIS HBy H 1 3.443 0.020 A 75 HIS HD2 H 1 6.631 0.020 A 75 HIS HE1 H 1 8.351 0.020 A 75 HIS C C 13 173.486 0.400 A 75 HIS CA C 13 56.180 0.400 A 75 HIS CB C 13 28.644 0.400 A 75 HIS CD2 C 13 118.720 0.400 A 75 HIS CE1 C 13 134.631 0.400 A 75 HIS N N 15 125.387 0.400 A 75 HIS ND1 N 15 184.610 0.400 A 75 HIS NE2 N 15 174.692 0.400 A 76 LEU H H 1 9.018 0.020 A 76 LEU HA H 1 5.526 0.020 A 76 LEU HBx H 1 1.708 0.020 A 76 LEU HBy H 1 1.911 0.020 A 76 LEU HD1% H 1 0.415 0.020 A 76 LEU HD2% H 1 1.131 0.020 A 76 LEU HG H 1 1.959 0.020 A 76 LEU C C 13 174.892 0.400 A 76 LEU CA C 13 52.502 0.400 A 76 LEU CB C 13 46.544 0.400 A 76 LEU CD1 C 13 26.070 0.400 A 76 LEU CD2 C 13 24.308 0.400 A 76 LEU CG C 13 26.353 0.400 A 76 LEU N N 15 122.562 0.400 A 77 LYS H H 1 8.919 0.020 A 77 LYS HA H 1 4.927 0.020 A 77 LYS HBx H 1 1.705 0.020 A 77 LYS HBy H 1 2.196 0.020 A 77 LYS HDx H 1 1.646 0.020 A 77 LYS HDy H 1 1.646 0.020 A 77 LYS HEy H 1 2.981 0.020 A 77 LYS HEx H 1 2.914 0.020 A 77 LYS HGy H 1 1.235 0.020 A 77 LYS HGx H 1 1.132 0.020 A 77 LYS C C 13 175.595 0.400 A 77 LYS CA C 13 54.196 0.400 A 77 LYS CB C 13 34.963 0.400 A 77 LYS CD C 13 29.199 0.400 A 77 LYS CE C 13 41.855 0.400 A 77 LYS CG C 13 23.558 0.400 A 77 LYS N N 15 115.149 0.400 A 78 HIS H H 1 9.622 0.020 A 78 HIS HA H 1 4.427 0.020 A 78 HIS HBx H 1 3.058 0.020 A 78 HIS HBy H 1 3.135 0.020 A 78 HIS HD2 H 1 6.993 0.020 A 78 HIS HE1 H 1 8.309 0.020 A 78 HIS C C 13 175.595 0.400 A 78 HIS CA C 13 55.959 0.400 A 78 HIS CB C 13 28.329 0.400 A 78 HIS CD2 C 13 119.660 0.400 A 78 HIS CE1 C 13 134.764 0.400 A 78 HIS N N 15 120.652 0.400 A 78 HIS ND1 N 15 179.721 0.400 A 78 HIS NE2 N 15 182.289 0.400 A 79 GLY H H 1 8.335 0.020 A 79 GLY HAx H 1 3.656 0.020 A 79 GLY HAy H 1 4.165 0.020 A 79 GLY C C 13 173.286 0.400 A 79 GLY CA C 13 44.526 0.400 A 79 GLY N N 15 110.171 0.400 A 80 LEU H H 1 8.387 0.020 A 80 LEU HA H 1 4.221 0.020 A 80 LEU HBx H 1 1.487 0.020 A 80 LEU HBy H 1 1.550 0.020 A 80 LEU HD1% H 1 0.891 0.020 A 80 LEU HD2% H 1 0.838 0.020 A 80 LEU HG H 1 1.595 0.020 A 80 LEU C C 13 177.531 0.400 A 80 LEU CA C 13 55.478 0.400 A 80 LEU CB C 13 42.489 0.400 A 80 LEU CD1 C 13 24.762 0.400 A 80 LEU CD2 C 13 23.443 0.400 A 80 LEU CG C 13 26.849 0.400 A 80 LEU N N 15 121.920 0.400 A 81 GLU H H 1 8.452 0.020 A 81 GLU HA H 1 4.177 0.020 A 81 GLU HBy H 1 1.909 0.020 A 81 GLU HBx H 1 1.830 0.020 A 81 GLU HGy H 1 2.188 0.020 A 81 GLU HGx H 1 2.099 0.020 A 81 GLU C C 13 176.221 0.400 A 81 GLU CA C 13 56.278 0.400 A 81 GLU CB C 13 29.854 0.400 A 81 GLU CG C 13 36.071 0.400 A 81 GLU N N 15 120.416 0.400 A 82 HIS H H 1 8.315 0.020 A 82 HIS HA H 1 4.431 0.020 A 82 HIS HBx H 1 3.012 0.020 A 82 HIS HBy H 1 3.193 0.020 A 82 HIS C C 13 174.889 0.400 A 82 HIS CA C 13 56.401 0.400 A 82 HIS CB C 13 30.077 0.400 A 82 HIS N N 15 120.031 0.400 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-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 3 GLU H A 2 ASP HBx 1.0 0.0 5.32 2 2 A 4 ASP H A 4 ASP HBx 1.0 0.0 4.35 3 2 A 4 ASP H A 4 ASP HBy 1.0 0.0 4.35 4 3 A 4 ASP H A 3 GLU HBy 1.0 0.0 4.87 5 4 A 4 ASP H A 3 GLU HBx 1.0 0.0 4.87 6 5 A 5 ALA H A 64 PHE HE% 1.0 0.0 5.13 7 6 A 5 ALA H A 4 ASP HA 1.0 0.0 3.70 8 7 A 5 ALA H A 4 ASP HBx 1.0 0.0 4.27 9 7 A 4 ASP HBy A 5 ALA H 1.0 0.0 4.27 10 8 A 5 ALA H A 25 VAL HG2% 1.0 0.0 5.06 11 9 A 6 THR H A 72 VAL H 1.0 0.0 5.35 12 10 A 6 THR H A 71 ASN HA 1.0 0.0 4.29 13 11 A 6 THR H A 5 ALA HA 1.0 0.0 3.53 14 12 A 6 THR H A 5 ALA HB% 1.0 0.0 4.22 15 13 A 6 THR H A 6 THR HG2% 1.0 0.0 4.48 16 14 A 6 THR HA A 7 ILE H 1.0 0.0 3.49 17 15 A 7 ILE H A 24 THR HA 1.0 0.0 4.89 18 16 A 7 ILE H A 6 THR HB 1.0 0.0 4.29 19 17 A 7 ILE H A 23 VAL HB 1.0 0.0 4.86 20 18 A 7 ILE H A 7 ILE HB 1.0 0.0 4.29 21 19 A 6 THR HG2% A 7 ILE H 1.0 0.0 4.60 22 20 A 7 ILE H A 22 ILE HG2% 1.0 0.0 4.79 23 21 A 7 ILE H A 7 ILE HD1% 1.0 0.0 4.83 24 22 A 7 ILE H A 8 THR H 1.0 0.0 5.53 25 23 A 8 THR H A 73 VAL HA 1.0 0.0 4.29 26 24 A 8 THR H A 7 ILE HA 1.0 0.0 3.60 27 25 A 8 THR H A 8 THR HG2% 1.0 0.0 5.31 28 26 A 22 ILE HG2% A 8 THR H 1.0 0.0 6.00 29 27 A 8 THR H A 73 VAL HG2% 1.0 0.0 6.27 30 28 A 8 THR H A 7 ILE HG2% 1.0 0.0 4.43 31 29 A 8 THR HA A 9 TYR H 1.0 0.0 3.68 32 30 A 8 THR HG2% A 9 TYR H 1.0 0.0 4.39 33 31 A 7 ILE HG2% A 9 TYR H 1.0 0.0 5.52 34 32 A 10 VAL H A 11 ASP H 1.0 0.0 4.54 35 33 A 10 VAL H A 9 TYR HA 1.0 0.0 3.58 36 34 A 10 VAL H A 75 HIS HA 1.0 0.0 4.76 37 35 A 10 VAL H A 76 LEU HG 1.0 0.0 5.34 38 36 A 10 VAL H A 10 VAL HG1% 1.0 0.0 4.64 39 37 A 10 VAL H A 10 VAL HG2% 1.0 0.0 3.94 40 38 A 11 ASP H A 10 VAL HA 1.0 0.0 3.57 41 39 A 11 ASP H A 11 ASP HBy 1.0 0.0 4.17 42 40 A 11 ASP H A 11 ASP HBx 1.0 0.0 4.17 43 41 A 11 ASP H A 10 VAL HB 1.0 0.0 4.16 44 42 A 11 ASP H A 17 ALA HB% 1.0 0.0 4.73 45 43 A 11 ASP H A 19 VAL HG2% 1.0 0.0 4.41 46 44 A 11 ASP H A 10 VAL HG2% 1.0 0.0 5.30 47 45 A 12 ASP H A 76 LEU H 1.0 0.0 4.84 48 46 A 12 ASP H A 12 ASP HBx 1.0 0.0 3.89 49 46 A 12 ASP H A 12 ASP HBy 1.0 0.0 3.89 50 47 A 10 VAL HG2% A 12 ASP H 1.0 0.0 5.60 51 48 A 12 ASP H A 13 ASP H 1.0 0.0 4.23 52 49 A 13 ASP H A 77 LYS HA 1.0 0.0 4.91 53 50 A 13 ASP H A 12 ASP HBx 1.0 0.0 4.81 54 50 A 12 ASP HBy A 13 ASP H 1.0 0.0 4.81 55 51 A 13 ASP H A 13 ASP HBy 1.0 0.0 4.38 56 52 A 13 ASP H A 13 ASP HBx 1.0 0.0 4.38 57 53 A 13 ASP H A 14 LYS H 1.0 0.0 3.84 58 54 A 14 LYS H A 12 ASP HA 1.0 0.0 5.52 59 55 A 14 LYS H A 11 ASP HBy 1.0 0.0 5.46 60 56 A 14 LYS H A 11 ASP HBx 1.0 0.0 5.46 61 57 A 14 LYS H A 13 ASP HBy 1.0 0.0 6.11 62 58 A 14 LYS H A 14 LYS HBx 1.0 0.0 4.03 63 59 A 14 LYS H A 15 GLY H 1.0 0.0 4.35 64 60 A 15 GLY H A 14 LYS HBy 1.0 0.0 5.58 65 61 A 14 LYS HBx A 15 GLY H 1.0 0.0 5.57 66 62 A 14 LYS H A 16 GLY H 1.0 0.0 4.70 67 63 A 12 ASP HA A 16 GLY H 1.0 0.0 4.53 68 64 A 10 VAL HB A 16 GLY H 1.0 0.0 5.78 69 65 A 17 ALA HB% A 16 GLY H 1.0 0.0 5.97 70 66 A 11 ASP H A 17 ALA H 1.0 0.0 5.26 71 67 A 17 ALA H A 18 GLN H 1.0 0.0 5.30 72 68 A 16 GLY H A 17 ALA H 1.0 0.0 3.87 73 69 A 14 LYS HBy A 17 ALA H 1.0 0.0 5.01 74 70 A 17 ALA HB% A 17 ALA H 1.0 0.0 3.41 75 71 A 18 GLN HE2x A 22 ILE H 1.0 0.0 5.16 76 72 A 18 GLN H A 17 ALA HA 1.0 0.0 3.34 77 73 A 18 GLN H A 18 GLN HBy 1.0 0.0 3.82 78 74 A 18 GLN H A 18 GLN HBx 1.0 0.0 3.82 79 75 A 17 ALA HB% A 18 GLN H 1.0 0.0 3.94 80 76 A 10 VAL HA A 19 VAL H 1.0 0.0 4.67 81 77 A 19 VAL H A 18 GLN HA 1.0 0.0 3.65 82 78 A 19 VAL H A 18 GLN HGy 1.0 0.0 5.20 83 79 A 19 VAL H A 18 GLN HGx 1.0 0.0 5.20 84 80 A 19 VAL H A 19 VAL HB 1.0 0.0 4.25 85 81 A 19 VAL HG2% A 19 VAL H 1.0 0.0 4.32 86 82 A 19 VAL H A 19 VAL HG1% 1.0 0.0 5.40 87 83 A 19 VAL HA A 20 GLY H 1.0 0.0 3.48 88 84 A 19 VAL HG2% A 20 GLY H 1.0 0.0 5.47 89 85 A 19 VAL HG1% A 20 GLY H 1.0 0.0 4.53 90 86 A 23 VAL HA A 24 THR H 1.0 0.0 3.33 91 87 A 24 THR H A 24 THR HB 1.0 0.0 4.03 92 88 A 22 ILE H A 22 ILE HB 1.0 0.0 3.61 93 89 A 22 ILE H A 22 ILE HG1x 1.0 0.0 4.78 94 90 A 24 THR H A 24 THR HG2% 1.0 0.0 4.67 95 91 A 22 ILE H A 22 ILE HD1% 1.0 0.0 4.68 96 92 A 7 ILE H A 23 VAL H 1.0 0.0 4.54 97 93 A 23 VAL H A 22 ILE HA 1.0 0.0 3.59 98 94 A 23 VAL HB A 23 VAL H 1.0 0.0 4.17 99 95 A 22 ILE HB A 23 VAL H 1.0 0.0 4.99 100 96 A 7 ILE HB A 23 VAL H 1.0 0.0 5.11 101 97 A 23 VAL H A 23 VAL HG2% 1.0 0.0 4.17 102 98 A 22 ILE HG2% A 23 VAL H 1.0 0.0 4.23 103 99 A 6 THR HA A 25 VAL H 1.0 0.0 5.22 104 100 A 24 THR HA A 25 VAL H 1.0 0.0 3.53 105 101 A 24 THR HG2% A 25 VAL H 1.0 0.0 4.12 106 102 A 25 VAL HG2% A 25 VAL H 1.0 0.0 4.03 107 103 A 25 VAL HB A 26 THR H 1.0 0.0 3.99 108 104 A 26 THR H A 26 THR HG2% 1.0 0.0 4.61 109 105 A 26 THR H A 25 VAL HG1% 1.0 0.0 4.74 110 106 A 29 THR H A 29 THR HG2% 1.0 0.0 5.49 111 107 A 29 THR HA A 30 ASP H 1.0 0.0 3.69 112 108 A 29 THR HG2% A 30 ASP H 1.0 0.0 4.41 113 109 A 30 ASP H A 63 THR HG2% 1.0 0.0 5.29 114 110 A 31 ASP H A 64 PHE HD% 1.0 0.0 5.24 115 111 A 53 VAL HA A 54 SER H 1.0 0.0 3.44 116 112 A 31 ASP HA A 32 SER H 1.0 0.0 3.49 117 113 A 32 SER H A 31 ASP HBx 1.0 0.0 4.67 118 114 A 63 THR HG2% A 32 SER H 1.0 0.0 5.48 119 115 A 64 PHE HE% A 33 THR H 1.0 0.0 5.73 120 116 A 33 THR H A 32 SER HA 1.0 0.0 3.54 121 117 A 33 THR H A 34 THR HA 1.0 0.0 5.43 122 118 A 33 THR H A 32 SER HBy 1.0 0.0 4.62 123 119 A 33 THR H A 32 SER HBx 1.0 0.0 4.62 124 120 A 33 THR H A 33 THR HG2% 1.0 0.0 3.92 125 121 A 33 THR H A 62 ILE HG2% 1.0 0.0 5.65 126 122 A 33 THR HB A 34 THR H 1.0 0.0 5.41 127 123 A 34 THR H A 34 THR HB 1.0 0.0 4.05 128 124 A 33 THR HG2% A 34 THR H 1.0 0.0 4.40 129 125 A 34 THR HA A 35 TYR H 1.0 0.0 3.53 130 126 A 34 THR HB A 35 TYR H 1.0 0.0 4.97 131 127 A 35 TYR H A 34 THR HG2% 1.0 0.0 4.41 132 128 A 35 TYR H A 60 VAL HG1% 1.0 0.0 6.83 133 129 A 35 TYR H A 60 VAL HG2% 1.0 0.0 6.83 134 130 A 35 TYR HA A 36 THR H 1.0 0.0 3.42 135 131 A 36 THR H A 36 THR HB 1.0 0.0 3.83 136 132 A 36 THR H A 35 TYR HBy 1.0 0.0 5.87 137 133 A 36 THR H A 35 TYR HBx 1.0 0.0 5.87 138 134 A 36 THR H A 36 THR HG2% 1.0 0.0 4.73 139 135 A 37 VAL H A 59 THR HA 1.0 0.0 4.42 140 136 A 37 VAL H A 36 THR HA 1.0 0.0 3.42 141 137 A 37 VAL H A 58 LYS HA 1.0 0.0 5.04 142 138 A 36 THR HB A 37 VAL H 1.0 0.0 5.30 143 139 A 37 VAL H A 37 VAL HB 1.0 0.0 3.76 144 140 A 36 THR HG2% A 37 VAL H 1.0 0.0 4.35 145 141 A 37 VAL H A 59 THR HG2% 1.0 0.0 4.98 146 142 A 37 VAL H A 37 