data_nef_c19178_2m7a save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 19179 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 38 HIS NE2 2 1 ZN ZN 1 35 CYS SG 2 1 ZN ZN 1 95 CYS SG 2 1 ZN ZN 1 92 CYS SG 2 1 ZN ZN stop_ 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 0 SER middle . . 3 A 1 MET middle . . 4 A 2 LYS middle . . 5 A 3 ARG middle . . 6 A 4 GLY middle . false 7 A 5 VAL middle . . 8 A 6 GLU middle . . 9 A 7 MET middle . . 10 A 8 SER middle . . 11 A 9 ILE middle . . 12 A 10 HIS middle . . 13 A 11 ASP middle . . 14 A 12 LEU middle . . 15 A 13 CYS middle . . 16 A 14 GLU middle . . 17 A 15 ASP middle . . 18 A 16 GLN middle . . 19 A 17 GLU middle . . 20 A 18 GLN middle . . 21 A 19 TRP middle . . 22 A 20 ALA middle . . 23 A 21 MET middle . . 24 A 22 GLN middle . . 25 A 23 THR middle . . 26 A 24 LEU middle . . 27 A 25 MET middle . . 28 A 26 GLY middle . false 29 A 27 SER middle . . 30 A 28 GLY middle . false 31 A 29 VAL middle . . 32 A 30 LEU middle . . 33 A 31 ALA middle . . 34 A 32 ARG middle . . 35 A 33 CYS middle -HG . 36 A 34 ARG middle . . 37 A 35 ILE middle . . 38 A 36 HIS middle -HE2 . 39 A 37 ASN middle . . 40 A 38 ASP middle . . 41 A 39 VAL middle . . 42 A 40 ILE middle . . 43 A 41 LEU middle . . 44 A 42 ASP middle . . 45 A 43 SER middle . . 46 A 44 GLY middle . false 47 A 45 ASN middle . . 48 A 46 ASP middle . . 49 A 47 ALA middle . . 50 A 48 SER middle . . 51 A 49 SER middle . . 52 A 50 ALA middle . . 53 A 51 TYR middle . . 54 A 52 LYS middle . . 55 A 53 LEU middle . . 56 A 54 GLY middle . false 57 A 55 THR middle . . 58 A 56 TYR middle . . 59 A 57 LEU middle . . 60 A 58 TYR middle . . 61 A 59 GLN middle . . 62 A 60 LYS middle . . 63 A 61 ASP middle . . 64 A 62 ASN middle . . 65 A 63 SER middle . . 66 A 64 CYS middle . . 67 A 65 ASN middle . . 68 A 66 LEU middle . . 69 A 67 PHE middle . . 70 A 68 ASN middle . . 71 A 69 THR middle . . 72 A 70 LEU middle . . 73 A 71 THR middle . . 74 A 72 GLU middle . . 75 A 73 ALA middle . . 76 A 74 ARG middle . . 77 A 75 ASP middle . . 78 A 76 ALA middle . . 79 A 77 ILE middle . . 80 A 78 LYS middle . . 81 A 79 ASP middle . . 82 A 80 ALA middle . . 83 A 81 TYR middle . . 84 A 82 GLU middle . . 85 A 83 SER middle . . 86 A 84 TYR middle . . 87 A 85 CYS middle . . 88 A 86 GLY middle . false 89 A 87 ILE middle . . 90 A 88 ASP middle . . 91 A 89 ASP middle . . 92 A 90 CYS middle -HG . 93 A 91 PRO middle . false 94 A 92 GLN middle . . 95 A 93 CYS middle -HG . 96 A 94 SER middle . . 97 A 95 LYS middle . . 98 A 96 TYR middle . . 99 A 97 ILE middle . . 100 A 98 ASP middle . . 101 A 99 ASP end . . 102 B 1 ZN . . . stop_ save_ save_assigned_chem_shift_list _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list 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 HE% H 1 2.058 0.03 A 1 MET CE C 13 16.839 0.20 A 4 GLY H H 1 8.514 0.03 A 4 GLY N N 15 110.601 0.10 A 5 VAL H H 1 8.028 0.03 A 5 VAL HGx% H 1 0.926 0.03 A 5 VAL HGy% H 1 0.915 0.03 A 5 VAL CGy C 13 21.114 0.20 A 5 VAL CGx C 13 20.331 0.20 A 5 VAL N N 15 119.058 0.10 A 6 GLU H H 1 8.576 0.03 A 6 GLU N N 15 124.028 0.10 A 7 MET H H 1 8.354 0.03 A 7 MET N N 15 121.533 0.10 A 8 SER H H 1 8.475 0.03 A 8 SER N N 15 117.557 0.10 A 9 ILE H H 1 8.169 0.03 A 9 ILE HD1% H 1 0.808 0.03 A 9 ILE HG2% H 1 0.815 0.03 A 9 ILE CA C 13 61.957 0.20 A 9 ILE CB C 13 38.522 0.20 A 9 ILE CD1 C 13 13.129 0.20 A 9 ILE CG1 C 13 27.221 0.20 A 9 ILE CG2 C 13 17.375 0.20 A 9 ILE N N 15 121.943 0.10 A 10 HIS H H 1 8.570 0.03 A 10 HIS HA H 1 3.821 0.03 A 10 HIS HD2 H 1 6.968 0.03 A 10 HIS HE1 H 1 7.689 0.03 A 10 HIS C C 13 174.068 0.20 A 10 HIS CA C 13 56.332 0.20 A 10 HIS CB C 13 29.901 0.20 A 10 HIS CD2 C 13 119.994 0.20 A 10 HIS CE1 C 13 138.311 0.20 A 10 HIS N N 15 125.530 0.10 A 16 GLN HA H 1 4.330 0.03 A 17 GLU H H 1 8.422 0.03 A 17 GLU HA H 1 4.329 0.03 A 17 GLU HBy H 1 2.187 0.03 A 17 GLU HBx H 1 2.178 0.03 A 17 GLU HGx H 1 2.322 0.03 A 17 GLU HGy H 1 2.417 0.03 A 17 GLU N N 15 119.126 0.10 A 18 GLN H H 1 8.729 0.03 A 18 GLN HA H 1 4.081 0.03 A 18 GLN HBy H 1 2.247 0.03 A 18 GLN HBx H 1 2.233 0.03 A 18 GLN HG2 H 1 2.053 0.03 A 18 GLN HG3 H 1 2.053 0.03 A 18 GLN N N 15 120.450 0.10 A 19 TRP H H 1 8.561 0.03 A 19 TRP HA H 1 4.125 0.03 A 19 TRP HBx H 1 3.351 0.03 A 19 TRP HBy H 1 3.622 0.03 A 19 TRP HD1 H 1 7.441 0.03 A 19 TRP HE1 H 1 10.133 0.03 A 19 TRP HE3 H 1 7.541 0.03 A 19 TRP HH2 H 1 6.918 0.03 A 19 TRP HZ2 H 1 7.589 0.03 A 19 TRP HZ3 H 1 6.932 0.03 A 19 TRP C C 13 179.400 0.20 A 19 TRP CA C 13 62.361 0.20 A 19 TRP CB C 13 29.938 0.20 A 19 TRP CD1 C 13 128.105 0.20 A 19 TRP CE3 C 13 120.124 0.20 A 19 TRP CH2 C 13 123.991 0.20 A 19 TRP CZ2 C 13 114.082 0.20 A 19 TRP CZ3 C 13 122.183 0.20 A 19 TRP N N 15 121.902 0.10 A 19 TRP NE1 N 15 128.878 0.10 A 20 ALA H H 1 8.828 0.03 A 20 ALA HA H 1 3.815 0.03 A 20 ALA HB% H 1 1.658 0.03 A 20 ALA C C 13 180.433 0.20 A 20 ALA CA C 13 55.619 0.20 A 20 ALA CB C 13 18.474 0.20 A 20 ALA N N 15 122.759 0.10 A 21 MET H H 1 8.702 0.03 A 21 MET HA H 1 4.479 0.03 A 21 MET HB2 H 1 2.032 0.03 A 21 MET HE% H 1 1.700 0.03 A 21 MET HG3 H 1 2.266 0.03 A 21 MET C C 13 178.744 0.20 A 21 MET CA C 13 56.778 0.20 A 21 MET CB C 13 29.956 0.20 A 21 MET CE C 13 15.913 0.20 A 21 MET N N 15 117.474 0.10 A 22 GLN H H 1 8.531 0.03 A 22 GLN HA H 1 4.025 0.03 A 22 GLN HBx H 1 2.033 0.03 A 22 GLN HBy H 1 2.170 0.03 A 22 GLN HE21 H 1 7.454 0.03 A 22 GLN HE22 H 1 6.930 0.03 A 22 GLN HGy H 1 2.464 0.03 A 22 GLN HGx H 1 2.396 0.03 A 22 GLN C C 13 180.104 0.20 A 22 GLN CA C 13 58.872 0.20 A 22 GLN CB C 13 27.880 0.20 A 22 GLN CG C 13 34.163 0.20 A 22 GLN N N 15 119.738 0.10 A 22 GLN NE2 N 15 111.834 0.10 A 23 THR H H 1 7.752 0.03 A 23 THR HA H 1 3.715 0.03 A 23 THR HB H 1 3.858 0.03 A 23 THR HG2% H 1 0.636 0.03 A 23 THR C C 13 177.477 0.20 A 23 THR CA C 13 66.380 0.20 A 23 THR CB C 13 67.579 0.20 A 23 THR CG2 C 13 22.043 0.20 A 23 THR N N 15 117.049 0.10 A 24 LEU H H 1 7.886 0.03 A 24 LEU HA H 1 3.731 0.03 A 24 LEU HB3 H 1 1.547 0.03 A 24 LEU HDx% H 1 0.467 0.03 A 24 LEU HDy% H 1 0.513 0.03 A 24 LEU C C 13 178.544 0.20 A 24 LEU CA C 13 58.882 0.20 A 24 LEU CB C 13 41.550 0.20 A 24 LEU CDy C 13 25.518 0.20 A 24 LEU CDx C 13 22.728 0.20 A 24 LEU N N 15 125.735 0.10 A 25 MET H H 1 8.619 0.03 A 25 MET HA H 1 4.717 0.03 A 25 MET HBx H 1 2.522 0.03 A 25 MET HBy H 1 2.621 0.03 A 25 MET HE% H 1 1.832 0.03 A 25 MET HGy H 1 2.078 0.03 A 25 MET HGx H 1 2.012 0.03 A 25 MET C C 13 181.465 0.20 A 25 MET CA C 13 55.604 0.20 A 25 MET CB C 13 32.071 0.20 A 25 MET CE C 13 18.321 0.20 A 25 MET CG C 13 33.049 0.20 A 25 MET N N 15 118.622 0.10 A 26 GLY H H 1 8.953 0.03 A 26 GLY HAx H 1 3.759 0.03 A 26 GLY HAy H 1 3.912 0.03 A 26 GLY C C 13 174.662 0.20 A 26 GLY CA C 13 46.788 0.20 A 26 GLY N N 15 110.755 0.10 A 27 SER H H 1 7.335 0.03 A 27 SER HA H 1 4.422 0.03 A 27 SER HBy H 1 3.795 0.03 A 27 SER HBx H 1 3.779 0.03 A 27 SER C C 13 175.612 0.20 A 27 SER CA C 13 58.309 0.20 A 27 SER CB C 13 64.423 0.20 A 27 SER N N 15 109.977 0.10 A 28 GLY H H 1 7.536 0.03 A 28 GLY HAx H 1 3.839 0.03 A 28 GLY HAy H 1 4.114 0.03 A 28 GLY C C 13 174.029 0.20 A 28 GLY CA C 13 45.371 0.20 A 28 GLY N N 15 110.105 0.10 A 29 VAL H H 1 7.738 0.03 A 29 VAL HA H 1 4.720 0.03 A 29 VAL HB H 1 1.909 0.03 A 29 VAL HGx% H 1 0.871 0.03 A 29 VAL HGy% H 1 0.852 0.03 A 29 VAL C C 13 177.149 0.20 A 29 VAL CA C 13 66.474 0.20 A 29 VAL CB C 13 32.694 0.20 A 29 VAL CGy C 13 24.841 0.20 A 29 VAL CGx C 13 21.971 0.20 A 29 VAL N N 15 121.444 0.10 A 30 LEU H H 1 7.090 0.03 A 30 LEU HA H 1 5.349 0.03 A 30 LEU HBx H 1 1.270 0.03 A 30 LEU HBy H 1 1.297 0.03 A 30 LEU HDx% H 1 1.045 0.03 A 30 LEU HDy% H 1 0.994 0.03 A 30 LEU C C 13 174.427 0.20 A 30 LEU CA C 13 52.231 0.20 A 30 LEU CB C 13 43.525 0.20 A 30 LEU CDx C 13 22.250 0.20 A 30 LEU CDy C 13 25.458 0.20 A 30 LEU N N 15 115.594 0.10 A 31 ALA H H 1 8.981 0.03 A 31 ALA HA H 1 4.539 0.03 A 31 ALA HB% H 1 1.275 0.03 A 31 ALA C C 13 175.130 0.20 A 31 ALA CA C 13 50.963 0.20 A 31 ALA CB C 13 22.314 0.20 A 31 ALA N N 15 122.020 0.10 A 32 ARG H H 1 8.223 0.03 A 32 ARG HA H 1 5.342 0.03 A 32 ARG C C 13 178.051 0.20 A 32 ARG CA C 13 54.543 0.20 A 32 ARG CB C 13 31.485 0.20 A 32 ARG CD C 13 42.584 0.20 A 32 ARG CG C 13 28.852 0.20 A 32 ARG N N 15 118.606 0.10 A 33 CYS H H 1 8.314 0.03 A 33 CYS HA H 1 4.117 0.03 A 33 CYS HB3 H 1 2.771 0.03 A 33 CYS C C 13 175.978 0.20 A 33 CYS CA C 13 60.620 0.20 A 33 CYS CB C 13 27.213 0.20 A 33 CYS N N 15 125.750 0.10 A 34 ARG H H 1 8.578 0.03 A 34 ARG HA H 1 3.926 0.03 A 34 ARG HBx H 1 1.820 0.03 A 34 ARG HBy H 1 1.838 0.03 A 34 ARG HDx H 1 3.179 0.03 A 34 ARG HDy H 1 3.205 0.03 A 34 ARG HGy H 1 1.681 0.03 A 34 ARG HGx H 1 1.669 0.03 A 34 ARG C C 13 176.565 0.20 A 34 ARG CA C 13 58.719 0.20 A 34 ARG CB C 13 30.159 0.20 A 34 ARG CD C 13 43.243 0.20 A 34 ARG CG C 13 27.441 0.20 A 34 ARG N N 15 128.053 0.10 A 35 ILE H H 1 8.932 0.03 A 35 ILE HA H 1 3.843 0.03 A 35 ILE HB H 1 1.229 0.03 A 35 ILE HD1% H 1 0.721 0.03 A 35 ILE HG2% H 1 0.175 0.03 A 35 ILE C C 13 176.028 0.20 A 35 ILE CA C 13 62.035 0.20 A 35 ILE CB C 13 39.125 0.20 A 35 ILE CD1 C 13 11.756 0.20 A 35 ILE CG1 C 13 27.901 0.20 A 35 ILE CG2 C 13 16.424 0.20 A 35 ILE N N 15 122.502 0.10 A 36 HIS H H 1 8.078 0.03 A 36 HIS HA H 1 4.569 0.03 A 36 HIS HBy H 1 3.127 0.03 A 36 HIS HBx H 1 2.969 0.03 A 36 HIS HD2 H 1 7.176 0.03 A 36 HIS HE1 H 1 7.689 0.03 A 36 HIS CB C 13 31.187 0.20 A 36 HIS CD2 C 13 119.096 0.20 A 36 HIS CE1 C 13 138.820 0.20 A 36 HIS N N 15 121.974 0.10 A 37 ASN H H 1 8.386 0.03 A 37 ASN HA H 1 4.399 0.03 A 37 ASN HBx H 1 2.681 0.03 A 37 ASN HBy H 1 2.774 0.03 A 37 ASN HD21 H 1 6.851 0.03 A 37 ASN HD22 H 1 7.802 0.03 A 37 ASN C C 13 173.906 0.20 A 37 ASN CA C 13 56.407 0.20 A 37 ASN CB C 13 39.331 0.20 A 37 ASN N N 15 119.433 0.10 A 37 ASN ND2 N 15 113.008 0.10 A 38 ASP H H 1 8.880 0.03 A 38 ASP HA H 1 4.385 0.03 A 38 ASP HBx H 1 2.692 0.03 A 38 ASP HBy H 1 2.705 0.03 A 38 ASP C C 13 175.841 0.20 A 38 ASP CA C 13 53.983 0.20 A 38 ASP CB C 13 40.263 0.20 A 38 ASP N N 15 112.673 0.10 A 39 VAL H H 1 8.253 0.03 A 39 VAL HA H 1 3.944 0.03 A 39 VAL HB H 1 2.471 0.03 A 39 VAL HGx% H 1 1.023 0.03 A 39 VAL HGy% H 1 1.207 0.03 A 39 VAL C C 13 173.731 0.20 A 39 VAL CA C 13 63.514 0.20 A 39 VAL CB C 13 32.408 0.20 A 39 VAL CGy C 13 21.548 0.20 A 39 VAL CGx C 13 20.854 0.20 A 39 VAL N N 15 124.385 0.10 A 40 ILE H H 1 7.836 0.03 A 40 ILE HA H 1 4.222 0.03 A 40 ILE HB H 1 1.494 0.03 A 40 ILE HD1% H 1 0.553 0.03 A 40 ILE HG1x H 1 0.743 0.03 A 40 ILE HG1y H 1 1.326 0.03 A 40 ILE HG2% H 1 0.301 0.03 A 40 ILE C C 13 174.090 0.20 A 40 ILE CA C 13 60.635 0.20 A 40 ILE CB C 13 38.281 0.20 A 40 ILE CD1 C 13 12.352 0.20 A 40 ILE CG1 C 13 28.157 0.20 A 40 ILE CG2 C 13 18.765 0.20 A 40 ILE N N 15 128.130 0.10 A 41 LEU H H 1 8.836 0.03 A 41 LEU HA H 1 4.884 0.03 A 41 LEU HBx H 1 1.060 0.03 A 41 LEU HBy H 1 1.457 0.03 A 41 LEU HDx% H 1 