data_nef_c17668_2ldi save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2OFG PDB 2OFH 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 6 PRO start . false 2 A 7 LEU middle . . 3 A 8 LYS middle . . 4 A 9 THR middle . . 5 A 10 GLN middle . . 6 A 11 GLN middle . . 7 A 12 MET middle . . 8 A 13 GLN middle . . 9 A 14 VAL middle . . 10 A 15 GLY middle . false 11 A 16 GLY middle . false 12 A 17 MET middle . . 13 A 18 ARG middle . . 14 A 19 CYS middle . . 15 A 20 ALA middle . . 16 A 21 ALA middle . . 17 A 22 CYS middle . . 18 A 23 ALA middle . . 19 A 24 SER middle . . 20 A 25 SER middle . . 21 A 26 ILE middle . . 22 A 27 GLU middle . . 23 A 28 ARG middle . . 24 A 29 ALA middle . . 25 A 30 LEU middle . . 26 A 31 GLU middle . . 27 A 32 ARG middle . . 28 A 33 LEU middle . . 29 A 34 LYS middle . . 30 A 35 GLY middle . false 31 A 36 VAL middle . . 32 A 37 ALA middle . . 33 A 38 GLU middle . . 34 A 39 ALA middle . . 35 A 40 SER middle . . 36 A 41 VAL middle . . 37 A 42 THR middle . . 38 A 43 VAL middle . . 39 A 44 ALA middle . . 40 A 45 THR middle . . 41 A 46 GLY middle . false 42 A 47 ARG middle . . 43 A 48 LEU middle . . 44 A 49 THR middle . . 45 A 50 VAL middle . . 46 A 51 THR middle . . 47 A 52 TYR middle . . 48 A 53 ASP middle . . 49 A 54 PRO middle . false 50 A 55 LYS middle . . 51 A 56 GLN middle . . 52 A 57 VAL middle . . 53 A 58 SER middle . . 54 A 59 GLU middle . . 55 A 60 ILE middle . . 56 A 61 THR middle . . 57 A 62 ILE middle . . 58 A 63 GLN middle . . 59 A 64 GLU middle . . 60 A 65 ARG middle . . 61 A 66 ILE middle . . 62 A 67 ALA middle . . 63 A 68 ALA middle . . 64 A 69 LEU middle . . 65 A 70 GLY middle . false 66 A 71 TYR middle . . 67 A 72 THR middle . . 68 A 73 LEU middle . . 69 A 74 ALA middle . . 70 A 75 GLU middle . . 71 A 76 PRO middle . false 72 A 77 LYS middle . . 73 A 78 SER middle . . 74 A 79 SER middle . . 75 A 80 VAL middle . . 76 A 81 THR middle . . 77 A 82 LEU middle . . 78 A 83 ASN middle . . 79 A 84 GLY middle . false 80 A 85 HIS middle . . 81 A 86 LYS middle . . 82 A 87 HIS middle . . 83 A 88 PRO middle . false 84 A 89 HIS middle . . 85 A 90 SER middle . . 86 A 91 HIS middle . . 87 A 92 ARG middle . . 88 A 93 GLU middle . . 89 A 94 GLU middle . . 90 A 95 GLY middle . false 91 A 96 HIS middle . . 92 A 97 SER middle . . 93 A 98 HIS middle . . 94 A 99 SER middle . . 95 A 100 HIS middle . . 96 A 101 GLY middle . false 97 A 102 ALA middle . . 98 A 103 GLY middle . false 99 A 104 GLU middle . . 100 A 105 PHE middle . . 101 A 106 ASN middle . . 102 A 107 LEU middle . . 103 A 108 LYS middle . . 104 A 109 GLN middle . . 105 A 110 GLU middle . . 106 A 111 LEU end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 6 PRO HA H 1 4.257 0.020 A 6 PRO HB2 H 1 1.804 0.020 A 6 PRO HD2 H 1 3.629 0.020 A 6 PRO HG2 H 1 1.859 0.020 A 6 PRO C C 13 176.927 0.3 A 6 PRO CA C 13 63.261 0.3 A 6 PRO CB C 13 32.242 0.3 A 6 PRO CD C 13 50.941 0.3 A 6 PRO CG C 13 27.170 0.3 A 7 LEU H H 1 7.919 0.020 A 7 LEU HA H 1 4.338 0.020 A 7 LEU HBy H 1 1.396 0.020 A 7 LEU HBx H 1 0.960 0.020 A 7 LEU HD1% H 1 0.605 0.020 A 7 LEU HD2% H 1 0.551 0.020 A 7 LEU HG H 1 1.450 0.020 A 7 LEU C C 13 176.410 0.3 A 7 LEU CA C 13 54.010 0.3 A 7 LEU CB C 13 43.226 0.3 A 7 LEU CD1 C 13 25.432 0.3 A 7 LEU CD2 C 13 22.786 0.3 A 7 LEU CG C 13 26.977 0.3 A 7 LEU N N 15 119.727 0.3 A 8 LYS H H 1 8.650 0.020 A 8 LYS HA H 1 4.365 0.020 A 8 LYS HBx H 1 1.014 0.020 A 8 LYS HBy H 1 1.123 0.020 A 8 LYS HD2 H 1 1.450 0.020 A 8 LYS HE2 H 1 2.813 0.020 A 8 LYS HGy H 1 1.096 0.020 A 8 LYS HGx H 1 0.938 0.020 A 8 LYS C C 13 174.512 0.3 A 8 LYS CA C 13 54.741 0.3 A 8 LYS CB C 13 35.723 0.3 A 8 LYS CD C 13 29.530 0.3 A 8 LYS CE C 13 42.212 0.3 A 8 LYS CG C 13 25.133 0.3 A 8 LYS N N 15 123.008 0.3 A 9 THR H H 1 8.481 0.020 A 9 THR HA H 1 5.372 0.020 A 9 THR HB H 1 3.630 0.020 A 9 THR HG2% H 1 0.932 0.020 A 9 THR C C 13 174.170 0.3 A 9 THR CA C 13 61.756 0.3 A 9 THR CB C 13 70.757 0.3 A 9 THR CG2 C 13 21.837 0.3 A 9 THR N N 15 120.273 0.3 A 10 GLN H H 1 9.295 0.020 A 10 GLN HB2 H 1 1.886 0.020 A 10 GLN HG2 H 1 2.267 0.020 A 10 GLN C C 13 173.651 0.3 A 10 GLN CA C 13 54.236 0.3 A 10 GLN CB C 13 34.484 0.3 A 10 GLN CG C 13 34.519 0.3 A 10 GLN N N 15 126.836 0.3 A 11 GLN H H 1 8.425 0.020 A 11 GLN HA H 1 5.646 0.020 A 11 GLN HBy H 1 1.858 0.020 A 11 GLN HBx H 1 1.750 0.020 A 11 GLN HG2 H 1 2.241 0.020 A 11 GLN C C 13 176.069 0.3 A 11 GLN CA C 13 53.760 0.3 A 11 GLN CB C 13 31.237 0.3 A 11 GLN CG C 13 34.224 0.3 A 11 GLN N N 15 121.367 0.3 A 12 MET H H 1 9.294 0.020 A 12 MET HBy H 1 1.996 0.020 A 12 MET HBx H 1 1.560 0.020 A 12 MET HG2 H 1 2.486 0.020 A 12 MET C C 13 173.824 0.3 A 12 MET CA C 13 54.598 0.3 A 12 MET CB C 13 37.258 0.3 A 12 MET CG C 13 33.368 0.3 A 12 MET N N 15 120.273 0.3 A 13 GLN H H 1 8.790 0.020 A 13 GLN HBy H 1 1.913 0.020 A 13 GLN HBx H 1 1.776 0.020 A 13 GLN C C 13 174.863 0.3 A 13 GLN CA C 13 54.753 0.3 A 13 GLN CB C 13 30.243 0.3 A 13 GLN CG C 13 36.273 0.3 A 13 GLN N N 15 122.461 0.3 A 14 VAL H H 1 8.930 0.020 A 14 VAL HB H 1 1.723 0.020 A 14 VAL HG1% H 1 0.660 0.020 A 14 VAL HG2% H 1 0.714 0.020 A 14 VAL C C 13 176.586 0.3 A 14 VAL CA C 13 61.255 0.3 A 14 VAL CB C 13 33.467 0.3 A 14 VAL CG1 C 13 21.913 0.3 A 14 VAL CG2 C 13 22.196 0.3 A 14 VAL N N 15 126.289 0.3 A 15 GLY H H 1 9.351 0.020 A 15 GLY HA2 H 1 3.521 0.020 A 15 GLY C C 13 173.997 0.3 A 15 GLY CA C 13 44.245 0.3 A 15 GLY N N 15 117.539 0.3 A 16 GLY H H 1 8.284 0.020 A 16 GLY C C 13 176.067 0.3 A 16 GLY CA C 13 45.256 0.3 A 16 GLY N N 15 107.149 0.3 A 17 MET H H 1 8.509 0.020 A 17 MET HBy H 1 2.160 0.020 A 17 MET HBx H 1 1.558 0.020 A 17 MET HGy H 1 2.049 0.020 A 17 MET HGx H 1 1.450 0.020 A 17 MET C C 13 177.102 0.3 A 17 MET CA C 13 57.740 0.3 A 17 MET CB C 13 34.243 0.3 A 17 MET CG C 13 32.380 0.3 A 17 MET N N 15 118.633 0.3 A 18 ARG H H 1 10.782 0.020 A 18 ARG HBy H 1 1.831 0.020 A 18 ARG HBx H 1 1.804 0.020 A 18 ARG HDy H 1 3.193 0.020 A 18 ARG HDx H 1 3.085 0.020 A 18 ARG HGy H 1 1.696 0.020 A 18 ARG HGx H 1 1.532 0.020 A 18 ARG C C 13 175.032 0.3 A 18 ARG CA C 13 57.239 0.3 A 18 ARG CB C 13 32.744 0.3 A 18 ARG CD C 13 43.322 0.3 A 18 ARG CG C 13 27.494 0.3 A 18 ARG N N 15 126.836 0.3 A 19 CYS H H 1 8.425 0.020 A 19 CYS HBy H 1 3.003 0.020 A 19 CYS HBx H 1 2.949 0.020 A 19 CYS CA C 13 56.217 0.3 A 19 CYS CB C 13 30.413 0.3 A 19 CYS N N 15 114.805 0.3 A 20 ALA CA C 13 51.257 0.3 A 20 ALA CB C 13 19.247 0.3 A 21 ALA HA H 1 4.147 0.020 A 21 ALA HB% H 1 1.438 0.020 A 21 ALA C C 13 180.553 0.3 A 21 ALA CA C 13 54.756 0.3 A 21 ALA CB C 13 18.233 0.3 A 21 ALA N N 15 118.906 0.3 A 22 CYS H H 1 7.640 0.020 A 22 CYS HA H 1 3.821 0.020 A 22 CYS HBy H 1 3.112 0.020 A 22 CYS HBx H 1 2.513 0.020 A 22 CYS C C 13 177.966 0.3 A 22 CYS CA C 13 64.748 0.3 A 22 CYS CB C 13 29.245 0.3 A 22 CYS N N 15 121.914 0.3 A 23 ALA H H 1 6.629 0.020 A 23 ALA HA H 1 3.603 0.020 A 23 ALA C C 13 179.173 0.3 A 23 ALA CA C 13 55.258 0.3 A 23 ALA CB C 13 18.741 0.3 A 23 ALA N N 15 119.180 0.3 A 24 SER H H 1 7.752 0.020 A 24 SER HA H 1 4.147 0.020 A 24 SER HB2 H 1 3.847 0.020 A 24 SER C C 13 176.764 0.3 A 24 SER CA C 13 61.259 0.3 A 24 SER CB C 13 62.754 0.3 A 24 SER N N 15 112.618 0.3 A 25 SER H H 1 7.989 0.020 A 25 SER HA H 1 3.521 0.020 A 25 SER C C 13 177.448 0.3 A 25 SER CA C 13 61.870 0.3 A 25 SER CB C 13 62.751 0.3 A 25 SER N N 15 116.992 0.3 A 26 ILE H H 1 7.583 0.020 A 26 ILE HA H 1 3.330 0.020 A 26 ILE HB H 1 1.668 0.020 A 26 ILE HD1% H 1 0.061 0.020 A 26 ILE HG1y H 1 1.586 0.020 A 26 ILE HG1x H 1 0.415 0.020 A 26 ILE HG2% H 1 0.497 0.020 A 26 ILE C C 13 176.930 0.3 A 26 ILE CA C 13 66.255 0.3 A 26 ILE CB C 13 38.237 0.3 A 26 ILE CD1 C 13 14.566 0.3 A 26 ILE CG1 C 13 30.409 0.3 A 26 ILE CG2 C 13 17.802 0.3 A 26 ILE N N 15 122.461 0.3 A 27 GLU H H 1 8.004 0.020 A 27 GLU HA H 1 3.466 0.020 A 27 GLU C C 13 178.916 0.3 A 27 GLU CA C 13 60.753 0.3 A 27 GLU CB C 13 29.707 0.3 A 27 GLU CG C 13 36.567 0.3 A 27 GLU N N 15 116.992 0.3 A 28 ARG H H 1 8.256 0.020 A 28 ARG HA H 1 3.956 0.020 A 28 ARG HBy H 1 1.831 0.020 A 28 ARG HBx H 1 1.721 0.020 A 28 ARG HD2 H 1 3.112 0.020 A 28 ARG HGy H 1 1.723 0.020 A 28 ARG HGx H 1 1.669 0.020 A 28 ARG C C 13 179.517 0.3 A 28 ARG CA C 13 58.752 0.3 A 28 ARG CB C 13 30.746 0.3 A 28 ARG CD C 13 43.318 0.3 A 28 ARG CG C 13 27.184 0.3 A 28 ARG N N 15 114.805 0.3 A 29 ALA H H 1 7.555 0.020 A 29 ALA HA H 1 3.957 0.020 A 29 ALA HB% H 1 1.341 0.020 A 29 ALA C C 13 181.073 