VAL HG2% 1.0 0.0 3.89 147 143 A 37 VAL HA A 38 THR H 1.0 0.0 3.54 148 144 A 37 VAL HB A 38 THR H 1.0 0.0 5.39 149 145 A 38 THR H A 37 VAL HG1% 1.0 0.0 4.13 150 146 A 37 VAL HG2% A 38 THR H 1.0 0.0 5.33 151 147 A 38 THR H A 39 ILE HD1% 1.0 0.0 5.83 152 148 A 38 THR HA A 39 ILE H 1.0 0.0 3.40 153 149 A 39 ILE H A 38 THR HB 1.0 0.0 5.50 154 150 A 39 ILE H A 39 ILE HB 1.0 0.0 3.76 155 151 A 39 ILE H A 39 ILE HG1y 1.0 0.0 3.91 156 152 A 39 ILE H A 38 THR HG2% 1.0 0.0 4.51 157 153 A 40 PRO HA A 41 ASP H 1.0 0.0 3.23 158 154 A 41 ASP H A 41 ASP HBy 1.0 0.0 4.18 159 155 A 41 ASP H A 40 PRO HBy 1.0 0.0 4.78 160 156 A 41 ASP H A 40 PRO HBx 1.0 0.0 4.78 161 157 A 42 GLY H A 43 TYR H 1.0 0.0 4.16 162 158 A 42 GLY H A 41 ASP HA 1.0 0.0 3.50 163 159 A 41 ASP HBy A 42 GLY H 1.0 0.0 5.65 164 160 A 42 GLY H A 41 ASP HBx 1.0 0.0 5.65 165 161 A 43 TYR H A 41 ASP HA 1.0 0.0 4.86 166 162 A 43 TYR H A 43 TYR HBx 1.0 0.0 3.99 167 163 A 43 TYR H A 39 ILE HG2% 1.0 0.0 5.06 168 164 A 43 TYR HD% A 44 GLU H 1.0 0.0 4.89 169 165 A 44 GLU H A 43 TYR HBy 1.0 0.0 4.12 170 166 A 44 GLU H A 44 GLU HGx 1.0 0.0 4.86 171 166 A 44 GLU H A 44 GLU HGy 1.0 0.0 4.86 172 167 A 44 GLU HA A 45 TYR H 1.0 0.0 3.49 173 168 A 75 HIS HA A 76 LEU H 1.0 0.0 3.43 174 169 A 45 TYR H A 45 TYR HBy 1.0 0.0 3.87 175 170 A 45 TYR H A 45 TYR HBx 1.0 0.0 3.87 176 171 A 45 TYR H A 44 GLU HGx 1.0 0.0 5.27 177 171 A 44 GLU HGy A 45 TYR H 1.0 0.0 5.27 178 172 A 76 LEU HG A 76 LEU H 1.0 0.0 4.16 179 173 A 45 TYR H A 76 LEU HD2% 1.0 0.0 5.50 180 174 A 39 ILE HD1% A 45 TYR H 1.0 0.0 5.11 181 175 A 46 VAL H A 76 LEU HA 1.0 0.0 4.67 182 176 A 46 VAL H A 45 TYR HA 1.0 0.0 3.71 183 177 A 46 VAL H A 46 VAL HB 1.0 0.0 4.24 184 178 A 76 LEU HD2% A 46 VAL H 1.0 0.0 4.96 185 179 A 46 VAL H A 46 VAL HG2% 1.0 0.0 4.26 186 180 A 47 GLY H A 75 HIS H 1.0 0.0 4.51 187 181 A 46 VAL H A 47 GLY H 1.0 0.0 3.73 188 182 A 45 TYR HA A 47 GLY H 1.0 0.0 5.00 189 183 A 47 GLY H A 75 HIS HBy 1.0 0.0 4.96 190 184 A 47 GLY H A 75 HIS HBx 1.0 0.0 4.96 191 185 A 46 VAL HB A 47 GLY H 1.0 0.0 4.01 192 186 A 47 GLY H A 46 VAL HG1% 1.0 0.0 4.81 193 187 A 48 THR H A 48 THR HG2% 1.0 0.0 4.97 194 188 A 48 THR HA A 49 ASP H 1.0 0.0 3.59 195 189 A 49 ASP H A 74 ILE HA 1.0 0.0 5.26 196 190 A 49 ASP H A 73 VAL HB 1.0 0.0 5.07 197 191 A 48 THR HG2% A 49 ASP H 1.0 0.0 4.35 198 192 A 50 GLY H A 51 GLY H 1.0 0.0 5.29 199 193 A 50 GLY H A 49 ASP HA 1.0 0.0 3.41 200 194 A 51 GLY H A 52 VAL HG2% 1.0 0.0 6.03 201 195 A 51 GLY H A 72 VAL HG1% 1.0 0.0 5.47 202 196 A 52 VAL H A 61 THR H 1.0 0.0 4.38 203 197 A 52 VAL H A 52 VAL HB 1.0 0.0 4.16 204 198 A 52 VAL HG2% A 52 VAL H 1.0 0.0 3.82 205 199 A 52 VAL HA A 53 VAL H 1.0 0.0 3.37 206 200 A 53 VAL H A 53 VAL HB 1.0 0.0 3.95 207 201 A 53 VAL H A 53 VAL HG1% 1.0 0.0 4.34 208 202 A 53 VAL H A 52 VAL HG1% 1.0 0.0 4.19 209 203 A 54 SER H A 57 GLY H 1.0 0.0 5.11 210 204 A 54 SER H A 53 VAL HG1% 1.0 0.0 4.26 211 205 A 54 SER H A 53 VAL HG2% 1.0 0.0 4.53 212 206 A 54 SER H A 52 VAL HG1% 1.0 0.0 5.45 213 207 A 56 ASP H A 55 SER HBx 1.0 0.0 5.02 214 207 A 55 SER HBy A 56 ASP H 1.0 0.0 5.02 215 208 A 57 GLY H A 55 SER HA 1.0 0.0 5.62 216 209 A 57 GLY H A 55 SER HBx 1.0 0.0 5.62 217 209 A 57 GLY H A 55 SER HBy 1.0 0.0 5.62 218 210 A 58 LYS HA A 57 GLY H 1.0 0.0 6.29 219 211 A 53 VAL HG1% A 57 GLY H 1.0 0.0 5.52 220 212 A 57 GLY H A 53 VAL HG2% 1.0 0.0 5.93 221 213 A 57 GLY H A 58 LYS H 1.0 0.0 4.21 222 214 A 58 LYS H A 58 LYS HBx 1.0 0.0 3.76 223 214 A 58 LYS H A 58 LYS HBy 1.0 0.0 3.76 224 215 A 58 LYS H A 58 LYS HDx 1.0 0.0 5.38 225 215 A 58 LYS H A 58 LYS HDy 1.0 0.0 5.38 226 216 A 54 SER H A 59 THR H 1.0 0.0 5.01 227 217 A 58 LYS H A 59 THR H 1.0 0.0 3.90 228 218 A 59 THR H A 58 LYS HBx 1.0 0.0 4.48 229 218 A 58 LYS HBy A 59 THR H 1.0 0.0 4.48 230 219 A 53 VAL HG2% A 59 THR H 1.0 0.0 5.84 231 220 A 59 THR HG2% A 59 THR H 1.0 0.0 4.64 232 221 A 37 VAL HG2% A 59 THR H 1.0 0.0 5.67 233 222 A 35 TYR HD% A 60 VAL H 1.0 0.0 5.79 234 223 A 59 THR HA A 60 VAL H 1.0 0.0 3.58 235 224 A 36 THR HA A 60 VAL H 1.0 0.0 5.37 236 225 A 60 VAL H A 59 THR HB 1.0 0.0 4.21 237 226 A 59 THR HG2% A 60 VAL H 1.0 0.0 4.44 238 227 A 60 VAL H A 60 VAL HG1% 1.0 0.0 4.70 239 228 A 61 THR H A 60 VAL HA 1.0 0.0 3.44 240 229 A 61 THR H A 61 THR HB 1.0 0.0 4.02 241 230 A 61 THR H A 52 VAL HB 1.0 0.0 4.99 242 231 A 61 THR H A 61 THR HG2% 1.0 0.0 4.97 243 232 A 61 THR H A 60 VAL HG2% 1.0 0.0 5.00 244 233 A 61 THR HA A 62 ILE H 1.0 0.0 3.53 245 234 A 62 ILE H A 62 ILE HB 1.0 0.0 3.95 246 235 A 62 ILE H A 62 ILE HG1x 1.0 0.0 5.55 247 236 A 62 ILE H A 62 ILE HD1% 1.0 0.0 5.42 248 237 A 62 ILE HA A 63 THR H 1.0 0.0 3.43 249 238 A 63 THR H A 63 THR HB 1.0 0.0 4.09 250 239 A 5 ALA HB% A 63 THR H 1.0 0.0 5.59 251 240 A 62 ILE HG2% A 63 THR H 1.0 0.0 4.32 252 241 A 64 PHE HD% A 65 ALA H 1.0 0.0 5.63 253 242 A 65 ALA H A 64 PHE HA 1.0 0.0 3.62 254 243 A 65 ALA H A 70 ASP HBy 1.0 0.0 5.32 255 244 A 65 ALA H A 70 ASP HBx 1.0 0.0 5.32 256 245 A 65 ALA H A 64 PHE HBy 1.0 0.0 5.15 257 246 A 65 ALA H A 65 ALA HB% 1.0 0.0 4.20 258 247 A 65 ALA HA A 66 ALA H 1.0 0.0 3.74 259 248 A 66 ALA H A 66 ALA HB% 1.0 0.0 3.99 260 249 A 66 ALA H A 67 ASP H 1.0 0.0 4.38 261 250 A 67 ASP H A 68 ASP H 1.0 0.0 5.42 262 251 A 65 ALA HB% A 67 ASP H 1.0 0.0 3.92 263 252 A 68 ASP H A 69 SER H 1.0 0.0 4.88 264 253 A 68 ASP H A 67 ASP HBy 1.0 0.0 4.45 265 254 A 68 ASP H A 67 ASP HBx 1.0 0.0 4.45 266 255 A 69 SER H A 70 ASP H 1.0 0.0 4.36 267 256 A 69 SER H A 69 SER HBx 1.0 0.0 4.37 268 256 A 69 SER H A 69 SER HBy 1.0 0.0 4.37 269 257 A 65 ALA HB% A 69 SER H 1.0 0.0 5.06 270 258 A 65 ALA HB% A 70 ASP H 1.0 0.0 4.57 271 259 A 70 ASP H A 71 ASN H 1.0 0.0 3.65 272 260 A 71 ASN H A 68 ASP HA 1.0 0.0 5.34 273 261 A 71 ASN H A 69 SER HA 1.0 0.0 5.67 274 262 A 5 ALA HB% A 71 ASN H 1.0 0.0 5.61 275 263 A 72 VAL H A 71 ASN H 1.0 0.0 5.58 276 264 A 72 VAL H A 71 ASN HA 1.0 0.0 3.65 277 265 A 72 VAL H A 7 ILE HA 1.0 0.0 4.60 278 266 A 72 VAL H A 72 VAL HB 1.0 0.0 4.09 279 267 A 72 VAL H A 5 ALA HB% 1.0 0.0 5.65 280 268 A 49 ASP H A 73 VAL H 1.0 0.0 4.63 281 269 A 73 VAL H A 49 ASP HBx 1.0 0.0 5.30 282 270 A 73 VAL HB A 73 VAL H 1.0 0.0 4.30 283 271 A 48 THR HG2% A 73 VAL H 1.0 0.0 5.50 284 272 A 73 VAL HG2% A 73 VAL H 1.0 0.0 4.67 285 273 A 72 VAL HG1% A 73 VAL H 1.0 0.0 4.16 286 274 A 73 VAL H A 73 VAL HG1% 1.0 0.0 5.41 287 275 A 9 TYR HA A 74 ILE H 1.0 0.0 4.36 288 276 A 73 VAL HA A 74 ILE H 1.0 0.0 3.51 289 277 A 73 VAL HB A 74 ILE H 1.0 0.0 5.60 290 278 A 74 ILE H A 74 ILE HB 1.0 0.0 4.19 291 279 A 73 VAL HG2% A 74 ILE H 1.0 0.0 4.91 292 280 A 72 VAL HG1% A 74 ILE H 1.0 0.0 5.61 293 281 A 74 ILE H A 74 ILE HD1% 1.0 0.0 5.71 294 282 A 73 VAL HG1% A 74 ILE H 1.0 0.0 4.45 295 283 A 75 HIS H A 48 THR HA 1.0 0.0 4.81 296 284 A 46 VAL HB A 75 HIS H 1.0 0.0 5.66 297 285 A 75 HIS H A 74 ILE HG2% 1.0 0.0 4.40 298 286 A 10 VAL HG2% A 75 HIS H 1.0 0.0 5.82 299 287 A 75 HIS H A 73 VAL HG1% 1.0 0.0 6.39 300 288 A 10 VAL HG2% A 76 LEU H 1.0 0.0 4.68 301 289 A 44 GLU H A 77 LYS H 1.0 0.0 4.11 302 290 A 76 LEU HA A 77 LYS H 1.0 0.0 3.59 303 291 A 43 TYR HBy A 77 LYS H 1.0 0.0 5.42 304 292 A 77 LYS H A 76 LEU HBy 1.0 0.0 4.76 305 293 A 77 LYS H A 76 LEU HBx 1.0 0.0 5.27 306 294 A 76 LEU HD2% A 77 LYS H 1.0 0.0 4.83 307 295 A 77 LYS H A 77 LYS HGx 1.0 0.0 5.04 308 296 A 46 VAL HG2% A 77 LYS H 1.0 0.0 4.44 309 297 A 77 LYS HA A 78 HIS H 1.0 0.0 3.73 310 298 A 78 HIS H A 77 LYS HBy 1.0 0.0 4.42 311 299 A 78 HIS H A 77 LYS HBx 1.0 0.0 4.42 312 300 A 43 TYR HA A 79 GLY H 1.0 0.0 4.00 313 301 A 79 GLY H A 78 HIS HA 1.0 0.0 3.59 314 302 A 80 LEU H A 44 GLU HGx 1.0 0.0 5.65 315 302 A 44 GLU HGy A 80 LEU H 1.0 0.0 5.65 316 303 A 80 LEU H A 80 LEU HD1% 1.0 0.0 6.27 317 304 A 80 LEU H A 80 LEU HD2% 1.0 0.0 6.27 318 305 A 81 GLU H A 81 GLU HGy 1.0 0.0 5.71 319 306 A 81 GLU H A 81 GLU HGx 1.0 0.0 5.71 320 307 A 81 GLU H A 80 LEU HD1% 1.0 0.0 6.64 321 308 A 81 GLU H A 80 LEU HD2% 1.0 0.0 6.64 322 309 A 5 ALA H A 24 THR HG2% 1.0 0.0 4.80 323 310 A 5 ALA H A 26 THR HA 1.0 0.0 5.60 324 311 A 5 ALA H A 64 PHE HD% 1.0 0.0 5.74 325 312 A 5 ALA H A 6 THR H 1.0 0.0 6.14 326 313 A 6 THR H A 7 ILE H 1.0 0.0 6.54 327 314 A 7 ILE H A 7 ILE HG1x 1.0 0.0 5.73 328 315 A 7 ILE H A 7 ILE HG2% 1.0 0.0 5.75 329 316 A 10 VAL H A 74 ILE H 1.0 0.0 5.20 330 317 A 11 ASP H A 10 VAL HG1% 1.0 0.0 5.00 331 318 A 11 ASP H A 18 GLN HA 1.0 0.0 5.67 332 319 A 22 ILE H A 21 ASP H 1.0 0.0 5.35 333 320 A 20 GLY H A 21 ASP H 1.0 0.0 5.47 334 321 A 22 ILE H A 18 GLN HE2y 1.0 0.0 5.16 335 322 A 25 VAL H A 25 VAL HG1% 1.0 0.0 4.78 336 323 A 27 GLY H A 2 ASP HBx 1.0 0.0 5.84 337 324 A 27 GLY H A 26 THR HB 1.0 0.0 5.33 338 325 A 3 GLU H A 27 GLY H 1.0 0.0 5.05 339 326 A 28 LYS H A 31 ASP HBy 1.0 0.0 5.68 340 327 A 28 LYS H A 64 PHE HBx 1.0 0.0 5.28 341 328 A 29 THR H A 30 ASP H 1.0 0.0 5.57 342 329 A 31 ASP H A 64 PHE H 1.0 0.0 5.66 343 330 A 54 SER H A 53 VAL HB 1.0 0.0 5.55 344 331 A 38 THR H A 39 ILE H 1.0 0.0 5.57 345 332 A 41 ASP H A 43 TYR H 1.0 0.0 5.91 346 333 A 43 TYR H A 79 GLY H 1.0 0.0 6.62 347 334 A 44 GLU H A 76 LEU HD2% 1.0 0.0 5.49 348 335 A 44 GLU H A 78 HIS HA 1.0 0.0 5.45 349 336 A 44 GLU H A 76 LEU HA 1.0 0.0 5.21 350 337 A 45 TYR H A 44 GLU HBx 1.0 0.0 5.43 351 338 A 