data_nef_c19792_2mks save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MKS 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 GLY start . false 2 A 2 HIS middle . . 3 A 3 MET middle . . 4 A 4 VAL middle . . 5 A 5 GLU middle . . 6 A 6 ALA middle . . 7 A 7 ASP middle . . 8 A 8 ARG middle . . 9 A 9 PRO middle . false 10 A 10 GLY middle . false 11 A 11 LYS middle . . 12 A 12 LEU middle . . 13 A 13 PHE middle . . 14 A 14 ILE middle . . 15 A 15 GLY middle . false 16 A 16 GLY middle . false 17 A 17 LEU middle . . 18 A 18 ASN middle . . 19 A 19 THR middle . . 20 A 20 GLU middle . . 21 A 21 THR middle . . 22 A 22 ASN middle . . 23 A 23 GLU middle . . 24 A 24 LYS middle . . 25 A 25 ALA middle . . 26 A 26 LEU middle . . 27 A 27 GLU middle . . 28 A 28 ALA middle . . 29 A 29 VAL middle . . 30 A 30 PHE middle . . 31 A 31 GLY middle . false 32 A 32 LYS middle . . 33 A 33 TYR middle . . 34 A 34 GLY middle . false 35 A 35 ARG middle . . 36 A 36 ILE middle . . 37 A 37 VAL middle . . 38 A 38 GLU middle . . 39 A 39 VAL middle . . 40 A 40 LEU middle . . 41 A 41 LEU middle . . 42 A 42 MET middle . . 43 A 43 LYS middle . . 44 A 44 ASP middle . . 45 A 45 ARG middle . . 46 A 46 GLU middle . . 47 A 47 THR middle . . 48 A 48 ASN middle . . 49 A 49 LYS middle . . 50 A 50 SER middle . . 51 A 51 ARG middle . . 52 A 52 GLY middle . false 53 A 53 PHE middle . . 54 A 54 ALA middle . . 55 A 55 PHE middle . . 56 A 56 VAL middle . . 57 A 57 THR middle . . 58 A 58 PHE middle . . 59 A 59 GLU middle . . 60 A 60 SER middle . . 61 A 61 PRO middle . false 62 A 62 ALA middle . . 63 A 63 ASP middle . . 64 A 64 ALA middle . . 65 A 65 LYS middle . . 66 A 66 ASP middle . . 67 A 67 ALA middle . . 68 A 68 ALA middle . . 69 A 69 ARG middle . . 70 A 70 ASP middle . . 71 A 71 MET middle . . 72 A 72 ASN middle . . 73 A 73 GLY middle . false 74 A 74 LYS middle . . 75 A 75 SER middle . . 76 A 76 LEU middle . . 77 A 77 ASP middle . . 78 A 78 GLY middle . false 79 A 79 LYS middle . . 80 A 80 ALA middle . . 81 A 81 ILE middle . . 82 A 82 LYS middle . . 83 A 83 VAL middle . . 84 A 84 GLU middle . . 85 A 85 GLN middle . . 86 A 86 ALA middle . . 87 A 87 THR middle . . 88 A 88 LYS middle . . 89 A 89 PRO middle . false 90 A 90 SER middle . . 91 A 91 PHE middle . . 92 A 92 GLU 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 2 HIS HA H 1 4.596 0.000 A 2 HIS HD2 H 1 7.022 0.000 A 2 HIS HE1 H 1 8.070 0.000 A 2 HIS C C 13 171.930 0.000 A 2 HIS CA C 13 52.879 0.000 A 2 HIS CB C 13 27.693 0.000 A 2 HIS CD2 C 13 117.060 0.000 A 2 HIS CE1 C 13 134.777 0.000 A 3 MET H H 1 8.407 0.000 A 3 MET HA H 1 4.365 0.000 A 3 MET HBx H 1 1.859 0.000 A 3 MET HE% H 1 1.959 0.000 A 3 MET C C 13 173.051 0.000 A 3 MET CA C 13 52.457 0.000 A 3 MET CB C 13 30.267 0.000 A 3 MET CE C 13 14.238 0.000 A 3 MET N N 15 122.778 0.000 A 4 VAL H H 1 8.170 0.000 A 4 VAL HA H 1 3.992 0.000 A 4 VAL HB H 1 1.924 0.000 A 4 VAL HGx% H 1 0.791 0.000 A 4 VAL C C 13 173.161 0.000 A 4 VAL CA C 13 59.189 0.000 A 4 VAL CB C 13 30.313 0.000 A 4 VAL CGx C 13 18.231 0.000 A 4 VAL N N 15 121.985 0.000 A 5 GLU H H 1 8.469 0.000 A 5 GLU HA H 1 4.162 0.000 A 5 GLU HBx H 1 1.791 0.000 A 5 GLU HBy H 1 1.892 0.000 A 5 GLU HGx H 1 2.140 0.000 A 5 GLU C C 13 173.208 0.000 A 5 GLU CA C 13 53.271 0.000 A 5 GLU CB C 13 27.861 0.000 A 5 GLU CG C 13 33.661 0.000 A 5 GLU N N 15 124.990 0.000 A 6 ALA H H 1 8.229 0.000 A 6 ALA HA H 1 4.135 0.000 A 6 ALA HB% H 1 1.252 0.000 A 6 ALA C C 13 174.516 0.000 A 6 ALA CA C 13 49.571 0.000 A 6 ALA CB C 13 16.604 0.000 A 6 ALA N N 15 124.750 0.000 A 7 ASP H H 1 8.172 0.000 A 7 ASP HA H 1 4.430 0.000 A 7 ASP HBy H 1 2.487 0.000 A 7 ASP HBx H 1 2.435 0.000 A 7 ASP C C 13 173.005 0.000 A 7 ASP CA C 13 51.032 0.000 A 7 ASP CB C 13 38.658 0.000 A 7 ASP N N 15 119.477 0.000 A 8 ARG H H 1 8.168 0.000 A 8 ARG HA H 1 4.103 0.000 A 8 ARG HBx H 1 1.728 0.000 A 8 ARG HBy H 1 1.728 0.000 A 8 ARG HDx H 1 3.139 0.000 A 8 ARG HDy H 1 3.139 0.000 A 8 ARG HGx H 1 1.594 0.000 A 8 ARG HGy H 1 1.594 0.000 A 8 ARG CA C 13 54.708 0.000 A 8 ARG CB C 13 27.813 0.000 A 8 ARG CD C 13 40.508 0.000 A 8 ARG CG C 13 25.060 0.000 A 8 ARG N N 15 121.454 0.000 A 9 PRO HA H 1 4.413 0.000 A 9 PRO HBx H 1 2.252 0.000 A 9 PRO HDy H 1 3.698 0.000 A 9 PRO HDx H 1 3.565 0.000 A 9 PRO HGx H 1 1.785 0.000 A 9 PRO HGy H 1 1.785 0.000 A 9 PRO C C 13 174.662 0.000 A 9 PRO CA C 13 60.806 0.000 A 9 PRO CB C 13 29.471 0.000 A 9 PRO CD C 13 47.671 0.000 A 9 PRO CG C 13 29.316 0.000 A 10 GLY H H 1 8.769 0.000 A 10 GLY HAx H 1 3.849 0.000 A 10 GLY HAy H 1 3.849 0.000 A 10 GLY C C 13 169.715 0.000 A 10 GLY CA C 13 42.529 0.000 A 10 GLY N N 15 108.287 0.000 A 11 LYS H H 1 7.753 0.000 A 11 LYS HA H 1 4.864 0.000 A 11 LYS HBy H 1 1.923 0.000 A 11 LYS HBx H 1 1.490 0.000 A 11 LYS HDx H 1 1.348 0.000 A 11 LYS HGy H 1 1.348 0.000 A 11 LYS C C 13 172.419 0.000 A 11 LYS CA C 13 53.417 0.000 A 11 LYS CB C 13 32.058 0.000 A 11 LYS CD C 13 27.105 0.000 A 11 LYS N N 15 122.177 0.000 A 12 LEU H H 1 9.465 0.000 A 12 LEU HA H 1 4.939 0.000 A 12 LEU HBy H 1 1.705 0.000 A 12 LEU HBx H 1 1.140 0.000 A 12 LEU HDx% H 1 0.827 0.000 A 12 LEU HDy% H 1 0.659 0.000 A 12 LEU HG H 1 1.771 0.000 A 12 LEU C C 13 173.185 0.000 A 12 LEU CA C 13 50.301 0.000 A 12 LEU CB C 13 42.075 0.000 A 12 LEU CDy C 13 23.867 0.000 A 12 LEU CDx C 13 20.174 0.000 A 12 LEU CG C 13 23.715 0.000 A 12 LEU N N 15 127.116 0.000 A 13 PHE H H 1 9.213 0.000 A 13 PHE HA H 1 4.712 0.000 A 13 PHE HBy H 1 2.974 0.000 A 13 PHE HBx H 1 2.753 0.000 A 13 PHE HDx H 1 6.781 0.000 A 13 PHE HDy H 1 6.781 0.000 A 13 PHE HEx H 1 7.423 0.000 A 13 PHE HEy H 1 7.423 0.000 A 13 PHE C C 13 170.330 0.000 A 13 PHE CA C 13 54.041 0.000 A 13 PHE CB C 13 38.520 0.000 A 13 PHE CDx C 13 129.133 0.000 A 13 PHE CDy C 13 129.133 0.000 A 13 PHE CEy C 13 128.738 0.000 A 13 PHE N N 15 122.922 0.000 A 14 ILE H H 1 8.304 0.000 A 14 ILE HA H 1 4.815 0.000 A 14 ILE HB H 1 1.334 0.000 A 14 ILE HD1% H 1 0.125 0.000 A 14 ILE HG1x H 1 0.846 0.000 A 14 ILE HG1y H 1 0.968 0.000 A 14 ILE HG2% H 1 0.665 0.000 A 14 ILE C C 13 171.441 0.000 A 14 ILE CA C 13 55.411 0.000 A 14 ILE CB C 13 36.448 0.000 A 14 ILE CD1 C 13 12.097 0.000 A 14 ILE CG1 C 13 25.697 0.000 A 14 ILE CG2 C 13 16.915 0.000 A 14 ILE N N 15 128.128 0.000 A 15 GLY H H 1 8.965 0.000 A 15 GLY HAx H 1 3.540 0.000 A 15 GLY HAy H 1 4.640 0.000 A 15 GLY C C 13 170.863 0.000 A 15 GLY CA C 13 40.913 0.000 A 15 GLY N N 15 110.945 0.000 A 16 GLY H H 1 7.865 0.000 A 16 GLY HAy H 1 4.069 0.000 A 16 GLY HAx H 1 3.591 0.000 A 16 GLY C C 13 172.134 0.000 A 16 GLY CA C 13 42.862 0.000 A 16 GLY N N 15 107.025 0.000 A 17 LEU H H 1 7.521 0.000 A 17 LEU HA H 1 3.912 0.000 A 17 LEU HBy H 1 1.251 0.000 A 17 LEU HBx H 1 0.947 0.000 A 17 LEU HDx% H 1 0.315 0.000 A 17 LEU HDy% H 1 0.731 0.000 A 17 LEU HG H 1 1.117 0.000 A 17 LEU C C 13 176.024 0.000 A 17 LEU CA C 13 51.583 0.000 A 17 LEU CB C 13 40.169 0.000 A 17 LEU CDy C 13 23.817 0.000 A 17 LEU CDx C 13 21.844 0.000 A 17 LEU CG C 13 24.163 0.000 A 17 LEU N N 15 115.104 0.000 A 18 ASN H H 1 9.528 0.000 A 18 ASN HA H 1 4.386 0.000 A 18 ASN HBx H 1 2.482 0.000 A 18 ASN HBy H 1 3.396 0.000 A 18 ASN HD2x H 1 7.068 0.000 A 18 ASN HD2y H 1 8.089 0.000 A 18 ASN C C 13 176.199 0.000 A 18 ASN CA C 13 50.302 0.000 A 18 ASN CB C 13 35.692 0.000 A 18 ASN N N 15 120.666 0.000 A 18 ASN ND2 N 15 113.698 0.000 A 19 THR H H 1 8.809 0.000 A 19 THR HA H 1 3.699 0.000 A 19 THR HB H 1 4.279 0.000 A 19 THR HG2% H 1 1.155 0.000 A 19 THR C C 13 172.195 0.000 A 19 THR CA C 13 62.512 0.000 A 19 THR CB C 13 65.438 0.000 A 19 THR CG2 C 13 19.365 