data_nef_c18098_2lm4 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code TargetDB YT682A stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 GLY middle . false 3 A 3 HIS middle . . 4 A 4 HIS middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 HIS middle . . 8 A 8 HIS middle . . 9 A 9 SER middle . . 10 A 10 HIS middle . . 11 A 11 MET middle . . 12 A 12 ILE middle . . 13 A 13 LYS middle . . 14 A 14 ARG middle . . 15 A 15 THR middle . . 16 A 16 ASN middle . . 17 A 17 GLU middle . . 18 A 18 PRO middle . false 19 A 19 LEU middle . . 20 A 20 ASP middle . . 21 A 21 LYS middle . . 22 A 22 LYS middle . . 23 A 23 ARG middle . . 24 A 24 ALA middle . . 25 A 25 ARG middle . . 26 A 26 LEU middle . . 27 A 27 ILE middle . . 28 A 28 TYR middle . . 29 A 29 GLN middle . . 30 A 30 SER middle . . 31 A 31 ARG middle . . 32 A 32 LYS middle . . 33 A 33 ARG middle . . 34 A 34 GLY middle . false 35 A 35 ILE middle . . 36 A 36 LEU middle . . 37 A 37 GLU middle . . 38 A 38 THR middle . . 39 A 39 ASP middle . . 40 A 40 LEU middle . . 41 A 41 LEU middle . . 42 A 42 LEU middle . . 43 A 43 SER middle . . 44 A 44 GLY middle . false 45 A 45 PHE middle . . 46 A 46 ALA middle . . 47 A 47 ALA middle . . 48 A 48 LYS middle . . 49 A 49 TYR middle . . 50 A 50 LEU middle . . 51 A 51 LYS middle . . 52 A 52 LYS middle . . 53 A 53 MET middle . . 54 A 54 ASN middle . . 55 A 55 GLU middle . . 56 A 56 GLU middle . . 57 A 57 GLU middle . . 58 A 58 LEU middle . . 59 A 59 GLU middle . . 60 A 60 GLU middle . . 61 A 61 TYR middle . . 62 A 62 ASP middle . . 63 A 63 SER middle . . 64 A 64 LEU middle . . 65 A 65 LEU middle . . 66 A 66 ASN middle . . 67 A 67 GLU middle . . 68 A 68 LEU middle . . 69 A 69 ASP middle . . 70 A 70 TRP middle . . 71 A 71 ASP middle . . 72 A 72 ILE middle . . 73 A 73 TYR middle . . 74 A 74 TYR middle . . 75 A 75 TRP middle . . 76 A 76 ALA middle . . 77 A 77 THR middle . . 78 A 78 LYS middle . . 79 A 79 ASN middle . . 80 A 80 PHE middle . . 81 A 81 LYS middle . . 82 A 82 THR middle . . 83 A 83 SER middle . . 84 A 84 PRO middle . false 85 A 85 LEU middle . . 86 A 86 PRO middle . false 87 A 87 ASP middle . . 88 A 88 LYS middle . . 89 A 89 TRP middle . . 90 A 90 ALA middle . . 91 A 91 ASN middle . . 92 A 92 SER middle . . 93 A 93 LYS middle . . 94 A 94 LEU middle . . 95 A 95 LEU middle . . 96 A 96 LYS middle . . 97 A 97 GLN middle . . 98 A 98 LEU middle . . 99 A 99 GLN middle . . 100 A 100 GLU middle . . 101 A 101 PHE middle . . 102 A 102 SER middle . . 103 A 103 GLU middle . . 104 A 104 ASN middle . . 105 A 105 LYS middle . . 106 A 106 GLU middle . . 107 A 107 LYS middle . . 108 A 108 GLU middle . . 109 A 109 ILE 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 10 HIS HA H 1 4.642 0.02 A 10 HIS HBx H 1 3.086 0.02 A 10 HIS HBy H 1 3.163 0.02 A 10 HIS C C 13 174.891 0.2 A 10 HIS CA C 13 56.030 0.2 A 10 HIS CB C 13 30.113 0.2 A 11 MET H H 1 8.179 0.02 A 11 MET HA H 1 4.417 0.02 A 11 MET HBx H 1 1.927 0.02 A 11 MET HBy H 1 2.012 0.02 A 11 MET HE% H 1 2.047 0.02 A 11 MET HGx H 1 2.403 0.02 A 11 MET HGy H 1 2.454 0.02 A 11 MET C C 13 175.709 0.2 A 11 MET CA C 13 55.405 0.2 A 11 MET CB C 13 32.776 0.2 A 11 MET CE C 13 16.909 0.2 A 11 MET CG C 13 31.768 0.2 A 11 MET N N 15 121.211 0.2 A 12 ILE H H 1 8.088 0.02 A 12 ILE HA H 1 4.123 0.02 A 12 ILE HB H 1 1.820 0.02 A 12 ILE HD1% H 1 0.830 0.02 A 12 ILE HG1y H 1 1.445 0.02 A 12 ILE HG1x H 1 1.156 0.02 A 12 ILE HG2% H 1 0.865 0.02 A 12 ILE C C 13 175.809 0.2 A 12 ILE CA C 13 60.802 0.2 A 12 ILE CB C 13 38.531 0.2 A 12 ILE CD1 C 13 12.689 0.2 A 12 ILE CG1 C 13 27.077 0.2 A 12 ILE CG2 C 13 17.311 0.2 A 12 ILE N N 15 122.511 0.2 A 13 LYS H H 1 8.381 0.02 A 13 LYS HA H 1 4.328 0.02 A 13 LYS HBx H 1 1.734 0.02 A 13 LYS HBy H 1 1.804 0.02 A 13 LYS HD2 H 1 1.670 0.02 A 13 LYS HD3 H 1 1.670 0.02 A 13 LYS HE2 H 1 2.969 0.02 A 13 LYS HE3 H 1 2.969 0.02 A 13 LYS HGx H 1 1.367 0.02 A 13 LYS HGy H 1 1.442 0.02 A 13 LYS C C 13 176.108 0.2 A 13 LYS CA C 13 56.053 0.2 A 13 LYS CB C 13 32.915 0.2 A 13 LYS CD C 13 28.897 0.2 A 13 LYS CE C 13 41.939 0.2 A 13 LYS CG C 13 24.668 0.2 A 13 LYS N N 15 126.072 0.2 A 14 ARG H H 1 8.484 0.02 A 14 ARG HA H 1 4.444 0.02 A 14 ARG HBx H 1 1.761 0.02 A 14 ARG HBy H 1 1.853 0.02 A 14 ARG HD2 H 1 3.176 0.02 A 14 ARG HD3 H 1 3.176 0.02 A 14 ARG HGx H 1 1.609 0.02 A 14 ARG HGy H 1 1.657 0.02 A 14 ARG C C 13 176.428 0.2 A 14 ARG CA C 13 55.742 0.2 A 14 ARG CB C 13 30.781 0.2 A 14 ARG CD C 13 43.211 0.2 A 14 ARG CG C 13 27.059 0.2 A 14 ARG N N 15 123.714 0.2 A 15 THR H H 1 8.279 0.02 A 15 THR HA H 1 4.367 0.02 A 15 THR HB H 1 4.219 0.02 A 15 THR HG2% H 1 1.203 0.02 A 15 THR C C 13 174.172 0.2 A 15 THR CA C 13 61.501 0.2 A 15 THR CB C 13 69.868 0.2 A 15 THR CG2 C 13 21.534 0.2 A 15 THR N N 15 115.338 0.2 A 16 ASN H H 1 8.612 0.02 A 16 ASN HA H 1 4.678 0.02 A 16 ASN HBx H 1 2.780 0.02 A 16 ASN HBy H 1 2.861 0.02 A 16 ASN HD21 H 1 7.603 0.02 A 16 ASN HD22 H 1 6.899 0.02 A 16 ASN C C 13 174.482 0.2 A 16 ASN CA C 13 53.072 0.2 A 16 ASN CB C 13 38.381 0.2 A 16 ASN N N 15 120.727 0.2 A 16 ASN ND2 N 15 112.623 0.2 A 17 GLU H H 1 8.113 0.02 A 17 GLU HA H 1 4.601 0.02 A 17 GLU HBx H 1 1.831 0.02 A 17 GLU HBy H 1 2.007 0.02 A 17 GLU HGx H 1 2.209 0.02 A 17 GLU HGy H 1 2.250 0.02 A 17 GLU C C 13 173.823 0.2 A 17 GLU CA C 13 53.965 0.2 A 17 GLU CB C 13 31.763 0.2 A 17 GLU CG C 13 35.583 0.2 A 17 GLU N N 15 123.790 0.2 A 18 PRO HA H 1 4.515 0.02 A 18 PRO HB2 H 1 2.044 0.02 A 18 PRO HB3 H 1 2.516 0.02 A 18 PRO HDx H 1 3.588 0.02 A 18 PRO HDy H 1 4.088 0.02 A 18 PRO HG2 H 1 2.123 0.02 A 18 PRO HG3 H 1 2.123 0.02 A 18 PRO C C 13 177.709 0.2 A 18 PRO CA C 13 62.765 0.2 A 18 PRO CB C 13 32.481 0.2 A 18 PRO CD C 13 50.990 0.2 A 18 PRO CG C 13 27.724 0.2 A 19 LEU H H 1 8.720 0.02 A 19 LEU HA H 1 4.006 0.02 A 19 LEU HBx H 1 1.598 0.02 A 19 LEU HBy H 1 1.779 0.02 A 19 LEU HD1% H 1 0.973 0.02 A 19 LEU HD2% H 1 0.939 0.02 A 19 LEU HG H 1 1.698 0.02 A 19 LEU C C 13 178.307 0.2 A 19 LEU CA C 13 58.463 0.2 A 19 LEU CB C 13 41.798 0.2 A 19 LEU CD1 C 13 24.639 0.2 A 19 LEU CD2 C 13 24.346 0.2 A 19 LEU CG C 13 26.707 0.2 A 19 LEU N N 15 123.760 0.2 A 20 ASP H H 1 8.829 0.02 A 20 ASP HA H 1 4.361 0.02 A 20 ASP HBx H 1 2.622 0.02 A 20 ASP HBy H 1 2.744 0.02 A 20 ASP C C 13 179.531 0.2 A 20 ASP CA C 13 57.087 0.2 A 20 ASP CB C 13 39.321 0.2 A 20 ASP N N 15 115.650 0.2 A 21 LYS H H 1 7.352 0.02 A 21 LYS HA H 1 4.132 0.02 A 21 LYS HBx H 1 1.917 0.02 A 21 LYS HBy H 1 2.006 0.02 A 21 LYS HD2 H 1 1.693 0.02 A 21 LYS HD3 H 1 1.693 0.02 A 21 LYS HE2 H 1 3.036 0.02 A 21 LYS HE3 H 1 3.036 0.02 A 21 LYS HGx H 1 1.485 0.02 A 21 LYS HGy H 1 1.605 0.02 A 21 LYS C C 13 178.421 0.2 A 21 LYS CA C 13 58.283 0.2 A 21 LYS CB C 13 31.980 0.2 A 21 LYS CD C 13 28.688 0.2 A 21 LYS CE C 13 42.017 0.2 A 21 LYS CG C 13 25.015 0.2 A 21 LYS N N 15 121.462 0.2 A 22 LYS H H 1 8.407 0.02 A 22 LYS HA H 1 3.990 0.02 A 22 LYS HBx H 1 1.680 0.02 A 22 LYS HBy H 1 1.929 0.02 A 22 LYS HDx H 1 1.600 0.02 A 22 LYS HDy H 1 1.806 0.02 A 22 LYS HEx H 1 2.884 0.02 A 22 LYS HEy H 1 2.942 0.02 A 22 LYS HGx H 1 1.364 0.02 A 22 LYS HGy H 1 1.481 0.02 A 22 LYS C C 13 178.179 0.2 A 22 LYS CA C 13 59.854 0.2 A 22 LYS CB C 13 32.787 0.2 A 22 LYS CD C 13 29.832 0.2 A 22 LYS CE C 13 40.912 0.2 A 22 LYS CG C 13 24.519 0.2 A 22 LYS N N 15 123.296 0.2 A 23 ARG H H 1 8.594 0.02 A 23 ARG HA H 1 3.734 0.02 A 23 ARG HBx H 1 1.743 0.02 A 23 ARG HBy H 1 1.868 0.02 A 23 ARG HDx H 1 3.119 0.02 A 23 ARG HDy H 1 3.192 0.02 A 23 ARG HE H 1 6.969 0.02 A 23 ARG HGx H 1 1.482 0.02 A 23 ARG HGy H 1 1.825 0.02 A 23 ARG C C 13 177.460 0.2 A 23 ARG CA C 13 60.505 0.2 A 23 ARG CB C 13 30.267 0.2 A 23 ARG CD C 13 43.578 0.2 A 23 ARG CG C 13 28.573 0.2 A 23 ARG N N 15 116.950 0.2 A 23 ARG NE N 15 82.608 0.2 A 24 ALA H H 1 7.505 0.02 A 24 ALA HA H 1 4.044 0.02 A 24 ALA HB% H 1 1.517 0.02 A 24 ALA C C 13 180.514 0.2 A 24 ALA CA C 13 55.069 0.2 A 24 ALA CB C 13 17.934 0.2 A 24 ALA N N 15 118.391 0.2 A 25 ARG H H 1 8.291 0.02 A 25 ARG HA H 1 4.207 0.02 A 25 ARG HBx H 1 1.819 0.02 A 25 ARG HBy H 1 2.150 0.02 A 25 ARG HDx