data_nef_c30370_6bi6 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6BI6 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 0 GLY start . false 2 A 1 PRO middle . false 3 A 2 THR middle . . 4 A 3 SER middle . . 5 A 4 LEU middle . . 6 A 5 GLN middle . . 7 A 6 LEU middle . . 8 A 7 SER middle . . 9 A 8 ILE middle . . 10 A 9 VAL middle . . 11 A 10 HIS middle . . 12 A 11 ARG middle . . 13 A 12 LEU middle . . 14 A 13 PRO middle . false 15 A 14 GLN middle . . 16 A 15 ASN middle . . 17 A 16 TYR middle . . 18 A 17 ARG middle . . 19 A 18 TRP middle . . 20 A 19 SER middle . . 21 A 20 ALA middle . . 22 A 21 GLY middle . false 23 A 22 PHE middle . . 24 A 23 ALA middle . . 25 A 24 GLY middle . false 26 A 25 SER middle . . 27 A 26 LYS middle . . 28 A 27 VAL middle . . 29 A 28 GLU middle . . 30 A 29 PRO middle . false 31 A 30 ILE middle . . 32 A 31 PRO middle . false 33 A 32 GLN middle . . 34 A 33 ASN middle . . 35 A 34 GLY middle . false 36 A 35 PRO middle . false 37 A 36 CYS middle . . 38 A 37 GLY middle . false 39 A 38 ASP middle . . 40 A 39 ASN middle . . 41 A 40 SER middle . . 42 A 41 LEU middle . . 43 A 42 VAL middle . . 44 A 43 ALA middle . . 45 A 44 LEU middle . . 46 A 45 LYS middle . . 47 A 46 LEU middle . . 48 A 47 LEU middle . . 49 A 48 SER middle . . 50 A 49 PRO middle . true 51 A 50 ASP middle . . 52 A 51 GLY middle . false 53 A 52 ASP middle . . 54 A 53 ASN middle . . 55 A 54 ALA middle . . 56 A 55 TRP middle . . 57 A 56 SER middle . . 58 A 57 VAL middle . . 59 A 58 MET middle . . 60 A 59 TYR middle . . 61 A 60 LYS middle . . 62 A 61 LEU middle . . 63 A 62 SER middle . . 64 A 63 GLN middle . . 65 A 64 ALA middle . . 66 A 65 LEU middle . . 67 A 66 SER middle . . 68 A 67 ASP middle . . 69 A 68 ILE middle . . 70 A 69 GLU middle . . 71 A 70 VAL middle . . 72 A 71 PRO middle . false 73 A 72 CYS middle . . 74 A 73 SER middle . . 75 A 74 VAL middle . . 76 A 75 LEU middle . . 77 A 76 GLU middle . . 78 A 77 CYS middle . . 79 A 78 GLU middle . . 80 A 79 GLY middle . false 81 A 80 GLU middle . . 82 A 81 PRO middle . false 83 A 82 CYS middle . . 84 A 83 LEU middle . . 85 A 84 PHE middle . . 86 A 85 VAL middle . . 87 A 86 ASN middle . . 88 A 87 ARG middle . . 89 A 88 GLN middle . . 90 A 89 ASP middle . . 91 A 90 GLU middle . . 92 A 91 PHE middle . . 93 A 92 ALA middle . . 94 A 93 ALA middle . . 95 A 94 THR middle . . 96 A 95 CYS middle . . 97 A 96 ARG middle . . 98 A 97 LEU middle . . 99 A 98 LYS middle . . 100 A 99 ASN middle . . 101 A 100 PHE middle . . 102 A 101 GLY middle . false 103 A 102 VAL middle . . 104 A 103 ALA middle . . 105 A 104 ILE middle . . 106 A 105 ALA middle . . 107 A 106 GLU middle . . 108 A 107 PRO middle . false 109 A 108 PHE middle . . 110 A 109 SER middle . . 111 A 110 ASN middle . . 112 A 111 TYR middle . . 113 A 112 ASN middle . . 114 A 113 PRO middle . false 115 A 114 PHE end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 PRO HA H 1 4.481 0.02 A 1 PRO HBx H 1 1.887 0.02 A 1 PRO HBy H 1 2.236 0.02 A 1 PRO HGx H 1 1.757 0.02 A 1 PRO HGy H 1 1.929 0.02 A 1 PRO C C 13 178.134 0.3 A 1 PRO CA C 13 63.038 0.3 A 1 PRO CB C 13 32.231 0.3 A 1 PRO CD C 13 49.7 0.3 A 1 PRO CG C 13 27.099 0.3 A 2 THR H H 1 8.298 0.02 A 2 THR HA H 1 4.297 0.02 A 2 THR HB H 1 4.194 0.02 A 2 THR HG2% H 1 1.14 0.02 A 2 THR C C 13 175.491 0.3 A 2 THR CA C 13 61.718 0.3 A 2 THR CB C 13 69.716 0.3 A 2 THR CG2 C 13 21.621 0.3 A 2 THR N N 15 113.255 0.25 A 3 SER H H 1 8.186 0.02 A 3 SER HA H 1 4.341 0.02 A 3 SER HBx H 1 3.774 0.02 A 3 SER HBy H 1 3.774 0.02 A 3 SER C C 13 175.689 0.3 A 3 SER CA C 13 58.426 0.3 A 3 SER CB C 13 63.464 0.3 A 3 SER N N 15 116.729 0.25 A 4 LEU H H 1 8.209 0.02 A 4 LEU HA H 1 4.17 0.02 A 4 LEU HBy H 1 1.536 0.02 A 4 LEU HBx H 1 1.458 0.02 A 4 LEU HDx% H 1 0.647 0.02 A 4 LEU HDy% H 1 0.742 0.02 A 4 LEU HG H 1 1.527 0.02 A 4 LEU C C 13 178.262 0.3 A 4 LEU CA C 13 55.748 0.3 A 4 LEU CB C 13 42.292 0.3 A 4 LEU CDy C 13 25.076 0.3 A 4 LEU CDx C 13 23.717 0.3 A 4 LEU CG C 13 27.24 0.3 A 4 LEU N N 15 123.216 0.25 A 5 GLN H H 1 8.122 0.02 A 5 GLN HA H 1 4.212 0.02 A 5 GLN HBy H 1 1.983 0.02 A 5 GLN HBx H 1 1.92 0.02 A 5 GLN HE2x H 1 7.529 0.02 A 5 GLN HGx H 1 2.27 0.02 A 5 GLN HGy H 1 2.27 0.02 A 5 GLN C C 13 176.515 0.3 A 5 GLN CA C 13 56.089 0.3 A 5 GLN CB C 13 28.954 0.3 A 5 GLN CG C 13 34.096 0.3 A 5 GLN N N 15 119.279 0.25 A 6 LEU H H 1 7.916 0.02 A 6 LEU HA H 1 4.34 0.02 A 6 LEU HBx H 1 1.519 0.02 A 6 LEU HBy H 1 1.519 0.02 A 6 LEU HDx% H 1 0.745 0.02 A 6 LEU HDy% H 1 0.799 0.02 A 6 LEU HG H 1 1.482 0.02 A 6 LEU C C 13 178.069 0.3 A 6 LEU CA C 13 54.897 0.3 A 6 LEU CB C 13 42.38 0.3 A 6 LEU CDx C 13 23.449 0.3 A 6 LEU CDy C 13 25.074 0.3 A 6 LEU CG C 13 27.316 0.3 A 6 LEU N N 15 121.278 0.25 A 7 SER H H 1 8.041 0.02 A 7 SER HA H 1 4.881 0.02 A 7 SER HBx H 1 3.629 0.02 A 7 SER HBy H 1 3.805 0.02 A 7 SER C C 13 178.508 0.3 A 7 SER CA C 13 58.221 0.3 A 7 SER CB C 13 64.611 0.3 A 7 SER N N 15 117.668 0.25 A 8 ILE H H 1 8.597 0.02 A 8 ILE HA H 1 4.872 0.02 A 8 ILE HB H 1 1.415 0.02 A 8 ILE HD1% H 1 0.689 0.02 A 8 ILE HG2% H 1 0.69 0.02 A 8 ILE C C 13 176.351 0.3 A 8 ILE CA C 13 60.377 0.3 A 8 ILE CB C 13 41.401 0.3 A 8 ILE CD1 C 13 13.486 0.3 A 8 ILE CG1 C 13 27.111 0.3 A 8 ILE CG2 C 13 17.871 0.3 A 8 ILE N N 15 122.304 0.25 A 9 VAL H H 1 8.892 0.02 A 9 VAL HA H 1 4.606 0.02 A 9 VAL HB H 1 1.573 0.02 A 9 VAL HGx% H 1 0.595 0.02 A 9 VAL HGy% H 1 0.595 0.02 A 9 VAL C C 13 177.734 0.3 A 9 VAL CA C 13 59.038 0.3 A 9 VAL CB C 13 35.036 0.3 A 9 VAL CGx C 13 21.477 0.3 A 9 VAL N N 15 122.955 0.25 A 13 PRO HA H 1 4.26 0.02 A 13 PRO HBy H 1 2.089 0.02 A 13 PRO HBx H 1 1.937 0.02 A 13 PRO HGx H 1 1.941 0.02 A 13 PRO HGy H 1 1.941 0.02 A 13 PRO C C 13 177.914 0.3 A 13 PRO CA C 13 64.22 0.3 A 13 PRO CB C 13 31.572 0.3 A 13 PRO CG C 13 27.662 0.3 A 14 GLN H H 1 7.35 0.02 A 14 GLN HA H 1 4.213 0.02 A 14 GLN HBx H 1 1.753 0.02 A 14 GLN HBy H 1 1.753 0.02 A 14 GLN HGx H 1 1.959 0.02 A 14 GLN HGy H 1 2.099 0.02 A 14 GLN C C 13 175.334 0.3 A 14 GLN CA C 13 55.48 0.3 A 14 GLN CB C 13 29.593 0.3 A 14 GLN CG C 13 34.208 0.3 A 14 GLN N N 15 116.078 0.25 A 15 ASN H H 1 8.592 0.02 A 15 ASN HA H 1 5.024 0.02 A 15 ASN HBy H 1 2.703 0.02 A 15 ASN HBx H 1 2.5 0.02 A 15 ASN HD2x H 1 6.977 0.02 A 15 ASN HD2y H 1 7.277 0.02 A 15 ASN C C 13 175.048 0.3 A 15 ASN CA C 13 53.281 0.3 A 15 ASN CB C 13 41.052 0.3 A 15 ASN N N 15 118.478 0.25 A 15 ASN ND2 N 15 111.004 0.25 A 16 TYR H H 1 8.449 0.02 A 16 TYR HA H 1 5.075 0.02 A 16 TYR HBy H 1 2.512 0.02 A 16 TYR HBx H 1 2.394 0.02 A 16 TYR HDx H 1 6.651 0.02 A 16 TYR HDy H 1 6.651 0.02 A 16 TYR HEx H 1 6.601 0.02 A 16 TYR HEy H 1 6.601 0.02 A 16 TYR C C 13 174.466 0.3 A 16 TYR CA C 13 57.002 0.3 A 16 TYR CB C 13 43.77 0.3 A 16 TYR CDx C 13 132.787 0.3 A 16 TYR CEx C 13 118.515 0.3 A 16 TYR N N 15 117.324 0.25 A 17 ARG H H 1 9.02 0.02 A 17 ARG HA H 1 4.654 0.02 A 17 ARG HBy H 1 1.864 0.02 A 17 ARG HBx H 1 1.656 0.02 A 17 ARG HDy H 1 3.082 0.02 A 17 ARG HDx H 1 2.989 0.02 A 17 ARG HGx H 1 1.281 0.02 A 17 ARG HGy H 1 1.362 0.02 A 17 ARG C C 13 175.987 0.3 A 17 ARG CA C 13 53.567 0.3 A 17 ARG CB C 13 33.929 0.3 A 17 ARG CD C 13 43.887 0.3 A 17 ARG CG C 13 26.142 0.3 A 17 ARG N N 15 114.446 0.25 A 18 TRP H H 1 8.198 0.02 A 18 TRP HA H 1 5.045 0.02 A 18 TRP HBx H 1 2.999 0.02 A 18 TRP HBy H 1 3.135 0.02 A 18 TRP HD1 H 1 7.34 0.02 A 18 TRP HE1 H 1 10.371 0.02 A 18 TRP HE3 H 1 7.758 0.02 A 18 TRP HH2 H 1 7.105 0.02 A 18 TRP HZ2 H 1 7.343 0.02 A 18 TRP C C 13 179.085 0.3 A 18 TRP CA C 13 56.36 0.3 A 18 TRP CB C 13 30.046 0.3 A 18 TRP CD1 C 13 129.054 0.3 A 18 TRP CE3 C 13 121.735 0.3 A 18 TRP CZ2 C 13 115.435 0.3 A 18 TRP N N 15 118.945 0.25 A 18 TRP NE1 N 15 129.562 0.25 A 19 SER H H 1 8.843 0.02 A 19 SER HA H 1 4.182 0.02 A 19 SER HBy H 1 3.847 0.02 A 19 SER HBx H 1 3.401 0.02 A 19 SER C C 13 175.922 0.3 A 19 SER CA C 13 59.252 0.3 A 19 SER CB C 13 63.755 0.3 A 19 SER N N 15 120.682 0.25 A 20 ALA H H 1 8.816 0.02 A 20 ALA HA H 1 4.092 0.02 A 20 ALA HB% H 1 1.323 0.02 A 20 ALA C C 13 179.547 0.3 A 20 ALA CA C 13 54.024 0.3 A 20 ALA CB C 13 18.023 0.3 A 20 ALA N N 15 128.629 0.25 A 21 GLY H H 1 8.494 0.02 A 21 GLY HAy H 1 3.806 0.02 A 21 GLY HAx H 1 3.46 0.02 A 21 GLY C C 13 175.482 0.3 A 21 GLY CA C 13 45.1 0.3 A 21 GLY N N 15 109.991 0.25 A 22 PHE H H 1 8.142 0.02 A 22 PHE HA H 1 4.653 0.02 A 22 PHE HBy H 1 3.496 0.02 A 22 PHE HBx H 1 2.477 0.02 A 22 PHE HDx H 1 7.021 0.02 A 22 PHE HDy H 1 7.021 0.02 A 22 PHE HEx H 1 7.235 0.02 A 22 PHE HEy H 1 7.235 0.02 A 22 PHE C C 13 176.574 0.3 A 22 PHE CA C 13 56.981 0.3 A 22 PHE CB C 13 40.393 0.3 A 22 PHE CDx C 13 132.482 0.3 A 22 PHE N N 15 117.788 0.25 A 23 ALA H H 1 8.118 0.02 A 23 ALA HA H 1 3.306 0.02 A 23 ALA HB% H 1 0.852 0.02 A 23 ALA C C 13 179.076 0.3 A 23 ALA CA C 13 54.019 0.3 A 23 ALA CB C 13 16.841 0.3 A 23 ALA N N 15 123.76 0.25 A 24 GLY HAy H 1 3.766 0.02 A 24 GLY HAx H 1 2.481 0.02 A 24 GLY C C 13 174.561 0.3 A 24 GLY CA C 13 45.548 0.3 A 25 SER H H 1 8.107 0.02 A 25 SER HA H 1 4.75 0.02 A 25 SER HBx H 1 3.683 0.02 A 25 SER HBy H 1 3.835 0.02 A 25 SER C C 13 174.323 0.3 A 25 SER CA C 13 59.063 0.3 A 25 SER CB C 13 65.772 0.3 A 25 SER N N 15 112.185 0.25 A 26 LYS H H 1 8.131 0.02 A 26 LYS HA H 1 4.738 0.02 A 26 LYS HBy H 1 1.673 0.02 A 26 LYS HBx H 1 1.536 0.02 A 26 LYS HDy H 1 1.209 0.02 A 26 LYS HDx H 1 1 0.02 A 26 LYS HEy H 1 2.462 0.02 A 26 LYS HGx H 1 1.236 0.02 A 26 LYS HGy H 1 1.299 0.02 A 26 LYS C C 13 175.828 0.3 A 26 LYS CA C 13 56.673 0.3 A 26 LYS CB C 13 36.223 0.3 A 26 LYS CD C 13 29.201 0.3 A 26 LYS CE C 13 41.835 0.3 A 26 LYS CG C 13 24.746 0.3 A 26 LYS N N 15 120.756 0.25 A 27 VAL H H 1 8.216 0.02 A 27 VAL HA H 1 5.073 0.02 A 27 VAL HB H 1 1.468 0.02 A 27 VAL HGx% H 1 -0.412 0.02 A 27 VAL HGy% H 1 0.136 0.02 A 27 VAL C C 13 176.189 0.3 A 27 VAL CA C 13 58.755 0.3 A 27 VAL CB C 13 35.929 0.3 A 27 VAL CGy C 13 21.795 0.3 A 27 VAL CGx C 13 18.144 0.3 A 27 VAL N N 15 115.53 0.25 A 28 GLU H H 1 8.949 0.02 A 28 GLU HA H 1 4.996 0.02 A 28 GLU HBx H 1 1.928 0.02 A 28 GLU HGx H 1 1.928 0.02 A 28 GLU C C 13 173.337 0.3 A 28 GLU CA C 13 52.412 0.3 A 28 GLU CB C 13 31.187 0.3 A 28 GLU CG C 13 34.785 0.3 A 28 GLU N N 15 116.399 0.25 A 29 PRO HA H 1 3.953 0.02 A 29 PRO HBx H 1 1.492 0.02 A 29 PRO HBy H 1 1.548 0.02 A 29 PRO HDy H 1 3.748 0.02 A 29 PRO HDx H 1 3.647 0.02 A 29 PRO HGy H 1 1.914 0.02 A 29 PRO HGx H 1 1.805 0.02 A 29 PRO C C 13 175.606 0.3 A 29 PRO CA C 13 61.954 0.3 A 29 PRO CB C 13 31.418 0.3 A 29 PRO CD C 13 50.355 0.3 A 29 PRO CG C 13 27.242 0.3 A 30 ILE H H 1 8.041 0.02 A 30 ILE HA H 1 4.069 0.02 A 30 ILE HB H 1 1.445 0.02 A 30 ILE HD1% H 1 0.753 0.02 A 30 ILE HG1x H 1 0.658 0.02 A 30 ILE HG1y H 1 1.249 0.02 A 30 ILE HG2% H 1 0.815 0.02 A 30 ILE C C 13 173.709 0.3 A 30 ILE CA C 13 59.236 0.3 A 30 ILE CB C 13 38.792 0.3 A 30 ILE CD1 C 13 14.352 0.3 A 30 ILE CG1 C 13 28.025 0.3 A 30 ILE CG2 C 13 16.597 0.3 A 30 ILE N N 15 121.959 0.25 A 31 PRO HA H 1 4.269 0.02 A 31 PRO HBx H 1 1.787 0.02 A 31 PRO HBy H 1 2.235 0.02 A 31 PRO HDy H 1 3.771 0.02 A 31 PRO HDx H 1 3.534 0.02 A 31 PRO HGx H 1 1.923 0.02 A 31 PRO HGy H 1 1.923 0.02 A 31 PRO C C 13 177.757 0.3 A 31 PRO CA C 13 63.065 0.3 A 31 PRO CB C 13 32.104 0.3 A 31 PRO CD C 13 50.773 0.3 A 31 PRO CG C 13 27.257 0.3 A 32 GLN H H 1 8.528 0.02 A 32 GLN HA H 1 4.02 0.02 A 32 GLN HBx H 1 1.943 0.02 A 32 GLN HBy H 1 1.943 0.02 A 32 GLN HGx H 1 2.3 0.02 A 32 GLN HGy H 1 2.3 0.02 A 32 GLN C C 13 177.309 0.3 A 32 GLN CA C 13 57.351 0.3 A 32 GLN CB C 13 28.678 0.3 A 32 GLN CG C 13 33.952 0.3 A 32 GLN N N 15 120.306 0.25 A 33 ASN H H 1 8.467 0.02 A 33 ASN HA H 1 4.539 0.02 A 33 ASN HBx H 1 2.816 0.02 A 33 ASN HBy H 1 2.852 0.02 A 33 ASN HD2x H 1 6.819 0.02 A 33 ASN HD2y H 1 7.51 0.02 A 33 ASN C C 13 175.934 0.3 A 33 ASN CA C 13 53.557 0.3 A 33 ASN CB C 13 37.782 0.3 A 33 ASN N N 15 115.984 0.25 A 33 ASN ND2 N 15 111.704 0.25 A 34 GLY H H 1 7.98 0.02 A 34 GLY HAy H 1 4.18 0.02 A 34 GLY HAx H 1 3.591 0.02 A 34 GLY C C 13 172.283 0.3 A 34 GLY CA C 13 44.378 0.3 A 34 GLY N N 15 107.598 0.25 A 35 PRO HA H 1 4.364 0.02 A 35 PRO HBx H 1 1.842 0.02 A 35 PRO HBy H 1 2.162 0.02 A 35 PRO HDx H 1 3.515 0.02 A 35 PRO HDy H 1 3.515 0.02 A 35 PRO HGx H 1 1.939 0.02 A 35 PRO HGy H 1 1.939 0.02 A 35 PRO C C 13 177.948 0.3 A 35 PRO CA C 13 62.92 0.3 A 35 PRO CB C 13 31.901 0.3 A 35 PRO CD C 13 49.621 0.3 A 35 PRO CG C 13 27.3 0.3 A 36 CYS H H 1 8.52 0.02 A 36 CYS HA H 1 4.415 0.02 A 36 CYS HBx H 1 2.808 0.02 A 36 CYS HBy H 1 2.808 0.02 A 36 CYS C C 13 175.928 0.3 A 36 CYS CA C 13 58.668 0.3 A 36 CYS CB C 13 28.054 0.3 A 36 CYS N N 15 119.728 0.25 A 37 GLY H H 1 8.331 0.02 A 37 GLY HAx H 1 3.891 0.02 A 37 GLY HAy H 1 4.045 0.02 A 37 GLY C C 13 175.357 0.3 A 37 GLY CA C 13 44.974 0.3 A 37 GLY N N 15 109.72 0.25 A 38 ASP H H 1 8.453 0.02 A 38 ASP HA H 1 4.493 0.02 A 38 ASP HBx H 1 2.543 0.02 A 38 ASP HBy H 1 2.667 0.02 A 38 ASP C C 13 177.262 0.3 A 38 ASP CA C 13 55.342 0.3 A 38 ASP CB C 13 41.025 0.3 A 38 ASP N N 15 119.755 0.25 A 39 ASN H H 1 8.403 0.02 A 39 ASN HA H 1 4.915 0.02 A 39 ASN HBx H 1 2.837 0.02 A 39 ASN HBy H 1 2.883 0.02 A 39 ASN C C 13 175.836 0.3 A 39 ASN CA C 13 52.93 0.3 A 39 ASN CB C 13 38.304 0.3 A 39 ASN N N 15 116.072 0.25 A 40 SER H H 1 7.849 0.02 A 40 SER HA H 1 4.654 0.02 A 40 SER HBy H 1 3.972 0.02 A 40 SER HBx H 1 3.873 0.02 A 40 SER C C 13 173.697 0.3 A 40 SER CA C 13 58.72 0.3 A 40 SER CB C 13 64.724 0.3 A 40 SER N N 15 114.51 0.25 A 41 LEU H H 1 9.185 0.02 A 41 LEU HA H 1 5.11 0.02 A 41 LEU HBx H 1 1.158 0.02 A 41 LEU HBy H 1 1.22 0.02 A 41 LEU HDx% H 1 -0.848 0.02 A 41 LEU HDy% H 1 0.38 0.02 A 41 LEU HG H 1 1.097 0.02 A 41 LEU C C 13 174.406 0.3 A 41 LEU CA C 13 53.406 0.3 A 41 LEU CB C 13 46.423 0.3 A 41 LEU CDy C 13 24.147 0.3 A 41 LEU CDx C 13 22.34 0.3 A 41 LEU CG C 13 26.626 0.3 A 41 LEU N N 15 119.154 0.25 A 42 VAL H H 1 9.234 0.02 A 42 VAL HA H 1 4.385 0.02 A 42 VAL HB H 1 1.604 0.02 A 42 VAL HGx% H 1 0.707 0.02 A 42 VAL HGy% H 1 0.629 0.02 A 42 VAL C C 13 173.706 0.3 A 42 VAL CA C 13 60.188 