0.000 A 19 THR N N 15 123.230 0.000 A 20 GLU H H 1 8.703 0.000 A 20 GLU HA H 1 4.176 0.000 A 20 GLU HBy H 1 2.046 0.000 A 20 GLU HBx H 1 1.595 0.000 A 20 GLU HGx H 1 1.972 0.000 A 20 GLU C C 13 174.826 0.000 A 20 GLU CA C 13 53.181 0.000 A 20 GLU CB C 13 27.076 0.000 A 20 GLU CG C 13 29.199 0.000 A 20 GLU N N 15 118.055 0.000 A 21 THR H H 1 7.514 0.000 A 21 THR HA H 1 3.930 0.000 A 21 THR HB H 1 3.810 0.000 A 21 THR HG2% H 1 1.134 0.000 A 21 THR C C 13 171.688 0.000 A 21 THR CA C 13 61.882 0.000 A 21 THR CB C 13 65.397 0.000 A 21 THR CG2 C 13 19.971 0.000 A 21 THR N N 15 119.209 0.000 A 22 ASN H H 1 8.031 0.000 A 22 ASN HA H 1 4.769 0.000 A 22 ASN HBx H 1 2.782 0.000 A 22 ASN HBy H 1 3.211 0.000 A 22 ASN HD2x H 1 6.678 0.000 A 22 ASN HD2y H 1 7.670 0.000 A 22 ASN C C 13 172.032 0.000 A 22 ASN CA C 13 47.706 0.000 A 22 ASN CB C 13 37.373 0.000 A 22 ASN N N 15 126.624 0.000 A 22 ASN ND2 N 15 111.427 0.000 A 23 GLU H H 1 10.151 0.000 A 23 GLU HA H 1 3.567 0.000 A 23 GLU HBy H 1 1.967 0.000 A 23 GLU HBx H 1 1.860 0.000 A 23 GLU HGy H 1 2.535 0.000 A 23 GLU HGx H 1 1.977 0.000 A 23 GLU CA C 13 58.784 0.000 A 23 GLU CB C 13 25.862 0.000 A 23 GLU CG C 13 35.055 0.000 A 23 GLU N N 15 118.056 0.000 A 24 LYS H H 1 7.839 0.000 A 24 LYS HA H 1 4.005 0.000 A 24 LYS HBy H 1 1.932 0.000 A 24 LYS HBx H 1 1.790 0.000 A 24 LYS HDx H 1 2.020 0.000 A 24 LYS HDy H 1 2.020 0.000 A 24 LYS HGy H 1 1.733 0.000 A 24 LYS C C 13 176.843 0.000 A 24 LYS CA C 13 55.731 0.000 A 24 LYS CB C 13 29.371 0.000 A 24 LYS CG C 13 28.773 0.000 A 24 LYS N N 15 118.897 0.000 A 25 ALA H H 1 7.827 0.000 A 25 ALA HA H 1 4.169 0.000 A 25 ALA HB% H 1 1.533 0.000 A 25 ALA C C 13 178.048 0.000 A 25 ALA CA C 13 51.868 0.000 A 25 ALA CB C 13 16.139 0.000 A 25 ALA N N 15 123.210 0.000 A 26 LEU H H 1 7.652 0.000 A 26 LEU HA H 1 4.024 0.000 A 26 LEU HBy H 1 1.958 0.000 A 26 LEU HBx H 1 1.032 0.000 A 26 LEU HDx% H 1 0.641 0.000 A 26 LEU HDy% H 1 0.410 0.000 A 26 LEU HG H 1 1.599 0.000 A 26 LEU C C 13 176.375 0.000 A 26 LEU CA C 13 54.958 0.000 A 26 LEU CB C 13 39.701 0.000 A 26 LEU CDx C 13 20.794 0.000 A 26 LEU CDy C 13 22.940 0.000 A 26 LEU CG C 13 23.818 0.000 A 26 LEU N N 15 116.466 0.000 A 27 GLU H H 1 8.480 0.000 A 27 GLU HA H 1 3.591 0.000 A 27 GLU HBx H 1 2.041 0.000 A 27 GLU HGx H 1 2.047 0.000 A 27 GLU HGy H 1 2.189 0.000 A 27 GLU C C 13 176.206 0.000 A 27 GLU CA C 13 57.072 0.000 A 27 GLU CB C 13 27.067 0.000 A 27 GLU CG C 13 33.865 0.000 A 27 GLU N N 15 119.789 0.000 A 28 ALA H H 1 7.837 0.000 A 28 ALA HA H 1 4.039 0.000 A 28 ALA HB% H 1 1.451 0.000 A 28 ALA C C 13 177.506 0.000 A 28 ALA CA C 13 51.907 0.000 A 28 ALA CB C 13 15.407 0.000 A 28 ALA N N 15 120.599 0.000 A 29 VAL H H 1 7.626 0.000 A 29 VAL HA H 1 3.826 0.000 A 29 VAL HB H 1 1.921 0.000 A 29 VAL HGx% H 1 0.969 0.000 A 29 VAL HGy% H 1 0.612 0.000 A 29 VAL C C 13 174.998 0.000 A 29 VAL CA C 13 61.999 0.000 A 29 VAL CB C 13 29.878 0.000 A 29 VAL CGy C 13 19.569 0.000 A 29 VAL CGx C 13 18.168 0.000 A 29 VAL N N 15 115.536 0.000 A 30 PHE H H 1 8.514 0.000 A 30 PHE HA H 1 4.482 0.000 A 30 PHE HBx H 1 2.932 0.000 A 30 PHE HBy H 1 3.221 0.000 A 30 PHE HDx H 1 7.513 0.000 A 30 PHE HDy H 1 7.513 0.000 A 30 PHE HEx H 1 6.868 0.000 A 30 PHE HEy H 1 6.868 0.000 A 30 PHE HZ H 1 6.923 0.000 A 30 PHE C C 13 174.725 0.000 A 30 PHE CA C 13 59.628 0.000 A 30 PHE CB C 13 35.394 0.000 A 30 PHE CDx C 13 128.560 0.000 A 30 PHE CEx C 13 127.683 0.000 A 30 PHE CZ C 13 126.221 0.000 A 30 PHE N N 15 115.465 0.000 A 31 GLY H H 1 8.294 0.000 A 31 GLY HAy H 1 4.311 0.000 A 31 GLY HAx H 1 3.970 0.000 A 31 GLY C C 13 172.455 0.000 A 31 GLY CA C 13 43.505 0.000 A 31 GLY N N 15 108.299 0.000 A 32 LYS H H 1 6.846 0.000 A 32 LYS HA H 1 3.926 0.000 A 32 LYS HBy H 1 1.433 0.000 A 32 LYS HBx H 1 1.281 0.000 A 32 LYS HDx H 1 1.352 0.000 A 32 LYS HDy H 1 1.352 0.000 A 32 LYS HEx H 1 2.725 0.000 A 32 LYS HEy H 1 2.725 0.000 A 32 LYS HGy H 1 0.950 0.000 A 32 LYS HGx H 1 0.780 0.000 A 32 LYS C C 13 174.779 0.000 A 32 LYS CA C 13 54.700 0.000 A 32 LYS CB C 13 28.935 0.000 A 32 LYS CD C 13 26.013 0.000 A 32 LYS CE C 13 39.039 0.000 A 32 LYS CG C 13 20.600 0.000 A 32 LYS N N 15 117.309 0.000 A 33 TYR H H 1 7.593 0.000 A 33 TYR HA H 1 4.117 0.000 A 33 TYR HBy H 1 3.096 0.000 A 33 TYR HBx H 1 2.862 0.000 A 33 TYR HDx H 1 7.382 0.000 A 33 TYR HDy H 1 7.382 0.000 A 33 TYR HEx H 1 6.555 0.000 A 33 TYR HEy H 1 6.555 0.000 A 33 TYR C C 13 171.935 0.000 A 33 TYR CA C 13 56.609 0.000 A 33 TYR CB C 13 35.735 0.000 A 33 TYR CDx C 13 130.520 0.000 A 33 TYR CDy C 13 130.520 0.000 A 33 TYR CEx C 13 115.285 0.000 A 33 TYR CEy C 13 115.285 0.000 A 33 TYR N N 15 115.635 0.000 A 34 GLY H H 1 7.253 0.000 A 34 GLY HAy H 1 4.851 0.000 A 34 GLY HAx H 1 3.726 0.000 A 34 GLY C C 13 168.962 0.000 A 34 GLY CA C 13 41.563 0.000 A 34 GLY N N 15 104.503 0.000 A 35 ARG H H 1 8.196 0.000 A 35 ARG HA H 1 4.115 0.000 A 35 ARG C C 13 174.272 0.000 A 35 ARG CA C 13 54.785 0.000 A 35 ARG CB C 13 27.958 0.000 A 35 ARG N N 15 116.679 0.000 A 36 ILE H H 1 8.760 0.000 A 36 ILE HA H 1 3.827 0.000 A 36 ILE HB H 1 1.517 0.000 A 36 ILE HD1% H 1 0.290 0.000 A 36 ILE HG1y H 1 1.441 0.000 A 36 ILE HG1x H 1 -0.094 0.000 A 36 ILE HG2% H 1 0.391 0.000 A 36 ILE C C 13 173.725 0.000 A 36 ILE CA C 13 57.740 0.000 A 36 ILE CB C 13 37.006 0.000 A 36 ILE CD1 C 13 10.741 0.000 A 36 ILE CG1 C 13 25.091 0.000 A 36 ILE CG2 C 13 15.216 0.000 A 36 ILE N N 15 128.885 0.000 A 37 VAL H H 1 8.751 0.000 A 37 VAL HA H 1 4.083 0.000 A 37 VAL HB H 1 1.787 0.000 A 37 VAL HGx% H 1 0.745 0.000 A 37 VAL HGy% H 1 0.618 0.000 A 37 VAL C C 13 172.917 0.000 A 37 VAL CA C 13 59.346 0.000 A 37 VAL CB C 13 30.375 0.000 A 37 VAL CGy C 13 18.343 0.000 A 37 VAL CGx C 13 16.959 0.000 A 37 VAL N N 15 122.612 0.000 A 38 GLU H H 1 7.075 0.000 A 38 GLU HA H 1 4.368 0.000 A 38 GLU HBy H 1 1.903 0.000 A 38 GLU HBx H 1 1.735 0.000 A 38 GLU HGx H 1 1.744 0.000 A 38 GLU HGy H 1 2.039 0.000 A 38 GLU C C 13 170.647 0.000 A 38 GLU CA C 13 53.636 0.000 A 38 GLU CB C 13 31.112 0.000 A 38 GLU CG C 13 34.078 0.000 A 38 GLU N N 15 118.683 0.000 A 39 VAL H H 1 8.509 0.000 A 39 VAL HA H 1 4.319 0.000 A 39 VAL HB H 1 1.908 0.000 A 39 VAL HGx% H 1 0.705 0.000 A 39 VAL HGy% H 1 0.757 0.000 A 39 VAL C C 13 170.693 0.000 A 39 VAL CA C 13 59.056 0.000 A 39 VAL CB C 13 31.077 0.000 A 39 VAL CGx C 13 18.765 0.000 A 39 VAL CGy C 13 18.958 0.000 A 39 VAL N N 15 125.880 0.000 A 40 LEU H H 1 8.928 0.000 A 40 LEU HA H 1 4.675 0.000 A 40 LEU HBy H 1 1.744 0.000 A 40 LEU HBx H 1 1.342 0.000 A 40 LEU HDx% H 1 0.784 0.000 A 40 LEU HDy% H 1 0.708 0.000 A 40 LEU C C 13 171.627 0.000 A 40 LEU CA C 13 50.744 0.000 A 40 LEU CB C 13 42.066 0.000 A 40 LEU CDx C 13 22.517 0.000 A 40 LEU CDy C 13 23.199 0.000 A 40 LEU N N 15 129.331 0.000 A 41 LEU H H 1 9.023 0.000 A 41 LEU HA H 1 4.340 0.000 A 41 LEU HBy H 1 1.737 0.000 A 41 LEU HBx H 1 0.853 0.000 A 41 LEU HDx% H 1 0.731 0.000 A 41 LEU HDy% H 1 0.662 0.000 A 41 LEU HG H 1 1.237 0.000 A 41 LEU C C 13 172.935 0.000 A 41 LEU CA C 13 50.876 0.000 A 41 LEU CB C 13 41.547 0.000 A 41 LEU CDy C 13 23.550 0.000 A 41 LEU CDx C 13 20.916 0.000 A 41 LEU CG C 13 24.473 0.000 A 41 LEU N N 15 128.574 0.000 A 42 MET H H 1 7.988 0.000 A 42 MET HA H 1 4.357 0.000 A 42 MET HBy H 1 1.347 0.000 A 42 MET HBx H 1 1.123 0.000 A 42 MET HE% H 1 2.008 0.000 A 42 MET HGx H 1 2.082 0.000 A 42 MET HGy H 1 2.252 0.000 A 42 MET C C 13 172.606 0.000 A 42 MET CA C 13 51.857 0.000 A 42 MET CB C 13 27.700 0.000 A 42 MET CE C 13 14.190 0.000 A 42 MET CG C 13 29.557 0.000 A 42 MET N N 15 125.617 0.000 A 43 LYS H H 1 8.289 