H 1 3.044 0.02 A 25 ARG HDy H 1 3.384 0.02 A 25 ARG HE H 1 9.174 0.02 A 25 ARG HG2 H 1 1.580 0.02 A 25 ARG HG3 H 1 1.580 0.02 A 25 ARG C C 13 178.058 0.2 A 25 ARG CA C 13 59.393 0.2 A 25 ARG CB C 13 29.612 0.2 A 25 ARG CD C 13 42.907 0.2 A 25 ARG CG C 13 27.113 0.2 A 25 ARG N N 15 120.413 0.2 A 25 ARG NE N 15 81.761 0.2 A 26 LEU H H 1 8.305 0.02 A 26 LEU HA H 1 4.145 0.02 A 26 LEU HB2 H 1 2.019 0.02 A 26 LEU HB3 H 1 1.522 0.02 A 26 LEU HD1% H 1 1.062 0.02 A 26 LEU HD2% H 1 0.984 0.02 A 26 LEU HG H 1 1.986 0.02 A 26 LEU C C 13 180.642 0.2 A 26 LEU CA C 13 57.775 0.2 A 26 LEU CB C 13 41.700 0.2 A 26 LEU CD1 C 13 27.742 0.2 A 26 LEU CD2 C 13 23.207 0.2 A 26 LEU CG C 13 27.295 0.2 A 26 LEU N N 15 119.205 0.2 A 27 ILE H H 1 8.488 0.02 A 27 ILE HA H 1 3.601 0.02 A 27 ILE HB H 1 1.897 0.02 A 27 ILE HD1% H 1 0.768 0.02 A 27 ILE HG12 H 1 0.872 0.02 A 27 ILE HG13 H 1 1.809 0.02 A 27 ILE HG2% H 1 0.889 0.02 A 27 ILE C C 13 177.716 0.2 A 27 ILE CA C 13 66.152 0.2 A 27 ILE CB C 13 37.841 0.2 A 27 ILE CD1 C 13 13.207 0.2 A 27 ILE CG1 C 13 30.404 0.2 A 27 ILE CG2 C 13 16.911 0.2 A 27 ILE N N 15 123.643 0.2 A 28 TYR H H 1 7.832 0.02 A 28 TYR HA H 1 4.215 0.02 A 28 TYR HBx H 1 3.190 0.02 A 28 TYR HBy H 1 3.327 0.02 A 28 TYR HD1 H 1 7.139 0.02 A 28 TYR HD2 H 1 7.139 0.02 A 28 TYR HE1 H 1 6.820 0.02 A 28 TYR HE2 H 1 6.820 0.02 A 28 TYR C C 13 178.656 0.2 A 28 TYR CA C 13 61.443 0.2 A 28 TYR CB C 13 37.834 0.2 A 28 TYR CD1 C 13 133.196 0.2 A 28 TYR CD2 C 13 133.196 0.2 A 28 TYR CE1 C 13 118.032 0.2 A 28 TYR CE2 C 13 118.032 0.2 A 28 TYR N N 15 121.443 0.2 A 29 GLN H H 1 8.965 0.02 A 29 GLN HA H 1 3.861 0.02 A 29 GLN HBx H 1 2.107 0.02 A 29 GLN HBy H 1 2.193 0.02 A 29 GLN HE21 H 1 7.284 0.02 A 29 GLN HE22 H 1 7.110 0.02 A 29 GLN HGy H 1 2.783 0.02 A 29 GLN HGx H 1 2.551 0.02 A 29 GLN C C 13 178.537 0.2 A 29 GLN CA C 13 58.197 0.2 A 29 GLN CB C 13 29.288 0.2 A 29 GLN CG C 13 35.181 0.2 A 29 GLN N N 15 115.999 0.2 A 29 GLN NE2 N 15 110.676 0.2 A 30 SER H H 1 7.643 0.02 A 30 SER HA H 1 4.100 0.02 A 30 SER HBx H 1 3.770 0.02 A 30 SER HBy H 1 4.239 0.02 A 30 SER C C 13 171.004 0.2 A 30 SER CA C 13 61.818 0.2 A 30 SER CB C 13 63.196 0.2 A 30 SER N N 15 115.599 0.2 A 31 ARG H H 1 6.987 0.02 A 31 ARG HA H 1 4.626 0.02 A 31 ARG HBx H 1 1.741 0.02 A 31 ARG HBy H 1 1.943 0.02 A 31 ARG HD2 H 1 3.146 0.02 A 31 ARG HD3 H 1 3.146 0.02 A 31 ARG HE H 1 7.269 0.02 A 31 ARG HG2 H 1 1.672 0.02 A 31 ARG HG3 H 1 1.672 0.02 A 31 ARG C C 13 176.556 0.2 A 31 ARG CA C 13 55.010 0.2 A 31 ARG CB C 13 30.659 0.2 A 31 ARG CD C 13 43.584 0.2 A 31 ARG CG C 13 27.059 0.2 A 31 ARG N N 15 114.000 0.2 A 31 ARG NE N 15 84.998 0.2 A 32 LYS H H 1 7.245 0.02 A 32 LYS HA H 1 4.505 0.02 A 32 LYS HB2 H 1 1.485 0.02 A 32 LYS HB3 H 1 1.900 0.02 A 32 LYS HD2 H 1 1.485 0.02 A 32 LYS HD3 H 1 1.485 0.02 A 32 LYS HEx H 1 2.820 0.02 A 32 LYS HEy H 1 2.908 0.02 A 32 LYS HG2 H 1 1.176 0.02 A 32 LYS HG3 H 1 1.176 0.02 A 32 LYS C C 13 176.577 0.2 A 32 LYS CA C 13 54.191 0.2 A 32 LYS CB C 13 31.070 0.2 A 32 LYS CD C 13 28.338 0.2 A 32 LYS CE C 13 41.850 0.2 A 32 LYS CG C 13 23.670 0.2 A 32 LYS N N 15 120.507 0.2 A 33 ARG H H 1 8.831 0.02 A 33 ARG HA H 1 4.476 0.02 A 33 ARG HBx H 1 1.660 0.02 A 33 ARG HBy H 1 2.173 0.02 A 33 ARG HD2 H 1 2.992 0.02 A 33 ARG HD3 H 1 2.992 0.02 A 33 ARG HE H 1 8.578 0.02 A 33 ARG HG2 H 1 1.959 0.02 A 33 ARG HG3 H 1 1.959 0.02 A 33 ARG HH11 H 1 6.117 0.02 A 33 ARG HH12 H 1 6.117 0.02 A 33 ARG HH21 H 1 6.117 0.02 A 33 ARG HH22 H 1 6.117 0.02 A 33 ARG C C 13 177.289 0.2 A 33 ARG CA C 13 52.389 0.2 A 33 ARG CB C 13 27.343 0.2 A 33 ARG CD C 13 39.962 0.2 A 33 ARG CG C 13 24.992 0.2 A 33 ARG N N 15 119.630 0.2 A 33 ARG NE N 15 83.032 0.2 A 34 GLY H H 1 8.652 0.02 A 34 GLY HAx H 1 3.737 0.02 A 34 GLY HAy H 1 3.972 0.02 A 34 GLY CA C 13 45.913 0.2 A 34 GLY N N 15 107.776 0.2 A 35 ILE H H 1 6.841 0.02 A 35 ILE HA H 1 4.346 0.02 A 35 ILE HB H 1 1.560 0.02 A 35 ILE HD1% H 1 -0.223 0.02 A 35 ILE HG1x H 1 0.579 0.02 A 35 ILE HG1y H 1 0.810 0.02 A 35 ILE HG2% H 1 0.267 0.02 A 35 ILE C C 13 175.624 0.2 A 35 ILE CA C 13 58.004 0.2 A 35 ILE CB C 13 38.883 0.2 A 35 ILE CD1 C 13 9.824 0.2 A 35 ILE CG1 C 13 26.304 0.2 A 35 ILE CG2 C 13 16.989 0.2 A 36 LEU H H 1 8.518 0.02 A 36 LEU HA H 1 3.940 0.02 A 36 LEU HB2 H 1 1.541 0.02 A 36 LEU HB3 H 1 1.541 0.02 A 36 LEU HD1% H 1 0.899 0.02 A 36 LEU HD2% H 1 0.852 0.02 A 36 LEU HG H 1 1.518 0.02 A 36 LEU C C 13 177.994 0.2 A 36 LEU CA C 13 58.018 0.2 A 36 LEU CB C 13 41.883 0.2 A 36 LEU CD1 C 13 23.908 0.2 A 36 LEU CD2 C 13 25.007 0.2 A 36 LEU CG C 13 26.682 0.2 A 36 LEU N N 15 128.200 0.2 A 37 GLU H H 1 9.964 0.02 A 37 GLU HA H 1 3.540 0.02 A 37 GLU HB2 H 1 0.866 0.02 A 37 GLU HB3 H 1 0.866 0.02 A 37 GLU HG2 H 1 1.966 0.02 A 37 GLU HG3 H 1 1.966 0.02 A 37 GLU C C 13 179.332 0.2 A 37 GLU CA C 13 61.507 0.2 A 37 GLU CB C 13 27.735 0.2 A 37 GLU CG C 13 37.878 0.2 A 37 GLU N N 15 118.515 0.2 A 38 THR H H 1 6.425 0.02 A 38 THR HA H 1 3.867 0.02 A 38 THR HB H 1 3.705 0.02 A 38 THR HG2% H 1 1.179 0.02 A 38 THR C C 13 175.061 0.2 A 38 THR CA C 13 65.735 0.2 A 38 THR CB C 13 67.623 0.2 A 38 THR CG2 C 13 24.244 0.2 A 38 THR N N 15 111.283 0.2 A 39 ASP H H 1 7.997 0.02 A 39 ASP HA H 1 4.513 0.02 A 39 ASP HBx H 1 2.580 0.02 A 39 ASP HBy H 1 2.783 0.02 A 39 ASP C C 13 179.225 0.2 A 39 ASP CA C 13 57.098 0.2 A 39 ASP CB C 13 41.883 0.2 A 39 ASP N N 15 124.325 0.2 A 40 LEU H H 1 8.623 0.02 A 40 LEU HA H 1 4.011 0.02 A 40 LEU HBx H 1 1.534 0.02 A 40 LEU HBy H 1 1.810 0.02 A 40 LEU HD1% H 1 0.883 0.02 A 40 LEU HD2% H 1 0.874 0.02 A 40 LEU HG H 1 1.798 0.02 A 40 LEU C C 13 180.528 0.2 A 40 LEU CA C 13 58.092 0.2 A 40 LEU CB C 13 41.798 0.2 A 40 LEU CD1 C 13 25.015 0.2 A 40 LEU CD2 C 13 22.711 0.2 A 40 LEU CG C 13 26.696 0.2 A 40 LEU N N 15 118.757 0.2 A 41 LEU H H 1 7.382 0.02 A 41 LEU HA H 1 4.393 0.02 A 41 LEU HB2 H 1 1.940 0.02 A 41 LEU HB3 H 1 1.940 0.02 A 41 LEU HD1% H 1 1.143 0.02 A 41 LEU HD2% H 1 0.893 0.02 A 41 LEU HG H 1 1.608 0.02 A 41 LEU C C 13 177.631 0.2 A 41 LEU CA C 13 58.357 0.2 A 41 LEU CB C 13 43.339 0.2 A 41 LEU CD1 C 13 22.989 0.2 A 41 LEU CD2 C 13 26.314 0.2 A 41 LEU CG C 13 27.297 0.2 A 41 LEU N N 15 119.923 0.2 A 42 LEU H H 1 8.963 0.02 A 42 LEU HA H 1 4.273 0.02 A 42 LEU HBx H 1 1.617 0.02 A 42 LEU HBy H 1 2.245 0.02 A 42 LEU HD1% H 1 0.765 0.02 A 42 LEU HD2% H 1 0.796 0.02 A 42 LEU HG H 1 1.836 0.02 A 42 LEU C C 13 179.489 0.2 A 42 LEU CA C 13 57.569 0.2 A 42 LEU CB C 13 40.484 0.2 A 42 LEU CD1 C 13 25.608 0.2 A 42 LEU CD2 C 13 20.824 0.2 A 42 LEU CG C 13 26.663 0.2 A 42 LEU N N 15 115.623 0.2 A 43 SER H H 1 8.535 0.02 A 43 SER HA H 1 4.039 0.02 A 43 SER HBx H 1 3.933 0.02 A 43 SER HBy H 1 3.994 0.02 A 43 SER C C 13 178.200 0.2 A 43 SER CA C 13 62.665 0.2 A 43 SER CB C 13 62.476 0.2 A 43 SER N N 15 115.349 0.2 A 44 GLY H H 1 7.812 0.02 A 44 GLY HAx H 1 4.037 0.02 A 44 GLY HAy H 1 4.135 0.02 A 44 GLY C C 13 175.624 0.2 A 44 GLY CA C 13 47.144 0.2 A 44 GLY N N 15 110.034 0.2 A 45 PHE H H 1 8.542 0.02 A 45 PHE HA H 1 2.938 0.02 A 45 PHE HB2 H 1 2.750 0.02 A 45 PHE HB3 H 1 2.957 0.02 A 45 PHE HD1 H 1 6.706 0.02 A 45 PHE HD2 H 1 6.706 0.02 A 45 PHE HE1 H 1 6.494 0.02 A 45 PHE HE2 H 1 6.494 0.02 A 45 PHE HZ H 1 6.700 0.02 A 45 PHE C C 13 177.482 0.2 A 45 PHE CA C 13 61.245 0.2 A 45 PHE CB C 13 39.919 0.2 A 45 PHE CD1 C 13 131.340 0.2 A 45 PHE CD2 C 13 131.340 0.2 A 45 PHE CE1 C 13 130.674 0.2 A 45 PHE CE2 C 13 130.674 0.2 A 45 PHE CZ C 13 128.830 0.2 A 45 PHE N N 15 125.487 0.2 A 46 ALA H H 1 9.262 0.02 A 46 ALA HA H 1 3.732 0.02 A 46 ALA HB% H 1 1.604 0.02 A 46 ALA C C 13 179.916 0.2 A 46 ALA CA C 13 54.708 0.2 A 46 ALA CB C 13 18.097 0.2 A 46 ALA N N 15 121.034 0.2 A 47 ALA H H 1 7.481 0.02 A 47 ALA HA H 1 3.971 0.02 A 47 ALA HB% H 1 1.518 0.02 A 47 ALA C C 13 178.250 0.2 A 47 ALA CA C 13 54.383 0.2 A 47 ALA CB C 13 18.201 0.2 A 47 ALA N N 15 117.642 0.2 A 48 LYS H H 1 7.056 0.02 A 48 LYS HA H 1 4.100 0.02 A 48 LYS HBx H 1 1.253 0.02 A 48 LYS HBy H 1 1.521 0.02 A 48 LYS HDx H 1 1.544 0.02 A 48 LYS HDy H 1 1.657 0.02 A 48 LYS HE2 H 1 2.895 0.02 A 48 LYS HE3 H 1 2.895 