46 VAL HG2% A 47 GLY H 1.0 0.0 4.82 352 339 A 39 ILE HG2% A 45 TYR H 1.0 0.0 5.00 353 340 A 49 ASP H A 48 THR HB 1.0 0.0 5.85 354 341 A 59 THR H A 60 VAL H 1.0 0.0 5.74 355 342 A 63 THR HG2% A 63 THR H 1.0 0.0 4.97 356 343 A 65 ALA HB% A 66 ALA H 1.0 0.0 4.39 357 344 A 66 ALA HB% A 67 ASP H 1.0 0.0 4.34 358 345 A 67 ASP H A 69 SER H 1.0 0.0 5.88 359 346 A 8 THR H A 74 ILE H 1.0 0.0 5.46 360 347 A 75 HIS H A 48 THR HG2% 1.0 0.0 5.48 361 348 A 77 LYS H A 77 LYS HGy 1.0 0.0 5.04 362 349 A 43 TYR HD% A 77 LYS H 1.0 0.0 5.54 363 350 A 79 GLY H A 44 GLU HGx 1.0 0.0 5.47 364 350 A 44 GLU HGy A 79 GLY H 1.0 0.0 5.47 365 351 A 44 GLU H A 79 GLY H 1.0 0.0 5.35 366 352 A 78 HIS H A 79 GLY H 1.0 0.0 5.46 367 353 A 23 VAL HB A 7 ILE HG2% 1.0 0.0 5.59 368 354 A 3 GLU H A 2 ASP HBy 1.0 0.0 5.32 369 355 A 27 GLY H A 2 ASP HBy 1.0 0.0 5.84 370 356 A 19 VAL HB A 9 TYR HBy 1.0 0.0 5.21 371 357 A 73 VAL HB A 49 ASP HBx 1.0 0.0 4.58 372 358 A 4 ASP HA A 24 THR HG2% 1.0 0.0 5.02 373 359 A 26 THR HG2% A 4 ASP HBx 1.0 0.0 5.30 374 359 A 4 ASP HBy A 26 THR HG2% 1.0 0.0 5.30 375 360 A 64 PHE HE% A 5 ALA HB% 1.0 0.0 4.63 376 361 A 71 ASN HA A 5 ALA HB% 1.0 0.0 4.90 377 362 A 6 THR HA A 24 THR HA 1.0 0.0 4.55 378 363 A 6 THR HG2% A 6 THR HA 1.0 0.0 4.25 379 364 A 24 THR HA A 24 THR HG2% 1.0 0.0 4.11 380 365 A 61 THR HG2% A 61 THR HA 1.0 0.0 4.25 381 366 A 36 THR HG2% A 36 THR HA 1.0 0.0 4.01 382 367 A 36 THR HA A 59 THR HG2% 1.0 0.0 4.37 383 368 A 23 VAL HB A 7 ILE HB 1.0 0.0 4.15 384 369 A 7 ILE HD1% A 35 TYR HBy 1.0 0.0 6.12 385 370 A 7 ILE HD1% A 35 TYR HBx 1.0 0.0 6.12 386 371 A 23 VAL HB A 7 ILE HD1% 1.0 0.0 4.68 387 372 A 7 ILE HB A 7 ILE HD1% 1.0 0.0 4.17 388 373 A 5 ALA HB% A 62 ILE HG2% 1.0 0.0 3.81 389 374 A 7 ILE HA A 7 ILE HG2% 1.0 0.0 4.37 390 375 A 19 VAL HG1% A 19 VAL HA 1.0 0.0 4.20 391 376 A 7 ILE HG2% A 72 VAL HB 1.0 0.0 4.67 392 377 A 7 ILE HD1% A 7 ILE HG2% 1.0 0.0 4.29 393 378 A 72 VAL HB A 7 ILE HG1x 1.0 0.0 5.12 394 379 A 7 ILE H A 7 ILE HG1y 1.0 0.0 5.73 395 380 A 73 VAL HA A 8 THR HB 1.0 0.0 4.77 396 381 A 7 ILE HG2% A 8 THR HB 1.0 0.0 6.00 397 382 A 73 VAL HG1% A 8 THR HB 1.0 0.0 6.25 398 383 A 8 THR HG2% A 8 THR HA 1.0 0.0 4.33 399 384 A 8 THR HG2% A 10 VAL HG1% 1.0 0.0 3.80 400 385 A 19 VAL HB A 9 TYR HBx 1.0 0.0 5.21 401 386 A 10 VAL HG1% A 10 VAL HA 1.0 0.0 4.15 402 387 A 10 VAL HG1% A 18 GLN HA 1.0 0.0 4.63 403 388 A 9 TYR HA A 10 VAL HG2% 1.0 0.0 5.49 404 389 A 75 HIS HA A 10 VAL HG2% 1.0 0.0 4.30 405 390 A 10 VAL HG2% A 16 GLY HAx 1.0 0.0 5.73 406 391 A 19 VAL HG2% A 11 ASP HBx 1.0 0.0 4.79 407 392 A 14 LYS H A 14 LYS HGy 1.0 0.0 5.78 408 393 A 14 LYS HBx A 14 LYS HEx 1.0 0.0 4.71 409 393 A 14 LYS HBx A 14 LYS HEy 1.0 0.0 4.71 410 394 A 14 LYS H A 14 LYS HGx 1.0 0.0 5.78 411 395 A 14 LYS HBy A 14 LYS HEx 1.0 0.0 5.91 412 395 A 14 LYS HBy A 14 LYS HEy 1.0 0.0 5.91 413 396 A 14 LYS HBy A 14 LYS HDx 1.0 0.0 4.40 414 396 A 14 LYS HBy A 14 LYS HDy 1.0 0.0 4.40 415 397 A 14 LYS HBx A 16 GLY H 1.0 0.0 5.89 416 398 A 14 LYS HBx A 11 ASP HBy 1.0 0.0 5.93 417 399 A 10 VAL HB A 16 GLY HAy 1.0 0.0 4.92 418 400 A 10 VAL HB A 16 GLY HAx 1.0 0.0 4.92 419 401 A 17 ALA HB% A 14 LYS HBy 1.0 0.0 4.22 420 402 A 72 VAL H A 72 VAL HG2% 1.0 0.0 4.00 421 403 A 10 VAL HA A 19 VAL HG2% 1.0 0.0 4.62 422 404 A 19 VAL HG2% A 19 VAL HA 1.0 0.0 4.38 423 405 A 6 THR HG2% A 22 ILE HB 1.0 0.0 5.61 424 406 A 22 ILE HD1% A 22 ILE HA 1.0 0.0 5.35 425 407 A 22 ILE HG2% A 22 ILE H 1.0 0.0 5.19 426 408 A 22 ILE HG2% A 24 THR H 1.0 0.0 5.96 427 409 A 6 THR HA A 22 ILE HG2% 1.0 0.0 5.48 428 410 A 22 ILE HG2% A 7 ILE HA 1.0 0.0 5.85 429 411 A 22 ILE HG2% A 8 THR HA 1.0 0.0 6.06 430 412 A 22 ILE HG2% A 22 ILE HA 1.0 0.0 4.16 431 413 A 6 THR HB A 22 ILE HG2% 1.0 0.0 4.08 432 414 A 62 ILE H A 62 ILE HG1y 1.0 0.0 5.55 433 415 A 72 VAL HG2% A 62 ILE HG1y 1.0 0.0 4.80 434 416 A 22 ILE H A 22 ILE HG1y 1.0 0.0 4.78 435 417 A 2 ASP HA A 28 LYS HDy 1.0 0.0 6.03 436 418 A 24 THR H A 23 VAL HG1% 1.0 0.0 4.42 437 419 A 23 VAL HA A 23 VAL HG1% 1.0 0.0 4.09 438 420 A 7 ILE HD1% A 23 VAL HG1% 1.0 0.0 4.28 439 421 A 23 VAL HG2% A 9 TYR HE% 1.0 0.0 5.07 440 422 A 53 VAL HA A 53 VAL HG1% 1.0 0.0 4.29 441 423 A 23 VAL HA A 23 VAL HG2% 1.0 0.0 4.00 442 424 A 24 THR HB A 25 VAL HA 1.0 0.0 4.61 443 425 A 24 THR HG2% A 4 ASP HBx 1.0 0.0 4.11 444 425 A 4 ASP HBy A 24 THR HG2% 1.0 0.0 4.11 445 426 A 25 VAL HG1% A 35 TYR HD% 1.0 0.0 5.38 446 427 A 25 VAL HG1% A 25 VAL HA 1.0 0.0 3.98 447 428 A 7 ILE HD1% A 25 VAL HG1% 1.0 0.0 4.43 448 429 A 25 VAL HG2% A 26 THR H 1.0 0.0 5.07 449 430 A 64 PHE HE% A 25 VAL HG2% 1.0 0.0 4.03 450 431 A 25 VAL HG2% A 64 PHE HD% 1.0 0.0 4.50 451 432 A 25 VAL HG2% A 24 THR HA 1.0 0.0 5.45 452 433 A 25 VAL HG2% A 5 ALA HB% 1.0 0.0 3.87 453 434 A 25 VAL HG2% A 62 ILE HD1% 1.0 0.0 4.24 454 435 A 25 VAL HG2% A 7 ILE HD1% 1.0 0.0 4.33 455 436 A 64 PHE HE% A 25 VAL HB 1.0 0.0 5.76 456 437 A 25 VAL HB A 33 THR HG2% 1.0 0.0 5.13 457 438 A 4 ASP HA A 26 THR HA 1.0 0.0 4.35 458 439 A 59 THR HA A 59 THR HG2% 1.0 0.0 4.07 459 440 A 37 VAL HG1% A 39 ILE HG1y 1.0 0.0 4.27 460 441 A 28 LYS H A 28 LYS HGx 1.0 0.0 5.61 461 442 A 29 THR H A 28 LYS HGx 1.0 0.0 5.92 462 443 A 2 ASP HA A 28 LYS HDx 1.0 0.0 6.03 463 444 A 29 THR HA A 28 LYS H 1.0 0.0 5.31 464 445 A 29 THR HA A 64 PHE HBy 1.0 0.0 5.38 465 446 A 29 THR HG2% A 66 ALA H 1.0 0.0 5.34 466 447 A 29 THR HG2% A 65 ALA HA 1.0 0.0 4.34 467 448 A 29 THR HG2% A 29 THR HA 1.0 0.0 4.20 468 449 A 32 SER H A 31 ASP HBy 1.0 0.0 4.67 469 450 A 32 SER HA A 64 PHE H 1.0 0.0 5.53 470 451 A 32 SER HA A 63 THR HA 1.0 0.0 4.24 471 452 A 63 THR HG2% A 32 SER HA 1.0 0.0 5.11 472 453 A 63 THR HG2% A 32 SER HBy 1.0 0.0 4.48 473 454 A 63 THR HG2% A 32 SER HBx 1.0 0.0 4.48 474 455 A 63 THR HG2% A 64 PHE H 1.0 0.0 4.46 475 456 A 64 PHE HE% A 33 THR HG2% 1.0 0.0 4.58 476 457 A 33 THR HG2% A 64 PHE HZ 1.0 0.0 4.40 477 458 A 34 THR HA A 34 THR HG2% 1.0 0.0 4.14 478 459 A 48 THR HG2% A 72 VAL HG1% 1.0 0.0 3.71 479 460 A 35 TYR HA A 36 THR HB 1.0 0.0 4.91 480 461 A 59 THR HA A 36 THR HA 1.0 0.0 4.37 481 462 A 37 VAL HA A 74 ILE HD1% 1.0 0.0 6.60 482 463 A 46 VAL HG2% A 77 LYS HDx 1.0 0.0 3.82 483 463 A 46 VAL HG2% A 77 LYS HDy 1.0 0.0 3.82 484 464 A 37 VAL HG2% A 74 ILE HD1% 1.0 0.0 3.95 485 465 A 37 VAL HG1% A 45 TYR HD% 1.0 0.0 4.97 486 466 A 37 VAL HG1% A 9 TYR HE% 1.0 0.0 4.36 487 467 A 37 VAL HA A 37 VAL HG1% 1.0 0.0 4.41 488 468 A 58 LYS HA A 37 VAL HB 1.0 0.0 5.25 489 469 A 38 THR HA A 38 THR HG2% 1.0 0.0 4.15 490 470 A 39 ILE HD1% A 39 ILE H 1.0 0.0 5.58 491 471 A 39 ILE HD1% A 46 VAL H 1.0 0.0 5.99 492 472 A 39 ILE HD1% A 9 TYR HE% 1.0 0.0 4.88 493 473 A 39 ILE HD1% A 45 TYR HE% 1.0 0.0 5.45 494 474 A 39 ILE HD1% A 39 ILE HA 1.0 0.0 4.04 495 475 A 39 ILE HD1% A 45 TYR HBy 1.0 0.0 5.02 496 476 A 39 ILE HD1% A 45 TYR HBx 1.0 0.0 5.02 497 477 A 39 ILE HD1% A 76 LEU HD2% 1.0 0.0 3.76 498 478 A 39 ILE HG2% A 44 GLU HA 1.0 0.0 4.55 499 479 A 39 ILE HG2% A 39 ILE HA 1.0 0.0 4.14 500 480 A 39 ILE HG2% A 40 PRO HDy 1.0 0.0 5.06 501 481 A 39 ILE HG2% A 40 PRO HDx 1.0 0.0 5.06 502 482 A 43 TYR HBx A 39 ILE HG2% 1.0 0.0 4.78 503 483 A 39 ILE HG1y A 39 ILE HG2% 1.0 0.0 3.91 504 484 A 39 ILE H A 39 ILE HG1x 1.0 0.0 5.65 505 485 A 52 VAL HA A 52 VAL HG1% 1.0 0.0 3.95 506 486 A 19 VAL HG1% A 40 PRO HBy 1.0 0.0 5.92 507 487 A 19 VAL HG1% A 40 PRO HGy 1.0 0.0 5.01 508 488 A 39 ILE HA A 40 PRO HDy 1.0 0.0 4.22 509 489 A 76 LEU HD1% A 40 PRO HDy 1.0 0.0 5.30 510 490 A 19 VAL HG1% A 40 PRO HBx 1.0 0.0 5.92 511 491 A 19 VAL HG1% A 40 PRO HGx 1.0 0.0 5.01 512 492 A 39 ILE HA A 40 PRO HDx 1.0 0.0 4.22 513 493 A 41 ASP H A 41 ASP HBx 1.0 0.0 4.18 514 494 A 45 TYR H A 44 GLU HBy 1.0 0.0 5.43 515 495 A 7 ILE HA A 72 VAL HB 1.0 0.0 5.04 516 496 A 72 VAL HB A 7 ILE HG1y 1.0 0.0 5.12 517 497 A 62 ILE HD1% A 72 VAL HB 1.0 0.0 5.66 518 498 A 46 VAL HG1% A 46 VAL HA 1.0 0.0 4.09 519 499 A 46 VAL HG1% A 75 HIS HBy 1.0 0.0 5.13 520 500 A 46 VAL HG1% A 75 HIS HBx 1.0 0.0 5.13 521 501 A 46 VAL HB A 75 HIS HBy 1.0 0.0 5.02 522 502 A 46 VAL HB A 75 HIS HBx 1.0 0.0 5.02 523 503 A 48 THR HG2% A 48 THR HA 1.0 0.0 4.12 524 504 A 48 THR HG2% A 74 ILE HA 1.0 0.0 5.05 525 505 A 73 VAL H A 49 ASP HBy 1.0 0.0 5.30 526 506 A 73 VAL HB A 49 ASP HBy 1.0 0.0 4.58 527 507 A 72 VAL HG2% A 51 GLY HAx 1.0 0.0 5.21 528 508 A 52 VAL HG2% A 52 VAL HA 1.0 0.0 3.85 529 509 A 53 VAL H A 53 VAL HG2% 1.0 0.0 4.63 530 510 A 53 VAL HA A 53 VAL HG2% 1.0 0.0 4.04 531 511 A 53 VAL HG2% A 48 THR HB 1.0 0.0 4.50 532 512 A 53 VAL HG2% A 57 GLY HAx 1.0 0.0 5.37 533 513 A 53 VAL HG1% A 48 THR HB 1.0 0.0 5.07 534 514 A 58 LYS H A 58 LYS HGy 1.0 0.0 5.29 535 515 A 58 LYS H A 58 LYS HGx 1.0 0.0 5.29 536 516 A 58 LYS HA A 58 LYS HDx 1.0 0.0 5.12 537 516 A 58 LYS HA A 58 LYS HDy 1.0 0.0 5.12 538 517 A 61 THR H A 60 VAL HG1% 1.0 0.0 5.00 539 518 A 52 VAL HG2% A 51 GLY HAx 1.0 0.0 4.75 540 519 A 53 VAL HG2% A 60 VAL HB 1.0 0.0 5.49 541 520 A 52 VAL HB A 61 THR HB 1.0 0.0 4.15 542 521 A 52 VAL HG2% A 61 THR HB 1.0 0.0 5.62 543 522 A 61 THR HA A 62 ILE HB 1.0 0.0 6.21 544 523 A 62 ILE HD1% A 35 TYR HBy 1.0 0.0 5.26 545 524 A 62 ILE HD1% A 35 TYR HBx 1.0 0.0 5.26 546 525 A 5 ALA HB% A 62 ILE HD1% 1.0 0.0 3.85 547 526 A 7 ILE HD1% A 62 ILE HD1% 1.0 0.0 3.75 548 