0.000 A 43 LYS HA H 1 4.759 0.000 A 43 LYS HBx H 1 1.272 0.000 A 43 LYS HBy H 1 1.406 0.000 A 43 LYS HDx H 1 1.391 0.000 A 43 LYS HDy H 1 1.490 0.000 A 43 LYS HEx H 1 2.790 0.000 A 43 LYS HEy H 1 2.790 0.000 A 43 LYS HGx H 1 0.910 0.000 A 43 LYS HGy H 1 1.229 0.000 A 43 LYS C C 13 173.591 0.000 A 43 LYS CA C 13 51.608 0.000 A 43 LYS CB C 13 33.447 0.000 A 43 LYS CD C 13 26.287 0.000 A 43 LYS CE C 13 39.577 0.000 A 43 LYS CG C 13 22.194 0.000 A 43 LYS N N 15 121.956 0.000 A 44 ASP H H 1 8.693 0.000 A 44 ASP HA H 1 4.471 0.000 A 44 ASP HBy H 1 2.877 0.000 A 44 ASP HBx H 1 2.456 0.000 A 44 ASP C C 13 174.790 0.000 A 44 ASP CA C 13 51.279 0.000 A 44 ASP CB C 13 40.177 0.000 A 44 ASP N N 15 123.608 0.000 A 45 ARG H H 1 8.875 0.000 A 45 ARG HA H 1 3.976 0.000 A 45 ARG HBx H 1 1.826 0.000 A 45 ARG HBy H 1 1.826 0.000 A 45 ARG HDx H 1 3.145 0.000 A 45 ARG HDy H 1 3.145 0.000 A 45 ARG HGx H 1 1.614 0.000 A 45 ARG HGy H 1 1.614 0.000 A 45 ARG C C 13 174.578 0.000 A 45 ARG CA C 13 55.637 0.000 A 45 ARG CB C 13 27.544 0.000 A 45 ARG CD C 13 40.505 0.000 A 45 ARG CG C 13 24.382 0.000 A 45 ARG N N 15 126.884 0.000 A 46 GLU H H 1 8.561 0.000 A 46 GLU HA H 1 4.182 0.000 A 46 GLU HBy H 1 2.078 0.000 A 46 GLU HBx H 1 2.031 0.000 A 46 GLU HGx H 1 2.138 0.000 A 46 GLU HGy H 1 2.224 0.000 A 46 GLU C C 13 175.625 0.000 A 46 GLU CA C 13 55.628 0.000 A 46 GLU CB C 13 27.597 0.000 A 46 GLU CG C 13 33.775 0.000 A 46 GLU N N 15 117.313 0.000 A 47 THR H H 1 8.053 0.000 A 47 THR HA H 1 4.277 0.000 A 47 THR HB H 1 4.263 0.000 A 47 THR HG2% H 1 1.113 0.000 A 47 THR C C 13 173.242 0.000 A 47 THR CA C 13 58.709 0.000 A 47 THR CB C 13 67.971 0.000 A 47 THR CG2 C 13 18.407 0.000 A 47 THR N N 15 107.019 0.000 A 48 ASN H H 1 8.230 0.000 A 48 ASN HA H 1 4.335 0.000 A 48 ASN HBx H 1 2.705 0.000 A 48 ASN HBy H 1 3.072 0.000 A 48 ASN HD2x H 1 6.743 0.000 A 48 ASN HD2y H 1 7.431 0.000 A 48 ASN C C 13 171.106 0.000 A 48 ASN CA C 13 52.130 0.000 A 48 ASN CB C 13 35.645 0.000 A 48 ASN N N 15 117.468 0.000 A 48 ASN ND2 N 15 112.229 0.000 A 49 LYS H H 1 7.517 0.000 A 49 LYS HA H 1 4.296 0.000 A 49 LYS HBy H 1 1.736 0.000 A 49 LYS HBx H 1 1.572 0.000 A 49 LYS HDx H 1 1.591 0.000 A 49 LYS HEx H 1 2.915 0.000 A 49 LYS HEy H 1 2.915 0.000 A 49 LYS HGx H 1 1.368 0.000 A 49 LYS HGy H 1 1.368 0.000 A 49 LYS C C 13 173.910 0.000 A 49 LYS CA C 13 52.763 0.000 A 49 LYS CB C 13 31.039 0.000 A 49 LYS CD C 13 26.111 0.000 A 49 LYS CE C 13 39.437 0.000 A 49 LYS CG C 13 22.155 0.000 A 49 LYS N N 15 117.523 0.000 A 50 SER H H 1 8.705 0.000 A 50 SER HA H 1 4.197 0.000 A 50 SER HBx H 1 3.935 0.000 A 50 SER HBy H 1 3.935 0.000 A 50 SER C C 13 173.417 0.000 A 50 SER CA C 13 55.614 0.000 A 50 SER CB C 13 61.524 0.000 A 50 SER N N 15 115.960 0.000 A 51 ARG H H 1 9.023 0.000 A 51 ARG HA H 1 4.308 0.000 A 51 ARG HBy H 1 2.267 0.000 A 51 ARG HBx H 1 1.074 0.000 A 51 ARG HDx H 1 2.782 0.000 A 51 ARG HDy H 1 3.118 0.000 A 51 ARG HGx H 1 1.493 0.000 A 51 ARG HGy H 1 1.658 0.000 A 51 ARG C C 13 174.657 0.000 A 51 ARG CA C 13 53.393 0.000 A 51 ARG CB C 13 28.779 0.000 A 51 ARG CD C 13 41.235 0.000 A 51 ARG CG C 13 24.771 0.000 A 51 ARG N N 15 124.058 0.000 A 52 GLY H H 1 9.129 0.000 A 52 GLY HAy H 1 3.999 0.000 A 52 GLY HAx H 1 3.112 0.000 A 52 GLY C C 13 168.863 0.000 A 52 GLY CA C 13 42.919 0.000 A 52 GLY N N 15 106.703 0.000 A 53 PHE H H 1 6.845 0.000 A 53 PHE HA H 1 5.243 0.000 A 53 PHE HBy H 1 3.091 0.000 A 53 PHE HBx H 1 2.709 0.000 A 53 PHE HDx H 1 6.866 0.000 A 53 PHE HDy H 1 6.866 0.000 A 53 PHE HEx H 1 7.319 0.000 A 53 PHE HEy H 1 7.319 0.000 A 53 PHE HZ H 1 7.270 0.000 A 53 PHE C C 13 169.552 0.000 A 53 PHE CA C 13 52.095 0.000 A 53 PHE CB C 13 38.914 0.000 A 53 PHE CDy C 13 130.137 0.000 A 53 PHE CEy C 13 128.554 0.000 A 53 PHE CZ C 13 126.826 0.000 A 53 PHE N N 15 112.307 0.000 A 54 ALA H H 1 8.970 0.000 A 54 ALA HA H 1 4.894 0.000 A 54 ALA HB% H 1 0.875 0.000 A 54 ALA C C 13 171.062 0.000 A 54 ALA CA C 13 47.049 0.000 A 54 ALA CB C 13 22.826 0.000 A 54 ALA N N 15 120.987 0.000 A 55 PHE H H 1 8.837 0.000 A 55 PHE HA H 1 5.768 0.000 A 55 PHE HBy H 1 2.785 0.000 A 55 PHE HBx H 1 2.644 0.000 A 55 PHE HDx H 1 7.132 0.000 A 55 PHE HDy H 1 7.132 0.000 A 55 PHE HEx H 1 7.090 0.000 A 55 PHE HEy H 1 7.090 0.000 A 55 PHE C C 13 173.605 0.000 A 55 PHE CA C 13 53.080 0.000 A 55 PHE CB C 13 40.029 0.000 A 55 PHE CDy C 13 129.377 0.000 A 55 PHE CEy C 13 128.633 0.000 A 55 PHE CZ C 13 128.647 0.000 A 55 PHE N N 15 114.157 0.000 A 56 VAL H H 1 8.558 0.000 A 56 VAL HA H 1 4.474 0.000 A 56 VAL HB H 1 1.277 0.000 A 56 VAL HGx% H 1 0.334 0.000 A 56 VAL HGy% H 1 0.233 0.000 A 56 VAL C C 13 171.401 0.000 A 56 VAL CA C 13 57.848 0.000 A 56 VAL CB C 13 32.527 0.000 A 56 VAL CGy C 13 18.997 0.000 A 56 VAL CGx C 13 18.694 0.000 A 56 VAL N N 15 123.812 0.000 A 57 THR H H 1 8.808 0.000 A 57 THR HA H 1 4.974 0.000 A 57 THR HB H 1 3.687 0.000 A 57 THR HG2% H 1 0.875 0.000 A 57 THR C C 13 171.340 0.000 A 57 THR CA C 13 58.659 0.000 A 57 THR CB C 13 66.662 0.000 A 57 THR CG2 C 13 18.846 0.000 A 57 THR N N 15 123.000 0.000 A 58 PHE H H 1 8.835 0.000 A 58 PHE HA H 1 4.683 0.000 A 58 PHE HBy H 1 3.606 0.000 A 58 PHE HBx H 1 2.660 0.000 A 58 PHE HDx H 1 7.158 0.000 A 58 PHE HDy H 1 7.158 0.000 A 58 PHE HEx H 1 7.555 0.000 A 58 PHE HEy H 1 7.555 0.000 A 58 PHE C C 13 172.367 0.000 A 58 PHE CA C 13 55.449 0.000 A 58 PHE CB C 13 37.909 0.000 A 58 PHE CDx C 13 128.717 0.000 A 58 PHE CEx C 13 126.743 0.000 A 58 PHE N N 15 128.385 0.000 A 59 GLU H H 1 8.067 0.000 A 59 GLU HA H 1 3.766 0.000 A 59 GLU HBy H 1 2.071 0.000 A 59 GLU HBx H 1 1.761 0.000 A 59 GLU C C 13 173.666 0.000 A 59 GLU CA C 13 56.293 0.000 A 59 GLU CB C 13 27.787 0.000 A 59 GLU N N 15 121.627 0.000 A 60 SER H H 1 9.333 0.000 A 60 SER HA H 1 5.163 0.000 A 60 SER HBx H 1 3.903 0.000 A 60 SER HBy H 1 3.903 0.000 A 60 SER CA C 13 50.137 0.000 A 60 SER CB C 13 61.350 0.000 A 60 SER N N 15 112.302 0.000 A 61 PRO HA H 1 3.998 0.000 A 61 PRO HBy H 1 2.143 0.000 A 61 PRO HBx H 1 1.786 0.000 A 61 PRO HDy H 1 4.020 0.000 A 61 PRO HDx H 1 3.931 0.000 A 61 PRO HGx H 1 1.744 0.000 A 61 PRO HGy H 1 2.120 0.000 A 61 PRO CA C 13 61.850 0.000 A 61 PRO CB C 13 29.391 0.000 A 61 PRO CD C 13 48.543 0.000 A 61 PRO CG C 13 25.146 0.000 A 62 ALA H H 1 7.821 0.000 A 62 ALA HA H 1 3.932 0.000 A 62 ALA HB% H 1 1.300 0.000 A 62 ALA C C 13 176.826 0.000 A 62 ALA CA C 13 52.266 0.000 A 62 ALA CB C 13 15.618 0.000 A 62 ALA N N 15 121.088 0.000 A 63 ASP H H 1 6.960 0.000 A 63 ASP HA H 1 4.092 0.000 A 63 ASP HBx H 1 2.388 0.000 A 63 ASP HBy H 1 2.654 0.000 A 63 ASP C C 13 174.505 0.000 A 63 ASP CA C 13 53.809 0.000 A 63 ASP CB C 13 37.374 0.000 A 63 ASP N N 15 120.099 0.000 A 64 ALA H H 1 6.771 0.000 A 64 ALA HA H 1 3.141 0.000 A 64 ALA HB% H 1 1.370 0.000 A 64 ALA C C 13 176.037 0.000 A 64 ALA CA C 13 51.399 0.000 A 64 ALA CB C 13 15.565 0.000 A 64 ALA N N 15 119.533 0.000 A 65 LYS H H 1 7.478 0.000 A 65 LYS HA H 1 3.727 0.000 A 65 LYS HBx H 1 1.796 0.000 A 65 LYS HBy H 1 1.796 0.000 A 65 LYS HDx H 1 1.582 0.000 A 65 LYS HDy H 1 1.582 0.000 A 65 LYS HEx H 1 2.863 0.000 A 65 LYS HEy H 1 2.863 0.000 A 65 LYS HGy H 1 1.476 0.000 A 65 LYS HGx H 1 1.282 0.000 A 65 LYS C C 13 176.716 0.000 A 65 LYS CA C 13 56.684 0.000 A 65 LYS CB C 13 29.183 0.000 A 65 LYS CD C 13 26.604 0.000 A 65 LYS CE C 13 39.341 0.000 A 65 LYS CG C 13 22.423 0.000 A 65 LYS N N 15 117.395 0.000 A 66 ASP H H 1 7.403 0.000 A 66 ASP HA H 1 4.183 0.000 A 66 ASP HBx H 1 2.611 0.000 A 66 ASP HBy H 1 2.833 0.000 A 66 ASP C C 13 175.111 0.000 A 66 ASP CA C 13 54.430 0.000 A 66 ASP CB C 13 37.720 