0.02 A 48 LYS HGx H 1 0.453 0.02 A 48 LYS HGy H 1 1.029 0.02 A 48 LYS C C 13 177.845 0.2 A 48 LYS CA C 13 57.760 0.2 A 48 LYS CB C 13 33.786 0.2 A 48 LYS CD C 13 29.534 0.2 A 48 LYS CE C 13 42.060 0.2 A 48 LYS CG C 13 25.029 0.2 A 48 LYS N N 15 115.388 0.2 A 49 TYR H H 1 7.941 0.02 A 49 TYR HA H 1 4.296 0.02 A 49 TYR HBx H 1 1.413 0.02 A 49 TYR HBy H 1 2.459 0.02 A 49 TYR HD1 H 1 6.528 0.02 A 49 TYR HD2 H 1 6.528 0.02 A 49 TYR HE1 H 1 6.722 0.02 A 49 TYR HE2 H 1 6.722 0.02 A 49 TYR C C 13 178.272 0.2 A 49 TYR CA C 13 60.123 0.2 A 49 TYR CB C 13 40.260 0.2 A 49 TYR CD1 C 13 133.459 0.2 A 49 TYR CD2 C 13 133.459 0.2 A 49 TYR CE1 C 13 117.392 0.2 A 49 TYR CE2 C 13 117.392 0.2 A 49 TYR N N 15 112.714 0.2 A 50 LEU H H 1 7.945 0.02 A 50 LEU HA H 1 3.975 0.02 A 50 LEU HBx H 1 1.363 0.02 A 50 LEU HBy H 1 1.791 0.02 A 50 LEU HD1% H 1 0.545 0.02 A 50 LEU HD2% H 1 0.558 0.02 A 50 LEU HG H 1 1.680 0.02 A 50 LEU C C 13 180.108 0.2 A 50 LEU CA C 13 59.709 0.2 A 50 LEU CB C 13 40.837 0.2 A 50 LEU CD1 C 13 25.599 0.2 A 50 LEU CD2 C 13 24.250 0.2 A 50 LEU CG C 13 29.069 0.2 A 50 LEU N N 15 120.890 0.2 A 51 LYS H H 1 8.463 0.02 A 51 LYS HA H 1 3.858 0.02 A 51 LYS HB2 H 1 1.773 0.02 A 51 LYS HB3 H 1 1.773 0.02 A 51 LYS HD2 H 1 1.663 0.02 A 51 LYS HD3 H 1 1.663 0.02 A 51 LYS HE2 H 1 2.960 0.02 A 51 LYS HE3 H 1 2.960 0.02 A 51 LYS HGx H 1 1.273 0.02 A 51 LYS HGy H 1 1.360 0.02 A 51 LYS C C 13 176.051 0.2 A 51 LYS CA C 13 58.805 0.2 A 51 LYS CB C 13 31.507 0.2 A 51 LYS CD C 13 29.070 0.2 A 51 LYS CE C 13 41.891 0.2 A 51 LYS CG C 13 24.716 0.2 A 51 LYS N N 15 115.335 0.2 A 52 LYS H H 1 7.232 0.02 A 52 LYS HA H 1 4.410 0.02 A 52 LYS HBx H 1 1.781 0.02 A 52 LYS HBy H 1 2.032 0.02 A 52 LYS HD2 H 1 1.654 0.02 A 52 LYS HD3 H 1 1.654 0.02 A 52 LYS HE2 H 1 2.964 0.02 A 52 LYS HE3 H 1 2.964 0.02 A 52 LYS HG2 H 1 1.387 0.02 A 52 LYS HG3 H 1 1.387 0.02 A 52 LYS C C 13 176.777 0.2 A 52 LYS CA C 13 55.085 0.2 A 52 LYS CB C 13 33.116 0.2 A 52 LYS CD C 13 28.995 0.2 A 52 LYS CE C 13 41.901 0.2 A 52 LYS CG C 13 24.780 0.2 A 52 LYS N N 15 115.175 0.2 A 53 MET H H 1 7.175 0.02 A 53 MET HA H 1 4.485 0.02 A 53 MET HBx H 1 1.982 0.02 A 53 MET HBy H 1 2.112 0.02 A 53 MET HE% H 1 1.785 0.02 A 53 MET HGx H 1 2.585 0.02 A 53 MET HGy H 1 2.767 0.02 A 53 MET C C 13 176.179 0.2 A 53 MET CA C 13 57.091 0.2 A 53 MET CB C 13 34.125 0.2 A 53 MET CE C 13 18.274 0.2 A 53 MET CG C 13 33.576 0.2 A 53 MET N N 15 120.127 0.2 A 54 ASN H H 1 9.045 0.02 A 54 ASN HA H 1 4.765 0.02 A 54 ASN HBx H 1 2.979 0.02 A 54 ASN HBy H 1 3.380 0.02 A 54 ASN HD21 H 1 7.385 0.02 A 54 ASN HD22 H 1 6.914 0.02 A 54 ASN C C 13 175.154 0.2 A 54 ASN CA C 13 50.941 0.2 A 54 ASN CB C 13 38.535 0.2 A 54 ASN N N 15 120.819 0.2 A 54 ASN ND2 N 15 110.427 0.2 A 55 GLU H H 1 8.891 0.02 A 55 GLU HA H 1 3.824 0.02 A 55 GLU HBx H 1 2.097 0.02 A 55 GLU HBy H 1 2.150 0.02 A 55 GLU HGy H 1 2.407 0.02 A 55 GLU HGx H 1 2.292 0.02 A 55 GLU C C 13 178.122 0.2 A 55 GLU CA C 13 61.252 0.2 A 55 GLU CB C 13 29.669 0.2 A 55 GLU CG C 13 36.759 0.2 A 55 GLU N N 15 116.971 0.2 A 56 GLU H H 1 8.366 0.02 A 56 GLU HA H 1 4.137 0.02 A 56 GLU HBx H 1 2.116 0.02 A 56 GLU HBy H 1 2.183 0.02 A 56 GLU HG2 H 1 2.390 0.02 A 56 GLU HG3 H 1 2.390 0.02 A 56 GLU C C 13 179.937 0.2 A 56 GLU CA C 13 59.816 0.2 A 56 GLU CB C 13 29.082 0.2 A 56 GLU CG C 13 36.840 0.2 A 56 GLU N N 15 119.652 0.2 A 57 GLU H H 1 8.491 0.02 A 57 GLU HA H 1 4.265 0.02 A 57 GLU HBx H 1 2.179 0.02 A 57 GLU HBy H 1 2.316 0.02 A 57 GLU HGx H 1 2.353 0.02 A 57 GLU HGy H 1 2.624 0.02 A 57 GLU C C 13 179.332 0.2 A 57 GLU CA C 13 59.159 0.2 A 57 GLU CB C 13 29.300 0.2 A 57 GLU CG C 13 37.445 0.2 A 57 GLU N N 15 122.119 0.2 A 58 LEU H H 1 8.693 0.02 A 58 LEU HA H 1 4.136 0.02 A 58 LEU HB2 H 1 2.048 0.02 A 58 LEU HB3 H 1 1.223 0.02 A 58 LEU HD1% H 1 0.788 0.02 A 58 LEU HD2% H 1 0.905 0.02 A 58 LEU HG H 1 1.853 0.02 A 58 LEU C C 13 179.218 0.2 A 58 LEU CA C 13 57.685 0.2 A 58 LEU CB C 13 41.850 0.2 A 58 LEU CD1 C 13 27.077 0.2 A 58 LEU CD2 C 13 24.670 0.2 A 58 LEU CG C 13 26.102 0.2 A 58 LEU N N 15 119.424 0.2 A 59 GLU H H 1 8.009 0.02 A 59 GLU HA H 1 4.300 0.02 A 59 GLU HBx H 1 2.187 0.02 A 59 GLU HBy H 1 2.295 0.02 A 59 GLU HGx H 1 2.399 0.02 A 59 GLU HGy H 1 2.508 0.02 A 59 GLU C C 13 179.361 0.2 A 59 GLU CA C 13 59.039 0.2 A 59 GLU CB C 13 29.105 0.2 A 59 GLU CG C 13 35.830 0.2 A 59 GLU N N 15 118.813 0.2 A 60 GLU H H 1 7.867 0.02 A 60 GLU HA H 1 4.256 0.02 A 60 GLU HBx H 1 2.313 0.02 A 60 GLU HBy H 1 2.430 0.02 A 60 GLU HGx H 1 2.516 0.02 A 60 GLU HGy H 1 2.620 0.02 A 60 GLU C C 13 178.451 0.2 A 60 GLU CA C 13 59.649 0.2 A 60 GLU CB C 13 29.764 0.2 A 60 GLU CG C 13 37.380 0.2 A 60 GLU N N 15 121.472 0.2 A 61 TYR H H 1 8.675 0.02 A 61 TYR HA H 1 4.134 0.02 A 61 TYR HB2 H 1 3.122 0.02 A 61 TYR HB3 H 1 3.218 0.02 A 61 TYR HD1 H 1 7.039 0.02 A 61 TYR HD2 H 1 7.039 0.02 A 61 TYR HE1 H 1 6.511 0.02 A 61 TYR HE2 H 1 6.511 0.02 A 61 TYR HH H 1 8.542 0.02 A 61 TYR C C 13 176.278 0.2 A 61 TYR CA C 13 62.171 0.2 A 61 TYR CB C 13 38.190 0.2 A 61 TYR CD1 C 13 132.026 0.2 A 61 TYR CD2 C 13 132.026 0.2 A 61 TYR CE1 C 13 117.517 0.2 A 61 TYR CE2 C 13 117.517 0.2 A 61 TYR N N 15 121.955 0.2 A 62 ASP H H 1 8.481 0.02 A 62 ASP HA H 1 4.263 0.02 A 62 ASP HBx H 1 2.891 0.02 A 62 ASP HBy H 1 3.142 0.02 A 62 ASP C C 13 178.464 0.2 A 62 ASP CA C 13 56.745 0.2 A 62 ASP CB C 13 41.545 0.2 A 62 ASP N N 15 118.314 0.2 A 63 SER H H 1 7.779 0.02 A 63 SER HA H 1 4.361 0.02 A 63 SER HBx H 1 4.252 0.02 A 63 SER HBy H 1 4.350 0.02 A 63 SER C C 13 178.763 0.2 A 63 SER CA C 13 61.824 0.2 A 63 SER CB C 13 62.830 0.2 A 63 SER N N 15 111.380 0.2 A 64 LEU H H 1 8.616 0.02 A 64 LEU HA H 1 4.056 0.02 A 64 LEU HB2 H 1 1.383 0.02 A 64 LEU HB3 H 1 1.907 0.02 A 64 LEU HD1% H 1 0.021 0.02 A 64 LEU HD2% H 1 0.461 0.02 A 64 LEU HG H 1 1.215 0.02 A 64 LEU C C 13 177.688 0.2 A 64 LEU CA C 13 58.051 0.2 A 64 LEU CB C 13 40.175 0.2 A 64 LEU CD1 C 13 21.649 0.2 A 64 LEU CD2 C 13 25.859 0.2 A 64 LEU CG C 13 26.049 0.2 A 64 LEU N N 15 127.444 0.2 A 65 LEU H H 1 7.700 0.02 A 65 LEU HA H 1 3.768 0.02 A 65 LEU HBx H 1 1.384 0.02 A 65 LEU HBy H 1 1.896 0.02 A 65 LEU HD1% H 1 0.638 0.02 A 65 LEU HD2% H 1 0.537 0.02 A 65 LEU HG H 1 1.396 0.02 A 65 LEU C C 13 178.506 0.2 A 65 LEU CA C 13 56.365 0.2 A 65 LEU CB C 13 40.463 0.2 A 65 LEU CD1 C 13 25.661 0.2 A 65 LEU CD2 C 13 22.852 0.2 A 65 LEU CG C 13 26.863 0.2 A 65 LEU N N 15 114.503 0.2 A 66 ASN H H 1 7.533 0.02 A 66 ASN HA H 1 4.739 0.02 A 66 ASN HB2 H 1 3.002 0.02 A 66 ASN HB3 H 1 3.002 0.02 A 66 ASN HD21 H 1 7.626 0.02 A 66 ASN HD22 H 1 6.997 0.02 A 66 ASN C C 13 176.008 0.2 A 66 ASN CA C 13 53.886 0.2 A 66 ASN CB C 13 39.259 0.2 A 66 ASN N N 15 116.208 0.2 A 66 ASN ND2 N 15 113.962 0.2 A 67 GLU H H 1 7.948 0.02 A 67 GLU HA H 1 4.489 0.02 A 67 GLU HB2 H 1 2.015 0.02 A 67 GLU HB3 H 1 2.168 0.02 A 67 GLU HGx H 1 2.570 0.02 A 67 GLU HGy H 1 2.850 0.02 A 67 GLU C C 13 175.410 0.2 A 67 GLU CA C 13 54.966 0.2 A 67 GLU CB C 13 28.420 0.2 A 67 GLU CG C 13 35.805 0.2 A 67 GLU N N 15 120.300 0.2 A 68 LEU H H 1 9.451 0.02 A 68 LEU HA H 1 4.130 0.02 A 68 LEU HB2 H 1 1.669 0.02 A 68 LEU HB3 H 1 1.669 0.02 A 68 LEU HD1% H 1 1.028 0.02 A 68 LEU HD2% H 1 0.956 0.02 A 68 LEU HG H 1 1.906 0.02 A 68 LEU C C 13 178.720 0.2 A 68 LEU CA C 13 54.706 0.2 A 68 LEU CB C 13 41.508 0.2 A 68 LEU CD1 C 13 25.359 0.2 A 68 LEU CD2 C 13 22.673 0.2 A 68 LEU CG C 13 26.885 0.2 A 68 LEU N N 15 120.037 0.2 A 69 ASP H H 1 8.445 0.02 A 69 ASP HA H 1 4.177 0.02 A 69 ASP HBx H 1 2.121 0.02 A 69 ASP HBy H 1 2.241 0.02 A 69 ASP C C 13 179.446 0.2 A 69 ASP CA C 13 58.637 0.2 A 69 ASP CB C 13 40.854 0.2 A 69 ASP N N 15 120.774 0.2 A 70 TRP H H 1 8.809 0.02 A 70 TRP HA H 1 4.118 0.02 A 70 TRP HB2 H 1 2.877 0.02 A 70 TRP HB3 H 1 3.129 0.02 A 70 TRP HD1 H 1 7.263 0.02 A 70 TRP HE1 H 1 9.980 0.02 A 70 TRP HE3 H 1 6.893 0.02 A 70 TRP HH2 H 1 6.948 0.02 A 70 TRP HZ2 H 1 7.354 0.02 A 70 TRP HZ3 H 1 6.505 0.02 A 70 TRP C C 13 176.983 0.2 A 70 TRP CA C 13 60.103 0.2 A 70 TRP CB C 13 28.391 0.2 A 70 TRP CD1 C 13 126.288 0.2 A 70 TRP CE3 C 13 120.204 0.2 A 70 TRP