0.3 A 29 ALA CA C 13 54.749 0.3 A 29 ALA CB C 13 18.729 0.3 A 29 ALA N N 15 118.633 0.3 A 30 LEU H H 1 7.976 0.020 A 30 LEU HA H 1 3.984 0.020 A 30 LEU HBy H 1 1.668 0.020 A 30 LEU HBx H 1 1.015 0.020 A 30 LEU HD1% H 1 0.632 0.020 A 30 LEU HD2% H 1 0.551 0.020 A 30 LEU HG H 1 1.805 0.020 A 30 LEU C C 13 178.658 0.3 A 30 LEU CA C 13 57.221 0.3 A 30 LEU CB C 13 41.248 0.3 A 30 LEU CD1 C 13 23.661 0.3 A 30 LEU CD2 C 13 26.067 0.3 A 30 LEU CG C 13 27.136 0.3 A 30 LEU N N 15 115.899 0.3 A 31 GLU H H 1 8.116 0.020 A 31 GLU HA H 1 3.738 0.020 A 31 GLU HB2 H 1 1.940 0.020 A 31 GLU HG2 H 1 2.484 0.020 A 31 GLU C C 13 177.793 0.3 A 31 GLU CA C 13 58.727 0.3 A 31 GLU CB C 13 29.241 0.3 A 31 GLU CG C 13 37.442 0.3 A 31 GLU N N 15 115.899 0.3 A 32 ARG H H 1 6.854 0.020 A 32 ARG HA H 1 4.147 0.020 A 32 ARG HB2 H 1 1.913 0.020 A 32 ARG HD2 H 1 3.085 0.020 A 32 ARG HG2 H 1 1.750 0.020 A 32 ARG C C 13 176.757 0.3 A 32 ARG CA C 13 56.250 0.3 A 32 ARG CB C 13 30.744 0.3 A 32 ARG CD C 13 43.613 0.3 A 32 ARG CG C 13 27.484 0.3 A 32 ARG N N 15 114.258 0.3 A 33 LEU H H 1 7.501 0.020 A 33 LEU HA H 1 4.202 0.020 A 33 LEU HB2 H 1 1.722 0.020 A 33 LEU HD1% H 1 0.661 0.020 A 33 LEU HD2% H 1 0.606 0.020 A 33 LEU HG H 1 1.669 0.020 A 33 LEU C C 13 176.412 0.3 A 33 LEU CA C 13 54.249 0.3 A 33 LEU CB C 13 41.739 0.3 A 33 LEU CD1 C 13 25.364 0.3 A 33 LEU CD2 C 13 24.546 0.3 A 33 LEU CG C 13 26.297 0.3 A 33 LEU N N 15 123.008 0.3 A 34 LYS H H 1 8.341 0.020 A 34 LYS HA H 1 3.874 0.020 A 34 LYS HB2 H 1 1.694 0.020 A 34 LYS HD2 H 1 1.614 0.020 A 34 LYS HE2 H 1 2.921 0.020 A 34 LYS HGy H 1 1.369 0.020 A 34 LYS HGx H 1 1.286 0.020 A 34 LYS C C 13 176.412 0.3 A 34 LYS CA C 13 58.242 0.3 A 34 LYS CB C 13 31.746 0.3 A 34 LYS CD C 13 29.240 0.3 A 34 LYS CE C 13 42.144 0.3 A 34 LYS CG C 13 24.839 0.3 A 34 LYS N N 15 127.383 0.3 A 35 GLY H H 1 8.509 0.020 A 35 GLY HAy H 1 4.310 0.020 A 35 GLY HAx H 1 3.438 0.020 A 35 GLY C C 13 175.715 0.3 A 35 GLY CA C 13 45.488 0.3 A 35 GLY N N 15 111.524 0.3 A 36 VAL H H 1 7.892 0.020 A 36 VAL HA H 1 3.874 0.020 A 36 VAL HB H 1 2.431 0.020 A 36 VAL HG1% H 1 0.687 0.020 A 36 VAL HG2% H 1 0.551 0.020 A 36 VAL C C 13 175.032 0.3 A 36 VAL CA C 13 63.757 0.3 A 36 VAL CB C 13 31.250 0.3 A 36 VAL CG1 C 13 23.377 0.3 A 36 VAL CG2 C 13 21.907 0.3 A 36 VAL N N 15 122.461 0.3 A 37 ALA H H 1 9.042 0.020 A 37 ALA HA H 1 4.365 0.020 A 37 ALA HB% H 1 1.190 0.020 A 37 ALA C C 13 177.619 0.3 A 37 ALA CA C 13 53.246 0.3 A 37 ALA CB C 13 20.722 0.3 A 37 ALA N N 15 131.758 0.3 A 38 GLU H H 1 7.555 0.020 A 38 GLU HA H 1 4.501 0.020 A 38 GLU HB2 H 1 1.817 0.020 A 38 GLU HGy H 1 2.021 0.020 A 38 GLU HGx H 1 1.968 0.020 A 38 GLU C C 13 173.651 0.3 A 38 GLU CA C 13 55.577 0.3 A 38 GLU CB C 13 33.666 0.3 A 38 GLU CG C 13 36.018 0.3 A 38 GLU N N 15 114.258 0.3 A 39 ALA H H 1 9.014 0.020 A 39 ALA HA H 1 5.101 0.020 A 39 ALA HB% H 1 1.150 0.020 A 39 ALA C C 13 175.033 0.3 A 39 ALA CA C 13 51.280 0.3 A 39 ALA CB C 13 23.237 0.3 A 39 ALA N N 15 125.742 0.3 A 40 SER H H 1 8.481 0.020 A 40 SER HA H 1 4.855 0.020 A 40 SER HB2 H 1 3.522 0.020 A 40 SER C C 13 173.824 0.3 A 40 SER CA C 13 56.254 0.3 A 40 SER CB C 13 65.255 0.3 A 40 SER N N 15 113.711 0.3 A 41 VAL H H 1 10.164 0.020 A 41 VAL HB H 1 1.777 0.020 A 41 VAL HG1% H 1 0.715 0.020 A 41 VAL HG2% H 1 0.497 0.020 A 41 VAL C C 13 175.204 0.3 A 41 VAL CA C 13 60.265 0.3 A 41 VAL CB C 13 33.743 0.3 A 41 VAL CG1 C 13 23.472 0.3 A 41 VAL CG2 C 13 21.636 0.3 A 41 VAL N N 15 129.570 0.3 A 42 THR H H 1 8.453 0.020 A 42 THR HA H 1 4.392 0.020 A 42 THR HB H 1 4.011 0.020 A 42 THR HG2% H 1 1.178 0.020 A 42 THR C C 13 175.030 0.3 A 42 THR CA C 13 60.760 0.3 A 42 THR CB C 13 69.255 0.3 A 42 THR CG2 C 13 22.651 0.3 A 42 THR N N 15 123.008 0.3 A 43 VAL H H 1 8.789 0.020 A 43 VAL HA H 1 3.302 0.020 A 43 VAL HB H 1 1.831 0.020 A 43 VAL HG1% H 1 0.823 0.020 A 43 VAL HG2% H 1 0.688 0.020 A 43 VAL C C 13 176.067 0.3 A 43 VAL CA C 13 63.268 0.3 A 43 VAL CB C 13 32.227 0.3 A 43 VAL CG1 C 13 23.081 0.3 A 43 VAL CG2 C 13 20.732 0.3 A 43 VAL N N 15 128.476 0.3 A 44 ALA H H 1 8.509 0.020 A 44 ALA HA H 1 3.984 0.020 A 44 ALA HB% H 1 1.287 0.020 A 44 ALA C C 13 179.167 0.3 A 44 ALA CA C 13 55.225 0.3 A 44 ALA CB C 13 18.995 0.3 A 44 ALA N N 15 119.180 0.3 A 45 THR H H 1 6.713 0.020 A 45 THR HA H 1 4.338 0.020 A 45 THR HB H 1 4.283 0.020 A 45 THR HG2% H 1 1.014 0.020 A 45 THR C C 13 176.237 0.3 A 45 THR CA C 13 60.254 0.3 A 45 THR CB C 13 70.261 0.3 A 45 THR CG2 C 13 21.849 0.3 A 45 THR N N 15 135.586 0.3 A 46 GLY H H 1 7.835 0.020 A 46 GLY HAy H 1 4.021 0.020 A 46 GLY HAx H 1 3.304 0.020 A 46 GLY C C 13 172.096 0.3 A 46 GLY CA C 13 46.225 0.3 A 46 GLY N N 15 110.977 0.3 A 47 ARG H H 1 7.303 0.020 A 47 ARG HBy H 1 1.641 0.020 A 47 ARG HBx H 1 1.559 0.020 A 47 ARG HD2 H 1 3.003 0.020 A 47 ARG HG2 H 1 1.368 0.020 A 47 ARG C C 13 175.032 0.3 A 47 ARG CA C 13 56.250 0.3 A 47 ARG CB C 13 31.739 0.3 A 47 ARG CD C 13 43.320 0.3 A 47 ARG CG C 13 27.165 0.3 A 47 ARG N N 15 118.086 0.3 A 48 LEU H H 1 8.986 0.020 A 48 LEU HA H 1 5.019 0.020 A 48 LEU HBy H 1 1.504 0.020 A 48 LEU HBx H 1 1.096 0.020 A 48 LEU HD1% H 1 0.497 0.020 A 48 LEU HD2% H 1 0.524 0.020 A 48 LEU HG H 1 1.178 0.020 A 48 LEU C C 13 175.033 0.3 A 48 LEU CA C 13 53.250 0.3 A 48 LEU CB C 13 45.081 0.3 A 48 LEU CD1 C 13 27.485 0.3 A 48 LEU CD2 C 13 24.491 0.3 A 48 LEU CG C 13 27.756 0.3 A 48 LEU N N 15 129.023 0.3 A 49 THR H H 1 9.154 0.020 A 49 THR HA H 1 4.964 0.020 A 49 THR HB H 1 3.820 0.020 A 49 THR HG2% H 1 0.960 0.020 A 49 THR C C 13 173.475 0.3 A 49 THR CA C 13 61.752 0.3 A 49 THR CB C 13 69.756 0.3 A 49 THR CG2 C 13 21.558 0.3 A 49 THR N N 15 123.008 0.3 A 50 VAL H H 1 9.071 0.020 A 50 VAL HA H 1 5.182 0.020 A 50 VAL HB H 1 1.749 0.020 A 50 VAL HG1% H 1 0.933 0.020 A 50 VAL HG2% H 1 0.905 0.020 A 50 VAL C C 13 172.614 0.3 A 50 VAL CA C 13 58.762 0.3 A 50 VAL CB C 13 35.452 0.3 A 50 VAL CG1 C 13 22.193 0.3 A 50 VAL CG2 C 13 19.559 0.3 A 50 VAL N N 15 125.195 0.3 A 51 THR H H 1 8.930 0.020 A 51 THR HA H 1 5.782 0.020 A 51 THR HB H 1 3.766 0.020 A 51 THR HG2% H 1 0.987 0.020 A 51 THR C C 13 174.684 0.3 A 51 THR CA C 13 61.248 0.3 A 51 THR CB C 13 70.265 0.3 A 51 THR CG2 C 13 23.052 0.3 A 51 THR N N 15 124.648 0.3 A 52 TYR H H 1 9.603 0.020 A 52 TYR HA H 1 5.291 0.020 A 52 TYR HBy H 1 2.621 0.020 A 52 TYR HBx H 1 2.539 0.020 A 52 TYR C C 13 171.408 0.3 A 52 TYR CA C 13 55.245 0.3 A 52 TYR CB C 13 41.754 0.3 A 52 TYR N N 15 124.648 0.3 A 53 ASP H H 1 8.481 0.020 A 53 ASP HA H 1 4.965 0.020 A 53 ASP HBy H 1 2.921 0.020 A 53 ASP HBx H 1 2.431 0.020 A 53 ASP CA C 13 50.009 0.3 A 53 ASP CB C 13 41.558 0.3 A 53 ASP N N 15 119.180 0.3 A 54 PRO HA H 1 5.373 0.020 A 54 PRO HB2 H 1 2.212 0.020 A 54 PRO HDy H 1 4.065 0.020 A 54 PRO HDx H 1 3.901 0.020 A 54 PRO C C 13 178.311 0.3 A 54 PRO CA C 13 63.263 0.3 A 54 PRO CB C 13 32.243 0.3 A 54 PRO CD C 13 51.520 0.3 A 54 PRO CG C 13 27.184 0.3 A 55 LYS H H 1 8.284 0.020 A 55 LYS HA H 1 4.120 0.020 A 55 LYS HB2 H 1 1.886 0.020 A 55 LYS HD2 H 1 1.614 0.020 A 55 LYS HE2 H 1 2.895 0.020 A 55 LYS HGy H 1 1.423 0.020 A 55 LYS HGx H 1 1.314 0.020 A 55 LYS C C 13 177.802 0.3 A 55 LYS CA C 13 57.726 0.3 A 55 LYS CB C 13 31.865 0.3 A 55 LYS CD C 13 28.935 0.3 A 55 LYS CE C 13 42.142 0.3 A 55 LYS CG C 13 25.428 0.3 A 55 LYS N N 15 116.992 0.3 A 56 GLN H H 1 7.864 0.020 A 56 GLN HA H 1 4.311 0.020 A 56 GLN HBy H 1 2.022 0.020 A 56 GLN HBx H 1 1.859 0.020 A 56 GLN HG2 H 1 2.186 0.020 A 56 GLN C C 13 175.031 0.3 A 56 GLN CA C 13 56.756 0.3 A 56 GLN CB C 13 33.752 0.3 A 56 GLN CG C 13 34.522 0.3 A 56 GLN N N 15 115.352 0.3 A 57 VAL H H 1 8.172 0.020 A 57 VAL HA H 1 4.393 0.020 A 57 VAL HB H 1 2.240 0.020 A 57 VAL HG1% H 1 0.878 0.020 A 57 VAL HG2% H 1 0.633 0.020 A 57 VAL C C 13 170.718 0.3 A 57 VAL CA C 13 59.772 0.3 A 57 VAL CB C 13 34.228 0.3 A 57 VAL CG1 C 13 22.287 0.3 A 57 VAL CG2 C 13 20.461 0.3 A 57 VAL N N 15 120.273 0.3 A 58 SER H H 1 7.611 0.020 A 58 SER HBy H 1 4.147 0.020 A 58 SER HBx H 1 3.794 0.020 A 58 SER C C 13 175.377 0.3 A 58 SER CA C 13 55.251 0.3 A 58 SER CB C 13 66.750 0.3 A 58 SER N N 15 116.992 0.3 A 59 GLU H H 1 8.930 0.020 A 59 GLU HA H 1 3.358 0.020 A 59 GLU HBy H 1 2.131 0.020 A 59 GLU HBx H 1 1.858 0.020 A 59 GLU HGy H 1 2.458 0.020 A 59 GLU HGx H 1 1.832 0.020 A 59 GLU C C 13 178.308 0.3 A 59 GLU CA C 13 59.743 0.3 A 59 GLU CB C 13 29.240 0.3 A 59 GLU CG C 13 37.139 0.3 A 59 GLU N N 15 120.820 0.3 A 60 ILE