0.764 0.03 A 41 LEU HDy% H 1 0.593 0.03 A 41 LEU C C 13 175.989 0.20 A 41 LEU CA C 13 52.654 0.20 A 41 LEU CB C 13 45.122 0.20 A 41 LEU CDy C 13 25.485 0.20 A 41 LEU CDx C 13 23.607 0.20 A 41 LEU N N 15 124.924 0.10 A 42 ASP H H 1 8.725 0.03 A 42 ASP HA H 1 4.858 0.03 A 42 ASP HBy H 1 2.867 0.03 A 42 ASP HBx H 1 2.665 0.03 A 42 ASP C C 13 176.128 0.20 A 42 ASP CA C 13 53.328 0.20 A 42 ASP CB C 13 41.408 0.20 A 42 ASP N N 15 119.247 0.10 A 43 SER H H 1 8.462 0.03 A 43 SER HA H 1 4.178 0.03 A 43 SER HBx H 1 3.725 0.03 A 43 SER HBy H 1 3.933 0.03 A 43 SER C C 13 176.291 0.20 A 43 SER CA C 13 60.431 0.20 A 43 SER CB C 13 64.943 0.20 A 43 SER N N 15 123.344 0.10 A 44 GLY H H 1 9.230 0.03 A 44 GLY HAx H 1 3.675 0.03 A 44 GLY HAy H 1 4.275 0.03 A 44 GLY C C 13 174.525 0.20 A 44 GLY CA C 13 45.368 0.20 A 44 GLY N N 15 112.184 0.10 A 45 ASN H H 1 8.486 0.03 A 45 ASN HA H 1 4.681 0.03 A 45 ASN HBx H 1 2.206 0.03 A 45 ASN HBy H 1 2.545 0.03 A 45 ASN HD21 H 1 6.816 0.03 A 45 ASN HD22 H 1 7.677 0.03 A 45 ASN C C 13 174.866 0.20 A 45 ASN CA C 13 52.807 0.20 A 45 ASN CB C 13 39.241 0.20 A 45 ASN N N 15 119.774 0.10 A 45 ASN ND2 N 15 112.642 0.10 A 46 ASP H H 1 8.387 0.03 A 46 ASP HA H 1 4.367 0.03 A 46 ASP HBx H 1 2.705 0.03 A 46 ASP HBy H 1 2.724 0.03 A 46 ASP C C 13 177.272 0.20 A 46 ASP CA C 13 54.869 0.20 A 46 ASP CB C 13 42.461 0.20 A 46 ASP N N 15 120.223 0.10 A 47 ALA H H 1 8.747 0.03 A 47 ALA HA H 1 3.741 0.03 A 47 ALA HB% H 1 0.530 0.03 A 47 ALA C C 13 177.980 0.20 A 47 ALA CA C 13 53.866 0.20 A 47 ALA CB C 13 16.554 0.20 A 47 ALA N N 15 126.587 0.10 A 48 SER H H 1 8.973 0.03 A 48 SER HA H 1 4.203 0.03 A 48 SER HB3 H 1 3.948 0.03 A 48 SER CA C 13 61.994 0.20 A 48 SER N N 15 115.463 0.10 A 49 SER C C 13 176.587 0.20 A 49 SER CA C 13 62.279 0.20 A 50 ALA H H 1 7.620 0.03 A 50 ALA HA H 1 4.076 0.03 A 50 ALA HB% H 1 1.176 0.03 A 50 ALA C C 13 179.125 0.20 A 50 ALA CA C 13 54.822 0.20 A 50 ALA CB C 13 18.834 0.20 A 50 ALA N N 15 125.775 0.10 A 51 TYR H H 1 7.397 0.03 A 51 TYR HA H 1 4.275 0.03 A 51 TYR HBx H 1 2.954 0.03 A 51 TYR HBy H 1 3.099 0.03 A 51 TYR HDx H 1 6.878 0.03 A 51 TYR HDy H 1 6.878 0.03 A 51 TYR HEx H 1 6.717 0.03 A 51 TYR HEy H 1 6.717 0.03 A 51 TYR C C 13 179.622 0.20 A 51 TYR CA C 13 60.966 0.20 A 51 TYR CB C 13 36.803 0.20 A 51 TYR CDx C 13 131.745 0.20 A 51 TYR CDy C 13 131.745 0.20 A 51 TYR CEx C 13 117.835 0.20 A 51 TYR CEy C 13 117.835 0.20 A 51 TYR N N 15 117.562 0.10 A 52 LYS H H 1 8.332 0.03 A 52 LYS HA H 1 4.103 0.03 A 52 LYS HB3 H 1 1.898 0.03 A 52 LYS C C 13 179.041 0.20 A 52 LYS CA C 13 59.827 0.20 A 52 LYS N N 15 121.441 0.10 A 53 LEU H H 1 7.671 0.03 A 53 LEU HA H 1 4.376 0.03 A 53 LEU HBy H 1 1.830 0.03 A 53 LEU HBx H 1 1.619 0.03 A 53 LEU HDx% H 1 0.946 0.03 A 53 LEU HDy% H 1 0.970 0.03 A 53 LEU C C 13 178.373 0.20 A 53 LEU CA C 13 57.863 0.20 A 53 LEU CB C 13 41.288 0.20 A 53 LEU CDx C 13 23.568 0.20 A 53 LEU CDy C 13 25.823 0.20 A 53 LEU N N 15 122.286 0.10 A 54 GLY H H 1 9.020 0.03 A 54 GLY HAx H 1 3.685 0.03 A 54 GLY HAy H 1 3.806 0.03 A 54 GLY C C 13 174.865 0.20 A 54 GLY CA C 13 47.971 0.20 A 55 THR H H 1 8.123 0.03 A 55 THR HA H 1 4.445 0.03 A 55 THR HB H 1 4.025 0.03 A 55 THR HG2% H 1 1.335 0.03 A 55 THR C C 13 175.188 0.20 A 55 THR CA C 13 67.593 0.20 A 55 THR CG2 C 13 20.525 0.20 A 55 THR N N 15 117.961 0.10 A 56 TYR H H 1 7.697 0.03 A 56 TYR HA H 1 4.346 0.03 A 56 TYR HBx H 1 3.230 0.03 A 56 TYR HBy H 1 3.358 0.03 A 56 TYR HDx H 1 7.127 0.03 A 56 TYR HDy H 1 7.127 0.03 A 56 TYR HEx H 1 6.872 0.03 A 56 TYR HEy H 1 6.872 0.03 A 56 TYR C C 13 177.909 0.20 A 56 TYR CA C 13 61.147 0.20 A 56 TYR CB C 13 37.981 0.20 A 56 TYR CEx C 13 117.824 0.20 A 56 TYR CEy C 13 117.824 0.20 A 56 TYR N N 15 122.294 0.10 A 57 LEU H H 1 8.909 0.03 A 57 LEU HA H 1 3.914 0.03 A 57 LEU HBy H 1 2.276 0.03 A 57 LEU HBx H 1 1.923 0.03 A 57 LEU HDx% H 1 0.767 0.03 A 57 LEU HDy% H 1 1.012 0.03 A 57 LEU C C 13 180.087 0.20 A 57 LEU CA C 13 57.780 0.20 A 57 LEU CB C 13 42.026 0.20 A 57 LEU CDy C 13 25.974 0.20 A 57 LEU CDx C 13 22.173 0.20 A 57 LEU N N 15 118.703 0.10 A 58 TYR H H 1 8.971 0.03 A 58 TYR HA H 1 4.209 0.03 A 58 TYR HBx H 1 3.132 0.03 A 58 TYR HBy H 1 3.168 0.03 A 58 TYR HDx H 1 6.922 0.03 A 58 TYR HDy H 1 6.922 0.03 A 58 TYR HEx H 1 6.755 0.03 A 58 TYR HEy H 1 6.755 0.03 A 58 TYR C C 13 177.511 0.20 A 58 TYR CA C 13 61.641 0.20 A 58 TYR CDx C 13 132.313 0.20 A 58 TYR CDy C 13 132.313 0.20 A 58 TYR CEx C 13 117.813 0.20 A 58 TYR CEy C 13 117.813 0.20 A 58 TYR N N 15 120.667 0.10 A 59 GLN H H 1 8.378 0.03 A 59 GLN HA H 1 4.668 0.03 A 59 GLN HG2 H 1 3.202 0.03 A 59 GLN HG3 H 1 3.202 0.03 A 59 GLN C C 13 179.270 0.20 A 59 GLN N N 15 119.344 0.10 A 66 LEU HDx% H 1 1.125 0.03 A 66 LEU HDy% H 1 0.712 0.03 A 66 LEU CDy C 13 26.477 0.20 A 66 LEU CDx C 13 24.715 0.20 A 67 PHE HA H 1 4.852 0.03 A 67 PHE HDx H 1 7.225 0.03 A 67 PHE HDy H 1 7.225 0.03 A 67 PHE HEx H 1 6.821 0.03 A 67 PHE HEy H 1 6.821 0.03 A 67 PHE C C 13 175.889 0.20 A 67 PHE CA C 13 55.576 0.20 A 67 PHE CB C 13 42.444 0.20 A 67 PHE CDx C 13 133.675 0.20 A 67 PHE CDy C 13 133.675 0.20 A 67 PHE CEx C 13 132.007 0.20 A 67 PHE CEy C 13 132.007 0.20 A 68 ASN H H 1 9.560 0.03 A 68 ASN HBy H 1 3.208 0.03 A 68 ASN HBx H 1 2.959 0.03 A 68 ASN HD21 H 1 7.030 0.03 A 68 ASN HD22 H 1 8.220 0.03 A 68 ASN C C 13 175.338 0.20 A 68 ASN CA C 13 55.092 0.20 A 68 ASN CB C 13 40.006 0.20 A 68 ASN N N 15 120.775 0.10 A 68 ASN ND2 N 15 116.003 0.10 A 69 THR H H 1 7.237 0.03 A 69 THR HA H 1 4.732 0.03 A 69 THR HB H 1 4.522 0.03 A 69 THR HG2% H 1 1.176 0.03 A 69 THR C C 13 173.530 0.20 A 69 THR CA C 13 58.877 0.20 A 69 THR CB C 13 73.620 0.20 A 69 THR CG2 C 13 21.921 0.20 A 69 THR N N 15 127.914 0.10 A 70 LEU H H 1 8.614 0.03 A 70 LEU HA H 1 3.005 0.03 A 70 LEU HBy H 1 1.620 0.03 A 70 LEU HBx H 1 1.412 0.03 A 70 LEU HDx% H 1 0.876 0.03 A 70 LEU HDy% H 1 0.930 0.03 A 70 LEU C C 13 178.252 0.20 A 70 LEU CA C 13 56.721 0.20 A 70 LEU CB C 13 41.199 0.20 A 70 LEU CDx C 13 23.658 0.20 A 70 LEU CDy C 13 24.974 0.20 A 70 LEU N N 15 122.013 0.10 A 71 THR H H 1 7.694 0.03 A 71 THR HA H 1 3.620 0.03 A 71 THR HB H 1 3.834 0.03 A 71 THR HG2% H 1 1.150 0.03 A 71 THR C C 13 175.400 0.20 A 71 THR CA C 13 66.405 0.20 A 71 THR CB C 13 68.517 0.20 A 71 THR CG2 C 13 21.714 0.20 A 71 THR N N 15 114.041 0.10 A 72 GLU H H 1 7.514 0.03 A 72 GLU HA H 1 3.997 0.03 A 72 GLU HBy H 1 2.231 0.03 A 72 GLU HBx H 1 2.204 0.03 A 72 GLU HGx H 1 2.395 0.03 A 72 GLU HGy H 1 2.397 0.03 A 72 GLU C C 13 178.982 0.20 A 72 GLU CA C 13 59.250 0.20 A 72 GLU CB C 13 30.907 0.20 A 72 GLU CG C 13 37.152 0.20 A 72 GLU N N 15 120.141 0.10 A 73 ALA H H 1 6.788 0.03 A 73 ALA HA H 1 2.167 0.03 A 73 ALA HB% H 1 0.639 0.03 A 73 ALA C C 13 178.959 0.20 A 73 ALA CA C 13 54.323 0.20 A 73 ALA CB C 13 17.561 0.20 A 73 ALA N N 15 123.400 0.10 A 74 ARG H H 1 8.145 0.03 A 74 ARG HA H 1 3.887 0.03 A 74 ARG HBy H 1 1.774 0.03 A 74 ARG HBx H 1 1.746 0.03 A 74 ARG C C 13 179.230 0.20 A 74 ARG CA C 13 60.442 0.20 A 74 ARG CB C 13 29.878 0.20 A 74 ARG CD C 13 43.591 0.20 A 74 ARG CG C 13 28.801 0.20 A 74 ARG N N 15 116.272 0.10 A 75 ASP H H 1 8.594 0.03 A 75 ASP HA H 1 4.446 0.03 A 75 ASP HBx H 1 2.680 0.03 A 75 ASP HBy H 1 2.748 0.03 A 75 ASP C C 13 178.040 0.20 A 75 ASP CA C 13 57.166 0.20 A 75 ASP CB C 13 39.687 0.20 A 75 ASP N N 15 120.487 0.10 A 76 ALA H H 1 7.668 0.03 A 76 ALA HA H 1 4.345 0.03 A 76 ALA HB% H 1 1.768 0.03 A 76 ALA C C 13 181.221 0.20 A 76 ALA CA C 13 55.245 0.20 A 76 ALA CB C 13 18.316 0.20 A 76 ALA N N 15 122.773 0.10 A 77 ILE H H 1 7.724 0.03 A 77 ILE HA H 1 3.632 0.03 A 77 ILE HB H 1 2.216 0.03 A 77 ILE HD1% H 1 1.016 0.03 A 77 ILE HG2% H 1 0.511 0.03 A 77 ILE C C 13 176.567 0.20 A 77 ILE CA C 13 66.365 0.20 A 77 ILE CB C 13 37.947 0.20 A 77 ILE CD1 C 13 15.363 0.20 A 77 ILE CG1 C 13 29.344 0.20 A 77 ILE CG2 C 13 17.533 0.20 A 77 ILE N N 15 120.254 0.10 A 78 LYS H H 1 8.465 0.03 A 78 LYS HA H 1 4.265 0.03 A 78 LYS C C 13 178.382 0.20 A 78 LYS CA C 13 60.442 0.20 A 78 LYS CB C 13 33.021 0.20 A 78 LYS N N 15 122.773 0.10 A 79 ASP H H 1 8.541 0.03 A 79 ASP HA H 1 4.353 0.03 A 79 ASP HBx H 1 2.679 0.03 A 79 ASP HBy H 1 2.744 0.03 A 79 ASP C C 13 179.289 0.20 A 79 ASP CA C 13 57.245 0.20 A 79 ASP N N 15 118.165 0.10 A 80 ALA H H 1 7.727 0.03 A 80 ALA HA H 1 4.340 0.03 A 80 ALA HB% H 1 1.564 0.03 A 80 ALA C C 13 179.265 0.20 A 80 ALA CA C 13 54.979 0.20 A 80 ALA CB C 13 18.254 0.20 A 80 ALA N N 15 122.362 0.10 A 81 TYR H H 1 9.037 0.03 A 81 TYR HA H 1 4.115 0.03 A 81 TYR HBy H 1 3.193 0.03 A 81 TYR HBx H 1 3.176 0.03 A 81 TYR HDx H 1 6.944 0.03 A 81 TYR HDy H 1 6.944 0.03 A 81 TYR HEx H 1 6.792 0.03 A 81 TYR HEy H 1 6.792 0.03 A 81 TYR C C 13 178.146 0.20 A 81 TYR CA C 13 61.635 0.20 A 81 TYR CB C 13 38.115 0.20 A 81 TYR N N 15 118.882 0.10 A 82 GLU H H 1 8.854 0.03 A 82 GLU HA H 1 3.816 0.03 A 82 GLU HBx H 1 2.020 0.03 A 82 GLU HBy H 1 2.149 0.03 A 82 GLU HGy H 1 2.335 0.03 A 82 GLU HGx H 1 2.327 0.03 A 82 GLU C C 13 178.664 0.20 A 82 GLU CA C 13 59.304 0.20 A 82 GLU CB C 13 28.848 0.20 A 82 GLU CG C 13 37.714 0.20 A 82 GLU N N 15 116.630 0.10 A 83 SER H H 1 7.573 0.03 A 83 SER HA H 1 4.164 0.03 A 83 SER HBy H 1 3.367 0.03 A 83 SER HBx H 1 3.350 0.03 A 83 SER C C 13 174.387 0.20 A 83 SER CA C 13 61.038 0.20 A 83 SER CB C 13 63.152 0.20 A 83 SER N N 15 114.004 0.10 A 84 TYR H H 1 7.319 0.03 A 84 TYR HA H 1 4.595 0.03 A 84 TYR HBx H 1 3.138 0.03 A 84 TYR HBy H 1 3.154 0.03 A 84 TYR HDx H 1 7.215 0.03 A 84 TYR HDy H 1 7.215 0.03 A 84 TYR HEx H 1 6.816 0.03 A 84 TYR HEy H 1 6.816 0.03 A 84 TYR C C 13 174.434 0.20 A 84 TYR CA C 13 58.871 0.20 A 84 TYR CB C 13 41.746 0.20 A 84 TYR CDx C 13 133.624 0.20 A 84 TYR CDy C 13 133.624 0.20 A 84 TYR CEx C 13 117.512 0.20 A 84 TYR CEy C 13 117.512 0.20 A 84 TYR N N 15 117.323 0.10 A 85 CYS H H 1 7.670 0.03 A 85 CYS HA H 1 3.940 0.03 A 85 CYS HBx H 1 2.230 0.03 A 85 CYS HBy H 1 2.888 0.03 A 85 CYS C C 13 176.178 0.20 A 85 CYS CA C 13 58.817 0.20 A 85 CYS CB C 13 26.042 0.20 A 85 CYS N N 15 118.762 0.10 A 86 GLY H H 1 10.799 0.03 A 86 GLY HAy H 1 4.094 0.03 A 86 GLY HAx H 1 3.738 0.03 A 86 GLY C C 13 174.587 0.20 A 86 GLY CA C 13 45.214 0.20 A 86 GLY N N 15 113.730 0.10 A 87 ILE H H 1 8.023 0.03 A 87 ILE HA H 1 4.291 0.03 A 87 ILE HB H 1 2.393 0.03 A 87 ILE HD1% H 1 0.990 0.03 A 87 ILE HG1x H 1 1.028 0.03 A 87 ILE HG1y H 1 1.042 0.03 A 87 ILE HG2% H 1 1.067 0.03 A 87 ILE C C 13 174.340 0.20 A 87 ILE CA C 13 60.968 0.20 A 87 ILE CB C 13 35.512 0.20 A 87 ILE CD1 C 13 12.846 0.20 A 87 ILE CG1 C 13 26.751 0.20 A 87 ILE CG2 C 13 17.360 0.20 A 87 ILE N N 15 122.743 0.10 A 88 ASP H H 1 8.127 0.03 A 88 ASP HA H 1 4.750 0.03 A 88 ASP HBx H 1 2.598 0.03 A 88 ASP HBy H 1 2.694 0.03 A 88 ASP C C 13 175.895 0.20 A 88 ASP CA C 13 54.319 0.20 A 88 ASP CB C 13 41.692 0.20 A 88 ASP N N 15 125.059 0.10 A 89 ASP H H 1 7.617 0.03 A 89 ASP HA H 1 4.822 0.03 A 89 ASP HBx H 1 2.422 