CH2 C 13 124.537 0.2 A 70 TRP CZ2 C 13 114.462 0.2 A 70 TRP CZ3 C 13 121.233 0.2 A 70 TRP N N 15 117.865 0.2 A 70 TRP NE1 N 15 127.588 0.2 A 71 ASP H H 1 6.134 0.02 A 71 ASP HA H 1 3.862 0.02 A 71 ASP HBx H 1 0.857 0.02 A 71 ASP HBy H 1 2.137 0.02 A 71 ASP C C 13 175.218 0.2 A 71 ASP CA C 13 57.453 0.2 A 71 ASP CB C 13 38.723 0.2 A 71 ASP N N 15 116.993 0.2 A 72 ILE H H 1 7.302 0.02 A 72 ILE HA H 1 2.872 0.02 A 72 ILE HB H 1 1.529 0.02 A 72 ILE HD1% H 1 0.614 0.02 A 72 ILE HG1x H 1 0.349 0.02 A 72 ILE HG1y H 1 1.424 0.02 A 72 ILE HG2% H 1 0.609 0.02 A 72 ILE C C 13 177.097 0.2 A 72 ILE CA C 13 66.119 0.2 A 72 ILE CB C 13 38.279 0.2 A 72 ILE CD1 C 13 14.277 0.2 A 72 ILE CG1 C 13 28.401 0.2 A 72 ILE CG2 C 13 17.019 0.2 A 72 ILE N N 15 115.361 0.2 A 73 TYR H H 1 7.327 0.02 A 73 TYR HA H 1 3.741 0.02 A 73 TYR HBx H 1 2.558 0.02 A 73 TYR HBy H 1 2.845 0.02 A 73 TYR HD1 H 1 6.628 0.02 A 73 TYR HD2 H 1 6.628 0.02 A 73 TYR HE1 H 1 6.872 0.02 A 73 TYR HE2 H 1 6.872 0.02 A 73 TYR C C 13 178.827 0.2 A 73 TYR CA C 13 62.150 0.2 A 73 TYR CB C 13 38.172 0.2 A 73 TYR CD1 C 13 132.404 0.2 A 73 TYR CD2 C 13 132.404 0.2 A 73 TYR CE1 C 13 118.196 0.2 A 73 TYR CE2 C 13 118.196 0.2 A 73 TYR N N 15 116.121 0.2 A 74 TYR H H 1 8.922 0.02 A 74 TYR HA H 1 4.276 0.02 A 74 TYR HB2 H 1 2.980 0.02 A 74 TYR HB3 H 1 3.442 0.02 A 74 TYR HD1 H 1 7.155 0.02 A 74 TYR HD2 H 1 7.155 0.02 A 74 TYR HE1 H 1 6.760 0.02 A 74 TYR HE2 H 1 6.760 0.02 A 74 TYR C C 13 178.165 0.2 A 74 TYR CA C 13 59.277 0.2 A 74 TYR CB C 13 35.784 0.2 A 74 TYR CD1 C 13 132.294 0.2 A 74 TYR CD2 C 13 132.294 0.2 A 74 TYR CE1 C 13 117.864 0.2 A 74 TYR CE2 C 13 117.864 0.2 A 74 TYR N N 15 121.029 0.2 A 75 TRP H H 1 9.201 0.02 A 75 TRP HA H 1 4.755 0.02 A 75 TRP HB2 H 1 3.255 0.02 A 75 TRP HB3 H 1 3.078 0.02 A 75 TRP HD1 H 1 7.093 0.02 A 75 TRP HE1 H 1 9.277 0.02 A 75 TRP HE3 H 1 6.634 0.02 A 75 TRP HH2 H 1 7.086 0.02 A 75 TRP HZ2 H 1 7.398 0.02 A 75 TRP HZ3 H 1 6.063 0.02 A 75 TRP C C 13 180.599 0.2 A 75 TRP CA C 13 57.770 0.2 A 75 TRP CB C 13 28.411 0.2 A 75 TRP CD1 C 13 124.067 0.2 A 75 TRP CE3 C 13 118.557 0.2 A 75 TRP CH2 C 13 123.409 0.2 A 75 TRP CZ2 C 13 114.216 0.2 A 75 TRP CZ3 C 13 120.579 0.2 A 75 TRP N N 15 121.118 0.2 A 75 TRP NE1 N 15 127.755 0.2 A 76 ALA H H 1 8.761 0.02 A 76 ALA HA H 1 3.956 0.02 A 76 ALA HB% H 1 1.422 0.02 A 76 ALA C C 13 177.546 0.2 A 76 ALA CA C 13 55.200 0.2 A 76 ALA CB C 13 19.225 0.2 A 76 ALA N N 15 122.129 0.2 A 77 THR H H 1 7.411 0.02 A 77 THR HA H 1 4.192 0.02 A 77 THR HB H 1 4.327 0.02 A 77 THR HG1 H 1 3.920 0.02 A 77 THR HG2% H 1 0.788 0.02 A 77 THR C C 13 173.425 0.2 A 77 THR CA C 13 60.767 0.2 A 77 THR CB C 13 69.573 0.2 A 77 THR CG2 C 13 20.960 0.2 A 77 THR N N 15 102.584 0.2 A 78 LYS H H 1 7.420 0.02 A 78 LYS HA H 1 2.830 0.02 A 78 LYS HBx H 1 1.767 0.02 A 78 LYS HBy H 1 1.991 0.02 A 78 LYS HDx H 1 1.681 0.02 A 78 LYS HDy H 1 1.770 0.02 A 78 LYS HEx H 1 2.875 0.02 A 78 LYS HEy H 1 2.963 0.02 A 78 LYS HG2 H 1 1.267 0.02 A 78 LYS HG3 H 1 1.267 0.02 A 78 LYS C C 13 174.514 0.2 A 78 LYS CA C 13 57.242 0.2 A 78 LYS CB C 13 28.333 0.2 A 78 LYS CD C 13 29.731 0.2 A 78 LYS CE C 13 42.209 0.2 A 78 LYS CG C 13 25.594 0.2 A 78 LYS N N 15 116.069 0.2 A 79 ASN H H 1 8.828 0.02 A 79 ASN HA H 1 4.797 0.02 A 79 ASN HBx H 1 2.507 0.02 A 79 ASN HBy H 1 2.929 0.02 A 79 ASN HD21 H 1 7.384 0.02 A 79 ASN HD22 H 1 6.737 0.02 A 79 ASN C C 13 175.581 0.2 A 79 ASN CA C 13 50.595 0.2 A 79 ASN CB C 13 36.999 0.2 A 79 ASN N N 15 120.318 0.2 A 79 ASN ND2 N 15 110.893 0.2 A 80 PHE H H 1 7.581 0.02 A 80 PHE HA H 1 4.869 0.02 A 80 PHE HBx H 1 2.765 0.02 A 80 PHE HBy H 1 3.532 0.02 A 80 PHE HD1 H 1 7.509 0.02 A 80 PHE HD2 H 1 7.509 0.02 A 80 PHE HE1 H 1 7.393 0.02 A 80 PHE HE2 H 1 7.393 0.02 A 80 PHE HZ H 1 7.236 0.02 A 80 PHE C C 13 177.311 0.2 A 80 PHE CA C 13 56.745 0.2 A 80 PHE CB C 13 38.211 0.2 A 80 PHE CD1 C 13 131.376 0.2 A 80 PHE CD2 C 13 131.376 0.2 A 80 PHE CE1 C 13 131.347 0.2 A 80 PHE CE2 C 13 131.347 0.2 A 80 PHE CZ C 13 129.154 0.2 A 80 PHE N N 15 120.545 0.2 A 81 LYS H H 1 7.999 0.02 A 81 LYS HA H 1 4.061 0.02 A 81 LYS HBx H 1 1.768 0.02 A 81 LYS HBy H 1 1.845 0.02 A 81 LYS HD2 H 1 1.674 0.02 A 81 LYS HD3 H 1 1.674 0.02 A 81 LYS HE2 H 1 2.976 0.02 A 81 LYS HE3 H 1 2.976 0.02 A 81 LYS HG2 H 1 1.423 0.02 A 81 LYS HG3 H 1 1.423 0.02 A 81 LYS C C 13 177.845 0.2 A 81 LYS CA C 13 58.508 0.2 A 81 LYS CB C 13 32.091 0.2 A 81 LYS CD C 13 28.756 0.2 A 81 LYS CE C 13 41.962 0.2 A 81 LYS CG C 13 24.756 0.2 A 81 LYS N N 15 118.568 0.2 A 82 THR H H 1 7.419 0.02 A 82 THR HA H 1 4.098 0.02 A 82 THR HB H 1 3.401 0.02 A 82 THR HG2% H 1 0.732 0.02 A 82 THR C C 13 174.556 0.2 A 82 THR CA C 13 63.796 0.2 A 82 THR CB C 13 68.509 0.2 A 82 THR CG2 C 13 21.607 0.2 A 82 THR N N 15 111.828 0.2 A 83 SER H H 1 7.312 0.02 A 83 SER HA H 1 5.000 0.02 A 83 SER HB2 H 1 3.746 0.02 A 83 SER HB3 H 1 4.051 0.02 A 83 SER C C 13 170.371 0.2 A 83 SER CA C 13 54.673 0.2 A 83 SER CB C 13 63.763 0.2 A 83 SER N N 15 115.546 0.2 A 84 PRO HA H 1 4.555 0.02 A 84 PRO HBx H 1 1.796 0.02 A 84 PRO HBy H 1 2.291 0.02 A 84 PRO HDx H 1 3.512 0.02 A 84 PRO HDy H 1 3.822 0.02 A 84 PRO HG2 H 1 2.048 0.02 A 84 PRO HG3 H 1 2.048 0.02 A 84 PRO C C 13 176.855 0.2 A 84 PRO CA C 13 62.540 0.2 A 84 PRO CB C 13 32.083 0.2 A 84 PRO CD C 13 50.262 0.2 A 84 PRO CG C 13 27.122 0.2 A 85 LEU H H 1 8.171 0.02 A 85 LEU HA H 1 3.813 0.02 A 85 LEU HBx H 1 0.774 0.02 A 85 LEU HBy H 1 1.201 0.02 A 85 LEU HD1% H 1 0.059 0.02 A 85 LEU HD2% H 1 0.376 0.02 A 85 LEU HG H 1 1.083 0.02 A 85 LEU C C 13 175.168 0.2 A 85 LEU CA C 13 52.337 0.2 A 85 LEU CB C 13 42.360 0.2 A 85 LEU CD1 C 13 23.587 0.2 A 85 LEU CD2 C 13 25.367 0.2 A 85 LEU CG C 13 25.329 0.2 A 85 LEU N N 15 125.147 0.2 A 86 PRO HA H 1 4.508 0.02 A 86 PRO HB2 H 1 1.773 0.02 A 86 PRO HB3 H 1 2.544 0.02 A 86 PRO HD2 H 1 2.493 0.02 A 86 PRO HD3 H 1 4.209 0.02 A 86 PRO HG2 H 1 2.203 0.02 A 86 PRO HG3 H 1 2.203 0.02 A 86 PRO C C 13 177.111 0.2 A 86 PRO CA C 13 62.261 0.2 A 86 PRO CB C 13 32.775 0.2 A 86 PRO CD C 13 51.821 0.2 A 86 PRO CG C 13 28.103 0.2 A 87 ASP H H 1 8.649 0.02 A 87 ASP HA H 1 4.155 0.02 A 87 ASP HB2 H 1 2.541 0.02 A 87 ASP HB3 H 1 2.541 0.02 A 87 ASP C C 13 178.392 0.2 A 87 ASP CA C 13 57.499 0.2 A 87 ASP CB C 13 40.120 0.2 A 87 ASP N N 15 123.224 0.2 A 88 LYS H H 1 8.344 0.02 A 88 LYS HA H 1 3.831 0.02 A 88 LYS HBx H 1 1.258 0.02 A 88 LYS HBy H 1 1.576 0.02 A 88 LYS HD2 H 1 1.356 0.02 A 88 LYS HD3 H 1 1.356 0.02 A 88 LYS HEx H 1 2.627 0.02 A 88 LYS HEy H 1 2.662 0.02 A 88 LYS HGx H 1 0.416 0.02 A 88 LYS HGy H 1 0.562 0.02 A 88 LYS C C 13 176.585 0.2 A 88 LYS CA C 13 58.259 0.2 A 88 LYS CB C 13 31.734 0.2 A 88 LYS CD C 13 29.062 0.2 A 88 LYS CE C 13 41.738 0.2 A 88 LYS CG C 13 23.493 0.2 A 88 LYS N N 15 115.960 0.2 A 89 TRP H H 1 7.145 0.02 A 89 TRP HA H 1 4.814 0.02 A 89 TRP HBx H 1 2.113 0.02 A 89 TRP HBy H 1 3.392 0.02 A 89 TRP HD1 H 1 6.442 0.02 A 89 TRP HE1 H 1 10.665 0.02 A 89 TRP HE3 H 1 7.649 0.02 A 89 TRP HH2 H 1 7.489 0.02 A 89 TRP HZ2 H 1 7.365 0.02 A 89 TRP HZ3 H 1 7.238 0.02 A 89 TRP C C 13 176.329 0.2 A 89 TRP CA C 13 56.147 0.2 A 89 TRP CB C 13 31.502 0.2 A 89 TRP CD1 C 13 126.277 0.2 A 89 TRP CE3 C 13 120.546 0.2 A 89 TRP CH2 C 13 124.675 0.2 A 89 TRP CZ2 C 13 113.783 0.2 A 89 TRP CZ3 C 13 121.620 0.2 A 89 TRP N N 15 116.821 0.2 A 89 TRP NE1 N 15 127.820 0.2 A 90 ALA H H 1 7.456 0.02 A 90 ALA HA H 1 3.866 0.02 A 90 ALA HB% H 1 1.318 0.02 A 90 ALA C C 13 177.965 0.2 A 90 ALA CA C 13 54.711 0.2 A 90 ALA CB C 13 18.379 0.2 A 90 ALA N N 15 122.680 0.2 A 91 ASN H H 1 8.318 0.02 A 91 ASN HA H 1 4.815 0.02 A 91 ASN HBx H 1 2.574 0.02 A 91 ASN HBy H 1 2.914 0.02 A 91 ASN HD21 H 1 7.546 0.02 A 91 ASN HD22 H 1 6.895 0.02 A 91 ASN C C 13 174.727 0.2 A 91 ASN CA C 13 52.389 0.2 A 91 ASN CB C 13 38.707 0.2 A 91 ASN N N 15 114.054 0.2 A 91 ASN ND2 N 15 113.995 0.2 A 92 SER H H 1 7.255 0.02 A 92 SER HA H 1 4.649 0.02 A 92 SER HBx H 1 4.212 0.02 A 92 SER HBy H 1 4.332 0.02 A 92 SER C C 13 177.033 0.2 A 92 SER CA C 13 57.599 0.2 A 92 SER CB C 13 64.454 0.2 A 92 SER N N 15 113.359 0.2 A 93 LYS H H 1 