0.3 A 42 VAL CB C 13 34.311 0.3 A 42 VAL CGy C 13 21.179 0.3 A 42 VAL CGx C 13 20.924 0.3 A 42 VAL N N 15 121.312 0.25 A 43 ALA H H 1 9.477 0.02 A 43 ALA HA H 1 4.232 0.02 A 43 ALA HB% H 1 0.497 0.02 A 43 ALA C C 13 176.711 0.3 A 43 ALA CA C 13 49.46 0.3 A 43 ALA CB C 13 23.015 0.3 A 43 ALA N N 15 127.249 0.25 A 44 LEU H H 1 8.594 0.02 A 44 LEU HA H 1 4.748 0.02 A 44 LEU HBx H 1 0.771 0.02 A 44 LEU HBy H 1 1.529 0.02 A 44 LEU HDx% H 1 0.751 0.02 A 44 LEU HDy% H 1 0.471 0.02 A 44 LEU HG H 1 1.309 0.02 A 44 LEU CA C 13 53.007 0.3 A 44 LEU CB C 13 43.031 0.3 A 44 LEU CDy C 13 23.805 0.3 A 44 LEU CDx C 13 23.579 0.3 A 44 LEU CG C 13 27.157 0.3 A 44 LEU N N 15 120.699 0.25 A 47 LEU H H 1 8.937 0.02 A 47 LEU HA H 1 4.295 0.02 A 47 LEU HBx H 1 1.195 0.02 A 47 LEU HBy H 1 1.338 0.02 A 47 LEU HDx% H 1 0.515 0.02 A 47 LEU HDy% H 1 0.718 0.02 A 47 LEU HG H 1 1.301 0.02 A 47 LEU C C 13 178.318 0.3 A 47 LEU CA C 13 55.081 0.3 A 47 LEU CB C 13 42.948 0.3 A 47 LEU CDx C 13 22.806 0.3 A 47 LEU CDy C 13 25.591 0.3 A 47 LEU CG C 13 27.033 0.3 A 47 LEU N N 15 124.266 0.25 A 48 SER H H 1 7.363 0.02 A 48 SER HA H 1 4.35 0.02 A 48 SER HBx H 1 3.449 0.02 A 48 SER HBy H 1 3.604 0.02 A 48 SER C C 13 176.617 0.3 A 48 SER CA C 13 55.397 0.3 A 48 SER CB C 13 64.765 0.3 A 48 SER N N 15 111.805 0.25 A 49 PRO HA H 1 4.775 0.02 A 49 PRO HBx H 1 2.127 0.02 A 49 PRO HBy H 1 2.336 0.02 A 49 PRO HDx H 1 3.539 0.02 A 49 PRO HGx H 1 1.823 0.02 A 49 PRO C C 13 176.664 0.3 A 49 PRO CA C 13 62.774 0.3 A 49 PRO CB C 13 34.375 0.3 A 49 PRO CD C 13 49.859 0.3 A 49 PRO CG C 13 24.831 0.3 A 50 ASP H H 1 7.989 0.02 A 50 ASP HA H 1 4.675 0.02 A 50 ASP HBx H 1 2.586 0.02 A 50 ASP HBy H 1 2.877 0.02 A 50 ASP C C 13 177.698 0.3 A 50 ASP CA C 13 52.212 0.3 A 50 ASP CB C 13 42.839 0.3 A 50 ASP N N 15 115.592 0.25 A 51 GLY H H 1 8.414 0.02 A 51 GLY HAx H 1 3.968 0.02 A 51 GLY HAy H 1 3.968 0.02 A 51 GLY C C 13 177.235 0.3 A 51 GLY CA C 13 46.095 0.3 A 51 GLY N N 15 105.986 0.25 A 52 ASP H H 1 8.82 0.02 A 52 ASP HA H 1 4.524 0.02 A 52 ASP HBx H 1 2.615 0.02 A 52 ASP HBy H 1 2.72 0.02 A 52 ASP C C 13 179.29 0.3 A 52 ASP CA C 13 57.331 0.3 A 52 ASP CB C 13 40.689 0.3 A 52 ASP N N 15 122.618 0.25 A 53 ASN H H 1 8.546 0.02 A 53 ASN HA H 1 4.682 0.02 A 53 ASN HBx H 1 2.709 0.02 A 53 ASN HBy H 1 2.855 0.02 A 53 ASN HD2y H 1 7.59 0.02 A 53 ASN HD2x H 1 6.907 0.02 A 53 ASN C C 13 177.104 0.3 A 53 ASN CA C 13 54.381 0.3 A 53 ASN CB C 13 38.277 0.3 A 53 ASN N N 15 115.607 0.25 A 53 ASN ND2 N 15 111.523 0.25 A 54 ALA H H 1 7.483 0.02 A 54 ALA HA H 1 3.59 0.02 A 54 ALA HB% H 1 1.194 0.02 A 54 ALA C C 13 179.743 0.3 A 54 ALA CA C 13 55.191 0.3 A 54 ALA CB C 13 18.933 0.3 A 54 ALA N N 15 121.518 0.25 A 55 TRP H H 1 7.52 0.02 A 55 TRP HA H 1 3.638 0.02 A 55 TRP HBy H 1 3.203 0.02 A 55 TRP HBx H 1 3.182 0.02 A 55 TRP HD1 H 1 7.456 0.02 A 55 TRP HE1 H 1 10.306 0.02 A 55 TRP HE3 H 1 7.315 0.02 A 55 TRP HH2 H 1 6.833 0.02 A 55 TRP HZ2 H 1 7.188 0.02 A 55 TRP HZ3 H 1 6.848 0.02 A 55 TRP C C 13 178.436 0.3 A 55 TRP CA C 13 61.283 0.3 A 55 TRP CB C 13 27.939 0.3 A 55 TRP CD1 C 13 127.392 0.3 A 55 TRP CE3 C 13 120.446 0.3 A 55 TRP CH2 C 13 124.052 0.3 A 55 TRP CZ2 C 13 114.129 0.3 A 55 TRP CZ3 C 13 122.39 0.3 A 55 TRP N N 15 115.484 0.25 A 55 TRP NE1 N 15 129.044 0.25 A 56 SER H H 1 7.791 0.02 A 56 SER HA H 1 4.249 0.02 A 56 SER HBx H 1 3.947 0.02 A 56 SER HBy H 1 3.981 0.02 A 56 SER C C 13 178.845 0.3 A 56 SER CA C 13 61.339 0.3 A 56 SER CB C 13 62.623 0.3 A 56 SER N N 15 112.525 0.25 A 57 VAL H H 1 7.842 0.02 A 57 VAL HA H 1 3.524 0.02 A 57 VAL HB H 1 1.972 0.02 A 57 VAL HGx% H 1 0.769 0.02 A 57 VAL HGy% H 1 0.929 0.02 A 57 VAL C C 13 178.925 0.3 A 57 VAL CA C 13 66.702 0.3 A 57 VAL CB C 13 31.626 0.3 A 57 VAL CGx C 13 21.16 0.3 A 57 VAL CGy C 13 22.628 0.3 A 57 VAL N N 15 120.834 0.25 A 58 MET H H 1 8.067 0.02 A 58 MET HA H 1 4.005 0.02 A 58 MET HBx H 1 1.533 0.02 A 58 MET HBy H 1 1.586 0.02 A 58 MET HE% H 1 1.709 0.02 A 58 MET HGy H 1 1.953 0.02 A 58 MET HGx H 1 1.618 0.02 A 58 MET C C 13 179.995 0.3 A 58 MET CA C 13 58.064 0.3 A 58 MET CB C 13 31.708 0.3 A 58 MET CE C 13 18.779 0.3 A 58 MET CG C 13 31.992 0.3 A 58 MET N N 15 116.902 0.25 A 59 TYR H H 1 8.488 0.02 A 59 TYR HA H 1 4.413 0.02 A 59 TYR HBy H 1 3.12 0.02 A 59 TYR HBx H 1 3.02 0.02 A 59 TYR HDx H 1 7.189 0.02 A 59 TYR HDy H 1 7.189 0.02 A 59 TYR HEx H 1 6.87 0.02 A 59 TYR HEy H 1 6.87 0.02 A 59 TYR C C 13 180.578 0.3 A 59 TYR CA C 13 61.384 0.3 A 59 TYR CB C 13 37.123 0.3 A 59 TYR CDx C 13 132.955 0.3 A 59 TYR CEx C 13 117.883 0.3 A 59 TYR N N 15 117.599 0.25 A 60 LYS H H 1 7.769 0.02 A 60 LYS HA H 1 4.061 0.02 A 60 LYS HBx H 1 1.905 0.02 A 60 LYS HBy H 1 2.056 0.02 A 60 LYS HDx H 1 1.664 0.02 A 60 LYS HEx H 1 2.925 0.02 A 60 LYS HGy H 1 1.637 0.02 A 60 LYS HGx H 1 1.428 0.02 A 60 LYS C C 13 180.766 0.3 A 60 LYS CA C 13 59.324 0.3 A 60 LYS CB C 13 31.973 0.3 A 60 LYS CD C 13 29.16 0.3 A 60 LYS CE C 13 42.125 0.3 A 60 LYS CG C 13 25.216 0.3 A 60 LYS N N 15 121.017 0.25 A 61 LEU H H 1 8.248 0.02 A 61 LEU HA H 1 3.687 0.02 A 61 LEU HBy H 1 1.917 0.02 A 61 LEU HBx H 1 1.052 0.02 A 61 LEU HDx% H 1 0.657 0.02 A 61 LEU HDy% H 1 0.565 0.02 A 61 LEU HG H 1 1.897 0.02 A 61 LEU C C 13 179.35 0.3 A 61 LEU CA C 13 57.55 0.3 A 61 LEU CB C 13 40.328 0.3 A 61 LEU CDy C 13 25.12 0.3 A 61 LEU CDx C 13 22.18 0.3 A 61 LEU CG C 13 26.641 0.3 A 61 LEU N N 15 119.376 0.25 A 62 SER H H 1 8.371 0.02 A 62 SER HA H 1 4.14 0.02 A 62 SER HBy H 1 3.887 0.02 A 62 SER HBx H 1 3.797 0.02 A 62 SER C C 13 178.583 0.3 A 62 SER CA C 13 61.005 0.3 A 62 SER CB C 13 62.681 0.3 A 62 SER N N 15 112.997 0.25 A 63 GLN H H 1 7.696 0.02 A 63 GLN HA H 1 3.927 0.02 A 63 GLN HBy H 1 2.104 0.02 A 63 GLN HBx H 1 2.068 0.02 A 63 GLN HGx H 1 2.249 0.02 A 63 GLN HGy H 1 2.283 0.02 A 63 GLN C C 13 178.351 0.3 A 63 GLN CA C 13 58.189 0.3 A 63 GLN CB C 13 28.246 0.3 A 63 GLN CG C 13 33.925 0.3 A 63 GLN N N 15 121.719 0.25 A 64 ALA H H 1 7.468 0.02 A 64 ALA HA H 1 4.079 0.02 A 64 ALA HB% H 1 0.804 0.02 A 64 ALA C C 13 181.846 0.3 A 64 ALA CA C 13 54.503 0.3 A 64 ALA CB C 13 16.485 0.3 A 64 ALA N N 15 120.369 0.25 A 65 LEU H H 1 7.475 0.02 A 65 LEU HA H 1 4.057 0.02 A 65 LEU HBx H 1 1.514 0.02 A 65 LEU HBy H 1 2.066 0.02 A 65 LEU HDx% H 1 0.665 0.02 A 65 LEU HDy% H 1 0.712 0.02 A 65 LEU HG H 1 1.719 0.02 A 65 LEU C C 13 180.017 0.3 A 65 LEU CA C 13 57.019 0.3 A 65 LEU CB C 13 39.706 0.3 A 65 LEU CDx C 13 23.678 0.3 A 65 LEU CDy C 13 25.9 0.3 A 65 LEU CG C 13 26.731 0.3 A 65 LEU N N 15 116.457 0.25 A 66 SER H H 1 8.398 0.02 A 66 SER HA H 1 4.085 0.02 A 66 SER HBx H 1 3.947 0.02 A 66 SER HBy H 1 3.975 0.02 A 66 SER C C 13 179.803 0.3 A 66 SER CA C 13 61.749 0.3 A 66 SER CB C 13 62.379 0.3 A 66 SER N N 15 117.915 0.25 A 67 ASP H H 1 8.102 0.02 A 67 ASP HA H 1 4.399 0.02 A 67 ASP HBy H 1 2.733 0.02 A 67 ASP HBx H 1 2.643 0.02 A 67 ASP C C 13 178.72 0.3 A 67 ASP CA C 13 57.101 0.3 A 67 ASP CB C 13 41.19 0.3 A 67 ASP N N 15 120.03 0.25 A 68 ILE H H 1 7.091 0.02 A 68 ILE HA H 1 4.63 0.02 A 68 ILE HB H 1 2.158 0.02 A 68 ILE HD1% H 1 0.767 0.02 A 68 ILE HG1x H 1 1.103 0.02 A 68 ILE HG1y H 1 1.571 0.02 A 68 ILE HG2% H 1 0.818 0.02 A 68 ILE C C 13 175.273 0.3 A 68 ILE CA C 13 60.593 0.3 A 68 ILE CB C 13 37.475 0.3 A 68 ILE CD1 C 13 16.152 0.3 A 68 ILE CG1 C 13 27.781 0.3 A 68 ILE CG2 C 13 17.642 0.3 A 68 ILE N N 15 109.303 0.25 A 69 GLU H H 1 7.83 0.02 A 69 GLU HA H 1 3.737 0.02 A 69 GLU HBy H 1 2.188 0.02 A 69 GLU HBx H 1 2.15 0.02 A 69 GLU HGx H 1 2.056 0.02 A 69 GLU C C 13 176.313 0.3 A 69 GLU CA C 13 57.198 0.3 A 69 GLU CB C 13 26.427 0.3 A 69 GLU CG C 13 36.862 0.3 A 69 GLU N N 15 113.736 0.25 A 70 VAL H H 1 7.634 0.02 A 70 VAL HA H 1 4.371 0.02 A 70 VAL HB H 1 1.784 0.02 A 70 VAL HGx% H 1 0.834 0.02 A 70 VAL HGy% H 1 0.773 0.02 A 70 VAL C C 13 174.479 0.3 A 70 VAL CA C 13 59.582 0.3 A 70 VAL CB C 13 32.836 0.3 A 70 VAL CGx C 13 21.513 0.3 A 70 VAL CGy C 13 21.561 0.3 A 70 VAL N N 15 120.263 0.25 A 71 PRO HA H 1 4.361 0.02 A 71 PRO HBy H 1 2.231 0.02 A 71 PRO HBx H 1 1.936 0.02 A 71 PRO HDx H 1 3.775 0.02 A 71 PRO HDy H 1 3.957 0.02 A 71 PRO HGx H 1 1.905 0.02 A 71 PRO HGy H 1 2.105 0.02 A 71 PRO C C 13 177.033 0.3 A 71 PRO CA C 13 62.571 0.3 A 71 PRO CB C 13 32.121 0.3 A 71 PRO CD C 13 51.285 0.3 A 71 PRO CG C 13 27.301 0.3 A 72 CYS H H 1 8.005 0.02 A 72 CYS HA H 1 5.365 0.02 A 72 CYS HBy H 1 2.97 0.02 A 72 CYS HBx H 1 2.509 0.02 A 72 CYS C C 13 174.407 0.3 A 72 CYS CA C 13 56.459 0.3 A 72 CYS CB C 13 30.939 0.3 A 72 CYS N N 15 114.885 0.25 A 73 SER H H 1 8.247 0.02 A 73 SER HA H 1 5.008 0.02 A 73 SER HBx H 1 3.619 0.02 A 73 SER HBy H 1 3.951 0.02 A 73 SER C C 13 173.219 0.3 A 73 SER CA C 13 57.797 0.3 A 73 SER CB C 13 66.48 0.3 A 73 SER N N 15 115.108 0.25 A 74 VAL H H 1 8.795 0.02 A 74 VAL HA H 1 5.048 0.02 A 74 VAL HB H 1 2.058 0.02 A 74 VAL HGx% H 1 0.765 0.02 A 74 VAL HGy% H 1 0.637 0.02 A 74 VAL C C 13 176.369 0.3 A 74 VAL CA C 13 61.416 0.3 A 74 VAL CB C 13 32.327 0.3 A 74 VAL CGy C 13 21.707 0.3 A 74 VAL CGx C 13 21.67 0.3 A 74 VAL N N 15 124.902 0.25 A 75 LEU H H 1 8.855 0.02 A 75 LEU HA H 1 4.928 0.02 A 75 LEU HBy H 1 1.669 0.02 A 75 LEU HBx H 1 1.594 0.02 A 75 LEU HDx% H 1 0.964 0.02 A 75 LEU HDy% H 1 0.584 0.02 A 75 LEU HG H 1 1.537 0.02 A 75 LEU C C 13 176.385 0.3 A 75 LEU CA C 13 53.361 0.3 A 75 LEU CB C 13 46.349 0.3 A 75 LEU CDx C 13 24.503 0.3 A 75 LEU CDy C 13 25.726 0.3 A 75 LEU CG C 13 27.389 0.3 A 75 LEU N N 15 125.772 0.25 A 76 GLU H H 1 8.704 0.02 A 76 GLU HA H 1 4.359 0.02 A 76 GLU HBx H 1 2.05 0.02 A 76 GLU HGx H 1 2.062 0.02 A 76 GLU C C 13 176.897 0.3 A 76 GLU CA C 13 57.066 0.3 A 76 GLU CB C 13 30.584 0.3 A 76 GLU CG C 13 36.878 0.3 A 76 GLU N N 15 120.536 0.25 A 77 CYS H H 1 9.115 0.02 A 77 CYS HA H 1 4.424 0.02 A 77 CYS HBy H 1 2.733 0.02 A 77 CYS HBx H 1 2.543 0.02 A 77 CYS C C 13 174.989 0.3 A 77 CYS CA C 13 58.719 0.3 A 77 CYS CB C 13 28.486 0.3 A 77 CYS N N 15 126.264 0.25 A 78 GLU H H 1 9.428 0.02 A 78 GLU HA H 1 3.818 0.02 A 78 GLU HBx H 1 1.983 0.02 A 78 GLU HBy H 1 2.112 0.02 A 78 GLU HGy H 1 2.357 0.02 A 78 GLU HGx H 1 2.212 0.02 A 78 GLU C C 13 177.867 0.3 A 78 GLU CA C 13 57.033 0.3 A 78 GLU CB C 13 26.844 0.3 A 78 GLU CG C 13 36.318 0.3 A 78 GLU N N 15 125.686 0.25 A 79 GLY H H 1 8.7 0.02 A 79 GLY HAy H 1 4.142 0.02 A 79 GLY HAx H 1 3.654 0.02 A 79 GLY C C 13 174.905 0.3 A 79 GLY CA C 13 45.486 0.3 A 79 GLY N N 15 102.506 0.25 A 80 GLU H H 1 7.448 0.02 A 80 GLU HA H 1 4.855 0.02 A 80 GLU HBx H 1 1.47 0.02 A 80 GLU HGy H 1 2.163 0.02 A 80 GLU C C 13 173.479 0.3 A 80 GLU CA C 13 52.841 0.3 A 80 GLU CB C 13 31.827 0.3 A 80 GLU CG C 13 36.084 0.3 A 80 GLU N N 15 118.011 0.25 A 83 LEU HA H 1 4.744 0.02 A 83 LEU HBx H 1 1.339 0.02 A 83 LEU HBy H 1 1.437 0.02 A 83 LEU HDx% H 1 0.595 0.02 A 83 LEU HDy% H 1 0.47 0.02 A 83 LEU HG H 1 1.297 0.02 A 83 LEU C C 13 175.963 0.3 A 83 LEU CA C 13 53.182 0.3 A 83 LEU CB C 13 44.817 0.3 A 83 LEU CDy C 13 25.798 0.3 A 83 LEU CDx C 13 25.081 0.3 A 83 LEU CG C 13 26.883 0.3 A 84 PHE H H 1 9.04 0.02 A 84 PHE HA H 1 5.311 0.02 A 84 PHE HBy H 1 2.584 0.02 A 84 PHE HBx H 1 2.329 0.02 A 84 PHE HDx H 1 6.557 0.02 A 84 PHE HDy H 1 6.557 0.02 A 84 PHE HEx H 1 6.268 0.02 A 84 PHE HEy H 1 6.268 0.02 A 84 PHE HZ H 1 6.55 0.02 A 84 PHE C C 13 177.342 0.3 A 84 PHE CA C 13 56.927 0.3 A 84 PHE CB C 13 41.344 0.3 A 84 PHE CDx C 13 130.971 0.3 A 84 PHE CEx C 13 128.735 0.3 A 84 PHE N N 15 121.264 0.25 A 85 VAL H H 1 8.53 0.02 A 85 VAL HA H 1 4.604 0.02 A 85 VAL HB H 1 2.096 0.02 A 85 VAL HGx% H 1 0.448 0.02 A 85 VAL HGy% H 1 0.698 0.02 A 85 VAL C C 13 175.523 0.3 A 85 VAL CA C 13 58.339 0.3 A 85 VAL CB C 13 35.282 0.3 A 85 VAL CGx C 13 18.289 0.3 A 85 VAL CGy C 13 21.583 0.3 A 85 VAL N N 15 114.392 0.25 A 86 ASN H H 1 10.092 0.02 A 86 ASN HA H 1 4.7 0.02 A 86 ASN HBy H 1 2.861 0.02 A 86 ASN HBx H 1 2.742 0.02 A 86 ASN HD2y H 1 7.739 0.02 A 86 ASN HD2x H 1 7.09 0.02 A 86 ASN C C 13 179.1 0.3 A 86 ASN CA C 13 54.326 0.3 A 86 ASN CB C 13 38.25 0.3 A 86 ASN N N 15 122.283 0.25 A 86 ASN ND2 N 15 112.093 0.25 A 87 ARG H H 1 8.877 0.02 A 87 ARG HA H 1 3.808 0.02 A 87 ARG HBx H 1 1.746 0.02 A 87 ARG HDx H 1 3.021 0.02 A 87 ARG HDy H 1 3.074 0.02 A 87 ARG HGx H 1 1.555 0.02 A 87 ARG C C 13 180.146 0.3 A 87 ARG CA C 13 60.166 0.3 A 87 ARG CB C 13 29.621 0.3 A 87 ARG CD C 13 43.374 0.3 A 87 ARG CG C 13 27.168 0.3 A 87 ARG N N 15 123.714 0.25 A 88 GLN H H 1 9.192 0.02 A 88 GLN HA H 1 4.188 0.02 A 88 GLN HBy H 1 2.06 0.02 A 88 GLN HBx H 1 2.04 0.02 A 88 GLN HE2y H 1 7.644 0.02 A 88 GLN HE2x H 1 6.909 0.02 A 88 GLN HGy H 1 2.439 0.02 A 88 GLN HGx H 1 2.339 0.02 A 88 GLN C C 13 177.544 0.3 A 88 GLN CA C 13 58.174 0.3 A 88 GLN CB C 13 28.054 0.3 A 88 GLN CG C 13 33.396 0.3 A 88 GLN N N 15 116.109 0.25 A 88 GLN NE2 N 15 111.413 0.25 A 89 ASP H H 1 7.906 0.02 A 89 ASP HA H 1 5.075 0.02 A 89 ASP HBy H 1 2.996 0.02 A 89 ASP HBx H 1 2.685 0.02 A 89 ASP C C 13 176.7 0.3 A 89 ASP CA C 13 54.139 0.3 A 89 ASP CB C 13 42.619 0.3 A 89 ASP N N 15 116.885 0.25 A 90 GLU H H 1 7.531 0.02 A 90 GLU HA H 1 3.444 0.02 A 90 GLU HBx H 1 1.956 0.02 A 90 GLU HBy H 1 1.975 0.02 A 90 GLU HGx H 1 2.093 0.02 A 90 GLU C C 13 179.041 0.3 A 90 GLU CA C 13 61.21 0.3 A 90 GLU CB C 13 29.499 0.3 A 90 GLU CG C 13 35.858 0.3 A 90 GLU N N 15 120.436 0.25 A 91 PHE H H 1 8.916 0.02 A 91 PHE HA H 1 4.245 0.02 A 91 PHE HBy H 1 3.13 0.02 A 91 PHE HBx H 1 3.046 0.02 A 91 PHE HDx H 1 7.204 0.02 A 91 PHE HDy H 1 7.204 0.02 A 91 PHE C C 13 178.495 0.3 A 91 PHE CA C 13 61.787 0.3 A 91 PHE CB C 13 38.03 0.3 A 91 PHE CDx C 13 132.777 0.3 A 91 PHE N N 15 120.729 0.25 A 92 ALA H H 1 8.592 0.02 A 92 ALA HA H 1 3.845 0.02 A 92 ALA HB% H 1 1.388 0.02 A 92 ALA C C 13 182.203 0.3 A 92 ALA CA C 13 55.068 0.3 A 92 ALA CB C 13 18.134 0.3 A 92 ALA N N 15 122.511 0.25 A 93 ALA H H 1 8.724 0.02 A 93 ALA HA H 1 3.841 0.02 A 93 ALA HB% H 1 1.275 0.02 A 93 ALA C C 13 179.789 0.3 A 93 ALA CA C 13 54.771 0.3 A 93 ALA CB C 13 18.747 0.3 A 93 ALA N N 15 117.304 0.25 A 94 THR H H 1 8.524 0.02 A 94 THR HA H 1 3.51 0.02 A 94 THR HB H 1 4.144 