H H 1 7.583 0.020 A 60 ILE HA H 1 3.738 0.020 A 60 ILE HB H 1 1.641 0.020 A 60 ILE HD1% H 1 0.742 0.020 A 60 ILE HG1y H 1 1.408 0.020 A 60 ILE HG1x H 1 1.150 0.020 A 60 ILE HG2% H 1 0.742 0.020 A 60 ILE C C 13 177.448 0.3 A 60 ILE CA C 13 63.749 0.3 A 60 ILE CB C 13 37.515 0.3 A 60 ILE CD1 C 13 12.509 0.3 A 60 ILE CG1 C 13 28.943 0.3 A 60 ILE CG2 C 13 17.508 0.3 A 60 ILE N N 15 118.086 0.3 A 61 THR H H 1 7.471 0.020 A 61 THR HA H 1 3.766 0.020 A 61 THR HB H 1 4.039 0.020 A 61 THR HG2% H 1 1.122 0.020 A 61 THR C C 13 177.104 0.3 A 61 THR CA C 13 66.264 0.3 A 61 THR CB C 13 68.245 0.3 A 61 THR CG2 C 13 22.859 0.3 A 61 THR N N 15 119.727 0.3 A 62 ILE H H 1 7.259 0.020 A 62 ILE HA H 1 3.031 0.020 A 62 ILE HB H 1 1.559 0.020 A 62 ILE HD1% H 1 -0.212 0.020 A 62 ILE HG1y H 1 1.259 0.020 A 62 ILE HG1x H 1 0.278 0.020 A 62 ILE HG2% H 1 0.524 0.020 A 62 ILE C C 13 176.756 0.3 A 62 ILE CA C 13 65.760 0.3 A 62 ILE CB C 13 38.251 0.3 A 62 ILE CD1 C 13 12.520 0.3 A 62 ILE CG1 C 13 29.537 0.3 A 62 ILE CG2 C 13 16.631 0.3 A 62 ILE N N 15 121.367 0.3 A 63 GLN H H 1 7.976 0.020 A 63 GLN HA H 1 3.602 0.020 A 63 GLN HBy H 1 2.159 0.020 A 63 GLN HBx H 1 1.942 0.020 A 63 GLN HG2 H 1 2.485 0.020 A 63 GLN C C 13 179.172 0.3 A 63 GLN CA C 13 59.755 0.3 A 63 GLN CB C 13 27.734 0.3 A 63 GLN CG C 13 34.225 0.3 A 63 GLN N N 15 117.539 0.3 A 64 GLU H H 1 8.622 0.020 A 64 GLU HA H 1 3.874 0.020 A 64 GLU HBy H 1 2.077 0.020 A 64 GLU HBx H 1 1.886 0.020 A 64 GLU HGy H 1 2.458 0.020 A 64 GLU HGx H 1 2.077 0.020 A 64 GLU C C 13 179.866 0.3 A 64 GLU CA C 13 59.259 0.3 A 64 GLU CB C 13 29.700 0.3 A 64 GLU CG C 13 36.868 0.3 A 64 GLU N N 15 119.180 0.3 A 65 ARG H H 1 7.891 0.020 A 65 ARG HA H 1 4.093 0.020 A 65 ARG HB2 H 1 1.805 0.020 A 65 ARG HDy H 1 3.194 0.020 A 65 ARG HDx H 1 3.058 0.020 A 65 ARG HGy H 1 1.614 0.020 A 65 ARG HGx H 1 1.341 0.020 A 65 ARG C C 13 178.310 0.3 A 65 ARG CA C 13 57.256 0.3 A 65 ARG CB C 13 28.748 0.3 A 65 ARG CD C 13 42.415 0.3 A 65 ARG CG C 13 26.889 0.3 A 65 ARG N N 15 119.727 0.3 A 66 ILE H H 1 7.443 0.020 A 66 ILE HA H 1 3.547 0.020 A 66 ILE HB H 1 1.886 0.020 A 66 ILE HD1% H 1 0.605 0.020 A 66 ILE HG1x H 1 0.905 0.020 A 66 ILE HG1y H 1 1.641 0.020 A 66 ILE HG2% H 1 0.741 0.020 A 66 ILE C C 13 178.311 0.3 A 66 ILE CA C 13 64.745 0.3 A 66 ILE CB C 13 37.681 0.3 A 66 ILE CD1 C 13 14.283 0.3 A 66 ILE CG1 C 13 29.239 0.3 A 66 ILE CG2 C 13 18.675 0.3 A 66 ILE N N 15 118.086 0.3 A 67 ALA H H 1 8.116 0.020 A 67 ALA HA H 1 4.529 0.020 A 67 ALA HB% H 1 1.368 0.020 A 67 ALA C C 13 182.626 0.3 A 67 ALA CA C 13 54.250 0.3 A 67 ALA CB C 13 17.735 0.3 A 67 ALA N N 15 121.914 0.3 A 68 ALA H H 1 7.948 0.020 A 68 ALA HA H 1 4.012 0.020 A 68 ALA HB% H 1 1.422 0.020 A 68 ALA C C 13 179.690 0.3 A 68 ALA CA C 13 54.259 0.3 A 68 ALA CB C 13 18.221 0.3 A 68 ALA N N 15 121.367 0.3 A 69 LEU H H 1 7.247 0.020 A 69 LEU HA H 1 4.147 0.020 A 69 LEU HB2 H 1 1.466 0.020 A 69 LEU HD1% H 1 0.769 0.020 A 69 LEU HD2% H 1 0.715 0.020 A 69 LEU HG H 1 1.450 0.020 A 69 LEU C C 13 176.931 0.3 A 69 LEU CA C 13 55.245 0.3 A 69 LEU CB C 13 43.241 0.3 A 69 LEU CD1 C 13 25.128 0.3 A 69 LEU CD2 C 13 23.660 0.3 A 69 LEU CG C 13 27.167 0.3 A 69 LEU N N 15 116.445 0.3 A 70 GLY H H 1 7.668 0.020 A 70 GLY HAy H 1 3.849 0.020 A 70 GLY HAx H 1 3.412 0.020 A 70 GLY C C 13 173.651 0.3 A 70 GLY CA C 13 44.472 0.3 A 70 GLY N N 15 103.867 0.3 A 71 TYR H H 1 6.798 0.020 A 71 TYR HBy H 1 3.385 0.020 A 71 TYR HBx H 1 2.213 0.020 A 71 TYR C C 13 174.513 0.3 A 71 TYR CA C 13 57.020 0.3 A 71 TYR CB C 13 39.502 0.3 A 71 TYR N N 15 119.180 0.3 A 72 THR H H 1 8.144 0.020 A 72 THR HB H 1 4.011 0.020 A 72 THR HG2% H 1 0.986 0.020 A 72 THR C C 13 173.998 0.3 A 72 THR CA C 13 60.249 0.3 A 72 THR CB C 13 71.254 0.3 A 72 THR CG2 C 13 21.673 0.3 A 72 THR N N 15 109.883 0.3 A 73 LEU H H 1 8.397 0.020 A 73 LEU HA H 1 5.046 0.020 A 73 LEU HB2 H 1 1.504 0.020 A 73 LEU HD1% H 1 0.797 0.020 A 73 LEU HD2% H 1 0.796 0.020 A 73 LEU HG H 1 1.559 0.020 A 73 LEU C C 13 174.168 0.3 A 73 LEU CA C 13 53.252 0.3 A 73 LEU CB C 13 43.743 0.3 A 73 LEU CD1 C 13 25.719 0.3 A 73 LEU CD2 C 13 24.839 0.3 A 73 LEU CG C 13 27.495 0.3 A 73 LEU N N 15 122.461 0.3 A 74 ALA H H 1 8.200 0.020 A 74 ALA HA H 1 4.338 0.020 A 74 ALA HB% H 1 1.205 0.020 A 74 ALA C C 13 176.931 0.3 A 74 ALA CA C 13 55.254 0.3 A 74 ALA CB C 13 18.225 0.3 A 74 ALA N N 15 125.195 0.3 A 75 GLU H H 1 8.397 0.020 A 75 GLU HA H 1 4.474 0.020 A 75 GLU HBy H 1 1.914 0.020 A 75 GLU HBx H 1 1.805 0.020 A 75 GLU HGy H 1 2.187 0.020 A 75 GLU HGx H 1 1.831 0.020 A 75 GLU CA C 13 54.458 0.3 A 75 GLU CB C 13 29.591 0.3 A 75 GLU CG C 13 36.273 0.3 A 75 GLU N N 15 120.820 0.3 A 76 PRO HA H 1 4.311 0.020 A 76 PRO HB2 H 1 2.104 0.020 A 76 PRO HDy H 1 3.766 0.020 A 76 PRO HDx H 1 3.603 0.020 A 76 PRO HGy H 1 1.940 0.020 A 76 PRO HGx H 1 1.804 0.020 A 76 PRO CA C 13 63.260 0.3 A 76 PRO CB C 13 31.744 0.3 A 76 PRO CD C 13 50.939 0.3 A 76 PRO CG C 13 27.483 0.3 A 77 LYS HA H 1 4.158 0.020 A 77 LYS HBy H 1 1.695 0.020 A 77 LYS HBx H 1 1.614 0.020 A 77 LYS HD2 H 1 1.532 0.020 A 77 LYS HE2 H 1 2.867 0.020 A 77 LYS HG2 H 1 1.314 0.020 A 77 LYS C C 13 176.930 0.3 A 77 LYS CA C 13 56.246 0.3 A 77 LYS CB C 13 30.616 0.3 A 77 LYS CD C 13 29.331 0.3 A 77 LYS CE C 13 42.144 0.3 A 77 LYS CG C 13 24.837 0.3 A 77 LYS N N 15 121.367 0.3 A 78 SER H H 1 8.285 0.020 A 78 SER HB2 H 1 3.656 0.020 A 78 SER C C 13 174.857 0.3 A 78 SER CA C 13 58.258 0.3 A 78 SER CB C 13 63.760 0.3 A 78 SER N N 15 116.445 0.3 A 79 SER H H 1 8.313 0.020 A 79 SER HB2 H 1 3.712 0.020 A 79 SER C C 13 174.515 0.3 A 79 SER CA C 13 58.257 0.3 A 79 SER CB C 13 63.760 0.3 A 79 SER N N 15 118.086 0.3 A 80 VAL H H 1 8.032 0.020 A 80 VAL HA H 1 4.093 0.020 A 80 VAL HB H 1 1.941 0.020 A 80 VAL HG2% H 1 0.796 0.020 A 80 VAL C C 13 176.241 0.3 A 80 VAL CA C 13 62.251 0.3 A 80 VAL CB C 13 32.753 0.3 A 80 VAL CG1 C 13 21.031 0.3 A 80 VAL CG2 C 13 20.438 0.3 A 80 VAL N N 15 121.367 0.3 A 81 THR H H 1 8.172 0.020 A 81 THR HA H 1 4.229 0.020 A 81 THR HB H 1 4.038 0.020 A 81 THR HG2% H 1 1.042 0.020 A 81 THR C C 13 176.589 0.3 A 81 THR CA C 13 61.725 0.3 A 81 THR CB C 13 69.776 0.3 A 81 THR CG2 C 13 21.903 0.3 A 81 THR N N 15 118.633 0.3 A 82 LEU H H 1 8.257 0.020 A 82 LEU HA H 1 4.256 0.020 A 82 LEU HB2 H 1 1.463 0.020 A 82 LEU HD1% H 1 0.795 0.020 A 82 LEU HD2% H 1 0.742 0.020 A 82 LEU HG H 1 1.475 0.020 A 82 LEU C C 13 176.241 0.3 A 82 LEU CA C 13 55.247 0.3 A 82 LEU CB C 13 42.701 0.3 A 82 LEU CD1 C 13 24.823 0.3 A 82 LEU CD2 C 13 23.592 0.3 A 82 LEU CG C 13 26.948 0.3 A 82 LEU N N 15 125.195 0.3 A 83 ASN H H 1 7.920 0.020 A 83 ASN HBy H 1 2.649 0.020 A 83 ASN HBx H 1 2.540 0.020 A 83 ASN C C 13 176.583 0.3 A 83 ASN CA C 13 54.753 0.3 A 83 ASN CB C 13 41.230 0.3 A 83 ASN N N 15 124.102 0.3 A 84 GLY H H 1 8.257 0.020 A 84 GLY HA2 H 1 3.739 0.020 A 84 GLY C C 13 174.343 0.3 A 84 GLY CA C 13 45.625 0.3 A 84 GLY N N 15 113.711 0.3 A 85 HIS H H 1 8.229 0.020 A 85 HIS CA C 13 56.246 0.3 A 85 HIS CB C 13 30.241 0.3 A 85 HIS N N 15 118.633 0.3 A 86 LYS HG2 H 1 1.232 0.020 A 86 LYS C C 13 176.070 0.3 A 86 LYS CA C 13 56.242 0.3 A 86 LYS CB C 13 32.710 0.3 A 86 LYS CE C 13 42.145 0.3 A 86 LYS CG C 13 24.720 0.3 A 86 LYS N N 15 121.914 0.3 A 87 HIS H H 1 8.201 0.020 A 87 HIS N N 15 116.992 0.3 A 88 PRO HB2 H 1 1.668 0.020 A 88 PRO HD2 H 1 3.330 0.020 A 88 PRO HG2 H 1 1.832 0.020 A 88 PRO C C 13 177.790 0.3 A 88 PRO CA C 13 66.239 0.3 A 88 PRO CB C 13 31.719 0.3 A 88 PRO CD C 13 50.653 0.3 A 88 PRO CG C 13 27.169 0.3 A 89 HIS H H 1 8.538 0.020 A 89 HIS C C 13 175.554 0.3 A 89 HIS CA C 13 56.236 0.3 A 89 HIS CB C 13 30.257 0.3 A 89 HIS N N 15 119.180 0.3 A 90 SER H H 1 8.144 0.020 A 90 SER HB2 H 1 3.957 0.020 A 90 SER CA C 13 58.565 0.3 A 90 SER CB C 13 63.886 0.3 A 90 SER N N 15 116.445 0.3 A 91 HIS C C 13 175.204 0.3 A 91 HIS CA C 13 56.242 0.3 A 91 HIS CB C 13 30.235 0.3 A 92 ARG H H 1 8.144 0.020 A 92 ARG HB2 H 1 1.913 0.020 A 92 ARG C C 13 177.447 0.3 A 92 ARG CA C 13 56.257 0.3 A 92 ARG CB C 13 30.241 0.3 A 92 ARG CG C 13 27.772 0.3 A 92 ARG N N 15 122.461 0.3 A 93 GLU H H 1 8.088 0.020 A 93 GLU HA H 1 4.202 0.020 A 93 GLU CA C 13 56.224 0.3 A 93 GLU CB C 13 30.723 0.3 A 93 GLU N N 15 121.367 0.3 A 94 GLU HA H 1 4.147 0.020 A 94 GLU HBy H 1 1.912 0.020 A 94 GLU HBx H 1 1.777 0.020 A 94 GLU HGy H 1 1.967 0.020 A 94 GLU HGx H 1 1.914 0.020 A 94 GLU C C 13 177.274 0.3 A 94 GLU CA C 13 56.702 0.3 A 94 GLU CB C 13 30.252 