0.000 A 66 ASP N N 15 120.839 0.000 A 67 ALA H H 1 7.737 0.000 A 67 ALA HA H 1 2.160 0.000 A 67 ALA HB% H 1 0.942 0.000 A 67 ALA C C 13 176.448 0.000 A 67 ALA CA C 13 51.299 0.000 A 67 ALA CB C 13 17.253 0.000 A 67 ALA N N 15 122.056 0.000 A 68 ALA H H 1 8.108 0.000 A 68 ALA HA H 1 3.699 0.000 A 68 ALA HB% H 1 1.258 0.000 A 68 ALA C C 13 176.619 0.000 A 68 ALA CA C 13 52.280 0.000 A 68 ALA CB C 13 14.849 0.000 A 68 ALA N N 15 118.624 0.000 A 69 ARG H H 1 7.599 0.000 A 69 ARG HA H 1 3.932 0.000 A 69 ARG HBx H 1 1.848 0.000 A 69 ARG HDx H 1 3.134 0.000 A 69 ARG HDy H 1 3.199 0.000 A 69 ARG HGy H 1 1.675 0.000 A 69 ARG HGx H 1 1.535 0.000 A 69 ARG C C 13 175.857 0.000 A 69 ARG CA C 13 55.734 0.000 A 69 ARG CB C 13 27.249 0.000 A 69 ARG CD C 13 40.546 0.000 A 69 ARG CG C 13 24.298 0.000 A 69 ARG N N 15 116.265 0.000 A 70 ASP H H 1 7.657 0.000 A 70 ASP HA H 1 4.555 0.000 A 70 ASP HBy H 1 2.620 0.000 A 70 ASP HBx H 1 2.410 0.000 A 70 ASP C C 13 174.867 0.000 A 70 ASP CA C 13 53.314 0.000 A 70 ASP CB C 13 39.839 0.000 A 70 ASP N N 15 116.202 0.000 A 71 MET H H 1 8.069 0.000 A 71 MET HA H 1 4.742 0.000 A 71 MET HBy H 1 2.285 0.000 A 71 MET HBx H 1 1.947 0.000 A 71 MET HE% H 1 1.533 0.000 A 71 MET HGx H 1 1.917 0.000 A 71 MET C C 13 175.174 0.000 A 71 MET CA C 13 50.378 0.000 A 71 MET CB C 13 29.047 0.000 A 71 MET CE C 13 11.990 0.000 A 71 MET CG C 13 30.116 0.000 A 71 MET N N 15 111.561 0.000 A 72 ASN H H 1 7.442 0.000 A 72 ASN HA H 1 4.281 0.000 A 72 ASN HBy H 1 3.329 0.000 A 72 ASN HBx H 1 2.846 0.000 A 72 ASN HD2x H 1 6.995 0.000 A 72 ASN HD2y H 1 7.672 0.000 A 72 ASN C C 13 173.812 0.000 A 72 ASN CA C 13 53.826 0.000 A 72 ASN CB C 13 35.885 0.000 A 72 ASN N N 15 116.196 0.000 A 72 ASN ND2 N 15 114.625 0.000 A 73 GLY H H 1 8.884 0.000 A 73 GLY HAy H 1 4.145 0.000 A 73 GLY HAx H 1 3.630 0.000 A 73 GLY C C 13 171.629 0.000 A 73 GLY CA C 13 43.091 0.000 A 73 GLY N N 15 116.956 0.000 A 74 LYS H H 1 7.797 0.000 A 74 LYS HA H 1 4.240 0.000 A 74 LYS HBy H 1 1.922 0.000 A 74 LYS HBx H 1 1.710 0.000 A 74 LYS HDx H 1 1.581 0.000 A 74 LYS HEx H 1 2.994 0.000 A 74 LYS HEy H 1 2.994 0.000 A 74 LYS HGx H 1 1.192 0.000 A 74 LYS HGy H 1 1.650 0.000 A 74 LYS C C 13 172.132 0.000 A 74 LYS CA C 13 52.333 0.000 A 74 LYS CB C 13 30.131 0.000 A 74 LYS CE C 13 39.954 0.000 A 74 LYS CG C 13 23.145 0.000 A 74 LYS N N 15 120.829 0.000 A 75 SER H H 1 8.037 0.000 A 75 SER HA H 1 4.940 0.000 A 75 SER HBy H 1 3.507 0.000 A 75 SER HBx H 1 3.458 0.000 A 75 SER C C 13 171.838 0.000 A 75 SER CA C 13 54.722 0.000 A 75 SER CB C 13 61.242 0.000 A 75 SER N N 15 112.883 0.000 A 76 LEU H H 1 8.988 0.000 A 76 LEU HA H 1 4.436 0.000 A 76 LEU HBy H 1 1.712 0.000 A 76 LEU HBx H 1 1.118 0.000 A 76 LEU C C 13 173.849 0.000 A 76 LEU CA C 13 51.775 0.000 A 76 LEU CB C 13 41.886 0.000 A 76 LEU CDx C 13 15.794 0.000 A 76 LEU N N 15 127.669 0.000 A 77 ASP H H 1 9.523 0.000 A 77 ASP HA H 1 4.174 0.000 A 77 ASP HBx H 1 2.382 0.000 A 77 ASP HBy H 1 2.746 0.000 A 77 ASP C C 13 173.415 0.000 A 77 ASP CA C 13 52.876 0.000 A 77 ASP CB C 13 36.413 0.000 A 77 ASP N N 15 129.054 0.000 A 78 GLY H H 1 8.396 0.000 A 78 GLY HAy H 1 4.018 0.000 A 78 GLY HAx H 1 3.462 0.000 A 78 GLY C C 13 170.989 0.000 A 78 GLY CA C 13 42.769 0.000 A 78 GLY N N 15 101.915 0.000 A 79 LYS H H 1 7.269 0.000 A 79 LYS HA H 1 4.546 0.000 A 79 LYS HBx H 1 1.638 0.000 A 79 LYS HBy H 1 1.884 0.000 A 79 LYS HDx H 1 1.616 0.000 A 79 LYS HDy H 1 1.616 0.000 A 79 LYS HEx H 1 2.840 0.000 A 79 LYS HEy H 1 2.840 0.000 A 79 LYS HGx H 1 1.265 0.000 A 79 LYS HGy H 1 1.265 0.000 A 79 LYS C C 13 171.513 0.000 A 79 LYS CA C 13 50.277 0.000 A 79 LYS CB C 13 31.955 0.000 A 79 LYS CD C 13 25.042 0.000 A 79 LYS CE C 13 39.431 0.000 A 79 LYS CG C 13 21.519 0.000 A 79 LYS N N 15 119.791 0.000 A 80 ALA H H 1 8.235 0.000 A 80 ALA HA H 1 4.365 0.000 A 80 ALA HB% H 1 1.096 0.000 A 80 ALA C C 13 175.007 0.000 A 80 ALA CA C 13 48.381 0.000 A 80 ALA CB C 13 15.215 0.000 A 80 ALA N N 15 125.002 0.000 A 81 ILE H H 1 8.204 0.000 A 81 ILE HA H 1 4.614 0.000 A 81 ILE HB H 1 1.798 0.000 A 81 ILE HD1% H 1 0.654 0.000 A 81 ILE HG1x H 1 1.381 0.000 A 81 ILE HG1y H 1 1.381 0.000 A 81 ILE HG2% H 1 0.787 0.000 A 81 ILE C C 13 172.389 0.000 A 81 ILE CA C 13 57.921 0.000 A 81 ILE CB C 13 37.547 0.000 A 81 ILE CD1 C 13 11.883 0.000 A 81 ILE CG1 C 13 21.655 0.000 A 81 ILE CG2 C 13 15.835 0.000 A 81 ILE N N 15 119.947 0.000 A 82 LYS H H 1 8.460 0.000 A 82 LYS HA H 1 4.846 0.000 A 82 LYS HBx H 1 1.564 0.000 A 82 LYS HBy H 1 1.564 0.000 A 82 LYS C C 13 172.571 0.000 A 82 LYS CA C 13 51.341 0.000 A 82 LYS CB C 13 31.948 0.000 A 82 LYS N N 15 123.700 0.000 A 83 VAL H H 1 8.653 0.000 A 83 VAL HA H 1 5.068 0.000 A 83 VAL HB H 1 1.842 0.000 A 83 VAL HGx% H 1 0.946 0.000 A 83 VAL HGy% H 1 0.854 0.000 A 83 VAL C C 13 171.831 0.000 A 83 VAL CA C 13 57.954 0.000 A 83 VAL CB C 13 31.979 0.000 A 83 VAL CGx C 13 19.113 0.000 A 83 VAL CGy C 13 21.121 0.000 A 83 VAL N N 15 123.707 0.000 A 84 GLU H H 1 8.977 0.000 A 84 GLU HA H 1 4.684 0.000 A 84 GLU HBx H 1 1.908 0.000 A 84 GLU HBy H 1 2.090 0.000 A 84 GLU HGx H 1 2.109 0.000 A 84 GLU HGy H 1 2.190 0.000 A 84 GLU C C 13 172.141 0.000 A 84 GLU CA C 13 51.305 0.000 A 84 GLU CB C 13 31.690 0.000 A 84 GLU CG C 13 32.552 0.000 A 84 GLU N N 15 123.150 0.000 A 85 GLN H H 1 8.835 0.000 A 85 GLN HA H 1 4.249 0.000 A 85 GLN HBy H 1 2.055 0.000 A 85 GLN HBx H 1 1.914 0.000 A 85 GLN HE2y H 1 7.627 0.000 A 85 GLN HE2x H 1 6.698 0.000 A 85 GLN HGx H 1 2.265 0.000 A 85 GLN HGy H 1 2.265 0.000 A 85 GLN C C 13 173.263 0.000 A 85 GLN CA C 13 54.257 0.000 A 85 GLN CB C 13 26.519 0.000 A 85 GLN CG C 13 31.420 0.000 A 85 GLN N N 15 121.740 0.000 A 85 GLN NE2 N 15 111.783 0.000 A 86 ALA H H 1 8.608 0.000 A 86 ALA HA H 1 4.434 0.000 A 86 ALA HB% H 1 1.378 0.000 A 86 ALA C C 13 174.487 0.000 A 86 ALA CA C 13 50.016 0.000 A 86 ALA CB C 13 16.340 0.000 A 86 ALA N N 15 127.885 0.000 A 87 THR H H 1 8.271 0.000 A 87 THR HA H 1 4.339 0.000 A 87 THR HB H 1 4.070 0.000 A 87 THR HG2% H 1 1.049 0.000 A 87 THR C C 13 171.331 0.000 A 87 THR CA C 13 58.219 0.000 A 87 THR CB C 13 67.397 0.000 A 87 THR CG2 C 13 18.937 0.000 A 87 THR N N 15 113.372 0.000 A 88 LYS H H 1 8.203 0.000 A 88 LYS HA H 1 4.473 0.000 A 88 LYS HBx H 1 1.569 0.000 A 88 LYS HBy H 1 1.666 0.000 A 88 LYS HEx H 1 2.447 0.000 A 88 LYS HEy H 1 2.447 0.000 A 88 LYS HGx H 1 1.309 0.000 A 88 LYS HGy H 1 1.309 0.000 A 88 LYS CA C 13 51.611 0.000 A 88 LYS CB C 13 29.867 0.000 A 88 LYS CG C 13 21.477 0.000 A 88 LYS N N 15 123.502 0.000 A 89 PRO HA H 1 4.194 0.000 A 89 PRO HBx H 1 1.560 0.000 A 89 PRO HDy H 1 3.634 0.000 A 89 PRO HDx H 1 3.489 0.000 A 89 PRO HGx H 1 1.783 0.000 A 89 PRO HGy H 1 1.811 0.000 A 89 PRO C C 13 173.726 0.000 A 89 PRO CA C 13 60.070 0.000 A 89 PRO CB C 13 29.315 0.000 A 89 PRO CD C 13 47.488 0.000 A 89 PRO CG C 13 24.472 0.000 A 90 SER H H 1 7.991 0.000 A 90 SER HA H 1 4.229 0.000 A 90 SER HBy H 1 3.640 0.000 A 90 SER HBx H 1 3.578 0.000 A 90 SER C C 13 171.123 0.000 A 90 SER CA C 13 55.017 0.000 A 90 SER CB C 13 60.977 0.000 A 90 SER N N 15 115.260 0.000 A 91 PHE H H 1 8.004 0.000 A 91 PHE HA H 1 4.527 0.000 A 91 PHE HBy H 1 3.042 0.000 A 91 PHE HBx H 1 2.854 0.000 A 91 PHE HDx H 1 7.096 0.000 A 91 PHE HDy H 1 7.096 0.000 A 91 PHE C C 13 171.798 0.000 A 91 PHE CA C 13 54.467 0.000 A 91 PHE CB C 13 37.008 0.000 A 91 PHE CDy C 13 129.046 0.000 A 91 PHE N N 15 121.128 0.000 A 92 GLU H H 1 7.712 0.000 A 92 GLU HA H 1 3.996 0.000 A 92 GLU HBx H 1 1.924 0.000 A 92 GLU CA C 13 54.927 0.000 A 92 GLU N N 15 126.176 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 31 GLY HAx A 30 PHE HBx 1.0 . 