0.02 A 94 THR HG2% H 1 1.125 0.02 A 94 THR C C 13 177.558 0.3 A 94 THR CA C 13 67.179 0.3 A 94 THR CB C 13 68.186 0.3 A 94 THR CG2 C 13 21.298 0.3 A 94 THR N N 15 112.071 0.25 A 95 CYS H H 1 8.009 0.02 A 95 CYS HA H 1 3.8 0.02 A 95 CYS HBx H 1 2.55 0.02 A 95 CYS HBy H 1 2.629 0.02 A 95 CYS C C 13 177.852 0.3 A 95 CYS CA C 13 63.477 0.3 A 95 CYS CB C 13 26.405 0.3 A 95 CYS N N 15 118.435 0.25 A 96 ARG H H 1 7.519 0.02 A 96 ARG HA H 1 4.04 0.02 A 96 ARG HBy H 1 1.951 0.02 A 96 ARG HBx H 1 1.857 0.02 A 96 ARG HDy H 1 3.072 0.02 A 96 ARG HDx H 1 3.003 0.02 A 96 ARG HE H 1 7.136 0.02 A 96 ARG HGx H 1 1.545 0.02 A 96 ARG C C 13 178.899 0.3 A 96 ARG CA C 13 57.334 0.3 A 96 ARG CB C 13 29.511 0.3 A 96 ARG CD C 13 42.929 0.3 A 96 ARG CG C 13 26.764 0.3 A 96 ARG N N 15 118.333 0.25 A 96 ARG NE N 15 83.581 0.25 A 97 LEU H H 1 8.138 0.02 A 97 LEU HA H 1 3.839 0.02 A 97 LEU HBy H 1 1.724 0.02 A 97 LEU HBx H 1 1.113 0.02 A 97 LEU HDx% H 1 0.587 0.02 A 97 LEU HDy% H 1 0.777 0.02 A 97 LEU HG H 1 1.892 0.02 A 97 LEU C C 13 180.388 0.3 A 97 LEU CA C 13 58.04 0.3 A 97 LEU CB C 13 40.091 0.3 A 97 LEU CDy C 13 23.092 0.3 A 97 LEU CDx C 13 21.743 0.3 A 97 LEU CG C 13 26.683 0.3 A 97 LEU N N 15 116.644 0.25 A 98 LYS H H 1 8.065 0.02 A 98 LYS HA H 1 4.361 0.02 A 98 LYS HBx H 1 1.828 0.02 A 98 LYS HDx H 1 1.595 0.02 A 98 LYS HEy H 1 2.874 0.02 A 98 LYS HEx H 1 2.827 0.02 A 98 LYS HGy H 1 1.588 0.02 A 98 LYS HGx H 1 1.419 0.02 A 98 LYS C C 13 181.635 0.3 A 98 LYS CA C 13 59.717 0.3 A 98 LYS CB C 13 32.011 0.3 A 98 LYS CD C 13 29.459 0.3 A 98 LYS CE C 13 41.923 0.3 A 98 LYS CG C 13 25.302 0.3 A 98 LYS N N 15 118.457 0.25 A 99 ASN H H 1 7.815 0.02 A 99 ASN HA H 1 4.45 0.02 A 99 ASN HBx H 1 2.725 0.02 A 99 ASN HBy H 1 2.869 0.02 A 99 ASN HD2y H 1 7.114 0.02 A 99 ASN HD2x H 1 6.833 0.02 A 99 ASN C C 13 176.938 0.3 A 99 ASN CA C 13 55.523 0.3 A 99 ASN CB C 13 38.451 0.3 A 99 ASN N N 15 117.747 0.25 A 99 ASN ND2 N 15 110.906 0.25 A 100 PHE H H 1 7.93 0.02 A 100 PHE HA H 1 4.414 0.02 A 100 PHE HBx H 1 2.888 0.02 A 100 PHE HBy H 1 3.264 0.02 A 100 PHE HDx H 1 7.132 0.02 A 100 PHE HDy H 1 7.132 0.02 A 100 PHE HEx H 1 6.802 0.02 A 100 PHE HEy H 1 6.802 0.02 A 100 PHE C C 13 176.32 0.3 A 100 PHE CA C 13 58.144 0.3 A 100 PHE CB C 13 39.643 0.3 A 100 PHE CDx C 13 131.243 0.3 A 100 PHE N N 15 118.572 0.25 A 101 GLY H H 1 7.745 0.02 A 101 GLY HAy H 1 4.093 0.02 A 101 GLY HAx H 1 3.615 0.02 A 101 GLY C C 13 174.62 0.3 A 101 GLY CA C 13 45.565 0.3 A 101 GLY N N 15 104.907 0.25 A 102 VAL H H 1 7.413 0.02 A 102 VAL HA H 1 3.979 0.02 A 102 VAL HB H 1 1.562 0.02 A 102 VAL HGx% H 1 0.782 0.02 A 102 VAL HGy% H 1 0.619 0.02 A 102 VAL C C 13 175.927 0.3 A 102 VAL CA C 13 61.643 0.3 A 102 VAL CB C 13 32.24 0.3 A 102 VAL CGy C 13 22.56 0.3 A 102 VAL CGx C 13 21.67 0.3 A 102 VAL N N 15 119.933 0.25 A 103 ALA H H 1 8.15 0.02 A 103 ALA HA H 1 4.473 0.02 A 103 ALA HB% H 1 1.293 0.02 A 103 ALA C C 13 176.576 0.3 A 103 ALA CA C 13 50.818 0.3 A 103 ALA CB C 13 20.382 0.3 A 103 ALA N N 15 127.985 0.25 A 104 ILE H H 1 8.247 0.02 A 104 ILE HA H 1 4.611 0.02 A 104 ILE HB H 1 1.736 0.02 A 104 ILE HD1% H 1 0.589 0.02 A 104 ILE HG1y H 1 1.268 0.02 A 104 ILE HG1x H 1 1.06 0.02 A 104 ILE HG2% H 1 0.717 0.02 A 104 ILE C C 13 177.116 0.3 A 104 ILE CA C 13 58.864 0.3 A 104 ILE CB C 13 37.674 0.3 A 104 ILE CD1 C 13 12.27 0.3 A 104 ILE CG1 C 13 27.425 0.3 A 104 ILE CG2 C 13 17.115 0.3 A 104 ILE N N 15 120.674 0.25 A 105 ALA H H 1 8.891 0.02 A 105 ALA HA H 1 4.304 0.02 A 105 ALA HB% H 1 1.112 0.02 A 105 ALA C C 13 177.402 0.3 A 105 ALA CA C 13 51.477 0.3 A 105 ALA CB C 13 19.726 0.3 A 105 ALA N N 15 130.227 0.25 A 106 GLU H H 1 8.292 0.02 A 106 GLU HA H 1 4.482 0.02 A 106 GLU HBx H 1 1.762 0.02 A 106 GLU HBy H 1 1.945 0.02 A 106 GLU HGx H 1 2.206 0.02 A 106 GLU C C 13 175.464 0.3 A 106 GLU CA C 13 53.671 0.3 A 106 GLU CB C 13 29.581 0.3 A 106 GLU CG C 13 35.949 0.3 A 106 GLU N N 15 120.311 0.25 A 107 PRO HA H 1 4.191 0.02 A 107 PRO HBy H 1 1.989 0.02 A 107 PRO HBx H 1 1.612 0.02 A 107 PRO HDx H 1 3.487 0.02 A 107 PRO HDy H 1 3.575 0.02 A 107 PRO HGy H 1 1.941 0.02 A 107 PRO HGx H 1 1.761 0.02 A 107 PRO C C 13 177.627 0.3 A 107 PRO CA C 13 62.933 0.3 A 107 PRO CB C 13 31.837 0.3 A 107 PRO CD C 13 50.153 0.3 A 107 PRO CG C 13 27.199 0.3 A 108 PHE H H 1 8.104 0.02 A 108 PHE HA H 1 4.512 0.02 A 108 PHE HBx H 1 2.981 0.02 A 108 PHE HBy H 1 3.085 0.02 A 108 PHE HDx H 1 7.149 0.02 A 108 PHE HDy H 1 7.149 0.02 A 108 PHE C C 13 176.664 0.3 A 108 PHE CA C 13 57.514 0.3 A 108 PHE CB C 13 38.991 0.3 A 108 PHE CDx C 13 131.515 0.3 A 108 PHE N N 15 118.002 0.25 A 109 SER H H 1 7.994 0.02 A 109 SER HA H 1 4.299 0.02 A 109 SER HBx H 1 3.653 0.02 A 109 SER HBy H 1 3.706 0.02 A 109 SER C C 13 174.823 0.3 A 109 SER CA C 13 58.036 0.3 A 109 SER CB C 13 63.945 0.3 A 109 SER N N 15 115.476 0.25 A 110 ASN H H 1 8.231 0.02 A 110 ASN HA H 1 4.543 0.02 A 110 ASN HBx H 1 2.578 0.02 A 110 ASN HBy H 1 2.663 0.02 A 110 ASN C C 13 175.392 0.3 A 110 ASN CA C 13 53.117 0.3 A 110 ASN CB C 13 38.772 0.3 A 110 ASN N N 15 119.39 0.25 A 111 TYR H H 1 7.953 0.02 A 111 TYR HA H 1 4.412 0.02 A 111 TYR HBx H 1 2.797 0.02 A 111 TYR HBy H 1 2.839 0.02 A 111 TYR HDx H 1 6.95 0.02 A 111 TYR HDy H 1 6.95 0.02 A 111 TYR HEx H 1 6.677 0.02 A 111 TYR HEy H 1 6.677 0.02 A 111 TYR C C 13 175.594 0.3 A 111 TYR CA C 13 57.734 0.3 A 111 TYR CB C 13 38.195 0.3 A 111 TYR CDx C 13 133.123 0.3 A 111 TYR CEx C 13 118.106 0.3 A 111 TYR N N 15 119.52 0.25 A 112 ASN H H 1 8.119 0.02 A 112 ASN HA H 1 4.778 0.02 A 112 ASN HBx H 1 2.45 0.02 A 112 ASN HBy H 1 2.55 0.02 A 112 ASN HD2x H 1 6.712 0.02 A 112 ASN HD2y H 1 7.418 0.02 A 112 ASN C C 13 173.729 0.3 A 112 ASN CA C 13 50.554 0.3 A 112 ASN CB C 13 39.211 0.3 A 112 ASN N N 15 121.602 0.25 A 112 ASN ND2 N 15 111.772 0.25 A 113 PRO HA H 1 4.193 0.02 A 113 PRO HBx H 1 1.708 0.02 A 113 PRO HBy H 1 1.945 0.02 A 113 PRO HDx H 1 3.253 0.02 A 113 PRO HDy H 1 3.408 0.02 A 113 PRO HGy H 1 1.718 0.02 A 113 PRO HGx H 1 1.51 0.02 A 113 PRO C C 13 176.344 0.3 A 113 PRO CA C 13 63.298 0.3 A 113 PRO CB C 13 31.572 0.3 A 113 PRO CD C 13 50.046 0.3 A 113 PRO CG C 13 26.62 0.3 A 114 PHE H H 1 7.366 0.02 A 114 PHE HA H 1 4.308 0.02 A 114 PHE HBx H 1 2.868 0.02 A 114 PHE HBy H 1 3.056 0.02 A 114 PHE HDx H 1 7.129 0.02 A 114 PHE HDy H 1 7.129 0.02 A 114 PHE C C 13 181.097 0.3 A 114 PHE CA C 13 58.833 0.3 A 114 PHE CB C 13 40.091 0.3 A 114 PHE CDx C 13 131.292 0.3 A 114 PHE N N 15 123.045 0.25 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 104 ILE HB A 105 ALA H 1.0 . 5.10 2 2 A 105 ALA H A 104 ILE HG1y 1.0 . 5.23 3 3 A 105 ALA H A 104 ILE HD1% 1.0 . 4.89 4 4 A 18 TRP H A 18 TRP HE1 1.0 . 4.86 5 5 A 18 TRP HE1 A 18 TRP HBy 1.0 . 5.16 6 6 A 18 TRP HE1 A 23 ALA HB% 1.0 . 4.98 7 7 A 18 TRP HE1 A 41 LEU HDy% 1.0 . 4.14 8 8 A 18 TRP HE1 A 41 LEU HDx% 1.0 . 4.79 9 9 A 18 TRP HE1 A 18 TRP HBx 1.0 . 4.92 10 10 A 19 SER HBy A 20 ALA H 1.0 . 4.45 11 11 A 20 ALA H A 19 SER HBx 1.0 . 4.47 12 12 A 102 VAL HB A 103 ALA H 1.0 . 5.50 13 13 A 77 CYS H A 76 GLU HGx 1.0 . 4.28 14 13 A 76 GLU HGy A 77 CYS H 1.0 . 4.28 15 14 A 75 LEU H A 84 PHE H 1.0 . 5.50 16 15 A 75 LEU H A 74 VAL HGx% 1.0 . 5.50 17 16 A 75 LEU H A 75 LEU HDy% 1.0 . 4.79 18 17 A 78 GLU H A 79 GLY HAy 1.0 . 5.46 19 18 A 75 LEU H A 74 VAL HB 1.0 . 5.27 20 19 A 73 SER HBy A 74 VAL H 1.0 . 4.22 21 20 A 74 VAL H A 75 LEU HG 1.0 . 5.50 22 21 A 74 VAL HGx% A 74 VAL H 1.0 . 3.98 23 22 A 74 VAL H A 83 LEU HDx% 1.0 . 4.40 24 23 A 47 LEU H A 47 LEU HDy% 1.0 . 5.50 25 24 A 47 LEU H A 47 LEU HDx% 1.0 . 5.50 26 25 A 20 ALA HA A 23 ALA H 1.0 . 5.03 27 26 A 86 ASN HBy A 87 ARG H 1.0 . 4.61 28 27 A 87 ARG H A 87 ARG HGx 1.0 . 4.36 29 27 A 87 ARG H A 87 ARG HGy 1.0 . 4.36 30 28 A 23 ALA H A 26 LYS HBy 1.0 . 5.36 31 29 A 23 ALA H A 22 PHE HD% 1.0 . 5.49 32 30 A 18 TRP HBy A 23 ALA H 1.0 . 4.95 33 31 A 23 ALA H A 22 PHE HBx 1.0 . 5.03 34 32 A 23 ALA HB% A 23 ALA H 1.0 . 3.07 35 33 A 87 ARG H A 41 LEU HA 1.0 . 4.85 36 34 A 23 ALA H A 22 PHE HBy 1.0 . 4.61 37 35 A 87 ARG H A 88 GLN HA 1.0 . 5.50 38 36 A 4 LEU H A 3 SER HBx 1.0 . 3.76 39 36 A 3 SER HBy A 4 LEU H 1.0 . 3.76 40 37 A 4 LEU H A 5 GLN HGx 1.0 . 5.39 41 37 A 4 LEU H A 5 GLN HGy 1.0 . 5.39 42 38 A 4 LEU H A 4 LEU HG 1.0 . 3.18 43 39 A 4 LEU H A 4 LEU HDy% 1.0 . 4.10 44 40 A 113 PRO HDy A 114 PHE H 1.0 . 3.91 45 41 A 114 PHE H A 113 PRO HDx 1.0 . 4.19 46 42 A 114 PHE H A 114 PHE HBx 1.0 . 2.92 47 43 A 114 PHE H A 113 PRO HBy 1.0 . 4.24 48 44 A 114 PHE H A 113 PRO HGy 1.0 . 3.52 49 45 A 114 PHE H A 112 ASN HA 1.0 . 3.98 50 46 A 52 ASP H A 55 TRP HD1 1.0 . 5.50 51 47 A 52 ASP H A 53 ASN H 1.0 . 5.28 52 48 A 89 ASP HA A 92 ALA H 1.0 . 4.26 53 49 A 8 ILE H A 8 ILE HD1% 1.0 . 4.15 54 50 A 71 PRO HGx A 86 ASN H 1.0 . 5.50 55 51 A 86 ASN H A 72 CYS HA 1.0 . 5.32 56 52 A 41 LEU HA A 86 ASN H 1.0 . 5.34 57 53 A 92 ALA H A 90 GLU HA 1.0 . 5.40 58 54 A 29 PRO HGy A 30 ILE H 1.0 . 5.50 59 55 A 30 ILE H A 30 ILE HG1y 1.0 . 5.03 60 56 A 30 ILE H A 30 ILE HG2% 1.0 . 4.95 61 57 A 63 GLN H A 63 GLN HGx 1.0 . 4.21 62 58 A 63 GLN H A 64 ALA HB% 1.0 . 5.50 63 59 A 111 TYR H A 112 ASN H 1.0 . 3.80 64 60 A 113 PRO HGy A 112 ASN H 1.0 . 5.50 65 61 A 63 GLN H A 64 ALA H 1.0 . 4.29 66 62 A 63 GLN H A 63 GLN HBy 1.0 . 3.53 67 63 A 52 ASP HA A 54 ALA H 1.0 . 5.50 68 64 A 112 ASN H A 112 ASN HD2y 1.0 . 4.82 69 65 A 112 ASN H A 112 ASN HD2x 1.0 . 5.27 70 66 A 112 ASN H A 111 TYR HA 1.0 . 2.82 71 67 A 113 PRO HDy A 112 ASN H 1.0 . 4.66 72 68 A 113 PRO HDx A 112 ASN H 1.0 . 4.36 73 69 A 42 VAL H A 87 ARG HA 1.0 . 5.47 74 70 A 54 ALA H A 53 ASN HBx 1.0 . 4.59 75 71 A 54 ALA H A 55 TRP HBy 1.0 . 5.15 76 72 A 42 VAL H A 16 TYR HE% 1.0 . 5.50 77 73 A 42 VAL H A 86 ASN HA 1.0 . 5.35 78 74 A 87 ARG H A 42 VAL H 1.0 . 5.24 79 75 A 41 LEU HDx% A 42 VAL H 1.0 . 5.50 80 76 A 84 PHE H A 73 SER HBx 1.0 . 5.50 81 77 A 52 ASP H A 54 ALA H 1.0 . 5.50 82 78 A 42 VAL H A 87 ARG HBx 1.0 . 5.50 83 78 A 42 VAL H A 87 ARG HBy 1.0 . 5.50 84 79 A 84 PHE H A 83 LEU HBx 1.0 . 5.31 85 80 A 84 PHE H A 74 VAL HGy% 1.0 . 4.79 86 81 A 6 LEU H A 5 GLN HGx 1.0 . 5.50 87 81 A 5 GLN HGy A 6 LEU H 1.0 . 5.50 88 82 A 6 LEU H A 6 LEU HBx 1.0 . 3.68 89 82 A 6 LEU H A 6 LEU HBy 1.0 . 3.68 90 83 A 6 LEU H A 6 LEU HDx% 1.0 . 5.07 91 84 A 6 LEU H A 5 GLN HBx 1.0 . 4.74 92 85 A 6 LEU H A 49 PRO HDx 1.0 . 5.50 93 85 A 6 LEU H A 49 PRO HDy 1.0 . 5.50 94 86 A 59 TYR HBy A 60 LYS H 1.0 . 4.29 95 87 A 60 LYS H A 59 TYR H 1.0 . 4.17 96 88 A 60 LYS H A 59 TYR HBx 1.0 . 4.22 97 89 A 60 LYS H A 60 LYS HGy 1.0 . 3.82 98 90 A 91 PHE H A 94 THR HG2% 1.0 . 5.50 99 91 A 91 PHE H A 89 ASP H 1.0 . 5.50 100 92 A 44 LEU H A 84 PHE HA 1.0 . 5.18 101 93 A 104 ILE H A 98 LYS HEx 1.0 . 5.49 102 94 A 26 LYS H A 26 LYS HBx 1.0 . 3.92 103 95 A 26 LYS H A 26 LYS HGx 1.0 . 5.06 104 96 A 57 VAL H A 58 MET H 1.0 . 4.65 105 97 A 57 VAL H A 57 VAL HB 1.0 . 3.89 106 98 A 57 VAL H A 57 VAL HGx% 1.0 . 4.31 107 99 A 60 LYS H A 59 TYR HD% 1.0 . 4.70 108 100 A 60 LYS H A 60 LYS HBy 1.0 . 3.51 109 101 A 60 LYS H A 60 LYS HBx 1.0 . 3.45 110 102 A 60 LYS H A 56 SER HA 1.0 . 5.50 111 103 A 92 ALA H A 91 PHE H 1.0 . 4.04 112 104 A 91 PHE H A 90 GLU H 1.0 . 4.33 113 105 A 89 ASP HA A 91 PHE H 1.0 . 4.83 114 106 A 91 PHE H A 90 GLU HBy 1.0 . 4.36 115 107 A 91 PHE H A 92 ALA HB% 1.0 . 4.85 116 108 A 20 ALA H A 19 SER H 1.0 . 4.10 117 109 A 18 TRP H A 19 SER H 1.0 . 5.50 118 110 A 44 LEU H A 44 LEU HG 1.0 . 4.72 119 111 A 105 ALA H A 104 ILE H 1.0 . 4.89 120 112 A 104 ILE H A 104 ILE HG1x 1.0 . 4.45 121 113 A 104 ILE HG1y A 104 ILE H 1.0 . 4.76 122 114 A 26 LYS H A 27 VAL HA 1.0 . 5.00 123 115 A 26 LYS H A 25 SER HBy 1.0 . 4.60 124 116 A 26 LYS H A 18 TRP HE3 1.0 . 4.27 125 117 A 26 LYS H A 25 SER HA 1.0 . 3.45 126 118 A 26 LYS HBy A 26 LYS H 1.0 . 3.97 127 119 A 57 VAL H A 56 SER HBx 1.0 . 4.32 128 120 A 19 SER H A 28 GLU HBx 1.0 . 5.50 129 120 A 19 SER H A 28 GLU HBy 1.0 . 5.50 130 121 A 75 LEU HBy A 76 GLU H 1.0 . 5.08 131 122 A 75 LEU HG A 76 GLU H 1.0 . 5.13 132 123 A 75 LEU HDy% A 76 GLU H 1.0 . 5.50 133 124 A 44 LEU H A 43 ALA HB% 1.0 . 4.32 134 125 A 26 LYS H A 25 SER HBx 1.0 . 4.63 135 126 A 90 GLU H A 89 ASP HBy 1.0 . 4.86 136 127 A 64 ALA H A 62 SER H 1.0 . 4.61 137 128 A 106 GLU H A 106 GLU HGx 1.0 . 3.59 138 128 A 106 GLU H A 106 GLU HGy 1.0 . 3.59 139 129 A 106 GLU H A 106 GLU HBy 1.0 . 3.72 140 130 A 106 GLU H A 106 GLU HBx 1.0 . 3.43 141 131 A 44 LEU HG A 106 GLU H 1.0 . 5.28 142 132 A 106 GLU H A 105 ALA HB% 1.0 . 3.73 143 133 A 90 GLU H A 89 ASP HBx 1.0 . 4.44 144 134 A 90 GLU H A 90 GLU HBy 1.0 . 3.32 145 135 A 90 GLU H A 93 ALA HB% 1.0 . 5.50 146 136 A 64 ALA H A 61 LEU HA 1.0 . 4.74 147 137 A 64 ALA H A 63 GLN HGx 1.0 . 4.82 148 138 A 64 ALA H A 63 GLN HBy 1.0 . 3.72 149 139 A 64 ALA H A 61 LEU HDy% 1.0 . 5.50 150 140 A 67 ASP H A 69 GLU H 1.0 . 5.50 151 141 A 68 ILE HG1x A 70 VAL H 1.0 . 4.65 152 142 A 69 GLU H A 70 VAL H 1.0 . 3.56 153 143 A 70 VAL H A 69 GLU HA 1.0 . 3.36 154 144 A 70 VAL H A 70 VAL HB 1.0 . 3.36 155 145 A 70 VAL H A 70 VAL HGy% 1.0 . 3.25 156 146 A 31 PRO HA A 32 GLN H 1.0 . 2.98 157 147 A 32 GLN H A 32 GLN HBx 1.0 . 2.96 158 147 A 32 GLN H A 32 GLN HBy 1.0 . 2.96 159 148 A 67 ASP H A 68 ILE HD1% 1.0 . 4.39 160 149 A 67 ASP H A 66 SER H 1.0 . 3.97 161 150 A 67 ASP H A 68 ILE H 1.0 . 3.78 162 151 A 100 PHE HBy A 102 VAL H 1.0 . 5.50 163 152 A 102 VAL HB A 102 VAL H 1.0 . 3.86 164 153 A 102 VAL H A 102 VAL HGy% 1.0 . 4.19 165 154 A 38 ASP H A 38 ASP HBx 1.0 . 3.91 166 155 A 35 PRO HBy A 36 CYS H 1.0 . 3.91 167 156 A 38 ASP H A 40 SER H 1.0 . 5.50 168 157 A 38 ASP H A 36 CYS HBx 1.0 . 5.50 169 157 A 38 ASP H A 36 CYS HBy 1.0 . 5.50 170 158 A 36 CYS H A 35 PRO HA 1.0 . 2.95 171 159 A 36 CYS H A 36 CYS HBx 1.0 . 3.53 172 159 A 36 CYS H A 36 CYS HBy 1.0 . 3.53 173 160 A 61 LEU H A 60 LYS HDx 1.0 . 5.50 174 160 A 60 LYS HDy A 61 LEU H 1.0 . 5.50 175 161 A 111 TYR H A 110 ASN HBy 1.0 . 3.68 176 162 A 113 PRO HDy A 111 TYR H 1.0 . 5.50 177 163 A 60 LYS H A 61 LEU H 1.0 . 4.76 178 164 A 60 LYS HBy A 61 LEU H 1.0 . 4.70 179 165 A 61 LEU H A 61 LEU HDx% 1.0 . 