0.03 A 89 ASP HBy H 1 2.513 0.03 A 89 ASP C C 13 174.069 0.20 A 89 ASP CA C 13 52.369 0.20 A 89 ASP CB C 13 43.625 0.20 A 89 ASP N N 15 117.971 0.10 A 90 CYS H H 1 8.936 0.03 A 90 CYS C C 13 175.636 0.20 A 90 CYS CA C 13 56.215 0.20 A 90 CYS N N 15 126.238 0.10 A 91 PRO HA H 1 4.460 0.03 A 91 PRO HBy H 1 1.970 0.03 A 91 PRO HBx H 1 1.968 0.03 A 91 PRO HDy H 1 2.115 0.03 A 91 PRO HDx H 1 2.106 0.03 A 91 PRO HG2 H 1 0.897 0.03 A 91 PRO HG3 H 1 0.897 0.03 A 91 PRO C C 13 178.629 0.20 A 91 PRO CA C 13 64.614 0.20 A 91 PRO CB C 13 32.208 0.20 A 91 PRO CG C 13 27.474 0.20 A 92 GLN H H 1 8.253 0.03 A 92 GLN HA H 1 4.060 0.03 A 92 GLN HBx H 1 0.616 0.03 A 92 GLN HBy H 1 1.015 0.03 A 92 GLN HE21 H 1 6.976 0.03 A 92 GLN HE22 H 1 7.239 0.03 A 92 GLN HGy H 1 2.046 0.03 A 92 GLN HGx H 1 2.041 0.03 A 92 GLN C C 13 178.181 0.20 A 92 GLN CA C 13 57.837 0.20 A 92 GLN CB C 13 28.252 0.20 A 92 GLN CG C 13 34.786 0.20 A 92 GLN N N 15 119.363 0.10 A 92 GLN NE2 N 15 112.584 0.10 A 93 CYS H H 1 8.581 0.03 A 93 CYS HA H 1 4.269 0.03 A 93 CYS HBy H 1 3.057 0.03 A 93 CYS HBx H 1 2.902 0.03 A 93 CYS C C 13 177.180 0.20 A 93 CYS CA C 13 64.366 0.20 A 93 CYS CB C 13 30.379 0.20 A 93 CYS N N 15 124.725 0.10 A 94 SER H H 1 7.753 0.03 A 94 SER HA H 1 4.277 0.03 A 94 SER HBx H 1 3.835 0.03 A 94 SER HBy H 1 3.838 0.03 A 94 SER C C 13 174.481 0.20 A 94 SER CA C 13 59.432 0.20 A 94 SER CB C 13 63.217 0.20 A 94 SER N N 15 113.467 0.10 A 95 LYS H H 1 7.520 0.03 A 95 LYS HA H 1 4.211 0.03 A 95 LYS HBy H 1 1.701 0.03 A 95 LYS HBx H 1 1.691 0.03 A 95 LYS HDx H 1 1.285 0.03 A 95 LYS HDy H 1 1.296 0.03 A 95 LYS HE2 H 1 2.936 0.03 A 95 LYS HE3 H 1 2.936 0.03 A 95 LYS HG2 H 1 1.580 0.03 A 95 LYS HG3 H 1 1.580 0.03 A 95 LYS C C 13 176.237 0.20 A 95 LYS CA C 13 56.622 0.20 A 95 LYS CB C 13 32.756 0.20 A 95 LYS CD C 13 29.128 0.20 A 95 LYS CE C 13 42.120 0.20 A 95 LYS CG C 13 24.378 0.20 A 95 LYS N N 15 121.369 0.10 A 96 TYR H H 1 8.005 0.03 A 96 TYR HA H 1 4.559 0.03 A 96 TYR HBx H 1 2.959 0.03 A 96 TYR HBy H 1 3.070 0.03 A 96 TYR HDx H 1 7.133 0.03 A 96 TYR HDy H 1 7.133 0.03 A 96 TYR HEx H 1 6.827 0.03 A 96 TYR HEy H 1 6.827 0.03 A 96 TYR C C 13 175.577 0.20 A 96 TYR CA C 13 58.039 0.20 A 96 TYR CB C 13 38.694 0.20 A 96 TYR CDx C 13 133.052 0.20 A 96 TYR CDy C 13 133.052 0.20 A 96 TYR CEx C 13 118.035 0.20 A 96 TYR CEy C 13 118.035 0.20 A 96 TYR N N 15 121.000 0.10 A 97 ILE H H 1 7.832 0.03 A 97 ILE HA H 1 4.120 0.03 A 97 ILE HB H 1 1.802 0.03 A 97 ILE HD1% H 1 0.857 0.03 A 97 ILE HG1y H 1 1.414 0.03 A 97 ILE HG1x H 1 1.108 0.03 A 97 ILE HG2% H 1 0.876 0.03 A 97 ILE C C 13 175.194 0.20 A 97 ILE CA C 13 60.929 0.20 A 97 ILE CB C 13 39.044 0.20 A 97 ILE CD1 C 13 13.004 0.20 A 97 ILE CG1 C 13 27.212 0.20 A 97 ILE CG2 C 13 17.352 0.20 A 97 ILE N N 15 123.003 0.10 A 98 ASP H H 1 8.245 0.03 A 98 ASP HA H 1 4.627 0.03 A 98 ASP HBx H 1 2.529 0.03 A 98 ASP HBy H 1 2.748 0.03 A 98 ASP C C 13 174.976 0.20 A 98 ASP CA C 13 54.184 0.20 A 98 ASP CB C 13 41.502 0.20 A 98 ASP N N 15 125.070 0.10 A 99 ASP H H 1 7.895 0.03 A 99 ASP CA C 13 56.018 0.20 A 99 ASP CB C 13 42.513 0.20 A 99 ASP N N 15 126.602 0.10 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 undefined _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 90 CYS SG A 33 CYS SG 1.0 . 3.95 2 2 A 93 CYS SG A 33 CYS SG 1.0 . 3.95 3 3 A 90 CYS SG A 93 CYS SG 1.0 . 3.95 4 4 A 33 CYS SG A 36 HIS NE2 1.0 . 3.95 5 5 A 90 CYS SG A 36 HIS NE2 1.0 . 3.95 6 6 A 93 CYS SG A 36 HIS NE2 1.0 . 3.95 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 46 ASP H A 46 ASP HBx 1.0 . 3.2 2 1 A 46 ASP H A 46 ASP HBy 1.0 . 3.2 3 2 A 73 ALA H A 72 GLU H 1.0 . 4.3 4 3 A 48 SER H A 51 TYR HD% 1.0 . 5.0 5 4 A 92 GLN H A 91 PRO HA 1.0 . 4.4 6 5 A 93 CYS H A 94 SER H 1.0 . 4.2 7 6 A 23 THR H A 22 GLN HA 1.0 . 4.8 8 7 A 98 ASP H A 97 ILE HG2% 1.0 . 4.1 9 8 A 52 LYS H A 53 LEU H 1.0 . 4.3 10 9 A 34 ARG H A 34 ARG HDx 1.0 . 4.9 11 9 A 34 ARG H A 34 ARG HDy 1.0 . 4.9 12 10 A 31 ALA H A 40 ILE HA 1.0 . 5.0 13 11 A 28 GLY H A 27 SER HA 1.0 . 5.0 14 12 A 58 TYR H A 57 LEU HBy 1.0 . 4.7 15 12 A 58 TYR H A 57 LEU HBx 1.0 . 4.7 16 13 A 33 CYS H A 41 LEU HDx% 1.0 . 5.0 17 14 A 90 CYS H A 41 LEU HDy% 1.0 . 4.4 18 15 A 44 GLY H A 42 ASP HBy 1.0 . 5.0 19 15 A 44 GLY H A 42 ASP HBx 1.0 . 5.0 20 16 A 96 TYR H A 96 TYR HD% 1.0 . 4.8 21 17 A 98 ASP H A 99 ASP H 1.0 . 4.0 22 18 A 51 TYR H A 50 ALA HA 1.0 . 4.6 23 19 A 54 GLY H A 53 LEU HA 1.0 . 4.8 24 20 A 34 ARG H A 35 ILE H 1.0 . 3.5 25 21 A 83 SER H A 84 TYR H 1.0 . 4.1 26 22 A 73 ALA H A 72 GLU HBy 1.0 . 3.8 27 22 A 73 ALA H A 72 GLU HBx 1.0 . 3.8 28 23 A 98 ASP H A 97 ILE HA 1.0 . 3.2 29 24 A 19 TRP H A 18 GLN HBy 1.0 . 4.1 30 24 A 19 TRP H A 18 GLN HBx 1.0 . 4.1 31 25 A 57 LEU H A 56 TYR HBx 1.0 . 4.7 32 25 A 57 LEU H A 56 TYR HBy 1.0 . 4.7 33 26 A 87 ILE H A 86 GLY HAy 1.0 . 5.0 34 26 A 87 ILE H A 86 GLY HAx 1.0 . 5.0 35 27 A 22 GLN H A 22 GLN HBx 1.0 . 3.7 36 27 A 22 GLN H A 22 GLN HBy 1.0 . 3.7 37 28 A 96 TYR H A 95 LYS HDx 1.0 . 4.8 38 28 A 96 TYR H A 95 LYS HDy 1.0 . 4.8 39 29 A 80 ALA H A 77 ILE HA 1.0 . 4.9 40 30 A 72 GLU H A 72 GLU HA 1.0 . 3.8 41 31 A 35 ILE H A 34 ARG HDx 1.0 . 4.9 42 31 A 34 ARG HDy A 35 ILE H 1.0 . 4.9 43 32 A 57 LEU H A 56 TYR H 1.0 . 4.3 44 33 A 88 ASP H A 87 ILE HA 1.0 . 3.5 45 34 A 90 CYS H A 89 ASP H 1.0 . 5.0 46 35 A 93 CYS H A 92 GLN HBx 1.0 . 4.1 47 35 A 93 CYS H A 92 GLN HBy 1.0 . 4.1 48 36 A 48 SER H A 47 ALA H 1.0 . 4.2 49 37 A 23 THR H A 22 GLN HBx 1.0 . 5.0 50 37 A 23 THR H A 22 GLN HBy 1.0 . 5.0 51 38 A 83 SER H A 83 SER HA 1.0 . 4.0 52 39 A 75 ASP H A 74 ARG H 1.0 . 4.3 53 40 A 52 LYS H A 53 LEU H 1.0 . 4.8 54 41 A 94 SER H A 93 CYS HBy 1.0 . 4.4 55 41 A 94 SER H A 93 CYS HBx 1.0 . 4.4 56 42 A 54 GLY H A 54 GLY HAx 1.0 . 3.8 57 42 A 54 GLY H A 54 GLY HAy 1.0 . 3.8 58 43 A 92 GLN H A 94 SER H 1.0 . 5.0 59 44 A 50 ALA H A 47 ALA HB% 1.0 . 4.9 60 45 A 92 GLN H A 92 GLN HA 1.0 . 3.8 61 46 A 28 GLY H A 29 VAL H 1.0 . 4.7 62 47 A 43 SER H A 30 LEU HA 1.0 . 4.7 63 48 A 37 ASN HD22 A 37 ASN HA 1.0 . 5.0 64 49 A 75 ASP H A 71 THR HA 1.0 . 5.0 65 50 A 51 TYR H A 50 ALA H 1.0 . 4.0 66 51 A 88 ASP H A 41 LEU HBx 1.0 . 5.0 67 51 A 88 ASP H A 41 LEU HBy 1.0 . 5.0 68 52 A 22 GLN HA A 22 GLN H 1.0 . 4.0 69 53 A 73 ALA H A 75 ASP H 1.0 . 5.0 70 54 A 77 ILE H A 78 LYS H 1.0 . 4.7 71 55 A 81 TYR H A 30 LEU HDx% 1.0 . 4.4 72 56 A 36 HIS H A 36 HIS HA 1.0 . 4.4 73 57 A 70 LEU H A 71 THR H 1.0 . 5.0 74 58 A 92 GLN H A 92 GLN HBx 1.0 . 4.0 75 58 A 92 GLN H A 92 GLN HBy 1.0 . 4.0 76 59 A 33 CYS H A 39 VAL HB 1.0 . 4.8 77 60 A 23 THR H A 24 LEU H 1.0 . 3.7 78 61 A 78 LYS H A 78 LYS HA 1.0 . 4.2 79 62 A 83 SER H A 83 SER HBy 1.0 . 4.3 80 62 A 83 SER H A 83 SER HBx 1.0 . 4.3 81 63 A 27 SER H A 26 GLY H 1.0 . 4.6 82 64 A 34 ARG H A 33 CYS HBx 1.0 . 4.9 83 64 A 34 ARG H A 33 CYS HB3 1.0 . 4.9 84 65 A 22 GLN HE22 A 22 GLN HBx 1.0 . 4.8 85 65 A 22 GLN HBy A 22 GLN HE22 1.0 . 4.8 86 66 A 32 ARG H A 32 ARG HA 1.0 . 4.3 87 67 A 53 LEU H A 53 LEU HDy% 1.0 . 4.0 88 68 A 33 CYS H A 33 CYS HBx 1.0 . 4.2 89 68 A 33 CYS H A 33 CYS HB3 1.0 . 4.2 90 69 A 95 LYS H A 95 LYS HBy 1.0 . 3.6 91 69 A 95 LYS H A 95 LYS HBx 1.0 . 3.6 92 70 A 44 GLY H A 45 ASN H 1.0 . 4.2 93 71 A 77 ILE H A 77 ILE HG2% 1.0 . 4.8 94 72 A 88 ASP H A 89 ASP H 1.0 . 3.7 95 73 A 56 TYR H A 55 THR H 1.0 . 4.4 96 74 A 73 ALA H A 75 ASP H 1.0 . 5.0 97 75 A 28 GLY H A 28 GLY HAx 1.0 . 3.6 98 75 A 28 GLY H A 28 GLY HAy 1.0 . 3.6 99 76 A 40 ILE H A 40 ILE HB 1.0 . 4.0 100 77 A 54 GLY H A 53 LEU HBy 1.0 . 4.8 101 77 A 54 GLY H A 53 LEU HBx 1.0 . 4.8 102 78 A 96 TYR H A 95 LYS H 1.0 . 4.3 103 79 A 47 ALA H A 47 ALA HB% 1.0 . 3.7 104 80 A 96 TYR HD% A 97 ILE H 1.0 . 4.8 105 81 A 48 SER H A 47 ALA HB% 1.0 . 4.4 106 82 A 31 ALA H A 30 LEU HA 1.0 . 3.6 107 83 A 25 MET H A 25 MET HGy 1.0 . 3.8 108 83 A 25 MET H A 25 MET HGx 1.0 . 3.8 109 84 A 57 LEU H A 57 LEU HDy% 1.0 . 4.3 110 85 A 53 LEU H A 54 GLY H 1.0 . 4.6 111 86 A 37 ASN HD21 A 37 ASN HBx 1.0 . 4.1 112 86 A 37 ASN HD21 A 37 ASN HBy 1.0 . 4.1 113 87 A 87 ILE H A 86 GLY HAy 1.0 . 4.4 114 87 A 87 ILE H A 86 GLY HAx 1.0 . 4.4 115 88 A 19 TRP H A 19 TRP HBx 1.0 . 4.2 116 88 A 19 TRP H A 19 TRP HBy 1.0 . 4.2 117 89 A 96 TYR H A 95 LYS HBy 1.0 . 4.2 118 89 A 96 TYR H A 95 LYS HBx 1.0 . 4.2 119 90 A 79 ASP H A 79 ASP HBx 1.0 . 3.5 120 90 A 79 ASP H A 79 ASP HBy 1.0 . 3.5 121 91 A 28 GLY H A 27 SER H 1.0 . 4.3 122 92 A 88 ASP H A 88 ASP HBx 1.0 . 4.0 123 92 A 88 ASP H A 88 ASP HBy 1.0 . 4.0 124 93 A 93 CYS H A 93 CYS HBy 1.0 . 3.8 125 93 A 93 CYS H A 93 CYS HBx 1.0 . 3.8 126 94 A 35 ILE H A 35 ILE HB 1.0 . 3.5 127 95 A 74 ARG H A 74 ARG HA 1.0 . 4.3 128 96 A 37 ASN HD21 A 37 ASN H 1.0 . 5.0 129 97 A 69 THR H A 69 THR HG2% 1.0 . 4.3 130 98 A 39 VAL HB A 39 VAL H 1.0 . 3.6 131 99 A 72 GLU H A 72 GLU HBy 1.0 . 3.8 132 99 A 72 GLU H A 72 GLU HBx 1.0 . 3.8 133 100 A 51 TYR H A 50 ALA HB% 1.0 . 4.1 134 101 A 73 ALA H A 76 ALA HB% 1.0 . 4.9 135 102 A 40 ILE H A 40 ILE HG2% 1.0 . 4.7 136 103 A 73 ALA H A 72 GLU HA 1.0 . 4.7 137 104 A 55 THR H A 55 THR HA 1.0 . 4.0 138 105 A 33 CYS H A 33 CYS HA 1.0 . 4.2 139 106 A 20 ALA H A 19 TRP HA 1.0 . 5.0 140 107 A 47 ALA H A 47 ALA HA 1.0 . 4.3 141 108 A 53 LEU H A 53 LEU HBy 1.0 . 3.7 142 108 A 53 LEU H A 53 LEU HBx 1.0 . 3.7 143 109 A 80 ALA H A 79 ASP H 1.0 . 4.0 144 110 A 28 GLY H A 28 GLY HAx 1.0 . 3.7 145 110 A 28 GLY H A 28 GLY HAy 1.0 . 3.7 146 111 A 77 ILE H A 76 ALA HA 1.0 . 5.0 147 112 A 97 ILE H A 96 TYR HBx 1.0 . 4.4 148 112 A 97 ILE H A 96 TYR HBy 1.0 . 4.4 149 113 A 68 ASN H A 67 PHE HA 1.0 . 4.2 150 114 A 73 ALA H A 74 ARG H 1.0 . 4.3 151 115 A 42 ASP H A 42 ASP HBy 1.0 . 4.3 152 115 A 42 ASP HBx A 42 ASP H 1.0 . 4.3 153 116 A 51 TYR H A 47 ALA HA 1.0 . 5.0 154 117 A 23 THR H A 22 GLN H 1.0 . 4.3 155 118 A 51 TYR HD% A 51 TYR H 1.0 . 4.4 156 119 A 22 GLN H A 21 MET HA 1.0 . 4.9 157 120 A 81 TYR H A 81 TYR HD% 1.0 . 4.8 158 121 A 77 ILE HA A 77 ILE H 1.0 . 4.7 159 122 A 26 GLY H A 25 MET HA 1.0 . 4.8 160 123 A 48 SER H A 29 VAL HGx% 1.0 . 5.0 161 124 A 74 ARG H A 76 ALA H 1.0 . 5.0 162 125 A 55 THR H A 55 THR HB 1.0 . 4.2 163 126 A 31 ALA H A 31 ALA HA 1.0 . 4.3 164 127 A 92 GLN H A 93 CYS H 1.0 . 3.7 165 128 A 78 LYS H A 75 ASP HA 1.0 . 4.4 166 129 A 32 ARG H A 31 ALA HA 1.0 . 3.5 167 130 A 50 ALA HA A 54 GLY H 1.0 . 5.0 168 131 A 98 ASP H A 97 ILE HB 1.0 . 4.4 169 132 A 78 LYS H A 51 TYR HE% 1.0 . 4.8 170 133 A 89 ASP H A 89 ASP HA 1.0 . 4.0 171 134 A 26 GLY H A 26 GLY HAx 1.0 . 3.6 172 134 A 26 GLY H A 26 GLY HAy 1.0 . 3.6 173 135 A 73 ALA H A 70 LEU HDx% 1.0 . 5.0 174 136 A 42 ASP H A 41 LEU HA 1.0 . 4.0 175 137 A 20 ALA H A 19 TRP HE3 1.0 . 4.6 176 138 A 28 GLY H A 30 LEU H 1.0 . 5.0 177 139 A 80 ALA H A 81 TYR H 1.0 . 4.1 178 140 A 23 THR H A 22 GLN HBx 1.0 . 4.3 179 140 A 23 THR H A 22 GLN HBy 1.0 . 4.3 180 141 A 72 GLU H A 72 GLU HBy 1.0 . 3.7 181 141 A 72 GLU H A 72 GLU HBx 1.0 . 3.7 182 142 A 70 LEU H A 70 LEU HA 1.0 . 