527 A 62 ILE HG2% A 62 ILE H 1.0 0.0 5.43 549 528 A 64 PHE HE% A 62 ILE HG2% 1.0 0.0 5.37 550 529 A 62 ILE HG2% A 35 TYR HD% 1.0 0.0 5.99 551 530 A 64 PHE HD% A 62 ILE HG2% 1.0 0.0 6.24 552 531 A 62 ILE HG2% A 62 ILE HA 1.0 0.0 4.43 553 532 A 62 ILE HG2% A 70 ASP HBy 1.0 0.0 5.26 554 533 A 62 ILE HG2% A 70 ASP HBx 1.0 0.0 5.26 555 534 A 25 VAL HG2% A 62 ILE HG2% 1.0 0.0 4.14 556 535 A 62 ILE HG2% A 72 VAL HG2% 1.0 0.0 4.55 557 536 A 62 ILE HG2% A 62 ILE HD1% 1.0 0.0 3.71 558 537 A 72 VAL HG2% A 62 ILE HG1x 1.0 0.0 4.80 559 538 A 63 THR HB A 64 PHE H 1.0 0.0 5.18 560 539 A 30 ASP H A 64 PHE HBx 1.0 0.0 5.48 561 540 A 29 THR HA A 64 PHE HBx 1.0 0.0 5.31 562 541 A 65 ALA HB% A 66 ALA HA 1.0 0.0 5.83 563 542 A 65 ALA HB% A 70 ASP HA 1.0 0.0 6.24 564 543 A 65 ALA HA A 66 ALA HB% 1.0 0.0 5.33 565 544 A 73 VAL HA A 73 VAL HG2% 1.0 0.0 4.18 566 545 A 73 VAL HG2% A 8 THR HB 1.0 0.0 4.69 567 546 A 73 VAL HA A 73 VAL HG1% 1.0 0.0 4.37 568 547 A 74 ILE HB A 9 TYR HD% 1.0 0.0 5.54 569 548 A 9 TYR HA A 74 ILE HB 1.0 0.0 5.16 570 549 A 74 ILE HD1% A 9 TYR HE% 1.0 0.0 4.97 571 550 A 9 TYR HA A 74 ILE HD1% 1.0 0.0 6.31 572 551 A 48 THR HA A 74 ILE HD1% 1.0 0.0 6.52 573 552 A 74 ILE HD1% A 72 VAL HA 1.0 0.0 6.35 574 553 A 73 VAL HA A 74 ILE HD1% 1.0 0.0 6.56 575 554 A 74 ILE HA A 74 ILE HD1% 1.0 0.0 5.24 576 555 A 74 ILE HD1% A 74 ILE HG2% 1.0 0.0 3.52 577 556 A 7 ILE HG2% A 74 ILE HD1% 1.0 0.0 3.86 578 557 A 9 TYR HA A 74 ILE HG2% 1.0 0.0 5.72 579 558 A 48 THR HA A 74 ILE HG2% 1.0 0.0 5.97 580 559 A 74 ILE HA A 74 ILE HG2% 1.0 0.0 4.28 581 560 A 72 VAL HG1% A 74 ILE HG2% 1.0 0.0 4.71 582 561 A 76 LEU HD2% A 76 LEU HA 1.0 0.0 4.21 583 562 A 76 LEU HD2% A 45 TYR HA 1.0 0.0 4.27 584 563 A 43 TYR HBy A 76 LEU HD2% 1.0 0.0 4.82 585 564 A 43 TYR HD% A 76 LEU HBy 1.0 0.0 5.76 586 565 A 44 GLU HA A 76 LEU HBy 1.0 0.0 5.55 587 566 A 43 TYR HBy A 76 LEU HBy 1.0 0.0 5.65 588 567 A 9 TYR HE% A 76 LEU HD1% 1.0 0.0 5.21 589 568 A 76 LEU HD1% A 40 PRO HDx 1.0 0.0 5.30 590 569 A 43 TYR HBy A 76 LEU HD1% 1.0 0.0 5.06 591 570 A 76 LEU HBy A 76 LEU HD1% 1.0 0.0 4.07 592 571 A 19 VAL HB A 76 LEU HD1% 1.0 0.0 5.57 593 572 A 19 VAL HG2% A 76 LEU HD1% 1.0 0.0 4.43 594 573 A 43 TYR HBy A 76 LEU HBx 1.0 0.0 5.50 595 574 A 46 VAL HG2% A 77 LYS HBx 1.0 0.0 5.23 596 575 A 44 GLU HGx A 79 GLY HAy 1.0 0.0 4.94 597 575 A 44 GLU HGy A 79 GLY HAy 1.0 0.0 4.94 598 576 A 79 GLY HAx A 44 GLU HGx 1.0 0.0 4.94 599 576 A 44 GLU HGy A 79 GLY HAx 1.0 0.0 4.94 600 577 A 80 LEU HA A 80 LEU HD2% 1.0 0.0 5.31 601 578 A 80 LEU H A 80 LEU HG 1.0 0.0 5.24 602 579 A 4 ASP HA A 27 GLY H 1.0 0.0 5.10 603 580 A 5 ALA HB% A 64 PHE HD% 1.0 0.0 4.73 604 581 A 7 ILE HD1% A 72 VAL HB 1.0 0.0 5.50 605 582 A 7 ILE HD1% A 7 ILE HA 1.0 0.0 5.55 606 583 A 6 THR HA A 7 ILE HD1% 1.0 0.0 5.70 607 584 A 7 ILE HG2% A 74 ILE H 1.0 0.0 6.75 608 585 A 7 ILE HG2% A 35 TYR HD% 1.0 0.0 5.91 609 586 A 7 ILE HG2% A 9 TYR HD% 1.0 0.0 5.76 610 587 A 10 VAL HG1% A 8 THR HB 1.0 0.0 5.53 611 588 A 8 THR HG2% A 7 ILE HG2% 1.0 0.0 6.07 612 589 A 8 THR HG2% A 10 VAL HG2% 1.0 0.0 6.83 613 590 A 8 THR HG2% A 73 VAL HG1% 1.0 0.0 6.66 614 591 A 8 THR HG2% A 18 GLN HA 1.0 0.0 5.16 615 592 A 8 THR HG2% A 19 VAL H 1.0 0.0 5.49 616 593 A 10 VAL HG1% A 73 VAL HG1% 1.0 0.0 3.90 617 594 A 14 LYS HBx A 11 ASP HBx 1.0 0.0 5.93 618 595 A 14 LYS H A 13 ASP HBx 1.0 0.0 6.11 619 596 A 14 LYS HA A 14 LYS HDx 1.0 0.0 5.45 620 596 A 14 LYS HDy A 14 LYS HA 1.0 0.0 5.45 621 597 A 14 LYS HA A 14 LYS HEx 1.0 0.0 6.35 622 597 A 14 LYS HEy A 14 LYS HA 1.0 0.0 6.35 623 598 A 13 ASP HA A 14 LYS HEx 1.0 0.0 5.42 624 598 A 14 LYS HEy A 13 ASP HA 1.0 0.0 5.42 625 599 A 10 VAL HG2% A 16 GLY HAy 1.0 0.0 5.73 626 600 A 18 GLN HA A 19 VAL HG1% 1.0 0.0 5.65 627 601 A 19 VAL HG2% A 11 ASP HBy 1.0 0.0 4.79 628 602 A 19 VAL HG2% A 17 ALA H 1.0 0.0 5.82 629 603 A 19 VAL HG2% A 43 TYR HD% 1.0 0.0 6.11 630 604 A 51 GLY H A 72 VAL HG2% 1.0 0.0 5.63 631 605 A 22 ILE HD1% A 18 GLN HGy 1.0 0.0 6.83 632 606 A 22 ILE HD1% A 18 GLN HGx 1.0 0.0 6.83 633 607 A 7 ILE HD1% A 23 VAL HG2% 1.0 0.0 5.59 634 608 A 7 ILE HG2% A 23 VAL HG2% 1.0 0.0 5.75 635 609 A 23 VAL HG2% A 9 TYR HD% 1.0 0.0 5.86 636 610 A 22 ILE H A 23 VAL HG2% 1.0 0.0 6.06 637 611 A 24 THR H A 23 VAL HG2% 1.0 0.0 6.26 638 612 A 23 VAL H A 23 VAL HG1% 1.0 0.0 5.50 639 613 A 25 VAL HG2% A 6 THR HA 1.0 0.0 6.17 640 614 A 25 VAL HG1% A 35 TYR HE% 1.0 0.0 5.90 641 615 A 26 THR HG2% A 27 GLY H 1.0 0.0 5.10 642 616 A 28 LYS H A 28 LYS HGy 1.0 0.0 5.61 643 617 A 29 THR H A 28 LYS HGy 1.0 0.0 5.92 644 618 A 28 LYS H A 31 ASP HBx 1.0 0.0 5.68 645 619 A 29 THR HG2% A 30 ASP HA 1.0 0.0 5.89 646 620 A 29 THR HG2% A 64 PHE HA 1.0 0.0 6.67 647 621 A 64 PHE HD% A 32 SER HA 1.0 0.0 5.95 648 622 A 33 THR HG2% A 62 ILE HG2% 1.0 0.0 5.13 649 623 A 33 THR HG2% A 62 ILE HD1% 1.0 0.0 4.96 650 624 A 32 SER HA A 33 THR HG2% 1.0 0.0 5.25 651 625 A 37 VAL HG1% A 74 ILE HD1% 1.0 0.0 4.98 652 626 A 37 VAL H A 37 VAL HG1% 1.0 0.0 5.21 653 627 A 59 THR HA A 37 VAL HG2% 1.0 0.0 4.95 654 628 A 37 VAL HG2% A 35 TYR HD% 1.0 0.0 4.83 655 629 A 37 VAL HG2% A 60 VAL H 1.0 0.0 5.57 656 630 A 38 THR HA A 39 ILE HG1y 1.0 0.0 4.57 657 631 A 38 THR H A 38 THR HG2% 1.0 0.0 5.45 658 632 A 39 ILE HG2% A 76 LEU HD1% 1.0 0.0 5.30 659 633 A 39 ILE H A 39 ILE HG2% 1.0 0.0 5.60 660 634 A 73 VAL HG1% A 74 ILE HG2% 1.0 0.0 5.28 661 635 A 76 LEU HD1% A 40 PRO HGy 1.0 0.0 5.41 662 636 A 76 LEU HD1% A 40 PRO HGx 1.0 0.0 5.41 663 637 A 43 TYR HBx A 44 GLU H 1.0 0.0 5.38 664 638 A 46 VAL HG2% A 46 VAL HA 1.0 0.0 4.22 665 639 A 76 LEU HD2% A 46 VAL HA 1.0 0.0 5.21 666 640 A 46 VAL H A 46 VAL HG1% 1.0 0.0 5.79 667 641 A 46 VAL HG2% A 77 LYS HBy 1.0 0.0 5.23 668 642 A 76 LEU HA A 46 VAL HG2% 1.0 0.0 4.89 669 643 A 48 THR HA A 74 ILE HA 1.0 0.0 4.76 670 644 A 53 VAL HA A 48 THR HB 1.0 0.0 4.89 671 645 A 48 THR HG2% A 74 ILE HD1% 1.0 0.0 4.80 672 646 A 48 THR HG2% A 73 VAL HB 1.0 0.0 5.53 673 647 A 48 THR HG2% A 53 VAL HB 1.0 0.0 5.23 674 648 A 72 VAL HG2% A 51 GLY HAy 1.0 0.0 5.21 675 649 A 52 VAL HA A 53 VAL HG1% 1.0 0.0 6.17 676 650 A 53 VAL HG1% A 54 SER HA 1.0 0.0 6.53 677 651 A 53 VAL HG2% A 57 GLY HAy 1.0 0.0 5.37 678 652 A 61 THR H A 53 VAL HG2% 1.0 0.0 5.61 679 653 A 58 LYS HA A 37 VAL HG2% 1.0 0.0 5.47 680 654 A 59 THR HG2% A 58 LYS HBx 1.0 0.0 4.29 681 654 A 59 THR HG2% A 58 LYS HBy 1.0 0.0 4.29 682 655 A 60 VAL H A 60 VAL HG2% 1.0 0.0 4.70 683 656 A 52 VAL HG2% A 51 GLY HAy 1.0 0.0 4.75 684 657 A 5 ALA HB% A 62 ILE HA 1.0 0.0 4.82 685 658 A 62 ILE HG2% A 70 ASP HA 1.0 0.0 5.73 686 659 A 62 ILE HG2% A 63 THR HA 1.0 0.0 5.74 687 660 A 62 ILE HB A 62 ILE HD1% 1.0 0.0 3.93 688 661 A 62 ILE HD1% A 60 VAL HB 1.0 0.0 5.66 689 662 A 62 ILE HD1% A 62 ILE HA 1.0 0.0 5.59 690 663 A 61 THR HA A 62 ILE HD1% 1.0 0.0 5.97 691 664 A 63 THR HG2% A 63 THR HA 1.0 0.0 3.91 692 665 A 72 VAL HG1% A 72 VAL HA 1.0 0.0 4.20 693 666 A 76 LEU HG A 74 ILE HG2% 1.0 0.0 5.25 694 667 A 74 ILE H A 74 ILE HG2% 1.0 0.0 5.40 695 668 A 37 VAL HB A 74 ILE HD1% 1.0 0.0 5.59 696 669 A 35 TYR HD% A 74 ILE HD1% 1.0 0.0 5.58 697 670 A 74 ILE HD1% A 45 TYR HD% 1.0 0.0 5.94 698 671 A 74 ILE HD1% A 9 TYR HD% 1.0 0.0 5.85 699 672 A 74 ILE HG2% A 76 LEU HD1% 1.0 0.0 5.11 700 673 A 80 LEU HA A 80 LEU HD1% 1.0 0.0 5.31 701 674 A 63 THR HG2% A 33 THR H 1.0 0.0 4.48 702 675 A 38 THR H A 9 TYR HE% 1.0 0.0 4.80 703 676 A 38 THR H A 35 TYR HE% 1.0 0.0 5.33 704 677 A 9 TYR HE% A 39 ILE HA 1.0 0.0 4.56 705 678 A 37 VAL HA A 35 TYR HE% 1.0 0.0 4.00 706 679 A 23 VAL HG2% A 35 TYR HE% 1.0 0.0 4.70 707 680 A 76 LEU HD2% A 9 TYR HE% 1.0 0.0 4.87 708 681 A 23 VAL HG1% A 35 TYR HE% 1.0 0.0 3.97 709 682 A 74 ILE HG2% A 9 TYR HE% 1.0 0.0 4.29 710 683 A 7 ILE HG2% A 9 TYR HE% 1.0 0.0 4.03 711 684 A 7 ILE HG2% A 35 TYR HE% 1.0 0.0 4.41 712 685 A 9 TYR H A 9 TYR HD% 1.0 0.0 4.44 713 686 A 76 LEU HD2% A 9 TYR HD% 1.0 0.0 3.98 714 687 A 74 ILE HG2% A 9 TYR HD% 1.0 0.0 4.19 715 688 A 76 LEU HD1% A 9 TYR HD% 1.0 0.0 4.07 716 689 A 7 ILE HD1% A 35 TYR HE% 1.0 0.0 4.73 717 690 A 35 TYR HA A 35 TYR HD% 1.0 0.0 3.94 718 691 A 35 TYR HD% A 60 VAL HB 1.0 0.0 4.59 719 692 A 39 ILE HD1% A 45 TYR HD% 1.0 0.0 3.62 720 693 A 35 TYR HD% A 62 ILE HD1% 1.0 0.0 4.51 721 694 A 7 ILE HD1% A 35 TYR HD% 1.0 0.0 4.75 722 695 A 43 TYR HE% A 78 HIS HD2 1.0 0.0 4.07 723 696 A 43 TYR HE% A 11 ASP HBy 1.0 0.0 5.03 724 697 A 43 TYR HE% A 11 ASP HBx 1.0 0.0 5.03 725 698 A 19 VAL HG2% A 43 TYR HE% 1.0 0.0 4.07 726 699 A 19 VAL HG1% A 43 TYR HE% 1.0 0.0 4.14 727 700 A 43 TYR H A 43 TYR HD% 1.0 0.0 4.11 728 701 A 43 TYR HD% A 43 TYR HA 1.0 0.0 4.41 729 702 A 43 TYR HD% A 76 LEU HD1% 1.0 0.0 4.30 730 703 A 45 TYR HE% A 48 THR HG1 1.0 0.0 4.35 731 704 A 48 THR HG2% A 45 TYR HE% 1.0 0.0 5.09 732 705 A 76 LEU HD2% A 45 TYR HE% 1.0 0.0 5.42 733 706 A 37 VAL HG1% A 45 TYR HE% 1.0 0.0 4.15 734 707 A 74 ILE HG2% A 45 TYR HE% 1.0 0.0 4.28 735 708 A 45 TYR HA A 45 TYR HD% 1.0 0.0 3.90 736 709 A 76 LEU HD2% A 45 TYR HD% 1.0 0.0 4.26 737 710 A 74 ILE HG2% A 45 TYR HD% 1.0 0.0 3.66 738 711 A 64 PHE HE% A 33 THR HB 1.0 0.0 4.81 739 712 A 64 PHE HD% A 64 PHE H 1.0 0.0 4.47 740 713 A 64 PHE HD% A 64 PHE HA 1.0 0.0 4.40 741 714 A 25 VAL HB A 64 PHE HZ 1.0 0.0 5.00 742 715 A 25 VAL HG2% A 64 PHE HZ 1.0 0.0 4.65 743 