5.50 180 166 A 61 LEU H A 61 LEU HBy 1.0 . 3.82 181 167 A 6 LEU H A 5 GLN H 1.0 . 4.18 182 168 A 41 LEU H A 87 ARG HDx 1.0 . 5.50 183 169 A 41 LEU HDy% A 41 LEU H 1.0 . 5.32 184 170 A 64 ALA H A 61 LEU H 1.0 . 5.50 185 171 A 5 GLN H A 4 LEU HA 1.0 . 3.02 186 172 A 5 GLN HBx A 5 GLN H 1.0 . 3.14 187 173 A 41 LEU H A 40 SER HBy 1.0 . 4.31 188 174 A 60 LYS HBx A 61 LEU H 1.0 . 3.85 189 175 A 18 TRP H A 17 ARG HBy 1.0 . 3.99 190 176 A 18 TRP H A 17 ARG HGx 1.0 . 5.01 191 177 A 18 TRP H A 18 TRP HBy 1.0 . 4.07 192 178 A 18 TRP H A 17 ARG H 1.0 . 5.19 193 179 A 18 TRP H A 41 LEU HDy% 1.0 . 5.50 194 180 A 18 TRP H A 20 ALA H 1.0 . 4.81 195 181 A 18 TRP H A 18 TRP HBx 1.0 . 3.76 196 182 A 18 TRP H A 17 ARG HBx 1.0 . 4.26 197 183 A 100 PHE H A 100 PHE HD% 1.0 . 4.82 198 184 A 100 PHE H A 101 GLY H 1.0 . 3.47 199 185 A 100 PHE H A 100 PHE HBx 1.0 . 3.91 200 186 A 100 PHE H A 99 ASN HBx 1.0 . 4.45 201 187 A 100 PHE H A 97 LEU HDx% 1.0 . 5.26 202 188 A 15 ASN H A 15 ASN HBy 1.0 . 4.00 203 189 A 15 ASN H A 14 GLN HBx 1.0 . 3.63 204 189 A 15 ASN H A 14 GLN HBy 1.0 . 3.63 205 190 A 15 ASN H A 15 ASN HBx 1.0 . 3.79 206 191 A 15 ASN H A 14 GLN HGx 1.0 . 4.50 207 192 A 15 ASN H A 30 ILE HD1% 1.0 . 4.93 208 193 A 97 LEU HBx A 98 LYS H 1.0 . 5.17 209 194 A 104 ILE HD1% A 98 LYS H 1.0 . 4.76 210 195 A 100 PHE H A 97 LEU HA 1.0 . 4.51 211 196 A 100 PHE H A 97 LEU HBx 1.0 . 5.50 212 197 A 15 ASN H A 30 ILE HB 1.0 . 5.23 213 198 A 98 LYS H A 97 LEU HDy% 1.0 . 5.50 214 199 A 95 CYS H A 96 ARG H 1.0 . 3.92 215 200 A 95 CYS H A 93 ALA H 1.0 . 5.14 216 201 A 95 CYS H A 94 THR H 1.0 . 3.91 217 202 A 95 CYS H A 108 PHE HD% 1.0 . 5.50 218 203 A 94 THR HG2% A 95 CYS H 1.0 . 4.50 219 204 A 96 ARG H A 96 ARG HGx 1.0 . 5.04 220 204 A 96 ARG H A 96 ARG HGy 1.0 . 5.04 221 205 A 96 ARG H A 97 LEU H 1.0 . 4.13 222 206 A 96 ARG H A 94 THR HA 1.0 . 4.80 223 207 A 93 ALA HB% A 96 ARG H 1.0 . 4.84 224 208 A 94 THR HG2% A 96 ARG H 1.0 . 5.50 225 209 A 98 LYS H A 94 THR HA 1.0 . 5.50 226 210 A 96 ARG H A 94 THR H 1.0 . 5.07 227 211 A 66 SER H A 67 ASP HBx 1.0 . 5.49 228 212 A 66 SER H A 65 LEU HBx 1.0 . 4.38 229 213 A 108 PHE HD% A 108 PHE H 1.0 . 4.07 230 214 A 98 LYS HGx A 99 ASN H 1.0 . 5.50 231 215 A 77 CYS H A 80 GLU H 1.0 . 4.33 232 216 A 80 GLU H A 76 GLU HA 1.0 . 4.67 233 217 A 66 SER H A 65 LEU H 1.0 . 3.68 234 218 A 66 SER H A 65 LEU HBy 1.0 . 3.98 235 219 A 66 SER H A 65 LEU HG 1.0 . 5.10 236 220 A 66 SER H A 67 ASP HA 1.0 . 5.28 237 221 A 18 TRP HBy A 22 PHE H 1.0 . 5.50 238 222 A 108 PHE H A 107 PRO HBy 1.0 . 3.81 239 223 A 108 PHE H A 107 PRO HBx 1.0 . 3.83 240 224 A 97 LEU HDx% A 99 ASN H 1.0 . 5.50 241 225 A 80 GLU H A 78 GLU HBy 1.0 . 4.13 242 226 A 80 GLU H A 80 GLU HBx 1.0 . 4.14 243 226 A 80 GLU H A 80 GLU HBy 1.0 . 4.14 244 227 A 80 GLU H A 77 CYS HBy 1.0 . 4.73 245 228 A 59 TYR H A 58 MET HBx 1.0 . 5.11 246 229 A 66 SER H A 68 ILE H 1.0 . 4.98 247 230 A 22 PHE H A 21 GLY H 1.0 . 4.45 248 231 A 22 PHE H A 22 PHE HE% 1.0 . 4.76 249 232 A 22 PHE HBx A 22 PHE H 1.0 . 3.74 250 233 A 23 ALA HB% A 22 PHE H 1.0 . 4.41 251 234 A 20 ALA H A 22 PHE H 1.0 . 4.87 252 235 A 22 PHE H A 21 GLY HAy 1.0 . 3.48 253 236 A 5 GLN HA A 7 SER H 1.0 . 4.38 254 237 A 99 ASN H A 99 ASN HD2y 1.0 . 5.20 255 238 A 97 LEU HA A 99 ASN H 1.0 . 5.50 256 239 A 99 ASN H A 99 ASN HBy 1.0 . 3.76 257 240 A 99 ASN H A 98 LYS HDx 1.0 . 4.79 258 240 A 99 ASN H A 98 LYS HDy 1.0 . 4.79 259 241 A 74 VAL HGx% A 59 TYR H 1.0 . 5.26 260 242 A 59 TYR H A 58 MET H 1.0 . 4.95 261 243 A 22 PHE H A 26 LYS HGy 1.0 . 4.51 262 244 A 7 SER H A 6 LEU HBx 1.0 . 4.00 263 244 A 6 LEU HBy A 7 SER H 1.0 . 4.00 264 245 A 6 LEU HDx% A 7 SER H 1.0 . 4.36 265 246 A 59 TYR H A 59 TYR HBx 1.0 . 4.02 266 247 A 8 ILE H A 7 SER H 1.0 . 5.50 267 248 A 90 GLU HA A 93 ALA H 1.0 . 4.46 268 249 A 92 ALA HB% A 93 ALA H 1.0 . 3.57 269 250 A 89 ASP HA A 93 ALA H 1.0 . 4.62 270 251 A 96 ARG H A 93 ALA H 1.0 . 4.84 271 252 A 30 ILE HG1y A 16 TYR H 1.0 . 5.17 272 253 A 15 ASN HBx A 16 TYR H 1.0 . 4.55 273 254 A 87 ARG H A 89 ASP H 1.0 . 4.80 274 255 A 90 GLU HA A 89 ASP H 1.0 . 5.27 275 256 A 2 THR HG2% A 3 SER H 1.0 . 5.46 276 257 A 58 MET H A 57 VAL HB 1.0 . 4.05 277 258 A 89 ASP H A 88 GLN H 1.0 . 3.68 278 259 A 89 ASP H A 90 GLU H 1.0 . 3.41 279 260 A 89 ASP H A 89 ASP HBy 1.0 . 3.57 280 261 A 89 ASP H A 89 ASP HBx 1.0 . 3.50 281 262 A 89 ASP H A 88 GLN HBy 1.0 . 4.19 282 263 A 58 MET H A 56 SER HA 1.0 . 5.47 283 264 A 58 MET H A 57 VAL HGx% 1.0 . 4.48 284 265 A 3 SER H A 3 SER HBx 1.0 . 3.98 285 265 A 3 SER HBy A 3 SER H 1.0 . 3.98 286 266 A 97 LEU H A 97 LEU HBy 1.0 . 3.88 287 267 A 97 LEU H A 96 ARG HGx 1.0 . 4.65 288 267 A 96 ARG HGy A 97 LEU H 1.0 . 4.65 289 268 A 97 LEU HDx% A 97 LEU H 1.0 . 3.84 290 269 A 27 VAL H A 28 GLU H 1.0 . 5.42 291 270 A 65 LEU HBx A 65 LEU H 1.0 . 4.11 292 271 A 28 GLU H A 19 SER HA 1.0 . 5.50 293 272 A 65 LEU H A 65 LEU HBy 1.0 . 3.90 294 273 A 87 ARG H A 88 GLN H 1.0 . 4.35 295 274 A 90 GLU H A 88 GLN H 1.0 . 4.90 296 275 A 88 GLN H A 88 GLN HBy 1.0 . 3.83 297 276 A 88 GLN H A 87 ARG HBx 1.0 . 3.63 298 276 A 87 ARG HBy A 88 GLN H 1.0 . 3.63 299 277 A 88 GLN H A 87 ARG HGx 1.0 . 4.19 300 277 A 87 ARG HGy A 88 GLN H 1.0 . 4.19 301 278 A 37 GLY HAx A 39 ASN H 1.0 . 4.86 302 279 A 86 ASN H A 88 GLN H 1.0 . 5.31 303 280 A 88 GLN H A 42 VAL HGx% 1.0 . 5.48 304 281 A 33 ASN H A 33 ASN HBx 1.0 . 3.59 305 281 A 33 ASN H A 33 ASN HBy 1.0 . 3.59 306 282 A 33 ASN H A 32 GLN HGx 1.0 . 4.38 307 282 A 33 ASN H A 32 GLN HGy 1.0 . 4.38 308 283 A 39 ASN H A 38 ASP HA 1.0 . 3.41 309 284 A 39 ASN H A 37 GLY HAy 1.0 . 4.36 310 285 A 39 ASN H A 39 ASN HBx 1.0 . 3.33 311 286 A 38 ASP HBx A 39 ASN H 1.0 . 4.03 312 287 A 14 GLN H A 14 GLN HBx 1.0 . 3.47 313 287 A 14 GLN HBy A 14 GLN H 1.0 . 3.47 314 288 A 39 ASN H A 87 ARG HBx 1.0 . 5.50 315 288 A 87 ARG HBy A 39 ASN H 1.0 . 5.50 316 289 A 33 ASN H A 33 ASN HD2y 1.0 . 4.28 317 290 A 53 ASN H A 54 ALA H 1.0 . 4.21 318 291 A 53 ASN H A 52 ASP HBy 1.0 . 4.12 319 292 A 53 ASN H A 54 ALA HB% 1.0 . 5.50 320 293 A 49 PRO HBy A 50 ASP H 1.0 . 4.15 321 294 A 50 ASP H A 49 PRO HBx 1.0 . 3.92 322 295 A 50 ASP H A 49 PRO HA 1.0 . 3.48 323 296 A 54 ALA HB% A 55 TRP H 1.0 . 5.50 324 297 A 26 LYS HGy A 27 VAL H 1.0 . 4.70 325 298 A 108 PHE HD% A 109 SER H 1.0 . 4.45 326 299 A 109 SER H A 109 SER HBx 1.0 . 3.46 327 300 A 54 ALA H A 55 TRP H 1.0 . 4.21 328 301 A 26 LYS HBx A 27 VAL H 1.0 . 4.61 329 302 A 73 SER H A 85 VAL HGx% 1.0 . 5.50 330 303 A 72 CYS H A 72 CYS HBy 1.0 . 4.14 331 304 A 72 CYS H A 73 SER HA 1.0 . 5.50 332 305 A 40 SER H A 87 ARG HGx 1.0 . 4.57 333 305 A 87 ARG HGy A 40 SER H 1.0 . 4.57 334 306 A 17 ARG H A 16 TYR H 1.0 . 5.50 335 307 A 17 ARG H A 30 ILE HD1% 1.0 . 5.33 336 308 A 17 ARG H A 27 VAL HGx% 1.0 . 5.50 337 309 A 84 PHE HBx A 85 VAL H 1.0 . 5.21 338 310 A 85 VAL H A 84 PHE HBy 1.0 . 5.50 339 311 A 85 VAL H A 42 VAL HB 1.0 . 5.50 340 312 A 84 PHE H A 85 VAL H 1.0 . 5.31 341 313 A 40 SER H A 39 ASN H 1.0 . 3.47 342 314 A 40 SER H A 39 ASN HA 1.0 . 3.03 343 315 A 40 SER H A 38 ASP HA 1.0 . 4.06 344 316 A 40 SER H A 40 SER HBx 1.0 . 3.39 345 317 A 40 SER H A 87 ARG HDx 1.0 . 4.62 346 318 A 40 SER H A 87 ARG HBx 1.0 . 3.96 347 318 A 87 ARG HBy A 40 SER H 1.0 . 3.96 348 319 A 41 LEU HA A 40 SER H 1.0 . 5.50 349 320 A 17 ARG H A 29 PRO HA 1.0 . 4.93 350 321 A 17 ARG H A 16 TYR HD% 1.0 . 4.56 351 322 A 17 ARG H A 17 ARG HDx 1.0 . 5.50 352 323 A 85 VAL H A 84 PHE HD% 1.0 . 5.10 353 324 A 69 GLU H A 68 ILE HG1y 1.0 . 4.44 354 325 A 69 GLU H A 66 SER HA 1.0 . 3.88 355 326 A 69 GLU H A 68 ILE HG1x 1.0 . 4.70 356 327 A 69 GLU H A 70 VAL HGy% 1.0 . 3.77 357 328 A 69 GLU H A 70 VAL HA 1.0 . 4.35 358 329 A 65 LEU HG A 96 ARG HE 1.0 . 5.36 359 330 A 96 ARG HE A 93 ALA HA 1.0 . 5.50 360 331 A 2 THR HG2% A 2 THR H 1.0 . 4.60 361 332 A 63 GLN H A 62 SER H 1.0 . 3.95 362 333 A 62 SER H A 59 TYR HA 1.0 . 4.45 363 334 A 62 SER H A 61 LEU HBy 1.0 . 3.81 364 335 A 74 VAL HGy% A 62 SER H 1.0 . 4.25 365 336 A 56 SER H A 56 SER HBx 1.0 . 3.33 366 337 A 56 SER H A 55 TRP HBx 1.0 . 3.73 367 338 A 22 PHE HD% A 25 SER H 1.0 . 5.50 368 339 A 86 ASN HA A 86 ASN HD2y 1.0 . 4.64 369 340 A 25 SER H A 23 ALA HA 1.0 . 4.41 370 341 A 22 PHE HBx A 25 SER H 1.0 . 3.95 371 342 A 26 LYS HBy A 25 SER H 1.0 . 4.83 372 343 A 75 LEU HDy% A 25 SER H 1.0 . 5.50 373 344 A 26 LYS HBx A 25 SER H 1.0 . 4.86 374 345 A 23 ALA HB% A 25 SER H 1.0 . 4.97 375 346 A 41 LEU HDy% A 86 ASN HD2y 1.0 . 5.50 376 347 A 70 VAL HGy% A 86 ASN HD2y 1.0 . 5.50 377 348 A 71 PRO HA A 86 ASN HD2x 1.0 . 5.50 378 349 A 87 ARG H A 86 ASN HD2x 1.0 . 5.30 379 350 A 71 PRO HGx A 86 ASN HD2y 1.0 . 5.02 380 351 A 86 ASN HD2y A 71 PRO HDy 1.0 . 3.99 381 352 A 86 ASN HD2x A 71 PRO HGy 1.0 . 5.03 382 353 A 41 LEU HDy% A 86 ASN HD2x 1.0 . 5.50 383 354 A 70 VAL HA A 86 ASN HD2x 1.0 . 5.50 384 355 A 94 THR H A 108 PHE HD% 1.0 . 5.50 385 356 A 94 THR H A 94 THR HB 1.0 . 3.88 386 357 A 94 THR H A 95 CYS HBy 1.0 . 5.20 387 358 A 104 ILE HD1% A 94 THR H 1.0 . 5.38 388 359 A 93 ALA H A 94 THR H 1.0 . 4.02 389 360 A 32 GLN H A 33 ASN HD2y 1.0 . 5.50 390 361 A 112 ASN HA A 112 ASN HD2y 1.0 . 5.35 391 362 A 112 ASN HD2y A 112 ASN HBy 1.0 . 3.79 392 363 A 112 ASN HD2y A 112 ASN HBx 1.0 . 3.68 393 364 A 47 LEU HBy A 48 SER H 1.0 . 3.76 394 365 A 47 LEU HDy% A 48 SER H 1.0 . 4.07 395 366 A 33 ASN HD2x A 31 PRO HGx 1.0 . 4.37 396 366 A 31 PRO HGy A 33 ASN HD2x 1.0 . 4.37 397 367 A 33 ASN HD2x A 33 ASN HA 1.0 . 4.96 398 368 A 30 ILE HG2% A 33 ASN HD2x 1.0 . 4.61 399 369 A 112 ASN HD2x A 112 ASN HBx 1.0 . 4.06 400 370 A 33 ASN HD2y A 33 ASN HBx 1.0 . 3.33 401 370 A 33 ASN HBy A 33 ASN HD2y 1.0 . 3.33 402 371 A 33 ASN HD2y A 33 ASN HA 1.0 . 4.69 403 372 A 39 ASN HA A 88 GLN HE2x 1.0 . 4.85 404 373 A 33 ASN HD2x A 31 PRO HBx 1.0 . 4.53 405 374 A 33 ASN HD2x A 33 ASN HBx 1.0 . 3.60 406 374 A 33 ASN HBy A 33 ASN HD2x 1.0 . 3.60 407 375 A 86 ASN HBy A 88 GLN HE2y 1.0 . 4.64 408 376 A 53 ASN HBy A 53 ASN HD2y 1.0 . 3.47 409 377 A 88 GLN HE2x A 87 ARG HGx 1.0 . 5.17 410 377 A 87 ARG HGy A 88 GLN HE2x 1.0 . 5.17 411 378 A 88 GLN HE2y A 88 GLN HGy 1.0 . 3.50 412 379 A 53 ASN HA A 53 ASN HD2x 1.0 . 4.92 413 380 A 53 ASN HBy A 53 ASN HD2x 1.0 . 3.55 414 381 A 88 GLN HE2x A 88 GLN HGy 1.0 . 3.99 415 382 A 88 GLN H A 88 GLN HE2y 1.0 . 5.17 416 383 A 53 ASN HD2y A 53 ASN HA 1.0 . 4.74 417 384 A 30 ILE HD1% A 15 ASN HD2y 1.0 . 5.50 418 385 A 30 ILE HD1% A 15 ASN HD2x 1.0 . 5.37 419 386 A 99 ASN HD2x A 98 LYS HBx 1.0 . 5.50 420 386 A 98 LYS HBy A 99 ASN HD2x 1.0 . 5.50 421 387 A 99 ASN HD2y A 99 ASN HA 1.0 . 4.84 422 388 A 99 ASN HD2x A 99 ASN HA 1.0 . 4.60 423 389 A 99 ASN HD2y A 96 ARG HA 1.0 . 5.22 424 390 A 99 ASN H A 99 ASN HD2x 1.0 . 4.99 425 391 A 20 ALA H A 21 GLY H 1.0 . 5.13 426 392 A 21 GLY H A 22 PHE HA 1.0 . 4.74 427 393 A 38 ASP H A 37 GLY H 1.0 . 4.29 428 394 A 37 GLY H A 35 PRO HBx 1.0 . 4.73 429 395 A 35 PRO HBy A 37 GLY H 1.0 . 5.30 430 396 A 68 ILE H A 68 ILE HG1y 1.0 . 3.67 431 397 A 33 ASN H A 34 GLY H 1.0 . 3.81 432 398 A 30 ILE HG2% A 34 GLY H 1.0 . 4.36 433 399 A 33 ASN HA A 34 GLY H 1.0 . 3.56 434 400 A 34 GLY H A 32 GLN HA 1.0 . 3.81 435 401 A 34 GLY H A 33 ASN HBx 1.0 . 3.98 436 401 A 33 ASN HBy A 34 GLY H 1.0 . 3.98 437 402 A 54 ALA H A 51 GLY H 1.0 . 5.50 438 403 A 52 ASP H A 51 GLY H 1.0 . 5.39 439 404 A 50 ASP H A 51 GLY H 1.0 . 5.50 440 405 A 51 GLY H A 50 ASP HBy 1.0 . 3.94 441 406 A 51 GLY H A 50 ASP HBx 1.0 . 4.13 442 407 A 54 ALA HB% A 51 GLY H 1.0 . 5.26 443 408 A 101 GLY H A 100 PHE HBx 1.0 . 3.97 444 409 A 102 VAL HGy% A 101 GLY H 1.0 . 4.72 445 410 A 100 PHE HD% A 101 GLY H 1.0 . 5.13 446 411 A 101 GLY H A 102 VAL HGx% 1.0 . 4.22 447 412 A 80 GLU H A 79 GLY H 1.0 . 4.14 448 413 A 79 GLY H A 78 GLU HBx 1.0 . 3.91 449 414 A 75 LEU HBy A 84 PHE HZ 1.0 . 5.50 450 415 A 75 LEU HBy A 84 PHE HE% 1.0 . 4.94 451 416 A 16 TYR HD% A 41 LEU HBy 1.0 . 5.38 452 417 A 42 VAL H A 41 LEU HBx 1.0 . 5.13 453 418 A 16 TYR HE% A 41 LEU HBx 1.0 . 5.32 454 419 A 102 VAL HGx% A 101 GLY HAx 1.0 . 5.40 455 420 A 78 GLU HBx A 79 GLY HAx 1.0 . 5.40 456 421 A 21 GLY HAy A 22 PHE HA 1.0 . 5.25 457 422 A 37 GLY HAx A 38 ASP HA 1.0 . 4.88 458 423 A 20 ALA HB% A 21 GLY HAx 1.0 . 5.25 459 424 A 83 LEU HDx% A 83 LEU HBy 1.0 . 4.13 460 425 A 30 ILE HG2% A 34 GLY HAx 1.0 . 4.78 461 426 A 34 GLY HAy A 35 PRO HGx 1.0 . 4.62 462 426 A 34 GLY HAy A 35 PRO HGy 1.0 . 4.62 463 427 A 30 ILE HG2% A 34 GLY HAy 1.0 . 5.10 464 428 A 17 ARG H A 16 TYR HBx 1.0 . 5.28 465 429 A 18 TRP H A 17 ARG HDx 1.0 . 5.50 466 430 A 17 ARG HGx A 16 TYR HBy 1.0 . 5.50 467 431 A 42 VAL HGx% A 87 ARG HDy 1.0 . 4.45 468 432 A 87 ARG HDx A 87 ARG HBx 1.0 . 3.81 469 432 A 87 ARG HBy A 87 ARG HDx 1.0 . 3.81 470 433 A 30 ILE HB A 16 TYR HBx 1.0 . 5.45 471 434 A 40 SER HBx A 87 ARG HDy 1.0 . 4.56 472 435 A 87 ARG H A 89 ASP HBy 1.0 . 5.02 473 436 A 97 LEU H A 96 ARG HDx 1.0 . 5.07 474 437 A 93 ALA HB% A 96 ARG HDx 1.0 . 5.50 475 438 A 4 LEU H A 4 LEU HBy 1.0 . 3.80 476 439 A 60 LYS HGy A 60 LYS HEx 1.0 . 2.90 477 439 A 60 LYS HGy A 60 LYS HEy 1.0 . 2.90 478 440 A 60 LYS HGx A 60 LYS HEx 1.0 . 3.86 479 440 A 60 LYS HEy A 60 LYS HGx 1.0 . 3.86 480 441 A 57 VAL HGx% A 60 LYS HEx 1.0 . 4.61 481 441 A 57 VAL HGx% A 60 LYS HEy 1.0 . 4.61 482 442 A 98 LYS HA A 98 LYS HEy 1.0 . 5.45 483 443 A 56 SER HBy A 60 LYS HEx 1.0 . 4.76 484 443 A 56 SER HBx A 60 LYS HEx 1.0 . 4.76 485 443 A 60 LYS HEy A 56 SER HBy 1.0 . 4.76 486 443 A 60 LYS HEy A 56 SER HBx 1.0 . 4.76 487 444 A 61 LEU HDy% A 60 LYS HEx 1.0 . 5.04 488 444 A 61 LEU HDy% A 60 LYS HEy 1.0 . 5.04 489 445 A 98 LYS HBy A 98 LYS HEx 1.0 . 4.14 490 445 A 98 LYS HBx A 98 LYS HEx 1.0 . 4.14 491 446 A 22 PHE HE% A 26 LYS HEy 1.0 . 4.81 492 447 A 27 VAL HA A 26 LYS HEy 1.0 . 4.77 493 448 A 19 SER HBx A 26 LYS HEy 1.0 . 4.43 494 449 A 73 SER HBx A 84 PHE HBx 1.0 . 5.39 495 450 A 68 ILE HD1% A 67 ASP HBy 1.0 . 4.26 496 451 A 68 ILE H A 67 ASP HBx 1.0 . 4.07 497 452 A 67 ASP H A 67 ASP HBx 1.0 . 3.79 498 453 A 68 ILE HD1% A 67 ASP HBx 1.0 . 