0.3 A 94 GLU CG C 13 36.274 0.3 A 94 GLU N N 15 122.461 0.3 A 95 GLY H H 1 8.341 0.020 A 95 GLY C C 13 174.213 0.3 A 95 GLY CA C 13 45.276 0.3 A 95 GLY N N 15 109.336 0.3 A 96 HIS H H 1 8.060 0.020 A 96 HIS C C 13 178.658 0.3 A 96 HIS N N 15 118.633 0.3 A 97 SER H H 1 8.116 0.020 A 97 SER CA C 13 58.258 0.3 A 97 SER CB C 13 63.754 0.3 A 97 SER N N 15 115.812 0.3 A 98 HIS N N 15 118.633 0.3 A 99 SER C C 13 179.517 0.3 A 99 SER CA C 13 58.256 0.3 A 99 SER CB C 13 63.755 0.3 A 100 HIS H H 1 8.312 0.020 A 100 HIS C C 13 175.896 0.3 A 100 HIS CA C 13 56.254 0.3 A 100 HIS CB C 13 30.254 0.3 A 100 HIS N N 15 120.820 0.3 A 101 GLY H H 1 8.313 0.020 A 101 GLY CA C 13 45.266 0.3 A 101 GLY N N 15 109.883 0.3 A 102 ALA HA H 1 4.214 0.020 A 102 ALA HB% H 1 1.259 0.020 A 102 ALA C C 13 178.484 0.3 A 102 ALA CA C 13 52.736 0.3 A 102 ALA CB C 13 19.237 0.3 A 102 ALA N N 15 123.555 0.3 A 103 GLY H H 1 8.285 0.020 A 103 GLY C C 13 174.342 0.3 A 103 GLY CA C 13 45.241 0.3 A 103 GLY N N 15 107.696 0.3 A 104 GLU H H 1 8.060 0.020 A 104 GLU C C 13 176.413 0.3 A 104 GLU CA C 13 56.759 0.3 A 104 GLU CB C 13 30.236 0.3 A 104 GLU N N 15 119.727 0.3 A 105 PHE H H 1 8.117 0.020 A 105 PHE HA H 1 4.474 0.020 A 105 PHE HBy H 1 3.003 0.020 A 105 PHE HBx H 1 2.840 0.020 A 105 PHE C C 13 175.547 0.3 A 105 PHE CA C 13 57.743 0.3 A 105 PHE CB C 13 39.499 0.3 A 105 PHE N N 15 120.273 0.3 A 106 ASN H H 1 8.172 0.020 A 106 ASN HA H 1 4.528 0.020 A 106 ASN C C 13 175.547 0.3 A 106 ASN CA C 13 53.225 0.3 A 106 ASN CB C 13 38.753 0.3 A 106 ASN N N 15 119.727 0.3 A 107 LEU H H 1 8.060 0.020 A 107 LEU HD1% H 1 0.747 0.020 A 107 LEU HD2% H 1 0.688 0.020 A 107 LEU C C 13 177.446 0.3 A 107 LEU CA C 13 55.249 0.3 A 107 LEU CB C 13 42.261 0.3 A 107 LEU CD1 C 13 24.834 0.3 A 107 LEU CD2 C 13 23.512 0.3 A 107 LEU CG C 13 26.901 0.3 A 107 LEU N N 15 121.914 0.3 A 108 LYS H H 1 8.145 0.020 A 108 LYS HA H 1 4.229 0.020 A 108 LYS HBy H 1 1.559 0.020 A 108 LYS HBx H 1 1.505 0.020 A 108 LYS HD2 H 1 1.482 0.020 A 108 LYS HGy H 1 1.181 0.020 A 108 LYS HGx H 1 1.123 0.020 A 108 LYS C C 13 176.413 0.3 A 108 LYS CA C 13 56.240 0.3 A 108 LYS CB C 13 32.733 0.3 A 108 LYS CD C 13 28.888 0.3 A 108 LYS CE C 13 42.144 0.3 A 108 LYS CG C 13 24.836 0.3 A 108 LYS N N 15 121.914 0.3 A 109 GLN H H 1 8.256 0.020 A 109 GLN HA H 1 4.201 0.020 A 109 GLN HB2 H 1 1.995 0.020 A 109 GLN HG2 H 1 2.077 0.020 A 109 GLN C C 13 175.716 0.3 A 109 GLN CA C 13 55.756 0.3 A 109 GLN CB C 13 29.732 0.3 A 109 GLN CG C 13 36.499 0.3 A 109 GLN N N 15 121.914 0.3 A 110 GLU HA H 1 4.147 0.020 A 110 GLU HBy H 1 1.913 0.020 A 110 GLU HBx H 1 1.695 0.020 A 110 GLU HG2 H 1 2.130 0.020 A 110 GLU C C 13 175.545 0.3 A 110 GLU CA C 13 56.246 0.3 A 110 GLU CB C 13 30.241 0.3 A 110 GLU CG C 13 36.279 0.3 A 110 GLU N N 15 123.008 0.3 A 111 LEU H H 1 7.835 0.020 A 111 LEU HA H 1 4.065 0.020 A 111 LEU HB2 H 1 1.450 0.020 A 111 LEU HD1% H 1 0.769 0.020 A 111 LEU HD2% H 1 0.715 0.020 A 111 LEU HG H 1 1.450 0.020 A 111 LEU CA C 13 56.821 0.3 A 111 LEU CB C 13 43.447 0.3 A 111 LEU CD1 C 13 25.136 0.3 A 111 LEU CD2 C 13 23.668 0.3 A 111 LEU CG C 13 27.188 0.3 A 111 LEU N N 15 129.023 0.3 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 7 LEU HA A 53 ASP HA 1.0 . 4.57 2 2 A 7 LEU HA A 7 LEU HD2% 1.0 . 3.70 3 3 A 53 ASP HA A 7 LEU HD2% 1.0 . 4.56 4 4 A 7 LEU HD2% A 52 TYR HA 1.0 . 5.73 5 5 A 7 LEU HD2% A 7 LEU H 1.0 . 5.05 6 6 A 30 LEU HA A 33 LEU HD2% 1.0 . 3.63 7 7 A 30 LEU HA A 33 LEU HD1% 1.0 . 3.94 8 8 A 30 LEU HBx A 30 LEU HD2% 1.0 . 3.75 9 9 A 30 LEU HD2% A 30 LEU HBy 1.0 . 4.21 10 10 A 30 LEU H A 30 LEU HG 1.0 . 6.00 11 11 A 30 LEU HBy A 30 LEU HD1% 1.0 . 3.44 12 12 A 30 LEU HA A 30 LEU HD1% 1.0 . 4.25 13 13 A 30 LEU H A 30 LEU HD1% 1.0 . 4.99 14 14 A 37 ALA HB% A 38 GLU H 1.0 . 4.26 15 15 A 37 ALA HB% A 37 ALA H 1.0 . 4.00 16 16 A 39 ALA HA A 38 GLU HB2 1.0 . 5.10 17 16 A 38 GLU HBy A 39 ALA HA 1.0 . 5.10 18 17 A 68 ALA HB% A 69 LEU H 1.0 . 4.85 19 18 A 9 THR HA A 50 VAL HG2% 1.0 . 3.91 20 19 A 9 THR HA A 52 TYR H 1.0 . 5.21 21 20 A 9 THR HG2% A 10 GLN H 1.0 . 4.26 22 21 A 9 THR HA A 9 THR HG2% 1.0 . 4.24 23 22 A 42 THR HA A 42 THR HG2% 1.0 . 4.19 24 23 A 42 THR HG2% A 47 ARG HG2 1.0 . 4.36 25 23 A 42 THR HG2% A 47 ARG HGy 1.0 . 4.36 26 24 A 42 THR HG2% A 42 THR H 1.0 . 5.00 27 25 A 45 THR HA A 45 THR HG2% 1.0 . 3.84 28 26 A 45 THR HA A 47 ARG HG2 1.0 . 5.47 29 26 A 47 ARG HGy A 45 THR HA 1.0 . 5.47 30 27 A 45 THR HB A 47 ARG HG2 1.0 . 4.92 31 27 A 47 ARG HGy A 45 THR HB 1.0 . 4.92 32 28 A 51 THR HA A 51 THR HG2% 1.0 . 4.09 33 29 A 9 THR HA A 51 THR HA 1.0 . 4.01 34 30 A 9 THR HA A 51 THR HB 1.0 . 5.22 35 31 A 51 THR HG2% A 51 THR H 1.0 . 4.88 36 32 A 52 TYR HA A 51 THR HG2% 1.0 . 5.51 37 33 A 9 THR HA A 51 THR HG2% 1.0 . 5.87 38 34 A 72 THR HA A 73 LEU H 1.0 . 3.57 39 35 A 72 THR HA A 72 THR HG2% 1.0 . 3.84 40 36 A 72 THR HA A 67 ALA HA 1.0 . 3.49 41 37 A 72 THR HA A 73 LEU HB2 1.0 . 5.52 42 37 A 72 THR HA A 73 LEU HBy 1.0 . 5.52 43 38 A 73 LEU H A 72 THR HB 1.0 . 4.30 44 39 A 14 VAL HG1% A 73 LEU HB2 1.0 . 4.52 45 39 A 73 LEU HBy A 14 VAL HG1% 1.0 . 4.52 46 40 A 14 VAL HG1% A 73 LEU HA 1.0 . 5.66 47 41 A 36 VAL HA A 36 VAL HG1% 1.0 . 3.99 48 42 A 36 VAL HA A 52 TYR HBx 1.0 . 4.32 49 43 A 52 TYR HA A 36 VAL HA 1.0 . 4.50 50 44 A 36 VAL HA A 53 ASP HBx 1.0 . 5.25 51 45 A 36 VAL H A 36 VAL HG2% 1.0 . 5.07 52 46 A 36 VAL HG2% A 37 ALA HA 1.0 . 6.00 53 47 A 36 VAL HA A 36 VAL HG2% 1.0 . 4.19 54 48 A 36 VAL HG2% A 39 ALA HB% 1.0 . 4.69 55 49 A 36 VAL HG2% A 50 VAL HB 1.0 . 3.55 56 50 A 36 VAL HG2% A 50 VAL HG1% 1.0 . 3.48 57 51 A 52 TYR HA A 36 VAL HG1% 1.0 . 5.50 58 52 A 37 ALA H A 36 VAL HG1% 1.0 . 5.86 59 53 A 35 GLY HAy A 57 VAL HG2% 1.0 . 4.69 60 54 A 35 GLY HAy A 56 GLN HBy 1.0 . 5.06 61 55 A 35 GLY HAy A 56 GLN HBx 1.0 . 5.97 62 56 A 41 VAL HG1% A 48 LEU HA 1.0 . 6.00 63 57 A 48 LEU HA A 41 VAL HG2% 1.0 . 6.00 64 58 A 43 VAL HA A 46 GLY HAx 1.0 . 5.24 65 59 A 43 VAL HA A 43 VAL HG1% 1.0 . 3.84 66 60 A 43 VAL HA A 43 VAL HG2% 1.0 . 4.19 67 61 A 43 VAL HB A 44 ALA HB% 1.0 . 4.47 68 62 A 43 VAL HG1% A 46 GLY HAy 1.0 . 4.20 69 63 A 46 GLY HAx A 43 VAL HG1% 1.0 . 4.58 70 64 A 43 VAL HG2% A 44 ALA H 1.0 . 5.25 71 65 A 43 VAL HG2% A 46 GLY HAy 1.0 . 4.30 72 66 A 43 VAL HG2% A 44 ALA HB% 1.0 . 5.28 73 67 A 50 VAL HG2% A 50 VAL HA 1.0 . 4.16 74 68 A 39 ALA HA A 50 VAL HA 1.0 . 3.76 75 69 A 52 TYR HBx A 50 VAL HB 1.0 . 6.00 76 70 A 50 VAL HG1% A 62 ILE HD1% 1.0 . 5.11 77 71 A 50 VAL HG1% A 62 ILE HG2% 1.0 . 3.65 78 72 A 50 VAL HG2% A 52 TYR HD% 1.0 . 4.72 79 73 A 50 VAL HG2% A 75 GLU HBy 1.0 . 4.27 80 74 A 50 VAL HG2% A 75 GLU HGx 1.0 . 4.98 81 74 A 50 VAL HG2% A 75 GLU HGy 1.0 . 4.98 82 75 A 50 VAL HG2% A 62 ILE HG2% 1.0 . 3.56 83 76 A 57 VAL HA A 57 VAL HG1% 1.0 . 3.98 84 77 A 57 VAL HA A 58 SER HBx 1.0 . 4.74 85 78 A 11 GLN HA A 10 GLN HG2 1.0 . 5.53 86 78 A 10 GLN HGy A 11 GLN HA 1.0 . 5.53 87 79 A 57 VAL HG1% A 60 ILE HG1y 1.0 . 5.16 88 80 A 57 VAL HG1% A 60 ILE HB 1.0 . 4.91 89 81 A 57 VAL HG2% A 35 GLY H 1.0 . 5.48 90 82 A 57 VAL HG2% A 52 TYR HD% 1.0 . 4.11 91 83 A 57 VAL HG2% A 34 LYS HA 1.0 . 6.00 92 84 A 53 ASP HA A 8 LYS H 1.0 . 5.00 93 85 A 7 LEU HD2% A 53 ASP HBy 1.0 . 4.28 94 86 A 53 ASP HBy A 55 LYS HGx 1.0 . 4.80 95 87 A 7 LEU HD2% A 53 ASP HBx 1.0 . 4.22 96 88 A 53 ASP HBx A 35 GLY HAx 1.0 . 6.00 97 89 A 53 ASP HBy A 35 GLY HAx 1.0 . 5.71 98 90 A 53 ASP HBy A 54 PRO HDx 1.0 . 6.00 99 91 A 53 ASP HBy A 7 LEU HBy 1.0 . 4.57 100 92 A 52 TYR HA A 36 VAL HG2% 1.0 . 5.15 101 93 A 52 TYR HA A 57 VAL HG2% 1.0 . 5.33 102 94 A 52 TYR HA A 52 TYR HD% 1.0 . 6.00 103 95 A 36 VAL HG1% A 52 TYR HBy 1.0 . 4.10 104 96 A 36 VAL HG1% A 52 TYR HBx 1.0 . 4.27 105 97 A 50 VAL HG2% A 52 TYR HBy 1.0 . 5.27 106 98 A 36 VAL HA A 52 TYR HBy 1.0 . 4.66 107 99 A 52 TYR HBx A 53 ASP H 1.0 . 5.17 108 100 A 52 TYR HBy A 53 ASP H 1.0 . 5.16 109 101 A 66 ILE HG2% A 71 TYR HBx 1.0 . 3.96 110 102 A 66 ILE HG2% A 71 TYR HBy 1.0 . 4.02 111 103 A 66 ILE HG2% A 71 TYR HD% 1.0 . 5.42 112 104 A 36 VAL HG1% A 31 GLU HA 1.0 . 5.72 113 105 A 32 ARG HA A 31 GLU HB2 1.0 . 4.57 114 105 A 31 GLU HBy A 32 ARG HA 1.0 . 4.57 115 106 A 31 GLU HGy A 32 ARG HG2 1.0 . 5.30 116 106 A 31 GLU HG2 A 32 ARG HG2 1.0 . 5.30 117 106 A 32 ARG HGy A 31 GLU HG2 1.0 . 5.30 118 106 A 31 GLU HGy A 32 ARG HGy 1.0 . 5.30 119 107 A 38 GLU HA A 39 ALA H 1.0 . 3.27 120 108 A 51 THR HB A 38 GLU HA 1.0 . 4.18 121 109 A 51 THR HB A 38 GLU HB2 1.0 . 