9.608 0.02 A 93 LYS HA H 1 4.130 0.02 A 93 LYS HB2 H 1 1.996 0.02 A 93 LYS HB3 H 1 1.996 0.02 A 93 LYS HD2 H 1 1.779 0.02 A 93 LYS HD3 H 1 1.779 0.02 A 93 LYS HE2 H 1 3.061 0.02 A 93 LYS HE3 H 1 3.061 0.02 A 93 LYS HGx H 1 1.521 0.02 A 93 LYS HGy H 1 1.658 0.02 A 93 LYS C C 13 178.763 0.2 A 93 LYS CA C 13 59.129 0.2 A 93 LYS CB C 13 32.083 0.2 A 93 LYS CD C 13 29.114 0.2 A 93 LYS CE C 13 41.931 0.2 A 93 LYS CG C 13 25.058 0.2 A 93 LYS N N 15 133.672 0.2 A 94 LEU H H 1 8.000 0.02 A 94 LEU HA H 1 4.351 0.02 A 94 LEU HBx H 1 1.734 0.02 A 94 LEU HBy H 1 2.017 0.02 A 94 LEU HD1% H 1 1.136 0.02 A 94 LEU HD2% H 1 1.149 0.02 A 94 LEU HG H 1 1.627 0.02 A 94 LEU C C 13 178.663 0.2 A 94 LEU CA C 13 57.236 0.2 A 94 LEU CB C 13 41.161 0.2 A 94 LEU CD1 C 13 24.055 0.2 A 94 LEU CD2 C 13 26.321 0.2 A 94 LEU CG C 13 27.470 0.2 A 94 LEU N N 15 122.086 0.2 A 95 LEU H H 1 7.997 0.02 A 95 LEU HA H 1 3.925 0.02 A 95 LEU HB2 H 1 1.611 0.02 A 95 LEU HB3 H 1 2.027 0.02 A 95 LEU HD1% H 1 0.873 0.02 A 95 LEU HD2% H 1 0.915 0.02 A 95 LEU HG H 1 1.690 0.02 A 95 LEU C C 13 178.530 0.2 A 95 LEU CA C 13 57.381 0.2 A 95 LEU CB C 13 40.924 0.2 A 95 LEU CD1 C 13 23.661 0.2 A 95 LEU CD2 C 13 26.332 0.2 A 95 LEU CG C 13 27.322 0.2 A 95 LEU N N 15 118.720 0.2 A 96 LYS H H 1 7.341 0.02 A 96 LYS HA H 1 4.256 0.02 A 96 LYS HB2 H 1 2.016 0.02 A 96 LYS HB3 H 1 2.016 0.02 A 96 LYS HD2 H 1 1.773 0.02 A 96 LYS HD3 H 1 1.773 0.02 A 96 LYS HE2 H 1 3.054 0.02 A 96 LYS HE3 H 1 3.054 0.02 A 96 LYS HGy H 1 1.660 0.02 A 96 LYS HGx H 1 1.542 0.02 A 96 LYS C C 13 179.147 0.2 A 96 LYS CA C 13 59.462 0.2 A 96 LYS CB C 13 31.920 0.2 A 96 LYS CD C 13 29.213 0.2 A 96 LYS CE C 13 42.130 0.2 A 96 LYS CG C 13 25.034 0.2 A 96 LYS N N 15 117.880 0.2 A 97 GLN H H 1 8.007 0.02 A 97 GLN HA H 1 4.194 0.02 A 97 GLN HB2 H 1 2.427 0.02 A 97 GLN HB3 H 1 2.092 0.02 A 97 GLN HE21 H 1 6.742 0.02 A 97 GLN HE22 H 1 6.685 0.02 A 97 GLN HGx H 1 2.238 0.02 A 97 GLN HGy H 1 2.517 0.02 A 97 GLN C C 13 179.040 0.2 A 97 GLN CA C 13 59.082 0.2 A 97 GLN CB C 13 29.047 0.2 A 97 GLN CG C 13 34.466 0.2 A 97 GLN N N 15 119.660 0.2 A 97 GLN NE2 N 15 109.121 0.2 A 98 LEU H H 1 8.425 0.02 A 98 LEU HA H 1 3.851 0.02 A 98 LEU HBx H 1 0.946 0.02 A 98 LEU HBy H 1 1.772 0.02 A 98 LEU HD1% H 1 0.281 0.02 A 98 LEU HD2% H 1 0.425 0.02 A 98 LEU HG H 1 1.214 0.02 A 98 LEU C C 13 178.841 0.2 A 98 LEU CA C 13 58.081 0.2 A 98 LEU CB C 13 41.896 0.2 A 98 LEU CD1 C 13 23.406 0.2 A 98 LEU CD2 C 13 25.678 0.2 A 98 LEU CG C 13 26.581 0.2 A 98 LEU N N 15 122.983 0.2 A 99 GLN H H 1 8.594 0.02 A 99 GLN HA H 1 4.640 0.02 A 99 GLN HB2 H 1 1.868 0.02 A 99 GLN HB3 H 1 2.645 0.02 A 99 GLN HE21 H 1 7.482 0.02 A 99 GLN HE22 H 1 7.291 0.02 A 99 GLN HGx H 1 2.704 0.02 A 99 GLN HGy H 1 2.958 0.02 A 99 GLN C C 13 179.660 0.2 A 99 GLN CA C 13 57.816 0.2 A 99 GLN CB C 13 27.417 0.2 A 99 GLN CG C 13 33.458 0.2 A 99 GLN N N 15 119.099 0.2 A 99 GLN NE2 N 15 107.015 0.2 A 100 GLU H H 1 8.353 0.02 A 100 GLU HA H 1 4.111 0.02 A 100 GLU HB2 H 1 2.250 0.02 A 100 GLU HB3 H 1 2.250 0.02 A 100 GLU HGx H 1 2.343 0.02 A 100 GLU HGy H 1 2.563 0.02 A 100 GLU C C 13 178.870 0.2 A 100 GLU CA C 13 59.449 0.2 A 100 GLU CB C 13 29.380 0.2 A 100 GLU CG C 13 36.625 0.2 A 100 GLU N N 15 120.803 0.2 A 101 PHE H H 1 8.544 0.02 A 101 PHE HA H 1 4.473 0.02 A 101 PHE HB2 H 1 3.698 0.02 A 101 PHE HB3 H 1 3.482 0.02 A 101 PHE HD1 H 1 7.491 0.02 A 101 PHE HD2 H 1 7.491 0.02 A 101 PHE HE1 H 1 7.603 0.02 A 101 PHE HE2 H 1 7.603 0.02 A 101 PHE HZ H 1 7.270 0.02 A 101 PHE C C 13 177.289 0.2 A 101 PHE CA C 13 61.117 0.2 A 101 PHE CB C 13 39.703 0.2 A 101 PHE CD1 C 13 131.665 0.2 A 101 PHE CD2 C 13 131.665 0.2 A 101 PHE CE1 C 13 131.761 0.2 A 101 PHE CE2 C 13 131.761 0.2 A 101 PHE CZ C 13 129.771 0.2 A 101 PHE N N 15 120.752 0.2 A 102 SER H H 1 8.314 0.02 A 102 SER HA H 1 3.821 0.02 A 102 SER HBx H 1 3.854 0.02 A 102 SER HBy H 1 4.023 0.02 A 102 SER C C 13 176.414 0.2 A 102 SER CA C 13 61.123 0.2 A 102 SER CB C 13 63.193 0.2 A 102 SER N N 15 112.889 0.2 A 103 GLU H H 1 7.809 0.02 A 103 GLU HA H 1 4.114 0.02 A 103 GLU HB2 H 1 2.081 0.02 A 103 GLU HB3 H 1 2.081 0.02 A 103 GLU HGx H 1 2.315 0.02 A 103 GLU HGy H 1 2.442 0.02 A 103 GLU C C 13 177.375 0.2 A 103 GLU CA C 13 57.801 0.2 A 103 GLU CB C 13 30.026 0.2 A 103 GLU CG C 13 36.165 0.2 A 103 GLU N N 15 118.066 0.2 A 104 ASN H H 1 7.917 0.02 A 104 ASN HA H 1 4.647 0.02 A 104 ASN HBx H 1 2.781 0.02 A 104 ASN HBy H 1 2.877 0.02 A 104 ASN HD21 H 1 7.652 0.02 A 104 ASN HD22 H 1 7.021 0.02 A 104 ASN C C 13 175.752 0.2 A 104 ASN CA C 13 53.739 0.2 A 104 ASN CB C 13 38.622 0.2 A 104 ASN N N 15 117.241 0.2 A 104 ASN ND2 N 15 112.799 0.2 A 105 LYS H H 1 8.093 0.02 A 105 LYS HA H 1 4.068 0.02 A 105 LYS HB2 H 1 1.680 0.02 A 105 LYS HB3 H 1 1.680 0.02 A 105 LYS HD2 H 1 1.589 0.02 A 105 LYS HD3 H 1 1.589 0.02 A 105 LYS HE2 H 1 2.964 0.02 A 105 LYS HE3 H 1 2.964 0.02 A 105 LYS HGx H 1 1.250 0.02 A 105 LYS HGy H 1 1.314 0.02 A 105 LYS C C 13 177.311 0.2 A 105 LYS CA C 13 57.374 0.2 A 105 LYS CB C 13 32.037 0.2 A 105 LYS CD C 13 28.778 0.2 A 105 LYS CE C 13 41.895 0.2 A 105 LYS CG C 13 24.151 0.2 A 105 LYS N N 15 121.903 0.2 A 106 GLU H H 1 8.200 0.02 A 106 GLU HA H 1 4.269 0.02 A 106 GLU HB2 H 1 1.965 0.02 A 106 GLU HB3 H 1 2.132 0.02 A 106 GLU HGx H 1 2.280 0.02 A 106 GLU HGy H 1 2.312 0.02 A 106 GLU C C 13 176.585 0.2 A 106 GLU CA C 13 56.691 0.2 A 106 GLU CB C 13 29.700 0.2 A 106 GLU CG C 13 36.155 0.2 A 106 GLU N N 15 119.595 0.2 A 107 LYS H H 1 7.838 0.02 A 107 LYS HA H 1 4.267 0.02 A 107 LYS HBx H 1 1.811 0.02 A 107 LYS HBy H 1 1.878 0.02 A 107 LYS HD2 H 1 1.702 0.02 A 107 LYS HD3 H 1 1.702 0.02 A 107 LYS HE2 H 1 2.983 0.02 A 107 LYS HE3 H 1 2.983 0.02 A 107 LYS HG2 H 1 1.456 0.02 A 107 LYS HG3 H 1 1.456 0.02 A 107 LYS C C 13 176.435 0.2 A 107 LYS CA C 13 56.452 0.2 A 107 LYS CB C 13 33.110 0.2 A 107 LYS CD C 13 29.047 0.2 A 107 LYS CE C 13 41.920 0.2 A 107 LYS CG C 13 24.667 0.2 A 107 LYS N N 15 120.538 0.2 A 108 GLU H H 1 8.313 0.02 A 108 GLU HA H 1 4.317 0.02 A 108 GLU HBx H 1 1.957 0.02 A 108 GLU HBy H 1 2.080 0.02 A 108 GLU HGx H 1 2.251 0.02 A 108 GLU HGy H 1 2.314 0.02 A 108 GLU C C 13 175.403 0.2 A 108 GLU CA C 13 56.565 0.2 A 108 GLU CB C 13 30.057 0.2 A 108 GLU CG C 13 36.143 0.2 A 108 GLU N N 15 122.869 0.2 A 109 ILE H H 1 7.705 0.02 A 109 ILE HA H 1 4.093 0.02 A 109 ILE HB H 1 1.837 0.02 A 109 ILE HD1% H 1 0.813 0.02 A 109 ILE HG1x H 1 1.119 0.02 A 109 ILE HG1y H 1 1.397 0.02 A 109 ILE HG2% H 1 0.875 0.02 A 109 ILE C C 13 181.019 0.2 A 109 ILE CA C 13 62.738 0.2 A 109 ILE CB C 13 39.532 0.2 A 109 ILE CD1 C 13 13.399 0.2 A 109 ILE CG1 C 13 27.040 0.2 A 109 ILE CG2 C 13 17.935 0.2 A 109 ILE N N 15 125.937 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 12 ILE H A 13 LYS H 1.0 0.0 4.53 2 2 A 104 ASN H A 105 LYS H 1.0 0.0 3.49 3 3 A 12 ILE H A 11 MET HA 1.0 0.0 3.08 4 4 A 12 ILE H A 12 ILE HB 1.0 0.0 3.47 5 5 A 12 ILE H A 12 ILE HG1y 1.0 0.0 4.05 6 6 A 12 ILE H A 12 ILE HG1x 1.0 0.0 4.05 7 7 A 12 ILE H A 12 ILE HD1% 1.0 0.0 4.80 8 8 A 13 LYS H A 12 ILE HA 1.0 0.0 3.07 9 9 A 13 LYS H A 13 LYS HBy 1.0 0.0 3.76 10 10 A 13 LYS H A 12 ILE HG2% 1.0 0.0 4.13 11 11 A 14 ARG H A 15 THR H 1.0 0.0 4.32 12 12 A 14 ARG H A 13 LYS HA 1.0 0.0 3.42 13 13 A 24 ALA HA A 27 ILE H 1.0 0.0 4.53 14 14 A 27 ILE H A 27 ILE HB 1.0 0.0 3.42 15 15 A 14 ARG H A 14 ARG HGx 1.0 0.0 4.87 16 16 A 14 ARG H A 14 ARG HGy 1.0 0.0 4.87 17 17 A 27 ILE H A 26 LEU HB3 1.0 0.0 4.37 18 18 A 27 ILE H A 26 LEU HD1% 1.0 0.0 4.82 19 19 A 27 ILE H A 27 ILE HG12 1.0 0.0 4.39 20 20 A 27 ILE H A 50 LEU HD1% 1.0 0.0 4.53 21 21 A 17 GLU H A 17 GLU HGx 1.0 0.0 5.42 22 22 A 17 GLU H A 17 GLU HGy 1.0 0.0 5.42 23 23 A 17 GLU H A 17 GLU HBy 1.0 0.0 3.79 24 24 A 17 GLU H A 17 GLU HBx 1.0 0.0 3.79 25 25 A 18 PRO HA A 19 LEU H 1.0 0.0 3.16 26 26 A 19 LEU H A 18 PRO HB3 1.0 0.0 4.24 27 27 A 19 LEU H A 18 PRO HB2 1.0 0.0 4.29 28 28 A 19 LEU H A 19 LEU HBy 1.0 0.0 3.80 29 29 A 19 LEU H A 19 LEU HBx 1.0 0.0 3.80 30 30 A 19 LEU H A 19 LEU HD2% 1.0 0.0 4.28 31 31 A 20 ASP H A 21 LYS H 1.0 0.0 3.52 32 32 A 18 PRO HA A 20 ASP