4.4 183 143 A 22 GLN H A 21 MET H 1.0 . 3.8 184 144 A 89 ASP H A 89 ASP HBx 1.0 . 3.7 185 144 A 89 ASP H A 89 ASP HBy 1.0 . 3.7 186 145 A 54 GLY H A 53 LEU HBy 1.0 . 4.9 187 145 A 54 GLY H A 53 LEU HBx 1.0 . 4.9 188 146 A 48 SER H A 47 ALA H 1.0 . 4.7 189 147 A 85 CYS H A 85 CYS HBx 1.0 . 4.8 190 147 A 85 CYS H A 85 CYS HBy 1.0 . 4.8 191 148 A 38 ASP H A 36 HIS HBy 1.0 . 4.6 192 148 A 38 ASP H A 36 HIS HBx 1.0 . 4.6 193 149 A 41 LEU H A 40 ILE HD1% 1.0 . 5.0 194 150 A 57 LEU H A 57 LEU HA 1.0 . 4.6 195 151 A 24 LEU H A 25 MET H 1.0 . 4.4 196 152 A 75 ASP H A 71 THR HG2% 1.0 . 5.0 197 153 A 74 ARG H A 73 ALA HB% 1.0 . 4.1 198 154 A 30 LEU H A 29 VAL HA 1.0 . 4.8 199 155 A 77 ILE H A 76 ALA H 1.0 . 3.6 200 156 A 85 CYS H A 85 CYS HA 1.0 . 4.3 201 157 A 25 MET H A 24 LEU HBx 1.0 . 5.0 202 157 A 25 MET H A 24 LEU HB3 1.0 . 5.0 203 158 A 72 GLU HA A 75 ASP H 1.0 . 4.3 204 159 A 31 ALA H A 41 LEU HBx 1.0 . 4.0 205 159 A 31 ALA H A 41 LEU HBy 1.0 . 4.0 206 160 A 90 CYS H A 89 ASP HA 1.0 . 3.6 207 161 A 53 LEU H A 52 LYS HA 1.0 . 4.2 208 162 A 52 LYS H A 51 TYR HBx 1.0 . 4.6 209 162 A 52 LYS H A 51 TYR HBy 1.0 . 4.6 210 163 A 19 TRP H A 19 TRP HA 1.0 . 4.3 211 164 A 78 LYS H A 78 LYS HA 1.0 . 4.2 212 165 A 73 ALA H A 74 ARG H 1.0 . 4.2 213 166 A 57 LEU H A 57 LEU HBy 1.0 . 4.3 214 166 A 57 LEU HBx A 57 LEU H 1.0 . 4.3 215 167 A 17 GLU H A 17 GLU HA 1.0 . 4.3 216 168 A 56 TYR H A 55 THR H 1.0 . 4.4 217 169 A 94 SER H A 95 LYS H 1.0 . 5.0 218 170 A 40 ILE H A 39 VAL HA 1.0 . 3.6 219 171 A 97 ILE H A 97 ILE HB 1.0 . 3.7 220 172 A 94 SER H A 95 LYS H 1.0 . 4.6 221 173 A 98 ASP H A 98 ASP HBx 1.0 . 3.6 222 173 A 98 ASP H A 98 ASP HBy 1.0 . 3.6 223 174 A 41 LEU HDx% A 90 CYS H 1.0 . 4.6 224 175 A 77 ILE H A 77 ILE HB 1.0 . 4.0 225 176 A 51 TYR H A 51 TYR HBx 1.0 . 4.1 226 176 A 51 TYR H A 51 TYR HBy 1.0 . 4.1 227 177 A 81 TYR H A 81 TYR HBy 1.0 . 4.0 228 177 A 81 TYR H A 81 TYR HBx 1.0 . 4.0 229 178 A 39 VAL H A 38 ASP H 1.0 . 4.0 230 179 A 96 TYR H A 97 ILE H 1.0 . 4.4 231 180 A 37 ASN HA A 37 ASN HD21 1.0 . 4.3 232 181 A 51 TYR H A 51 TYR HA 1.0 . 4.0 233 182 A 58 TYR H A 57 LEU HA 1.0 . 4.8 234 183 A 35 ILE H A 34 ARG HBx 1.0 . 4.6 235 183 A 35 ILE H A 34 ARG HBy 1.0 . 4.6 236 184 A 97 ILE H A 96 TYR HA 1.0 . 3.4 237 185 A 22 GLN H A 21 MET H 1.0 . 4.2 238 186 A 71 THR HA A 71 THR H 1.0 . 4.3 239 187 A 69 THR H A 68 ASN H 1.0 . 4.6 240 188 A 95 LYS H A 95 LYS HA 1.0 . 3.6 241 189 A 34 ARG H A 35 ILE H 1.0 . 4.3 242 190 A 20 ALA H A 20 ALA HB% 1.0 . 3.8 243 191 A 47 ALA H A 46 ASP HA 1.0 . 3.5 244 192 A 44 GLY H A 44 GLY HAx 1.0 . 3.6 245 192 A 44 GLY H A 44 GLY HAy 1.0 . 3.6 246 193 A 52 LYS H A 52 LYS HBx 1.0 . 3.5 247 193 A 52 LYS H A 52 LYS HB3 1.0 . 3.5 248 194 A 24 LEU H A 24 LEU HBx 1.0 . 4.4 249 194 A 24 LEU H A 24 LEU HB3 1.0 . 4.4 250 195 A 74 ARG H A 73 ALA HA 1.0 . 4.9 251 196 A 57 LEU H A 56 TYR H 1.0 . 4.7 252 197 A 87 ILE H A 87 ILE HA 1.0 . 4.4 253 198 A 52 LYS H A 51 TYR HBx 1.0 . 4.3 254 198 A 52 LYS H A 51 TYR HBy 1.0 . 4.3 255 199 A 45 ASN H A 44 GLY HAx 1.0 . 4.3 256 199 A 45 ASN H A 44 GLY HAy 1.0 . 4.3 257 200 A 23 THR H A 22 GLN HBx 1.0 . 4.2 258 200 A 23 THR H A 22 GLN HBy 1.0 . 4.2 259 201 A 75 ASP H A 74 ARG H 1.0 . 4.4 260 202 A 76 ALA HB% A 76 ALA H 1.0 . 3.2 261 203 A 72 GLU H A 73 ALA HB% 1.0 . 5.0 262 204 A 22 GLN HE22 A 22 GLN HBx 1.0 . 4.1 263 204 A 22 GLN HBy A 22 GLN HE22 1.0 . 4.1 264 205 A 88 ASP H A 87 ILE HB 1.0 . 4.7 265 206 A 33 CYS H A 32 ARG HA 1.0 . 3.8 266 207 A 76 ALA H A 73 ALA HB% 1.0 . 5.0 267 208 A 58 TYR H A 57 LEU HDy% 1.0 . 4.8 268 209 A 35 ILE H A 35 ILE HA 1.0 . 3.8 269 210 A 17 GLU HA A 18 GLN H 1.0 . 5.0 270 211 A 29 VAL H A 30 LEU H 1.0 . 4.1 271 212 A 17 GLU H A 18 GLN H 1.0 . 4.1 272 213 A 48 SER H A 50 ALA H 1.0 . 5.0 273 214 A 92 GLN H A 93 CYS H 1.0 . 4.0 274 215 A 84 TYR H A 84 TYR HBx 1.0 . 4.9 275 215 A 84 TYR H A 84 TYR HBy 1.0 . 4.9 276 216 A 58 TYR H A 58 TYR HBx 1.0 . 3.8 277 216 A 58 TYR H A 58 TYR HBy 1.0 . 3.8 278 217 A 42 ASP H A 41 LEU HBx 1.0 . 4.9 279 217 A 41 LEU HBy A 42 ASP H 1.0 . 4.9 280 218 A 69 THR H A 69 THR HA 1.0 . 4.0 281 219 A 24 LEU H A 24 LEU HA 1.0 . 4.2 282 220 A 28 GLY H A 25 MET HA 1.0 . 4.7 283 221 A 46 ASP H A 45 ASN HBx 1.0 . 4.2 284 221 A 46 ASP H A 45 ASN HBy 1.0 . 4.2 285 222 A 31 ALA H A 41 LEU H 1.0 . 3.7 286 223 A 44 GLY H A 44 GLY HAx 1.0 . 3.7 287 223 A 44 GLY H A 44 GLY HAy 1.0 . 3.7 288 224 A 50 ALA HA A 50 ALA H 1.0 . 4.2 289 225 A 36 HIS H A 36 HIS HBy 1.0 . 4.7 290 225 A 36 HIS H A 36 HIS HBx 1.0 . 4.7 291 226 A 39 VAL H A 38 ASP H 1.0 . 3.7 292 227 A 83 SER H A 82 GLU H 1.0 . 4.4 293 228 A 47 ALA H A 51 TYR HE% 1.0 . 5.0 294 229 A 59 GLN H A 59 GLN HA 1.0 . 3.4 295 230 A 96 TYR H A 96 TYR HA 1.0 . 4.0 296 231 A 45 ASN H A 29 VAL HGx% 1.0 . 4.8 297 232 A 80 ALA H A 80 ALA HA 1.0 . 3.5 298 233 A 34 ARG H A 34 ARG HBx 1.0 . 3.6 299 233 A 34 ARG H A 34 ARG HBy 1.0 . 3.6 300 234 A 94 SER H A 94 SER HBx 1.0 . 3.8 301 234 A 94 SER H A 94 SER HBy 1.0 . 3.8 302 235 A 81 TYR H A 80 ALA HB% 1.0 . 4.2 303 236 A 30 LEU H A 30 LEU HBx 1.0 . 4.2 304 236 A 30 LEU H A 30 LEU HBy 1.0 . 4.2 305 237 A 51 TYR H A 29 VAL HGy% 1.0 . 4.9 306 238 A 71 THR H A 71 THR HG2% 1.0 . 4.2 307 239 A 85 CYS H A 85 CYS HBx 1.0 . 5.0 308 239 A 85 CYS H A 85 CYS HBy 1.0 . 5.0 309 240 A 71 THR H A 70 LEU HBy 1.0 . 4.6 310 240 A 71 THR H A 70 LEU HBx 1.0 . 4.6 311 241 A 57 LEU H A 57 LEU HDx% 1.0 . 4.7 312 242 A 47 ALA H A 29 VAL HGx% 1.0 . 5.0 313 243 A 95 LYS H A 94 SER HBx 1.0 . 4.6 314 243 A 95 LYS H A 94 SER HBy 1.0 . 4.6 315 244 A 34 ARG H A 33 CYS H 1.0 . 5.0 316 245 A 94 SER H A 94 SER HA 1.0 . 3.8 317 246 A 80 ALA H A 81 TYR H 1.0 . 4.4 318 247 A 74 ARG H A 70 LEU HDx% 1.0 . 4.9 319 248 A 29 VAL H A 28 GLY HAx 1.0 . 5.0 320 248 A 29 VAL H A 28 GLY HAy 1.0 . 5.0 321 249 A 75 ASP H A 76 ALA H 1.0 . 4.1 322 250 A 70 LEU H A 71 THR H 1.0 . 4.6 323 251 A 58 TYR H A 58 TYR HD% 1.0 . 4.4 324 252 A 90 CYS H A 89 ASP H 1.0 . 5.0 325 253 A 70 LEU H A 69 THR HB 1.0 . 4.2 326 254 A 48 SER H A 48 SER HBx 1.0 . 3.6 327 254 A 48 SER H A 48 SER HB3 1.0 . 3.6 328 255 A 78 LYS H A 77 ILE HG2% 1.0 . 5.0 329 256 A 23 THR H A 24 LEU HBx 1.0 . 5.0 330 256 A 23 THR H A 24 LEU HB3 1.0 . 5.0 331 257 A 80 ALA H A 79 ASP H 1.0 . 4.2 332 258 A 55 THR H A 70 LEU HDx% 1.0 . 4.8 333 259 A 82 GLU H A 79 ASP HA 1.0 . 4.7 334 260 A 19 TRP H A 20 ALA H 1.0 . 4.0 335 261 A 88 ASP H A 88 ASP HA 1.0 . 4.2 336 262 A 53 LEU H A 53 LEU HBy 1.0 . 3.5 337 262 A 53 LEU H A 53 LEU HBx 1.0 . 3.5 338 263 A 33 CYS H A 39 VAL HGx% 1.0 . 4.3 339 264 A 18 GLN H A 18 GLN HA 1.0 . 4.3 340 265 A 97 ILE H A 97 ILE HG1y 1.0 . 4.2 341 265 A 97 ILE H A 97 ILE HG1x 1.0 . 4.2 342 266 A 44 GLY H A 45 ASN H 1.0 . 3.6 343 267 A 43 SER H A 30 LEU HDy% 1.0 . 4.6 344 268 A 76 ALA H A 75 ASP HBx 1.0 . 4.1 345 268 A 76 ALA H A 75 ASP HBy 1.0 . 4.1 346 269 A 20 ALA H A 21 MET H 1.0 . 4.1 347 270 A 31 ALA H A 30 LEU H 1.0 . 5.0 348 271 A 89 ASP H A 88 ASP HBx 1.0 . 4.4 349 271 A 89 ASP H A 88 ASP HBy 1.0 . 4.4 350 272 A 30 LEU HA A 30 LEU H 1.0 . 4.7 351 273 A 30 LEU HDx% A 30 LEU H 1.0 . 4.6 352 274 A 80 ALA H A 80 ALA HB% 1.0 . 3.5 353 275 A 20 ALA H A 17 GLU HBy 1.0 . 4.9 354 275 A 20 ALA H A 17 GLU HBx 1.0 . 4.9 355 276 A 72 GLU H A 71 THR HG2% 1.0 . 4.6 356 277 A 25 MET H A 24 LEU HA 1.0 . 4.6 357 278 A 68 ASN HD21 A 68 ASN HD22 1.0 . 3.1 358 279 A 52 LYS H A 52 LYS HA 1.0 . 3.7 359 280 A 35 ILE H A 35 ILE HD1% 1.0 . 4.7 360 281 A 26 GLY H A 25 MET H 1.0 . 4.7 361 282 A 29 VAL HGx% A 30 LEU H 1.0 . 4.1 362 283 A 83 SER H A 82 GLU H 1.0 . 4.4 363 284 A 75 ASP H A 76 ALA H 1.0 . 4.1 364 285 A 81 TYR H A 81 TYR HA 1.0 . 4.6 365 286 A 26 GLY H A 26 GLY HAx 1.0 . 3.7 366 286 A 26 GLY H A 26 GLY HAy 1.0 . 3.7 367 287 A 43 SER H A 29 VAL HGx% 1.0 . 5.0 368 288 A 19 TRP H A 19 TRP HBx 1.0 . 4.2 369 288 A 19 TRP H A 19 TRP HBy 1.0 . 4.2 370 289 A 98 ASP H A 97 ILE HG1y 1.0 . 4.8 371 289 A 98 ASP H A 97 ILE HG1x 1.0 . 4.8 372 290 A 25 MET H A 25 MET HA 1.0 . 4.4 373 291 A 19 TRP HE1 A 19 TRP HZ2 1.0 . 3.8 374 292 A 23 THR H A 23 THR HG2% 1.0 . 4.0 375 293 A 74 ARG H A 76 ALA H 1.0 . 5.0 376 294 A 19 TRP HE1 A 19 TRP HD1 1.0 . 3.6 377 295 A 57 LEU H A 56 TYR HD% 1.0 . 4.9 378 296 A 98 ASP H A 98 ASP HBx 1.0 . 4.2 379 296 A 98 ASP H A 98 ASP HBy 1.0 . 4.2 380 297 A 43 SER H A 42 ASP HA 1.0 . 3.7 381 298 A 78 LYS H A 77 ILE HD1% 1.0 . 4.9 382 299 A 53 LEU H A 54 GLY H 1.0 . 4.3 383 300 A 70 LEU H A 70 LEU HDx% 1.0 . 4.6 384 301 A 54 GLY H A 53 LEU HDx% 1.0 . 4.3 385 302 A 85 CYS H A 81 TYR HA 1.0 . 4.1 386 303 A 41 LEU H A 41 LEU HBx 1.0 . 4.1 387 303 A 41 LEU HBy A 41 LEU H 1.0 . 4.1 388 304 A 51 TYR H A 47 ALA HB% 1.0 . 4.9 389 305 A 58 TYR H A 57 LEU HBy 1.0 . 4.9 390 305 A 58 TYR H A 57 LEU HBx 1.0 . 4.9 391 306 A 39 VAL H A 36 HIS HBy 1.0 . 4.3 392 306 A 39 VAL H A 36 HIS HBx 1.0 . 4.3 393 307 A 41 LEU H A 40 ILE HG1x 1.0 . 4.6 394 307 A 41 LEU H A 40 ILE HG1y 1.0 . 4.6 395 308 A 87 ILE H A 87 ILE HB 1.0 . 4.1 396 309 A 72 GLU H A 71 THR H 1.0 . 4.0 397 310 A 70 LEU H A 70 LEU HBy 1.0 . 4.2 398 310 A 70 LEU H A 70 LEU HBx 1.0 . 4.2 399 311 A 22 GLN HA A 25 MET H 1.0 . 4.8 400 312 A 46 ASP H A 46 ASP HA 1.0 . 4.0 401 313 A 50 ALA H A 50 ALA HB% 1.0 . 3.7 402 314 A 27 SER HA A 27 SER H 1.0 . 4.6 403 315 A 57 LEU H A 56 TYR HBx 1.0 . 4.8 404 315 A 57 LEU H A 56 TYR HBy 1.0 . 4.8 405 316 A 31 ALA H A 40 ILE HG1x 1.0 . 4.6 406 316 A 31 ALA H A 40 ILE HG1y 1.0 . 4.6 407 317 A 86 GLY H A 86 GLY HAy 1.0 . 4.4 408 317 A 86 GLY HAx A 86 GLY H 1.0 . 4.4 409 318 A 27 SER H A 26 GLY H 1.0 . 4.7 410 319 A 27 SER H A 27 SER HBy 1.0 . 3.6 411 319 A 27 SER H A 27 SER HBx 1.0 . 3.6 412 320 A 25 MET H A 25 MET HBx 1.0 . 4.4 413 320 A 25 MET H A 25 MET HBy 1.0 . 4.4 414 321 A 93 CYS H A 92 GLN HA 1.0 . 4.0 415 322 A 21 MET HA A 21 MET H 1.0 . 4.4 416 323 A 44 GLY H A 43 SER H 1.0 . 4.6 417 324 A 71 THR H A 70 LEU HBy 1.0 . 4.7 418 324 A 71 THR H A 70 LEU HBx 1.0 . 4.7 419 325 A 87 ILE H A 86 GLY H 1.0 . 4.9 420 326 A 54 GLY H A 55 THR H 1.0 . 4.7 421 327 A 38 ASP H A 38 ASP HBx 1.0 . 3.5 422 327 A 38 ASP H A 38 ASP HBy 1.0 . 3.5 423 328 A 95 LYS H A 95 LYS HDx 1.0 . 4.3 424 328 A 95 LYS HDy A 95 LYS H 1.0 . 4.3 425 329 A 38 ASP H A 38 ASP HA 1.0 . 3.6 426 330 A 37 ASN HD22 A 37 ASN HD21 1.0 . 3.1 427 331 A 71 THR H A 70 LEU HDx% 1.0 . 4.8 428 332 A 86 GLY H A 85 CYS HBx 1.0 . 4.3 429 332 A 85 CYS HBy A 86 GLY H 1.0 . 4.3 430 333 A 40 ILE H A 40 ILE HD1% 1.0 . 4.8 431 334 A 32 ARG H A 31 ALA HB% 1.0 . 3.2 432 335 A 55 THR H A 54 GLY HAx 1.0 . 4.7 433 335 A 54 GLY HAy A 55 THR H 1.0 . 4.7 434 336 A 27 SER H A 53 LEU HDx% 1.0 . 4.3 435 337 A 50 ALA H A 29 VAL HGx% 1.0 . 4.1 436 338 A 98 ASP H A 98 ASP HA 1.0 . 4.1 437 339 A 57 LEU H A 57 LEU HBy 1.0 . 4.8 438 339 A 57 LEU HBx A 57 LEU H 1.0 . 4.8 439 340 A 73 ALA H A 72 GLU H 1.0 . 4.2 440 341 A 17 GLU H A 18 GLN H 1.0 . 3.8 441 342 A 21 MET H A 21 MET HGx 1.0 . 