5.21 2 1 A 30 PHE HBy A 31 GLY HAx 1.0 . 5.21 3 2 A 31 GLY HAy A 30 PHE HBx 1.0 . 5.20 4 2 A 30 PHE HBy A 31 GLY HAy 1.0 . 5.20 5 3 A 14 ILE H A 15 GLY HAx 1.0 . 5.45 6 4 A 15 GLY HAy A 14 ILE H 1.0 . 4.98 7 5 A 32 LYS H A 32 LYS HBx 1.0 . 3.45 8 6 A 32 LYS H A 32 LYS HBy 1.0 . 3.74 9 7 A 32 LYS HBy A 27 GLU HA 1.0 . 5.13 10 8 A 46 GLU H A 46 GLU HBy 1.0 . 3.15 11 9 A 46 GLU HBy A 43 LYS HA 1.0 . 4.11 12 10 A 46 GLU H A 46 GLU HBx 1.0 . 3.23 13 11 A 43 LYS HA A 46 GLU HBx 1.0 . 3.86 14 12 A 23 GLU H A 23 GLU HE2 1.0 . 4.95 15 13 A 25 ALA HB% A 8 ARG HDx 1.0 . 4.33 16 13 A 8 ARG HDy A 25 ALA HB% 1.0 . 4.33 17 14 A 25 ALA HB% A 26 LEU H 1.0 . 3.95 18 15 A 25 ALA HB% A 25 ALA H 1.0 . 3.32 19 16 A 25 ALA HB% A 26 LEU H 1.0 . 3.97 20 17 A 25 ALA HB% A 24 LYS H 1.0 . 5.30 21 18 A 11 LYS H A 11 LYS HBx 1.0 . 3.60 22 19 A 65 LYS HA A 66 ASP HBx 1.0 . 5.13 23 20 A 66 ASP HBy A 66 ASP H 1.0 . 4.09 24 21 A 11 LYS HBx A 12 LEU HDx% 1.0 . 5.50 25 22 A 58 PHE H A 58 PHE HBx 1.0 . 3.86 26 23 A 49 LYS HBy A 54 ALA H 1.0 . 4.05 27 24 A 54 ALA HB% A 49 LYS HBy 1.0 . 4.08 28 25 A 49 LYS HBx A 50 SER H 1.0 . 4.37 29 26 A 12 LEU HDx% A 12 LEU HBy 1.0 . 3.71 30 27 A 24 LYS H A 24 LYS HBy 1.0 . 3.63 31 28 A 16 GLY H A 12 LEU HBx 1.0 . 5.50 32 29 A 62 ALA H A 63 ASP HBx 1.0 . 5.38 33 30 A 63 ASP HBx A 60 SER HA 1.0 . 4.14 34 31 A 60 SER HA A 63 ASP HBy 1.0 . 3.93 35 32 A 55 PHE H A 55 PHE HBx 1.0 . 3.70 36 33 A 56 VAL H A 55 PHE HBx 1.0 . 4.18 37 34 A 75 SER H A 76 LEU HBx 1.0 . 4.98 38 35 A 76 LEU HBx A 76 LEU HD21 1.0 . 4.23 39 36 A 76 LEU HBy A 75 SER HBy 1.0 . 5.02 40 36 A 76 LEU HBy A 75 SER HBx 1.0 . 5.02 41 37 A 74 LYS HBx A 75 SER HBy 1.0 . 5.40 42 37 A 75 SER HBx A 74 LYS HBy 1.0 . 5.40 43 37 A 75 SER HBx A 74 LYS HBx 1.0 . 5.40 44 37 A 74 LYS HBy A 75 SER HBy 1.0 . 5.40 45 38 A 58 PHE HA A 61 PRO HBy 1.0 . 3.94 46 39 A 76 LEU HD21 A 61 PRO HBy 1.0 . 4.29 47 40 A 13 PHE H A 13 PHE HBx 1.0 . 3.49 48 41 A 14 ILE H A 13 PHE HBx 1.0 . 4.27 49 42 A 25 ALA HB% A 8 ARG HBy 1.0 . 4.72 50 43 A 66 ASP H A 65 LYS HBx 1.0 . 4.71 51 44 A 66 ASP H A 65 LYS HBy 1.0 . 4.48 52 45 A 8 ARG HBx A 9 PRO HBy 1.0 . 5.13 53 46 A 50 SER H A 50 SER HBx 1.0 . 4.02 54 47 A 52 GLY H A 50 SER HBx 1.0 . 4.46 55 48 A 50 SER H A 50 SER HBy 1.0 . 3.87 56 49 A 52 GLY H A 50 SER HBy 1.0 . 4.58 57 50 A 50 SER HBy A 51 ARG HBx 1.0 . 4.82 58 51 A 71 MET HBy A 74 LYS H 1.0 . 4.53 59 52 A 74 LYS H A 71 MET HBx 1.0 . 4.67 60 53 A 71 MET HBx A 74 LYS HBy 1.0 . 3.94 61 53 A 74 LYS HBx A 71 MET HBx 1.0 . 3.94 62 54 A 71 MET HBy A 72 ASN H 1.0 . 5.15 63 55 A 71 MET HBy A 74 LYS HBy 1.0 . 4.18 64 55 A 74 LYS HBx A 71 MET HBy 1.0 . 4.18 65 56 A 52 GLY H A 51 ARG HGx 1.0 . 3.85 66 56 A 52 GLY H A 51 ARG HGy 1.0 . 3.85 67 57 A 28 ALA HB% A 29 VAL H 1.0 . 4.60 68 58 A 28 ALA HB% A 28 ALA H 1.0 . 3.78 69 59 A 80 ALA H A 80 ALA HB% 1.0 . 3.61 70 60 A 77 ASP HA A 80 ALA HB% 1.0 . 4.68 71 61 A 76 LEU HG A 80 ALA HB% 1.0 . 4.99 72 62 A 80 ALA H A 80 ALA HB% 1.0 . 4.01 73 63 A 85 GLN HA A 85 GLN HGy 1.0 . 3.56 74 64 A 85 GLN HGy A 85 GLN HBy 1.0 . 3.01 75 64 A 85 GLN HGy A 85 GLN HBx 1.0 . 3.01 76 65 A 85 GLN HA A 85 GLN HGx 1.0 . 3.62 77 66 A 59 GLU HBy A 59 GLU HGx 1.0 . 2.69 78 66 A 59 GLU HBy A 59 GLU HGy 1.0 . 2.69 79 67 A 59 GLU H A 59 GLU HGx 1.0 . 4.37 80 67 A 59 GLU HGy A 59 GLU H 1.0 . 4.37 81 68 A 19 THR H A 17 LEU HBy 1.0 . 4.54 82 69 A 18 ASN H A 17 LEU HBy 1.0 . 3.79 83 70 A 17 LEU HBy A 20 GLU H 1.0 . 4.74 84 71 A 63 ASP HBx A 62 ALA HB% 1.0 . 4.18 85 72 A 28 ALA H A 29 VAL HB 1.0 . 4.84 86 73 A 29 VAL HB A 26 LEU HA 1.0 . 3.43 87 74 A 80 ALA HA A 57 THR HB 1.0 . 5.19 88 75 A 51 ARG HBx A 50 SER HA 1.0 . 4.97 89 76 A 52 GLY H A 51 ARG HBx 1.0 . 3.50 90 77 A 51 ARG HBy A 51 ARG H 1.0 . 3.53 91 78 A 84 GLU H A 84 GLU HBx 1.0 . 4.20 92 79 A 21 THR H A 22 ASN HBy 1.0 . 5.50 93 80 A 48 ASN HA A 48 ASN HBx 1.0 . 2.92 94 80 A 48 ASN HA A 48 ASN HBy 1.0 . 2.92 95 81 A 27 GLU H A 26 LEU HBx 1.0 . 4.18 96 82 A 26 LEU H A 26 LEU HBx 1.0 . 3.53 97 83 A 23 GLU H A 23 GLU HBy 1.0 . 3.95 98 84 A 26 LEU H A 26 LEU HBy 1.0 . 3.47 99 85 A 27 GLU H A 26 LEU HBy 1.0 . 4.11 100 86 A 41 LEU HBx A 41 LEU H 1.0 . 3.34 101 87 A 35 ARG HBx A 35 ARG H 1.0 . 4.18 102 88 A 35 ARG HBx A 36 ILE H 1.0 . 4.63 103 89 A 70 ASP HBy A 70 ASP H 1.0 . 4.04 104 90 A 70 ASP HBy A 71 MET H 1.0 . 4.05 105 91 A 44 ASP HA A 44 ASP HBy 1.0 . 2.90 106 91 A 44 ASP HA A 44 ASP HBx 1.0 . 2.90 107 92 A 85 GLN H A 85 GLN HBy 1.0 . 2.95 108 92 A 85 GLN HBx A 85 GLN H 1.0 . 2.95 109 93 A 85 GLN HA A 85 GLN HBy 1.0 . 2.95 110 93 A 85 GLN HA A 85 GLN HBx 1.0 . 2.95 111 94 A 19 THR H A 18 ASN HBx 1.0 . 3.89 112 95 A 17 LEU HA A 18 ASN HBx 1.0 . 4.77 113 96 A 12 LEU HDy% A 18 ASN HBx 1.0 . 4.63 114 97 A 9 PRO HBx A 9 PRO HGx 1.0 . 2.64 115 97 A 9 PRO HGy A 9 PRO HBx 1.0 . 2.64 116 98 A 12 LEU HDy% A 18 ASN HBy 1.0 . 4.98 117 99 A 19 THR H A 18 ASN HBy 1.0 . 3.44 118 100 A 57 THR HA A 59 GLU HBy 1.0 . 4.94 119 101 A 59 GLU H A 59 GLU HBx 1.0 . 3.63 120 102 A 9 PRO HBy A 6 ALA HA 1.0 . 5.02 121 103 A 29 VAL HA A 31 GLY H 1.0 . 4.10 122 104 A 29 VAL HA A 29 VAL HGx% 1.0 . 3.19 123 105 A 60 SER H A 60 SER HBx 1.0 . 3.42 124 105 A 60 SER H A 60 SER HBy 1.0 . 3.42 125 106 A 84 GLU H A 84 GLU HGx 1.0 . 3.96 126 107 A 85 GLN H A 84 GLU HGx 1.0 . 5.38 127 108 A 84 GLU HGx A 84 GLU HA 1.0 . 3.92 128 109 A 85 GLN H A 82 LYS HA 1.0 . 4.35 129 110 A 82 LYS HA A 85 GLN HBy 1.0 . 3.57 130 110 A 85 GLN HBx A 82 LYS HA 1.0 . 3.57 131 111 A 84 GLU H A 84 GLU HGy 1.0 . 4.03 132 112 A 85 GLN H A 84 GLU HGy 1.0 . 5.50 133 113 A 84 GLU HA A 84 GLU HGy 1.0 . 3.37 134 114 A 57 THR HA A 80 ALA HA 1.0 . 5.13 135 115 A 57 THR HA A 60 SER HBx 1.0 . 4.35 136 115 A 57 THR HA A 60 SER HBy 1.0 . 4.35 137 116 A 57 THR HG2% A 57 THR HA 1.0 . 3.68 138 117 A 22 ASN H A 20 GLU HA 1.0 . 5.17 139 118 A 76 LEU HG A 76 LEU H 1.0 . 4.87 140 119 A 80 ALA H A 76 LEU HG 1.0 . 5.50 141 120 A 77 ASP HBx A 42 MET HBy 1.0 . 5.34 142 120 A 42 MET HBx A 77 ASP HBx 1.0 . 5.34 143 121 A 74 LYS HA A 77 ASP HBy 1.0 . 3.84 144 122 A 77 ASP HBy A 74 LYS HBy 1.0 . 5.44 145 122 A 74 LYS HBx A 77 ASP HBy 1.0 . 5.44 146 123 A 5 GLU HBx A 6 ALA H 1.0 . 3.64 147 124 A 29 VAL HGy% A 5 GLU HBx 1.0 . 4.59 148 125 A 29 VAL HGy% A 5 GLU HBy 1.0 . 4.23 149 126 A 29 VAL HGx% A 5 GLU HBy 1.0 . 5.50 150 127 A 64 ALA HB% A 64 ALA H 1.0 . 4.02 151 128 A 80 ALA H A 77 ASP HA 1.0 . 3.84 152 129 A 12 LEU HDx% A 18 ASN H 1.0 . 5.50 153 130 A 12 LEU HDx% A 12 LEU H 1.0 . 3.97 154 131 A 77 ASP HA A 76 LEU HG 1.0 . 4.97 155 132 A 77 ASP HA A 76 LEU HD11 1.0 . 5.50 156 133 A 12 LEU HDx% A 18 ASN HA 1.0 . 4.27 157 134 A 12 LEU HDx% A 9 PRO HA 1.0 . 3.69 158 135 A 12 LEU HDx% A 21 THR H 1.0 . 4.90 159 136 A 12 LEU HDx% A 12 LEU HBx 1.0 . 3.54 160 137 A 76 LEU H A 76 LEU HD11 1.0 . 4.59 161 138 A 76 LEU HBy A 76 LEU HD11 1.0 . 3.43 162 139 A 76 LEU HBx A 76 LEU HD11 1.0 . 3.59 163 140 A 46 GLU H A 43 LYS HA 1.0 . 3.75 164 141 A 43 LYS HA A 45 ARG H 1.0 . 5.03 165 142 A 67 ALA H A 67 ALA HB% 1.0 . 3.82 166 143 A 17 LEU HA A 18 ASN HA 1.0 . 4.33 167 144 A 17 LEU HA A 18 ASN H 1.0 . 2.84 168 145 A 29 VAL HGy% A 28 ALA HB% 1.0 . 5.20 169 146 A 29 VAL HGy% A 28 ALA HB% 1.0 . 5.36 170 147 A 29 VAL HGy% A 29 VAL H 1.0 . 3.05 171 148 A 29 VAL HGy% A 28 ALA H 1.0 . 4.51 172 149 A 29 VAL HGy% A 30 PHE H 1.0 . 4.05 173 150 A 29 VAL HGy% A 26 LEU HA 1.0 . 3.34 174 151 A 29 VAL HGy% A 29 VAL HA 1.0 . 3.07 175 152 A 29 VAL HGy% A 30 PHE HBx 1.0 . 4.95 176 152 A 30 PHE HBy A 29 VAL HGy% 1.0 . 4.95 177 153 A 75 SER HA A 78 GLY H 1.0 . 