H 1.0 0.0 4.82 33 33 A 20 ASP H A 20 ASP HBy 1.0 0.0 3.80 34 34 A 20 ASP H A 20 ASP HBx 1.0 0.0 3.80 35 35 A 18 PRO HB2 A 20 ASP H 1.0 0.0 4.17 36 36 A 20 ASP H A 19 LEU HBy 1.0 0.0 4.08 37 37 A 20 ASP H A 19 LEU HBx 1.0 0.0 4.08 38 38 A 20 ASP H A 19 LEU HD1% 1.0 0.0 4.99 39 39 A 19 LEU HD2% A 20 ASP H 1.0 0.0 5.44 40 40 A 21 LYS H A 22 LYS H 1.0 0.0 3.49 41 41 A 21 LYS H A 19 LEU HA 1.0 0.0 4.91 42 42 A 21 LYS H A 20 ASP HBy 1.0 0.0 4.79 43 43 A 21 LYS H A 20 ASP HBx 1.0 0.0 4.79 44 44 A 21 LYS H A 21 LYS HBy 1.0 0.0 3.64 45 45 A 21 LYS H A 21 LYS HBx 1.0 0.0 3.64 46 46 A 21 LYS H A 21 LYS HGy 1.0 0.0 3.97 47 47 A 21 LYS H A 21 LYS HGx 1.0 0.0 3.97 48 48 A 22 LYS H A 19 LEU HA 1.0 0.0 4.18 49 49 A 97 GLN HB2 A 98 LEU H 1.0 0.0 4.04 50 50 A 22 LYS H A 21 LYS HBx 1.0 0.0 4.05 51 51 A 22 LYS H A 22 LYS HBy 1.0 0.0 4.08 52 52 A 22 LYS H A 22 LYS HBx 1.0 0.0 4.08 53 53 A 98 LEU H A 94 LEU HD1% 1.0 0.0 4.60 54 54 A 98 LEU H A 98 LEU HBx 1.0 0.0 3.59 55 55 A 22 LYS H A 23 ARG H 1.0 0.0 3.72 56 56 A 21 LYS H A 23 ARG H 1.0 0.0 4.91 57 57 A 19 LEU HA A 23 ARG H 1.0 0.0 4.66 58 58 A 23 ARG H A 23 ARG HBy 1.0 0.0 3.62 59 59 A 23 ARG H A 23 ARG HGx 1.0 0.0 4.61 60 60 A 23 ARG H A 58 LEU HD1% 1.0 0.0 4.58 61 61 A 23 ARG H A 50 LEU HD2% 1.0 0.0 5.07 62 62 A 23 ARG H A 24 ALA H 1.0 0.0 3.79 63 63 A 24 ALA H A 25 ARG H 1.0 0.0 3.64 64 64 A 24 ALA H A 23 ARG HBy 1.0 0.0 3.92 65 65 A 24 ALA H A 23 ARG HBx 1.0 0.0 3.92 66 66 A 24 ALA H A 27 ILE HD1% 1.0 0.0 4.89 67 67 A 25 ARG H A 22 LYS HA 1.0 0.0 4.60 68 68 A 25 ARG H A 25 ARG HBy 1.0 0.0 3.72 69 69 A 25 ARG H A 25 ARG HBx 1.0 0.0 3.72 70 70 A 25 ARG H A 24 ALA HB% 1.0 0.0 3.47 71 71 A 27 ILE H A 26 LEU H 1.0 0.0 3.80 72 72 A 22 LYS HA A 26 LEU H 1.0 0.0 5.24 73 73 A 24 ALA HA A 26 LEU H 1.0 0.0 5.50 74 74 A 26 LEU H A 26 LEU HB2 1.0 0.0 3.45 75 75 A 26 LEU H A 26 LEU HG 1.0 0.0 3.95 76 76 A 26 LEU HB3 A 26 LEU H 1.0 0.0 3.96 77 77 A 50 LEU HD2% A 26 LEU H 1.0 0.0 4.71 78 78 A 28 TYR H A 29 GLN H 1.0 0.0 3.89 79 79 A 60 GLU H A 61 TYR H 1.0 0.0 3.52 80 80 A 27 ILE H A 28 TYR H 1.0 0.0 3.67 81 81 A 28 TYR H A 28 TYR HBy 1.0 0.0 3.58 82 82 A 28 TYR H A 28 TYR HBx 1.0 0.0 3.58 83 83 A 60 GLU H A 60 GLU HBy 1.0 0.0 3.64 84 84 A 60 GLU H A 60 GLU HBx 1.0 0.0 3.64 85 85 A 27 ILE HB A 28 TYR H 1.0 0.0 3.77 86 86 A 28 TYR H A 27 ILE HG2% 1.0 0.0 3.97 87 87 A 29 GLN H A 28 TYR HBy 1.0 0.0 4.50 88 88 A 29 GLN H A 28 TYR HBx 1.0 0.0 4.50 89 89 A 29 GLN H A 29 GLN HGy 1.0 0.0 4.25 90 90 A 29 GLN H A 29 GLN HBx 1.0 0.0 4.15 91 91 A 42 LEU H A 41 LEU HB2 1.0 0.0 4.45 92 91 A 41 LEU HB3 A 42 LEU H 1.0 0.0 4.45 93 92 A 29 GLN H A 30 SER H 1.0 0.0 4.05 94 93 A 30 SER H A 31 ARG H 1.0 0.0 3.98 95 94 A 30 SER H A 29 GLN HBy 1.0 0.0 4.93 96 95 A 30 SER H A 46 ALA HB% 1.0 0.0 4.99 97 96 A 27 ILE HG2% A 30 SER H 1.0 0.0 5.00 98 97 A 31 ARG H A 32 LYS H 1.0 0.0 4.07 99 98 A 63 SER HA A 66 ASN HD22 1.0 0.0 4.49 100 99 A 31 ARG H A 28 TYR HA 1.0 0.0 4.93 101 100 A 66 ASN HD22 A 66 ASN HB2 1.0 0.0 3.96 102 100 A 66 ASN HD22 A 66 ASN HB3 1.0 0.0 3.96 103 101 A 32 LYS H A 33 ARG H 1.0 0.0 5.06 104 102 A 33 ARG H A 33 ARG HG2 1.0 0.0 5.05 105 102 A 33 ARG H A 33 ARG HG3 1.0 0.0 5.05 106 103 A 34 GLY H A 35 ILE H 1.0 0.0 4.62 107 104 A 34 GLY H A 33 ARG HBy 1.0 0.0 5.21 108 105 A 36 LEU H A 36 LEU HB2 1.0 0.0 3.69 109 105 A 36 LEU H A 36 LEU HB3 1.0 0.0 3.69 110 106 A 35 ILE HB A 37 GLU H 1.0 0.0 4.88 111 107 A 38 THR H A 37 GLU HB2 1.0 0.0 4.88 112 107 A 37 GLU HB3 A 38 THR H 1.0 0.0 4.88 113 108 A 39 ASP H A 40 LEU H 1.0 0.0 4.34 114 109 A 38 THR H A 39 ASP H 1.0 0.0 4.28 115 110 A 39 ASP H A 36 LEU HA 1.0 0.0 4.76 116 111 A 39 ASP H A 38 THR HB 1.0 0.0 4.75 117 112 A 39 ASP H A 39 ASP HBy 1.0 0.0 4.17 118 113 A 39 ASP H A 39 ASP HBx 1.0 0.0 4.17 119 114 A 99 GLN H A 99 GLN HB3 1.0 0.0 3.90 120 115 A 99 GLN H A 99 GLN HGx 1.0 0.0 4.40 121 116 A 42 LEU H A 41 LEU H 1.0 0.0 4.31 122 117 A 40 LEU H A 41 LEU H 1.0 0.0 4.27 123 118 A 41 LEU H A 41 LEU HB2 1.0 0.0 3.52 124 118 A 41 LEU HB3 A 41 LEU H 1.0 0.0 3.52 125 119 A 41 LEU H A 40 LEU HBx 1.0 0.0 4.37 126 120 A 41 LEU H A 38 THR HG2% 1.0 0.0 5.34 127 121 A 41 LEU H A 40 LEU HD1% 1.0 0.0 4.87 128 122 A 42 LEU H A 43 SER H 1.0 0.0 4.44 129 123 A 43 SER H A 42 LEU HBy 1.0 0.0 5.15 130 124 A 43 SER H A 44 GLY H 1.0 0.0 4.21 131 125 A 44 GLY H A 45 PHE H 1.0 0.0 4.36 132 126 A 44 GLY H A 47 ALA HB% 1.0 0.0 5.07 133 127 A 45 PHE H A 45 PHE HD% 1.0 0.0 5.01 134 128 A 45 PHE H A 45 PHE HB3 1.0 0.0 3.89 135 129 A 45 PHE H A 45 PHE HB2 1.0 0.0 4.15 136 130 A 45 PHE H A 46 ALA H 1.0 0.0 4.22 137 131 A 45 PHE HD% A 46 ALA H 1.0 0.0 4.93 138 132 A 45 PHE HB3 A 46 ALA H 1.0 0.0 4.15 139 133 A 45 PHE HB2 A 46 ALA H 1.0 0.0 4.72 140 134 A 46 ALA H A 47 ALA H 1.0 0.0 4.14 141 135 A 48 LYS H A 49 TYR H 1.0 0.0 3.35 142 136 A 47 ALA H A 48 LYS H 1.0 0.0 3.73 143 137 A 47 ALA HB% A 48 LYS H 1.0 0.0 3.45 144 138 A 48 LYS H A 48 LYS HBy 1.0 0.0 3.65 145 139 A 48 LYS H A 48 LYS HBx 1.0 0.0 3.65 146 140 A 48 LYS H A 48 LYS HGy 1.0 0.0 4.88 147 141 A 48 LYS H A 48 LYS HGx 1.0 0.0 4.88 148 142 A 49 TYR H A 49 TYR HE% 1.0 0.0 4.82 149 143 A 49 TYR H A 49 TYR HBy 1.0 0.0 4.13 150 144 A 49 TYR H A 51 LYS HB2 1.0 0.0 5.16 151 144 A 49 TYR H A 51 LYS HB3 1.0 0.0 5.16 152 145 A 49 TYR H A 53 MET HE% 1.0 0.0 5.45 153 146 A 49 TYR H A 49 TYR HBx 1.0 0.0 4.13 154 147 A 49 TYR H A 48 LYS HBx 1.0 0.0 4.06 155 148 A 49 TYR H A 48 LYS HGy 1.0 0.0 5.23 156 149 A 46 ALA HA A 50 LEU H 1.0 0.0 4.26 157 150 A 53 MET HE% A 50 LEU H 1.0 0.0 3.70 158 151 A 50 LEU H A 51 LYS H 1.0 0.0 4.14 159 152 A 51 LYS H A 51 LYS HB2 1.0 0.0 3.41 160 152 A 51 LYS HB3 A 51 LYS H 1.0 0.0 3.41 161 153 A 51 LYS H A 52 LYS H 1.0 0.0 4.00 162 154 A 52 LYS H A 50 LEU HA 1.0 0.0 4.70 163 155 A 52 LYS H A 52 LYS HBy 1.0 0.0 3.86 164 156 A 52 LYS H A 51 LYS HB2 1.0 0.0 3.29 165 156 A 51 LYS HB3 A 52 LYS H 1.0 0.0 3.29 166 157 A 52 LYS H A 52 LYS HG2 1.0 0.0 3.63 167 157 A 52 LYS H A 52 LYS HG3 1.0 0.0 3.63 168 158 A 50 LEU HA A 53 MET H 1.0 0.0 4.49 169 159 A 53 MET H A 53 MET HGy 1.0 0.0 4.34 170 160 A 53 MET H A 53 MET HGx 1.0 0.0 4.34 171 161 A 53 MET H A 53 MET HBx 1.0 0.0 3.94 172 162 A 53 MET H A 52 LYS HG2 1.0 0.0 4.81 173 162 A 52 LYS HG3 A 53 MET H 1.0 0.0 4.81 174 163 A 53 MET H A 58 LEU HD2% 1.0 0.0 4.59 175 164 A 53 MET H A 54 ASN H 1.0 0.0 4.74 176 165 A 54 ASN H A 53 MET HA 1.0 0.0 3.25 177 166 A 54 ASN H A 53 MET HBy 1.0 0.0 4.50 178 167 A 54 ASN HD22 A 56 GLU HG2 1.0 0.0 5.00 179 167 A 54 ASN HD22 A 56 GLU HG3 1.0 0.0 5.00 180 168 A 54 ASN HA A 55 GLU H 1.0 0.0 3.45 181 169 A 55 GLU H A 54 ASN HBy 1.0 0.0 3.79 182 170 A 55 GLU H A 54 ASN HBx 1.0 0.0 3.79 183 171 A 55 GLU H A 55 GLU HGx 1.0 0.0 4.44 184 172 A 55 GLU H A 55 GLU HBy 1.0 0.0 3.78 185 173 A 55 GLU H A 56 GLU H 1.0 0.0 3.70 186 174 A 56 GLU H A 56 GLU HG2 1.0 0.0 3.46 187 174 A 56 GLU HG3 A 56 GLU H 1.0 0.0 3.46 188 175 A 54 ASN H A 57 GLU H 1.0 0.0 4.50 189 176 A 57 GLU H A 58 LEU H 1.0 0.0 3.59 190 177 A 57 GLU H A 57 GLU HGy 1.0 0.0 3.84 191 178 A 57 GLU H A 57 GLU HBy 1.0 0.0 4.17 192 179 A 57 GLU H A 57 GLU HGx 1.0 0.0 3.84 193 180 A 57 GLU H A 56 GLU HBy 1.0 0.0 4.16 194 181 A 57 GLU H A 57 GLU HBx 1.0 0.0 4.17 195 182 A 56 GLU H A 58 LEU H 1.0 0.0 4.45 196 183 A 58 LEU H A 55 GLU HA 1.0 0.0 4.52 197 184 A 58 LEU H A 57 GLU HBy 1.0 0.0 3.99 198 185 A 58 LEU H A 58 LEU HB2 1.0 0.0 3.55 199 186 A 58 LEU H A 58 LEU HG 1.0 0.0 3.57 200 187 A 58 LEU H A 58 LEU HB3 1.0 0.0 4.14 201 188 A 58 LEU HD2% A 58 LEU H 1.0 0.0 4.19 202 189 A 58 LEU HD1% A 58 LEU H 1.0 0.0 4.19 203 190 A 58 LEU H A 59 GLU H 1.0 0.0 3.54 204 191 A 80 PHE H A 81 LYS H 1.0 0.0 3.53 205 192 A 81 LYS H A 82 THR H 1.0 0.0 3.66 206 193 A 59 GLU H A 59 GLU HBy 1.0 0.0 3.57 207 194 A 59 GLU H A 59 GLU HBx 1.0 0.0 3.57 208 195 A 95 LEU H A 95 LEU HB3 1.0 0.0 3.66 209 196 A 81 LYS H A 81 LYS HBy 1.0 0.0 3.62 210 197 A 95 LEU H A 95 LEU HB2 1.0 0.0 3.63 211 198 A 81 LYS H A 81 LYS HG2 1.0 0.0 3.89 212 198 A 81 LYS H A 81 LYS HG3 1.0 0.0 3.89 213 199 A 94 LEU HD1% A 95 LEU H 1.0 0.0 5.08 214 200 A 61 TYR H A 61 TYR HB2 