4.0 442 342 A 21 MET H A 21 MET HG3 1.0 . 4.0 443 343 A 96 TYR H A 96 TYR HBx 1.0 . 3.8 444 343 A 96 TYR H A 96 TYR HBy 1.0 . 3.8 445 344 A 40 ILE H A 39 VAL H 1.0 . 4.6 446 345 A 31 ALA H A 31 ALA HB% 1.0 . 3.5 447 346 A 90 CYS H A 89 ASP HBx 1.0 . 4.2 448 346 A 90 CYS H A 89 ASP HBy 1.0 . 4.2 449 347 A 81 TYR H A 78 LYS HA 1.0 . 4.7 450 348 A 19 TRP HE1 A 22 GLN HE21 1.0 . 5.0 451 349 A 77 ILE H A 78 LYS H 1.0 . 4.7 452 350 A 34 ARG H A 34 ARG HA 1.0 . 3.8 453 351 A 93 CYS H A 93 CYS HA 1.0 . 3.8 454 352 A 94 SER H A 93 CYS HBy 1.0 . 4.2 455 352 A 94 SER H A 93 CYS HBx 1.0 . 4.2 456 353 A 54 GLY H A 55 THR H 1.0 . 4.8 457 354 A 71 THR H A 70 LEU HA 1.0 . 4.9 458 355 A 76 ALA HA A 76 ALA H 1.0 . 3.5 459 356 A 88 ASP H A 89 ASP H 1.0 . 3.7 460 357 A 35 ILE H A 35 ILE HG2% 1.0 . 4.3 461 358 A 75 ASP H A 75 ASP HA 1.0 . 4.0 462 359 A 27 SER H A 25 MET HA 1.0 . 4.2 463 360 A 21 MET H A 20 ALA HB% 1.0 . 4.0 464 361 A 74 ARG H A 74 ARG HBy 1.0 . 3.6 465 361 A 74 ARG H A 74 ARG HBx 1.0 . 3.6 466 362 A 28 GLY H A 29 VAL HB 1.0 . 5.0 467 363 A 97 ILE HA A 97 ILE H 1.0 . 4.0 468 364 A 40 ILE HG2% A 41 LEU H 1.0 . 4.9 469 365 A 68 ASN H A 67 PHE HD% 1.0 . 4.8 470 366 A 47 ALA H A 46 ASP HBx 1.0 . 4.4 471 366 A 46 ASP HBy A 47 ALA H 1.0 . 4.4 472 367 A 26 GLY H A 25 MET H 1.0 . 4.3 473 368 A 22 GLN H A 22 GLN HBx 1.0 . 3.7 474 368 A 22 GLN H A 22 GLN HBy 1.0 . 3.7 475 369 A 48 SER H A 46 ASP HA 1.0 . 4.9 476 370 A 73 ALA H A 76 ALA H 1.0 . 5.0 477 371 A 39 VAL H A 38 ASP HA 1.0 . 4.2 478 372 A 82 GLU H A 80 ALA HB% 1.0 . 5.0 479 373 A 26 GLY H A 25 MET HGy 1.0 . 4.1 480 373 A 26 GLY H A 25 MET HGx 1.0 . 4.1 481 374 A 37 ASN HD22 A 37 ASN HBx 1.0 . 4.7 482 374 A 37 ASN HD22 A 37 ASN HBy 1.0 . 4.7 483 375 A 51 TYR H A 50 ALA H 1.0 . 4.0 484 376 A 40 ILE HA A 41 LEU H 1.0 . 4.3 485 377 A 97 ILE H A 97 ILE HG1y 1.0 . 4.3 486 377 A 97 ILE H A 97 ILE HG1x 1.0 . 4.3 487 378 A 69 THR H A 68 ASN HBy 1.0 . 4.7 488 378 A 69 THR H A 68 ASN HBx 1.0 . 4.7 489 379 A 93 CYS H A 92 GLN HBx 1.0 . 4.3 490 379 A 93 CYS H A 92 GLN HBy 1.0 . 4.3 491 380 A 37 ASN H A 38 ASP H 1.0 . 3.8 492 381 A 27 SER H A 50 ALA HB% 1.0 . 5.0 493 382 A 32 ARG HA A 41 LEU H 1.0 . 5.0 494 383 A 58 TYR H A 58 TYR HA 1.0 . 4.6 495 384 A 86 GLY H A 42 ASP HBy 1.0 . 5.0 496 384 A 42 ASP HBx A 86 GLY H 1.0 . 5.0 497 385 A 41 LEU HDx% A 41 LEU H 1.0 . 5.0 498 386 A 34 ARG H A 34 ARG HGy 1.0 . 4.0 499 386 A 34 ARG H A 34 ARG HGx 1.0 . 4.0 500 387 A 79 ASP H A 79 ASP HA 1.0 . 3.6 501 388 A 28 GLY H A 29 VAL H 1.0 . 4.4 502 389 A 43 SER H A 42 ASP H 1.0 . 4.7 503 390 A 81 TYR H A 82 GLU H 1.0 . 4.9 504 391 A 74 ARG H A 71 THR HA 1.0 . 5.0 505 392 A 40 ILE H A 39 VAL H 1.0 . 5.0 506 393 A 28 GLY H A 27 SER H 1.0 . 4.3 507 394 A 96 TYR H A 96 TYR HBx 1.0 . 3.7 508 394 A 96 TYR H A 96 TYR HBy 1.0 . 3.7 509 395 A 86 GLY H A 86 GLY HAy 1.0 . 3.8 510 395 A 86 GLY HAx A 86 GLY H 1.0 . 3.8 511 396 A 34 ARG H A 33 CYS H 1.0 . 5.0 512 397 A 92 GLN H A 92 GLN HBx 1.0 . 3.7 513 397 A 92 GLN H A 92 GLN HBy 1.0 . 3.7 514 398 A 81 TYR HD% A 82 GLU H 1.0 . 4.9 515 399 A 43 SER H A 43 SER HBx 1.0 . 4.4 516 399 A 43 SER H A 43 SER HBy 1.0 . 4.4 517 400 A 77 ILE H A 78 LYS H 1.0 . 4.4 518 401 A 82 GLU H A 81 TYR HBy 1.0 . 4.3 519 401 A 81 TYR HBx A 82 GLU H 1.0 . 4.3 520 402 A 54 GLY H A 58 TYR HD% 1.0 . 5.0 521 403 A 52 LYS H A 51 TYR H 1.0 . 4.3 522 404 A 85 CYS H A 87 ILE HD1% 1.0 . 5.0 523 405 A 80 ALA H A 80 ALA HA 1.0 . 3.5 524 406 A 72 GLU H A 71 THR HA 1.0 . 5.0 525 407 A 83 SER H A 84 TYR H 1.0 . 4.6 526 408 A 22 GLN HE22 A 22 GLN HBx 1.0 . 4.8 527 408 A 22 GLN HBy A 22 GLN HE22 1.0 . 4.8 528 409 A 39 VAL H A 39 VAL HA 1.0 . 4.2 529 410 A 80 ALA H A 79 ASP HBx 1.0 . 4.0 530 410 A 80 ALA H A 79 ASP HBy 1.0 . 4.0 531 411 A 56 TYR H A 56 TYR HD% 1.0 . 4.8 532 412 A 59 GLN H A 58 TYR HBx 1.0 . 4.3 533 412 A 58 TYR HBy A 59 GLN H 1.0 . 4.3 534 413 A 24 LEU H A 25 MET H 1.0 . 4.9 535 414 A 51 TYR H A 51 TYR HBx 1.0 . 4.2 536 414 A 51 TYR H A 51 TYR HBy 1.0 . 4.2 537 415 A 36 HIS H A 36 HIS HBy 1.0 . 4.8 538 415 A 36 HIS H A 36 HIS HBx 1.0 . 4.8 539 416 A 70 LEU H A 70 LEU HBy 1.0 . 4.2 540 416 A 70 LEU H A 70 LEU HBx 1.0 . 4.2 541 417 A 40 ILE HA A 40 ILE H 1.0 . 5.0 542 418 A 48 SER H A 47 ALA HA 1.0 . 4.4 543 419 A 29 VAL H A 29 VAL HB 1.0 . 4.1 544 420 A 75 ASP H A 75 ASP HBx 1.0 . 3.5 545 420 A 75 ASP H A 75 ASP HBy 1.0 . 3.5 546 421 A 72 GLU H A 71 THR H 1.0 . 4.2 547 422 A 55 THR H A 55 THR HG2% 1.0 . 4.6 548 423 A 98 ASP H A 97 ILE HG1y 1.0 . 4.2 549 423 A 98 ASP H A 97 ILE HG1x 1.0 . 4.2 550 424 A 34 ARG H A 33 CYS HA 1.0 . 3.4 551 425 A 22 GLN H A 20 ALA HB% 1.0 . 4.8 552 426 A 93 CYS H A 93 CYS HBy 1.0 . 3.6 553 426 A 93 CYS H A 93 CYS HBx 1.0 . 3.6 554 427 A 48 SER H A 48 SER HA 1.0 . 4.0 555 428 A 93 CYS H A 94 SER H 1.0 . 4.3 556 429 A 73 ALA H A 73 ALA HB% 1.0 . 3.7 557 430 A 41 LEU HDy% A 89 ASP H 1.0 . 4.7 558 431 A 40 ILE H A 39 VAL HGx% 1.0 . 4.0 559 432 A 20 ALA H A 19 TRP HBx 1.0 . 4.3 560 432 A 19 TRP HBy A 20 ALA H 1.0 . 4.3 561 433 A 97 ILE HG2% A 97 ILE H 1.0 . 4.3 562 434 A 45 ASN H A 45 ASN HA 1.0 . 4.1 563 435 A 76 ALA H A 73 ALA HA 1.0 . 4.4 564 436 A 39 VAL H A 39 VAL HGx% 1.0 . 4.3 565 437 A 53 LEU H A 53 LEU HA 1.0 . 3.5 566 438 A 97 ILE H A 96 TYR HBx 1.0 . 4.4 567 438 A 97 ILE H A 96 TYR HBy 1.0 . 4.4 568 439 A 43 SER H A 43 SER HBx 1.0 . 4.8 569 439 A 43 SER H A 43 SER HBy 1.0 . 4.8 570 440 A 20 ALA H A 19 TRP HBx 1.0 . 4.7 571 440 A 19 TRP HBy A 20 ALA H 1.0 . 4.7 572 441 A 87 ILE H A 86 GLY H 1.0 . 4.9 573 442 A 75 ASP H A 74 ARG HBy 1.0 . 3.8 574 442 A 75 ASP H A 74 ARG HBx 1.0 . 3.8 575 443 A 23 THR H A 24 LEU H 1.0 . 3.8 576 444 A 40 ILE H A 39 VAL HGy% 1.0 . 4.3 577 445 A 70 LEU H A 69 THR HG2% 1.0 . 4.4 578 446 A 29 VAL H A 30 LEU H 1.0 . 4.2 579 447 A 22 GLN H A 22 GLN HBx 1.0 . 3.8 580 447 A 22 GLN H A 22 GLN HBy 1.0 . 3.8 581 448 A 20 ALA H A 20 ALA HA 1.0 . 4.3 582 449 A 50 ALA H A 47 ALA HA 1.0 . 4.1 583 450 A 73 ALA H A 70 LEU HA 1.0 . 4.8 584 451 A 29 VAL H A 29 VAL HA 1.0 . 4.9 585 452 A 81 TYR H A 82 GLU H 1.0 . 4.8 586 453 A 24 LEU H A 23 THR HG2% 1.0 . 4.4 587 454 A 74 ARG H A 70 LEU HA 1.0 . 4.8 588 455 A 72 GLU H A 69 THR HB 1.0 . 5.0 589 456 A 52 LYS H A 51 TYR H 1.0 . 4.2 590 457 A 31 ALA H A 30 LEU HDx% 1.0 . 4.2 591 458 A 86 GLY H A 85 CYS HBx 1.0 . 5.0 592 458 A 85 CYS HBy A 86 GLY H 1.0 . 5.0 593 459 A 30 LEU HDy% A 25 MET HE% 1.0 . 4.3 594 460 A 34 ARG H A 34 ARG HDx 1.0 . 5.0 595 460 A 34 ARG H A 34 ARG HDy 1.0 . 5.0 596 461 A 73 ALA H A 70 LEU HA 1.0 . 4.8 597 462 A 34 ARG H A 33 CYS HA 1.0 . 3.7 598 463 A 23 THR H A 23 THR HA 1.0 . 4.7 599 464 A 35 ILE HG2% A 36 HIS HD2 1.0 . 5.0 600 465 A 41 LEU H A 40 ILE HD1% 1.0 . 5.0 601 466 A 87 ILE HA A 87 ILE HB 1.0 . 5.0 602 467 A 41 LEU HDx% A 31 ALA HB% 1.0 . 4.0 603 468 A 55 THR HB A 55 THR HG2% 1.0 . 4.1 604 469 A 50 ALA H A 29 VAL HGy% 1.0 . 4.2 605 470 A 30 LEU HA A 25 MET HE% 1.0 . 5.0 606 471 A 82 GLU HA A 82 GLU HBx 1.0 . 4.1 607 471 A 82 GLU HA A 82 GLU HBy 1.0 . 4.1 608 472 A 31 ALA HB% A 25 MET HE% 1.0 . 5.0 609 473 A 81 TYR HA A 81 TYR HBy 1.0 . 4.4 610 473 A 81 TYR HBx A 81 TYR HA 1.0 . 4.4 611 474 A 51 TYR HA A 77 ILE HD1% 1.0 . 5.0 612 475 A 40 ILE HB A 39 VAL HA 1.0 . 4.9 613 476 A 87 ILE HB A 87 ILE HG1x 1.0 . 3.6 614 476 A 87 ILE HB A 87 ILE HG1y 1.0 . 3.6 615 477 A 50 ALA HB% A 29 VAL HB 1.0 . 4.7 616 478 A 34 ARG HA A 34 ARG HBx 1.0 . 3.6 617 478 A 34 ARG HBy A 34 ARG HA 1.0 . 3.6 618 479 A 36 HIS H A 35 ILE HG2% 1.0 . 4.7 619 480 A 35 ILE HG2% A 36 HIS HBy 1.0 . 5.0 620 480 A 36 HIS HBx A 35 ILE HG2% 1.0 . 5.0 621 481 A 45 ASN H A 45 ASN HBx 1.0 . 5.0 622 481 A 45 ASN H A 45 ASN HBy 1.0 . 5.0 623 482 A 73 ALA H A 76 ALA HB% 1.0 . 5.0 624 483 A 50 ALA HA A 53 LEU HDx% 1.0 . 4.8 625 484 A 70 LEU HA A 73 ALA HB% 1.0 . 4.4 626 485 A 40 ILE HD1% A 81 TYR HE% 1.0 . 4.8 627 486 A 79 ASP H A 76 ALA HA 1.0 . 4.3 628 487 A 92 GLN H A 91 PRO HA 1.0 . 5.0 629 488 A 23 THR HG2% A 23 THR HA 1.0 . 4.2 630 489 A 34 ARG H A 34 ARG HA 1.0 . 4.3 631 490 A 21 MET H A 21 MET HGx 1.0 . 4.8 632 490 A 21 MET H A 21 MET HG3 1.0 . 4.8 633 491 A 29 VAL HGx% A 29 VAL HB 1.0 . 4.1 634 492 A 37 ASN HD21 A 37 ASN HBx 1.0 . 5.0 635 492 A 37 ASN HD21 A 37 ASN HBy 1.0 . 5.0 636 493 A 70 LEU HDy% A 70 LEU HBy 1.0 . 3.1 637 493 A 70 LEU HBx A 70 LEU HDy% 1.0 . 3.1 638 494 A 81 TYR H A 80 ALA HB% 1.0 . 4.3 639 495 A 26 GLY H A 26 GLY HAx 1.0 . 4.9 640 495 A 26 GLY H A 26 GLY HAy 1.0 . 4.9 641 496 A 71 THR HA A 70 LEU HDx% 1.0 . 4.2 642 497 A 81 TYR HD% A 81 TYR HA 1.0 . 4.3 643 498 A 89 ASP H A 88 ASP HA 1.0 . 4.7 644 499 A 39 VAL HB A 39 VAL H 1.0 . 4.6 645 500 A 76 ALA HB% A 73 ALA HA 1.0 . 4.6 646 501 A 47 ALA HB% A 29 VAL HGx% 1.0 . 4.1 647 502 A 21 MET HE% A 84 TYR HD% 1.0 . 4.6 648 503 A 47 ALA HB% A 47 ALA HA 1.0 . 3.8 649 504 A 77 ILE HD1% A 24 LEU HDx% 1.0 . 3.6 650 505 A 82 GLU H A 82 GLU HA 1.0 . 4.6 651 506 A 45 ASN H A 44 GLY HAx 1.0 . 5.0 652 506 A 45 ASN H A 44 GLY HAy 1.0 . 5.0 653 507 A 40 ILE HA A 40 ILE HG2% 1.0 . 4.6 654 508 A 50 ALA H A 47 ALA HA 1.0 . 5.0 655 509 A 47 ALA H A 47 ALA HB% 1.0 . 4.0 656 510 A 50 ALA HB% A 29 VAL HB 1.0 . 4.7 657 511 A 39 VAL HA A 39 VAL HGy% 1.0 . 3.8 658 512 A 30 LEU HDx% A 81 TYR HE% 1.0 . 4.2 659 513 A 40 ILE HA A 41 LEU H 1.0 . 4.3 660 514 A 25 MET HE% A 40 ILE HG1x 1.0 . 3.5 661 514 A 40 ILE HG1y A 25 MET HE% 1.0 . 3.5 662 515 A 47 ALA HB% A 81 TYR HD% 1.0 . 4.4 663 516 A 28 GLY H A 28 GLY HAx 1.0 . 4.7 664 516 A 28 GLY H A 28 GLY HAy 1.0 . 4.7 665 517 A 70 LEU HDx% A 55 THR HG2% 1.0 . 3.4 666 518 A 93 CYS H A 93 CYS HA 1.0 . 4.4 667 519 A 41 LEU HDy% A 39 VAL HGx% 1.0 . 3.5 668 520 A 40 ILE HA A 40 ILE HG2% 1.0 . 4.9 669 521 A 40 ILE HB A 40 ILE HD1% 1.0 . 3.6 670 522 A 51 TYR H A 51 TYR HA 1.0 . 5.0 671 523 A 77 ILE HD1% A 81 TYR HE% 1.0 . 4.7 672 524 A 31 ALA H A 31 ALA HA 1.0 . 5.0 673 525 A 33 CYS HA A 33 CYS HBx 1.0 . 4.7 674 525 A 33 CYS HB3 A 33 CYS HA 1.0 . 4.7 675 526 A 77 ILE H A 77 ILE HD1% 1.0 . 4.3 676 527 A 92 GLN H A 92 GLN HA 1.0 . 4.4 677 528 A 40 ILE HG2% A 84 TYR HD% 1.0 . 5.0 678 529 A 77 ILE HA A 21 MET HE% 1.0 . 3.8 679 530 A 56 TYR HA A 56 TYR HBx 1.0 . 4.9 680 530 A 56 TYR HBy A 56 TYR HA 1.0 . 4.9 681 531 A 24 LEU HDx% A 57 LEU HBy 1.0 . 4.7 682 531 A 57 LEU HBx A 24 LEU HDx% 1.0 . 4.7 683 532 A 21 MET H A 21 MET HB2 1.0 . 4.7 684 532 A 21 MET H A 21 MET HBy 1.0 . 4.7 685 533 A 29 VAL H A 29 VAL HB 1.0 . 4.2 686 534 A 27 SER HA A 27 SER HBy 1.0 . 4.2 687 534 A 27 SER HA A 27 SER HBx 1.0 . 4.2 688 535 A 50 ALA H A 50 ALA HB% 1.0 . 4.1 689 536 A 88 ASP HA A 88 ASP HBx 1.0 . 4.2 690 536 A 88 ASP HBy A 88 ASP HA 1.0 . 4.2 691 537 A 41 LEU H A 25 MET HE% 1.0 . 4.8 692 538 A 38 ASP H A 37 ASN HBx 1.0 . 4.9 693 538 A 37 ASN HBy A 38 ASP H 1.0 . 4.9 694 539 A 51 TYR HD% A 74 ARG HA 1.0 . 5.0 695 540 A 80 ALA HA A 80 ALA HB% 1.0 . 4.1 696 541 A 24 LEU H A 23 THR HA 1.0 . 