4.09 499 454 A 38 ASP H A 38 ASP HBy 1.0 . 3.94 500 455 A 22 PHE HBy A 25 SER HBy 1.0 . 4.99 501 456 A 22 PHE HBx A 25 SER HBy 1.0 . 4.84 502 457 A 97 LEU HDx% A 97 LEU HBx 1.0 . 3.95 503 458 A 22 PHE HBy A 25 SER HBx 1.0 . 5.14 504 459 A 26 LYS HBy A 22 PHE HBy 1.0 . 4.66 505 460 A 22 PHE HBy A 26 LYS HBx 1.0 . 4.90 506 461 A 94 THR HA A 97 LEU HBy 1.0 . 5.43 507 462 A 114 PHE H A 114 PHE HBy 1.0 . 3.80 508 463 A 57 VAL HGx% A 100 PHE HBx 1.0 . 4.43 509 464 A 114 PHE HBx A 113 PRO HGy 1.0 . 4.64 510 465 A 57 VAL HGx% A 100 PHE HBy 1.0 . 4.31 511 466 A 100 PHE HBy A 101 GLY H 1.0 . 4.13 512 467 A 100 PHE HBx A 97 LEU HDy% 1.0 . 4.33 513 468 A 100 PHE HBx A 97 LEU HBy 1.0 . 5.43 514 469 A 112 ASN H A 112 ASN HBx 1.0 . 4.09 515 470 A 112 ASN H A 112 ASN HBy 1.0 . 4.02 516 471 A 108 PHE H A 108 PHE HBy 1.0 . 3.97 517 472 A 108 PHE HBy A 91 PHE HBx 1.0 . 2.47 518 473 A 91 PHE HA A 108 PHE HBx 1.0 . 4.82 519 474 A 111 TYR H A 110 ASN HBx 1.0 . 4.78 520 475 A 30 ILE H A 30 ILE HB 1.0 . 3.97 521 476 A 30 ILE HB A 31 PRO HDx 1.0 . 5.48 522 477 A 86 ASN HBy A 87 ARG HBx 1.0 . 4.69 523 477 A 86 ASN HBy A 87 ARG HBy 1.0 . 4.69 524 478 A 86 ASN HBy A 86 ASN H 1.0 . 3.78 525 479 A 110 ASN HBy A 111 TYR HD% 1.0 . 4.64 526 480 A 110 ASN HBx A 109 SER HBy 1.0 . 4.73 527 481 A 30 ILE HB A 16 TYR HA 1.0 . 4.77 528 482 A 15 ASN HBx A 30 ILE HB 1.0 . 4.65 529 483 A 15 ASN HBy A 30 ILE HB 1.0 . 4.60 530 484 A 88 GLN H A 86 ASN HBx 1.0 . 4.45 531 485 A 86 ASN HD2y A 86 ASN HBx 1.0 . 3.63 532 486 A 92 ALA HB% A 91 PHE HBy 1.0 . 5.28 533 487 A 86 ASN HBy A 89 ASP HA 1.0 . 5.25 534 488 A 108 PHE HD% A 91 PHE HBy 1.0 . 4.11 535 489 A 33 ASN HD2y A 33 ASN HBx 1.0 . 3.97 536 490 A 104 ILE HB A 104 ILE H 1.0 . 3.75 537 491 A 33 ASN H A 33 ASN HBx 1.0 . 4.21 538 492 A 65 LEU HA A 68 ILE HB 1.0 . 4.46 539 493 A 68 ILE HD1% A 68 ILE HB 1.0 . 3.23 540 494 A 70 VAL H A 68 ILE HB 1.0 . 4.78 541 495 A 68 ILE H A 69 GLU HGx 1.0 . 4.68 542 495 A 68 ILE H A 69 GLU HGy 1.0 . 4.68 543 496 A 68 ILE HA A 69 GLU HGx 1.0 . 4.52 544 496 A 69 GLU HGy A 68 ILE HA 1.0 . 4.52 545 497 A 70 VAL H A 69 GLU HGx 1.0 . 4.11 546 497 A 70 VAL H A 69 GLU HGy 1.0 . 4.11 547 498 A 19 SER HBy A 26 LYS HBy 1.0 . 4.76 548 499 A 26 LYS HBy A 22 PHE HBx 1.0 . 4.36 549 500 A 26 LYS HBy A 19 SER H 1.0 . 5.22 550 501 A 19 SER HBy A 26 LYS HBx 1.0 . 4.79 551 502 A 107 PRO HDx A 106 GLU HGx 1.0 . 4.52 552 502 A 106 GLU HGy A 107 PRO HDx 1.0 . 4.52 553 503 A 106 GLU HA A 106 GLU HGx 1.0 . 3.62 554 503 A 106 GLU HGy A 106 GLU HA 1.0 . 3.62 555 504 A 106 GLU HBy A 106 GLU HGx 1.0 . 2.99 556 504 A 106 GLU HGy A 106 GLU HBy 1.0 . 2.99 557 505 A 28 GLU H A 27 VAL HB 1.0 . 3.96 558 506 A 16 TYR HD% A 27 VAL HB 1.0 . 4.35 559 507 A 92 ALA H A 90 GLU HGx 1.0 . 5.50 560 507 A 92 ALA H A 90 GLU HGy 1.0 . 5.50 561 508 A 41 LEU HDx% A 27 VAL HB 1.0 . 5.46 562 509 A 86 ASN H A 85 VAL HB 1.0 . 3.86 563 510 A 89 ASP HBy A 85 VAL HB 1.0 . 4.25 564 511 A 89 ASP HA A 85 VAL HB 1.0 . 4.98 565 512 A 94 THR HG2% A 90 GLU HGx 1.0 . 5.50 566 512 A 94 THR HG2% A 90 GLU HGy 1.0 . 5.50 567 513 A 87 ARG HA A 42 VAL HB 1.0 . 4.71 568 514 A 42 VAL H A 42 VAL HB 1.0 . 3.89 569 515 A 41 LEU HDx% A 17 ARG HBy 1.0 . 5.50 570 516 A 63 GLN HBx A 63 GLN HGy 1.0 . 2.56 571 516 A 63 GLN HBy A 63 GLN HGy 1.0 . 2.56 572 516 A 63 GLN HGx A 63 GLN HBy 1.0 . 2.56 573 516 A 63 GLN HBx A 63 GLN HGx 1.0 . 2.56 574 517 A 32 GLN HBx A 32 GLN HGx 1.0 . 2.73 575 517 A 32 GLN HBy A 32 GLN HGx 1.0 . 2.73 576 517 A 32 GLN HGy A 32 GLN HBx 1.0 . 2.73 577 517 A 32 GLN HBy A 32 GLN HGy 1.0 . 2.73 578 518 A 32 GLN HA A 32 GLN HGx 1.0 . 3.42 579 518 A 32 GLN HGy A 32 GLN HA 1.0 . 3.42 580 519 A 88 GLN H A 88 GLN HGy 1.0 . 3.89 581 520 A 88 GLN HA A 88 GLN HGy 1.0 . 3.80 582 521 A 89 ASP H A 88 GLN HGy 1.0 . 4.37 583 522 A 89 ASP H A 88 GLN HGx 1.0 . 4.23 584 523 A 88 GLN HE2y A 88 GLN HGx 1.0 . 3.88 585 524 A 88 GLN HGx A 88 GLN HBy 1.0 . 2.97 586 524 A 88 GLN HGx A 88 GLN HBx 1.0 . 2.97 587 525 A 33 ASN HA A 32 GLN HGx 1.0 . 4.76 588 525 A 32 GLN HGy A 33 ASN HA 1.0 . 4.76 589 526 A 32 GLN H A 32 GLN HGx 1.0 . 3.95 590 526 A 32 GLN H A 32 GLN HGy 1.0 . 3.95 591 527 A 88 GLN HE2x A 88 GLN HGx 1.0 . 4.05 592 528 A 74 VAL HB A 73 SER HA 1.0 . 5.00 593 529 A 108 PHE HD% A 107 PRO HBy 1.0 . 4.78 594 530 A 98 LYS HBx A 98 LYS HDx 1.0 . 3.12 595 530 A 98 LYS HDy A 98 LYS HBx 1.0 . 3.12 596 530 A 98 LYS HDy A 98 LYS HBy 1.0 . 3.12 597 530 A 98 LYS HBy A 98 LYS HDx 1.0 . 3.12 598 531 A 32 GLN H A 31 PRO HBx 1.0 . 4.49 599 532 A 113 PRO HBx A 114 PHE HD% 1.0 . 5.32 600 533 A 113 PRO HBy A 111 TYR HE% 1.0 . 4.39 601 534 A 72 CYS HBy A 62 SER HBy 1.0 . 5.47 602 535 A 18 TRP HBx A 20 ALA H 1.0 . 5.05 603 536 A 18 TRP HBy A 26 LYS HGy 1.0 . 5.50 604 537 A 16 TYR HE% A 14 GLN HBx 1.0 . 5.43 605 537 A 16 TYR HE% A 14 GLN HBy 1.0 . 5.43 606 538 A 65 LEU HDy% A 96 ARG HBy 1.0 . 4.29 607 539 A 42 VAL HGx% A 87 ARG HBx 1.0 . 3.92 608 539 A 87 ARG HBy A 42 VAL HGx% 1.0 . 3.92 609 540 A 98 LYS H A 98 LYS HDx 1.0 . 4.26 610 540 A 98 LYS H A 98 LYS HDy 1.0 . 4.26 611 541 A 98 LYS HA A 98 LYS HDx 1.0 . 3.97 612 541 A 98 LYS HDy A 98 LYS HA 1.0 . 3.97 613 542 A 94 THR HA A 98 LYS HDx 1.0 . 5.05 614 542 A 94 THR HA A 98 LYS HDy 1.0 . 5.05 615 543 A 98 LYS HGx A 98 LYS HDx 1.0 . 2.91 616 543 A 98 LYS HGx A 98 LYS HDy 1.0 . 2.91 617 544 A 6 LEU H A 5 GLN HBy 1.0 . 4.26 618 545 A 106 GLU HBy A 107 PRO HDy 1.0 . 3.86 619 546 A 96 ARG HE A 96 ARG HBy 1.0 . 4.44 620 547 A 60 LYS HA A 60 LYS HDx 1.0 . 4.25 621 547 A 60 LYS HDy A 60 LYS HA 1.0 . 4.25 622 548 A 57 VAL HA A 60 LYS HDx 1.0 . 4.40 623 548 A 60 LYS HDy A 57 VAL HA 1.0 . 4.40 624 549 A 60 LYS HGy A 60 LYS HDx 1.0 . 2.40 625 549 A 60 LYS HGy A 60 LYS HDy 1.0 . 2.40 626 550 A 57 VAL HGy% A 60 LYS HDx 1.0 . 5.23 627 550 A 60 LYS HDy A 57 VAL HGy% 1.0 . 5.23 628 551 A 5 GLN H A 5 GLN HBy 1.0 . 4.02 629 552 A 5 GLN HBx A 5 GLN HGx 1.0 . 2.98 630 552 A 5 GLN HGy A 5 GLN HBx 1.0 . 2.98 631 553 A 26 LYS HA A 26 LYS HDy 1.0 . 4.92 632 554 A 21 GLY HAy A 26 LYS HDy 1.0 . 5.00 633 555 A 30 ILE H A 30 ILE HG1x 1.0 . 5.48 634 556 A 30 ILE HG1y A 16 TYR HA 1.0 . 5.23 635 557 A 30 ILE HG1y A 17 ARG HDx 1.0 . 5.48 636 558 A 30 ILE HG1y A 29 PRO HA 1.0 . 4.99 637 559 A 68 ILE HG1x A 65 LEU HA 1.0 . 4.95 638 560 A 67 ASP H A 68 ILE HG1x 1.0 . 4.89 639 561 A 75 LEU HG A 84 PHE HE% 1.0 . 5.50 640 562 A 71 PRO HGx A 86 ASN HD2x 1.0 . 4.74 641 563 A 32 GLN H A 31 PRO HGx 1.0 . 5.22 642 563 A 32 GLN H A 31 PRO HGy 1.0 . 5.22 643 564 A 28 GLU HA A 29 PRO HGx 1.0 . 5.06 644 565 A 73 SER HBy A 75 LEU HG 1.0 . 5.11 645 566 A 75 LEU H A 75 LEU HG 1.0 . 4.09 646 567 A 105 ALA H A 104 ILE HG1x 1.0 . 5.11 647 568 A 3 SER H A 2 THR HB 1.0 . 4.35 648 569 A 108 PHE H A 107 PRO HGx 1.0 . 5.24 649 570 A 6 LEU HA A 6 LEU HG 1.0 . 4.23 650 571 A 4 LEU HG A 3 SER HBx 1.0 . 4.60 651 571 A 3 SER HBy A 4 LEU HG 1.0 . 4.60 652 572 A 72 CYS HBy A 83 LEU HG 1.0 . 5.13 653 573 A 97 LEU H A 97 LEU HG 1.0 . 3.94 654 574 A 88 GLN HA A 87 ARG HGx 1.0 . 5.02 655 574 A 87 ARG HGy A 88 GLN HA 1.0 . 5.02 656 575 A 6 LEU H A 6 LEU HG 1.0 . 4.11 657 576 A 41 LEU H A 41 LEU HG 1.0 . 3.97 658 577 A 95 CYS HBx A 98 LYS HDx 1.0 . 5.50 659 577 A 98 LYS HDy A 95 CYS HBx 1.0 . 5.50 660 578 A 92 ALA HB% A 95 CYS HBx 1.0 . 5.24 661 579 A 95 CYS H A 95 CYS HBx 1.0 . 3.62 662 580 A 96 ARG H A 95 CYS HBx 1.0 . 4.03 663 581 A 108 PHE HD% A 95 CYS HBx 1.0 . 5.37 664 582 A 17 ARG HBy A 41 LEU HG 1.0 . 4.65 665 583 A 94 THR H A 95 CYS HBx 1.0 . 5.17 666 584 A 65 LEU HBy A 65 LEU HDy% 1.0 . 3.87 667 585 A 93 ALA HB% A 65 LEU HDy% 1.0 . 3.97 668 586 A 66 SER H A 65 LEU HDy% 1.0 . 4.51 669 587 A 75 LEU HDy% A 25 SER HBy 1.0 . 4.26 670 588 A 83 LEU HDx% A 83 LEU HA 1.0 . 4.00 671 589 A 95 CYS H A 94 THR HB 1.0 . 4.17 672 590 A 104 ILE HD1% A 94 THR HB 1.0 . 4.48 673 591 A 59 TYR HBy A 60 LYS HGx 1.0 . 5.13 674 592 A 98 LYS H A 98 LYS HGx 1.0 . 5.43 675 593 A 75 LEU HDy% A 26 LYS H 1.0 . 5.16 676 594 A 93 ALA HB% A 94 THR HB 1.0 . 5.05 677 595 A 60 LYS HGy A 57 VAL HA 1.0 . 5.26 678 596 A 98 LYS H A 98 LYS HGy 1.0 . 4.87 679 597 A 98 LYS HGx A 98 LYS HEy 1.0 . 4.02 680 598 A 98 LYS HGx A 104 ILE HG2% 1.0 . 5.33 681 599 A 60 LYS H A 60 LYS HGx 1.0 . 4.48 682 600 A 6 LEU HA A 6 LEU HDy% 1.0 . 3.69 683 601 A 61 LEU HDx% A 100 PHE HBx 1.0 . 4.63 684 602 A 61 LEU HDx% A 61 LEU HBx 1.0 . 3.71 685 603 A 7 SER H A 6 LEU HDy% 1.0 . 4.59 686 604 A 6 LEU HDy% A 6 LEU HBx 1.0 . 2.76 687 604 A 6 LEU HBy A 6 LEU HDy% 1.0 . 2.76 688 605 A 19 SER HBy A 26 LYS HGx 1.0 . 4.94 689 606 A 19 SER HBy A 26 LYS HGy 1.0 . 5.22 690 607 A 26 LYS HGx A 27 VAL H 1.0 . 4.39 691 608 A 26 LYS HGx A 26 LYS HA 1.0 . 4.04 692 609 A 22 PHE HD% A 26 LYS HGx 1.0 . 5.08 693 610 A 26 LYS H A 75 LEU HDx% 1.0 . 5.50 694 611 A 74 VAL HB A 75 LEU HDx% 1.0 . 4.53 695 612 A 75 LEU HDx% A 75 LEU HA 1.0 . 3.45 696 613 A 73 SER HBy A 75 LEU HDx% 1.0 . 4.89 697 614 A 41 LEU HDx% A 17 ARG HA 1.0 . 4.38 698 615 A 41 LEU HDx% A 17 ARG H 1.0 . 5.28 699 616 A 18 TRP H A 41 LEU HDx% 1.0 . 4.74 700 617 A 104 ILE HD1% A 94 THR HA 1.0 . 3.65 701 618 A 41 LEU HDx% A 27 VAL HGx% 1.0 . 4.40 702 619 A 41 LEU HDx% A 84 PHE HD% 1.0 . 4.68 703 620 A 41 LEU HDx% A 27 VAL HA 1.0 . 5.08 704 621 A 97 LEU H A 94 THR HA 1.0 . 4.35 705 622 A 73 SER HBx A 84 PHE HBy 1.0 . 5.43 706 623 A 60 LYS HBx A 57 VAL HA 1.0 . 4.05 707 624 A 57 VAL HA A 60 LYS HEx 1.0 . 4.84 708 624 A 60 LYS HEy A 57 VAL HA 1.0 . 4.84 709 625 A 84 PHE HA A 44 LEU HDx% 1.0 . 3.99 710 626 A 74 VAL H A 73 SER HBx 1.0 . 4.74 711 627 A 44 LEU H A 44 LEU HDx% 1.0 . 4.23 712 628 A 65 LEU H A 65 LEU HDx% 1.0 . 3.88 713 629 A 96 ARG HDx A 65 LEU HDx% 1.0 . 4.25 714 630 A 65 LEU HBx A 65 LEU HDx% 1.0 . 3.46 715 631 A 6 LEU HDx% A 6 LEU HA 1.0 . 3.36 716 632 A 97 LEU HDx% A 97 LEU HBy 1.0 . 3.48 717 633 A 97 LEU HDx% A 96 ARG HGx 1.0 . 4.34 718 633 A 97 LEU HDx% A 96 ARG HGy 1.0 . 4.34 719 634 A 100 PHE HD% A 97 LEU HDx% 1.0 . 4.70 720 635 A 25 SER HBy A 25 SER H 1.0 . 4.01 721 636 A 25 SER HBx A 25 SER H 1.0 . 3.88 722 637 A 102 VAL H A 102 VAL HGx% 1.0 . 3.65 723 638 A 42 VAL H A 43 ALA HB% 1.0 . 5.42 724 639 A 57 VAL HGy% A 56 SER HBy 1.0 . 4.71 725 639 A 56 SER HBx A 57 VAL HGy% 1.0 . 4.71 726 640 A 41 LEU HDy% A 86 ASN H 1.0 . 5.44 727 641 A 41 LEU HDy% A 84 PHE HBx 1.0 . 4.48 728 642 A 41 LEU HDy% A 41 LEU HA 1.0 . 3.58 729 643 A 41 LEU HDy% A 86 ASN HA 1.0 . 3.48 730 644 A 41 LEU HDy% A 18 TRP HH2 1.0 . 5.24 731 645 A 41 LEU HDy% A 42 VAL H 1.0 . 3.86 732 646 A 30 ILE HD1% A 40 SER HBx 1.0 . 5.04 733 647 A 7 SER HBy A 9 VAL HGx% 1.0 . 5.04 734 647 A 7 SER HBy A 9 VAL HGy% 1.0 . 5.04 735 648 A 40 SER HBy A 39 ASN H 1.0 . 5.26 736 649 A 49 PRO HBx A 48 SER HBy 1.0 . 5.42 737 650 A 8 ILE H A 7 SER HBx 1.0 . 5.24 738 651 A 103 ALA H A 102 VAL HGy% 1.0 . 3.77 739 652 A 8 ILE HA A 9 VAL HGx% 1.0 . 3.99 740 652 A 9 VAL HGy% A 8 ILE HA 1.0 . 3.99 741 653 A 62 SER H A 61 LEU HDy% 1.0 . 4.36 742 654 A 27 VAL HA A 27 VAL HGx% 1.0 . 3.94 743 655 A 100 PHE HD% A 97 LEU HDy% 1.0 . 4.95 744 656 A 73 SER H A 85 VAL HGy% 1.0 . 4.75 745 657 A 28 GLU H A 27 VAL HGx% 1.0 . 4.65 746 658 A 27 VAL HGx% A 16 TYR HBy 1.0 . 5.07 747 659 A 47 LEU HDy% A 48 SER HBy 1.0 . 4.44 748 660 A 89 ASP HA A 70 VAL HGx% 1.0 . 4.59 749 661 A 70 VAL H A 70 VAL HGx% 1.0 . 3.98 750 662 A 86 ASN HD2x A 70 VAL HGx% 1.0 . 5.50 751 663 A 93 ALA HB% A 70 VAL HGx% 1.0 . 4.07 752 664 A 85 VAL HGy% A 72 CYS HBx 1.0 . 3.98 753 665 A 86 ASN H A 85 VAL HGy% 1.0 . 4.27 754 666 A 74 VAL HGy% A 74 VAL HA 1.0 . 3.90 755 667 A 13 PRO HA A 14 GLN HBx 1.0 . 4.64 756 667 A 14 GLN HBy A 13 PRO HA 1.0 . 4.64 757 668 A 70 VAL HA A 70 VAL HGx% 1.0 . 3.67 758 669 A 89 ASP HBx A 70 VAL HGx% 1.0 . 3.93 759 670 A 89 ASP HA A 85 VAL HGy% 1.0 . 4.37 760 671 A 73 SER HBx A 74 VAL HGy% 1.0 . 5.50 761 672 A 94 THR HG2% A 95 CYS HA 1.0 . 4.81 762 673 A 94 THR HG2% A 94 THR H 1.0 . 3.69 763 674 A 94 THR HG2% A 98 LYS HEx 1.0 . 4.18 764 675 A 94 THR HG2% A 94 THR HA 1.0 . 3.26 765 676 A 93 ALA H A 70 VAL HGx% 1.0 . 5.43 766 677 A 42 VAL HGx% A 87 ARG HGx 1.0 . 3.53 767 677 A 87 ARG HGy A 42 VAL HGx% 1.0 . 3.53 768 678 A 87 ARG H A 42 VAL HGx% 1.0 . 4.82 769 679 A 42 VAL HA A 42 VAL HGy% 1.0 . 4.14 770 680 A 74 VAL HGy% A 83 LEU HG 1.0 . 4.13 771 681 A 109 SER HBx A 110 ASN H 1.0 . 3.90 772 682 A 94 THR HG2% A 93 ALA H 1.0 . 4.46 773 683 A 94 THR HG2% A 95 CYS HBy 1.0 . 4.86 774 684 A 42 VAL H A 42 VAL HGx% 1.0 . 3.92 775 685 A 19 SER HBy A 19 SER H 1.0 . 3.99 776 686 A 109 SER HBy A 110 ASN H 1.0 . 4.16 777 687 A 19 SER HBx A 26 LYS HBx 1.0 . 5.18 778 688 A 86 ASN HA A 42 VAL HGy% 1.0 . 4.70 779 689 A 42 VAL HGy% A 43 ALA H 1.0 . 4.58 780 690 A 19 SER HBy A 22 PHE H 1.0 . 5.35 781 691 A 19 SER HBy A 22 PHE HD% 1.0 . 4.95 782 692 A 19 SER HBx A 26 LYS HBy 1.0 . 4.78 783 693 A 19 SER HBx A 18 TRP HA 1.0 . 5.46 784 694 A 87 ARG HDx A 42 VAL HGx% 1.0 . 4.47 785 695 A 42 VAL HGy% A 90 GLU HBy 1.0 . 4.58 786 696 A 87 ARG HDx A 42 VAL HGy% 1.0 . 4.13 787 697 A 5 GLN HBx A 3 SER HBx 1.0 . 4.27 788 697 A 3 SER HBy A 5 GLN HBx 1.0 . 4.27 789 698 A 95 CYS HA A 98 LYS HBx 1.0 . 3.60 790 698 A 98 LYS HBy A 95 CYS HA 1.0 . 3.60 791 699 A 95 CYS HA A 98 LYS HDx 1.0 . 3.86 792 699 A 98 LYS HDy A 95 CYS HA 1.0 . 3.86 793 700 A 103 ALA H A 103 ALA HB% 1.0 . 3.39 794 701 A 103 ALA HB% A 102 VAL HA 1.0 . 4.61 795 702 A 8 ILE HD1% A 103 ALA HB% 1.0 . 3.75 796 703 A 111 TYR HE% A 113 PRO HA 1.0 . 4.08 797 704 A 35 PRO HA A 36 CYS HBx 1.0 . 4.67 798 704 A 36 CYS HBy A 35 PRO HA 1.0 . 4.67 799 705 A 105 ALA HB% A 106 GLU HGx 1.0 . 4.50 800 705 A 106 GLU HGy A 105 ALA HB% 1.0 . 4.50 801 706 A 62 SER H A 62 SER HBy 1.0 . 4.00 802 707 A 74 VAL HGy% A 62 SER HBy 1.0 . 4.22 803 708 A 74 VAL HGy% A 62 SER HBx 1.0 . 3.88 804 709 A 105 ALA H A 105 ALA HB% 1.0 . 3.83 805 710 A 44 LEU HG A 105 ALA HB% 1.0 . 3.08 806 711 A 30 ILE HG2% A 31 PRO HA 1.0 . 4.66 807 712 A 29 PRO HA A 16 TYR HA 1.0 . 3.89 808 713 A 52 ASP HA A 54 ALA HB% 1.0 . 5.46 809 714 A 65 LEU HBy A 66 SER HA 1.0 . 4.28 810 715 A 68 ILE H A 66 SER HA 1.0 . 4.69 811 716 A 59 TYR HA A 58 MET HE% 1.0 . 