1.0 0.0 3.64 215 201 A 61 TYR H A 60 GLU HBy 1.0 0.0 4.45 216 202 A 61 TYR H A 60 GLU HBx 1.0 0.0 4.45 217 203 A 61 TYR H A 94 LEU HD2% 1.0 0.0 4.18 218 204 A 61 TYR H A 62 ASP H 1.0 0.0 3.71 219 205 A 62 ASP H A 63 SER H 1.0 0.0 3.82 220 206 A 62 ASP H A 61 TYR HD% 1.0 0.0 4.81 221 207 A 62 ASP H A 62 ASP HBy 1.0 0.0 3.41 222 208 A 62 ASP H A 62 ASP HBx 1.0 0.0 3.41 223 209 A 63 SER H A 64 LEU H 1.0 0.0 3.90 224 210 A 63 SER H A 63 SER HBy 1.0 0.0 4.04 225 211 A 63 SER H A 62 ASP HBy 1.0 0.0 4.27 226 212 A 63 SER H A 62 ASP HBx 1.0 0.0 4.27 227 213 A 64 LEU H A 63 SER HBy 1.0 0.0 4.88 228 214 A 64 LEU H A 62 ASP HA 1.0 0.0 4.95 229 215 A 64 LEU H A 64 LEU HB3 1.0 0.0 3.94 230 216 A 64 LEU H A 64 LEU HB2 1.0 0.0 3.85 231 217 A 64 LEU H A 64 LEU HG 1.0 0.0 4.44 232 218 A 64 LEU H A 65 LEU H 1.0 0.0 4.01 233 219 A 62 ASP HA A 65 LEU H 1.0 0.0 4.66 234 220 A 65 LEU H A 61 TYR HA 1.0 0.0 4.81 235 221 A 64 LEU HB3 A 65 LEU H 1.0 0.0 3.65 236 222 A 65 LEU H A 65 LEU HG 1.0 0.0 4.00 237 223 A 65 LEU H A 65 LEU HD1% 1.0 0.0 4.30 238 224 A 63 SER HA A 66 ASN HD21 1.0 0.0 4.39 239 225 A 65 LEU H A 66 ASN H 1.0 0.0 3.80 240 226 A 63 SER HA A 66 ASN H 1.0 0.0 4.43 241 227 A 66 ASN H A 66 ASN HB2 1.0 0.0 3.42 242 227 A 66 ASN HB3 A 66 ASN H 1.0 0.0 3.42 243 228 A 66 ASN H A 65 LEU HBy 1.0 0.0 4.84 244 229 A 66 ASN H A 65 LEU HBx 1.0 0.0 4.84 245 230 A 66 ASN H A 67 GLU H 1.0 0.0 3.58 246 231 A 67 GLU H A 67 GLU HGy 1.0 0.0 4.36 247 232 A 67 GLU H A 67 GLU HGx 1.0 0.0 4.36 248 233 A 67 GLU H A 67 GLU HB3 1.0 0.0 4.16 249 234 A 67 GLU H A 67 GLU HB2 1.0 0.0 3.98 250 235 A 67 GLU H A 72 ILE HD1% 1.0 0.0 4.45 251 236 A 67 GLU HB3 A 68 LEU H 1.0 0.0 4.31 252 237 A 68 LEU H A 68 LEU HG 1.0 0.0 3.99 253 238 A 68 LEU H A 68 LEU HB2 1.0 0.0 3.90 254 238 A 68 LEU H A 68 LEU HB3 1.0 0.0 3.90 255 239 A 68 LEU H A 68 LEU HD1% 1.0 0.0 4.54 256 240 A 69 ASP H A 70 TRP H 1.0 0.0 4.41 257 241 A 69 ASP H A 68 LEU HA 1.0 0.0 3.21 258 242 A 69 ASP H A 68 LEU HB2 1.0 0.0 4.18 259 242 A 68 LEU HB3 A 69 ASP H 1.0 0.0 4.18 260 243 A 35 ILE HG2% A 70 TRP HE1 1.0 0.0 4.10 261 244 A 70 TRP HE1 A 35 ILE HD1% 1.0 0.0 4.19 262 245 A 70 TRP H A 69 ASP HBy 1.0 0.0 5.08 263 246 A 70 TRP H A 69 ASP HBx 1.0 0.0 5.08 264 247 A 70 TRP H A 71 ASP H 1.0 0.0 4.24 265 248 A 71 ASP H A 72 ILE H 1.0 0.0 3.99 266 249 A 71 ASP H A 70 TRP HB2 1.0 0.0 4.70 267 250 A 71 ASP H A 68 LEU HB2 1.0 0.0 4.24 268 250 A 68 LEU HB3 A 71 ASP H 1.0 0.0 4.24 269 251 A 83 SER H A 83 SER HB2 1.0 0.0 4.16 270 252 A 83 SER H A 82 THR HB 1.0 0.0 4.13 271 253 A 72 ILE H A 71 ASP HBy 1.0 0.0 4.76 272 254 A 72 ILE H A 72 ILE HG1y 1.0 0.0 4.23 273 255 A 72 ILE H A 71 ASP HBx 1.0 0.0 4.76 274 256 A 83 SER H A 82 THR HG2% 1.0 0.0 4.41 275 257 A 72 ILE HD1% A 72 ILE H 1.0 0.0 4.17 276 258 A 72 ILE H A 72 ILE HG1x 1.0 0.0 4.23 277 259 A 72 ILE HB A 73 TYR H 1.0 0.0 4.51 278 260 A 72 ILE HD1% A 73 TYR H 1.0 0.0 5.50 279 261 A 73 TYR H A 74 TYR H 1.0 0.0 4.27 280 262 A 74 TYR H A 74 TYR HD% 1.0 0.0 4.73 281 263 A 74 TYR H A 74 TYR HB2 1.0 0.0 4.20 282 264 A 74 TYR H A 73 TYR HBx 1.0 0.0 4.71 283 265 A 75 TRP HE1 A 86 PRO HD3 1.0 0.0 4.50 284 266 A 75 TRP HE1 A 83 SER HB3 1.0 0.0 4.22 285 267 A 75 TRP HE1 A 85 LEU HA 1.0 0.0 4.26 286 268 A 75 TRP HE1 A 86 PRO HD2 1.0 0.0 5.07 287 269 A 75 TRP HE1 A 85 LEU HD1% 1.0 0.0 4.98 288 270 A 74 TYR H A 75 TRP H 1.0 0.0 4.15 289 271 A 75 TRP H A 76 ALA H 1.0 0.0 3.91 290 272 A 75 TRP H A 77 THR H 1.0 0.0 4.71 291 273 A 75 TRP H A 75 TRP HD1 1.0 0.0 4.52 292 274 A 75 TRP H A 74 TYR HB3 1.0 0.0 5.06 293 275 A 75 TRP H A 75 TRP HB2 1.0 0.0 4.05 294 276 A 74 TYR HB2 A 75 TRP H 1.0 0.0 4.41 295 277 A 76 ALA H A 77 THR H 1.0 0.0 3.87 296 278 A 76 ALA H A 75 TRP HB2 1.0 0.0 4.29 297 279 A 76 ALA H A 75 TRP HB3 1.0 0.0 4.68 298 280 A 76 ALA H A 76 ALA HB% 1.0 0.0 3.40 299 281 A 76 ALA H A 41 LEU HD2% 1.0 0.0 5.34 300 282 A 76 ALA H A 95 LEU HD1% 1.0 0.0 5.50 301 283 A 77 THR H A 74 TYR HA 1.0 0.0 4.91 302 284 A 77 THR H A 77 THR HG1 1.0 0.0 4.15 303 285 A 77 THR HG1 A 78 LYS H 1.0 0.0 4.86 304 286 A 78 LYS H A 78 LYS HG2 1.0 0.0 4.07 305 286 A 78 LYS H A 78 LYS HG3 1.0 0.0 4.07 306 287 A 80 PHE H A 79 ASN H 1.0 0.0 4.75 307 288 A 78 LYS H A 79 ASN H 1.0 0.0 3.68 308 289 A 74 TYR HA A 79 ASN H 1.0 0.0 5.50 309 290 A 79 ASN H A 77 THR HB 1.0 0.0 5.50 310 291 A 79 ASN H A 79 ASN HBy 1.0 0.0 4.00 311 292 A 79 ASN H A 79 ASN HBx 1.0 0.0 4.00 312 293 A 79 ASN H A 78 LYS HG2 1.0 0.0 4.99 313 293 A 78 LYS HG3 A 79 ASN H 1.0 0.0 4.99 314 294 A 59 GLU H A 59 GLU HGy 1.0 0.0 3.98 315 295 A 82 THR H A 82 THR HB 1.0 0.0 3.83 316 296 A 82 THR H A 81 LYS HBx 1.0 0.0 4.33 317 297 A 83 SER H A 80 PHE HA 1.0 0.0 4.47 318 298 A 80 PHE HD% A 85 LEU H 1.0 0.0 4.63 319 299 A 85 LEU H A 84 PRO HA 1.0 0.0 3.21 320 300 A 85 LEU H A 84 PRO HBx 1.0 0.0 4.38 321 301 A 85 LEU H A 85 LEU HBy 1.0 0.0 3.63 322 302 A 85 LEU H A 85 LEU HBx 1.0 0.0 3.63 323 303 A 85 LEU H A 85 LEU HD2% 1.0 0.0 4.64 324 304 A 85 LEU HD1% A 85 LEU H 1.0 0.0 4.70 325 305 A 87 ASP H A 88 LYS H 1.0 0.0 4.12 326 306 A 87 ASP H A 86 PRO HA 1.0 0.0 3.18 327 307 A 87 ASP H A 87 ASP HB2 1.0 0.0 3.26 328 307 A 87 ASP H A 87 ASP HB3 1.0 0.0 3.26 329 308 A 88 LYS H A 89 TRP H 1.0 0.0 3.97 330 309 A 88 LYS H A 87 ASP HB2 1.0 0.0 3.62 331 309 A 88 LYS H A 87 ASP HB3 1.0 0.0 3.62 332 310 A 88 LYS H A 86 PRO HB2 1.0 0.0 4.41 333 311 A 88 LYS H A 88 LYS HBy 1.0 0.0 3.72 334 312 A 88 LYS H A 88 LYS HBx 1.0 0.0 3.72 335 313 A 88 LYS H A 88 LYS HGy 1.0 0.0 4.59 336 314 A 88 LYS H A 88 LYS HGx 1.0 0.0 4.59 337 315 A 75 TRP HZ3 A 89 TRP HE1 1.0 0.0 4.69 338 316 A 89 TRP HE1 A 67 GLU HGx 1.0 0.0 4.90 339 317 A 89 TRP H A 89 TRP HBy 1.0 0.0 4.15 340 318 A 89 TRP H A 86 PRO HB3 1.0 0.0 5.17 341 319 A 89 TRP H A 87 ASP HB2 1.0 0.0 5.44 342 319 A 87 ASP HB3 A 89 TRP H 1.0 0.0 5.44 343 320 A 89 TRP H A 89 TRP HBx 1.0 0.0 4.15 344 321 A 89 TRP H A 86 PRO HB2 1.0 0.0 4.58 345 322 A 89 TRP H A 90 ALA HB% 1.0 0.0 4.09 346 323 A 89 TRP H A 90 ALA H 1.0 0.0 3.29 347 324 A 90 ALA H A 87 ASP HA 1.0 0.0 4.23 348 325 A 90 ALA HB% A 91 ASN HD21 1.0 0.0 4.45 349 326 A 90 ALA H A 91 ASN H 1.0 0.0 4.41 350 327 A 90 ALA HB% A 91 ASN H 1.0 0.0 4.11 351 328 A 90 ALA HB% A 91 ASN HD22 1.0 0.0 4.43 352 329 A 91 ASN H A 92 SER H 1.0 0.0 4.04 353 330 A 92 SER H A 92 SER HBy 1.0 0.0 3.83 354 331 A 92 SER H A 92 SER HBx 1.0 0.0 3.83 355 332 A 92 SER H A 90 ALA HA 1.0 0.0 4.96 356 333 A 95 LEU HB3 A 92 SER H 1.0 0.0 4.64 357 334 A 95 LEU HB2 A 92 SER H 1.0 0.0 4.97 358 335 A 93 LYS H A 94 LEU H 1.0 0.0 4.05 359 336 A 93 LYS H A 93 LYS HB2 1.0 0.0 3.72 360 336 A 93 LYS H A 93 LYS HB3 1.0 0.0 3.72 361 337 A 94 LEU H A 92 SER HA 1.0 0.0 4.67 362 338 A 94 LEU H A 93 LYS HB2 1.0 0.0 3.68 363 338 A 94 LEU H A 93 LYS HB3 1.0 0.0 3.68 364 339 A 94 LEU H A 94 LEU HBy 1.0 0.0 3.86 365 340 A 94 LEU H A 94 LEU HBx 1.0 0.0 3.86 366 341 A 94 LEU HD2% A 94 LEU H 1.0 0.0 4.92 367 342 A 95 LEU H A 96 LYS H 1.0 0.0 3.49 368 343 A 97 GLN HB2 A 96 LYS H 1.0 0.0 4.89 369 344 A 95 LEU HB3 A 96 LYS H 1.0 0.0 3.24 370 345 A 96 LYS H A 96 LYS HGy 1.0 0.0 4.16 371 346 A 97 GLN HB3 A 97 GLN HE21 1.0 0.0 4.94 372 347 A 98 LEU H A 97 GLN H 1.0 0.0 3.53 373 348 A 60 GLU H A 59 GLU H 1.0 0.0 3.33 374 349 A 96 LYS H A 97 GLN H 1.0 0.0 3.52 375 350 A 97 GLN H A 94 LEU HA 1.0 0.0 4.29 376 351 A 97 GLN HB2 A 97 GLN H 1.0 0.0 3.51 377 352 A 97 GLN H A 97 GLN HGx 1.0 0.0 3.93 378 353 A 97 GLN H A 96 LYS HB2 1.0 0.0 3.54 379 353 A 97 GLN H A 96 LYS HB3 1.0 0.0 3.54 380 354 A 98 LEU H A 98 LEU HBy 1.0 0.0 3.59 381 355 A 98 LEU H A 98 LEU HD2% 1.0 0.0 4.64 382 356 A 99 GLN H A 96 LYS HA 1.0 0.0 4.40 383 357 A 99 GLN H A 99 GLN HGy 1.0 0.0 4.40 384 358 A 99 GLN H A 100 GLU H 1.0 0.0 3.78 385 359 A 100 GLU H A 98 LEU HA 1.0 0.0 5.07 386 360 A 100 GLU H A 100 GLU HGy 1.0 0.0 4.09 387 361 A 100 GLU H A 100 GLU HB2 1.0 0.0 3.29 388 361 A 100 GLU H A 100 GLU HB3 1.0 0.0 3.29 389 362 A 100 GLU H A 99 GLN HB2 1.0 0.0 4.24 390 363 A 100 GLU H A 101 PHE H 1.0 0.0 3.59 391 364 A 101 PHE H A 101 PHE HD% 1.0 0.0 4.55 392 365 A 45 PHE HD% A 101 PHE H 1.0 0.0 