5.0 697 542 A 41 LEU HDx% A 31 ALA HB% 1.0 . 4.2 698 543 A 57 LEU HDy% A 57 LEU HA 1.0 . 3.8 699 544 A 87 ILE HA A 87 ILE HD1% 1.0 . 4.8 700 545 A 85 CYS H A 85 CYS HA 1.0 . 5.0 701 546 A 40 ILE HD1% A 25 MET HBx 1.0 . 4.8 702 546 A 40 ILE HD1% A 25 MET HBy 1.0 . 4.8 703 547 A 25 MET HE% A 30 LEU HBx 1.0 . 3.5 704 547 A 30 LEU HBy A 25 MET HE% 1.0 . 3.5 705 548 A 40 ILE HB A 40 ILE HG2% 1.0 . 3.7 706 549 A 77 ILE HA A 77 ILE H 1.0 . 4.3 707 550 A 77 ILE HG2% A 25 MET HE% 1.0 . 5.0 708 551 A 40 ILE HD1% A 40 ILE HG1x 1.0 . 4.1 709 551 A 40 ILE HD1% A 40 ILE HG1y 1.0 . 4.1 710 552 A 57 LEU HDy% A 20 ALA HB% 1.0 . 3.5 711 553 A 35 ILE H A 34 ARG HBx 1.0 . 5.0 712 553 A 35 ILE H A 34 ARG HBy 1.0 . 5.0 713 554 A 25 MET HE% A 30 LEU HBx 1.0 . 3.4 714 554 A 30 LEU HBy A 25 MET HE% 1.0 . 3.4 715 555 A 81 TYR H A 81 TYR HBy 1.0 . 5.0 716 555 A 81 TYR H A 81 TYR HBx 1.0 . 5.0 717 556 A 21 MET HE% A 84 TYR HE% 1.0 . 4.1 718 557 A 70 LEU HA A 70 LEU HBy 1.0 . 4.9 719 557 A 70 LEU HA A 70 LEU HBx 1.0 . 4.9 720 558 A 58 TYR HD% A 55 THR HG2% 1.0 . 4.9 721 559 A 91 PRO HA A 91 PRO HBy 1.0 . 4.0 722 559 A 91 PRO HA A 91 PRO HBx 1.0 . 4.0 723 560 A 47 ALA H A 46 ASP HBx 1.0 . 5.0 724 560 A 46 ASP HBy A 47 ALA H 1.0 . 5.0 725 561 A 24 LEU H A 23 THR HG2% 1.0 . 4.7 726 562 A 88 ASP H A 87 ILE HG2% 1.0 . 4.4 727 563 A 35 ILE H A 35 ILE HA 1.0 . 4.3 728 564 A 70 LEU HDx% A 70 LEU HA 1.0 . 3.8 729 565 A 56 TYR HA A 56 TYR HBx 1.0 . 4.8 730 565 A 56 TYR HBy A 56 TYR HA 1.0 . 4.8 731 566 A 31 ALA HA A 31 ALA HB% 1.0 . 3.5 732 567 A 77 ILE HA A 77 ILE HG2% 1.0 . 4.3 733 568 A 40 ILE HG2% A 21 MET HE% 1.0 . 3.6 734 569 A 76 ALA HB% A 76 ALA HA 1.0 . 4.1 735 570 A 50 ALA HA A 50 ALA HB% 1.0 . 4.2 736 571 A 40 ILE HA A 40 ILE HD1% 1.0 . 4.6 737 572 A 76 ALA H A 73 ALA HA 1.0 . 5.0 738 573 A 77 ILE HG2% A 80 ALA HB% 1.0 . 5.0 739 574 A 76 ALA HB% A 24 LEU HDy% 1.0 . 5.0 740 575 A 24 LEU HDy% A 54 GLY HAx 1.0 . 3.6 741 575 A 54 GLY HAy A 24 LEU HDy% 1.0 . 3.6 742 576 A 56 TYR H A 55 THR HG2% 1.0 . 4.8 743 577 A 83 SER HA A 83 SER HBy 1.0 . 4.2 744 577 A 83 SER HA A 83 SER HBx 1.0 . 4.2 745 578 A 81 TYR HD% A 29 VAL HGx% 1.0 . 4.4 746 579 A 21 MET HE% A 21 MET HGx 1.0 . 3.8 747 579 A 21 MET HG3 A 21 MET HE% 1.0 . 3.8 748 580 A 39 VAL HA A 39 VAL HGx% 1.0 . 4.1 749 581 A 73 ALA HB% A 54 GLY HAx 1.0 . 4.6 750 581 A 54 GLY HAy A 73 ALA HB% 1.0 . 4.6 751 582 A 78 LYS H A 77 ILE HB 1.0 . 5.0 752 583 A 89 ASP H A 89 ASP HBx 1.0 . 4.1 753 583 A 89 ASP H A 89 ASP HBy 1.0 . 4.1 754 584 A 38 ASP HA A 38 ASP HBx 1.0 . 4.3 755 584 A 38 ASP HBy A 38 ASP HA 1.0 . 4.3 756 585 A 22 GLN HA A 22 GLN HBx 1.0 . 5.0 757 585 A 22 GLN HA A 22 GLN HBy 1.0 . 5.0 758 586 A 22 GLN H A 22 GLN HBx 1.0 . 4.6 759 586 A 22 GLN H A 22 GLN HBy 1.0 . 4.6 760 587 A 51 TYR HE% A 48 SER HA 1.0 . 4.8 761 588 A 57 LEU HDy% A 57 LEU HA 1.0 . 3.8 762 589 A 92 GLN HA A 92 GLN HBx 1.0 . 4.2 763 589 A 92 GLN HBy A 92 GLN HA 1.0 . 4.2 764 590 A 21 MET HE% A 84 TYR HE% 1.0 . 4.0 765 591 A 42 ASP H A 87 ILE HG2% 1.0 . 5.0 766 592 A 80 ALA HA A 80 ALA HB% 1.0 . 3.4 767 593 A 71 THR HA A 71 THR HG2% 1.0 . 3.7 768 594 A 76 ALA HB% A 77 ILE HD1% 1.0 . 5.0 769 595 A 57 LEU HDy% A 57 LEU HBy 1.0 . 4.0 770 595 A 57 LEU HBx A 57 LEU HDy% 1.0 . 4.0 771 596 A 21 MET H A 21 MET HGx 1.0 . 4.8 772 596 A 21 MET H A 21 MET HG3 1.0 . 4.8 773 597 A 20 ALA HB% A 17 GLU HBy 1.0 . 4.4 774 597 A 20 ALA HB% A 17 GLU HBx 1.0 . 4.4 775 598 A 75 ASP H A 75 ASP HA 1.0 . 4.0 776 599 A 76 ALA HB% A 24 LEU HDx% 1.0 . 5.0 777 600 A 24 LEU HDy% A 21 MET HB2 1.0 . 5.0 778 600 A 21 MET HBy A 24 LEU HDy% 1.0 . 5.0 779 601 A 29 VAL HGx% A 81 TYR HE% 1.0 . 4.2 780 602 A 40 ILE HA A 40 ILE HD1% 1.0 . 5.0 781 603 A 41 LEU HDy% A 31 ALA HB% 1.0 . 5.0 782 604 A 72 GLU HA A 72 GLU HBy 1.0 . 3.7 783 604 A 72 GLU HBx A 72 GLU HA 1.0 . 3.7 784 605 A 75 ASP HA A 75 ASP HBx 1.0 . 3.7 785 605 A 75 ASP HA A 75 ASP HBy 1.0 . 3.7 786 606 A 39 VAL HA A 39 VAL HGx% 1.0 . 4.0 787 607 A 40 ILE HD1% A 25 MET HE% 1.0 . 3.6 788 608 A 80 ALA H A 80 ALA HB% 1.0 . 3.6 789 609 A 81 TYR HD% A 81 TYR HBy 1.0 . 5.0 790 609 A 81 TYR HD% A 81 TYR HBx 1.0 . 5.0 791 610 A 82 GLU H A 80 ALA HB% 1.0 . 5.0 792 611 A 24 LEU HA A 23 THR HG2% 1.0 . 4.3 793 612 A 70 LEU H A 69 THR HG2% 1.0 . 4.9 794 613 A 35 ILE HD1% A 36 HIS HE1 1.0 . 5.0 795 614 A 88 ASP H A 88 ASP HA 1.0 . 5.0 796 615 A 72 GLU H A 72 GLU HA 1.0 . 4.9 797 616 A 51 TYR H A 29 VAL HGy% 1.0 . 5.0 798 617 A 27 SER HA A 27 SER H 1.0 . 5.0 799 618 A 51 TYR H A 50 ALA HB% 1.0 . 4.4 800 619 A 50 ALA H A 48 SER HA 1.0 . 4.9 801 620 A 21 MET HE% A 40 ILE HG1x 1.0 . 3.6 802 620 A 40 ILE HG1y A 21 MET HE% 1.0 . 3.6 803 621 A 50 ALA HB% A 47 ALA HA 1.0 . 5.0 804 622 A 43 SER H A 43 SER HA 1.0 . 4.9 805 623 A 70 LEU HA A 73 ALA HB% 1.0 . 4.6 806 624 A 50 ALA HB% A 29 VAL HGx% 1.0 . 3.6 807 625 A 37 ASN HA A 37 ASN HBx 1.0 . 4.3 808 625 A 37 ASN HA A 37 ASN HBy 1.0 . 4.3 809 626 A 30 LEU HDx% A 30 LEU H 1.0 . 3.8 810 627 A 40 ILE H A 40 ILE HG1x 1.0 . 5.0 811 627 A 40 ILE H A 40 ILE HG1y 1.0 . 5.0 812 628 A 35 ILE HB A 35 ILE HG2% 1.0 . 3.1 813 629 A 29 VAL HGy% A 29 VAL HB 1.0 . 4.0 814 630 A 76 ALA HB% A 76 ALA H 1.0 . 3.5 815 631 A 40 ILE HG2% A 40 ILE HG1x 1.0 . 3.7 816 631 A 40 ILE HG2% A 40 ILE HG1y 1.0 . 3.7 817 632 A 47 ALA HA A 29 VAL HGx% 1.0 . 3.6 818 633 A 22 GLN H A 20 ALA HB% 1.0 . 5.0 819 634 A 48 SER H A 47 ALA HB% 1.0 . 5.0 820 635 A 32 ARG H A 31 ALA HB% 1.0 . 3.7 821 636 A 41 LEU HDy% A 41 LEU HBx 1.0 . 3.4 822 636 A 41 LEU HDy% A 41 LEU HBy 1.0 . 3.4 823 637 A 73 ALA HB% A 54 GLY HAx 1.0 . 4.9 824 637 A 54 GLY HAy A 73 ALA HB% 1.0 . 4.9 825 638 A 50 ALA HB% A 29 VAL HGy% 1.0 . 4.0 826 639 A 19 TRP HE3 A 20 ALA HB% 1.0 . 4.4 827 640 A 93 CYS HA A 93 CYS HBy 1.0 . 4.4 828 640 A 93 CYS HBx A 93 CYS HA 1.0 . 4.4 829 641 A 38 ASP H A 37 ASN HBx 1.0 . 4.3 830 641 A 37 ASN HBy A 38 ASP H 1.0 . 4.3 831 642 A 50 ALA HB% A 47 ALA HA 1.0 . 4.1 832 643 A 41 LEU HDx% A 89 ASP H 1.0 . 5.0 833 644 A 77 ILE HA A 77 ILE HB 1.0 . 5.0 834 645 A 40 ILE HG2% A 84 TYR HE% 1.0 . 5.0 835 646 A 30 LEU H A 29 VAL HGy% 1.0 . 4.9 836 647 A 33 CYS H A 33 CYS HA 1.0 . 3.6 837 648 A 30 LEU HDx% A 40 ILE HB 1.0 . 3.5 838 649 A 35 ILE H A 35 ILE HB 1.0 . 4.1 839 650 A 51 TYR HD% A 47 ALA HB% 1.0 . 4.4 840 651 A 84 TYR HD% A 84 TYR HBx 1.0 . 5.0 841 651 A 84 TYR HBy A 84 TYR HD% 1.0 . 5.0 842 652 A 40 ILE HA A 40 ILE HG1x 1.0 . 4.7 843 652 A 40 ILE HA A 40 ILE HG1y 1.0 . 4.7 844 653 A 30 LEU HA A 30 LEU HBx 1.0 . 4.6 845 653 A 30 LEU HA A 30 LEU HBy 1.0 . 4.6 846 654 A 35 ILE HB A 35 ILE HA 1.0 . 4.8 847 655 A 77 ILE HA A 80 ALA HB% 1.0 . 4.8 848 656 A 21 MET HE% A 21 MET HGx 1.0 . 4.9 849 656 A 21 MET HG3 A 21 MET HE% 1.0 . 4.9 850 657 A 46 ASP H A 46 ASP HBx 1.0 . 4.9 851 657 A 46 ASP H A 46 ASP HBy 1.0 . 4.9 852 658 A 21 MET HE% A 25 MET HBx 1.0 . 3.6 853 658 A 25 MET HBy A 21 MET HE% 1.0 . 3.6 854 659 A 41 LEU HDx% A 41 LEU HDy% 1.0 . 3.4 855 660 A 33 CYS H A 37 ASN HA 1.0 . 4.7 856 661 A 76 ALA HB% A 58 TYR HD% 1.0 . 4.8 857 662 A 51 TYR HD% A 51 TYR HBx 1.0 . 5.0 858 662 A 51 TYR HD% A 51 TYR HBy 1.0 . 5.0 859 663 A 40 ILE HB A 40 ILE HG2% 1.0 . 4.2 860 664 A 71 THR H A 70 LEU HDy% 1.0 . 5.0 861 665 A 40 ILE HA A 32 ARG HA 1.0 . 5.0 862 666 A 51 TYR HD% A 51 TYR HA 1.0 . 4.3 863 667 A 40 ILE HG2% A 40 ILE HG1x 1.0 . 4.4 864 667 A 40 ILE HG2% A 40 ILE HG1y 1.0 . 4.4 865 668 A 47 ALA HA A 29 VAL HGx% 1.0 . 4.3 866 669 A 30 LEU HDx% A 40 ILE HD1% 1.0 . 4.2 867 670 A 81 TYR HD% A 81 TYR HBy 1.0 . 5.0 868 670 A 81 TYR HD% A 81 TYR HBx 1.0 . 5.0 869 671 A 50 ALA HB% A 29 VAL HGx% 1.0 . 3.7 870 672 A 34 ARG HA A 34 ARG HGy 1.0 . 4.2 871 672 A 34 ARG HA A 34 ARG HGx 1.0 . 4.2 872 673 A 32 ARG H A 31 ALA HA 1.0 . 4.0 873 674 A 24 LEU HA A 24 LEU HBx 1.0 . 5.0 874 674 A 24 LEU HB3 A 24 LEU HA 1.0 . 5.0 875 675 A 73 ALA H A 73 ALA HB% 1.0 . 3.7 876 676 A 73 ALA HB% A 55 THR HG2% 1.0 . 5.0 877 677 A 30 LEU HA A 30 LEU HDx% 1.0 . 4.6 878 678 A 40 ILE HG2% A 41 LEU H 1.0 . 4.4 879 679 A 35 ILE HD1% A 35 ILE HG2% 1.0 . 3.4 880 680 A 39 VAL HGy% A 84 TYR HE% 1.0 . 4.8 881 681 A 79 ASP H A 79 ASP HA 1.0 . 4.2 882 682 A 40 ILE HD1% A 84 TYR HE% 1.0 . 4.8 883 683 A 93 CYS HA A 93 CYS HBy 1.0 . 4.2 884 683 A 93 CYS HBx A 93 CYS HA 1.0 . 4.2 885 684 A 39 VAL HB A 39 VAL HA 1.0 . 5.0 886 685 A 33 CYS H A 32 ARG HA 1.0 . 4.3 887 686 A 77 ILE H A 77 ILE HB 1.0 . 5.0 888 687 A 93 CYS H A 93 CYS HBy 1.0 . 5.0 889 687 A 93 CYS H A 93 CYS HBx 1.0 . 5.0 890 688 A 35 ILE HA A 35 ILE HG2% 1.0 . 3.6 891 689 A 77 ILE HG2% A 50 ALA HB% 1.0 . 3.7 892 690 A 90 CYS H A 89 ASP HBx 1.0 . 5.0 893 690 A 90 CYS H A 89 ASP HBy 1.0 . 5.0 894 691 A 44 GLY H A 44 GLY HAx 1.0 . 4.6 895 691 A 44 GLY H A 44 GLY HAy 1.0 . 4.6 896 692 A 73 ALA HB% A 58 TYR HBx 1.0 . 5.0 897 692 A 73 ALA HB% A 58 TYR HBy 1.0 . 5.0 898 693 A 57 LEU HA A 57 LEU HDx% 1.0 . 5.0 899 694 A 34 ARG HA A 34 ARG HDx 1.0 . 5.0 900 694 A 34 ARG HDy A 34 ARG HA 1.0 . 5.0 901 695 A 87 ILE HB A 87 ILE HD1% 1.0 . 3.8 902 696 A 37 ASN H A 37 ASN HBx 1.0 . 4.7 903 696 A 37 ASN HBy A 37 ASN H 1.0 . 4.7 904 697 A 47 ALA HB% A 50 ALA HB% 1.0 . 4.9 905 698 A 81 TYR H A 81 TYR HBy 1.0 . 5.0 906 698 A 81 TYR H A 81 TYR HBx 1.0 . 5.0 907 699 A 72 GLU HA A 72 GLU HBy 1.0 . 3.8 908 699 A 72 GLU HBx A 72 GLU HA 1.0 . 3.8 909 700 A 41 LEU HDx% A 33 CYS HA 1.0 . 4.9 910 701 A 30 LEU HDx% A 40 ILE HG1x 1.0 . 3.1 911 701 A 30 LEU HDx% A 40 ILE HG1y 1.0 . 3.1 912 702 A 72 GLU H A 69 THR HG2% 1.0 . 4.8 913 703 A 77 ILE HB A 77 ILE HD1% 1.0 . 4.9 914 704 A 27 SER HA A 53 LEU HBy 1.0 . 5.0 915 704 A 27 SER HA A 53 LEU HBx 1.0 . 5.0 916 705 A 25 MET H A 24 LEU HDx% 1.0 . 5.0 917 706 A 40 ILE HG2% A 25 MET HE% 1.0 . 4.1 918 707 A 20 ALA HB% A 20 ALA HA 1.0 . 4.1 919 708 A 73 ALA HB% A 58 TYR HD% 1.0 . 3.8 920 709 A 77 ILE HG2% A 77 ILE HB 1.0 . 4.6 921 710 A 58 TYR HD% A 58 TYR HBx 1.0 . 5.0 922 710 A 58 TYR HBy A 58 TYR HD% 1.0 . 5.0 923 711 A 25 MET HE% A 40 ILE HG1x 1.0 . 3.5 924 711 A 40 ILE HG1y A 25 MET HE% 1.0 . 3.5 925 712 A 38 ASP H A 38 ASP HBx 1.0 . 4.2 926 712 A 38 ASP H A 38 ASP HBy 1.0 . 4.2 927 713 A 41 LEU HDx% A 39 VAL HGx% 1.0 . 4.1 928 714 A 31 ALA HA A 25 MET HE% 1.0 . 4.9 929 715 A 41 LEU HDx% A 90 CYS H 1.0 . 4.4 930 716 A 78 LYS HA A 82 GLU H 1.0 . 4.6 931 717 A 40 ILE HD1% A 21 MET HE% 1.0 . 3.4 932 718 A 76 ALA HB% A 73 ALA HA 1.0 . 4.0 933 719 A 31 ALA H A 30 LEU HA 1.0 . 4.6 934 720 A 25 MET H A 25 MET HE% 1.0 . 4.7 935 721 A 87 ILE HB A 87 ILE HG2% 1.0 . 3.8 936 722 A 35 ILE HB A 35 ILE HA 1.0 . 3.8 937 723 A 41 LEU HDx% A 33 CYS HBx 1.0 . 4.8 938 723 A 41 LEU HDx% A 33 CYS HB3 1.0 . 4.8 939 724 A 24 LEU H A 23 THR HB 1.0 . 4.8 940 725 A 31 ALA HA A 31 ALA HB% 1.0 . 4.4 941 726 A 24 LEU H A 24 LEU HDx% 1.0 . 4.7 942 727 A 41 LEU HDy% A 89 ASP HBx 1.0 . 4.7 943 727 A 41 LEU HDy% A 89 ASP HBy 1.0 . 4.7 944 728 A 81 TYR H A 81 TYR HA 1.0 . 4.7 945 729 A 39 VAL HB A 39 VAL HGx% 1.0 . 