716 A 10 VAL HG2% A 75 HIS HE1 1.0 0.0 4.42 744 717 A 49 ASP H A 75 HIS HD2 1.0 0.0 4.77 745 718 A 75 HIS H A 75 HIS HD2 1.0 0.0 4.56 746 719 A 48 THR HA A 75 HIS HD2 1.0 0.0 4.99 747 720 A 73 VAL HG1% A 75 HIS HD2 1.0 0.0 4.89 748 721 A 14 LYS HBx A 78 HIS HE1 1.0 0.0 4.68 749 722 A 78 HIS H A 78 HIS HD2 1.0 0.0 4.57 750 723 A 78 HIS HA A 78 HIS HD2 1.0 0.0 4.28 751 724 A 43 TYR HBy A 78 HIS HD2 1.0 0.0 4.40 752 725 A 9 TYR HA A 9 TYR HD% 1.0 0.0 4.99 753 726 A 37 VAL HG2% A 35 TYR HE% 1.0 0.0 4.58 754 727 A 36 THR H A 35 TYR HD% 1.0 0.0 4.71 755 728 A 35 TYR H A 35 TYR HD% 1.0 0.0 4.81 756 729 A 43 TYR HD% A 76 LEU HBx 1.0 0.0 4.04 757 730 A 43 TYR HD% A 78 HIS HA 1.0 0.0 4.69 758 731 A 46 VAL H A 45 TYR HD% 1.0 0.0 4.85 759 732 A 45 TYR H A 45 TYR HD% 1.0 0.0 4.98 760 733 A 74 ILE HD1% A 45 TYR HE% 1.0 0.0 4.85 761 734 A 45 TYR HA A 45 TYR HE% 1.0 0.0 5.31 762 735 A 1 MET HA A 2 ASP HBx 1.0 0.0 5.07 763 735 A 1 MET HA A 2 ASP HBy 1.0 0.0 5.07 764 736 A 2 ASP H A 2 ASP HBx 1.0 0.0 3.89 765 736 A 2 ASP H A 2 ASP HBy 1.0 0.0 3.89 766 737 A 2 ASP HA A 28 LYS HBy 1.0 0.0 5.24 767 737 A 2 ASP HA A 28 LYS HBx 1.0 0.0 5.24 768 738 A 2 ASP HA A 28 LYS HDx 1.0 0.0 5.18 769 738 A 2 ASP HA A 28 LYS HDy 1.0 0.0 5.18 770 739 A 26 THR HB A 2 ASP HBx 1.0 0.0 5.30 771 739 A 26 THR HB A 2 ASP HBy 1.0 0.0 5.30 772 740 A 26 THR HG2% A 2 ASP HBx 1.0 0.0 4.27 773 740 A 26 THR HG2% A 2 ASP HBy 1.0 0.0 4.27 774 741 A 3 GLU H A 3 GLU HGy 1.0 0.0 5.09 775 741 A 3 GLU H A 3 GLU HGx 1.0 0.0 5.09 776 742 A 4 ASP H A 3 GLU HBx 1.0 0.0 4.11 777 742 A 4 ASP H A 3 GLU HBy 1.0 0.0 4.11 778 743 A 29 THR H A 3 GLU HBx 1.0 0.0 5.82 779 743 A 29 THR H A 3 GLU HBy 1.0 0.0 5.82 780 744 A 64 PHE HBy A 3 GLU HBx 1.0 0.0 5.02 781 744 A 64 PHE HBy A 3 GLU HBy 1.0 0.0 5.02 782 745 A 29 THR H A 3 GLU HGy 1.0 0.0 5.44 783 745 A 29 THR H A 3 GLU HGx 1.0 0.0 5.44 784 746 A 29 THR HG2% A 3 GLU HGy 1.0 0.0 5.12 785 746 A 29 THR HG2% A 3 GLU HGx 1.0 0.0 5.12 786 747 A 5 ALA HB% A 70 ASP HBy 1.0 0.0 4.57 787 747 A 5 ALA HB% A 70 ASP HBx 1.0 0.0 4.57 788 748 A 6 THR H A 71 ASN HBx 1.0 0.0 5.42 789 748 A 6 THR H A 71 ASN HBy 1.0 0.0 5.42 790 749 A 7 ILE HG2% A 74 ILE HG1y 1.0 0.0 5.00 791 749 A 7 ILE HG2% A 74 ILE HG1x 1.0 0.0 5.00 792 750 A 23 VAL HG2% A 7 ILE HG1x 1.0 0.0 5.42 793 750 A 23 VAL HG2% A 7 ILE HG1y 1.0 0.0 5.42 794 751 A 62 ILE HD1% A 7 ILE HG1x 1.0 0.0 4.75 795 751 A 62 ILE HD1% A 7 ILE HG1y 1.0 0.0 4.75 796 752 A 72 VAL H A 7 ILE HG1x 1.0 0.0 5.41 797 752 A 72 VAL H A 7 ILE HG1y 1.0 0.0 5.41 798 753 A 72 VAL HG1% A 7 ILE HG1x 1.0 0.0 5.62 799 753 A 72 VAL HG1% A 7 ILE HG1y 1.0 0.0 5.62 800 754 A 72 VAL HG2% A 7 ILE HG1x 1.0 0.0 5.80 801 754 A 72 VAL HG2% A 7 ILE HG1y 1.0 0.0 5.80 802 755 A 7 ILE HD1% A 35 TYR HBx 1.0 0.0 5.21 803 755 A 7 ILE HD1% A 35 TYR HBy 1.0 0.0 5.21 804 756 A 8 THR HG2% A 18 GLN HGy 1.0 0.0 4.14 805 756 A 8 THR HG2% A 18 GLN HGx 1.0 0.0 4.14 806 757 A 9 TYR H A 9 TYR HBy 1.0 0.0 3.89 807 757 A 9 TYR H A 9 TYR HBx 1.0 0.0 3.89 808 758 A 9 TYR HA A 74 ILE HG1y 1.0 0.0 6.09 809 758 A 9 TYR HA A 74 ILE HG1x 1.0 0.0 6.09 810 759 A 19 VAL H A 9 TYR HBy 1.0 0.0 5.38 811 759 A 19 VAL H A 9 TYR HBx 1.0 0.0 5.38 812 760 A 19 VAL HB A 9 TYR HBy 1.0 0.0 4.50 813 760 A 19 VAL HB A 9 TYR HBx 1.0 0.0 4.50 814 761 A 19 VAL HG1% A 9 TYR HBy 1.0 0.0 5.68 815 761 A 19 VAL HG1% A 9 TYR HBx 1.0 0.0 5.68 816 762 A 19 VAL HG2% A 9 TYR HBy 1.0 0.0 4.40 817 762 A 19 VAL HG2% A 9 TYR HBx 1.0 0.0 4.40 818 763 A 76 LEU HD1% A 9 TYR HBy 1.0 0.0 4.39 819 763 A 76 LEU HD1% A 9 TYR HBx 1.0 0.0 4.39 820 764 A 9 TYR HD% A 40 PRO HDx 1.0 0.0 5.79 821 764 A 9 TYR HD% A 40 PRO HDy 1.0 0.0 5.79 822 765 A 9 TYR HE% A 40 PRO HDx 1.0 0.0 4.82 823 765 A 9 TYR HE% A 40 PRO HDy 1.0 0.0 4.82 824 766 A 9 TYR HE% A 74 ILE HG1y 1.0 0.0 4.89 825 766 A 9 TYR HE% A 74 ILE HG1x 1.0 0.0 4.89 826 767 A 10 VAL HB A 16 GLY HAy 1.0 0.0 4.28 827 767 A 10 VAL HB A 16 GLY HAx 1.0 0.0 4.28 828 768 A 10 VAL HG1% A 16 GLY HAy 1.0 0.0 5.75 829 768 A 10 VAL HG1% A 16 GLY HAx 1.0 0.0 5.75 830 769 A 10 VAL HG2% A 16 GLY HAy 1.0 0.0 4.94 831 769 A 10 VAL HG2% A 16 GLY HAx 1.0 0.0 4.94 832 770 A 11 ASP H A 11 ASP HBy 1.0 0.0 3.61 833 770 A 11 ASP H A 11 ASP HBx 1.0 0.0 3.61 834 771 A 14 LYS H A 11 ASP HBy 1.0 0.0 4.80 835 771 A 14 LYS H A 11 ASP HBx 1.0 0.0 4.80 836 772 A 14 LYS HBx A 11 ASP HBy 1.0 0.0 5.03 837 772 A 14 LYS HBx A 11 ASP HBx 1.0 0.0 5.03 838 773 A 14 LYS HBy A 11 ASP HBy 1.0 0.0 5.35 839 773 A 14 LYS HBy A 11 ASP HBx 1.0 0.0 5.35 840 774 A 17 ALA H A 11 ASP HBy 1.0 0.0 4.80 841 774 A 17 ALA H A 11 ASP HBx 1.0 0.0 4.80 842 775 A 17 ALA HB% A 11 ASP HBy 1.0 0.0 4.41 843 775 A 17 ALA HB% A 11 ASP HBx 1.0 0.0 4.41 844 776 A 19 VAL HG2% A 11 ASP HBy 1.0 0.0 4.13 845 776 A 19 VAL HG2% A 11 ASP HBx 1.0 0.0 4.13 846 777 A 43 TYR HE% A 11 ASP HBy 1.0 0.0 4.15 847 777 A 43 TYR HE% A 11 ASP HBx 1.0 0.0 4.15 848 778 A 13 ASP H A 13 ASP HBx 1.0 0.0 3.71 849 778 A 13 ASP H A 13 ASP HBy 1.0 0.0 3.71 850 779 A 78 HIS H A 13 ASP HBx 1.0 0.0 4.95 851 779 A 78 HIS H A 13 ASP HBy 1.0 0.0 4.95 852 780 A 78 HIS HD2 A 13 ASP HBx 1.0 0.0 4.68 853 780 A 78 HIS HD2 A 13 ASP HBy 1.0 0.0 4.68 854 781 A 78 HIS HE1 A 13 ASP HBx 1.0 0.0 4.92 855 781 A 78 HIS HE1 A 13 ASP HBy 1.0 0.0 4.92 856 782 A 15 GLY H A 14 LYS HGx 1.0 0.0 6.13 857 782 A 15 GLY H A 14 LYS HGy 1.0 0.0 6.13 858 783 A 18 GLN H A 18 GLN HBx 1.0 0.0 3.34 859 783 A 18 GLN H A 18 GLN HBy 1.0 0.0 3.34 860 784 A 19 VAL H A 18 GLN HGy 1.0 0.0 4.29 861 784 A 19 VAL H A 18 GLN HGx 1.0 0.0 4.29 862 785 A 22 ILE HD1% A 18 GLN HGy 1.0 0.0 5.97 863 785 A 22 ILE HD1% A 18 GLN HGx 1.0 0.0 5.97 864 786 A 18 GLN HE2x A 22 ILE H 1.0 0.0 4.48 865 786 A 22 ILE H A 18 GLN HE2y 1.0 0.0 4.48 866 787 A 22 ILE HG2% A 18 GLN HE2x 1.0 0.0 5.54 867 787 A 22 ILE HG2% A 18 GLN HE2y 1.0 0.0 5.54 868 788 A 18 GLN HE2x A 22 ILE HG1x 1.0 0.0 4.19 869 788 A 18 GLN HE2x A 22 ILE HG1y 1.0 0.0 4.19 870 788 A 18 GLN HE2y A 22 ILE HG1y 1.0 0.0 4.19 871 788 A 18 GLN HE2y A 22 ILE HG1x 1.0 0.0 4.19 872 789 A 18 GLN HE2x A 22 ILE HD1% 1.0 0.0 4.41 873 789 A 22 ILE HD1% A 18 GLN HE2y 1.0 0.0 4.41 874 790 A 19 VAL HG1% A 40 PRO HBy 1.0 0.0 5.20 875 790 A 19 VAL HG1% A 40 PRO HBx 1.0 0.0 5.20 876 791 A 21 ASP H A 20 GLY HAx 1.0 0.0 3.26 877 791 A 21 ASP H A 20 GLY HAy 1.0 0.0 3.26 878 792 A 21 ASP H A 21 ASP HBx 1.0 0.0 3.54 879 792 A 21 ASP H A 21 ASP HBy 1.0 0.0 3.54 880 793 A 22 ILE H A 21 ASP HBx 1.0 0.0 4.08 881 793 A 22 ILE H A 21 ASP HBy 1.0 0.0 4.08 882 794 A 22 ILE H A 22 ILE HG1x 1.0 0.0 4.05 883 794 A 22 ILE H A 22 ILE HG1y 1.0 0.0 4.05 884 795 A 25 VAL HG1% A 35 TYR HBx 1.0 0.0 5.58 885 795 A 25 VAL HG1% A 35 TYR HBy 1.0 0.0 5.58 886 796 A 64 PHE HD% A 27 GLY HAx 1.0 0.0 5.93 887 796 A 64 PHE HD% A 27 GLY HAy 1.0 0.0 5.93 888 797 A 64 PHE HE% A 27 GLY HAx 1.0 0.0 5.27 889 797 A 64 PHE HE% A 27 GLY HAy 1.0 0.0 5.27 890 798 A 64 PHE HZ A 27 GLY HAx 1.0 0.0 6.42 891 798 A 64 PHE HZ A 27 GLY HAy 1.0 0.0 6.42 892 799 A 28 LYS H A 28 LYS HBy 1.0 0.0 3.60 893 799 A 28 LYS H A 28 LYS HBx 1.0 0.0 3.60 894 800 A 28 LYS H A 28 LYS HGy 1.0 0.0 4.82 895 800 A 28 LYS H A 28 LYS HGx 1.0 0.0 4.82 896 801 A 28 LYS H A 31 ASP HBy 1.0 0.0 4.88 897 801 A 28 LYS H A 31 ASP HBx 1.0 0.0 4.88 898 802 A 28 LYS HBx A 28 LYS HEx 1.0 0.0 4.82 899 802 A 28 LYS HBy A 28 LYS HEx 1.0 0.0 4.82 900 802 A 28 LYS HEy A 28 LYS HBy 1.0 0.0 4.82 901 802 A 28 LYS HBx A 28 LYS HEy 1.0 0.0 4.82 902 803 A 29 THR H A 28 LYS HBy 1.0 0.0 4.58 903 803 A 29 THR H A 28 LYS HBx 1.0 0.0 4.58 904 804 A 28 LYS HBx A 31 ASP HBy 1.0 0.0 4.86 905 804 A 28 LYS HBy A 31 ASP HBy 1.0 0.0 4.86 906 804 A 31 ASP HBx A 28 LYS HBy 1.0 0.0 4.86 907 804 A 28 LYS HBx A 31 ASP HBx 1.0 0.0 4.86 908 805 A 29 THR H A 28 LYS HGy 1.0 0.0 5.10 909 805 A 29 THR H A 28 LYS HGx 1.0 0.0 5.10 910 806 A 30 ASP H A 31 ASP HBy 1.0 0.0 5.85 911 806 A 30 ASP H A 31 ASP HBx 1.0 0.0 5.85 912 807 A 31 ASP H A 31 ASP HBy 1.0 0.0 3.66 913 807 A 31 ASP H A 31 ASP HBx 1.0 0.0 3.66 914 808 A 32 SER H A 31 ASP HBy 1.0 0.0 3.76 915 808 A 32 SER H A 31 ASP HBx 1.0 0.0 3.76 916 809 A 64 PHE HD% A 31 ASP HBy 1.0 0.0 5.45 917 809 A 64 PHE HD% A 31 ASP HBx 1.0 0.0 5.45 918 810 A 64 PHE HE% A 31 ASP HBy 1.0 0.0 5.49 919 810 A 64 PHE HE% A 31 ASP HBx 1.0 0.0 5.49 920 811 A 33 THR H A 32 SER HBx 1.0 0.0 4.04 921 811 A 33 THR H A 32 SER HBy 1.0 0.0 4.04 922 812 A 33 THR HA A 32 SER HBx 1.0 0.0 6.14 923 812 A 32 SER HBy A 33 THR HA 1.0 0.0 6.14 924 813 A 63 THR HA A 32 SER HBx 1.0 0.0 5.01 925 813 A 63 THR HA A 32 SER HBy 1.0 0.0 5.01 926 814 A 64 PHE HE% A 32 SER HBx 1.0 0.0 5.53 927 814 A 64 PHE HE% A 32 SER HBy 1.0 0.0 5.53 928 815 A 33 THR HG2% A 35 TYR HBx 1.0 0.0 5.71 929 815 A 33 THR HG2% A 35 TYR HBy 1.0 0.0 5.71 930 816 A 35 TYR H A 60 VAL HG2% 1.0 0.0 5.81 931 816 A 35 TYR H A 60 VAL HG1% 1.0 0.0 5.81 932 817 A 60 VAL H A 35 TYR HBx 1.0 0.0 5.41 933 817 A 60 VAL H A 35 TYR HBy 1.0 0.0 5.41 934 818 A 35 TYR HBx A 60 VAL HG2% 1.0 0.0 4.89 935 818 A 35 TYR HBy A 60 VAL HG2% 1.0 0.0 4.89 936 818 A 60 VAL HG1% A 35 TYR HBx 1.0 0.0 4.89 937 818 A 35 TYR HBy A 60 VAL HG1% 1.0 0.0 4.89 938 819 A 62 ILE HD1% A 35 TYR HBx 1.0 0.0 4.57 939 819 A 62 ILE HD1% A 35 TYR HBy 1.0 0.0 4.57 940 820 A 35 TYR HD% A 60 VAL HG2% 1.0 0.0 