4.42 812 717 A 54 ALA HB% A 56 SER H 1.0 . 5.03 813 718 A 54 ALA H A 54 ALA HB% 1.0 . 3.43 814 719 A 59 TYR HA A 59 TYR HE% 1.0 . 5.38 815 720 A 56 SER HA A 60 LYS HGx 1.0 . 4.41 816 721 A 3 SER H A 2 THR HA 1.0 . 3.44 817 722 A 2 THR HG2% A 2 THR HA 1.0 . 3.21 818 723 A 102 VAL HGy% A 102 VAL HA 1.0 . 3.91 819 724 A 58 MET HBx A 58 MET HE% 1.0 . 3.76 820 725 A 74 VAL HGx% A 58 MET HE% 1.0 . 3.88 821 726 A 93 ALA HB% A 96 ARG HE 1.0 . 5.50 822 727 A 90 GLU HA A 93 ALA HB% 1.0 . 3.85 823 728 A 93 ALA HB% A 93 ALA H 1.0 . 3.32 824 729 A 89 ASP HBy A 93 ALA HB% 1.0 . 4.66 825 730 A 93 ALA HB% A 97 LEU HG 1.0 . 4.31 826 731 A 93 ALA HB% A 85 VAL HGy% 1.0 . 3.33 827 732 A 54 ALA HB% A 50 ASP H 1.0 . 5.50 828 733 A 108 PHE HBy A 91 PHE HA 1.0 . 3.11 829 734 A 93 ALA HB% A 94 THR H 1.0 . 3.73 830 735 A 93 ALA HB% A 95 CYS H 1.0 . 5.00 831 736 A 84 PHE H A 74 VAL HA 1.0 . 4.89 832 737 A 56 SER HA A 55 TRP HA 1.0 . 4.81 833 738 A 59 TYR H A 56 SER HA 1.0 . 4.13 834 739 A 54 ALA HB% A 55 TRP HA 1.0 . 5.38 835 740 A 55 TRP HD1 A 55 TRP HA 1.0 . 4.81 836 741 A 55 TRP HA A 55 TRP HZ3 1.0 . 5.05 837 742 A 74 VAL HGx% A 55 TRP HA 1.0 . 4.91 838 743 A 90 GLU HA A 85 VAL HGy% 1.0 . 4.03 839 744 A 90 GLU HA A 94 THR H 1.0 . 4.52 840 745 A 90 GLU HA A 94 THR HG2% 1.0 . 5.15 841 746 A 90 GLU HA A 85 VAL HGx% 1.0 . 3.80 842 747 A 92 ALA HB% A 95 CYS H 1.0 . 5.22 843 748 A 92 ALA HB% A 91 PHE HA 1.0 . 5.50 844 749 A 92 ALA HB% A 96 ARG HDx 1.0 . 5.50 845 750 A 90 GLU H A 85 VAL HGx% 1.0 . 4.94 846 751 A 26 LYS HA A 27 VAL HGy% 1.0 . 4.59 847 752 A 92 ALA HB% A 96 ARG HGx 1.0 . 3.70 848 752 A 92 ALA HB% A 96 ARG HGy 1.0 . 3.70 849 753 A 92 ALA H A 92 ALA HB% 1.0 . 3.03 850 754 A 89 ASP HA A 92 ALA HB% 1.0 . 3.88 851 755 A 20 ALA H A 20 ALA HB% 1.0 . 3.14 852 756 A 21 GLY HAy A 20 ALA HB% 1.0 . 4.93 853 757 A 89 ASP H A 85 VAL HGx% 1.0 . 5.42 854 758 A 89 ASP HA A 85 VAL HGx% 1.0 . 5.50 855 759 A 87 ARG HA A 85 VAL HGx% 1.0 . 4.89 856 760 A 89 ASP HBy A 85 VAL HGx% 1.0 . 4.58 857 761 A 85 VAL HGx% A 42 VAL HB 1.0 . 3.90 858 762 A 93 ALA HB% A 85 VAL HGx% 1.0 . 4.00 859 763 A 86 ASN H A 85 VAL HGx% 1.0 . 4.60 860 764 A 28 GLU H A 27 VAL HGy% 1.0 . 4.62 861 765 A 27 VAL H A 27 VAL HGy% 1.0 . 3.81 862 766 A 75 LEU HDy% A 27 VAL HGy% 1.0 . 4.76 863 767 A 41 LEU HDx% A 27 VAL HGy% 1.0 . 5.50 864 768 A 65 LEU HBy A 62 SER HA 1.0 . 4.28 865 769 A 92 ALA HB% A 95 CYS HBy 1.0 . 5.15 866 770 A 106 GLU H A 8 ILE HG2% 1.0 . 4.86 867 771 A 89 ASP HBx A 85 VAL HGx% 1.0 . 5.34 868 772 A 68 ILE HG1y A 68 ILE HG2% 1.0 . 3.70 869 773 A 68 ILE HG1x A 68 ILE HG2% 1.0 . 3.81 870 774 A 8 ILE HG2% A 9 VAL H 1.0 . 3.88 871 775 A 8 ILE HA A 8 ILE HG2% 1.0 . 3.85 872 776 A 65 LEU HBx A 62 SER HA 1.0 . 4.73 873 777 A 69 GLU H A 68 ILE HG2% 1.0 . 4.72 874 778 A 48 SER H A 8 ILE HG2% 1.0 . 4.86 875 779 A 8 ILE HG2% A 47 LEU HA 1.0 . 4.76 876 780 A 88 GLN HA A 87 ARG HA 1.0 . 4.98 877 781 A 87 ARG HA A 89 ASP H 1.0 . 4.42 878 782 A 87 ARG HA A 87 ARG HGx 1.0 . 3.40 879 782 A 87 ARG HGy A 87 ARG HA 1.0 . 3.40 880 783 A 87 ARG HA A 87 ARG HDx 1.0 . 4.22 881 784 A 105 ALA H A 104 ILE HG2% 1.0 . 3.99 882 785 A 104 ILE HG1y A 104 ILE HG2% 1.0 . 3.94 883 786 A 104 ILE HG1x A 104 ILE HG2% 1.0 . 3.50 884 787 A 42 VAL HGx% A 42 VAL HA 1.0 . 3.75 885 788 A 23 ALA HB% A 18 TRP HBx 1.0 . 4.49 886 789 A 23 ALA HB% A 24 GLY HAy 1.0 . 4.44 887 790 A 30 ILE HG2% A 33 ASN HBx 1.0 . 5.01 888 791 A 30 ILE HG2% A 15 ASN HBx 1.0 . 4.95 889 792 A 30 ILE HG2% A 35 PRO HA 1.0 . 5.06 890 793 A 30 ILE HG2% A 31 PRO HDx 1.0 . 3.71 891 794 A 30 ILE HG2% A 31 PRO HGx 1.0 . 4.25 892 794 A 30 ILE HG2% A 31 PRO HGy 1.0 . 4.25 893 795 A 63 GLN H A 60 LYS HA 1.0 . 3.65 894 796 A 60 LYS HGy A 60 LYS HA 1.0 . 3.54 895 797 A 60 LYS HGx A 60 LYS HA 1.0 . 3.76 896 798 A 30 ILE HG1y A 30 ILE HG2% 1.0 . 3.66 897 799 A 30 ILE HG2% A 30 ILE HG1x 1.0 . 3.34 898 800 A 70 VAL HA A 71 PRO HDy 1.0 . 3.58 899 801 A 70 VAL HA A 71 PRO HDx 1.0 . 3.56 900 802 A 98 LYS HA A 98 LYS HGy 1.0 . 3.49 901 803 A 98 LYS HGx A 98 LYS HA 1.0 . 3.72 902 804 A 60 LYS HA A 63 GLN HGy 1.0 . 4.09 903 804 A 63 GLN HGx A 60 LYS HA 1.0 . 4.09 904 805 A 64 ALA HB% A 64 ALA H 1.0 . 3.37 905 806 A 70 VAL HA A 71 PRO HGy 1.0 . 4.93 906 807 A 30 ILE HA A 31 PRO HDy 1.0 . 3.70 907 808 A 31 PRO HDx A 30 ILE HA 1.0 . 3.80 908 809 A 27 VAL HA A 28 GLU HBx 1.0 . 4.94 909 809 A 27 VAL HA A 28 GLU HBy 1.0 . 4.94 910 810 A 27 VAL HA A 26 LYS HGy 1.0 . 5.41 911 811 A 68 ILE HD1% A 68 ILE H 1.0 . 3.69 912 812 A 25 SER HA A 75 LEU HDx% 1.0 . 3.83 913 813 A 79 GLY H A 77 CYS HA 1.0 . 4.66 914 814 A 30 ILE HG1x A 30 ILE HA 1.0 . 4.15 915 815 A 105 ALA H A 104 ILE HA 1.0 . 3.50 916 816 A 114 PHE HBy A 114 PHE HA 1.0 . 2.80 917 817 A 114 PHE HBx A 114 PHE HA 1.0 . 3.00 918 818 A 114 PHE HD% A 114 PHE HA 1.0 . 4.02 919 819 A 4 LEU HG A 3 SER HA 1.0 . 3.56 920 820 A 4 LEU HDy% A 3 SER HA 1.0 . 4.09 921 821 A 104 ILE HG2% A 104 ILE HA 1.0 . 3.44 922 822 A 4 LEU H A 3 SER HA 1.0 . 3.02 923 823 A 3 SER HA A 3 SER HBx 1.0 . 2.64 924 823 A 3 SER HBy A 3 SER HA 1.0 . 2.64 925 824 A 63 GLN HA A 63 GLN HGy 1.0 . 3.26 926 824 A 63 GLN HGx A 63 GLN HA 1.0 . 3.26 927 825 A 63 GLN HA A 63 GLN HBy 1.0 . 2.94 928 825 A 63 GLN HBx A 63 GLN HA 1.0 . 2.94 929 826 A 100 PHE HD% A 97 LEU HA 1.0 . 4.32 930 827 A 100 PHE HBy A 97 LEU HA 1.0 . 4.49 931 828 A 97 LEU HDx% A 97 LEU HA 1.0 . 3.36 932 829 A 72 CYS HA A 73 SER HA 1.0 . 5.08 933 830 A 6 LEU HDx% A 7 SER HA 1.0 . 4.53 934 831 A 88 GLN HA A 90 GLU H 1.0 . 4.59 935 832 A 88 GLN HA A 88 GLN HBy 1.0 . 2.64 936 832 A 88 GLN HA A 88 GLN HBx 1.0 . 2.64 937 833 A 100 PHE HBx A 97 LEU HA 1.0 . 4.11 938 834 A 74 VAL HGy% A 73 SER HA 1.0 . 4.81 939 835 A 74 VAL H A 73 SER HA 1.0 . 3.04 940 836 A 111 TYR HA A 111 TYR HBx 1.0 . 2.66 941 836 A 111 TYR HA A 111 TYR HBy 1.0 . 2.66 942 837 A 88 GLN HA A 91 PHE H 1.0 . 5.01 943 838 A 96 ARG HA A 95 CYS HA 1.0 . 4.76 944 839 A 61 LEU HA A 61 LEU HDy% 1.0 . 3.17 945 840 A 108 PHE HD% A 108 PHE HA 1.0 . 3.57 946 841 A 32 GLN HA A 32 GLN HBx 1.0 . 2.80 947 841 A 32 GLN HBy A 32 GLN HA 1.0 . 2.80 948 842 A 33 ASN H A 32 GLN HA 1.0 . 3.11 949 843 A 30 ILE H A 30 ILE HD1% 1.0 . 4.80 950 844 A 15 ASN HBy A 30 ILE HD1% 1.0 . 3.90 951 845 A 30 ILE HD1% A 15 ASN HA 1.0 . 4.18 952 846 A 41 LEU HDx% A 84 PHE HA 1.0 . 5.50 953 847 A 26 LYS HGy A 26 LYS HA 1.0 . 3.66 954 848 A 108 PHE HA A 107 PRO HA 1.0 . 4.50 955 849 A 68 ILE H A 67 ASP HA 1.0 . 3.43 956 850 A 17 ARG HBx A 30 ILE HD1% 1.0 . 4.40 957 851 A 84 PHE HA A 85 VAL H 1.0 . 3.25 958 852 A 84 PHE HA A 84 PHE HD% 1.0 . 4.31 959 853 A 84 PHE HA A 85 VAL HGx% 1.0 . 4.11 960 854 A 42 VAL H A 84 PHE HA 1.0 . 4.69 961 855 A 16 TYR HD% A 16 TYR HA 1.0 . 4.74 962 856 A 27 VAL HGx% A 26 LYS HA 1.0 . 3.96 963 857 A 67 ASP HBx A 67 ASP HA 1.0 . 2.90 964 858 A 84 PHE HA A 85 VAL HA 1.0 . 4.96 965 859 A 30 ILE H A 16 TYR HA 1.0 . 4.20 966 860 A 16 TYR HA A 30 ILE HG1x 1.0 . 5.09 967 861 A 72 CYS HA A 73 SER H 1.0 . 3.50 968 862 A 8 ILE HD1% A 48 SER HBx 1.0 . 4.42 969 863 A 72 CYS HA A 73 SER HBx 1.0 . 5.35 970 864 A 72 CYS HA A 85 VAL HGy% 1.0 . 4.00 971 865 A 27 VAL HGx% A 18 TRP HA 1.0 . 4.65 972 866 A 105 ALA H A 8 ILE HD1% 1.0 . 5.50 973 867 A 8 ILE HD1% A 8 ILE HA 1.0 . 4.14 974 868 A 8 ILE HD1% A 9 VAL H 1.0 . 5.30 975 869 A 6 LEU H A 5 GLN HA 1.0 . 2.95 976 870 A 5 GLN HA A 5 GLN HGx 1.0 . 3.21 977 870 A 5 GLN HGy A 5 GLN HA 1.0 . 3.21 978 871 A 5 GLN HBx A 5 GLN HA 1.0 . 2.85 979 872 A 4 LEU HDy% A 4 LEU HA 1.0 . 3.11 980 873 A 38 ASP HA A 38 ASP HBy 1.0 . 2.91 981 874 A 99 ASN HBx A 99 ASN HA 1.0 . 2.93 982 875 A 15 ASN H A 14 GLN HA 1.0 . 2.98 983 876 A 57 VAL HGx% A 54 ALA HA 1.0 . 4.05 984 877 A 104 ILE HD1% A 98 LYS HEx 1.0 . 4.32 985 878 A 15 ASN HBy A 14 GLN HA 1.0 . 4.62 986 879 A 56 SER H A 54 ALA HA 1.0 . 4.71 987 880 A 57 VAL HB A 54 ALA HA 1.0 . 4.52 988 881 A 104 ILE HD1% A 104 ILE HA 1.0 . 4.33 989 882 A 104 ILE HD1% A 98 LYS HDx 1.0 . 3.76 990 882 A 104 ILE HD1% A 98 LYS HDy 1.0 . 3.76 991 883 A 104 ILE HD1% A 98 LYS HGx 1.0 . 4.45 992 884 A 104 ILE HD1% A 97 LEU HBx 1.0 . 3.15 993 885 A 6 LEU HA A 5 GLN HGx 1.0 . 5.18 994 885 A 5 GLN HGy A 6 LEU HA 1.0 . 5.18 995 886 A 6 LEU HA A 6 LEU HBx 1.0 . 2.97 996 886 A 6 LEU HBy A 6 LEU HA 1.0 . 2.97 997 887 A 95 CYS H A 92 ALA HA 1.0 . 4.10 998 888 A 95 CYS HBx A 92 ALA HA 1.0 . 3.44 999 889 A 7 SER H A 6 LEU HA 1.0 . 3.13 1000 890 A 93 ALA HA A 96 ARG HDx 1.0 . 5.33 1001 891 A 93 ALA HA A 65 LEU HDy% 1.0 . 3.18 1002 892 A 96 ARG H A 93 ALA HA 1.0 . 3.75 1003 893 A 64 ALA HA A 63 GLN HBy 1.0 . 4.74 1004 893 A 63 GLN HBx A 64 ALA HA 1.0 . 4.74 1005 894 A 23 ALA HA A 18 TRP HA 1.0 . 5.22 1006 895 A 89 ASP HA A 88 GLN HBy 1.0 . 4.59 1007 895 A 89 ASP HA A 88 GLN HBx 1.0 . 4.59 1008 896 A 18 TRP HE3 A 23 ALA HA 1.0 . 5.40 1009 897 A 18 TRP HBx A 23 ALA HA 1.0 . 4.10 1010 898 A 18 TRP HBy A 23 ALA HA 1.0 . 3.95 1011 899 A 106 GLU HA A 107 PRO HDy 1.0 . 3.13 1012 900 A 20 ALA HA A 21 GLY H 1.0 . 3.53 1013 901 A 18 TRP HE1 A 23 ALA HA 1.0 . 5.29 1014 902 A 23 ALA HA A 24 GLY HAx 1.0 . 4.65 1015 903 A 17 ARG HGx A 17 ARG HA 1.0 . 4.06 1016 904 A 106 GLU HA A 107 PRO HA 1.0 . 4.55 1017 905 A 41 LEU HA A 42 VAL H 1.0 . 3.55 1018 906 A 41 LEU HA A 86 ASN HA 1.0 . 4.07 1019 907 A 41 LEU HDx% A 41 LEU HA 1.0 . 4.84 1020 908 A 74 VAL HB A 75 LEU HA 1.0 . 5.20 1021 909 A 84 PHE HBy A 83 LEU HA 1.0 . 4.98 1022 910 A 33 ASN HBy A 33 ASN HA 1.0 . 2.73 1023 911 A 16 TYR H A 15 ASN HA 1.0 . 3.51 1024 912 A 15 ASN HD2y A 15 ASN HA 1.0 . 4.98 1025 913 A 15 ASN HA A 14 GLN HA 1.0 . 5.08 1026 914 A 75 LEU HA A 55 TRP HH2 1.0 . 4.37 1027 915 A 75 LEU HG A 75 LEU HA 1.0 . 3.47 1028 916 A 75 LEU HDy% A 75 LEU HA 1.0 . 4.62 1029 917 A 110 ASN HBy A 110 ASN HA 1.0 . 2.81 1030 918 A 111 TYR H A 110 ASN HA 1.0 . 2.88 1031 919 A 39 ASN HA A 38 ASP HBy 1.0 . 5.40 1032 920 A 79 GLY HAx A 80 GLU HA 1.0 . 4.91 1033 921 A 44 LEU HG A 44 LEU HA 1.0 . 3.72 1034 922 A 28 GLU HA A 28 GLU HGx 1.0 . 3.08 1035 922 A 28 GLU HA A 28 GLU HGy 1.0 . 3.08 1036 923 A 27 VAL HB A 28 GLU HA 1.0 . 5.00 1037 924 A 105 ALA HA A 106 GLU HGx 1.0 . 4.37 1038 924 A 106 GLU HGy A 105 ALA HA 1.0 . 4.37 1039 925 A 106 GLU H A 105 ALA HA 1.0 . 2.96 1040 926 A 8 ILE HD1% A 105 ALA HA 1.0 . 4.12 1041 927 A 70 VAL H A 71 PRO HDy 1.0 . 5.28 1042 928 A 70 VAL H A 71 PRO HDx 1.0 . 5.38 1043 929 A 30 ILE HG2% A 31 PRO HDy 1.0 . 4.21 1044 930 A 32 GLN H A 31 PRO HDx 1.0 . 4.91 1045 931 A 113 PRO HDy A 112 ASN HA 1.0 . 2.85 1046 932 A 104 ILE H A 103 ALA HA 1.0 . 3.09 1047 933 A 30 ILE HG1y A 31 PRO HDy 1.0 . 5.50 1048 934 A 112 ASN HA A 114 PHE HD% 1.0 . 4.44 1049 935 A 28 GLU HA A 29 PRO HDx 1.0 . 3.85 1050 936 A 113 PRO HDy A 111 TYR HE% 1.0 . 5.50 1051 937 A 50 ASP H A 49 PRO HDx 1.0 . 5.50 1052 937 A 49 PRO HDy A 50 ASP H 1.0 . 5.50 1053 938 A 113 PRO HDy A 109 SER H 1.0 . 4.80 1054 939 A 34 GLY HAx A 35 PRO HDx 1.0 . 3.47 1055 939 A 34 GLY HAx A 35 PRO HDy 1.0 . 3.47 1056 940 A 36 CYS H A 35 PRO HDx 1.0 . 5.38 1057 940 A 36 CYS H A 35 PRO HDy 1.0 . 5.38 1058 941 A 111 TYR H A 111 TYR HD% 1.0 . 3.72 1059 942 A 59 TYR HD% A 59 TYR HA 1.0 . 2.99 1060 943 A 74 VAL HB A 59 TYR HD% 1.0 . 4.14 1061 944 A 16 TYR HD% A 15 ASN HA 1.0 . 3.71 1062 945 A 22 PHE HD% A 26 LYS HBx 1.0 . 4.14 1063 946 A 22 PHE HD% A 26 LYS HGy 1.0 . 4.07 1064 947 A 22 PHE HD% A 21 GLY HAy 1.0 . 3.43 1065 948 A 108 PHE HD% A 91 PHE HBx 1.0 . 2.79 1066 949 A 61 LEU HDy% A 100 PHE HD% 1.0 . 3.37 1067 950 A 100 PHE HD% A 100 PHE HA 1.0 . 3.29 1068 951 A 18 TRP HBx A 18 TRP HD1 1.0 . 3.35 1069 952 A 23 ALA HB% A 18 TRP HD1 1.0 . 3.92 1070 953 A 18 TRP H A 18 TRP HD1 1.0 . 3.47 1071 954 A 84 PHE HE% A 27 VAL HGy% 1.0 . 4.08 1072 955 A 55 TRP HD1 A 52 ASP HA 1.0 . 3.91 1073 956 A 18 TRP HE3 A 18 TRP HA 1.0 . 4.18 1074 957 A 16 TYR HE% A 42 VAL HGx% 1.0 . 3.93 1075 958 A 74 VAL HB A 59 TYR HE% 1.0 . 3.31 1076 959 A 55 TRP HZ2 A 76 GLU HBx 1.0 . 3.80 1077 959 A 55 TRP HZ2 A 76 GLU HBy 1.0 . 3.80 1078 960 A 86 ASN H A 86 ASN HBx 1.0 . 4.10 1079 961 A 78 GLU H A 78 GLU HGy 1.0 . 4.60 1080 962 A 78 GLU H A 79 GLY H 1.0 . 4.31 1081 963 A 78 GLU H A 77 CYS HBx 1.0 . 4.99 1082 964 A 78 GLU H A 78 GLU HGx 1.0 . 4.44 1083 965 A 78 GLU H A 80 GLU H 1.0 . 5.28 1084 966 A 42 VAL H A 43 ALA H 1.0 . 5.50 1085 967 A 42 VAL H A 85 VAL H 1.0 . 4.39 1086 968 A 41 LEU H A 16 TYR HD% 1.0 . 5.50 1087 969 A 42 VAL H A 85 VAL HGx% 1.0 . 4.24 1088 970 A 41 LEU HDx% A 41 LEU H 1.0 . 4.82 1089 971 A 88 GLN H A 88 GLN HE2x 1.0 . 5.49 1090 972 A 86 ASN HBy A 88 GLN H 1.0 . 4.14 1091 973 A 88 GLN H A 88 GLN HGx 1.0 . 3.98 1092 974 A 88 GLN H A 88 GLN HBy 1.0 . 3.19 1093 974 A 88 GLN H A 88 GLN HBx 1.0 . 3.19 1094 975 A 77 CYS H A 76 GLU HBx 1.0 . 3.98 1095 975 A 77 CYS H A 76 GLU HBy 1.0 . 3.98 1096 976 A 77 CYS H A 79 GLY H 1.0 . 4.61 1097 977 A 84 PHE H A 73 SER H 1.0 . 4.56 1098 978 A 17 ARG H A 16 TYR HBy 1.0 . 4.41 1099 979 A 17 ARG HGx A 17 ARG H 1.0 . 4.77 1100 980 A 84 PHE H A 73 SER HBy 1.0 . 4.86 1101 981 A 16 TYR HE% A 28 GLU H 1.0 . 4.67 1102 982 A 91 PHE H A 90 GLU HGx 1.0 . 4.49 1103 982 A 91 PHE H A 90 GLU HGy 1.0 . 4.49 1104 983 A 28 GLU H A 28 GLU HBx 1.0 . 3.82 1105 983 A 28 GLU HBy A 28 GLU H 1.0 . 3.82 1106 984 A 27 VAL HA A 28 GLU H 1.0 . 3.56 1107 985 A 91 PHE H A 91 PHE HBy 1.0 . 3.58 1108 986 A 91 PHE H A 91 PHE HBx 1.0 . 3.62 1109 987 A 87 ARG H A 86 ASN H 1.0 . 5.17 1110 988 A 87 ARG H A 87 ARG HDx 1.0 . 5.32 1111 989 A 87 ARG H A 87 ARG HBx 1.0 . 3.58 1112 989 A 87 ARG H A 87 ARG HBy 1.0 . 3.58 1113 990 A 75 LEU H A 84 PHE HD% 1.0 . 5.50 1114 991 A 87 ARG H A 86 ASN HBx 1.0 . 4.94 1115 992 A 75 LEU H A 55 TRP HH2 1.0 . 5.50 1116 993 A 75 LEU H A 83 LEU HDx% 1.0 . 4.37 1117 994 A 18 TRP HBy A 20 ALA H 1.0 . 5.50 1118 995 A 26 LYS HGx A 19 SER H 1.0 . 4.91 1119 996 A 20 ALA H A 18 TRP HD1 1.0 . 5.30 1120 997 A 20 ALA H A 19 SER HA 1.0 . 3.10 1121 998 A 19 SER HBx A 19 SER H 1.0 . 4.00 1122 999 A 19 SER H A 27 VAL H 1.0 . 4.69 1123 1000 A 74 VAL HB A 74 VAL H 1.0 . 3.42 1124 1001 A 19 SER H A 27 VAL HGx% 1.0 . 