4.19 178 154 A 75 SER HA A 74 LYS HBy 1.0 . 5.02 179 154 A 74 LYS HBx A 75 SER HA 1.0 . 5.02 180 155 A 75 SER HA A 78 GLY HAy 1.0 . 4.85 181 155 A 78 GLY HAx A 75 SER HA 1.0 . 4.85 182 156 A 61 PRO HA A 61 PRO HDy 1.0 . 3.76 183 156 A 61 PRO HA A 61 PRO HDx 1.0 . 3.76 184 157 A 76 LEU HD21 A 61 PRO HA 1.0 . 4.92 185 158 A 25 ALA HB% A 8 ARG HA 1.0 . 4.62 186 159 A 11 LYS HBy A 8 ARG HA 1.0 . 4.16 187 160 A 12 LEU HDx% A 8 ARG HA 1.0 . 5.30 188 161 A 11 LYS H A 8 ARG HA 1.0 . 4.76 189 162 A 8 ARG HA A 8 ARG HDx 1.0 . 3.85 190 162 A 8 ARG HDy A 8 ARG HA 1.0 . 3.85 191 163 A 61 PRO HA A 60 SER HBx 1.0 . 5.15 192 163 A 60 SER HBy A 61 PRO HA 1.0 . 5.15 193 164 A 51 ARG HA A 51 ARG HGx 1.0 . 2.95 194 164 A 51 ARG HGy A 51 ARG HA 1.0 . 2.95 195 165 A 54 ALA HB% A 51 ARG HA 1.0 . 3.75 196 166 A 12 LEU HDy% A 12 LEU H 1.0 . 4.26 197 167 A 17 LEU HA A 12 LEU HDy% 1.0 . 5.37 198 168 A 12 LEU HA A 12 LEU HDy% 1.0 . 3.07 199 169 A 18 ASN HA A 12 LEU HDy% 1.0 . 3.15 200 170 A 12 LEU HBy A 12 LEU HDy% 1.0 . 4.08 201 171 A 12 LEU HBx A 12 LEU HDy% 1.0 . 3.36 202 172 A 21 THR H A 12 LEU HDy% 1.0 . 5.25 203 173 A 57 THR H A 57 THR HG2% 1.0 . 3.24 204 174 A 57 THR HG2% A 80 ALA HB% 1.0 . 4.35 205 175 A 57 THR HG2% A 80 ALA HB% 1.0 . 3.65 206 176 A 54 ALA HB% A 57 THR HG2% 1.0 . 4.52 207 177 A 80 ALA HA A 83 VAL H 1.0 . 3.99 208 178 A 57 THR HG2% A 80 ALA HA 1.0 . 3.81 209 179 A 21 THR H A 18 ASN HA 1.0 . 4.45 210 180 A 72 ASN HA A 75 SER HBy 1.0 . 3.18 211 180 A 75 SER HBx A 72 ASN HA 1.0 . 3.18 212 181 A 76 LEU HD21 A 76 LEU H 1.0 . 4.20 213 182 A 76 LEU HD21 A 80 ALA H 1.0 . 4.34 214 183 A 76 LEU HD21 A 76 LEU HA 1.0 . 3.19 215 184 A 76 LEU HD21 A 61 PRO HBx 1.0 . 4.76 216 185 A 81 ILE HA A 83 VAL H 1.0 . 4.05 217 186 A 25 ALA H A 22 ASN HA 1.0 . 4.17 218 187 A 22 ASN HA A 8 ARG HDx 1.0 . 4.53 219 187 A 8 ARG HDy A 22 ASN HA 1.0 . 4.53 220 188 A 40 LEU HA A 40 LEU HBy 1.0 . 2.80 221 188 A 40 LEU HA A 40 LEU HBx 1.0 . 2.80 222 189 A 65 LYS HBy A 64 ALA HA 1.0 . 4.60 223 190 A 23 GLU H A 19 THR HA 1.0 . 4.89 224 191 A 29 VAL H A 26 LEU HA 1.0 . 3.91 225 192 A 29 VAL H A 29 VAL HGx% 1.0 . 3.84 226 193 A 26 LEU HA A 29 VAL HGx% 1.0 . 4.06 227 194 A 29 VAL HGx% A 30 PHE HBx 1.0 . 5.07 228 194 A 30 PHE HBy A 29 VAL HGx% 1.0 . 5.07 229 195 A 21 THR H A 19 THR HA 1.0 . 5.36 230 196 A 22 ASN H A 19 THR HA 1.0 . 3.87 231 197 A 19 THR HA A 22 ASN HBy 1.0 . 3.29 232 198 A 27 GLU HA A 26 LEU HA 1.0 . 5.21 233 199 A 34 GLY H A 33 TYR HA 1.0 . 2.84 234 200 A 44 ASP HA A 47 THR H 1.0 . 3.90 235 201 A 29 VAL HA A 28 ALA HA 1.0 . 4.88 236 202 A 62 ALA HA A 64 ALA H 1.0 . 5.18 237 203 A 38 GLU H A 36 ILE HA 1.0 . 4.34 238 204 A 62 ALA HA A 61 PRO HDy 1.0 . 5.19 239 204 A 62 ALA HA A 61 PRO HDx 1.0 . 5.19 240 205 A 5 GLU HA A 5 GLU HBx 1.0 . 2.92 241 206 A 44 ASP H A 41 LEU HA 1.0 . 3.80 242 207 A 45 ARG H A 41 LEU HA 1.0 . 4.66 243 208 A 41 LEU HA A 44 ASP HBy 1.0 . 3.12 244 208 A 44 ASP HBx A 41 LEU HA 1.0 . 3.12 245 209 A 40 LEU H A 41 LEU HA 1.0 . 5.20 246 210 A 6 ALA HA A 6 ALA HB% 1.0 . 2.72 247 211 A 79 LYS H A 76 LEU HA 1.0 . 3.79 248 212 A 76 LEU HA A 61 PRO HA 1.0 . 4.07 249 213 A 59 GLU HBy A 59 GLU HA 1.0 . 2.98 250 214 A 76 LEU HG A 76 LEU HA 1.0 . 3.89 251 215 A 76 LEU HA A 76 LEU HD11 1.0 . 4.43 252 216 A 6 ALA HA A 8 ARG H 1.0 . 4.56 253 217 A 49 LYS HA A 48 ASN HBx 1.0 . 4.95 254 217 A 48 ASN HBy A 49 LYS HA 1.0 . 4.95 255 218 A 9 PRO HA A 8 ARG HDx 1.0 . 5.33 256 218 A 8 ARG HDy A 9 PRO HA 1.0 . 5.33 257 219 A 12 LEU HBx A 9 PRO HA 1.0 . 4.25 258 220 A 28 ALA HB% A 25 ALA HA 1.0 . 4.56 259 221 A 28 ALA HB% A 25 ALA HA 1.0 . 3.65 260 222 A 12 LEU H A 9 PRO HA 1.0 . 3.87 261 223 A 9 PRO HA A 9 PRO HGx 1.0 . 3.69 262 223 A 9 PRO HGy A 9 PRO HA 1.0 . 3.69 263 224 A 12 LEU HBy A 9 PRO HA 1.0 . 3.69 264 225 A 9 PRO HA A 12 LEU HG 1.0 . 4.22 265 226 A 86 ALA HA A 86 ALA HB% 1.0 . 2.71 266 227 A 54 ALA HB% A 54 ALA H 1.0 . 3.03 267 228 A 56 VAL H A 54 ALA HB% 1.0 . 5.47 268 229 A 54 ALA HB% A 49 LYS HDx 1.0 . 4.41 269 229 A 49 LYS HDy A 54 ALA HB% 1.0 . 4.41 270 230 A 54 ALA HB% A 49 LYS HBx 1.0 . 3.56 271 231 A 70 ASP HA A 69 ARG HA 1.0 . 4.40 272 232 A 49 LYS HBx A 46 GLU HA 1.0 . 5.22 273 233 A 46 GLU HBx A 46 GLU HA 1.0 . 3.00 274 234 A 28 ALA H A 24 LYS HA 1.0 . 5.11 275 235 A 58 PHE HA A 61 PRO HDy 1.0 . 4.67 276 235 A 58 PHE HA A 61 PRO HDx 1.0 . 4.67 277 236 A 61 PRO HBx A 58 PHE HA 1.0 . 3.78 278 237 A 76 LEU HD21 A 58 PHE HA 1.0 . 4.67 279 238 A 12 LEU HA A 12 LEU HG 1.0 . 3.81 280 239 A 29 VAL H A 30 PHE HBx 1.0 . 4.89 281 239 A 30 PHE HBy A 29 VAL H 1.0 . 4.89 282 240 A 31 GLY H A 30 PHE HBx 1.0 . 3.88 283 240 A 30 PHE HBy A 31 GLY H 1.0 . 3.88 284 241 A 30 PHE H A 30 PHE HBx 1.0 . 2.99 285 241 A 30 PHE HBy A 30 PHE H 1.0 . 2.99 286 242 A 32 LYS HBy A 32 LYS HA 1.0 . 2.99 287 243 A 13 PHE HA A 15 GLY H 1.0 . 4.18 288 244 A 13 PHE HBx A 13 PHE HA 1.0 . 3.01 289 245 A 72 ASN HBy A 37 VAL HA 1.0 . 4.59 290 246 A 44 ASP H A 45 ARG HBx 1.0 . 4.60 291 246 A 44 ASP H A 45 ARG HBy 1.0 . 4.60 292 247 A 46 GLU H A 45 ARG HBx 1.0 . 3.40 293 247 A 46 GLU H A 45 ARG HBy 1.0 . 3.40 294 248 A 45 ARG H A 45 ARG HBx 1.0 . 2.95 295 248 A 45 ARG H A 45 ARG HBy 1.0 . 2.95 296 249 A 45 ARG HBy A 49 LYS HEx 1.0 . 5.50 297 249 A 45 ARG HBx A 49 LYS HEx 1.0 . 5.50 298 249 A 49 LYS HEy A 45 ARG HBx 1.0 . 5.50 299 249 A 45 ARG HBy A 49 LYS HEy 1.0 . 5.50 300 250 A 42 MET HA A 45 ARG HBx 1.0 . 3.37 301 250 A 45 ARG HBy A 42 MET HA 1.0 . 3.37 302 251 A 76 LEU HBy A 42 MET HBy 1.0 . 3.94 303 251 A 76 LEU HBy A 42 MET HBx 1.0 . 3.94 304 252 A 38 GLU HBx A 42 MET HBy 1.0 . 3.81 305 252 A 42 MET HBx A 38 GLU HBx 1.0 . 3.81 306 253 A 76 LEU HD11 A 42 MET HBy 1.0 . 3.78 307 253 A 42 MET HBx A 76 LEU HD11 1.0 . 3.78 308 254 A 38 GLU HA A 42 MET HBy 1.0 . 4.42 309 254 A 42 MET HBx A 38 GLU HA 1.0 . 4.42 310 255 A 43 LYS HA A 42 MET HBy 1.0 . 5.50 311 255 A 43 LYS HA A 42 MET HBx 1.0 . 5.50 312 256 A 76 LEU HD21 A 42 MET HBy 1.0 . 5.50 313 256 A 76 LEU HD21 A 42 MET HBx 1.0 . 5.50 314 257 A 20 GLU H A 21 THR HA 1.0 . 5.31 315 258 A 23 GLU H A 21 THR HA 1.0 . 5.31 316 259 A 11 LYS HBx A 21 THR HA 1.0 . 4.30 317 260 A 24 LYS HBx A 21 THR HA 1.0 . 3.77 318 261 A 24 LYS HBy A 21 THR HA 1.0 . 3.76 319 262 A 59 GLU H A 56 VAL HA 1.0 . 3.76 320 263 A 59 GLU HBx A 56 VAL HA 1.0 . 3.42 321 264 A 57 THR H A 54 ALA HA 1.0 . 4.01 322 265 A 57 THR HB A 54 ALA HA 1.0 . 3.38 323 266 A 57 THR HG2% A 54 ALA HA 1.0 . 3.90 324 267 A 48 ASN H A 45 ARG HA 1.0 . 4.11 325 268 A 74 LYS HA A 77 ASP H 1.0 . 4.26 326 269 A 74 LYS HA A 78 GLY H 1.0 . 4.70 327 270 A 66 ASP HA A 69 ARG H 1.0 . 4.30 328 271 A 46 GLU HA A 54 ALA HA 1.0 . 5.50 329 272 A 77 ASP HBx A 74 LYS HA 1.0 . 3.52 330 273 A 7 ASP HA A 7 ASP HBy 1.0 . 2.95 331 273 A 7 ASP HBx A 7 ASP HA 1.0 . 2.95 332 274 A 65 LYS HA A 66 ASP H 1.0 . 2.83 333 275 A 29 VAL HA A 30 PHE HA 1.0 . 4.75 334 276 A 66 ASP HA A 65 LYS HA 1.0 . 4.66 335 277 A 29 VAL H A 30 PHE HA 1.0 . 4.93 336 278 A 29 VAL HGx% A 30 PHE HA 1.0 . 4.32 337 279 A 40 LEU H A 39 VAL HA 1.0 . 3.01 338 280 A 39 VAL HA A 40 LEU HBy 1.0 . 4.43 339 280 A 40 LEU HBx A 39 VAL HA 1.0 . 4.43 340 281 A 50 SER HA A 51 ARG H 1.0 . 3.12 341 282 A 50 SER HBx A 50 SER HA 1.0 . 2.99 342 283 A 50 SER HBy A 50 SER HA 1.0 . 3.02 343 284 A 72 ASN HBy A 71 MET HA 1.0 . 4.67 344 285 A 70 ASP H A 69 ARG HA 1.0 . 3.23 345 286 A 34 GLY H A 33 TYR H 1.0 . 4.76 346 287 A 66 ASP H A 65 LYS H 1.0 . 4.06 347 288 A 66 ASP HBx A 66 ASP H 1.0 . 3.34 348 289 A 74 LYS H A 72 ASN H 1.0 . 4.85 349 290 A 72 ASN H A 71 MET HA 1.0 . 3.17 350 291 A 72 ASN HBy A 72 ASN H 1.0 . 