4.59 122 109 A 38 GLU HBy A 51 THR HB 1.0 . 4.59 123 110 A 51 THR HB A 38 GLU HGy 1.0 . 6.00 124 111 A 51 THR HB A 38 GLU HGx 1.0 . 5.08 125 112 A 38 GLU H A 38 GLU HGy 1.0 . 5.73 126 113 A 39 ALA H A 38 GLU HGx 1.0 . 5.65 127 114 A 62 ILE HG2% A 59 GLU HA 1.0 . 4.30 128 115 A 59 GLU HA A 63 GLN H 1.0 . 4.57 129 116 A 59 GLU HA A 59 GLU HGx 1.0 . 4.25 130 117 A 59 GLU HA A 75 GLU HBx 1.0 . 4.62 131 118 A 63 GLN H A 59 GLU HBy 1.0 . 5.15 132 119 A 59 GLU HBy A 75 GLU HBx 1.0 . 4.64 133 120 A 59 GLU HBy A 75 GLU HGx 1.0 . 3.91 134 121 A 27 GLU HGy A 41 VAL H 1.0 . 5.45 135 122 A 59 GLU HGy A 60 ILE HD1% 1.0 . 4.92 136 123 A 59 GLU HGy A 60 ILE HG1x 1.0 . 4.96 137 124 A 59 GLU HGx A 58 SER HA 1.0 . 5.11 138 125 A 63 GLN H A 59 GLU HGx 1.0 . 5.29 139 126 A 58 SER HBx A 59 GLU HGy 1.0 . 4.50 140 127 A 62 ILE HG2% A 59 GLU HGy 1.0 . 5.36 141 128 A 59 GLU HBy A 59 GLU HGy 1.0 . 2.76 142 129 A 35 GLY HAy A 34 LYS HA 1.0 . 5.78 143 130 A 34 LYS HA A 34 LYS HGy 1.0 . 4.22 144 131 A 68 ALA HB% A 64 GLU HA 1.0 . 4.07 145 132 A 64 GLU HBx A 65 ARG HA 1.0 . 4.58 146 133 A 60 ILE HG2% A 64 GLU HBy 1.0 . 5.20 147 134 A 64 GLU HA A 64 GLU HGx 1.0 . 4.20 148 135 A 60 ILE HG2% A 64 GLU HGx 1.0 . 5.16 149 136 A 60 ILE HG2% A 64 GLU HGy 1.0 . 4.89 150 137 A 75 GLU HA A 76 PRO HDy 1.0 . 3.96 151 138 A 13 GLN H A 75 GLU HBy 1.0 . 5.38 152 139 A 74 ALA H A 75 GLU HBx 1.0 . 4.76 153 140 A 12 MET HA A 75 GLU HBy 1.0 . 4.70 154 141 A 75 GLU HGy A 76 PRO HDy 1.0 . 6.00 155 142 A 75 GLU HGy A 76 PRO HDx 1.0 . 6.00 156 143 A 75 GLU HGy A 12 MET HG2 1.0 . 6.00 157 143 A 75 GLU HGy A 12 MET HGy 1.0 . 6.00 158 144 A 11 GLN H A 10 GLN HB2 1.0 . 5.37 159 144 A 10 GLN HBy A 11 GLN H 1.0 . 5.37 160 145 A 52 TYR HE% A 10 GLN HB2 1.0 . 4.78 161 145 A 10 GLN HBy A 52 TYR HE% 1.0 . 4.78 162 146 A 50 VAL HG2% A 10 GLN HB2 1.0 . 4.83 163 146 A 50 VAL HG2% A 10 GLN HBy 1.0 . 4.83 164 147 A 11 GLN H A 10 GLN HG2 1.0 . 5.09 165 147 A 10 GLN HGy A 11 GLN H 1.0 . 5.09 166 148 A 49 THR HA A 10 GLN HG2 1.0 . 5.54 167 148 A 10 GLN HGy A 49 THR HA 1.0 . 5.54 168 149 A 50 VAL HG2% A 10 GLN HG2 1.0 . 4.30 169 149 A 50 VAL HG2% A 10 GLN HGy 1.0 . 4.30 170 150 A 52 TYR HE% A 10 GLN HG2 1.0 . 6.00 171 150 A 10 GLN HGy A 52 TYR HE% 1.0 . 6.00 172 151 A 52 TYR HD% A 10 GLN HG2 1.0 . 6.00 173 151 A 52 TYR HD% A 10 GLN HGy 1.0 . 6.00 174 152 A 10 GLN HG2 A 75 GLU HGx 1.0 . 3.69 175 152 A 10 GLN HGy A 75 GLU HGx 1.0 . 3.69 176 153 A 12 MET H A 10 GLN HG2 1.0 . 6.00 177 153 A 10 GLN HGy A 12 MET H 1.0 . 6.00 178 154 A 12 MET H A 10 GLN HB2 1.0 . 6.00 179 154 A 10 GLN HBy A 12 MET H 1.0 . 6.00 180 155 A 13 GLN HGx A 47 ARG HBx 1.0 . 3.54 181 156 A 13 GLN H A 13 GLN HGx 1.0 . 6.00 182 157 A 11 GLN HA A 50 VAL H 1.0 . 5.76 183 158 A 12 MET H A 11 GLN HBx 1.0 . 6.00 184 159 A 12 MET H A 11 GLN HBy 1.0 . 6.00 185 160 A 49 THR HA A 11 GLN HG2 1.0 . 5.72 186 160 A 49 THR HA A 11 GLN HGy 1.0 . 5.72 187 161 A 63 GLN HA A 66 ILE HD1% 1.0 . 4.86 188 162 A 63 GLN HA A 73 LEU HD2% 1.0 . 4.52 189 163 A 63 GLN HBx A 64 GLU H 1.0 . 5.24 190 164 A 64 GLU H A 63 GLN HBy 1.0 . 5.54 191 165 A 63 GLN HBy A 73 LEU HD1% 1.0 . 4.20 192 166 A 63 GLN HG2 A 73 LEU HD1% 1.0 . 6.00 193 166 A 63 GLN HGy A 73 LEU HD1% 1.0 . 6.00 194 167 A 66 ILE HD1% A 62 ILE HB 1.0 . 4.94 195 168 A 63 GLN H A 62 ILE HB 1.0 . 5.04 196 169 A 48 LEU HD1% A 12 MET HG2 1.0 . 5.06 197 169 A 12 MET HGy A 48 LEU HD1% 1.0 . 5.06 198 170 A 12 MET HG2 A 73 LEU HD1% 1.0 . 4.99 199 170 A 12 MET HGy A 73 LEU HD1% 1.0 . 4.99 200 171 A 14 VAL HB A 12 MET HG2 1.0 . 3.86 201 171 A 12 MET HGy A 14 VAL HB 1.0 . 3.86 202 172 A 12 MET HGy A 73 LEU HB2 1.0 . 4.40 203 172 A 12 MET HG2 A 73 LEU HB2 1.0 . 4.40 204 172 A 73 LEU HBy A 12 MET HG2 1.0 . 4.40 205 172 A 73 LEU HBy A 12 MET HGy 1.0 . 4.40 206 173 A 76 PRO HDx A 12 MET HG2 1.0 . 6.00 207 173 A 76 PRO HDx A 12 MET HGy 1.0 . 6.00 208 174 A 17 MET HBy A 23 ALA HA 1.0 . 4.71 209 175 A 17 MET HBy A 48 LEU HG 1.0 . 5.77 210 176 A 17 MET HGx A 22 CYS HBx 1.0 . 6.00 211 177 A 41 VAL HG1% A 17 MET HGx 1.0 . 4.53 212 178 A 17 MET H A 17 MET HGy 1.0 . 5.04 213 179 A 17 MET HGy A 16 GLY H 1.0 . 6.00 214 180 A 46 GLY HAx A 17 MET HGy 1.0 . 5.16 215 181 A 41 VAL HG1% A 17 MET HGy 1.0 . 4.46 216 182 A 17 MET HGx A 26 ILE HD1% 1.0 . 6.00 217 183 A 17 MET HGy A 26 ILE HB 1.0 . 4.36 218 184 A 7 LEU HG A 8 LYS HBy 1.0 . 5.06 219 185 A 52 TYR HD% A 8 LYS HE2 1.0 . 5.37 220 185 A 52 TYR HD% A 8 LYS HEy 1.0 . 5.37 221 186 A 54 PRO HGy A 8 LYS HE2 1.0 . 6.00 222 186 A 8 LYS HEy A 54 PRO HGy 1.0 . 6.00 223 187 A 54 PRO HBy A 8 LYS HE2 1.0 . 6.00 224 187 A 8 LYS HEy A 54 PRO HBy 1.0 . 6.00 225 188 A 36 VAL H A 34 LYS HA 1.0 . 5.39 226 189 A 33 LEU HA A 34 LYS HB2 1.0 . 4.29 227 189 A 33 LEU HA A 34 LYS HBy 1.0 . 4.29 228 190 A 41 VAL HG1% A 26 ILE HG1y 1.0 . 4.60 229 191 A 56 GLN H A 55 LYS HB2 1.0 . 6.00 230 191 A 55 LYS HBy A 56 GLN H 1.0 . 6.00 231 192 A 55 LYS H A 55 LYS HGy 1.0 . 5.05 232 193 A 55 LYS HGx A 55 LYS HA 1.0 . 4.24 233 194 A 55 LYS H A 55 LYS HD2 1.0 . 5.00 234 194 A 55 LYS H A 55 LYS HDy 1.0 . 5.00 235 195 A 55 LYS HA A 55 LYS HD2 1.0 . 4.77 236 195 A 55 LYS HA A 55 LYS HDy 1.0 . 4.77 237 196 A 7 LEU HA A 7 LEU HG 1.0 . 4.26 238 197 A 7 LEU HA A 8 LYS HGx 1.0 . 3.82 239 198 A 8 LYS H A 7 LEU HBy 1.0 . 5.35 240 199 A 8 LYS H A 7 LEU HBx 1.0 . 5.26 241 200 A 7 LEU HG A 8 LYS HA 1.0 . 6.00 242 201 A 51 THR HG2% A 7 LEU HG 1.0 . 6.00 243 202 A 7 LEU HA A 7 LEU HD1% 1.0 . 5.13 244 203 A 7 LEU HBy A 7 LEU HD1% 1.0 . 3.53 245 204 A 51 THR HG2% A 7 LEU HD1% 1.0 . 3.59 246 205 A 7 LEU HD2% A 8 LYS H 1.0 . 4.84 247 206 A 7 LEU HD2% A 53 ASP H 1.0 . 6.00 248 207 A 33 LEU HD1% A 33 LEU HA 1.0 . 4.07 249 208 A 33 LEU HA A 33 LEU HG 1.0 . 4.08 250 209 A 33 LEU HD2% A 33 LEU HA 1.0 . 4.62 251 210 A 33 LEU HD1% A 33 LEU HB2 1.0 . 3.63 252 210 A 33 LEU HD1% A 33 LEU HBy 1.0 . 3.63 253 211 A 30 LEU HA A 33 LEU HG 1.0 . 4.25 254 212 A 33 LEU HG A 29 ALA HB% 1.0 . 4.75 255 213 A 33 LEU HD1% A 62 ILE HA 1.0 . 4.39 256 214 A 33 LEU HD1% A 61 THR HG2% 1.0 . 5.42 257 215 A 33 LEU HD1% A 65 ARG H 1.0 . 5.90 258 216 A 33 LEU HD2% A 61 THR HG2% 1.0 . 4.47 259 217 A 33 LEU HD2% A 62 ILE HA 1.0 . 4.98 260 218 A 33 LEU HD2% A 65 ARG H 1.0 . 5.44 261 219 A 33 LEU HD2% A 29 ALA HB% 1.0 . 4.18 262 220 A 30 LEU HG A 31 GLU HA 1.0 . 4.90 263 221 A 30 LEU HD1% A 34 LYS H 1.0 . 5.81 264 222 A 30 LEU HD1% A 33 LEU H 1.0 . 5.51 265 223 A 30 LEU HD1% A 62 ILE HA 1.0 . 4.88 266 224 A 30 LEU HD1% A 61 THR HG2% 1.0 . 4.46 267 225 A 30 LEU HD1% A 62 ILE HG1x 1.0 . 4.53 268 226 A 30 LEU HD1% A 62 ILE HD1% 1.0 . 5.47 269 227 A 30 LEU HD2% A 61 THR HG2% 1.0 . 5.85 270 228 A 30 LEU HD2% A 50 VAL HG1% 1.0 . 5.39 271 229 A 48 LEU HA A 48 LEU HD2% 1.0 . 3.73 272 230 A 48 LEU HA A 14 VAL HG2% 1.0 . 4.18 273 231 A 66 ILE HD1% A 48 LEU HBx 1.0 . 4.63 274 232 A 66 ILE HD1% A 48 LEU HBy 1.0 . 4.60 275 233 A 62 ILE HG2% A 48 LEU HBx 1.0 . 4.51 276 234 A 48 LEU HA A 48 LEU HD1% 1.0 . 5.50 277 235 A 50 VAL HG1% A 48 LEU HD1% 1.0 . 4.73 278 236 A 48 LEU HD1% A 48 LEU HBy 1.0 . 4.05 279 237 A 50 VAL HB A 48 LEU HD1% 1.0 . 4.40 280 238 A 48 LEU HD2% A 49 THR H 1.0 . 4.31 281 239 A 48 LEU HD2% A 48 LEU H 1.0 . 5.39 282 240 A 50 VAL HB A 48 LEU HD2% 1.0 . 4.05 283 241 A 50 VAL HG1% A 48 LEU HD2% 1.0 . 4.86 284 242 A 69 LEU HA A 71 TYR H 1.0 . 5.26 285 243 A 69 LEU HA A 69 LEU HD2% 1.0 . 5.75 286 244 A 69 LEU HA A 25 SER HBx 1.0 . 4.96 287 245 A 69 LEU HA A 25 SER HBy 1.0 . 5.60 288 246 A 69 LEU HA A 69 LEU HD1% 1.0 . 5.15 289 247 A 69 LEU HD1% A 69 LEU HB2 1.0 . 3.69 290 247 A 69 LEU HD1% A 69 LEU HBy 1.0 . 3.69 291 248 A 74 ALA H A 73 LEU HB2 1.0 . 5.82 292 248 A 73 LEU HBy A 74 ALA H 1.0 . 5.82 293 249 A 73 LEU HBy A 73 LEU HD1% 1.0 . 3.85 294 249 A 73 LEU HD2% A 73 LEU HB2 1.0 . 3.85 295 249 A 73 LEU HBy A 73 LEU HD2% 1.0 . 3.85 296 249 A 73 LEU HB2 A 73 LEU HD1% 1.0 . 3.85 297 250 A 73 LEU HG A 74 ALA HA 1.0 . 4.40 298 251 A 66 ILE HA A 73 LEU HD1% 1.0 . 6.00 299 252 A 75 GLU HBx A 73 LEU HD1% 1.0 . 6.00 300 253 A 62 ILE HB A 73 LEU HD1% 1.0 . 6.00 301 254 A 67 ALA HB% A 73 LEU HD1% 1.0 . 6.00 302 255 A 72 THR HG2% A 73 LEU HD1% 1.0 . 6.00 303 256 A 62 ILE HA A 65 ARG HB2 1.0 . 4.77 304 256 A 62 ILE HA A 65 ARG HBy 1.0 . 4.77 305 257 A 62 ILE HG2% A 62 ILE HA 1.0 . 4.25 306 258 A 62 ILE HA A 65 ARG H 1.0 . 6.00 307 259 A 66 ILE HD1% A 62 ILE HA 1.0 . 4.03 308 260 A 62 ILE HG2% A 63 GLN HA 1.0 . 5.94 309 261 A 62 ILE HG2% A 64 GLU HGx 1.0 . 