5.31 1125 1002 A 18 TRP HBy A 19 SER H 1.0 . 5.15 1126 1003 A 76 GLU H A 55 TRP HH2 1.0 . 4.60 1127 1004 A 76 GLU H A 76 GLU HBx 1.0 . 3.67 1128 1004 A 76 GLU H A 76 GLU HBy 1.0 . 3.67 1129 1005 A 79 GLY H A 78 GLU HGx 1.0 . 5.27 1130 1006 A 92 ALA H A 108 PHE HD% 1.0 . 4.75 1131 1007 A 92 ALA H A 91 PHE HBy 1.0 . 3.96 1132 1008 A 92 ALA H A 91 PHE HBx 1.0 . 3.79 1133 1009 A 15 ASN H A 14 GLN H 1.0 . 4.60 1134 1010 A 15 ASN H A 15 ASN HD2y 1.0 . 4.95 1135 1011 A 44 LEU H A 43 ALA HA 1.0 . 3.08 1136 1012 A 44 LEU H A 44 LEU HBx 1.0 . 4.17 1137 1013 A 32 GLN H A 31 PRO HBy 1.0 . 4.54 1138 1014 A 21 GLY H A 26 LYS HGy 1.0 . 3.80 1139 1015 A 38 ASP H A 37 GLY HAx 1.0 . 3.13 1140 1016 A 33 ASN H A 32 GLN HBx 1.0 . 3.93 1141 1016 A 32 GLN HBy A 33 ASN H 1.0 . 3.93 1142 1017 A 41 LEU HDx% A 16 TYR H 1.0 . 5.50 1143 1018 A 41 LEU H A 16 TYR H 1.0 . 4.61 1144 1019 A 66 SER H A 66 SER HBy 1.0 . 3.14 1145 1020 A 62 SER H A 62 SER HBx 1.0 . 3.73 1146 1021 A 37 GLY H A 36 CYS HBx 1.0 . 3.57 1147 1021 A 36 CYS HBy A 37 GLY H 1.0 . 3.57 1148 1022 A 105 ALA H A 106 GLU H 1.0 . 5.14 1149 1023 A 63 GLN H A 61 LEU H 1.0 . 4.84 1150 1024 A 59 TYR HBy A 61 LEU H 1.0 . 5.50 1151 1025 A 110 ASN H A 109 SER HA 1.0 . 3.20 1152 1026 A 74 VAL H A 73 SER H 1.0 . 4.85 1153 1027 A 27 VAL H A 26 LYS HA 1.0 . 3.08 1154 1028 A 73 SER H A 72 CYS HBx 1.0 . 3.81 1155 1029 A 4 LEU H A 4 LEU HDx% 1.0 . 4.10 1156 1030 A 27 VAL H A 27 VAL HGx% 1.0 . 4.74 1157 1031 A 26 LYS HBy A 27 VAL H 1.0 . 4.18 1158 1032 A 22 PHE HBy A 25 SER H 1.0 . 3.49 1159 1033 A 108 PHE H A 107 PRO HA 1.0 . 2.97 1160 1034 A 26 LYS H A 27 VAL HGx% 1.0 . 5.50 1161 1035 A 67 ASP H A 67 ASP HBy 1.0 . 3.91 1162 1036 A 58 MET H A 54 ALA HA 1.0 . 3.83 1163 1037 A 30 ILE H A 16 TYR HBy 1.0 . 5.42 1164 1038 A 58 MET H A 57 VAL HGy% 1.0 . 5.50 1165 1039 A 98 LYS H A 98 LYS HBx 1.0 . 4.17 1166 1039 A 98 LYS H A 98 LYS HBy 1.0 . 4.17 1167 1040 A 72 CYS H A 71 PRO HA 1.0 . 2.84 1168 1041 A 72 CYS H A 71 PRO HBx 1.0 . 4.09 1169 1042 A 50 ASP H A 49 PRO HGx 1.0 . 4.19 1170 1042 A 50 ASP H A 49 PRO HGy 1.0 . 4.19 1171 1043 A 109 SER H A 108 PHE HA 1.0 . 3.21 1172 1044 A 111 TYR H A 111 TYR HBx 1.0 . 3.27 1173 1044 A 111 TYR H A 111 TYR HBy 1.0 . 3.27 1174 1045 A 92 ALA H A 89 ASP H 1.0 . 5.43 1175 1046 A 89 ASP H A 92 ALA HB% 1.0 . 4.95 1176 1047 A 89 ASP H A 88 GLN HBy 1.0 . 3.99 1177 1047 A 89 ASP H A 88 GLN HBx 1.0 . 3.99 1178 1048 A 40 SER H A 41 LEU H 1.0 . 4.56 1179 1049 A 57 VAL H A 56 SER HBy 1.0 . 3.55 1180 1049 A 57 VAL H A 56 SER HBx 1.0 . 3.55 1181 1050 A 99 ASN H A 96 ARG HA 1.0 . 3.74 1182 1051 A 69 GLU H A 68 ILE HB 1.0 . 3.51 1183 1052 A 69 GLU H A 69 GLU HGx 1.0 . 3.49 1184 1052 A 69 GLU H A 69 GLU HGy 1.0 . 3.49 1185 1053 A 98 LYS H A 99 ASN H 1.0 . 3.90 1186 1054 A 99 ASN HBx A 99 ASN H 1.0 . 3.81 1187 1055 A 56 SER H A 56 SER HBy 1.0 . 3.20 1188 1055 A 56 SER H A 56 SER HBx 1.0 . 3.20 1189 1056 A 56 SER H A 55 TRP HBx 1.0 . 3.89 1190 1056 A 56 SER H A 55 TRP HBy 1.0 . 3.89 1191 1057 A 56 SER H A 57 VAL HGy% 1.0 . 4.40 1192 1058 A 60 LYS H A 57 VAL HA 1.0 . 3.89 1193 1059 A 60 LYS H A 60 LYS HDx 1.0 . 4.53 1194 1059 A 60 LYS H A 60 LYS HDy 1.0 . 4.53 1195 1060 A 86 ASN H A 86 ASN HD2y 1.0 . 5.43 1196 1061 A 101 GLY H A 100 PHE HA 1.0 . 3.42 1197 1062 A 101 GLY H A 98 LYS HA 1.0 . 4.21 1198 1063 A 86 ASN HD2y A 71 PRO HDx 1.0 . 4.96 1199 1064 A 60 LYS H A 61 LEU HDy% 1.0 . 4.54 1200 1065 A 27 VAL HA A 18 TRP HE3 1.0 . 3.64 1201 1066 A 18 TRP HE3 A 27 VAL HGx% 1.0 . 4.14 1202 1067 A 41 LEU HDx% A 18 TRP HE3 1.0 . 5.50 1203 1068 A 19 SER H A 18 TRP HE3 1.0 . 4.73 1204 1069 A 63 GLN H A 63 GLN HGy 1.0 . 3.97 1205 1069 A 63 GLN H A 63 GLN HGx 1.0 . 3.97 1206 1070 A 70 VAL H A 68 ILE H 1.0 . 3.87 1207 1071 A 88 GLN HE2y A 88 GLN HBy 1.0 . 3.87 1208 1071 A 88 GLN HE2y A 88 GLN HBx 1.0 . 3.87 1209 1072 A 70 VAL H A 66 SER HA 1.0 . 3.46 1210 1073 A 90 GLU H A 93 ALA H 1.0 . 4.65 1211 1074 A 55 TRP H A 51 GLY HAx 1.0 . 4.58 1212 1074 A 55 TRP H A 51 GLY HAy 1.0 . 4.58 1213 1075 A 5 GLN HE2x A 5 GLN HGx 1.0 . 3.96 1214 1075 A 5 GLN HGy A 5 GLN HE2x 1.0 . 3.96 1215 1076 A 55 TRP H A 51 GLY H 1.0 . 4.63 1216 1077 A 96 ARG H A 95 CYS HBy 1.0 . 4.01 1217 1078 A 65 LEU H A 65 LEU HG 1.0 . 3.76 1218 1079 A 55 TRP HD1 A 55 TRP HBx 1.0 . 3.56 1219 1079 A 55 TRP HD1 A 55 TRP HBy 1.0 . 3.56 1220 1080 A 80 GLU H A 80 GLU HGy 1.0 . 4.57 1221 1081 A 102 VAL H A 101 GLY H 1.0 . 3.21 1222 1082 A 114 PHE H A 112 ASN HBy 1.0 . 4.51 1223 1083 A 47 LEU H A 48 SER H 1.0 . 4.40 1224 1084 A 47 LEU HDx% A 48 SER H 1.0 . 5.50 1225 1085 A 114 PHE H A 112 ASN HBx 1.0 . 4.90 1226 1086 A 23 ALA HA A 18 TRP HD1 1.0 . 4.70 1227 1087 A 18 TRP HBy A 18 TRP HD1 1.0 . 3.49 1228 1088 A 14 GLN H A 13 PRO HBx 1.0 . 4.41 1229 1089 A 41 LEU HDy% A 18 TRP HZ2 1.0 . 3.86 1230 1090 A 41 LEU HDx% A 18 TRP HZ2 1.0 . 4.25 1231 1091 A 55 TRP HA A 55 TRP HE3 1.0 . 3.71 1232 1092 A 55 TRP HE3 A 55 TRP HBx 1.0 . 3.43 1233 1092 A 55 TRP HBy A 55 TRP HE3 1.0 . 3.43 1234 1093 A 83 LEU HDx% A 55 TRP HE3 1.0 . 4.79 1235 1094 A 58 MET HE% A 55 TRP HE3 1.0 . 4.75 1236 1095 A 22 PHE HE% A 26 LYS HDx 1.0 . 4.73 1237 1096 A 22 PHE HE% A 26 LYS HGy 1.0 . 4.83 1238 1097 A 22 PHE HE% A 26 LYS HDy 1.0 . 5.45 1239 1098 A 19 SER HBx A 22 PHE HE% 1.0 . 4.85 1240 1099 A 92 ALA H A 91 PHE HD% 1.0 . 5.28 1241 1100 A 108 PHE H A 91 PHE HD% 1.0 . 5.50 1242 1101 A 59 TYR H A 59 TYR HD% 1.0 . 4.61 1243 1102 A 60 LYS HGy A 59 TYR HD% 1.0 . 5.00 1244 1103 A 92 ALA HB% A 96 ARG HE 1.0 . 4.41 1245 1104 A 94 THR HG2% A 108 PHE HD% 1.0 . 4.88 1246 1105 A 108 PHE HD% A 91 PHE HA 1.0 . 3.30 1247 1106 A 96 ARG HE A 96 ARG HBx 1.0 . 4.51 1248 1107 A 57 VAL HGx% A 100 PHE HD% 1.0 . 3.45 1249 1108 A 96 ARG HE A 65 LEU HDx% 1.0 . 4.26 1250 1109 A 68 ILE H A 67 ASP HBy 1.0 . 3.80 1251 1110 A 69 GLU H A 68 ILE H 1.0 . 3.24 1252 1111 A 68 ILE H A 65 LEU HA 1.0 . 3.63 1253 1112 A 86 ASN H A 86 ASN HD2x 1.0 . 5.50 1254 1113 A 68 ILE H A 68 ILE HB 1.0 . 3.79 1255 1114 A 22 PHE HD% A 19 SER H 1.0 . 4.81 1256 1115 A 19 SER HBx A 22 PHE HD% 1.0 . 3.82 1257 1116 A 26 LYS HBy A 22 PHE HD% 1.0 . 4.54 1258 1117 A 22 PHE HD% A 26 LYS HDy 1.0 . 4.42 1259 1118 A 22 PHE HD% A 26 LYS HDx 1.0 . 4.58 1260 1119 A 22 PHE HD% A 22 PHE H 1.0 . 3.54 1261 1120 A 22 PHE HD% A 22 PHE HA 1.0 . 3.41 1262 1121 A 112 ASN H A 111 TYR HD% 1.0 . 4.90 1263 1122 A 111 TYR HD% A 110 ASN HA 1.0 . 5.48 1264 1123 A 74 VAL H A 59 TYR HE% 1.0 . 4.53 1265 1124 A 59 TYR HE% A 63 GLN HGy 1.0 . 4.52 1266 1124 A 63 GLN HGx A 59 TYR HE% 1.0 . 4.52 1267 1125 A 55 TRP HH2 A 76 GLU HBx 1.0 . 3.33 1268 1125 A 55 TRP HH2 A 76 GLU HBy 1.0 . 3.33 1269 1126 A 74 VAL HGx% A 55 TRP HZ3 1.0 . 4.25 1270 1127 A 83 LEU HDx% A 55 TRP HZ3 1.0 . 3.86 1271 1128 A 33 ASN HD2x A 31 PRO HDy 1.0 . 4.81 1272 1129 A 57 VAL HGy% A 100 PHE HE% 1.0 . 5.43 1273 1130 A 32 GLN H A 33 ASN HD2x 1.0 . 5.50 1274 1131 A 112 ASN HD2x A 111 TYR HBx 1.0 . 4.99 1275 1131 A 112 ASN HD2x A 111 TYR HBy 1.0 . 4.99 1276 1132 A 16 TYR HD% A 14 GLN HBx 1.0 . 5.50 1277 1132 A 14 GLN HBy A 16 TYR HD% 1.0 . 5.50 1278 1133 A 16 TYR HD% A 27 VAL HGy% 1.0 . 4.63 1279 1134 A 27 VAL HGx% A 16 TYR HD% 1.0 . 5.50 1280 1135 A 16 TYR HE% A 41 LEU H 1.0 . 5.08 1281 1136 A 16 TYR HE% A 16 TYR H 1.0 . 4.28 1282 1137 A 16 TYR HE% A 27 VAL HB 1.0 . 3.57 1283 1138 A 41 LEU HDx% A 16 TYR HE% 1.0 . 4.14 1284 1139 A 16 TYR HE% A 41 LEU HBy 1.0 . 5.01 1285 1140 A 16 TYR HE% A 43 ALA HB% 1.0 . 3.90 1286 1141 A 16 TYR HE% A 27 VAL HGx% 1.0 . 4.62 1287 1142 A 84 PHE H A 84 PHE HD% 1.0 . 4.51 1288 1143 A 75 LEU HDy% A 84 PHE HD% 1.0 . 5.50 1289 1144 A 43 ALA HB% A 84 PHE HD% 1.0 . 5.26 1290 1145 A 41 LEU HDy% A 84 PHE HD% 1.0 . 5.50 1291 1146 A 84 PHE HD% A 27 VAL HGy% 1.0 . 5.50 1292 1147 A 44 LEU H A 84 PHE HE% 1.0 . 5.42 1293 1148 A 84 PHE H A 84 PHE HE% 1.0 . 5.03 1294 1149 A 75 LEU H A 84 PHE HE% 1.0 . 4.96 1295 1150 A 75 LEU HDy% A 84 PHE HE% 1.0 . 5.50 1296 1151 A 43 ALA HB% A 84 PHE HE% 1.0 . 4.46 1297 1152 A 84 PHE HE% A 75 LEU HBx 1.0 . 4.53 1298 1153 A 72 CYS HA A 85 VAL HA 1.0 . 4.96 1299 1154 A 19 SER H A 27 VAL HA 1.0 . 4.90 1300 1155 A 49 PRO HA A 48 SER HBy 1.0 . 2.40 1301 1156 A 113 PRO HDx A 112 ASN HA 1.0 . 2.70 1302 1157 A 22 PHE HD% A 26 LYS HA 1.0 . 4.09 1303 1158 A 26 LYS HA A 26 LYS HDx 1.0 . 3.38 1304 1159 A 50 ASP HBx A 50 ASP HA 1.0 . 2.77 1305 1160 A 67 ASP HBy A 68 ILE HA 1.0 . 4.41 1306 1161 A 41 LEU HDx% A 40 SER HA 1.0 . 5.23 1307 1162 A 41 LEU HDy% A 85 VAL HA 1.0 . 5.04 1308 1163 A 91 PHE HBx A 108 PHE HA 1.0 . 4.92 1309 1164 A 16 TYR H A 42 VAL HA 1.0 . 5.50 1310 1165 A 70 VAL H A 71 PRO HA 1.0 . 5.09 1311 1166 A 16 TYR HE% A 13 PRO HA 1.0 . 5.50 1312 1167 A 56 SER HA A 55 TRP HE3 1.0 . 5.38 1313 1168 A 15 ASN HD2y A 14 GLN HA 1.0 . 5.44 1314 1169 A 109 SER H A 107 PRO HA 1.0 . 5.17 1315 1170 A 4 LEU HA A 3 SER HBx 1.0 . 4.23 1316 1170 A 3 SER HBy A 4 LEU HA 1.0 . 4.23 1317 1171 A 88 GLN HA A 89 ASP HA 1.0 . 4.94 1318 1172 A 112 ASN HBy A 113 PRO HA 1.0 . 5.50 1319 1173 A 96 ARG HA A 96 ARG HDy 1.0 . 4.52 1320 1174 A 30 ILE HA A 33 ASN HBx 1.0 . 4.17 1321 1174 A 33 ASN HBy A 30 ILE HA 1.0 . 4.17 1322 1175 A 95 CYS HBy A 96 ARG HA 1.0 . 4.52 1323 1176 A 60 LYS HA A 60 LYS HEx 1.0 . 4.58 1324 1176 A 60 LYS HEy A 60 LYS HA 1.0 . 4.58 1325 1177 A 61 LEU HDy% A 60 LYS HA 1.0 . 5.21 1326 1178 A 73 SER HBy A 83 LEU HA 1.0 . 4.62 1327 1179 A 67 ASP H A 66 SER HBy 1.0 . 4.83 1328 1180 A 54 ALA HB% A 51 GLY HAx 1.0 . 4.90 1329 1180 A 54 ALA HB% A 51 GLY HAy 1.0 . 4.90 1330 1181 A 59 TYR HA A 62 SER HBy 1.0 . 4.18 1331 1182 A 59 TYR HD% A 62 SER HBy 1.0 . 4.91 1332 1183 A 41 LEU H A 40 SER HBx 1.0 . 5.29 1333 1184 A 91 PHE H A 92 ALA HA 1.0 . 5.48 1334 1185 A 108 PHE HD% A 95 CYS HA 1.0 . 4.99 1335 1186 A 59 TYR HD% A 62 SER HBx 1.0 . 5.13 1336 1187 A 41 LEU HA A 87 ARG HA 1.0 . 4.61 1337 1188 A 8 ILE H A 7 SER HBy 1.0 . 4.26 1338 1189 A 6 LEU HDy% A 3 SER HBx 1.0 . 4.06 1339 1189 A 3 SER HBy A 6 LEU HDy% 1.0 . 4.06 1340 1190 A 5 GLN H A 3 SER HBx 1.0 . 3.91 1341 1190 A 3 SER HBy A 5 GLN H 1.0 . 3.91 1342 1191 A 16 TYR HD% A 29 PRO HDy 1.0 . 4.93 1343 1192 A 28 GLU HA A 29 PRO HDy 1.0 . 3.80 1344 1193 A 64 ALA HB% A 61 LEU HA 1.0 . 3.93 1345 1194 A 109 SER H A 109 SER HBy 1.0 . 3.68 1346 1195 A 34 GLY HAy A 35 PRO HDx 1.0 . 2.40 1347 1195 A 34 GLY HAy A 35 PRO HDy 1.0 . 2.40 1348 1196 A 58 MET HE% A 55 TRP HA 1.0 . 2.89 1349 1197 A 6 LEU HBy A 49 PRO HDx 1.0 . 3.70 1350 1197 A 6 LEU HBx A 49 PRO HDx 1.0 . 3.70 1351 1197 A 49 PRO HDy A 6 LEU HBx 1.0 . 3.70 1352 1197 A 6 LEU HBy A 49 PRO HDy 1.0 . 3.70 1353 1198 A 106 GLU H A 107 PRO HDy 1.0 . 5.01 1354 1199 A 22 PHE HE% A 21 GLY HAy 1.0 . 4.86 1355 1200 A 21 GLY HAy A 26 LYS HGy 1.0 . 5.15 1356 1201 A 47 LEU HDy% A 48 SER HBx 1.0 . 3.90 1357 1202 A 61 LEU HDy% A 100 PHE HBy 1.0 . 5.20 1358 1203 A 100 PHE HBy A 100 PHE H 1.0 . 4.10 1359 1204 A 55 TRP HZ3 A 55 TRP HBx 1.0 . 5.04 1360 1204 A 55 TRP HZ3 A 55 TRP HBy 1.0 . 5.04 1361 1205 A 54 ALA HB% A 55 TRP HBx 1.0 . 5.31 1362 1205 A 54 ALA HB% A 55 TRP HBy 1.0 . 5.31 1363 1206 A 18 TRP HBy A 21 GLY H 1.0 . 5.23 1364 1207 A 65 LEU HDx% A 96 ARG HDy 1.0 . 4.67 1365 1208 A 87 ARG HDy A 87 ARG HBx 1.0 . 3.36 1366 1208 A 87 ARG HBy A 87 ARG HDy 1.0 . 3.36 1367 1209 A 108 PHE H A 108 PHE HBx 1.0 . 3.83 1368 1210 A 73 SER H A 72 CYS HBy 1.0 . 3.77 1369 1211 A 72 CYS HBy A 85 VAL HGy% 1.0 . 3.51 1370 1212 A 83 LEU HDx% A 72 CYS HBy 1.0 . 5.23 1371 1213 A 86 ASN HBy A 86 ASN HD2y 1.0 . 4.04 1372 1214 A 50 ASP HBy A 51 GLY HAx 1.0 . 4.88 1373 1214 A 50 ASP HBy A 51 GLY HAy 1.0 . 4.88 1374 1215 A 39 ASN HBx A 37 GLY H 1.0 . 4.05 1375 1216 A 36 CYS HA A 36 CYS HBx 1.0 . 2.90 1376 1216 A 36 CYS HBy A 36 CYS HA 1.0 . 2.90 1377 1217 A 99 ASN HBx A 96 ARG HA 1.0 . 4.23 1378 1218 A 53 ASN HBx A 54 ALA HB% 1.0 . 4.70 1379 1219 A 88 GLN HE2x A 38 ASP HBy 1.0 . 5.42 1380 1220 A 95 CYS H A 95 CYS HBy 1.0 . 3.85 1381 1221 A 41 LEU HDy% A 84 PHE HBy 1.0 . 5.50 1382 1222 A 38 ASP HBx A 88 GLN HE2x 1.0 . 4.15 1383 1223 A 62 SER HBy A 72 CYS HBx 1.0 . 4.51 1384 1224 A 15 ASN HBx A 30 ILE HD1% 1.0 . 3.98 1385 1225 A 74 VAL HGy% A 72 CYS HBx 1.0 . 4.12 1386 1226 A 89 ASP HA A 88 GLN HGy 1.0 . 5.44 1387 1227 A 26 LYS HGy A 26 LYS HEy 1.0 . 3.77 1388 1228 A 26 LYS HGx A 26 LYS HEy 1.0 . 3.46 1389 1229 A 88 GLN HGy A 88 GLN HBy 1.0 . 2.83 1390 1229 A 88 GLN HGy A 88 GLN HBx 1.0 . 2.83 1391 1230 A 5 GLN H A 5 GLN HGx 1.0 . 3.99 1392 1230 A 5 GLN HGy A 5 GLN H 1.0 . 3.99 1393 1231 A 59 TYR HD% A 63 GLN HGy 1.0 . 4.67 1394 1231 A 59 TYR HD% A 63 GLN HGx 1.0 . 4.67 1395 1232 A 72 CYS H A 71 PRO HBy 1.0 . 3.79 1396 1233 A 68 ILE HB A 68 ILE HA 1.0 . 3.00 1397 1234 A 15 ASN H A 14 GLN HGy 1.0 . 4.67 1398 1235 A 78 GLU HBy A 80 GLU HBx 1.0 . 4.43 1399 1235 A 78 GLU HBy A 80 GLU HBy 1.0 . 4.43 1400 1236 A 93 ALA HB% A 90 GLU HGx 1.0 . 5.02 1401 1236 A 93 ALA HB% A 90 GLU HGy 1.0 . 5.02 1402 1237 A 68 ILE HG2% A 69 GLU HGx 1.0 . 4.49 1403 1237 A 69 GLU HGy A 68 ILE HG2% 1.0 . 4.49 1404 1238 A 90 GLU H A 85 VAL HB 1.0 . 4.07 1405 1239 A 64 ALA H A 63 GLN HBx 1.0 . 3.87 1406 1240 A 69 GLU HA A 69 GLU HGx 1.0 . 3.21 1407 1240 A 69 GLU HA A 69 GLU HGy 1.0 . 3.21 1408 1241 A 75 LEU HA A 76 GLU HBx 1.0 . 4.76 1409 1241 A 75 LEU HA A 76 GLU HBy 1.0 . 4.76 1410 1242 A 78 GLU HBx A 78 GLU HGy 1.0 . 2.40 1411 1243 A 107 PRO HBy A 108 PHE HA 1.0 . 5.45 1412 1244 A 90 GLU H A 90 GLU HBx 1.0 . 3.95 1413 1244 A 90 GLU H A 90 GLU HBy 1.0 . 3.95 1414 1245 A 106 GLU HBy A 107 PRO HDx 1.0 . 2.52 1415 1246 A 16 TYR HE% A 13 PRO HBx 1.0 . 4.72 1416 1247 A 98 LYS HBy A 98 LYS HEx 1.0 . 4.68 1417 1247 A 98 LYS HEy A 98 LYS HBx 1.0 . 4.68 1418 1247 A 98 LYS HBy A 98 LYS HEy 1.0 . 4.68 1419 1247 A 98 LYS HBx A 98 LYS HEx 1.0 . 4.68 1420 1248 A 69 GLU H A 70 VAL HB 1.0 . 5.30 1421 1249 A 41 LEU HDy% A 87 ARG HBx 1.0 . 5.45 1422 1249 A 41 LEU HDy% A 87 ARG HBy 1.0 . 5.45 1423 1250 A 59 TYR H A 58 MET HE% 1.0 . 4.22 1424 1251 A 113 PRO HGy A 114 PHE HD% 1.0 . 5.49 1425 1252 A 97 LEU HBy A 97 LEU HG 1.0 . 2.76 1426 1253 A 17 ARG HBx A 17 ARG HDy 1.0 . 