3.8 946 730 A 38 ASP HA A 38 ASP HBx 1.0 . 4.1 947 730 A 38 ASP HBy A 38 ASP HA 1.0 . 4.1 948 731 A 45 ASN H A 44 GLY HAx 1.0 . 5.0 949 731 A 45 ASN H A 44 GLY HAy 1.0 . 5.0 950 732 A 57 LEU HDx% A 57 LEU HBy 1.0 . 4.8 951 732 A 57 LEU HBx A 57 LEU HDx% 1.0 . 4.8 952 733 A 30 LEU HDx% A 24 LEU HDy% 1.0 . 3.7 953 734 A 77 ILE HA A 79 ASP H 1.0 . 5.0 954 735 A 40 ILE HB A 84 TYR HE% 1.0 . 5.0 955 736 A 24 LEU HDx% A 51 TYR HBx 1.0 . 5.0 956 736 A 51 TYR HBy A 24 LEU HDx% 1.0 . 5.0 957 737 A 35 ILE HA A 35 ILE HG2% 1.0 . 3.6 958 738 A 82 GLU H A 79 ASP HA 1.0 . 5.0 959 739 A 77 ILE HG2% A 58 TYR HE% 1.0 . 4.4 960 740 A 34 ARG HA A 34 ARG HBx 1.0 . 4.0 961 740 A 34 ARG HBy A 34 ARG HA 1.0 . 4.0 962 741 A 77 ILE HG2% A 50 ALA HB% 1.0 . 3.7 963 742 A 24 LEU HDx% A 54 GLY HAx 1.0 . 4.4 964 742 A 54 GLY HAy A 24 LEU HDx% 1.0 . 4.4 965 743 A 53 LEU HDx% A 24 LEU HDy% 1.0 . 4.3 966 744 A 21 MET H A 21 MET HE% 1.0 . 4.6 967 745 A 47 ALA HB% A 29 VAL HGx% 1.0 . 4.0 968 746 A 76 ALA HB% A 24 LEU HDx% 1.0 . 4.9 969 747 A 39 VAL HB A 39 VAL HGy% 1.0 . 4.3 970 748 A 21 MET HA A 21 MET H 1.0 . 4.4 971 749 A 23 THR HG2% A 23 THR HA 1.0 . 3.6 972 750 A 40 ILE HG2% A 84 TYR HBx 1.0 . 5.0 973 750 A 40 ILE HG2% A 84 TYR HBy 1.0 . 5.0 974 751 A 23 THR H A 23 THR HB 1.0 . 4.6 975 752 A 77 ILE HG2% A 80 ALA HB% 1.0 . 4.2 976 753 A 37 ASN HA A 37 ASN HBx 1.0 . 4.9 977 753 A 37 ASN HA A 37 ASN HBy 1.0 . 4.9 978 754 A 90 CYS H A 41 LEU HDy% 1.0 . 4.6 979 755 A 54 GLY H A 77 ILE HD1% 1.0 . 4.8 980 756 A 71 THR H A 69 THR HG2% 1.0 . 4.8 981 757 A 59 GLN H A 59 GLN HA 1.0 . 5.0 982 758 A 39 VAL H A 39 VAL HGx% 1.0 . 4.3 983 759 A 43 SER HA A 43 SER HBx 1.0 . 4.2 984 759 A 43 SER HBy A 43 SER HA 1.0 . 4.2 985 760 A 20 ALA HB% A 20 ALA HA 1.0 . 4.1 986 761 A 88 ASP HA A 88 ASP HBx 1.0 . 4.0 987 761 A 88 ASP HBy A 88 ASP HA 1.0 . 4.0 988 762 A 40 ILE HB A 40 ILE HG1x 1.0 . 5.0 989 762 A 40 ILE HB A 40 ILE HG1y 1.0 . 5.0 990 763 A 35 ILE H A 35 ILE HD1% 1.0 . 4.1 991 764 A 78 LYS H A 78 LYS HA 1.0 . 5.0 992 765 A 34 ARG H A 34 ARG HBx 1.0 . 3.8 993 765 A 34 ARG H A 34 ARG HBy 1.0 . 3.8 994 766 A 46 ASP H A 46 ASP HA 1.0 . 4.8 995 767 A 40 ILE HA A 40 ILE HB 1.0 . 4.4 996 768 A 72 GLU HA A 71 THR HG2% 1.0 . 5.0 997 769 A 40 ILE HG2% A 39 VAL HGx% 1.0 . 5.0 998 770 A 87 ILE HD1% A 84 TYR HE% 1.0 . 5.0 999 771 A 51 TYR HD% A 48 SER HA 1.0 . 4.2 1000 772 A 48 SER H A 48 SER HA 1.0 . 4.6 1001 773 A 35 ILE HB A 35 ILE HG2% 1.0 . 3.2 1002 774 A 29 VAL HGx% A 30 LEU H 1.0 . 4.8 1003 775 A 51 TYR HD% A 51 TYR HBx 1.0 . 5.0 1004 775 A 51 TYR HD% A 51 TYR HBy 1.0 . 5.0 1005 776 A 57 LEU HDx% A 23 THR HG2% 1.0 . 4.4 1006 777 A 31 ALA H A 41 LEU HBx 1.0 . 4.8 1007 777 A 31 ALA H A 41 LEU HBy 1.0 . 4.8 1008 778 A 35 ILE H A 34 ARG HA 1.0 . 5.0 1009 779 A 50 ALA H A 47 ALA HB% 1.0 . 5.0 1010 780 A 74 ARG H A 70 LEU HDy% 1.0 . 5.0 1011 781 A 47 ALA HB% A 81 TYR HE% 1.0 . 4.0 1012 782 A 73 ALA HB% A 58 TYR HE% 1.0 . 3.8 1013 783 A 47 ALA H A 47 ALA HA 1.0 . 5.0 1014 784 A 53 LEU HDx% A 53 LEU HBy 1.0 . 4.1 1015 784 A 53 LEU HBx A 53 LEU HDx% 1.0 . 4.1 1016 785 A 93 CYS H A 92 GLN HA 1.0 . 5.0 1017 786 A 40 ILE HG2% A 40 ILE HD1% 1.0 . 3.4 1018 787 A 76 ALA HB% A 73 ALA HB% 1.0 . 5.0 1019 788 A 72 GLU HA A 75 ASP H 1.0 . 4.6 1020 789 A 56 TYR H A 56 TYR HA 1.0 . 4.9 1021 790 A 40 ILE HA A 25 MET HE% 1.0 . 5.0 1022 791 A 55 THR H A 55 THR HG2% 1.0 . 4.6 1023 792 A 50 ALA HA A 53 LEU HBy 1.0 . 4.9 1024 792 A 50 ALA HA A 53 LEU HBx 1.0 . 4.9 1025 793 A 34 ARG HBy A 34 ARG HDx 1.0 . 4.1 1026 793 A 34 ARG HBx A 34 ARG HDx 1.0 . 4.1 1027 793 A 34 ARG HDy A 34 ARG HBx 1.0 . 4.1 1028 793 A 34 ARG HDy A 34 ARG HBy 1.0 . 4.1 1029 794 A 92 GLN HA A 92 GLN HBx 1.0 . 3.6 1030 794 A 92 GLN HBy A 92 GLN HA 1.0 . 3.6 1031 795 A 40 ILE H A 40 ILE HG1x 1.0 . 5.0 1032 795 A 40 ILE H A 40 ILE HG1y 1.0 . 5.0 1033 796 A 44 GLY H A 44 GLY HAx 1.0 . 4.6 1034 796 A 44 GLY H A 44 GLY HAy 1.0 . 4.6 1035 797 A 29 VAL H A 29 VAL HGy% 1.0 . 4.0 1036 798 A 48 SER HA A 48 SER HBx 1.0 . 3.6 1037 798 A 48 SER HB3 A 48 SER HA 1.0 . 3.6 1038 799 A 46 ASP HA A 46 ASP HBx 1.0 . 3.7 1039 799 A 46 ASP HBy A 46 ASP HA 1.0 . 3.7 1040 800 A 35 ILE H A 35 ILE HG2% 1.0 . 4.2 1041 801 A 76 ALA HB% A 58 TYR HD% 1.0 . 4.9 1042 802 A 47 ALA HB% A 47 ALA HA 1.0 . 3.7 1043 803 A 50 ALA HA A 53 LEU HBy 1.0 . 5.0 1044 803 A 50 ALA HA A 53 LEU HBx 1.0 . 5.0 1045 804 A 30 LEU HDx% A 25 MET HGy 1.0 . 3.6 1046 804 A 30 LEU HDx% A 25 MET HGx 1.0 . 3.6 1047 805 A 44 GLY H A 43 SER HA 1.0 . 5.0 1048 806 A 37 ASN HA A 37 ASN HD21 1.0 . 5.0 1049 807 A 91 PRO HA A 91 PRO HDy 1.0 . 4.1 1050 807 A 91 PRO HA A 91 PRO HDx 1.0 . 4.1 1051 808 A 40 ILE HG2% A 40 ILE HG1x 1.0 . 4.8 1052 808 A 40 ILE HG2% A 40 ILE HG1y 1.0 . 4.8 1053 809 A 35 ILE HB A 35 ILE HG2% 1.0 . 3.8 1054 810 A 84 TYR H A 83 SER HA 1.0 . 5.0 1055 811 A 23 THR HG2% A 23 THR HB 1.0 . 4.2 1056 812 A 77 ILE HG2% A 21 MET HGx 1.0 . 4.2 1057 812 A 77 ILE HG2% A 21 MET HG3 1.0 . 4.2 1058 813 A 40 ILE HB A 40 ILE HD1% 1.0 . 4.7 1059 814 A 40 ILE HD1% A 40 ILE HG1x 1.0 . 3.4 1060 814 A 40 ILE HD1% A 40 ILE HG1y 1.0 . 3.4 1061 815 A 57 LEU H A 57 LEU HA 1.0 . 4.7 1062 816 A 26 GLY H A 26 GLY HAx 1.0 . 4.8 1063 816 A 26 GLY H A 26 GLY HAy 1.0 . 4.8 1064 817 A 90 CYS H A 89 ASP HBx 1.0 . 5.0 1065 817 A 90 CYS H A 89 ASP HBy 1.0 . 5.0 1066 818 A 40 ILE H A 40 ILE HB 1.0 . 4.8 1067 819 A 30 LEU HDx% A 40 ILE HG2% 1.0 . 4.3 1068 820 A 93 CYS H A 93 CYS HBy 1.0 . 5.0 1069 820 A 93 CYS H A 93 CYS HBx 1.0 . 5.0 1070 821 A 77 ILE HG2% A 81 TYR HD% 1.0 . 4.6 1071 822 A 47 ALA H A 46 ASP HA 1.0 . 3.7 1072 823 A 74 ARG H A 74 ARG HA 1.0 . 5.0 1073 824 A 40 ILE HA A 39 VAL HGx% 1.0 . 4.8 1074 825 A 35 ILE H A 33 CYS HA 1.0 . 4.9 1075 826 A 77 ILE HD1% A 54 GLY HAx 1.0 . 4.3 1076 826 A 54 GLY HAy A 77 ILE HD1% 1.0 . 4.3 1077 827 A 55 THR HA A 55 THR HG2% 1.0 . 4.7 1078 828 A 35 ILE HB A 35 ILE HD1% 1.0 . 4.3 1079 829 A 39 VAL HB A 39 VAL HGx% 1.0 . 4.4 1080 830 A 52 LYS H A 52 LYS HA 1.0 . 4.2 1081 831 A 30 LEU HDx% A 40 ILE HG2% 1.0 . 4.3 1082 832 A 24 LEU H A 24 LEU HDy% 1.0 . 4.4 1083 833 A 25 MET HE% A 25 MET HBx 1.0 . 3.8 1084 833 A 25 MET HBy A 25 MET HE% 1.0 . 3.8 1085 834 A 21 MET H A 20 ALA HB% 1.0 . 4.1 1086 835 A 83 SER H A 83 SER HA 1.0 . 4.3 1087 836 A 39 VAL HGx% A 39 VAL HGy% 1.0 . 3.1 1088 837 A 77 ILE HG2% A 54 GLY HAx 1.0 . 4.4 1089 837 A 54 GLY HAy A 77 ILE HG2% 1.0 . 4.4 1090 838 A 77 ILE HD1% A 58 TYR HE% 1.0 . 4.7 1091 839 A 40 ILE H A 40 ILE HG2% 1.0 . 5.0 1092 840 A 21 MET HB2 A 21 MET HGx 1.0 . 3.0 1093 840 A 21 MET HG3 A 21 MET HB2 1.0 . 3.0 1094 840 A 21 MET HG3 A 21 MET HBy 1.0 . 3.0 1095 840 A 21 MET HBy A 21 MET HGx 1.0 . 3.0 1096 841 A 76 ALA HA A 76 ALA H 1.0 . 3.8 1097 842 A 80 ALA H A 79 ASP HA 1.0 . 4.6 1098 843 A 82 GLU HA A 82 GLU HBx 1.0 . 4.1 1099 843 A 82 GLU HA A 82 GLU HBy 1.0 . 4.1 1100 844 A 39 VAL HGx% A 33 CYS HBx 1.0 . 5.0 1101 844 A 33 CYS HB3 A 39 VAL HGx% 1.0 . 5.0 1102 845 A 47 ALA HA A 29 VAL HGy% 1.0 . 3.8 1103 846 A 74 ARG H A 73 ALA HB% 1.0 . 4.6 1104 847 A 77 ILE HD1% A 54 GLY HAx 1.0 . 4.1 1105 847 A 54 GLY HAy A 77 ILE HD1% 1.0 . 4.1 1106 848 A 78 LYS H A 77 ILE HG2% 1.0 . 5.0 1107 849 A 23 THR H A 23 THR HG2% 1.0 . 4.0 1108 850 A 38 ASP HA A 38 ASP HBx 1.0 . 3.6 1109 850 A 38 ASP HBy A 38 ASP HA 1.0 . 3.6 1110 851 A 73 ALA HB% A 73 ALA HA 1.0 . 3.8 1111 852 A 73 ALA HB% A 73 ALA HA 1.0 . 3.8 1112 853 A 20 ALA HB% A 17 GLU HBy 1.0 . 4.3 1113 853 A 20 ALA HB% A 17 GLU HBx 1.0 . 4.3 1114 854 A 21 MET H A 24 LEU HDy% 1.0 . 4.8 1115 855 A 41 LEU HDy% A 39 VAL HGx% 1.0 . 3.6 1116 856 A 47 ALA HB% A 51 TYR HE% 1.0 . 4.0 1117 857 A 87 ILE HD1% A 84 TYR HA 1.0 . 5.0 1118 858 A 40 ILE H A 39 VAL HA 1.0 . 3.8 1119 859 A 50 ALA HA A 50 ALA H 1.0 . 4.8 1120 860 A 34 ARG HBy A 34 ARG HDx 1.0 . 3.4 1121 860 A 34 ARG HBx A 34 ARG HDx 1.0 . 3.4 1122 860 A 34 ARG HDy A 34 ARG HBx 1.0 . 3.4 1123 860 A 34 ARG HDy A 34 ARG HBy 1.0 . 3.4 1124 861 A 41 LEU HDx% A 41 LEU HDy% 1.0 . 3.2 1125 862 A 40 ILE HD1% A 21 MET HE% 1.0 . 3.4 1126 863 A 41 LEU HDx% A 39 VAL HGx% 1.0 . 4.2 1127 864 A 40 ILE HD1% A 80 ALA HA 1.0 . 4.6 1128 865 A 29 VAL HGx% A 45 ASN HBx 1.0 . 5.0 1129 865 A 29 VAL HGx% A 45 ASN HBy 1.0 . 5.0 1130 866 A 31 ALA H A 31 ALA HB% 1.0 . 4.0 1131 867 A 77 ILE HG2% A 77 ILE HB 1.0 . 4.0 1132 868 A 38 ASP H A 38 ASP HA 1.0 . 4.4 1133 869 A 40 ILE HG2% A 40 ILE HD1% 1.0 . 3.7 1134 870 A 35 ILE HB A 35 ILE HD1% 1.0 . 3.1 1135 871 A 25 MET HE% A 81 TYR HE% 1.0 . 5.0 1136 872 A 57 LEU HDx% A 57 LEU HBy 1.0 . 4.7 1137 872 A 57 LEU HBx A 57 LEU HDx% 1.0 . 4.7 1138 873 A 87 ILE HD1% A 84 TYR HBx 1.0 . 5.0 1139 873 A 84 TYR HBy A 87 ILE HD1% 1.0 . 5.0 1140 874 A 29 VAL H A 29 VAL HGx% 1.0 . 5.0 1141 875 A 73 ALA H A 72 GLU HA 1.0 . 5.0 1142 876 A 89 ASP H A 89 ASP HBx 1.0 . 4.2 1143 876 A 89 ASP H A 89 ASP HBy 1.0 . 4.2 1144 877 A 31 ALA H A 30 LEU HDx% 1.0 . 4.8 1145 878 A 41 LEU HDx% A 41 LEU HBx 1.0 . 3.4 1146 878 A 41 LEU HDx% A 41 LEU HBy 1.0 . 3.4 1147 879 A 45 ASN H A 45 ASN HBx 1.0 . 5.0 1148 879 A 45 ASN H A 45 ASN HBy 1.0 . 5.0 1149 880 A 77 ILE HG2% A 54 GLY HAx 1.0 . 5.0 1150 880 A 54 GLY HAy A 77 ILE HG2% 1.0 . 5.0 1151 881 A 21 MET HB2 A 21 MET HGx 1.0 . 2.8 1152 881 A 21 MET HG3 A 21 MET HB2 1.0 . 2.8 1153 881 A 21 MET HG3 A 21 MET HBy 1.0 . 2.8 1154 881 A 21 MET HBy A 21 MET HGx 1.0 . 2.8 1155 882 A 57 LEU HDy% A 57 LEU HBy 1.0 . 5.0 1156 882 A 57 LEU HBx A 57 LEU HDy% 1.0 . 5.0 1157 883 A 30 LEU H A 29 VAL HB 1.0 . 5.0 1158 884 A 24 LEU HDy% A 21 MET HGx 1.0 . 4.3 1159 884 A 21 MET HG3 A 24 LEU HDy% 1.0 . 4.3 1160 885 A 87 ILE HD1% A 84 TYR HD% 1.0 . 4.3 1161 886 A 37 ASN HA A 38 ASP H 1.0 . 5.0 1162 887 A 51 TYR H A 24 LEU HDy% 1.0 . 5.0 1163 888 A 34 ARG HDy A 34 ARG HGy 1.0 . 3.0 1164 888 A 34 ARG HDx A 34 ARG HGy 1.0 . 3.0 1165 888 A 34 ARG HGx A 34 ARG HDx 1.0 . 3.0 1166 888 A 34 ARG HDy A 34 ARG HGx 1.0 . 3.0 1167 889 A 31 ALA H A 30 LEU HDy% 1.0 . 4.9 1168 890 A 73 ALA H A 73 ALA HA 1.0 . 4.4 1169 891 A 39 VAL H A 39 VAL HA 1.0 . 4.9 1170 892 A 77 ILE HG2% A 77 ILE HD1% 1.0 . 3.6 1171 893 A 87 ILE HA A 87 ILE HG2% 1.0 . 4.7 1172 894 A 35 ILE HA A 35 ILE HD1% 1.0 . 4.1 1173 895 A 20 ALA H A 20 ALA HB% 1.0 . 3.7 1174 896 A 53 LEU H A 52 LYS HA 1.0 . 5.0 1175 897 A 54 GLY H A 54 GLY HAx 1.0 . 5.0 1176 897 A 54 GLY H A 54 GLY HAy 1.0 . 5.0 1177 898 A 57 LEU HDy% A 23 THR HB 1.0 . 4.7 1178 899 A 50 ALA HA A 50 ALA HB% 1.0 . 4.4 1179 900 A 77 ILE HG2% A 21 MET HE% 1.0 . 4.4 1180 901 A 89 ASP H A 87 ILE HG2% 1.0 . 4.7 1181 902 A 37 ASN H A 37 ASN HBx 1.0 . 4.9 1182 902 A 37 ASN HBy A 37 ASN H 1.0 . 4.9 1183 903 A 56 TYR HD% A 56 TYR HA 1.0 . 4.8 1184 904 A 77 ILE HA A 77 ILE HB 1.0 . 4.8 1185 905 A 22 GLN H A 22 GLN HBx 1.0 . 4.7 1186 905 A 22 GLN H A 22 GLN HBy 1.0 . 4.7 1187 906 A 35 ILE HD1% A 35 ILE HG2% 1.0 . 3.1 1188 907 A 87 ILE HD1% A 84 TYR HBx 1.0 . 5.0 1189 907 A 84 TYR HBy A 87 ILE HD1% 1.0 . 