5.37 310 262 A 62 ILE HG2% A 62 ILE HG1y 1.0 . 4.04 311 263 A 66 ILE HD1% A 62 ILE HG1x 1.0 . 4.94 312 264 A 48 LEU HD1% A 62 ILE HG1x 1.0 . 5.24 313 265 A 50 VAL HG2% A 62 ILE HG1y 1.0 . 5.64 314 266 A 62 ILE HD1% A 52 TYR HD% 1.0 . 5.09 315 267 A 62 ILE HD1% A 52 TYR HE% 1.0 . 5.60 316 268 A 62 ILE HD1% A 62 ILE HA 1.0 . 5.37 317 269 A 50 VAL HB A 62 ILE HD1% 1.0 . 4.82 318 270 A 62 ILE HD1% A 62 ILE HB 1.0 . 4.21 319 271 A 50 VAL HG2% A 62 ILE HD1% 1.0 . 3.68 320 272 A 62 ILE HD1% A 62 ILE HG2% 1.0 . 3.46 321 273 A 62 ILE HD1% A 66 ILE HD1% 1.0 . 3.73 322 274 A 62 ILE HD1% A 75 GLU HBy 1.0 . 6.00 323 274 A 62 ILE HD1% A 75 GLU HBx 1.0 . 6.00 324 275 A 62 ILE HD1% A 75 GLU HGx 1.0 . 4.84 325 276 A 60 ILE HG2% A 60 ILE HA 1.0 . 4.10 326 277 A 64 GLU HGx A 60 ILE HA 1.0 . 4.46 327 278 A 63 GLN HBx A 60 ILE HA 1.0 . 4.09 328 279 A 60 ILE HG2% A 60 ILE H 1.0 . 6.00 329 280 A 60 ILE HG2% A 57 VAL HB 1.0 . 4.80 330 281 A 60 ILE HG2% A 63 GLN HBy 1.0 . 5.07 331 282 A 57 VAL HG1% A 60 ILE HG2% 1.0 . 3.97 332 283 A 60 ILE HG2% A 63 GLN HBx 1.0 . 4.88 333 284 A 60 ILE HD1% A 61 THR H 1.0 . 6.00 334 285 A 60 ILE HD1% A 60 ILE HA 1.0 . 4.95 335 286 A 60 ILE HD1% A 63 GLN HBx 1.0 . 4.99 336 287 A 60 ILE HG1x A 64 GLU HGx 1.0 . 5.71 337 288 A 66 ILE HD1% A 66 ILE HA 1.0 . 4.45 338 289 A 66 ILE HD1% A 63 GLN HGy 1.0 . 6.00 339 290 A 66 ILE HD1% A 66 ILE HB 1.0 . 4.21 340 291 A 66 ILE HD1% A 26 ILE HD1% 1.0 . 6.00 341 292 A 32 ARG HA A 32 ARG HG2 1.0 . 3.84 342 292 A 32 ARG HA A 32 ARG HGy 1.0 . 3.84 343 293 A 28 ARG HGx A 32 ARG HD2 1.0 . 6.00 344 293 A 28 ARG HGx A 32 ARG HDy 1.0 . 6.00 345 294 A 32 ARG HA A 32 ARG HD2 1.0 . 6.00 346 294 A 32 ARG HA A 32 ARG HDy 1.0 . 6.00 347 295 A 47 ARG HBx A 48 LEU H 1.0 . 6.00 348 296 A 47 ARG HBx A 42 THR HB 1.0 . 4.96 349 297 A 42 THR HG2% A 47 ARG HBx 1.0 . 4.58 350 298 A 47 ARG HA A 47 ARG HD2 1.0 . 5.08 351 298 A 47 ARG HA A 47 ARG HDy 1.0 . 5.08 352 299 A 48 LEU H A 47 ARG HD2 1.0 . 5.05 353 299 A 48 LEU H A 47 ARG HDy 1.0 . 5.05 354 300 A 11 GLN HG2 A 47 ARG HD2 1.0 . 4.88 355 300 A 11 GLN HGy A 47 ARG HD2 1.0 . 4.88 356 300 A 47 ARG HDy A 11 GLN HG2 1.0 . 4.88 357 300 A 11 GLN HGy A 47 ARG HDy 1.0 . 4.88 358 301 A 26 ILE HB A 65 ARG HDy 1.0 . 4.57 359 302 A 65 ARG HA A 65 ARG HDy 1.0 . 4.64 360 303 A 65 ARG HA A 65 ARG HDx 1.0 . 4.79 361 304 A 65 ARG HDx A 65 ARG HB2 1.0 . 4.05 362 304 A 65 ARG HBy A 65 ARG HDx 1.0 . 4.05 363 305 A 65 ARG HDx A 69 LEU HG 1.0 . 4.70 364 306 A 19 CYS HBy A 20 ALA H 1.0 . 5.45 365 307 A 26 ILE HA A 26 ILE HG2% 1.0 . 4.17 366 308 A 26 ILE HA A 65 ARG HGx 1.0 . 5.43 367 309 A 48 LEU HD1% A 26 ILE HB 1.0 . 5.18 368 310 A 30 LEU H A 26 ILE HG2% 1.0 . 4.94 369 311 A 27 GLU HGy A 26 ILE HG2% 1.0 . 4.35 370 312 A 26 ILE HG2% A 66 ILE HG1x 1.0 . 4.63 371 313 A 41 VAL HG1% A 26 ILE HG2% 1.0 . 3.61 372 314 A 26 ILE HG1y A 26 ILE H 1.0 . 4.83 373 315 A 71 TYR HD% A 26 ILE HD1% 1.0 . 4.70 374 316 A 26 ILE HD1% A 25 SER HA 1.0 . 4.83 375 317 A 26 ILE HD1% A 26 ILE HA 1.0 . 4.82 376 318 A 26 ILE HD1% A 66 ILE HG1y 1.0 . 3.88 377 319 A 26 ILE HD1% A 26 ILE HG2% 1.0 . 3.41 378 320 A 66 ILE HG2% A 26 ILE HD1% 1.0 . 3.41 379 321 A 26 ILE HD1% A 66 ILE HG1x 1.0 . 6.00 380 322 A 26 ILE HD1% A 65 ARG HGx 1.0 . 5.77 381 323 A 43 VAL HG2% A 18 ARG HBx 1.0 . 3.83 382 324 A 28 ARG H A 28 ARG HGy 1.0 . 5.42 383 325 A 28 ARG HGy A 28 ARG HA 1.0 . 3.97 384 326 A 18 ARG HBx A 18 ARG HDx 1.0 . 4.01 385 327 A 27 GLU H A 27 GLU HGx 1.0 . 4.92 386 328 A 41 VAL HG2% A 27 GLU HGx 1.0 . 6.00 387 329 A 48 LEU HD2% A 27 GLU HGx 1.0 . 5.78 388 330 A 41 VAL HG1% A 27 GLU HGx 1.0 . 5.27 389 331 A 39 ALA HB% A 27 GLU HGx 1.0 . 5.50 390 332 A 27 GLU HGx A 40 SER HA 1.0 . 5.59 391 333 A 41 VAL HG1% A 27 GLU HGy 1.0 . 4.79 392 334 A 27 GLU HGy A 48 LEU HD2% 1.0 . 5.32 393 335 A 30 LEU H A 27 GLU HA 1.0 . 6.00 394 336 A 48 LEU HD2% A 27 GLU HA 1.0 . 6.00 395 337 A 39 ALA HB% A 27 GLU HA 1.0 . 6.00 396 338 A 49 THR HB A 40 SER HB2 1.0 . 4.15 397 338 A 40 SER HBy A 49 THR HB 1.0 . 4.15 398 339 A 49 THR HA A 49 THR HG2% 1.0 . 4.22 399 340 A 50 VAL HA A 49 THR HG2% 1.0 . 5.02 400 341 A 49 THR HG2% A 40 SER H 1.0 . 5.71 401 342 A 39 ALA HA A 51 THR H 1.0 . 5.05 402 343 A 39 ALA HA A 50 VAL HG1% 1.0 . 5.36 403 344 A 39 ALA HA A 40 SER HB2 1.0 . 6.00 404 344 A 39 ALA HA A 40 SER HBy 1.0 . 6.00 405 345 A 48 LEU HA A 41 VAL HA 1.0 . 5.01 406 346 A 14 VAL HG1% A 47 ARG HA 1.0 . 5.57 407 347 A 14 VAL HG1% A 15 GLY H 1.0 . 6.00 408 348 A 14 VAL HG1% A 48 LEU HD1% 1.0 . 3.90 409 349 A 11 GLN HA A 49 THR HA 1.0 . 5.04 410 350 A 10 GLN H A 49 THR HA 1.0 . 4.14 411 351 A 52 TYR HA A 37 ALA HB% 1.0 . 5.21 412 352 A 37 ALA HB% A 51 THR HB 1.0 . 4.13 413 353 A 37 ALA HB% A 38 GLU HGx 1.0 . 4.20 414 354 A 57 VAL HG2% A 52 TYR HE% 1.0 . 5.53 415 355 A 7 LEU HD2% A 6 PRO HG2 1.0 . 4.22 416 355 A 7 LEU HD2% A 6 PRO HGy 1.0 . 4.22 417 356 A 68 ALA HB% A 70 GLY H 1.0 . 5.43 418 357 A 68 ALA HB% A 68 ALA H 1.0 . 4.15 419 358 A 17 MET H A 15 GLY HA2 1.0 . 5.68 420 358 A 17 MET H A 15 GLY HAy 1.0 . 5.68 421 359 A 16 GLY HAy A 15 GLY HA2 1.0 . 3.72 422 359 A 15 GLY HAy A 16 GLY HAy 1.0 . 3.72 423 360 A 56 GLN HBx A 35 GLY HAx 1.0 . 5.59 424 361 A 57 VAL HG2% A 35 GLY HAx 1.0 . 4.37 425 362 A 56 GLN HBy A 35 GLY HAx 1.0 . 4.92 426 363 A 61 THR HG2% A 61 THR HA 1.0 . 3.87 427 364 A 64 GLU HGx A 61 THR HA 1.0 . 4.43 428 365 A 62 ILE HB A 61 THR HB 1.0 . 4.70 429 366 A 29 ALA HA A 32 ARG HD2 1.0 . 5.10 430 366 A 32 ARG HDy A 29 ALA HA 1.0 . 5.10 431 367 A 29 ALA HA A 32 ARG HG2 1.0 . 5.76 432 367 A 32 ARG HGy A 29 ALA HA 1.0 . 5.76 433 368 A 30 LEU H A 29 ALA HB% 1.0 . 4.82 434 369 A 30 LEU HD2% A 29 ALA HB% 1.0 . 5.02 435 370 A 30 LEU HBx A 29 ALA HB% 1.0 . 4.62 436 371 A 28 ARG HA A 28 ARG HD2 1.0 . 5.75 437 371 A 28 ARG HA A 28 ARG HDy 1.0 . 5.75 438 372 A 28 ARG HBx A 29 ALA H 1.0 . 6.00 439 373 A 28 ARG HGx A 28 ARG H 1.0 . 5.89 440 374 A 62 ILE HD1% A 27 GLU HA 1.0 . 6.00 441 375 A 12 MET HA A 76 PRO HDx 1.0 . 3.57 442 376 A 52 TYR HE% A 54 PRO HA 1.0 . 4.62 443 377 A 52 TYR HD% A 54 PRO HA 1.0 . 5.09 444 378 A 55 LYS H A 54 PRO HDy 1.0 . 4.67 445 379 A 52 TYR HE% A 54 PRO HB2 1.0 . 4.81 446 380 A 52 TYR HE% A 54 PRO HBy 1.0 . 5.48 447 381 A 23 ALA HA A 26 ILE HD1% 1.0 . 4.91 448 382 A 23 ALA HA A 26 ILE HG2% 1.0 . 4.33 449 383 A 41 VAL HG1% A 23 ALA HA 1.0 . 5.08 450 384 A 23 ALA HA A 41 VAL HB 1.0 . 4.79 451 385 A 23 ALA HA A 26 ILE H 1.0 . 6.00 452 386 A 43 VAL HA A 23 ALA HA 1.0 . 6.00 453 387 A 41 VAL HG2% A 23 ALA HB1 1.0 . 4.05 454 388 A 43 VAL HG2% A 23 ALA HB1 1.0 . 4.68 455 389 A 41 VAL HG1% A 23 ALA HB1 1.0 . 4.80 456 390 A 24 SER HA A 28 ARG HBy 1.0 . 5.37 457 391 A 28 ARG HBx A 24 SER HA 1.0 . 5.37 458 392 A 23 ALA HB1 A 24 SER HA 1.0 . 5.24 459 393 A 24 SER H A 24 SER HB2 1.0 . 3.98 460 393 A 24 SER H A 24 SER HBy 1.0 . 3.98 461 394 A 25 SER H A 24 SER HB2 1.0 . 4.82 462 394 A 24 SER HBy A 25 SER H 1.0 . 4.82 463 395 A 21 ALA HB% A 24 SER HB2 1.0 . 5.41 464 395 A 24 SER HBy A 21 ALA HB% 1.0 . 5.41 465 396 A 18 ARG HGx A 22 CYS HBy 1.0 . 4.38 466 397 A 19 CYS HBy A 18 ARG HA 1.0 . 4.20 467 398 A 20 ALA H A 19 CYS HBx 1.0 . 4.51 468 399 A 37 ALA HB% A 7 LEU HD1% 1.0 . 4.06 469 400 A 7 LEU HD2% A 37 ALA HB% 1.0 . 4.13 470 401 A 73 LEU HA A 15 GLY H 1.0 . 4.44 471 402 A 73 LEU HA A 73 LEU HD1% 1.0 . 4.35 472 403 A 73 LEU HA A 73 LEU HG 1.0 . 4.14 473 404 A 8 LYS HA A 8 LYS HD2 1.0 . 4.57 474 404 A 8 LYS HA A 8 LYS HDy 1.0 . 4.57 475 405 A 51 THR HG2% A 8 LYS HA 1.0 . 4.52 476 406 A 9 THR HG2% A 51 THR HA 1.0 . 5.89 477 407 A 9 THR HG2% A 10 GLN HB2 1.0 . 4.61 478 407 A 9 THR HG2% A 10 GLN HBy 1.0 . 4.61 479 408 A 50 VAL HG2% A 52 TYR HE% 1.0 . 5.17 480 409 A 49 THR HG2% A 11 GLN HG2 1.0 . 4.11 481 409 A 11 GLN HGy A 49 THR HG2% 1.0 . 4.11 482 410 A 13 GLN HGx A 74 ALA HB% 1.0 . 4.25 483 411 A 30 LEU HA A 29 ALA HB% 1.0 . 4.31 484 412 A 36 VAL HG2% A 31 GLU HA 1.0 . 4.34 485 413 A 32 ARG HA A 31 GLU H 1.0 . 5.10 486 414 A 34 LYS HA A 34 LYS HD2 1.0 . 6.00 487 414 A 34 LYS HA A 34 LYS HDy 1.0 . 6.00 488 415 A 33 LEU HA A 32 ARG H 1.0 . 5.04 489 416 A 33 LEU HD1% A 62 ILE HG1x 1.0 . 5.17 490 417 A 44 ALA HB% A 45 THR H 1.0 . 5.38 491 418 A 45 THR HG2% A 45 THR H 1.0 . 5.51 492 419 A 7 LEU H A 7 LEU HD1% 1.0 . 4.21 493 420 A 7 LEU H A 8 LYS HGx 1.0 . 4.72 494 421 A 7 LEU H A 7 LEU HG 1.0 . 4.20 495 422 A 7 LEU H A 6 PRO HD2 1.0 . 4.93 496 422 A 7 LEU H A 6 PRO HDy 1.0 . 4.93 497 423 A 8 LYS H A 7 LEU HD1% 1.0 . 