5.41 941 820 A 35 TYR HD% A 60 VAL HG1% 1.0 0.0 5.41 942 821 A 35 TYR HE% A 60 VAL HG2% 1.0 0.0 6.42 943 821 A 35 TYR HE% A 60 VAL HG1% 1.0 0.0 6.42 944 822 A 37 VAL HA A 74 ILE HG1y 1.0 0.0 6.16 945 822 A 37 VAL HA A 74 ILE HG1x 1.0 0.0 6.16 946 823 A 37 VAL HG1% A 45 TYR HBy 1.0 0.0 5.62 947 823 A 37 VAL HG1% A 45 TYR HBx 1.0 0.0 5.62 948 824 A 37 VAL HG1% A 74 ILE HG1y 1.0 0.0 4.71 949 824 A 37 VAL HG1% A 74 ILE HG1x 1.0 0.0 4.71 950 825 A 39 ILE HA A 40 PRO HGx 1.0 0.0 5.26 951 825 A 39 ILE HA A 40 PRO HGy 1.0 0.0 5.26 952 826 A 39 ILE HB A 40 PRO HDx 1.0 0.0 5.96 953 826 A 39 ILE HB A 40 PRO HDy 1.0 0.0 5.96 954 827 A 39 ILE HG2% A 40 PRO HDx 1.0 0.0 4.24 955 827 A 39 ILE HG2% A 40 PRO HDy 1.0 0.0 4.24 956 828 A 39 ILE HG2% A 45 TYR HBy 1.0 0.0 5.16 957 828 A 39 ILE HG2% A 45 TYR HBx 1.0 0.0 5.16 958 829 A 39 ILE HG1y A 45 TYR HBy 1.0 0.0 5.33 959 829 A 39 ILE HG1y A 45 TYR HBx 1.0 0.0 5.33 960 830 A 39 ILE HG1x A 45 TYR HBy 1.0 0.0 5.16 961 830 A 39 ILE HG1x A 45 TYR HBx 1.0 0.0 5.16 962 831 A 39 ILE HD1% A 40 PRO HDx 1.0 0.0 5.35 963 831 A 39 ILE HD1% A 40 PRO HDy 1.0 0.0 5.35 964 832 A 39 ILE HD1% A 45 TYR HBy 1.0 0.0 4.13 965 832 A 39 ILE HD1% A 45 TYR HBx 1.0 0.0 4.13 966 833 A 41 ASP H A 40 PRO HBy 1.0 0.0 4.20 967 833 A 41 ASP H A 40 PRO HBx 1.0 0.0 4.20 968 834 A 43 TYR HD% A 40 PRO HBy 1.0 0.0 3.72 969 834 A 43 TYR HD% A 40 PRO HBx 1.0 0.0 3.72 970 835 A 43 TYR HE% A 40 PRO HBy 1.0 0.0 4.48 971 835 A 43 TYR HE% A 40 PRO HBx 1.0 0.0 4.48 972 836 A 43 TYR HD% A 40 PRO HGx 1.0 0.0 4.17 973 836 A 43 TYR HD% A 40 PRO HGy 1.0 0.0 4.17 974 837 A 43 TYR HD% A 40 PRO HDx 1.0 0.0 4.83 975 837 A 43 TYR HD% A 40 PRO HDy 1.0 0.0 4.83 976 838 A 76 LEU HD1% A 40 PRO HDx 1.0 0.0 4.59 977 838 A 76 LEU HD1% A 40 PRO HDy 1.0 0.0 4.59 978 839 A 76 LEU HD2% A 40 PRO HDx 1.0 0.0 4.96 979 839 A 76 LEU HD2% A 40 PRO HDy 1.0 0.0 4.96 980 840 A 44 GLU H A 44 GLU HBx 1.0 0.0 3.81 981 840 A 44 GLU H A 44 GLU HBy 1.0 0.0 3.81 982 841 A 44 GLU H A 77 LYS HGx 1.0 0.0 5.59 983 841 A 44 GLU H A 77 LYS HGy 1.0 0.0 5.59 984 842 A 45 TYR H A 44 GLU HBx 1.0 0.0 4.65 985 842 A 45 TYR H A 44 GLU HBy 1.0 0.0 4.65 986 843 A 77 LYS H A 44 GLU HBx 1.0 0.0 4.49 987 843 A 77 LYS H A 44 GLU HBy 1.0 0.0 4.49 988 844 A 44 GLU HBy A 77 LYS HGx 1.0 0.0 4.22 989 844 A 44 GLU HBx A 77 LYS HGx 1.0 0.0 4.22 990 844 A 77 LYS HGy A 44 GLU HBx 1.0 0.0 4.22 991 844 A 44 GLU HBy A 77 LYS HGy 1.0 0.0 4.22 992 845 A 44 GLU HGx A 79 GLY HAy 1.0 0.0 4.30 993 845 A 44 GLU HGy A 79 GLY HAy 1.0 0.0 4.30 994 845 A 79 GLY HAx A 44 GLU HGx 1.0 0.0 4.30 995 845 A 44 GLU HGy A 79 GLY HAx 1.0 0.0 4.30 996 846 A 45 TYR H A 45 TYR HBy 1.0 0.0 3.40 997 846 A 45 TYR H A 45 TYR HBx 1.0 0.0 3.40 998 847 A 45 TYR HE% A 47 GLY HAx 1.0 0.0 4.91 999 847 A 45 TYR HE% A 47 GLY HAy 1.0 0.0 4.91 1000 848 A 45 TYR HE% A 74 ILE HG1y 1.0 0.0 6.58 1001 848 A 45 TYR HE% A 74 ILE HG1x 1.0 0.0 6.58 1002 849 A 46 VAL H A 75 HIS HBx 1.0 0.0 6.13 1003 849 A 46 VAL H A 75 HIS HBy 1.0 0.0 6.13 1004 850 A 46 VAL HB A 75 HIS HBx 1.0 0.0 4.42 1005 850 A 46 VAL HB A 75 HIS HBy 1.0 0.0 4.42 1006 851 A 46 VAL HG1% A 75 HIS HBx 1.0 0.0 4.50 1007 851 A 46 VAL HG1% A 75 HIS HBy 1.0 0.0 4.50 1008 852 A 46 VAL HG2% A 75 HIS HBx 1.0 0.0 5.09 1009 852 A 46 VAL HG2% A 75 HIS HBy 1.0 0.0 5.09 1010 853 A 46 VAL HG2% A 77 LYS HGx 1.0 0.0 4.61 1011 853 A 46 VAL HG2% A 77 LYS HGy 1.0 0.0 4.61 1012 854 A 47 GLY H A 75 HIS HBx 1.0 0.0 4.05 1013 854 A 47 GLY H A 75 HIS HBy 1.0 0.0 4.05 1014 855 A 48 THR HA A 49 ASP HBy 1.0 0.0 4.76 1015 855 A 48 THR HA A 49 ASP HBx 1.0 0.0 4.76 1016 856 A 48 THR HA A 74 ILE HG1y 1.0 0.0 6.58 1017 856 A 48 THR HA A 74 ILE HG1x 1.0 0.0 6.58 1018 857 A 73 VAL H A 49 ASP HBy 1.0 0.0 4.61 1019 857 A 73 VAL H A 49 ASP HBx 1.0 0.0 4.61 1020 858 A 73 VAL HB A 49 ASP HBy 1.0 0.0 3.99 1021 858 A 73 VAL HB A 49 ASP HBx 1.0 0.0 3.99 1022 859 A 73 VAL HG1% A 49 ASP HBy 1.0 0.0 5.50 1023 859 A 73 VAL HG1% A 49 ASP HBx 1.0 0.0 5.50 1024 860 A 73 VAL HG2% A 49 ASP HBy 1.0 0.0 5.34 1025 860 A 73 VAL HG2% A 49 ASP HBx 1.0 0.0 5.34 1026 861 A 75 HIS HD2 A 49 ASP HBy 1.0 0.0 4.68 1027 861 A 75 HIS HD2 A 49 ASP HBx 1.0 0.0 4.68 1028 862 A 51 GLY H A 60 VAL HG2% 1.0 0.0 6.45 1029 862 A 51 GLY H A 60 VAL HG1% 1.0 0.0 6.45 1030 863 A 52 VAL HG2% A 51 GLY HAy 1.0 0.0 4.12 1031 863 A 52 VAL HG2% A 51 GLY HAx 1.0 0.0 4.12 1032 864 A 53 VAL HA A 54 SER HBx 1.0 0.0 4.65 1033 864 A 53 VAL HA A 54 SER HBy 1.0 0.0 4.65 1034 865 A 53 VAL HG1% A 57 GLY HAy 1.0 0.0 4.47 1035 865 A 53 VAL HG1% A 57 GLY HAx 1.0 0.0 4.47 1036 866 A 53 VAL HG2% A 57 GLY HAy 1.0 0.0 4.48 1037 866 A 53 VAL HG2% A 57 GLY HAx 1.0 0.0 4.48 1038 867 A 59 THR H A 54 SER HBx 1.0 0.0 4.56 1039 867 A 59 THR H A 54 SER HBy 1.0 0.0 4.56 1040 868 A 59 THR H A 58 LYS HGx 1.0 0.0 5.63 1041 868 A 59 THR H A 58 LYS HGy 1.0 0.0 5.63 1042 869 A 59 THR HA A 60 VAL HG2% 1.0 0.0 5.67 1043 869 A 59 THR HA A 60 VAL HG1% 1.0 0.0 5.67 1044 870 A 60 VAL H A 60 VAL HG2% 1.0 0.0 4.03 1045 870 A 60 VAL H A 60 VAL HG1% 1.0 0.0 4.03 1046 871 A 61 THR H A 60 VAL HG2% 1.0 0.0 4.27 1047 871 A 61 THR H A 60 VAL HG1% 1.0 0.0 4.27 1048 872 A 62 ILE H A 62 ILE HG1x 1.0 0.0 4.79 1049 872 A 62 ILE H A 62 ILE HG1y 1.0 0.0 4.79 1050 873 A 62 ILE HG2% A 70 ASP HBy 1.0 0.0 4.35 1051 873 A 62 ILE HG2% A 70 ASP HBx 1.0 0.0 4.35 1052 874 A 63 THR H A 62 ILE HG1x 1.0 0.0 5.28 1053 874 A 63 THR H A 62 ILE HG1y 1.0 0.0 5.28 1054 875 A 72 VAL HG2% A 62 ILE HG1x 1.0 0.0 4.15 1055 875 A 72 VAL HG2% A 62 ILE HG1y 1.0 0.0 4.15 1056 876 A 64 PHE HA A 70 ASP HBy 1.0 0.0 5.10 1057 876 A 64 PHE HA A 70 ASP HBx 1.0 0.0 5.10 1058 877 A 65 ALA H A 70 ASP HBy 1.0 0.0 4.48 1059 877 A 65 ALA H A 70 ASP HBx 1.0 0.0 4.48 1060 878 A 65 ALA HB% A 67 ASP HBy 1.0 0.0 5.38 1061 878 A 65 ALA HB% A 67 ASP HBx 1.0 0.0 5.38 1062 879 A 65 ALA HB% A 70 ASP HBy 1.0 0.0 4.46 1063 879 A 65 ALA HB% A 70 ASP HBx 1.0 0.0 4.46 1064 880 A 68 ASP H A 67 ASP HBy 1.0 0.0 3.72 1065 880 A 68 ASP H A 67 ASP HBx 1.0 0.0 3.72 1066 881 A 69 SER H A 67 ASP HBy 1.0 0.0 5.50 1067 881 A 69 SER H A 67 ASP HBx 1.0 0.0 5.50 1068 882 A 68 ASP HA A 71 ASN HD2y 1.0 0.0 5.47 1069 882 A 68 ASP HA A 71 ASN HD2x 1.0 0.0 5.47 1070 883 A 68 ASP HBy A 71 ASN HD2y 1.0 0.0 4.45 1071 883 A 68 ASP HBx A 71 ASN HD2y 1.0 0.0 4.45 1072 883 A 71 ASN HD2x A 68 ASP HBx 1.0 0.0 4.45 1073 883 A 71 ASN HD2x A 68 ASP HBy 1.0 0.0 4.45 1074 884 A 71 ASN H A 71 ASN HBx 1.0 0.0 3.64 1075 884 A 71 ASN H A 71 ASN HBy 1.0 0.0 3.64 1076 885 A 71 ASN H A 71 ASN HD2y 1.0 0.0 5.28 1077 885 A 71 ASN H A 71 ASN HD2x 1.0 0.0 5.28 1078 886 A 72 VAL H A 71 ASN HBx 1.0 0.0 4.55 1079 886 A 72 VAL H A 71 ASN HBy 1.0 0.0 4.55 1080 887 A 72 VAL HG1% A 74 ILE HG1y 1.0 0.0 4.29 1081 887 A 72 VAL HG1% A 74 ILE HG1x 1.0 0.0 4.29 1082 888 A 74 ILE H A 74 ILE HG1y 1.0 0.0 4.22 1083 888 A 74 ILE H A 74 ILE HG1x 1.0 0.0 4.22 1084 889 A 75 HIS H A 75 HIS HBx 1.0 0.0 3.81 1085 889 A 75 HIS H A 75 HIS HBy 1.0 0.0 3.81 1086 890 A 75 HIS HE1 A 75 HIS HBx 1.0 0.0 4.76 1087 890 A 75 HIS HE1 A 75 HIS HBy 1.0 0.0 4.76 1088 891 A 77 LYS H A 77 LYS HGx 1.0 0.0 4.17 1089 891 A 77 LYS H A 77 LYS HGy 1.0 0.0 4.17 1090 892 A 78 HIS H A 77 LYS HBy 1.0 0.0 3.75 1091 892 A 78 HIS H A 77 LYS HBx 1.0 0.0 3.75 1092 893 A 78 HIS H A 77 LYS HGx 1.0 0.0 5.33 1093 893 A 78 HIS H A 77 LYS HGy 1.0 0.0 5.33 1094 894 A 78 HIS H A 78 HIS HBx 1.0 0.0 3.60 1095 894 A 78 HIS H A 78 HIS HBy 1.0 0.0 3.60 1096 895 A 78 HIS HE1 A 78 HIS HBx 1.0 0.0 4.88 1097 895 A 78 HIS HE1 A 78 HIS HBy 1.0 0.0 4.88 1098 896 A 79 GLY H A 78 HIS HBx 1.0 0.0 4.25 1099 896 A 79 GLY H A 78 HIS HBy 1.0 0.0 4.25 1100 897 A 80 LEU H A 80 LEU HBx 1.0 0.0 3.45 1101 897 A 80 LEU H A 80 LEU HBy 1.0 0.0 3.45 1102 898 A 80 LEU H A 80 LEU HD1% 1.0 0.0 5.40 1103 898 A 80 LEU H A 80 LEU HD2% 1.0 0.0 5.40 1104 899 A 80 LEU HA A 80 LEU HD1% 1.0 0.0 4.09 1105 899 A 80 LEU HA A 80 LEU HD2% 1.0 0.0 4.09 1106 900 A 81 GLU H A 80 LEU HBx 1.0 0.0 4.65 1107 900 A 81 GLU H A 80 LEU HBy 1.0 0.0 4.65 1108 901 A 80 LEU HBy A 81 GLU HBy 1.0 0.0 5.59 1109 901 A 80 LEU HBx A 81 GLU HBy 1.0 0.0 5.59 1110 901 A 81 GLU HBx A 80 LEU HBx 1.0 0.0 5.59 1111 901 A 80 LEU HBy A 81 GLU HBx 1.0 0.0 5.59 1112 902 A 81 GLU H A 80 LEU HD1% 1.0 0.0 5.66 1113 902 A 81 GLU H A 80 LEU HD2% 1.0 0.0 5.66 1114 903 A 81 GLU H A 81 GLU HBy 1.0 0.0 3.78 1115 903 A 81 GLU H A 81 GLU HBx 1.0 0.0 3.78 1116 904 A 81 GLU H A 81 GLU HGy 1.0 0.0 4.89 1117 904 A 81 GLU H A 81 GLU HGx 1.0 0.0 4.89 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 ASP C A 3 GLU N A 3 GLU CA A 3 GLU C 1.0 -156.3 -84.1 PHI 2 2 A 3 GLU N A 3 GLU CA A 3 GLU C A 4 ASP N 1.0 140.7 183.5 PSI 3 3 A 3 GLU C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -164.9 -98.3 PHI 4 4 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 ALA N 1.0 126.1 167.3 PSI 5 5 A 4 ASP C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -188.1 -88.5 PHI 6 6 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 THR N 1.0 120.1 182.3 PSI 7 7 A 5 ALA C A 6 THR N A 6 THR CA A 6 THR C 1.0 -160.9 -97.5 PHI 8 8 A 6 THR N A 6 THR CA A 6 THR C A 7 ILE N 1.0 126.3 177.1 PSI 9 9 A 6 THR C A 7 ILE N A 7 ILE CA A 7 ILE C 1.0 -153.7 -90.3 PHI 10 10 A 7 ILE N A 7 ILE CA A 7 ILE C A 8 THR N 1.0 98.7 158.3 PSI 