3.01 1427 1254 A 59 TYR HA A 58 MET HGx 1.0 . 5.15 1428 1255 A 88 GLN HE2y A 87 ARG HGx 1.0 . 4.87 1429 1255 A 87 ARG HGy A 88 GLN HE2y 1.0 . 4.87 1430 1256 A 22 PHE HBx A 26 LYS HBx 1.0 . 4.17 1431 1257 A 109 SER HBy A 113 PRO HGx 1.0 . 2.79 1432 1258 A 75 LEU HG A 75 LEU HBy 1.0 . 2.40 1433 1259 A 30 ILE HD1% A 30 ILE HB 1.0 . 3.01 1434 1260 A 8 ILE HB A 9 VAL HA 1.0 . 4.67 1435 1261 A 92 ALA HB% A 89 ASP HBx 1.0 . 4.96 1436 1262 A 21 GLY H A 20 ALA HB% 1.0 . 4.14 1437 1263 A 19 SER HA A 20 ALA HB% 1.0 . 3.82 1438 1264 A 104 ILE H A 103 ALA HB% 1.0 . 3.76 1439 1265 A 48 SER H A 47 LEU HG 1.0 . 5.50 1440 1266 A 89 ASP HA A 93 ALA HB% 1.0 . 5.50 1441 1267 A 41 LEU HBy A 41 LEU HG 1.0 . 2.72 1442 1268 A 54 ALA HB% A 50 ASP HBy 1.0 . 5.50 1443 1269 A 54 ALA HB% A 50 ASP HBx 1.0 . 5.50 1444 1270 A 84 PHE HBx A 41 LEU HBx 1.0 . 4.85 1445 1271 A 16 TYR HD% A 41 LEU HBx 1.0 . 5.50 1446 1272 A 41 LEU HDx% A 41 LEU HBx 1.0 . 4.21 1447 1273 A 94 THR HG2% A 90 GLU HBx 1.0 . 4.41 1448 1273 A 94 THR HG2% A 90 GLU HBy 1.0 . 4.41 1449 1274 A 97 LEU HBx A 94 THR HA 1.0 . 2.98 1450 1275 A 62 SER H A 61 LEU HBx 1.0 . 3.46 1451 1276 A 68 ILE HG1x A 68 ILE H 1.0 . 3.23 1452 1277 A 41 LEU HG A 17 ARG HA 1.0 . 2.65 1453 1278 A 84 PHE HD% A 75 LEU HDx% 1.0 . 5.21 1454 1279 A 27 VAL HGx% A 26 LYS HDx 1.0 . 5.50 1455 1280 A 57 VAL H A 57 VAL HGy% 1.0 . 3.79 1456 1281 A 57 VAL HA A 57 VAL HGy% 1.0 . 3.43 1457 1282 A 18 TRP HBy A 23 ALA HB% 1.0 . 4.89 1458 1283 A 89 ASP HBy A 70 VAL HGx% 1.0 . 3.45 1459 1284 A 68 ILE H A 68 ILE HG2% 1.0 . 3.71 1460 1285 A 68 ILE HA A 68 ILE HG2% 1.0 . 3.04 1461 1286 A 30 ILE HG2% A 30 ILE HA 1.0 . 3.01 1462 1287 A 30 ILE HG2% A 33 ASN HD2y 1.0 . 3.68 1463 1288 A 102 VAL HGx% A 102 VAL HA 1.0 . 3.61 1464 1289 A 97 LEU HA A 97 LEU HDy% 1.0 . 3.23 1465 1290 A 57 VAL HGx% A 57 VAL HA 1.0 . 3.23 1466 1291 A 74 VAL HGx% A 58 MET HGy 1.0 . 3.37 1467 1292 A 74 VAL HGx% A 74 VAL HA 1.0 . 3.87 1468 1293 A 68 ILE HD1% A 68 ILE HA 1.0 . 3.61 1469 1294 A 74 VAL HGx% A 59 TYR HBx 1.0 . 3.61 1470 1295 A 70 VAL HGy% A 70 VAL HA 1.0 . 3.09 1471 1296 A 65 LEU HDy% A 62 SER HA 1.0 . 3.61 1472 1297 A 104 ILE H A 104 ILE HG2% 1.0 . 3.87 1473 1298 A 30 ILE HD1% A 16 TYR HA 1.0 . 4.47 1474 1299 A 87 ARG HA A 42 VAL HGx% 1.0 . 3.15 1475 1300 A 85 VAL H A 85 VAL HGy% 1.0 . 3.69 1476 1301 A 65 LEU HA A 65 LEU HDx% 1.0 . 3.20 1477 1302 A 87 ARG HA A 42 VAL HGy% 1.0 . 3.12 1478 1303 A 61 LEU HA A 61 LEU HDx% 1.0 . 3.85 1479 1304 A 9 VAL HA A 9 VAL HGx% 1.0 . 4.22 1480 1304 A 9 VAL HGy% A 9 VAL HA 1.0 . 4.22 1481 1305 A 104 ILE HB A 104 ILE HD1% 1.0 . 3.40 1482 1306 A 75 LEU HDy% A 27 VAL HGx% 1.0 . 4.32 1483 1307 A 61 LEU HDy% A 61 LEU H 1.0 . 4.15 1484 1308 A 83 LEU HDx% A 74 VAL HA 1.0 . 3.95 1485 1309 A 60 LYS HBy A 61 LEU HDy% 1.0 . 3.83 1486 1310 A 47 LEU HDx% A 47 LEU HA 1.0 . 3.74 1487 1311 A 47 LEU HDx% A 47 LEU HBx 1.0 . 3.74 1488 1312 A 43 ALA HB% A 42 VAL HA 1.0 . 4.56 1489 1313 A 85 VAL HGx% A 85 VAL H 1.0 . 3.39 1490 1314 A 83 LEU HA A 83 LEU HDy% 1.0 . 3.95 1491 1315 A 85 VAL HGx% A 85 VAL HA 1.0 . 3.80 1492 1316 A 105 ALA HB% A 44 LEU HDy% 1.0 . 4.54 1493 1317 A 41 LEU HDy% A 87 ARG H 1.0 . 4.65 1494 1318 A 41 LEU HDy% A 85 VAL H 1.0 . 5.33 1495 1319 A 41 LEU HDy% A 86 ASN HBy 1.0 . 5.08 1496 1320 A 41 LEU HDy% A 86 ASN HBx 1.0 . 5.50 1497 1321 A 41 LEU HDy% A 16 TYR HE% 1.0 . 5.04 1498 1322 A 41 LEU HDy% A 84 PHE HA 1.0 . 5.45 1499 1323 A 41 LEU HDy% A 40 SER HA 1.0 . 4.52 1500 1324 A 28 GLU HA A 27 VAL HGy% 1.0 . 5.09 1501 1325 A 41 LEU HDy% A 27 VAL HGx% 1.0 . 5.50 1502 1326 A 27 VAL HGx% A 84 PHE HE% 1.0 . 5.50 1503 1327 A 41 LEU HDx% A 16 TYR HBy 1.0 . 5.50 1504 1328 A 41 LEU HDx% A 84 PHE HBx 1.0 . 5.26 1505 1329 A 41 LEU HDx% A 84 PHE HBy 1.0 . 5.43 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 hbond _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 56 SER H A 52 ASP O 1.0 . 2.0 2 2 A 52 ASP O A 56 SER N 1.0 . 3.0 3 3 A 57 VAL H A 53 ASN O 1.0 . 2.0 4 4 A 53 ASN O A 57 VAL N 1.0 . 3.0 5 5 A 58 MET H A 54 ALA O 1.0 . 2.0 6 6 A 54 ALA O A 58 MET N 1.0 . 3.0 7 7 A 59 TYR H A 55 TRP O 1.0 . 2.0 8 8 A 55 TRP O A 59 TYR N 1.0 . 3.0 9 9 A 60 LYS H A 56 SER O 1.0 . 2.0 10 10 A 56 SER O A 60 LYS N 1.0 . 3.0 11 11 A 61 LEU H A 57 VAL O 1.0 . 2.0 12 12 A 57 VAL O A 61 LEU N 1.0 . 3.0 13 13 A 62 SER H A 58 MET O 1.0 . 2.0 14 14 A 58 MET O A 62 SER N 1.0 . 3.0 15 15 A 63 GLN H A 59 TYR O 1.0 . 2.0 16 16 A 59 TYR O A 63 GLN N 1.0 . 3.0 17 17 A 64 ALA H A 60 LYS O 1.0 . 2.0 18 18 A 60 LYS O A 64 ALA N 1.0 . 3.0 19 19 A 65 LEU H A 61 LEU O 1.0 . 2.0 20 20 A 61 LEU O A 65 LEU N 1.0 . 3.0 21 21 A 66 SER H A 62 SER O 1.0 . 2.0 22 22 A 62 SER O A 66 SER N 1.0 . 3.0 23 23 A 67 ASP H A 63 GLN O 1.0 . 2.0 24 24 A 63 GLN O A 67 ASP N 1.0 . 3.0 25 25 A 92 ALA H A 88 GLN O 1.0 . 2.0 26 26 A 88 GLN O A 92 ALA N 1.0 . 3.0 27 27 A 93 ALA H A 89 ASP O 1.0 . 2.0 28 28 A 89 ASP O A 93 ALA N 1.0 . 3.0 29 29 A 94 THR H A 90 GLU O 1.0 . 2.0 30 30 A 90 GLU O A 94 THR N 1.0 . 3.0 31 31 A 95 CYS H A 91 PHE O 1.0 . 2.0 32 32 A 91 PHE O A 95 CYS N 1.0 . 3.0 33 33 A 96 ARG H A 92 ALA O 1.0 . 2.0 34 34 A 92 ALA O A 96 ARG N 1.0 . 3.0 35 35 A 97 LEU H A 93 ALA O 1.0 . 2.0 36 36 A 93 ALA O A 97 LEU N 1.0 . 3.0 37 37 A 82 CYS H A 75 LEU O 1.0 . 2.0 38 38 A 75 LEU O A 82 CYS N 1.0 . 3.0 39 39 A 75 LEU H A 82 CYS O 1.0 . 2.0 40 40 A 82 CYS O A 75 LEU N 1.0 . 3.0 41 41 A 73 SER H A 84 PHE O 1.0 . 2.0 42 42 A 84 PHE O A 73 SER N 1.0 . 3.0 43 43 A 84 PHE H A 73 SER O 1.0 . 2.0 44 44 A 73 SER O A 84 PHE N 1.0 . 3.0 45 45 A 42 VAL H A 85 VAL O 1.0 . 2.0 46 46 A 85 VAL O A 42 VAL N 1.0 . 3.0 47 47 A 85 VAL H A 42 VAL O 1.0 . 2.0 48 48 A 42 VAL O A 85 VAL N 1.0 . 3.0 49 49 A 44 LEU H A 83 LEU O 1.0 . 2.0 50 50 A 83 LEU O A 44 LEU N 1.0 . 3.0 51 51 A 83 LEU H A 44 LEU O 1.0 . 2.0 52 52 A 44 LEU O A 83 LEU N 1.0 . 3.0 53 53 A 17 ARG H A 28 GLU O 1.0 . 2.0 54 54 A 28 GLU O A 17 ARG N 1.0 . 3.0 55 55 A 28 GLU H A 17 ARG O 1.0 . 2.0 56 56 A 17 ARG O A 28 GLU N 1.0 . 3.0 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 6 LEU C A 7 SER N A 7 SER CA A 7 SER C 1.0 -171.0 -42.0 PHI 2 2 A 7 SER N A 7 SER CA A 7 SER C A 8 ILE N 1.0 112.0 169.0 PSI 3 3 A 7 SER C A 8 ILE N A 8 ILE CA A 8 ILE C 1.0 -153.0 -95.0 PHI 4 4 A 8 ILE N A 8 ILE CA A 8 ILE C A 9 VAL N 1.0 104.0 169.0 PSI 5 5 A 8 ILE C A 9 VAL N A 9 VAL CA A 9 VAL C 1.0 -146.0 -108.0 PHI 6 6 A 9 VAL N A 9 VAL CA A 9 VAL C A 10 HIS N 1.0 114.0 178.0 PSI 7 7 A 15 ASN C A 16 TYR N A 16 TYR CA A 16 TYR C 1.0 -174.0 -88.0 PHI 8 8 A 16 TYR N A 16 TYR CA A 16 TYR C A 17 ARG N 1.0 143.0 175.0 PSI 9 9 A 16 TYR C A 17 ARG N A 17 ARG CA A 17 ARG C 1.0 -180.0 -83.0 PHI 10 10 A 17 ARG N A 17 ARG CA A 17 ARG C A 18 TRP N 1.0 137.0 175.0 PSI 11 11 A 17 ARG C A 18 TRP N A 18 TRP CA A 18 TRP C 1.0 -149.0 -66.0 PHI 12 12 A 18 TRP N A 18 TRP CA A 18 TRP C A 19 SER N 1.0 120.0 162.0 PSI 13 13 A 24 GLY C A 25 SER N A 25 SER CA A 25 SER C 1.0 -149.0 -33.0 PHI 14 14 A 25 SER N A 25 SER CA A 25 SER C A 26 LYS N 1.0 75.0 205.0 PSI 15 15 A 25 SER C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -158.0 -69.0 PHI 16 16 A 26 LYS N A 26 LYS CA A 26 LYS C A 27 VAL N 1.0 124.0 183.0 PSI 17 17 A 26 LYS C A 27 VAL N A 27 VAL CA A 27 VAL C 1.0 -153.0 -116.0 PHI 18 18 A 27 VAL N A 27 VAL CA A 27 VAL C A 28 GLU N 1.0 133.0 190.0 PSI 19 19 A 27 VAL C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -163.0 -88.0 PHI 20 20 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 PRO N 1.0 81.0 187.0 PSI 21 21 A 39 ASN C A 40 SER N A 40 SER CA A 40 SER C 1.0 -155.0 -22.0 PHI 22 22 A 40 SER N A 40 SER CA A 40 SER C A 41 LEU N 1.0 90.0 192.0 PSI 23 23 A 40 SER C A 41 LEU N A 41 LEU CA A 41 LEU C 1.0 -152.0 -89.0 PHI 24 24 A 41 LEU N A 41 LEU CA A 41 LEU C A 42 VAL N 1.0 138.0 169.0 PSI 25 25 A 41 LEU C A 42 VAL N A 42 VAL CA A 42 VAL C 1.0 -153.0 -75.0 PHI 26 26 A 42 VAL N A 42 VAL CA A 42 VAL C A 43 ALA N 1.0 107.0 153.0 PSI 27 27 A 42 VAL C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -141.0 -103.0 PHI 28 28 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 LEU N 1.0 118.0 169.0 PSI 29 29 A 43 ALA C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -126.0 -70.0 PHI 30 30 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 LYS N 1.0 95.0 151.0 PSI 31 31 A 44 LEU C A 45 LYS N A 45 LYS CA A 45 LYS C 1.0 -152.0 -52.0 PHI 32 32 A 45 LYS N A 45 LYS CA A 45 LYS C A 46 LEU N 1.0 88.0 171.0 PSI 33 33 A 45 LYS C A 46 LEU N A 46 LEU CA A 46 LEU C 1.0 -109.0 -44.0 PHI 34 34 A 46 LEU N A 46 LEU CA A 46 LEU C A 47 LEU N 1.0 77.0 154.0 PSI 35 35 A 51 GLY C A 52 ASP N A 52 ASP CA A 52 ASP C 1.0 -75.0 -47.0 PHI 36 36 A 52 ASP N A 52 ASP CA A 52 ASP C A 53 ASN N 1.0 -64.0 -9.0 PSI 37 37 A 52 ASP C A 53 ASN N A 53 ASN CA A 53 ASN C 1.0 -74.0 -54.0 PHI 38 38 A 53 ASN N A 53 ASN CA A 53 ASN C A 54 ALA N 1.0 -51.0 -31.0 PSI 39 39 A 53 ASN C A 54 ALA N A 54 ALA CA A 54 ALA C 1.0 -101.0 -25.0 PHI 40 40 A 54 ALA N A 54 ALA CA A 54 ALA C A 55 TRP N 1.0 -83.0 -4.0 PSI 41 41 A 54 ALA C A 55 TRP N A 55 TRP CA A 55 TRP C 1.0 -77.0 -49.0 PHI 42 42 A 55 TRP N A 55 TRP CA A 55 TRP C A 56 SER N 1.0 -58.0 -15.0 PSI 43 43 A 55 TRP C A 56 SER N A 56 SER CA A 56 SER C 1.0 -79.0 -54.0 PHI 44 44 A 56 SER N A 56 SER CA A 56 SER C A 57 VAL N 1.0 -51.0 -29.0 PSI 45 45 A 56 SER C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -74.0 -51.0 PHI 46 46 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 MET N 1.0 -53.0 -33.0 PSI 47 47 A 57 VAL C A 58 MET N A 58 MET CA A 58 MET C 1.0 -70.0 -50.0 PHI 48 48 A 58 MET N A 58 MET CA A 58 MET C A 59 TYR N 1.0 -63.0 -19.0 PSI 49 49 A 58 MET C A 59 TYR N A 59 TYR CA A 59 TYR C 1.0 -76.0 -55.0 PHI 50 50 A 59 TYR N A 59 TYR CA A 59 TYR C A 60 LYS N 1.0 -52.0 -26.0 PSI 51 51 A 59 TYR C A 60 LYS N A 60 LYS CA A 60 LYS C 1.0 -74.0 -54.0 PHI 52 52 A 60 LYS N A 60 LYS CA A 60 LYS C A 61 LEU N 1.0 -52.0 -32.0 PSI 53 53 A 60 LYS C A 61 LEU N A 61 LEU CA A 61 LEU C 1.0 -75.0 -50.0 PHI 54 54 A 61 LEU N A 61 LEU CA A 61 LEU C A 62 SER N 1.0 -58.0 -18.0 PSI 55 55 A 61 LEU C A 62 SER N A 62 SER CA A 62 SER C 1.0 -73.0 -53.0 PHI 56 56 A 62 SER N A 62 SER CA A 62 SER C A 63 GLN N 1.0 -50.0 -22.0 PSI 57 57 A 62 SER C A 63 GLN N A 63 GLN CA A 63 GLN C 1.0 -73.0 -53.0 PHI 58 58 A 63 GLN N A 63 GLN CA A 63 GLN C A 64 ALA N 1.0 -53.0 -33.0 PSI 59 59 A 63 GLN C A 64 ALA N A 64 ALA CA A 64 ALA C 1.0 -73.0 -53.0 PHI 60 60 A 64 ALA N A 64 ALA CA A 64 ALA C A 65 LEU N 1.0 -51.0 -31.0 PSI 61 61 A 64 ALA C A 65 LEU N A 65 LEU CA A 65 LEU C 1.0 -76.0 -56.0 PHI 62 62 A 65 LEU N A 65 LEU CA A 65 LEU C A 66 SER N 1.0 -50.0 -26.0 PSI 63 63 A 65 LEU C A 66 SER N A 66 SER CA A 66 SER C 1.0 -77.0 -51.0 PHI 64 64 A 66 SER N A 66 SER CA A 66 SER C A 67 ASP N 1.0 -58.0 -23.0 PSI 65 65 A 71 PRO C A 72 CYS N A 72 CYS CA A 72 CYS C 1.0 -178.0 -62.0 PHI 66 66 A 72 CYS N A 72 CYS CA A 72 CYS C A 73 SER N 1.0 143.0 175.0 PSI 67 67 A 72 CYS C A 73 SER N A 73 SER CA A 73 SER C 1.0 -176.0 -105.0 PHI 68 68 A 73 SER N A 73 SER CA A 73 SER C A 74 VAL N 1.0 111.0 169.0 PSI 69 69 A 73 SER C A 74 VAL N A 74 VAL CA A 74 VAL C 1.0 -134.0 -71.0 PHI 70 70 A 74 VAL N A 74 VAL CA A 74 VAL C A 75 LEU N 1.0 104.0 151.0 PSI 71 71 A 74 VAL C A 75 LEU N A 75 LEU CA A 75 LEU C 1.0 -158.0 -95.0 PHI 72 72 A 75 LEU N A 75 LEU CA A 75 LEU C A 76 GLU N 1.0 129.0 165.0 PSI 73 73 A 75 LEU C A 76 GLU N A 76 GLU CA A 76 GLU C 1.0 -119.0 -58.0 PHI 74 74 A 76 GLU N A 76 GLU CA A 76 GLU C A 77 CYS N 1.0 101.0 154.0 PSI 75 75 A 76 GLU C A 77 CYS N A 77 CYS CA A 77 CYS C 1.0 -175.0 -47.0 PHI 76 76 A 77 CYS N A 77 CYS CA A 77 CYS C A 78 GLU N 1.0 91.0 146.0 PSI 77 77 A 82 CYS C A 83 LEU N A 83 LEU CA A 83 LEU C 1.0 -146.0 -69.0 PHI 78 78 A 83 LEU N A 83 LEU CA A 83 LEU C A 84 PHE N 1.0 111.0 156.0 PSI 79 79 A 83 LEU C A 84 PHE N A 84 PHE CA A 84 PHE C 1.0 -146.0 -72.0 PHI 80 80 A 84 PHE N A 84 PHE CA A 84 PHE C A 85 VAL N 1.0 102.0 178.0 PSI 81 81 A 89 ASP C A 90 GLU N A 90 GLU CA A 90 GLU C 1.0 -81.0 -39.0 PHI 82 82 A 90 GLU N A 90 GLU CA A 90 GLU C A 91 PHE N 1.0 -65.0 -12.0 PSI 83 83 A 90 GLU C A 91 PHE N A 91 PHE CA A 91 PHE C 1.0 -99.0 -38.0 PHI 84 84 A 91 PHE N A 91 PHE CA A 91 PHE C A 92 ALA N 1.0 -73.0 0.0 PSI 85 85 A 91 PHE C A 92 ALA N A 92 ALA CA A 92 ALA C 1.0 -73.0 -53.0 PHI 86 86 A 92 ALA N A 92 ALA CA A 92 ALA C A 93 ALA N 1.0 -54.0 -31.0 PSI 87 87 A 92 ALA C A 93 ALA N A 93 ALA CA A 93 ALA C 1.0 -76.0 -56.0 PHI 88 88 A 93 ALA N A 93 ALA CA A 93 ALA C A 94 THR N 1.0 -45.0 -25.0 PSI 89 89 A 93 ALA C A 94 THR N A 94 THR CA A 94 THR C 1.0 -76.0 -56.0 PHI 90 90 A 94 THR N A 94 THR CA A 94 THR C A 95 CYS N 1.0 -56.0 -31.0 PSI 91 91 A 94 THR C A 95 CYS N A 95 CYS CA A 95 CYS C 1.0 -72.0 -52.0 PHI 92 92 A 95 CYS N A 95 CYS CA A 95 CYS C A 96 ARG N 1.0 -48.0 -26.0 PSI 93 93 A 95 CYS C A 96 ARG N A 96 ARG CA A 96 ARG C 1.0 -78.0 -52.0 PHI 94 94 A 96 ARG N A 96 ARG CA A 96 ARG C A 97 LEU N 1.0 -56.0 -16.0 PSI 95 95 A 96 ARG C A 97 LEU N A 97 LEU CA A 97 LEU C 1.0 -76.0 -56.0 PHI 96 96 A 97 LEU N A 97 LEU CA A 97 LEU C A 98 LYS N 1.0 -52.0 -13.0 PSI 97 97 A 97 LEU C A 98 LYS N A 98 LYS CA A 98 LYS C 1.0 -83.0 -51.0 PHI 98 98 A 98 LYS N A 98 LYS CA A 98 LYS C A 99 ASN N 1.0 -65.0 -12.0 PSI 99 99 A 98 LYS C A 99 ASN N A 99 ASN CA A 99 ASN C 1.0 -86.0 -46.0 PHI 100 100 A 99 ASN N A 99 ASN CA A 99 ASN C A 100 PHE N 1.0 -52.0 -15.0 PSI 101 101 A 99 ASN C A 100 PHE N A 100 PHE CA A 100 PHE C 1.0 -95.0 -69.0 PHI 102 102 A 100 PHE N A 100 PHE CA A 100 PHE C A 101 GLY N 1.0 -27.0 20.0 PSI 103 103 A 101 GLY C A 102 VAL N A 102 VAL CA A 102 VAL C 1.0 -124.0 -71.0 PHI 104 104 A 102 VAL N A 102 VAL CA A 102 VAL C A 103 ALA N 1.0 86.0 169.0 PSI 105 105 A 102 VAL C A 103 ALA N A 103 ALA CA A 103 ALA C 1.0 -143.0 -77.0 PHI 106 106 A 103 ALA N A 103 ALA CA A 103 ALA C A 104 ILE N 1.0 112.0 176.0 PSI 107 107 A 103 ALA C A 104 ILE N A 104 ILE CA A 104 ILE C 1.0 -137.0 -50.0 PHI 108 108 A 104 ILE N A 104 ILE CA A 104 ILE C A 105 ALA N 1.0 83.0 156.0 PSI 109 109 A 105 ALA C A 106 GLU N A 106 GLU CA A 106 GLU C 1.0 -115.0 -48.0 PHI stop_ save_