5.0 1190 908 A 40 ILE HG2% A 40 ILE HG1x 1.0 . 3.6 1191 908 A 40 ILE HG2% A 40 ILE HG1y 1.0 . 3.6 1192 909 A 43 SER HA A 43 SER HBx 1.0 . 5.0 1193 909 A 43 SER HBy A 43 SER HA 1.0 . 5.0 1194 910 A 51 TYR HE% A 77 ILE HB 1.0 . 5.0 1195 911 A 33 CYS H A 41 LEU HDx% 1.0 . 5.0 1196 912 A 77 ILE H A 77 ILE HG2% 1.0 . 4.6 1197 913 A 40 ILE HD1% A 40 ILE HG1x 1.0 . 3.4 1198 913 A 40 ILE HD1% A 40 ILE HG1y 1.0 . 3.4 1199 914 A 21 MET HE% A 40 ILE HG1x 1.0 . 3.5 1200 914 A 40 ILE HG1y A 21 MET HE% 1.0 . 3.5 1201 915 A 73 ALA HB% A 77 ILE HD1% 1.0 . 3.7 1202 916 A 30 LEU HDx% A 25 MET HE% 1.0 . 4.6 1203 917 A 57 LEU HDy% A 57 LEU HBy 1.0 . 4.9 1204 917 A 57 LEU HBx A 57 LEU HDy% 1.0 . 4.9 1205 918 A 29 VAL HGx% A 29 VAL HB 1.0 . 3.8 1206 919 A 30 LEU HDx% A 21 MET HE% 1.0 . 4.2 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _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 15 ASP C A 16 GLN N A 16 GLN CA A 16 GLN C 1.0 -74.0 -54.0 PHI 2 2 A 16 GLN N A 16 GLN CA A 16 GLN C A 17 GLU N 1.0 -53.0 -33.0 PSI 3 3 A 16 GLN C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -71.0 -51.0 PHI 4 4 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 GLN N 1.0 -53.0 -33.0 PSI 5 5 A 17 GLU C A 18 GLN N A 18 GLN CA A 18 GLN C 1.0 -76.0 -56.0 PHI 6 6 A 18 GLN N A 18 GLN CA A 18 GLN C A 19 TRP N 1.0 -52.5 -31.5 PSI 7 7 A 18 GLN C A 19 TRP N A 19 TRP CA A 19 TRP C 1.0 -74.0 -54.0 PHI 8 8 A 19 TRP N A 19 TRP CA A 19 TRP C A 20 ALA N 1.0 -53.0 -33.0 PSI 9 9 A 19 TRP C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -75.0 -55.0 PHI 10 10 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 MET N 1.0 -49.5 -28.5 PSI 11 11 A 20 ALA C A 21 MET N A 21 MET CA A 21 MET C 1.0 -93.0 -51.0 PHI 12 12 A 21 MET N A 21 MET CA A 21 MET C A 22 GLN N 1.0 -63.5 -12.5 PSI 13 13 A 24 LEU C A 25 MET N A 25 MET CA A 25 MET C 1.0 -73.0 -53.0 PHI 14 14 A 25 MET N A 25 MET CA A 25 MET C A 26 GLY N 1.0 -47.5 -20.5 PSI 15 15 A 25 MET C A 26 GLY N A 26 GLY CA A 26 GLY C 1.0 -82.5 -49.5 PHI 16 16 A 26 GLY N A 26 GLY CA A 26 GLY C A 27 SER N 1.0 -57.0 -9.0 PSI 17 17 A 26 GLY C A 27 SER N A 27 SER CA A 27 SER C 1.0 -118.0 -64.0 PHI 18 18 A 27 SER N A 27 SER CA A 27 SER C A 28 GLY N 1.0 -25.5 19.5 PSI 19 19 A 27 SER C A 28 GLY N A 28 GLY CA A 28 GLY C 1.0 57.5 96.5 PHI 20 20 A 28 GLY N A 28 GLY CA A 28 GLY C A 29 VAL N 1.0 -5.0 37.0 PSI 21 21 A 28 GLY C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -73.0 -53.0 PHI 22 22 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 LEU N 1.0 -46.0 -22.0 PSI 23 23 A 29 VAL C A 30 LEU N A 30 LEU CA A 30 LEU C 1.0 -198.5 -57.5 PHI 24 24 A 30 LEU N A 30 LEU CA A 30 LEU C A 31 ALA N 1.0 132.5 177.5 PSI 25 25 A 30 LEU C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -164.5 -83.5 PHI 26 26 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 ARG N 1.0 131.5 170.5 PSI 27 27 A 31 ALA C A 32 ARG N A 32 ARG CA A 32 ARG C 1.0 -125.0 -83.0 PHI 28 28 A 32 ARG N A 32 ARG CA A 32 ARG C A 33 CYS N 1.0 116.5 155.5 PSI 29 29 A 33 CYS C A 34 ARG N A 34 ARG CA A 34 ARG C 1.0 -74.0 -50.0 PHI 30 30 A 34 ARG N A 34 ARG CA A 34 ARG C A 35 ILE N 1.0 -57.0 3.0 PSI 31 31 A 34 ARG C A 35 ILE N A 35 ILE CA A 35 ILE C 1.0 -126.0 -78.0 PHI 32 32 A 35 ILE N A 35 ILE CA A 35 ILE C A 36 HIS N 1.0 -19.5 19.5 PSI 33 33 A 35 ILE C A 36 HIS N A 36 HIS CA A 36 HIS C 1.0 -161.0 -47.0 PHI 34 34 A 36 HIS N A 36 HIS CA A 36 HIS C A 37 ASN N 1.0 104.5 179.5 PSI 35 35 A 36 HIS C A 37 ASN N A 37 ASN CA A 37 ASN C 1.0 -97.5 -34.5 PHI 36 36 A 37 ASN N A 37 ASN CA A 37 ASN C A 38 ASP N 1.0 -59.5 -8.5 PSI 37 37 A 37 ASN C A 38 ASP N A 38 ASP CA A 38 ASP C 1.0 -122.0 -80.0 PHI 38 38 A 38 ASP N A 38 ASP CA A 38 ASP C A 39 VAL N 1.0 -15.0 27.0 PSI 39 39 A 38 ASP C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -124.5 -67.5 PHI 40 40 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 ILE N 1.0 110.5 155.5 PSI 41 41 A 39 VAL C A 40 ILE N A 40 ILE CA A 40 ILE C 1.0 -126.0 -96.0 PHI 42 42 A 40 ILE N A 40 ILE CA A 40 ILE C A 41 LEU N 1.0 114.5 141.5 PSI 43 43 A 40 ILE C A 41 LEU N A 41 LEU CA A 41 LEU C 1.0 -164.0 -86.0 PHI 44 44 A 41 LEU N A 41 LEU CA A 41 LEU C A 42 ASP N 1.0 136.5 175.5 PSI 45 45 A 41 LEU C A 42 ASP N A 42 ASP CA A 42 ASP C 1.0 -116.5 -59.5 PHI 46 46 A 42 ASP N A 42 ASP CA A 42 ASP C A 43 SER N 1.0 101.0 137.0 PSI 47 47 A 43 SER C A 44 GLY N A 44 GLY CA A 44 GLY C 1.0 57.5 102.5 PHI 48 48 A 44 GLY N A 44 GLY CA A 44 GLY C A 45 ASN N 1.0 -32.5 36.5 PSI 49 49 A 44 GLY C A 45 ASN N A 45 ASN CA A 45 ASN C 1.0 -144.5 14.5 PHI 50 50 A 45 ASN N A 45 ASN CA A 45 ASN C A 46 ASP N 1.0 85.5 178.5 PSI 51 51 A 45 ASN C A 46 ASP N A 46 ASP CA A 46 ASP C 1.0 -145.0 -49.0 PHI 52 52 A 46 ASP N A 46 ASP CA A 46 ASP C A 47 ALA N 1.0 93.5 180.5 PSI 53 53 A 46 ASP C A 47 ALA N A 47 ALA CA A 47 ALA C 1.0 -76.5 -55.5 PHI 54 54 A 47 ALA N A 47 ALA CA A 47 ALA C A 48 SER N 1.0 -44.5 -11.5 PSI 55 55 A 47 ALA C A 48 SER N A 48 SER CA A 48 SER C 1.0 -73.0 -53.0 PHI 56 56 A 48 SER N A 48 SER CA A 48 SER C A 49 SER N 1.0 -52.0 -32.0 PSI 57 57 A 48 SER C A 49 SER N A 49 SER CA A 49 SER C 1.0 -99.0 -51.0 PHI 58 58 A 49 SER N A 49 SER CA A 49 SER C A 50 ALA N 1.0 -54.5 14.5 PSI 59 59 A 49 SER C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -72.0 -52.0 PHI 60 60 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 TYR N 1.0 -50.0 -30.0 PSI 61 61 A 50 ALA C A 51 TYR N A 51 TYR CA A 51 TYR C 1.0 -74.5 -53.5 PHI 62 62 A 51 TYR N A 51 TYR CA A 51 TYR C A 52 LYS N 1.0 -47.0 -27.0 PSI 63 63 A 51 TYR C A 52 LYS N A 52 LYS CA A 52 LYS C 1.0 -76.0 -56.0 PHI 64 64 A 52 LYS N A 52 LYS CA A 52 LYS C A 53 LEU N 1.0 -49.0 -29.0 PSI 65 65 A 52 LYS C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -73.0 -53.0 PHI 66 66 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 GLY N 1.0 -49.5 -28.5 PSI 67 67 A 53 LEU C A 54 GLY N A 54 GLY CA A 54 GLY C 1.0 -80.0 -50.0 PHI 68 68 A 54 GLY N A 54 GLY CA A 54 GLY C A 55 THR N 1.0 -55.0 -35.0 PSI 69 69 A 54 GLY C A 55 THR N A 55 THR CA A 55 THR C 1.0 -73.5 -52.5 PHI 70 70 A 55 THR N A 55 THR CA A 55 THR C A 56 TYR N 1.0 -54.0 -34.0 PSI 71 71 A 55 THR C A 56 TYR N A 56 TYR CA A 56 TYR C 1.0 -73.0 -53.0 PHI 72 72 A 56 TYR N A 56 TYR CA A 56 TYR C A 57 LEU N 1.0 -52.0 -32.0 PSI 73 73 A 56 TYR C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -76.0 -56.0 PHI 74 74 A 57 LEU N A 57 LEU CA A 57 LEU C A 58 TYR N 1.0 -49.0 -25.0 PSI 75 75 A 57 LEU C A 58 TYR N A 58 TYR CA A 58 TYR C 1.0 -98.0 -44.0 PHI 76 76 A 58 TYR N A 58 TYR CA A 58 TYR C A 59 GLN N 1.0 -54.5 -27.5 PSI 77 77 A 67 PHE C A 68 ASN N A 68 ASN CA A 68 ASN C 1.0 -93.0 -57.0 PHI 78 78 A 68 ASN N A 68 ASN CA A 68 ASN C A 69 THR N 1.0 115.0 145.0 PSI 79 79 A 68 ASN C A 69 THR N A 69 THR CA A 69 THR C 1.0 -136.5 -73.5 PHI 80 80 A 69 THR N A 69 THR CA A 69 THR C A 70 LEU N 1.0 120.0 204.0 PSI 81 81 A 69 THR C A 70 LEU N A 70 LEU CA A 70 LEU C 1.0 -73.0 -49.0 PHI 82 82 A 70 LEU N A 70 LEU CA A 70 LEU C A 71 THR N 1.0 -53.5 -20.5 PSI 83 83 A 70 LEU C A 71 THR N A 71 THR CA A 71 THR C 1.0 -72.0 -52.0 PHI 84 84 A 71 THR N A 71 THR CA A 71 THR C A 72 GLU N 1.0 -52.0 -32.0 PSI 85 85 A 71 THR C A 72 GLU N A 72 GLU CA A 72 GLU C 1.0 -75.0 -55.0 PHI 86 86 A 72 GLU N A 72 GLU CA A 72 GLU C A 73 ALA N 1.0 -50.5 -29.5 PSI 87 87 A 72 GLU C A 73 ALA N A 73 ALA CA A 73 ALA C 1.0 -74.0 -54.0 PHI 88 88 A 73 ALA N A 73 ALA CA A 73 ALA C A 74 ARG N 1.0 -51.5 -30.5 PSI 89 89 A 73 ALA C A 74 ARG N A 74 ARG CA A 74 ARG C 1.0 -73.0 -53.0 PHI 90 90 A 74 ARG N A 74 ARG CA A 74 ARG C A 75 ASP N 1.0 -46.0 -26.0 PSI 91 91 A 74 ARG C A 75 ASP N A 75 ASP CA A 75 ASP C 1.0 -76.0 -56.0 PHI 92 92 A 75 ASP N A 75 ASP CA A 75 ASP C A 76 ALA N 1.0 -51.0 -31.0 PSI 93 93 A 75 ASP C A 76 ALA N A 76 ALA CA A 76 ALA C 1.0 -73.0 -53.0 PHI 94 94 A 76 ALA N A 76 ALA CA A 76 ALA C A 77 ILE N 1.0 -51.0 -31.0 PSI 95 95 A 76 ALA C A 77 ILE N A 77 ILE CA A 77 ILE C 1.0 -77.5 -56.5 PHI 96 96 A 77 ILE N A 77 ILE CA A 77 ILE C A 78 LYS N 1.0 -52.5 -31.5 PSI 97 97 A 77 ILE C A 78 LYS N A 78 LYS CA A 78 LYS C 1.0 -71.0 -51.0 PHI 98 98 A 78 LYS N A 78 LYS CA A 78 LYS C A 79 ASP N 1.0 -49.0 -29.0 PSI 99 99 A 78 LYS C A 79 ASP N A 79 ASP CA A 79 ASP C 1.0 -76.0 -56.0 PHI 100 100 A 79 ASP N A 79 ASP CA A 79 ASP C A 80 ALA N 1.0 -51.0 -31.0 PSI 101 101 A 79 ASP C A 80 ALA N A 80 ALA CA A 80 ALA C 1.0 -79.0 -59.0 PHI 102 102 A 80 ALA N A 80 ALA CA A 80 ALA C A 81 TYR N 1.0 -51.0 -27.0 PSI 103 103 A 80 ALA C A 81 TYR N A 81 TYR CA A 81 TYR C 1.0 -73.0 -53.0 PHI 104 104 A 81 TYR N A 81 TYR CA A 81 TYR C A 82 GLU N 1.0 -54.0 -34.0 PSI 105 105 A 81 TYR C A 82 GLU N A 82 GLU CA A 82 GLU C 1.0 -75.0 -55.0 PHI 106 106 A 82 GLU N A 82 GLU CA A 82 GLU C A 83 SER N 1.0 -57.5 -24.5 PSI 107 107 A 82 GLU C A 83 SER N A 83 SER CA A 83 SER C 1.0 -80.5 -53.5 PHI 108 108 A 83 SER N A 83 SER CA A 83 SER C A 84 TYR N 1.0 -47.5 -14.5 PSI 109 109 A 83 SER C A 84 TYR N A 84 TYR CA A 84 TYR C 1.0 -127.0 -67.0 PHI 110 110 A 84 TYR N A 84 TYR CA A 84 TYR C A 85 CYS N 1.0 -50.0 22.0 PSI 111 111 A 84 TYR C A 85 CYS N A 85 CYS CA A 85 CYS C 1.0 -93.0 -39.0 PHI 112 112 A 85 CYS N A 85 CYS CA A 85 CYS C A 86 GLY N 1.0 122.0 142.0 PSI 113 113 A 85 CYS C A 86 GLY N A 86 GLY CA A 86 GLY C 1.0 74.5 107.5 PHI 114 114 A 86 GLY N A 86 GLY CA A 86 GLY C A 87 ILE N 1.0 -32.0 4.0 PSI 115 115 A 86 GLY C A 87 ILE N A 87 ILE CA A 87 ILE C 1.0 -126.5 -57.5 PHI 116 116 A 87 ILE N A 87 ILE CA A 87 ILE C A 88 ASP N 1.0 92.0 152.0 PSI 117 117 A 87 ILE C A 88 ASP N A 88 ASP CA A 88 ASP C 1.0 -122.0 -74.0 PHI 118 118 A 88 ASP N A 88 ASP CA A 88 ASP C A 89 ASP N 1.0 -55.0 -1.0 PSI 119 119 A 88 ASP C A 89 ASP N A 89 ASP CA A 89 ASP C 1.0 -158.5 -119.5 PHI 120 120 A 89 ASP N A 89 ASP CA A 89 ASP C A 90 CYS N 1.0 130.0 150.0 PSI 121 121 A 91 PRO N A 91 PRO CA A 91 PRO C A 92 GLN N 1.0 -47.5 -14.5 PSI 122 122 A 91 PRO C A 92 GLN N A 92 GLN CA A 92 GLN C 1.0 -78.5 -57.5 PHI 123 123 A 92 GLN N A 92 GLN CA A 92 GLN C A 93 CYS N 1.0 -49.5 -22.5 PSI 124 124 A 93 CYS C A 94 SER N A 94 SER CA A 94 SER C 1.0 -90.0 -54.0 PHI 125 125 A 94 SER N A 94 SER CA A 94 SER C A 95 LYS N 1.0 -36.5 14.5 PSI 126 126 A 94 SER C A 95 LYS N A 95 LYS CA A 95 LYS C 1.0 -134.0 -68.0 PHI 127 127 A 95 LYS N A 95 LYS CA A 95 LYS C A 96 TYR N 1.0 -33.5 29.5 PSI 128 128 A 95 LYS C A 96 TYR N A 96 TYR CA A 96 TYR C 1.0 -164.5 -41.5 PHI 129 129 A 96 TYR N A 96 TYR CA A 96 TYR C A 97 ILE N 1.0 109.0 181.0 PSI 130 130 A 96 TYR C A 97 ILE N A 97 ILE CA A 97 ILE C 1.0 -216.5 -33.5 PHI 131 131 A 97 ILE N A 97 ILE CA A 97 ILE C A 98 ASP N 1.0 102.5 165.5 PSI 132 132 A 97 ILE C A 98 ASP N A 98 ASP CA A 98 ASP C 1.0 -95.0 -59.0 PHI 133 133 A 98 ASP N A 98 ASP CA A 98 ASP C A 99 ASP N 1.0 104.5 155.5 PSI stop_ save_ save_peak_list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode peak_list _nef_nmr_spectrum.num_dimensions 2 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 3662.12109375 2 15N 1350.00000000 stop_ save_