11 11 A 7 ILE C A 8 THR N A 8 THR CA A 8 THR C 1.0 -158.3 -60.9 PHI 12 12 A 8 THR N A 8 THR CA A 8 THR C A 9 TYR N 1.0 103.2 151.2 PSI 13 13 A 8 THR C A 9 TYR N A 9 TYR CA A 9 TYR C 1.0 -133.0 -74.0 PHI 14 14 A 9 TYR N A 9 TYR CA A 9 TYR C A 10 VAL N 1.0 121.5 164.1 PSI 15 15 A 9 TYR C A 10 VAL N A 10 VAL CA A 10 VAL C 1.0 -155.1 -120.5 PHI 16 16 A 10 VAL N A 10 VAL CA A 10 VAL C A 11 ASP N 1.0 132.0 189.6 PSI 17 17 A 11 ASP C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -64.9 -44.9 PHI 18 18 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 ASP N 1.0 -63.1 -9.9 PSI 19 19 A 12 ASP C A 13 ASP N A 13 ASP CA A 13 ASP C 1.0 -97.4 -51.6 PHI 20 20 A 13 ASP N A 13 ASP CA A 13 ASP C A 14 LYS N 1.0 -35.2 12.8 PSI 21 21 A 17 ALA C A 18 GLN N A 18 GLN CA A 18 GLN C 1.0 -108.9 -61.7 PHI 22 22 A 18 GLN N A 18 GLN CA A 18 GLN C A 19 VAL N 1.0 102.2 142.0 PSI 23 23 A 18 GLN C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -124.2 -86.4 PHI 24 24 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 GLY N 1.0 106.7 144.1 PSI 25 25 A 21 ASP C A 22 ILE N A 22 ILE CA A 22 ILE C 1.0 -136.8 -54.0 PHI 26 26 A 22 ILE N A 22 ILE CA A 22 ILE C A 23 VAL N 1.0 107.3 139.7 PSI 27 27 A 22 ILE C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -152.1 -75.1 PHI 28 28 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 THR N 1.0 102.7 148.3 PSI 29 29 A 23 VAL C A 24 THR N A 24 THR CA A 24 THR C 1.0 -145.3 -58.1 PHI 30 30 A 24 THR N A 24 THR CA A 24 THR C A 25 VAL N 1.0 104.5 165.5 PSI 31 31 A 24 THR C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -177.5 -92.9 PHI 32 32 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 THR N 1.0 140.3 179.7 PSI 33 33 A 25 VAL C A 26 THR N A 26 THR CA A 26 THR C 1.0 -171.5 -99.1 PHI 34 34 A 26 THR N A 26 THR CA A 26 THR C A 27 GLY N 1.0 121.1 165.5 PSI 35 35 A 28 LYS C A 29 THR N A 29 THR CA A 29 THR C 1.0 -71.2 -44.6 PHI 36 36 A 29 THR N A 29 THR CA A 29 THR C A 30 ASP N 1.0 -61.2 -17.8 PSI 37 37 A 29 THR C A 30 ASP N A 30 ASP CA A 30 ASP C 1.0 -85.0 -59.8 PHI 38 38 A 30 ASP N A 30 ASP CA A 30 ASP C A 31 ASP N 1.0 -37.3 17.1 PSI 39 39 A 31 ASP C A 32 SER N A 32 SER CA A 32 SER C 1.0 -168.6 -94.8 PHI 40 40 A 32 SER N A 32 SER CA A 32 SER C A 33 THR N 1.0 141.4 169.4 PSI 41 41 A 32 SER C A 33 THR N A 33 THR CA A 33 THR C 1.0 -148.7 -96.1 PHI 42 42 A 33 THR N A 33 THR CA A 33 THR C A 34 THR N 1.0 101.6 160.4 PSI 43 43 A 33 THR C A 34 THR N A 34 THR CA A 34 THR C 1.0 -138.4 -58.2 PHI 44 44 A 34 THR N A 34 THR CA A 34 THR C A 35 TYR N 1.0 102.0 148.4 PSI 45 45 A 34 THR C A 35 TYR N A 35 TYR CA A 35 TYR C 1.0 -159.9 -83.1 PHI 46 46 A 35 TYR N A 35 TYR CA A 35 TYR C A 36 THR N 1.0 107.8 143.4 PSI 47 47 A 35 TYR C A 36 THR N A 36 THR CA A 36 THR C 1.0 -158.0 -54.4 PHI 48 48 A 36 THR N A 36 THR CA A 36 THR C A 37 VAL N 1.0 105.2 151.6 PSI 49 49 A 36 THR C A 37 VAL N A 37 VAL CA A 37 VAL C 1.0 -134.2 -77.8 PHI 50 50 A 37 VAL N A 37 VAL CA A 37 VAL C A 38 THR N 1.0 104.0 140.0 PSI 51 51 A 37 VAL C A 38 THR N A 38 THR CA A 38 THR C 1.0 -138.0 -87.6 PHI 52 52 A 38 THR N A 38 THR CA A 38 THR C A 39 ILE N 1.0 81.3 168.3 PSI 53 53 A 47 GLY C A 48 THR N A 48 THR CA A 48 THR C 1.0 -161.8 -91.6 PHI 54 54 A 48 THR N A 48 THR CA A 48 THR C A 49 ASP N 1.0 99.6 162.8 PSI 55 55 A 48 THR C A 49 ASP N A 49 ASP CA A 49 ASP C 1.0 -148.4 -73.4 PHI 56 56 A 49 ASP N A 49 ASP CA A 49 ASP C A 50 GLY N 1.0 101.4 150.2 PSI 57 57 A 51 GLY C A 52 VAL N A 52 VAL CA A 52 VAL C 1.0 -163.6 -67.4 PHI 58 58 A 52 VAL N A 52 VAL CA A 52 VAL C A 53 VAL N 1.0 107.8 161.0 PSI 59 59 A 52 VAL C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -145.2 -57.8 PHI 60 60 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 SER N 1.0 90.0 156.4 PSI 61 61 A 54 SER C A 55 SER N A 55 SER CA A 55 SER C 1.0 -72.5 -46.3 PHI 62 62 A 55 SER N A 55 SER CA A 55 SER C A 56 ASP N 1.0 -47.4 -12.6 PSI 63 63 A 55 SER C A 56 ASP N A 56 ASP CA A 56 ASP C 1.0 -103.5 -63.1 PHI 64 64 A 56 ASP N A 56 ASP CA A 56 ASP C A 57 GLY N 1.0 -17.4 17.6 PSI 65 65 A 58 LYS C A 59 THR N A 59 THR CA A 59 THR C 1.0 -158.4 -90.6 PHI 66 66 A 59 THR N A 59 THR CA A 59 THR C A 60 VAL N 1.0 109.6 190.0 PSI 67 67 A 59 THR C A 60 VAL N A 60 VAL CA A 60 VAL C 1.0 -164.1 -108.1 PHI 68 68 A 60 VAL N A 60 VAL CA A 60 VAL C A 61 THR N 1.0 109.5 155.5 PSI 69 69 A 60 VAL C A 61 THR N A 61 THR CA A 61 THR C 1.0 -139.5 -57.3 PHI 70 70 A 61 THR N A 61 THR CA A 61 THR C A 62 ILE N 1.0 104.8 145.4 PSI 71 71 A 61 THR C A 62 ILE N A 62 ILE CA A 62 ILE C 1.0 -156.5 -82.1 PHI 72 72 A 62 ILE N A 62 ILE CA A 62 ILE C A 63 THR N 1.0 107.1 154.5 PSI 73 73 A 62 ILE C A 63 THR N A 63 THR CA A 63 THR C 1.0 -140.4 -80.0 PHI 74 74 A 63 THR N A 63 THR CA A 63 THR C A 64 PHE N 1.0 82.9 167.5 PSI 75 75 A 63 THR C A 64 PHE N A 64 PHE CA A 64 PHE C 1.0 -118.7 -48.5 PHI 76 76 A 64 PHE N A 64 PHE CA A 64 PHE C A 65 ALA N 1.0 115.2 155.0 PSI 77 77 A 64 PHE C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -153.2 -75.4 PHI 78 78 A 65 ALA N A 65 ALA CA A 65 ALA C A 66 ALA N 1.0 116.2 152.6 PSI 79 79 A 71 ASN C A 72 VAL N A 72 VAL CA A 72 VAL C 1.0 -170.8 -68.8 PHI 80 80 A 72 VAL N A 72 VAL CA A 72 VAL C A 73 VAL N 1.0 120.6 153.8 PSI 81 81 A 72 VAL C A 73 VAL N A 73 VAL CA A 73 VAL C 1.0 -137.4 -96.4 PHI 82 82 A 73 VAL N A 73 VAL CA A 73 VAL C A 74 ILE N 1.0 99.1 147.7 PSI 83 83 A 73 VAL C A 74 ILE N A 74 ILE CA A 74 ILE C 1.0 -133.0 -86.8 PHI 84 84 A 74 ILE N A 74 ILE CA A 74 ILE C A 75 HIS N 1.0 92.4 141.6 PSI 85 85 A 74 ILE C A 75 HIS N A 75 HIS CA A 75 HIS C 1.0 -129.2 -79.2 PHI 86 86 A 75 HIS N A 75 HIS CA A 75 HIS C A 76 LEU N 1.0 106.4 147.0 PSI 87 87 A 75 HIS C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -154.6 -97.4 PHI 88 88 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 LYS N 1.0 142.3 178.5 PSI 89 89 A 76 LEU C A 77 LYS N A 77 LYS CA A 77 LYS C 1.0 -167.9 -94.5 PHI 90 90 A 77 LYS N A 77 LYS CA A 77 LYS C A 78 HIS N 1.0 126.6 170.8 PSI 91 91 A 77 LYS C A 78 HIS N A 78 HIS CA A 78 HIS C 1.0 -95.9 -43.5 PHI 92 92 A 78 HIS N A 78 HIS CA A 78 HIS C A 79 GLY N 1.0 108.5 167.9 PSI stop_ save_ save_DYANA/DIANA_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_5 _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 2 ASP C A 3 GLU N A 3 GLU CA A 3 GLU C 1.0 -156.3 -84.2 PHI 2 2 A 3 GLU N A 3 GLU CA A 3 GLU C A 4 ASP N 1.0 140.7 183.5 PSI 3 3 A 3 GLU C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -164.9 -98.3 PHI 4 4 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 ALA N 1.0 126.1 167.3 PSI 5 5 A 4 ASP C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -188.1 -88.5 PHI 6 6 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 THR N 1.0 120.1 182.3 PSI 7 7 A 5 ALA C A 6 THR N A 6 THR CA A 6 THR C 1.0 -160.9 -97.5 PHI 8 8 A 6 THR N A 6 THR CA A 6 THR C A 7 ILE N 1.0 126.3 177.1 PSI 9 9 A 6 THR C A 7 ILE N A 7 ILE CA A 7 ILE C 1.0 -153.7 -90.2 PHI 10 10 A 7 ILE N A 7 ILE CA A 7 ILE C A 8 THR N 1.0 98.7 158.3 PSI 11 11 A 7 ILE C A 8 THR N A 8 THR CA A 8 THR C 1.0 -158.3 -60.9 PHI 12 12 A 8 THR N A 8 THR CA A 8 THR C A 9 TYR N 1.0 103.2 151.2 PSI 13 13 A 8 THR C A 9 TYR N A 9 TYR CA A 9 TYR C 1.0 -133.0 -74.1 PHI 14 14 A 9 TYR N A 9 TYR CA A 9 TYR C A 10 VAL N 1.0 121.4 164.1 PSI 15 15 A 9 TYR C A 10 VAL N A 10 VAL CA A 10 VAL C 1.0 -155.1 -120.5 PHI 16 16 A 10 VAL N A 10 VAL CA A 10 VAL C A 11 ASP N 1.0 131.9 189.6 PSI 17 17 A 11 ASP C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -64.9 -44.9 PHI 18 18 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 ASP N 1.0 -63.1 -10.0 PSI 19 19 A 12 ASP C A 13 ASP N A 13 ASP CA A 13 ASP C 1.0 -97.3 -51.6 PHI 20 20 A 13 ASP N A 13 ASP CA A 13 ASP C A 14 LYS N 1.0 -35.2 12.8 PSI 21 21 A 17 ALA C A 18 GLN N A 18 GLN CA A 18 GLN C 1.0 -108.9 -61.7 PHI 22 22 A 18 GLN N A 18 GLN CA A 18 GLN C A 19 VAL N 1.0 102.2 142.1 PSI 23 23 A 18 GLN C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -124.2 -86.3 PHI 24 24 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 GLY N 1.0 106.7 144.2 PSI 25 25 A 21 ASP C A 22 ILE N A 22 ILE CA A 22 ILE C 1.0 -136.8 -54.0 PHI 26 26 A 22 ILE N A 22 ILE CA A 22 ILE C A 23 VAL N 1.0 107.2 139.7 PSI 27 27 A 22 ILE C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -152.1 -75.0 PHI 28 28 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 THR N 1.0 102.8 148.3 PSI 29 29 A 23 VAL C A 24 THR N A 24 THR CA A 24 THR C 1.0 -145.2 -58.1 PHI 30 30 A 24 THR N A 24 THR CA A 24 THR C A 25 VAL N 1.0 104.5 165.5 PSI 31 31 A 24 THR C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -177.5 -92.9 PHI 32 32 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 THR N 1.0 140.3 179.7 PSI 33 33 A 25 VAL C A 26 THR N A 26 THR CA A 26 THR C 1.0 -171.6 -99.1 PHI 34 34 A 26 THR N A 26 THR CA A 26 THR C A 27 GLY N 1.0 121.2 165.5 PSI 35 35 A 28 LYS C A 29 THR N A 29 THR CA A 29 THR C 1.0 -71.2 -44.6 PHI 36 36 A 29 THR N A 29 THR CA A 29 THR C A 30 ASP N 1.0 -61.1 -17.8 PSI 37 37 A 29 THR C A 30 ASP N A 30 ASP CA A 30 ASP C 1.0 -85.0 -59.8 PHI 38 38 A 30 ASP N A 30 ASP CA A 30 ASP C A 31 ASP N 1.0 -37.2 17.1 PSI 39 39 A 31 ASP C A 32 SER N A 32 SER CA A 32 SER C 1.0 -168.6 -94.8 PHI 40 40 A 32 SER N A 32 SER CA A 32 SER C A 33 THR N 1.0 141.4 169.4 PSI 41 41 A 32 SER