3.45 351 292 A 71 MET HBx A 72 ASN H 1.0 . 5.01 352 293 A 77 ASP HA A 79 LYS H 1.0 . 4.62 353 294 A 79 LYS H A 78 GLY HAy 1.0 . 3.44 354 294 A 78 GLY HAx A 79 LYS H 1.0 . 3.44 355 295 A 76 LEU HD21 A 79 LYS H 1.0 . 5.48 356 296 A 79 LYS H A 76 LEU H 1.0 . 5.27 357 297 A 18 ASN H A 19 THR H 1.0 . 3.78 358 298 A 21 THR H A 18 ASN H 1.0 . 5.50 359 299 A 18 ASN H A 20 GLU H 1.0 . 4.97 360 300 A 18 ASN H A 18 ASN HBx 1.0 . 3.08 361 301 A 18 ASN H A 18 ASN HBy 1.0 . 3.19 362 302 A 18 ASN H A 17 LEU HBx 1.0 . 3.82 363 303 A 18 ASN H A 12 LEU HDy% 1.0 . 4.43 364 304 A 54 ALA H A 53 PHE H 1.0 . 2.96 365 305 A 54 ALA H A 49 LYS HDx 1.0 . 4.78 366 305 A 49 LYS HDy A 54 ALA H 1.0 . 4.78 367 306 A 54 ALA H A 49 LYS HBx 1.0 . 3.90 368 307 A 54 ALA H A 55 PHE HBy 1.0 . 4.93 369 308 A 54 ALA H A 57 THR HG2% 1.0 . 5.50 370 309 A 57 THR HG2% A 83 VAL H 1.0 . 5.35 371 310 A 81 ILE H A 83 VAL H 1.0 . 4.80 372 311 A 56 VAL H A 54 ALA H 1.0 . 5.01 373 312 A 56 VAL H A 55 PHE H 1.0 . 3.24 374 313 A 56 VAL H A 57 THR H 1.0 . 3.29 375 314 A 56 VAL H A 55 PHE HA 1.0 . 3.56 376 315 A 56 VAL H A 55 PHE HBy 1.0 . 3.39 377 316 A 32 LYS H A 29 VAL H 1.0 . 4.74 378 317 A 28 ALA HB% A 29 VAL H 1.0 . 4.15 379 318 A 29 VAL H A 29 VAL HB 1.0 . 3.19 380 319 A 74 LYS H A 74 LYS HBy 1.0 . 3.19 381 319 A 74 LYS HBx A 74 LYS H 1.0 . 3.19 382 320 A 56 VAL H A 54 ALA HA 1.0 . 5.02 383 321 A 56 VAL H A 57 THR HG2% 1.0 . 5.03 384 322 A 56 VAL H A 57 THR HA 1.0 . 5.50 385 323 A 74 LYS H A 77 ASP H 1.0 . 5.50 386 324 A 43 LYS H A 42 MET H 1.0 . 3.40 387 325 A 42 MET H A 42 MET HBy 1.0 . 3.32 388 325 A 42 MET HBx A 42 MET H 1.0 . 3.32 389 326 A 38 GLU HA A 42 MET H 1.0 . 5.50 390 327 A 39 VAL H A 38 GLU HBy 1.0 . 4.50 391 328 A 39 VAL H A 40 LEU H 1.0 . 4.51 392 329 A 39 VAL H A 38 GLU HA 1.0 . 2.84 393 330 A 39 VAL H A 42 MET HBy 1.0 . 3.91 394 330 A 39 VAL H A 42 MET HBx 1.0 . 3.91 395 331 A 39 VAL H A 38 GLU HBx 1.0 . 4.05 396 332 A 14 ILE H A 13 PHE H 1.0 . 3.03 397 333 A 13 PHE H A 9 PRO HA 1.0 . 4.62 398 334 A 13 PHE H A 13 PHE HBy 1.0 . 3.14 399 335 A 11 LYS HBx A 13 PHE H 1.0 . 5.50 400 336 A 12 LEU HBy A 13 PHE H 1.0 . 3.54 401 337 A 12 LEU HBx A 13 PHE H 1.0 . 3.74 402 338 A 12 LEU HDx% A 13 PHE H 1.0 . 4.73 403 339 A 13 PHE H A 9 PRO HGx 1.0 . 4.81 404 339 A 13 PHE H A 9 PRO HGy 1.0 . 4.81 405 340 A 76 LEU H A 74 LYS HA 1.0 . 4.28 406 341 A 76 LEU H A 75 SER HBy 1.0 . 3.44 407 341 A 75 SER HBx A 76 LEU H 1.0 . 3.44 408 342 A 76 LEU HBy A 76 LEU H 1.0 . 3.30 409 343 A 76 LEU HBx A 76 LEU H 1.0 . 3.37 410 344 A 76 LEU H A 78 GLY H 1.0 . 5.31 411 345 A 23 GLU H A 21 THR H 1.0 . 5.00 412 346 A 21 THR H A 20 GLU H 1.0 . 3.05 413 347 A 11 LYS H A 13 PHE H 1.0 . 4.85 414 348 A 11 LYS H A 9 PRO HA 1.0 . 5.26 415 349 A 11 LYS H A 11 LYS HBy 1.0 . 3.48 416 350 A 17 LEU HA A 21 THR H 1.0 . 5.50 417 351 A 11 LYS H A 8 ARG H 1.0 . 5.50 418 352 A 66 ASP HBy A 69 ARG H 1.0 . 5.50 419 353 A 6 ALA H A 5 GLU H 1.0 . 5.37 420 354 A 5 GLU HA A 6 ALA H 1.0 . 3.12 421 355 A 6 ALA H A 5 GLU HBy 1.0 . 3.74 422 356 A 6 ALA H A 6 ALA HB% 1.0 . 3.14 423 357 A 29 VAL HGy% A 6 ALA H 1.0 . 5.50 424 358 A 6 ALA H A 8 ARG H 1.0 . 5.21 425 359 A 6 ALA H A 7 ASP HBy 1.0 . 5.50 426 359 A 7 ASP HBx A 6 ALA H 1.0 . 5.50 427 360 A 8 ARG H A 8 ARG HDx 1.0 . 4.83 428 360 A 8 ARG HDy A 8 ARG H 1.0 . 4.83 429 361 A 8 ARG HBy A 8 ARG H 1.0 . 3.24 430 362 A 8 ARG HBx A 8 ARG H 1.0 . 3.22 431 363 A 8 ARG H A 7 ASP HBy 1.0 . 3.79 432 363 A 7 ASP HBx A 8 ARG H 1.0 . 3.79 433 364 A 9 PRO HBy A 8 ARG H 1.0 . 4.88 434 365 A 29 VAL H A 27 GLU H 1.0 . 5.16 435 366 A 24 LYS H A 27 GLU H 1.0 . 5.41 436 367 A 68 ALA HB% A 69 ARG H 1.0 . 4.73 437 368 A 28 ALA HB% A 27 GLU H 1.0 . 5.50 438 369 A 70 ASP H A 69 ARG H 1.0 . 4.88 439 370 A 69 ARG H A 68 ALA H 1.0 . 3.22 440 371 A 68 ALA HB% A 69 ARG H 1.0 . 4.61 441 372 A 50 SER HBx A 51 ARG H 1.0 . 3.27 442 373 A 50 SER HBy A 51 ARG H 1.0 . 3.47 443 374 A 51 ARG HBx A 51 ARG H 1.0 . 2.89 444 375 A 14 ILE H A 15 GLY H 1.0 . 3.29 445 376 A 14 ILE H A 16 GLY H 1.0 . 4.25 446 377 A 14 ILE H A 11 LYS HA 1.0 . 3.87 447 378 A 14 ILE H A 13 PHE HBy 1.0 . 3.67 448 379 A 28 ALA H A 25 ALA HA 1.0 . 3.99 449 380 A 26 LEU H A 28 ALA H 1.0 . 4.22 450 381 A 29 VAL H A 28 ALA H 1.0 . 3.50 451 382 A 28 ALA H A 27 GLU H 1.0 . 3.42 452 383 A 28 ALA H A 26 LEU HA 1.0 . 4.41 453 384 A 28 ALA HB% A 28 ALA H 1.0 . 3.46 454 385 A 46 GLU HBy A 45 ARG H 1.0 . 4.84 455 386 A 35 ARG H A 35 ARG HBy 1.0 . 3.59 456 387 A 45 ARG H A 44 ASP H 1.0 . 3.30 457 388 A 45 ARG H A 43 LYS H 1.0 . 4.17 458 389 A 48 ASN H A 45 ARG H 1.0 . 5.29 459 390 A 45 ARG H A 42 MET HA 1.0 . 3.78 460 391 A 45 ARG H A 44 ASP HBy 1.0 . 3.31 461 391 A 45 ARG H A 44 ASP HBx 1.0 . 3.31 462 392 A 65 LYS H A 64 ALA HA 1.0 . 3.02 463 393 A 64 ALA HB% A 65 LYS H 1.0 . 3.51 464 394 A 65 LYS HBx A 65 LYS H 1.0 . 3.26 465 395 A 65 LYS HBy A 65 LYS H 1.0 . 3.29 466 396 A 16 GLY H A 12 LEU HA 1.0 . 3.53 467 397 A 64 ALA HB% A 65 LYS H 1.0 . 3.54 468 398 A 46 GLU H A 48 ASN H 1.0 . 4.52 469 399 A 59 GLU HBy A 59 GLU H 1.0 . 2.99 470 400 A 58 PHE HBx A 59 GLU H 1.0 . 3.51 471 401 A 58 PHE HBy A 59 GLU H 1.0 . 4.28 472 402 A 24 LYS H A 22 ASN H 1.0 . 4.64 473 403 A 26 LEU H A 24 LYS H 1.0 . 4.94 474 404 A 24 LYS H A 24 LYS HBx 1.0 . 3.37 475 405 A 56 VAL H A 59 GLU H 1.0 . 5.50 476 406 A 57 THR HA A 59 GLU H 1.0 . 5.50 477 407 A 75 SER H A 76 LEU H 1.0 . 3.45 478 408 A 75 SER H A 75 SER HBy 1.0 . 2.95 479 408 A 75 SER H A 75 SER HBx 1.0 . 2.95 480 409 A 23 GLU H A 24 LYS H 1.0 . 3.43 481 410 A 23 GLU H A 20 GLU HA 1.0 . 3.93 482 411 A 23 GLU H A 22 ASN HBy 1.0 . 3.53 483 412 A 75 SER H A 74 LYS HBy 1.0 . 3.56 484 412 A 75 SER H A 74 LYS HBx 1.0 . 3.56 485 413 A 29 VAL H A 30 PHE H 1.0 . 3.46 486 414 A 31 GLY H A 30 PHE H 1.0 . 3.21 487 415 A 32 LYS H A 30 PHE H 1.0 . 4.14 488 416 A 33 TYR H A 30 PHE H 1.0 . 5.50 489 417 A 26 LEU HA A 30 PHE H 1.0 . 4.58 490 418 A 29 VAL HB A 30 PHE H 1.0 . 3.56 491 419 A 29 VAL HGx% A 30 PHE H 1.0 . 3.99 492 420 A 86 ALA H A 87 THR H 1.0 . 3.38 493 421 A 75 SER H A 77 ASP H 1.0 . 3.92 494 422 A 57 THR H A 57 THR HB 1.0 . 3.08 495 423 A 35 ARG HA A 37 VAL H 1.0 . 4.35 496 424 A 34 GLY H A 37 VAL H 1.0 . 4.64 497 425 A 57 THR H A 55 PHE HA 1.0 . 4.63 498 426 A 86 ALA H A 85 GLN HBy 1.0 . 3.55 499 426 A 86 ALA H A 85 GLN HBx 1.0 . 3.55 500 427 A 86 ALA H A 86 ALA HB% 1.0 . 3.04 501 428 A 12 LEU HBy A 12 LEU H 1.0 . 3.52 502 429 A 13 PHE H A 12 LEU H 1.0 . 3.61 503 430 A 12 LEU HBx A 12 LEU H 1.0 . 3.80 504 431 A 11 LYS HBy A 12 LEU H 1.0 . 3.22 505 432 A 40 LEU H A 41 LEU H 1.0 . 3.49 506 433 A 40 LEU H A 40 LEU HBy 1.0 . 3.10 507 433 A 40 LEU H A 40 LEU HBx 1.0 . 3.10 508 434 A 11 LYS HBx A 12 LEU H 1.0 . 3.92 509 435 A 81 ILE H A 78 GLY HAy 1.0 . 3.94 510 435 A 78 GLY HAx A 81 ILE H 1.0 . 3.94 511 436 A 32 LYS H A 28 ALA HA 1.0 . 5.16 512 437 A 32 LYS H A 30 PHE HA 1.0 . 4.95 513 438 A 32 LYS H A 30 PHE HBx 1.0 . 3.58 514 438 A 30 PHE HBy A 32 LYS H 1.0 . 3.58 515 439 A 29 VAL HGy% A 5 GLU H 1.0 . 5.50 516 440 A 25 ALA H A 22 ASN H 1.0 . 5.20 517 441 A 25 ALA H A 24 LYS H 1.0 . 3.42 518 442 A 26 LEU H A 25 ALA H 1.0 . 3.60 519 443 A 23 GLU H A 25 ALA H 1.0 . 4.81 520 444 A 25 ALA HB% A 25 ALA H 1.0 . 2.89 521 445 A 25 ALA H A 24 LYS HBx 1.0 . 3.83 522 446 A 25 ALA H A 24 LYS HBy 1.0 . 3.82 523 447 A 25 ALA H A 27 GLU H 1.0 . 5.06 524 448 A 23 GLU H A 20 GLU H 1.0 . 5.50 525 449 A 22 ASN H A 20 GLU H 1.0 . 4.50 526 450 A 18 ASN HA A 20 GLU H 1.0 . 4.41 527 451 A 20 GLU H A 17 LEU HBx 1.0 . 3.43 528 452 A 50 SER H A 49 LYS H 1.0 . 4.56 529 453 A 49 LYS HBy A 49 LYS H 1.0 . 