4.93 498 424 A 51 THR HG2% A 8 LYS H 1.0 . 3.98 499 425 A 8 LYS H A 8 LYS HD2 1.0 . 5.07 500 425 A 8 LYS H A 8 LYS HDy 1.0 . 5.07 501 426 A 52 TYR H A 8 LYS H 1.0 . 4.99 502 427 A 52 TYR H A 7 LEU HD1% 1.0 . 5.08 503 428 A 50 VAL HG2% A 52 TYR H 1.0 . 4.31 504 429 A 52 TYR H A 52 TYR HE% 1.0 . 4.82 505 430 A 9 THR HG2% A 9 THR H 1.0 . 4.15 506 431 A 9 THR H A 9 THR HB 1.0 . 4.20 507 432 A 9 THR H A 8 LYS HD2 1.0 . 6.00 508 432 A 8 LYS HDy A 9 THR H 1.0 . 6.00 509 433 A 9 THR H A 8 LYS HGy 1.0 . 4.95 510 434 A 50 VAL HG2% A 10 GLN H 1.0 . 4.22 511 435 A 10 GLN H A 9 THR HB 1.0 . 6.00 512 436 A 10 GLN H A 10 GLN HG2 1.0 . 5.86 513 436 A 10 GLN H A 10 GLN HGy 1.0 . 5.86 514 437 A 10 GLN H A 51 THR HA 1.0 . 4.83 515 438 A 10 GLN H A 52 TYR HE% 1.0 . 6.00 516 439 A 11 GLN H A 11 GLN HBy 1.0 . 4.14 517 439 A 11 GLN H A 11 GLN HBx 1.0 . 4.14 518 440 A 11 GLN H A 11 GLN HG2 1.0 . 4.14 519 440 A 11 GLN H A 11 GLN HGy 1.0 . 4.14 520 441 A 11 GLN H A 75 GLU HGx 1.0 . 4.35 521 442 A 50 VAL HG2% A 11 GLN H 1.0 . 5.53 522 443 A 10 GLN H A 11 GLN H 1.0 . 5.75 523 444 A 49 THR HA A 12 MET H 1.0 . 4.78 524 445 A 12 MET H A 13 GLN HA 1.0 . 4.83 525 446 A 12 MET H A 48 LEU HBx 1.0 . 5.58 526 447 A 50 VAL HG2% A 12 MET H 1.0 . 6.00 527 448 A 13 GLN H A 12 MET H 1.0 . 6.00 528 449 A 14 VAL HG1% A 14 VAL H 1.0 . 3.99 529 450 A 66 ILE HG2% A 15 GLY H 1.0 . 4.22 530 451 A 15 GLY H A 72 THR H 1.0 . 4.92 531 452 A 17 MET H A 16 GLY H 1.0 . 5.17 532 453 A 30 LEU HD2% A 30 LEU H 1.0 . 3.92 533 454 A 30 LEU HBy A 30 LEU H 1.0 . 3.45 534 455 A 30 LEU HD1% A 31 GLU H 1.0 . 5.17 535 456 A 31 GLU H A 31 GLU HB2 1.0 . 3.82 536 456 A 31 GLU HBy A 31 GLU H 1.0 . 3.82 537 457 A 31 GLU H A 31 GLU HG2 1.0 . 4.64 538 457 A 31 GLU HGy A 31 GLU H 1.0 . 4.64 539 458 A 30 LEU HBx A 31 GLU H 1.0 . 4.99 540 459 A 33 LEU H A 31 GLU H 1.0 . 5.78 541 460 A 31 GLU H A 32 ARG H 1.0 . 4.49 542 461 A 29 ALA HA A 32 ARG H 1.0 . 4.68 543 462 A 33 LEU HD2% A 32 ARG H 1.0 . 5.99 544 463 A 32 ARG H A 32 ARG HB2 1.0 . 4.06 545 463 A 32 ARG H A 32 ARG HBy 1.0 . 4.06 546 464 A 32 ARG H A 32 ARG HG2 1.0 . 3.63 547 464 A 32 ARG HGy A 32 ARG H 1.0 . 3.63 548 465 A 32 ARG H A 32 ARG HD2 1.0 . 6.00 549 465 A 32 ARG HDy A 32 ARG H 1.0 . 6.00 550 466 A 33 LEU HD2% A 33 LEU H 1.0 . 4.45 551 467 A 29 ALA HB% A 33 LEU H 1.0 . 4.40 552 468 A 33 LEU HG A 33 LEU H 1.0 . 3.57 553 469 A 31 GLU HA A 33 LEU H 1.0 . 5.62 554 470 A 33 LEU H A 32 ARG H 1.0 . 4.08 555 471 A 34 LYS H A 33 LEU H 1.0 . 6.00 556 472 A 33 LEU H A 31 GLU HG2 1.0 . 5.24 557 472 A 31 GLU HGy A 33 LEU H 1.0 . 5.24 558 473 A 34 LYS HGy A 34 LYS H 1.0 . 4.77 559 474 A 34 LYS H A 34 LYS HB2 1.0 . 3.50 560 474 A 34 LYS HBy A 34 LYS H 1.0 . 3.50 561 475 A 33 LEU HA A 34 LYS H 1.0 . 3.55 562 476 A 36 VAL H A 34 LYS H 1.0 . 5.35 563 477 A 33 LEU HD2% A 34 LYS H 1.0 . 4.43 564 478 A 35 GLY H A 34 LYS HB2 1.0 . 4.82 565 478 A 35 GLY H A 34 LYS HBy 1.0 . 4.82 566 479 A 35 GLY H A 34 LYS HGx 1.0 . 5.13 567 480 A 36 VAL HG1% A 36 VAL H 1.0 . 4.44 568 481 A 36 VAL H A 35 GLY H 1.0 . 4.36 569 482 A 37 ALA H A 36 VAL HG2% 1.0 . 4.22 570 483 A 38 GLU H A 37 ALA H 1.0 . 4.34 571 484 A 37 ALA H A 52 TYR HBx 1.0 . 4.95 572 485 A 52 TYR HA A 37 ALA H 1.0 . 4.41 573 486 A 37 ALA H A 50 VAL HG1% 1.0 . 5.56 574 487 A 38 GLU H A 39 ALA HB% 1.0 . 3.93 575 488 A 38 GLU H A 51 THR H 1.0 . 3.84 576 489 A 38 GLU H A 36 VAL HG2% 1.0 . 4.21 577 490 A 38 GLU H A 50 VAL HG1% 1.0 . 5.03 578 491 A 38 GLU H A 51 THR HB 1.0 . 4.33 579 492 A 38 GLU H A 50 VAL HA 1.0 . 6.00 580 493 A 38 GLU HBy A 39 ALA H 1.0 . 6.00 581 494 A 39 ALA HB% A 40 SER H 1.0 . 4.45 582 495 A 48 LEU HD2% A 40 SER H 1.0 . 4.33 583 496 A 50 VAL HG1% A 40 SER H 1.0 . 5.46 584 497 A 50 VAL HB A 40 SER H 1.0 . 5.76 585 498 A 49 THR H A 40 SER H 1.0 . 5.45 586 499 A 41 VAL HG1% A 41 VAL H 1.0 . 4.61 587 500 A 41 VAL H A 41 VAL HB 1.0 . 3.90 588 501 A 41 VAL H A 27 GLU HGx 1.0 . 5.12 589 502 A 41 VAL H A 40 SER HB2 1.0 . 4.63 590 502 A 41 VAL H A 40 SER HBy 1.0 . 4.63 591 503 A 42 THR H A 41 VAL H 1.0 . 5.55 592 504 A 41 VAL HG2% A 41 VAL H 1.0 . 4.80 593 505 A 42 THR H A 41 VAL HG1% 1.0 . 4.66 594 506 A 42 THR H A 41 VAL HB 1.0 . 5.82 595 507 A 42 THR H A 42 THR HB 1.0 . 4.12 596 508 A 42 THR H A 48 LEU HA 1.0 . 4.92 597 509 A 42 THR H A 41 VAL HG2% 1.0 . 4.21 598 510 A 43 VAL HG1% A 43 VAL H 1.0 . 4.57 599 511 A 42 THR HG2% A 43 VAL H 1.0 . 4.51 600 512 A 44 ALA HB% A 44 ALA H 1.0 . 4.02 601 513 A 43 VAL HB A 44 ALA H 1.0 . 5.29 602 514 A 42 THR HG2% A 45 THR H 1.0 . 3.98 603 515 A 42 THR HB A 45 THR H 1.0 . 5.01 604 516 A 43 VAL HA A 45 THR H 1.0 . 6.00 605 517 A 45 THR H A 47 ARG H 1.0 . 5.80 606 518 A 45 THR H A 46 GLY H 1.0 . 3.91 607 519 A 46 GLY H A 18 ARG HGy 1.0 . 4.91 608 520 A 47 ARG H A 46 GLY H 1.0 . 4.26 609 521 A 47 ARG HBx A 47 ARG H 1.0 . 3.67 610 522 A 42 THR H A 47 ARG H 1.0 . 5.72 611 523 A 14 VAL HG2% A 47 ARG H 1.0 . 6.00 612 524 A 48 LEU HG A 47 ARG H 1.0 . 5.73 613 525 A 48 LEU HD1% A 48 LEU H 1.0 . 5.16 614 526 A 48 LEU HBy A 48 LEU H 1.0 . 4.11 615 527 A 48 LEU HD1% A 49 THR H 1.0 . 4.12 616 528 A 48 LEU HBy A 49 THR H 1.0 . 6.00 617 529 A 49 THR H A 49 THR HG2% 1.0 . 5.13 618 530 A 41 VAL HG1% A 49 THR H 1.0 . 4.94 619 531 A 51 THR H A 50 VAL HB 1.0 . 4.76 620 532 A 51 THR H A 36 VAL HG2% 1.0 . 5.20 621 533 A 36 VAL HA A 53 ASP H 1.0 . 5.26 622 534 A 53 ASP H A 7 LEU HD1% 1.0 . 4.97 623 535 A 52 TYR HD% A 53 ASP H 1.0 . 5.58 624 536 A 55 LYS H A 55 LYS HB2 1.0 . 3.35 625 536 A 55 LYS HBy A 55 LYS H 1.0 . 3.35 626 537 A 55 LYS H A 55 LYS HE2 1.0 . 5.83 627 537 A 55 LYS H A 55 LYS HEy 1.0 . 5.83 628 538 A 53 ASP HA A 55 LYS H 1.0 . 5.49 629 539 A 56 GLN H A 55 LYS H 1.0 . 3.86 630 540 A 55 LYS HGx A 55 LYS H 1.0 . 4.00 631 541 A 56 GLN H A 57 VAL H 1.0 . 3.67 632 542 A 57 VAL HG2% A 56 GLN H 1.0 . 5.43 633 543 A 56 GLN H A 56 GLN HG2 1.0 . 4.83 634 543 A 56 GLN H A 56 GLN HGy 1.0 . 4.83 635 544 A 56 GLN HBx A 56 GLN H 1.0 . 4.07 636 545 A 57 VAL HG2% A 57 VAL H 1.0 . 4.12 637 546 A 57 VAL HG1% A 57 VAL H 1.0 . 5.89 638 547 A 57 VAL HG2% A 58 SER H 1.0 . 4.76 639 548 A 57 VAL HG1% A 58 SER H 1.0 . 3.90 640 549 A 57 VAL HB A 58 SER H 1.0 . 5.00 641 550 A 57 VAL HA A 58 SER H 1.0 . 3.48 642 551 A 60 ILE HG1x A 58 SER H 1.0 . 4.69 643 552 A 58 SER H A 58 SER HBy 1.0 . 4.03 644 553 A 58 SER H A 62 ILE H 1.0 . 5.45 645 554 A 58 SER HBx A 59 GLU H 1.0 . 5.23 646 555 A 58 SER HBy A 59 GLU H 1.0 . 4.89 647 556 A 60 ILE HD1% A 60 ILE H 1.0 . 4.78 648 557 A 60 ILE HG1x A 60 ILE H 1.0 . 4.84 649 558 A 60 ILE HB A 60 ILE H 1.0 . 4.01 650 559 A 60 ILE H A 59 GLU H 1.0 . 5.34 651 560 A 60 ILE HG1y A 60 ILE H 1.0 . 4.82 652 561 A 60 ILE H A 61 THR HB 1.0 . 5.01 653 562 A 60 ILE HG2% A 61 THR H 1.0 . 4.29 654 563 A 61 THR HG2% A 61 THR H 1.0 . 4.57 655 564 A 60 ILE HB A 61 THR H 1.0 . 4.07 656 565 A 61 THR H A 61 THR HB 1.0 . 3.66 657 566 A 63 GLN H A 61 THR H 1.0 . 5.49 658 567 A 61 THR H A 59 GLU H 1.0 . 5.94 659 568 A 62 ILE HD1% A 62 ILE H 1.0 . 4.80 660 569 A 62 ILE HG1x A 62 ILE H 1.0 . 4.68 661 570 A 62 ILE HG2% A 62 ILE H 1.0 . 4.39 662 571 A 62 ILE HB A 62 ILE H 1.0 . 3.85 663 572 A 59 GLU HA A 62 ILE H 1.0 . 4.84 664 573 A 60 ILE HA A 62 ILE H 1.0 . 5.08 665 574 A 61 THR HB A 62 ILE H 1.0 . 4.29 666 575 A 63 GLN H A 62 ILE H 1.0 . 4.43 667 576 A 61 THR H A 62 ILE H 1.0 . 3.94 668 577 A 62 ILE HG2% A 63 GLN H 1.0 . 4.69 669 578 A 63 GLN H A 63 GLN HGy 1.0 . 4.18 670 578 A 63 GLN H A 63 GLN HG2 1.0 . 4.18 671 579 A 64 GLU HGx A 64 GLU H 1.0 . 3.49 672 580 A 63 GLN H A 64 GLU H 1.0 . 4.48 673 581 A 60 ILE HG2% A 64 GLU H 1.0 . 4.99 674 582 A 64 GLU H A 67 ALA HB% 1.0 . 5.38 675 583 A 64 GLU HBx A 64 GLU H 1.0 . 3.90 676 584 A 64 GLU HGy A 64 GLU H 1.0 . 4.08 677 585 A 66 ILE HD1% A 65 ARG H 1.0 . 5.48 678 586 A 65 ARG H A 65 ARG HGx 1.0 . 5.44 679 587 A 65 ARG H A 65 ARG HGy 1.0 . 5.33 680 588 A 66 ILE HD1% A 66 ILE H 1.0 . 4.32 681 589 A 66 ILE HG1y A 66 ILE H 1.0 . 4.52 682 590 A 66 ILE HB A 66 ILE H 1.0 . 4.17 683 591 A 66 ILE HG2% A 67 ALA H 1.0 . 4.34 684 592 A 67 ALA HB% A 67 ALA H 1.0 . 3.67 685 593 A 66 ILE HB A 67 ALA H 1.0 . 4.20 686 594 A 64 GLU HA A 67 ALA H 1.0 . 4.92 687 595 A 66 ILE H A 67 ALA H 1.0 . 4.32 688 596 A 65 ARG HA A 67 ALA H 1.0 . 4.80 689 597 A 69 LEU HD1% A 68 ALA H 1.0 . 6.00 690 598 A 68 ALA H A 66 ILE H 1.0 . 5.85 691 599 A 69 LEU H A 65 ARG HA 1.0 . 4.22 692 600 A 69 LEU H A 68 ALA H 1.0 . 4.50 693 601 A 69 LEU H A 69 LEU HD1% 1.0 . 