C A 33 THR N A 33 THR CA A 33 THR C 1.0 -148.7 -96.1 PHI 42 42 A 33 THR N A 33 THR CA A 33 THR C A 34 THR N 1.0 101.7 160.4 PSI 43 43 A 33 THR C A 34 THR N A 34 THR CA A 34 THR C 1.0 -138.4 -58.2 PHI 44 44 A 34 THR N A 34 THR CA A 34 THR C A 35 TYR N 1.0 102.0 148.5 PSI 45 45 A 34 THR C A 35 TYR N A 35 TYR CA A 35 TYR C 1.0 -159.9 -83.0 PHI 46 46 A 35 TYR N A 35 TYR CA A 35 TYR C A 36 THR N 1.0 107.8 143.4 PSI 47 47 A 35 TYR C A 36 THR N A 36 THR CA A 36 THR C 1.0 -158.0 -54.4 PHI 48 48 A 36 THR N A 36 THR CA A 36 THR C A 37 VAL N 1.0 105.2 151.6 PSI 49 49 A 36 THR C A 37 VAL N A 37 VAL CA A 37 VAL C 1.0 -134.2 -77.7 PHI 50 50 A 37 VAL N A 37 VAL CA A 37 VAL C A 38 THR N 1.0 103.9 140.0 PSI 51 51 A 37 VAL C A 38 THR N A 38 THR CA A 38 THR C 1.0 -138.0 -87.6 PHI 52 52 A 38 THR N A 38 THR CA A 38 THR C A 39 ILE N 1.0 81.3 168.2 PSI 53 53 A 47 GLY C A 48 THR N A 48 THR CA A 48 THR C 1.0 -161.8 -91.5 PHI 54 54 A 48 THR N A 48 THR CA A 48 THR C A 49 ASP N 1.0 99.6 162.9 PSI 55 55 A 48 THR C A 49 ASP N A 49 ASP CA A 49 ASP C 1.0 -148.4 -73.4 PHI 56 56 A 49 ASP N A 49 ASP CA A 49 ASP C A 50 GLY N 1.0 101.4 150.2 PSI 57 57 A 51 GLY C A 52 VAL N A 52 VAL CA A 52 VAL C 1.0 -163.6 -67.4 PHI 58 58 A 52 VAL N A 52 VAL CA A 52 VAL C A 53 VAL N 1.0 107.8 160.9 PSI 59 59 A 52 VAL C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -145.2 -57.8 PHI 60 60 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 SER N 1.0 90.0 156.4 PSI 61 61 A 54 SER C A 55 SER N A 55 SER CA A 55 SER C 1.0 -72.5 -46.3 PHI 62 62 A 55 SER N A 55 SER CA A 55 SER C A 56 ASP N 1.0 -47.4 -12.6 PSI 63 63 A 55 SER C A 56 ASP N A 56 ASP CA A 56 ASP C 1.0 -103.6 -63.1 PHI 64 64 A 56 ASP N A 56 ASP CA A 56 ASP C A 57 GLY N 1.0 -17.5 17.6 PSI 65 65 A 58 LYS C A 59 THR N A 59 THR CA A 59 THR C 1.0 -158.4 -90.6 PHI 66 66 A 59 THR N A 59 THR CA A 59 THR C A 60 VAL N 1.0 109.6 190.0 PSI 67 67 A 59 THR C A 60 VAL N A 60 VAL CA A 60 VAL C 1.0 -164.1 -108.2 PHI 68 68 A 60 VAL N A 60 VAL CA A 60 VAL C A 61 THR N 1.0 109.5 155.5 PSI 69 69 A 60 VAL C A 61 THR N A 61 THR CA A 61 THR C 1.0 -139.5 -57.3 PHI 70 70 A 61 THR N A 61 THR CA A 61 THR C A 62 ILE N 1.0 104.8 145.4 PSI 71 71 A 61 THR C A 62 ILE N A 62 ILE CA A 62 ILE C 1.0 -156.5 -82.1 PHI 72 72 A 62 ILE N A 62 ILE CA A 62 ILE C A 63 THR N 1.0 107.2 154.5 PSI 73 73 A 62 ILE C A 63 THR N A 63 THR CA A 63 THR C 1.0 -140.4 -79.9 PHI 74 74 A 63 THR N A 63 THR CA A 63 THR C A 64 PHE N 1.0 82.9 167.6 PSI 75 75 A 63 THR C A 64 PHE N A 64 PHE CA A 64 PHE C 1.0 -118.8 -48.5 PHI 76 76 A 64 PHE N A 64 PHE CA A 64 PHE C A 65 ALA N 1.0 115.2 155.1 PSI 77 77 A 64 PHE C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -153.2 -75.4 PHI 78 78 A 65 ALA N A 65 ALA CA A 65 ALA C A 66 ALA N 1.0 116.2 152.6 PSI 79 79 A 71 ASN C A 72 VAL N A 72 VAL CA A 72 VAL C 1.0 -170.8 -68.9 PHI 80 80 A 72 VAL N A 72 VAL CA A 72 VAL C A 73 VAL N 1.0 120.7 153.8 PSI 81 81 A 72 VAL C A 73 VAL N A 73 VAL CA A 73 VAL C 1.0 -137.4 -96.4 PHI 82 82 A 73 VAL N A 73 VAL CA A 73 VAL C A 74 ILE N 1.0 99.1 147.7 PSI 83 83 A 73 VAL C A 74 ILE N A 74 ILE CA A 74 ILE C 1.0 -133.0 -86.8 PHI 84 84 A 74 ILE N A 74 ILE CA A 74 ILE C A 75 HIS N 1.0 92.4 141.7 PSI 85 85 A 74 ILE C A 75 HIS N A 75 HIS CA A 75 HIS C 1.0 -129.3 -79.2 PHI 86 86 A 75 HIS N A 75 HIS CA A 75 HIS C A 76 LEU N 1.0 106.3 147.0 PSI 87 87 A 75 HIS C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -154.7 -97.4 PHI 88 88 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 LYS N 1.0 142.3 178.5 PSI 89 89 A 76 LEU C A 77 LYS N A 77 LYS CA A 77 LYS C 1.0 -167.9 -94.5 PHI 90 90 A 77 LYS N A 77 LYS CA A 77 LYS C A 78 HIS N 1.0 126.6 170.8 PSI 91 91 A 77 LYS C A 78 HIS N A 78 HIS CA A 78 HIS C 1.0 -96.0 -43.5 PHI 92 92 A 78 HIS N A 78 HIS CA A 78 HIS C A 79 GLY N 1.0 108.5 167.9 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 2 ASP N A 2 ASP H 1.0 . . . 2 2 A 3 GLU N A 3 GLU H 1.0 . . . 3 3 A 4 ASP N A 4 ASP H 1.0 . . . 4 4 A 5 ALA N A 5 ALA H 1.0 . . . 5 5 A 6 THR N A 6 THR H 1.0 . . . 6 6 A 7 ILE N A 7 ILE H 1.0 . . . 7 7 A 8 THR N A 8 THR H 1.0 . . . 8 8 A 9 TYR N A 9 TYR H 1.0 . . . 9 9 A 10 VAL N A 10 VAL H 1.0 . . . 10 10 A 11 ASP N A 11 ASP H 1.0 . . . 11 11 A 12 ASP N A 12 ASP H 1.0 . . . 12 12 A 13 ASP N A 13 ASP H 1.0 . . . 13 13 A 14 LYS N A 14 LYS H 1.0 . . . 14 14 A 15 GLY N A 15 GLY H 1.0 . . . 15 15 A 16 GLY N A 16 GLY H 1.0 . . . 16 16 A 18 GLN N A 18 GLN H 1.0 . . . 17 17 A 19 VAL N A 19 VAL H 1.0 . . . 18 18 A 20 GLY N A 20 GLY H 1.0 . . . 19 19 A 21 ASP N A 21 ASP H 1.0 . . . 20 20 A 23 VAL N A 23 VAL H 1.0 . . . 21 21 A 25 VAL N A 25 VAL H 1.0 . . . 22 22 A 26 THR N A 26 THR H 1.0 . . . 23 23 A 27 GLY N A 27 GLY H 1.0 . . . 24 24 A 29 THR N A 29 THR H 1.0 . . . 25 25 A 32 SER N A 32 SER H 1.0 . . . 26 26 A 33 THR N A 33 THR H 1.0 . . . 27 27 A 34 THR N A 34 THR H 1.0 . . . 28 28 A 35 TYR N A 35 TYR H 1.0 . . . 29 29 A 36 THR N A 36 THR H 1.0 . . . 30 30 A 37 VAL N A 37 VAL H 1.0 . . . 31 31 A 38 THR N A 38 THR H 1.0 . . . 32 32 A 39 ILE N A 39 ILE H 1.0 . . . 33 33 A 41 ASP N A 41 ASP H 1.0 . . . 34 34 A 42 GLY N A 42 GLY H 1.0 . . . 35 35 A 43 TYR N A 43 TYR H 1.0 . . . 36 36 A 44 GLU N A 44 GLU H 1.0 . . . 37 37 A 45 TYR N A 45 TYR H 1.0 . . . 38 38 A 46 VAL N A 46 VAL H 1.0 . . . 39 39 A 47 GLY N A 47 GLY H 1.0 . . . 40 40 A 48 THR N A 48 THR H 1.0 . . . 41 41 A 49 ASP N A 49 ASP H 1.0 . . . 42 42 A 51 GLY N A 51 GLY H 1.0 . . . 43 43 A 53 VAL N A 53 VAL H 1.0 . . . 44 44 A 54 SER N A 54 SER H 1.0 . . . 45 45 A 56 ASP N A 56 ASP H 1.0 . . . 46 46 A 59 THR N A 59 THR H 1.0 . . . 47 47 A 60 VAL N A 60 VAL H 1.0 . . . 48 48 A 61 THR N A 61 THR H 1.0 . . . 49 49 A 62 ILE N A 62 ILE H 1.0 . . . 50 50 A 63 THR N A 63 THR H 1.0 . . . 51 51 A 67 ASP N A 67 ASP H 1.0 . . . 52 52 A 70 ASP N A 70 ASP H 1.0 . . . 53 53 A 71 ASN N A 71 ASN H 1.0 . . . 54 54 A 72 VAL N A 72 VAL H 1.0 . . . 55 55 A 73 VAL N A 73 VAL H 1.0 . . . 56 56 A 74 ILE N A 74 ILE H 1.0 . . . 57 57 A 75 HIS N A 75 HIS H 1.0 . . . 58 58 A 76 LEU N A 76 LEU H 1.0 . . . 59 59 A 78 HIS N A 78 HIS H 1.0 . . . 60 60 A 79 GLY N A 79 GLY H 1.0 . . . 61 61 A 80 LEU N A 80 LEU H 1.0 . . . 62 62 A 2 ASP N A 2 ASP H 1.0 . . . 63 63 A 3 GLU N A 3 GLU H 1.0 . . . 64 64 A 4 ASP N A 4 ASP H 1.0 . . . 65 65 A 5 ALA N A 5 ALA H 1.0 . . . 66 66 A 6 THR N A 6 THR H 1.0 . . . 67 67 A 7 ILE N A 7 ILE H 1.0 . . . 68 68 A 8 THR N A 8 THR H 1.0 . . . 69 69 A 9 TYR N A 9 TYR H 1.0 . . . 70 70 A 10 VAL N A 10 VAL H 1.0 . . . 71 71 A 11 ASP N A 11 ASP H 1.0 . . . 72 72 A 12 ASP N A 12 ASP H 1.0 . . . 73 73 A 13 ASP N A 13 ASP H 1.0 . . . 74 74 A 14 LYS N A 14 LYS H 1.0 . . . 75 75 A 15 GLY N A 15 GLY H 1.0 . . . 76 76 A 16 GLY N A 16 GLY H 1.0 . . . 77 77 A 17 ALA N A 17 ALA H 1.0 . . . 78 78 A 18 GLN N A 18 GLN H 1.0 . . . 79 79 A 19 VAL N A 19 VAL H 1.0 . . . 80 80 A 20 GLY N A 20 GLY H 1.0 . . . 81 81 A 21 ASP N A 21 ASP H 1.0 . . . 82 82 A 23 VAL N A 23 VAL H 1.0 . . . 83 83 A 25 VAL N A 25 VAL H 1.0 . . . 84 84 A 26 THR N A 26 THR H 1.0 . . . 85 85 A 27 GLY N A 27 GLY H 1.0 . . . 86 86 A 29 THR N A 29 THR H 1.0 . . . 87 87 A 32 SER N A 32 SER H 1.0 . . . 88 88 A 33 THR N A 33 THR H 1.0 . . . 89 89 A 34 THR N A 34 THR H 1.0 . . . 90 90 A 35 TYR N A 35 TYR H 1.0 . . . 91 91 A 36 THR N A 36 THR H 1.0 . . . 92 92 A 37 VAL N A 37 VAL H 1.0 . . . 93 93 A 38 THR N A 38 THR H 1.0 . . . 94 94 A 39 ILE N A 39 ILE H 1.0 . . . 95 95 A 41 ASP N A 41 ASP H 1.0 . . . 96 96 A 42 GLY N A 42 GLY H 1.0 . . . 97 97 A 43 TYR N A 43 TYR H 1.0 . . . 98 98 A 44 GLU N A 44 GLU H 1.0 . . . 99 99 A 45 TYR N A 45 TYR H 1.0 . . . 100 100 A 46 VAL N A 46 VAL H 1.0 . . . 101 101 A 47 GLY N A 47 GLY H 1.0 . . . 102 102 A 48 THR N A 48 THR H 1.0 . . . 103 103 A 49 ASP N A 49 ASP H 1.0 . . . 104 104 A 50 GLY N A 50 GLY H 1.0 . . . 105 105 A 51 GLY N A 51 GLY H 1.0 . . . 106 106 A 52 VAL N A 52 VAL H 1.0 . . . 107 107 A 53 VAL N A 53 VAL H 1.0 . . . 108 108 A 54 SER N A 54 SER H 1.0 . . . 109 109 A 56 ASP N A 56 ASP H 1.0 . . . 110 110 A 57 GLY N A 57 GLY H 1.0 . . . 111 111 A 58 LYS N A 58 LYS H 1.0 . . . 112 112 A 59 THR N A 59 THR H 1.0 . . . 113 113 A 60 VAL N A 60 VAL H 1.0 . . . 114 114 A 61 THR N A 61 THR H 1.0 . . . 115 115 A 62 ILE N A 62 ILE H 1.0 . . . 116 116 A 63 THR N A 63 THR H 1.0 . . . 117 117 A 65 ALA N A 65 ALA H 1.0 . . . 118 118 A 67 ASP N A 67 ASP H 1.0 . . . 119 119 A 68 ASP N A 68 ASP H 1.0 . . . 120 120 A 69 SER N A 69 SER H 1.0 . . . 121 121 A 70 ASP N A 70 ASP H 1.0 . . . 122 122 A 71 ASN N A 71 ASN H 1.0 . . . 123 123 A 72 VAL N A 72 VAL H 1.0 . . . 124 124 A 73 VAL N A 73 VAL H 1.0 . . . 125 125 A 74 ILE N A 74 ILE H 1.0 . . . 126 126 A 75 HIS N A 75 HIS H 1.0 . . . 127 127 A 76 LEU N A 76 LEU H 1.0 . . . 128 128 A 77 LYS N A 77 LYS H 1.0 . . . 129 129 A 78 HIS N A 78 HIS H 1.0 . . . 130 130 A 79 GLY N A 79 GLY H 1.0 . . . 131 131 A 80 LEU N A 80 LEU H 1.0 . . . 132 132 A 81 GLU N A 81 GLU H 1.0 . . . stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 3306.886 2 1H 6613.713 3 15N 1897.532 stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 6613.713 2 1H 6613.713 3 13C 5704.330 stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 3306.886 2 1H 6613.713 3 13C 5704.330 stop_ save_