3.63 530 454 A 49 LYS HBx A 49 LYS H 1.0 . 3.23 531 455 A 58 PHE H A 58 PHE HBy 1.0 . 3.73 532 456 A 58 PHE H A 57 THR HG2% 1.0 . 4.17 533 457 A 38 GLU H A 37 VAL H 1.0 . 3.26 534 458 A 38 GLU H A 38 GLU HBy 1.0 . 3.46 535 459 A 38 GLU H A 38 GLU HBx 1.0 . 3.86 536 460 A 38 GLU H A 39 VAL H 1.0 . 4.48 537 461 A 54 ALA HB% A 49 LYS H 1.0 . 4.85 538 462 A 56 VAL H A 58 PHE H 1.0 . 5.25 539 463 A 84 GLU H A 85 GLN H 1.0 . 3.31 540 464 A 44 ASP H A 41 LEU H 1.0 . 4.86 541 465 A 44 ASP H A 42 MET H 1.0 . 4.45 542 466 A 44 ASP H A 43 LYS H 1.0 . 3.41 543 467 A 44 ASP H A 44 ASP HBy 1.0 . 2.95 544 467 A 44 ASP H A 44 ASP HBx 1.0 . 2.95 545 468 A 62 ALA H A 76 LEU HD21 1.0 . 5.50 546 469 A 50 SER H A 52 GLY H 1.0 . 5.15 547 470 A 62 ALA H A 61 PRO HDy 1.0 . 4.29 548 470 A 62 ALA H A 61 PRO HDx 1.0 . 4.29 549 471 A 62 ALA H A 61 PRO HBx 1.0 . 3.57 550 472 A 62 ALA H A 61 PRO HBy 1.0 . 3.81 551 473 A 62 ALA H A 62 ALA HB% 1.0 . 2.99 552 474 A 49 LYS HBy A 50 SER H 1.0 . 3.28 553 475 A 50 SER H A 53 PHE H 1.0 . 4.24 554 476 A 68 ALA HB% A 68 ALA H 1.0 . 4.03 555 477 A 68 ALA HB% A 68 ALA H 1.0 . 3.63 556 478 A 6 ALA H A 7 ASP H 1.0 . 3.55 557 479 A 8 ARG H A 7 ASP H 1.0 . 3.27 558 480 A 6 ALA HA A 7 ASP H 1.0 . 3.47 559 481 A 5 GLU HBy A 7 ASP H 1.0 . 4.26 560 482 A 7 ASP H A 7 ASP HBy 1.0 . 3.08 561 482 A 7 ASP HBx A 7 ASP H 1.0 . 3.08 562 483 A 6 ALA HB% A 7 ASP H 1.0 . 4.37 563 484 A 50 SER H A 49 LYS HDx 1.0 . 4.05 564 484 A 49 LYS HDy A 50 SER H 1.0 . 4.05 565 485 A 54 ALA HB% A 50 SER H 1.0 . 5.16 566 486 A 50 SER H A 49 LYS HA 1.0 . 2.94 567 487 A 59 GLU H A 60 SER H 1.0 . 3.36 568 488 A 59 GLU HBy A 60 SER H 1.0 . 2.94 569 489 A 57 THR HA A 60 SER H 1.0 . 4.36 570 490 A 61 PRO HBx A 60 SER H 1.0 . 5.24 571 491 A 62 ALA HB% A 64 ALA H 1.0 . 5.35 572 492 A 71 MET H A 72 ASN HA 1.0 . 5.50 573 493 A 71 MET H A 74 LYS HBy 1.0 . 5.50 574 493 A 74 LYS HBx A 71 MET H 1.0 . 5.50 575 494 A 26 LEU H A 27 GLU H 1.0 . 3.47 576 495 A 64 ALA H A 65 LYS H 1.0 . 4.45 577 496 A 64 ALA H A 63 ASP H 1.0 . 3.30 578 497 A 64 ALA H A 61 PRO HA 1.0 . 5.15 579 498 A 64 ALA HB% A 64 ALA H 1.0 . 3.23 580 499 A 63 ASP HBx A 64 ALA H 1.0 . 4.86 581 500 A 63 ASP HBy A 64 ALA H 1.0 . 4.67 582 501 A 78 GLY H A 77 ASP H 1.0 . 3.63 583 502 A 77 ASP HBx A 77 ASP H 1.0 . 3.46 584 503 A 77 ASP HBy A 77 ASP H 1.0 . 3.72 585 504 A 76 LEU HBy A 77 ASP H 1.0 . 3.63 586 505 A 77 ASP H A 42 MET HBy 1.0 . 4.58 587 505 A 42 MET HBx A 77 ASP H 1.0 . 4.58 588 506 A 76 LEU HD11 A 77 ASP H 1.0 . 5.17 589 507 A 76 LEU HD21 A 77 ASP H 1.0 . 5.50 590 508 A 76 LEU HBx A 77 ASP H 1.0 . 4.18 591 509 A 70 ASP H A 71 MET H 1.0 . 4.44 592 510 A 66 ASP H A 64 ALA H 1.0 . 5.50 593 511 A 43 LYS HA A 47 THR H 1.0 . 5.50 594 512 A 46 GLU HBx A 47 THR H 1.0 . 3.81 595 513 A 61 PRO HA A 63 ASP H 1.0 . 5.09 596 514 A 62 ALA H A 63 ASP H 1.0 . 3.44 597 515 A 60 SER HA A 63 ASP H 1.0 . 3.98 598 516 A 61 PRO HBx A 63 ASP H 1.0 . 5.50 599 517 A 63 ASP HBx A 63 ASP H 1.0 . 3.53 600 518 A 63 ASP HBy A 63 ASP H 1.0 . 3.15 601 519 A 62 ALA HB% A 63 ASP H 1.0 . 3.45 602 520 A 43 LYS H A 40 LEU HA 1.0 . 3.75 603 521 A 43 LYS H A 42 MET HBy 1.0 . 3.55 604 521 A 43 LYS H A 42 MET HBx 1.0 . 3.55 605 522 A 67 ALA H A 69 ARG H 1.0 . 5.08 606 523 A 65 LYS HA A 67 ALA H 1.0 . 3.94 607 524 A 67 ALA H A 67 ALA HB% 1.0 . 3.23 608 525 A 66 ASP HBx A 67 ALA H 1.0 . 4.34 609 526 A 22 ASN H A 19 THR H 1.0 . 5.03 610 527 A 21 THR H A 22 ASN H 1.0 . 3.40 611 528 A 23 GLU H A 22 ASN H 1.0 . 3.48 612 529 A 22 ASN H A 22 ASN HBy 1.0 . 3.14 613 530 A 12 LEU HDx% A 22 ASN H 1.0 . 5.50 614 531 A 38 GLU HA A 73 GLY H 1.0 . 5.50 615 532 A 72 ASN H A 73 GLY H 1.0 . 3.41 616 533 A 74 LYS H A 73 GLY H 1.0 . 3.12 617 534 A 73 GLY H A 71 MET HA 1.0 . 4.27 618 535 A 73 GLY H A 75 SER HBy 1.0 . 5.50 619 535 A 75 SER HBx A 73 GLY H 1.0 . 5.50 620 536 A 72 ASN HBy A 73 GLY H 1.0 . 3.61 621 537 A 73 GLY H A 74 LYS HBy 1.0 . 4.33 622 537 A 74 LYS HBx A 73 GLY H 1.0 . 4.33 623 538 A 49 LYS HBx A 48 ASN H 1.0 . 5.12 624 539 A 48 ASN H A 44 ASP HA 1.0 . 5.50 625 540 A 48 ASN H A 47 THR H 1.0 . 3.30 626 541 A 48 ASN H A 48 ASN HBx 1.0 . 2.93 627 541 A 48 ASN H A 48 ASN HBy 1.0 . 2.93 628 542 A 46 GLU HBx A 48 ASN H 1.0 . 4.96 629 543 A 19 THR H A 20 GLU H 1.0 . 3.44 630 544 A 17 LEU HA A 19 THR H 1.0 . 5.05 631 545 A 54 ALA H A 55 PHE H 1.0 . 3.50 632 546 A 55 PHE H A 55 PHE HBy 1.0 . 2.83 633 547 A 54 ALA HB% A 55 PHE H 1.0 . 3.33 634 548 A 21 THR H A 19 THR H 1.0 . 4.65 635 549 A 55 PHE H A 51 ARG HGx 1.0 . 4.96 636 549 A 55 PHE H A 51 ARG HGy 1.0 . 4.96 637 550 A 81 ILE H A 82 LYS H 1.0 . 3.43 638 551 A 79 LYS HA A 82 LYS H 1.0 . 4.23 639 552 A 52 GLY H A 51 ARG H 1.0 . 3.52 640 553 A 54 ALA HB% A 52 GLY H 1.0 . 5.50 641 554 A 9 PRO HBy A 10 GLY H 1.0 . 3.55 642 555 A 10 GLY H A 8 ARG H 1.0 . 3.97 643 556 A 10 GLY H A 7 ASP HA 1.0 . 3.98 644 557 A 82 LYS HA A 85 GLN HE2y 1.0 . 5.50 645 558 A 85 GLN HE2y A 85 GLN HBy 1.0 . 5.50 646 558 A 85 GLN HBx A 85 GLN HE2y 1.0 . 5.50 647 559 A 79 LYS H A 78 GLY H 1.0 . 3.38 648 560 A 78 GLY H A 78 GLY HAy 1.0 . 2.92 649 560 A 78 GLY HAx A 78 GLY H 1.0 . 2.92 650 561 A 77 ASP HBy A 78 GLY H 1.0 . 4.26 651 562 A 77 ASP HBx A 78 GLY H 1.0 . 4.01 652 563 A 35 ARG H A 36 ILE H 1.0 . 4.96 653 564 A 36 ILE H A 35 ARG HBy 1.0 . 4.11 654 565 A 52 GLY H A 53 PHE H 1.0 . 2.40 655 566 A 53 PHE H A 51 ARG HGx 1.0 . 5.50 656 566 A 51 ARG HGy A 53 PHE H 1.0 . 5.50 657 567 A 49 LYS HBy A 53 PHE H 1.0 . 4.45 658 568 A 54 ALA HB% A 53 PHE H 1.0 . 4.47 659 569 A 56 VAL H A 53 PHE H 1.0 . 5.50 660 570 A 53 PHE H A 49 LYS HDx 1.0 . 5.50 661 570 A 49 LYS HDy A 53 PHE H 1.0 . 5.50 662 571 A 51 ARG HBx A 53 PHE H 1.0 . 5.50 663 572 A 32 LYS H A 33 TYR H 1.0 . 3.21 664 573 A 33 TYR H A 28 ALA HA 1.0 . 4.50 665 574 A 31 GLY HAx A 33 TYR H 1.0 . 4.58 666 575 A 32 LYS HBx A 33 TYR H 1.0 . 3.75 667 576 A 32 LYS HBy A 33 TYR H 1.0 . 3.96 668 577 A 29 VAL H A 31 GLY H 1.0 . 5.25 669 578 A 32 LYS H A 31 GLY H 1.0 . 3.30 670 579 A 31 GLY H A 29 VAL HGx% 1.0 . 4.94 671 580 A 31 GLY H A 28 ALA HA 1.0 . 5.50 672 581 A 16 GLY H A 15 GLY H 1.0 . 3.28 673 582 A 13 PHE HBy A 15 GLY H 1.0 . 5.50 674 583 A 12 LEU HDx% A 8 ARG HDx 1.0 . 3.50 675 583 A 8 ARG HDy A 12 LEU HDx% 1.0 . 3.50 676 584 A 49 LYS HA A 49 LYS HDx 1.0 . 3.96 677 584 A 49 LYS HDy A 49 LYS HA 1.0 . 3.96 678 585 A 46 GLU HA A 49 LYS HDx 1.0 . 3.21 679 585 A 49 LYS HDy A 46 GLU HA 1.0 . 3.21 680 586 A 12 LEU H A 8 ARG HDx 1.0 . 4.15 681 586 A 8 ARG HDy A 12 LEU H 1.0 . 4.15 682 587 A 8 ARG HDy A 25 ALA HB% 1.0 . 3.80 683 587 A 25 ALA HB% A 8 ARG HDx 1.0 . 3.80 684 588 A 57 THR HG2% A 49 LYS HDx 1.0 . 4.26 685 588 A 49 LYS HDy A 57 THR HG2% 1.0 . 4.26 686 589 A 80 ALA HB% A 49 LYS HEx 1.0 . 3.50 687 589 A 80 ALA HB% A 49 LYS HEy 1.0 . 3.50 688 590 A 46 GLU HA A 49 LYS HEx 1.0 . 3.62 689 590 A 46 GLU HA A 49 LYS HEy 1.0 . 3.62 690 591 A 76 LEU H A 61 PRO HDy 1.0 . 3.93 691 591 A 76 LEU H A 61 PRO HDx 1.0 . 3.93 692 592 A 76 LEU HBy A 61 PRO HDy 1.0 . 4.34 693 592 A 76 LEU HBy A 61 PRO HDx 1.0 . 4.34 694 593 A 76 LEU HD11 A 61 PRO HDy 1.0 . 4.73 695 593 A 76 LEU HD11 A 61 PRO HDx 1.0 . 4.73 696 594 A 76 LEU HD21 A 61 PRO HDy 1.0 . 3.70 697 594 A 76 LEU HD21 A 61 PRO HDx 1.0 . 3.70 698 595 A 80 ALA HA A 49 LYS HEx 1.0 . 4.21 699 595 A 80 ALA HA A 49 LYS HEy 1.0 . 4.21 700 596 A 57 THR HG2% A 49 LYS HEx 1.0 . 4.00 701 596 A 57 THR HG2% A 49 LYS HEy 1.0 . 4.00 702 597 A 36 ILE HA A 35 ARG HDx 1.0 . 5.50 703 598 A 35 ARG HBy A 35 ARG HDx 1.0 . 3.55 704 599 A 35 ARG H A 35 ARG HDx 1.0 . 5.50 705 600 A 35 ARG HA A 35 ARG HDx 1.0 . 5.44 stop_ save_