4.85 694 602 A 69 LEU H A 66 ILE HA 1.0 . 5.60 695 603 A 69 LEU H A 71 TYR H 1.0 . 4.80 696 604 A 69 LEU HD1% A 70 GLY H 1.0 . 5.75 697 605 A 71 TYR H A 70 GLY H 1.0 . 4.06 698 606 A 69 LEU H A 70 GLY H 1.0 . 4.25 699 607 A 66 ILE HG2% A 71 TYR H 1.0 . 4.40 700 608 A 67 ALA HA A 71 TYR H 1.0 . 4.75 701 609 A 72 THR HG2% A 72 THR H 1.0 . 5.38 702 610 A 14 VAL HG1% A 72 THR H 1.0 . 4.71 703 611 A 71 TYR HBx A 72 THR H 1.0 . 4.85 704 612 A 71 TYR HBy A 72 THR H 1.0 . 4.22 705 613 A 72 THR H A 14 VAL HA 1.0 . 5.25 706 614 A 71 TYR HD% A 72 THR H 1.0 . 5.37 707 615 A 73 LEU H A 73 LEU HD1% 1.0 . 4.45 708 616 A 73 LEU H A 72 THR HG2% 1.0 . 4.75 709 617 A 73 LEU H A 73 LEU HB2 1.0 . 3.69 710 617 A 73 LEU H A 73 LEU HBy 1.0 . 3.69 711 618 A 74 ALA H A 73 LEU HD1% 1.0 . 4.74 712 619 A 74 ALA H A 74 ALA HB% 1.0 . 3.92 713 620 A 74 ALA H A 13 GLN HBy 1.0 . 5.06 714 621 A 74 ALA H A 14 VAL HA 1.0 . 4.53 715 622 A 74 ALA HB% A 75 GLU H 1.0 . 4.12 716 623 A 75 GLU HGy A 75 GLU H 1.0 . 4.73 717 624 A 74 ALA HA A 75 GLU H 1.0 . 3.33 718 625 A 75 GLU HBx A 75 GLU H 1.0 . 3.94 719 626 A 76 PRO HDx A 75 GLU H 1.0 . 5.86 720 627 A 76 PRO HDy A 75 GLU H 1.0 . 5.66 721 628 A 18 ARG HGx A 18 ARG H 1.0 . 5.35 722 629 A 13 GLN H A 47 ARG HBx 1.0 . 4.48 723 630 A 13 GLN H A 12 MET HBy 1.0 . 4.10 724 631 A 13 GLN H A 12 MET HG2 1.0 . 5.67 725 631 A 13 GLN H A 12 MET HGy 1.0 . 5.67 726 632 A 13 GLN H A 14 VAL HG2% 1.0 . 5.67 727 633 A 13 GLN H A 74 ALA H 1.0 . 5.44 728 634 A 26 ILE HG2% A 26 ILE H 1.0 . 4.70 729 635 A 26 ILE HD1% A 26 ILE H 1.0 . 4.96 730 636 A 69 LEU HD2% A 26 ILE H 1.0 . 5.01 731 637 A 26 ILE HB A 26 ILE H 1.0 . 3.75 732 638 A 26 ILE H A 27 GLU H 1.0 . 4.18 733 639 A 41 VAL HG2% A 23 ALA H 1.0 . 5.79 734 640 A 23 ALA HB1 A 23 ALA H 1.0 . 3.76 735 641 A 22 CYS HBx A 23 ALA H 1.0 . 4.89 736 642 A 22 CYS HBy A 23 ALA H 1.0 . 4.51 737 643 A 41 VAL HB A 23 ALA H 1.0 . 5.57 738 644 A 26 ILE HG2% A 29 ALA H 1.0 . 5.65 739 645 A 69 LEU HD1% A 29 ALA H 1.0 . 5.33 740 646 A 29 ALA HB% A 29 ALA H 1.0 . 3.62 741 647 A 26 ILE HA A 29 ALA H 1.0 . 4.83 742 648 A 30 LEU H A 29 ALA H 1.0 . 4.10 743 649 A 28 ARG H A 29 ALA H 1.0 . 4.36 744 650 A 26 ILE HG2% A 27 GLU H 1.0 . 4.90 745 651 A 41 VAL HG1% A 27 GLU H 1.0 . 5.37 746 652 A 27 GLU H A 27 GLU HBx 1.0 . 3.80 747 652 A 27 GLU H A 27 GLU HBy 1.0 . 3.80 748 653 A 27 GLU HGy A 27 GLU H 1.0 . 4.55 749 654 A 28 ARG H A 28 ARG HBx 1.0 . 3.99 750 655 A 28 ARG H A 28 ARG HBy 1.0 . 3.98 751 656 A 26 ILE HA A 28 ARG H 1.0 . 5.97 752 657 A 28 ARG H A 28 ARG HD2 1.0 . 5.93 753 657 A 28 ARG H A 28 ARG HDy 1.0 . 5.93 754 658 A 30 LEU H A 28 ARG H 1.0 . 5.78 755 659 A 18 ARG HBx A 19 CYS H 1.0 . 5.10 756 660 A 18 ARG HGx A 19 CYS H 1.0 . 5.46 757 661 A 18 ARG H A 19 CYS H 1.0 . 4.90 758 662 A 23 ALA HB1 A 24 SER H 1.0 . 3.94 759 663 A 24 SER H A 22 CYS HA 1.0 . 3.68 760 664 A 50 VAL HG2% A 50 VAL H 1.0 . 4.20 761 665 A 26 ILE H A 26 ILE HG1x 1.0 . 5.07 762 666 A 7 LEU H A 7 LEU HBy 1.0 . 4.10 763 667 A 7 LEU H A 51 THR HG2% 1.0 . 5.09 764 668 A 7 LEU H A 8 LYS H 1.0 . 4.65 765 669 A 10 GLN H A 50 VAL H 1.0 . 4.93 766 670 A 12 MET H A 48 LEU H 1.0 . 4.99 767 671 A 12 MET H A 12 MET HG2 1.0 . 5.96 768 671 A 12 MET HGy A 12 MET H 1.0 . 5.96 769 672 A 12 MET H A 48 LEU HD1% 1.0 . 6.00 770 673 A 13 GLN H A 48 LEU H 1.0 . 5.51 771 674 A 75 GLU HA A 13 GLN H 1.0 . 5.77 772 675 A 13 GLN H A 13 GLN HBx 1.0 . 3.99 773 676 A 47 ARG HA A 14 VAL H 1.0 . 3.76 774 677 A 8 LYS H A 9 THR H 1.0 . 5.62 775 678 A 72 THR HB A 15 GLY H 1.0 . 6.00 776 679 A 17 MET H A 14 VAL HG2% 1.0 . 5.40 777 680 A 14 VAL HB A 17 MET H 1.0 . 5.18 778 681 A 46 GLY HAy A 17 MET H 1.0 . 6.00 779 682 A 17 MET H A 71 TYR HE% 1.0 . 6.00 780 683 A 23 ALA H A 22 CYS H 1.0 . 3.95 781 684 A 24 SER H A 23 ALA H 1.0 . 4.48 782 685 A 43 VAL HG1% A 23 ALA H 1.0 . 5.70 783 686 A 43 VAL HG2% A 23 ALA H 1.0 . 6.00 784 687 A 24 SER H A 25 SER H 1.0 . 4.25 785 688 A 28 ARG H A 25 SER H 1.0 . 4.70 786 689 A 26 ILE HB A 25 SER H 1.0 . 5.04 787 690 A 30 LEU H A 65 ARG HGx 1.0 . 4.28 788 691 A 30 LEU HA A 33 LEU H 1.0 . 4.58 789 692 A 33 LEU HD1% A 33 LEU H 1.0 . 4.86 790 693 A 36 VAL H A 57 VAL HG2% 1.0 . 4.30 791 694 A 36 VAL H A 36 VAL HB 1.0 . 4.05 792 695 A 52 TYR HA A 38 GLU H 1.0 . 6.00 793 696 A 38 GLU H A 38 GLU HGx 1.0 . 5.64 794 697 A 39 ALA H A 40 SER HA 1.0 . 5.21 795 698 A 39 ALA H A 38 GLU HB2 1.0 . 4.47 796 698 A 38 GLU HBy A 39 ALA H 1.0 . 4.47 797 699 A 39 ALA H A 38 GLU HGy 1.0 . 4.58 798 700 A 39 ALA H A 40 SER H 1.0 . 6.00 799 701 A 50 VAL HA A 40 SER H 1.0 . 4.77 800 702 A 42 THR H A 47 ARG HBx 1.0 . 4.85 801 703 A 44 ALA H A 43 VAL H 1.0 . 4.94 802 704 A 43 VAL HG2% A 43 VAL H 1.0 . 5.16 803 705 A 41 VAL HG2% A 43 VAL H 1.0 . 6.00 804 706 A 44 ALA H A 45 THR H 1.0 . 5.86 805 707 A 42 THR HA A 44 ALA H 1.0 . 6.00 806 708 A 43 VAL HA A 46 GLY H 1.0 . 3.75 807 709 A 44 ALA HB% A 46 GLY H 1.0 . 5.78 808 710 A 43 VAL HA A 47 ARG H 1.0 . 5.09 809 711 A 48 LEU H A 13 GLN HA 1.0 . 5.88 810 712 A 14 VAL HG2% A 48 LEU H 1.0 . 5.32 811 713 A 49 THR H A 41 VAL HA 1.0 . 4.94 812 714 A 42 THR H A 49 THR H 1.0 . 5.27 813 715 A 50 VAL H A 11 GLN HBx 1.0 . 5.55 814 716 A 52 TYR HA A 51 THR H 1.0 . 6.00 815 717 A 51 THR H A 39 ALA HB% 1.0 . 5.54 816 718 A 51 THR H A 50 VAL HG1% 1.0 . 4.20 817 719 A 52 TYR H A 10 GLN H 1.0 . 5.95 818 720 A 52 TYR H A 52 TYR HD% 1.0 . 4.89 819 721 A 52 TYR H A 51 THR HG2% 1.0 . 4.45 820 722 A 53 ASP H A 55 LYS H 1.0 . 4.73 821 723 A 55 LYS H A 57 VAL H 1.0 . 2.90 822 724 A 55 LYS H A 56 GLN HG2 1.0 . 4.86 823 724 A 55 LYS H A 56 GLN HGy 1.0 . 4.86 824 725 A 56 GLN H A 54 PRO HA 1.0 . 6.00 825 726 A 54 PRO HA A 57 VAL H 1.0 . 4.69 826 727 A 61 THR H A 58 SER H 1.0 . 3.05 827 728 A 59 GLU H A 59 GLU HBx 1.0 . 3.93 828 729 A 60 ILE H A 61 THR H 1.0 . 3.91 829 730 A 64 GLU H A 60 ILE HA 1.0 . 4.36 830 731 A 64 GLU H A 65 ARG H 1.0 . 4.30 831 732 A 65 ARG H A 65 ARG HDy 1.0 . 6.00 832 733 A 66 ILE HG1x A 66 ILE H 1.0 . 4.37 833 734 A 64 GLU HA A 66 ILE H 1.0 . 6.00 834 735 A 63 GLN HA A 66 ILE H 1.0 . 5.34 835 736 A 65 ARG H A 66 ILE H 1.0 . 4.40 836 737 A 66 ILE HG2% A 66 ILE H 1.0 . 4.37 837 738 A 66 ILE H A 65 ARG HB2 1.0 . 3.84 838 738 A 65 ARG HBy A 66 ILE H 1.0 . 3.84 839 739 A 67 ALA HB% A 66 ILE H 1.0 . 5.11 840 740 A 68 ALA H A 67 ALA H 1.0 . 4.21 841 741 A 65 ARG HA A 68 ALA H 1.0 . 4.59 842 742 A 64 GLU HA A 68 ALA H 1.0 . 5.59 843 743 A 66 ILE HA A 68 ALA H 1.0 . 5.89 844 744 A 64 GLU HBx A 68 ALA H 1.0 . 4.98 845 745 A 69 LEU HD2% A 68 ALA H 1.0 . 6.00 846 746 A 67 ALA HB% A 68 ALA H 1.0 . 3.46 847 747 A 69 LEU H A 70 GLY HAy 1.0 . 5.89 848 748 A 69 LEU H A 65 ARG HGx 1.0 . 4.66 849 749 A 69 LEU H A 69 LEU HD2% 1.0 . 5.33 850 750 A 66 ILE HG2% A 70 GLY H 1.0 . 6.00 851 751 A 67 ALA HA A 70 GLY H 1.0 . 4.86 852 752 A 71 TYR H A 72 THR H 1.0 . 6.00 853 753 A 71 TYR H A 66 ILE HA 1.0 . 5.87 854 754 A 16 GLY H A 72 THR H 1.0 . 5.43 855 755 A 73 LEU H A 72 THR H 1.0 . 4.69 856 756 A 73 LEU H A 66 ILE HG2% 1.0 . 5.15 857 757 A 74 ALA H A 15 GLY H 1.0 . 6.00 858 758 A 74 ALA H A 14 VAL HG2% 1.0 . 5.08 859 759 A 75 GLU H A 76 PRO HA 1.0 . 4.53 860 760 A 46 GLY HAx A 17 MET H 1.0 . 4.88 861 761 A 25 SER H A 22 CYS HA 1.0 . 4.02 862 762 A 69 LEU HD1% A 25 SER H 1.0 . 5.63 863 763 A 25 SER HA A 27 GLU H 1.0 . 4.75 864 764 A 27 GLU H A 24 SER HA 1.0 . 4.30 865 765 A 65 ARG HDx A 27 GLU H 1.0 . 5.90 866 766 A 28 ARG H A 24 SER HA 1.0 . 5.02 867 767 A 28 ARG H A 31 GLU HG2 1.0 . 6.00 868 767 A 31 GLU HGy A 28 ARG H 1.0 . 6.00 869 768 A 29 ALA HB% A 28 ARG H 1.0 . 6.00 870 769 A 30 LEU HBx A 29 ALA H 1.0 . 6.00 871 770 A 29 ALA H A 31 GLU HG2 1.0 . 6.00 872 770 A 31 GLU HGy A 29 ALA H 1.0 . 6.00 873 771 A 7 LEU H A 6 PRO HB2 1.0 . 3.63 874 771 A 7 LEU H A 6 PRO HBy 1.0 . 3.63 875 772 A 54 PRO HDx A 55 LYS H 1.0 . 5.21 876 773 A 22 CYS H A 21 ALA H 1.0 . 4.88 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 12 MET H A 48 LEU O 1.0 . 2.0 2 2 A 48 LEU O A 12 MET N 1.0 . 3.0 3 3 A 10 GLN H A 50 VAL O 1.0 . 2.0 4 4 A 50 VAL O A 10 GLN N 1.0 . 3.0 5 5 A 47 ARG H A 42 THR O 1.0 . 2.0 6 6 A 42 THR O A 47 ARG N 1.0 . 3.0 7 7 A 49 THR H A 40 SER O 1.0 . 2.0 8 8 A 40 SER O A 49 THR N 1.0 . 3.0 9 9 A 51 THR H A 38 GLU O 1.0 . 2.0 10 10 A 38 GLU O A 51 THR N 1.0 . 3.0 11 11 A 13 GLN H A 74 ALA O 1.0 . 2.0 12 12 A 74 ALA O A 13 GLN N 1.0 . 3.0 13 13 A 15 GLY H A 72 THR O 1.0 . 2.0 14 14 A 72 THR O A 15 GLY N 1.0 . 3.0 stop_ save_