4.67 393 366 A 98 LEU HA A 101 PHE H 1.0 0.0 4.10 394 367 A 101 PHE H A 101 PHE HB2 1.0 0.0 3.65 395 368 A 101 PHE H A 101 PHE HB3 1.0 0.0 3.63 396 369 A 101 PHE H A 100 GLU HB2 1.0 0.0 3.67 397 369 A 100 GLU HB3 A 101 PHE H 1.0 0.0 3.67 398 370 A 101 PHE H A 102 SER H 1.0 0.0 3.74 399 371 A 101 PHE HD% A 102 SER H 1.0 0.0 4.28 400 372 A 102 SER H A 99 GLN HA 1.0 0.0 4.87 401 373 A 102 SER H A 102 SER HBy 1.0 0.0 3.79 402 374 A 102 SER H A 102 SER HBx 1.0 0.0 3.79 403 375 A 101 PHE HB3 A 102 SER H 1.0 0.0 3.99 404 376 A 102 SER H A 103 GLU H 1.0 0.0 3.60 405 377 A 99 GLN HA A 103 GLU H 1.0 0.0 5.43 406 378 A 103 GLU H A 104 ASN HA 1.0 0.0 5.50 407 379 A 103 GLU H A 102 SER HBx 1.0 0.0 4.53 408 380 A 103 GLU H A 103 GLU HGy 1.0 0.0 4.11 409 381 A 103 GLU H A 103 GLU HB2 1.0 0.0 3.16 410 381 A 103 GLU H A 103 GLU HB3 1.0 0.0 3.16 411 382 A 104 ASN HD21 A 100 GLU HB2 1.0 0.0 5.29 412 382 A 100 GLU HB3 A 104 ASN HD21 1.0 0.0 5.29 413 383 A 104 ASN H A 104 ASN HD21 1.0 0.0 4.80 414 384 A 104 ASN H A 101 PHE HA 1.0 0.0 4.45 415 385 A 104 ASN H A 104 ASN HBx 1.0 0.0 3.83 416 386 A 104 ASN H A 103 GLU HGx 1.0 0.0 5.10 417 387 A 104 ASN H A 103 GLU HB2 1.0 0.0 3.64 418 387 A 104 ASN H A 103 GLU HB3 1.0 0.0 3.64 419 388 A 104 ASN HD22 A 103 GLU HB2 1.0 0.0 5.02 420 388 A 103 GLU HB3 A 104 ASN HD22 1.0 0.0 5.02 421 389 A 105 LYS H A 104 ASN HA 1.0 0.0 3.29 422 390 A 105 LYS H A 104 ASN HBy 1.0 0.0 4.46 423 391 A 105 LYS H A 104 ASN HBx 1.0 0.0 4.46 424 392 A 105 LYS H A 105 LYS HB2 1.0 0.0 3.13 425 392 A 105 LYS H A 105 LYS HB3 1.0 0.0 3.13 426 393 A 105 LYS H A 105 LYS HGx 1.0 0.0 4.03 427 394 A 106 GLU H A 107 LYS H 1.0 0.0 3.46 428 395 A 104 ASN HA A 106 GLU H 1.0 0.0 4.65 429 396 A 106 GLU H A 106 GLU HGx 1.0 0.0 4.67 430 397 A 106 GLU H A 106 GLU HB3 1.0 0.0 3.92 431 398 A 106 GLU H A 106 GLU HB2 1.0 0.0 3.26 432 399 A 106 GLU H A 105 LYS HB2 1.0 0.0 3.87 433 399 A 105 LYS HB3 A 106 GLU H 1.0 0.0 3.87 434 400 A 107 LYS H A 106 GLU HA 1.0 0.0 3.46 435 401 A 107 LYS H A 106 GLU HGx 1.0 0.0 5.50 436 402 A 107 LYS H A 106 GLU HGy 1.0 0.0 5.50 437 403 A 107 LYS H A 106 GLU HB3 1.0 0.0 4.51 438 404 A 107 LYS H A 107 LYS HBx 1.0 0.0 3.75 439 405 A 107 LYS H A 107 LYS HG2 1.0 0.0 3.85 440 405 A 107 LYS H A 107 LYS HG3 1.0 0.0 3.85 441 406 A 107 LYS H A 108 GLU H 1.0 0.0 3.80 442 407 A 108 GLU H A 109 ILE H 1.0 0.0 4.50 443 408 A 108 GLU H A 107 LYS HA 1.0 0.0 3.17 444 409 A 108 GLU H A 108 GLU HGy 1.0 0.0 4.45 445 410 A 108 GLU H A 108 GLU HBx 1.0 0.0 3.89 446 411 A 108 GLU H A 107 LYS HG2 1.0 0.0 4.52 447 411 A 107 LYS HG3 A 108 GLU H 1.0 0.0 4.52 448 412 A 109 ILE H A 108 GLU HA 1.0 0.0 2.92 449 413 A 109 ILE H A 108 GLU HBy 1.0 0.0 4.58 450 414 A 109 ILE H A 108 GLU HBx 1.0 0.0 4.58 451 415 A 109 ILE H A 109 ILE HG1y 1.0 0.0 4.32 452 416 A 109 ILE H A 109 ILE HG1x 1.0 0.0 4.32 453 417 A 109 ILE H A 109 ILE HG2% 1.0 0.0 4.53 454 418 A 13 LYS H A 13 LYS HBx 1.0 0.0 3.76 455 419 A 27 ILE H A 27 ILE HG13 1.0 0.0 3.60 456 420 A 27 ILE H A 26 LEU HB2 1.0 0.0 4.14 457 421 A 15 THR H A 14 ARG HBx 1.0 0.0 5.30 458 422 A 15 THR H A 14 ARG HBy 1.0 0.0 5.30 459 423 A 18 PRO HB3 A 20 ASP H 1.0 0.0 4.65 460 424 A 20 ASP H A 22 LYS H 1.0 0.0 4.57 461 425 A 21 LYS H A 21 LYS HD2 1.0 0.0 4.52 462 425 A 21 LYS H A 21 LYS HD3 1.0 0.0 4.52 463 426 A 21 LYS H A 18 PRO HG2 1.0 0.0 4.16 464 426 A 21 LYS H A 18 PRO HG3 1.0 0.0 4.16 465 427 A 22 LYS H A 21 LYS HBy 1.0 0.0 4.05 466 428 A 23 ARG H A 23 ARG HBx 1.0 0.0 3.62 467 429 A 24 ALA H A 21 LYS HA 1.0 0.0 4.39 468 430 A 26 LEU H A 25 ARG HBx 1.0 0.0 4.19 469 431 A 26 LEU H A 25 ARG HBy 1.0 0.0 4.19 470 432 A 29 GLN H A 29 GLN HBy 1.0 0.0 4.15 471 433 A 34 GLY H A 33 ARG HBx 1.0 0.0 5.21 472 434 A 41 LEU H A 40 LEU HBy 1.0 0.0 4.37 473 435 A 43 SER H A 42 LEU HD1% 1.0 0.0 5.50 474 436 A 43 SER H A 42 LEU HD2% 1.0 0.0 5.50 475 437 A 43 SER H A 42 LEU HBx 1.0 0.0 5.15 476 438 A 44 GLY H A 101 PHE HZ 1.0 0.0 5.07 477 439 A 48 LYS H A 45 PHE HA 1.0 0.0 5.14 478 440 A 48 LYS H A 49 TYR HD% 1.0 0.0 5.01 479 441 A 50 LEU HD1% A 49 TYR H 1.0 0.0 5.16 480 442 A 49 TYR H A 48 LYS HBy 1.0 0.0 4.06 481 443 A 49 TYR H A 47 ALA HA 1.0 0.0 5.36 482 444 A 49 TYR H A 50 LEU HA 1.0 0.0 5.50 483 445 A 47 ALA H A 49 TYR H 1.0 0.0 4.87 484 446 A 52 LYS H A 49 TYR HA 1.0 0.0 4.88 485 447 A 53 MET H A 53 MET HBy 1.0 0.0 3.94 486 448 A 53 MET H A 51 LYS HA 1.0 0.0 5.15 487 449 A 54 ASN H A 53 MET HBx 1.0 0.0 4.50 488 450 A 56 GLU H A 57 GLU H 1.0 0.0 3.23 489 451 A 58 LEU H A 57 GLU HBx 1.0 0.0 3.99 490 452 A 58 LEU HB3 A 59 GLU H 1.0 0.0 4.82 491 453 A 58 LEU HD1% A 59 GLU H 1.0 0.0 4.98 492 454 A 59 GLU H A 59 GLU HGx 1.0 0.0 3.98 493 455 A 59 GLU H A 56 GLU HA 1.0 0.0 4.24 494 456 A 55 GLU HA A 59 GLU H 1.0 0.0 5.30 495 457 A 57 GLU H A 59 GLU H 1.0 0.0 4.53 496 458 A 60 GLU H A 94 LEU HD2% 1.0 0.0 5.05 497 459 A 60 GLU H A 58 LEU HA 1.0 0.0 4.47 498 460 A 61 TYR H A 61 TYR HB3 1.0 0.0 3.84 499 461 A 64 LEU H A 61 TYR HA 1.0 0.0 4.65 500 462 A 64 LEU HG A 65 LEU H 1.0 0.0 4.88 501 463 A 67 GLU H A 66 ASN HB2 1.0 0.0 4.38 502 463 A 66 ASN HB3 A 67 GLU H 1.0 0.0 4.38 503 464 A 68 LEU H A 71 ASP H 1.0 0.0 5.20 504 465 A 68 LEU H A 69 ASP H 1.0 0.0 5.09 505 466 A 71 ASP H A 68 LEU HD2% 1.0 0.0 5.24 506 467 A 72 ILE H A 72 ILE HB 1.0 0.0 4.18 507 468 A 72 ILE H A 68 LEU HB2 1.0 0.0 5.00 508 468 A 68 LEU HB3 A 72 ILE H 1.0 0.0 5.00 509 469 A 81 LYS H A 83 SER H 1.0 0.0 4.79 510 470 A 74 TYR H A 73 TYR HBy 1.0 0.0 4.71 511 471 A 75 TRP H A 95 LEU HD1% 1.0 0.0 5.16 512 472 A 75 TRP H A 76 ALA HB% 1.0 0.0 5.15 513 473 A 75 TRP H A 71 ASP HA 1.0 0.0 5.18 514 474 A 73 TYR H A 75 TRP H 1.0 0.0 5.11 515 475 A 83 SER H A 84 PRO HDx 1.0 0.0 5.13 516 476 A 85 LEU H A 85 LEU HG 1.0 0.0 4.48 517 477 A 85 LEU H A 80 PHE HE% 1.0 0.0 4.80 518 478 A 89 TRP H A 87 ASP HA 1.0 0.0 5.11 519 479 A 89 TRP HE1 A 86 PRO HG2 1.0 0.0 5.10 520 479 A 89 TRP HE1 A 86 PRO HG3 1.0 0.0 5.10 521 480 A 89 TRP HE1 A 67 GLU HGy 1.0 0.0 4.90 522 481 A 90 ALA H A 87 ASP HB2 1.0 0.0 5.07 523 481 A 87 ASP HB3 A 90 ALA H 1.0 0.0 5.07 524 482 A 94 LEU H A 89 TRP HZ3 1.0 0.0 5.03 525 483 A 94 LEU H A 96 LYS H 1.0 0.0 5.10 526 484 A 95 LEU HD1% A 96 LYS H 1.0 0.0 5.50 527 485 A 96 LYS H A 96 LYS HGx 1.0 0.0 4.16 528 486 A 96 LYS H A 96 LYS HD2 1.0 0.0 4.25 529 486 A 96 LYS H A 96 LYS HD3 1.0 0.0 4.25 530 487 A 96 LYS H A 93 LYS HA 1.0 0.0 4.10 531 488 A 97 GLN HB3 A 97 GLN H 1.0 0.0 3.72 532 489 A 97 GLN H A 97 GLN HGy 1.0 0.0 3.93 533 490 A 99 GLN H A 97 GLN H 1.0 0.0 4.79 534 491 A 97 GLN HE21 A 93 LYS HD2 1.0 0.0 5.04 535 491 A 97 GLN HE21 A 93 LYS HD3 1.0 0.0 5.04 536 492 A 98 LEU H A 97 GLN HB3 1.0 0.0 4.15 537 493 A 99 GLN H A 98 LEU HD2% 1.0 0.0 5.07 538 494 A 99 GLN H A 98 LEU HBx 1.0 0.0 4.68 539 495 A 99 GLN H A 98 LEU HBy 1.0 0.0 4.68 540 496 A 99 GLN H A 99 GLN HB2 1.0 0.0 4.16 541 497 A 99 GLN HB3 A 100 GLU H 1.0 0.0 4.09 542 498 A 100 GLU H A 97 GLN HA 1.0 0.0 4.28 543 499 A 101 PHE HB2 A 102 SER H 1.0 0.0 4.43 544 500 A 45 PHE HD% A 102 SER H 1.0 0.0 5.22 545 501 A 104 ASN H A 104 ASN HBy 1.0 0.0 3.83 546 502 A 105 LYS H A 105 LYS HGy 1.0 0.0 4.03 547 503 A 107 LYS H A 105 LYS HB2 1.0 0.0 5.49 548 503 A 105 LYS HB3 A 107 LYS H 1.0 0.0 5.49 549 504 A 108 GLU H A 107 LYS HBx 1.0 0.0 4.89 550 505 A 98 LEU H A 94 LEU HG 1.0 0.0 5.50 551 506 A 22 LYS H A 24 ALA H 1.0 0.0 5.08 552 507 A 23 ARG H A 21 LYS HA 1.0 0.0 5.14 553 508 A 24 ALA H A 20 ASP HA 1.0 0.0 4.96 554 509 A 29 GLN H A 26 LEU HA 1.0 0.0 4.76 555 510 A 65 LEU HD1% A 29 GLN HE21 1.0 0.0 5.14 556 511 A 30 SER H A 27 ILE HA 1.0 0.0 4.93 557 512 A 45 PHE H A 47 ALA H 1.0 0.0 5.42 558 513 A 45 PHE H A 101 PHE HD% 1.0 0.0 5.50 559 514 A 54 ASN H A 58 LEU H 1.0 0.0 4.85 560 515 A 81 LYS H A 81 LYS HBx 1.0 0.0 3.62 561 516 A 97 GLN H A 95 LEU HA 1.0 0.0 5.03 562 517 A 97 GLN H A 45 PHE HE% 1.0 0.0 5.08 563 518 A 97 GLN H A 45 PHE HZ 1.0 0.0 5.50 564 519 A 49 TYR HE% A 97 GLN H 1.0 0.0 5.50 565 520 A 98 LEU H A 99 GLN H 1.0 0.0 3.97 566 521 A 101 PHE H A 103 GLU H 1.0 0.0 4.86 567 522 A 104 ASN H A 103 GLU HGy 1.0 0.0 5.10 568 523 A 107 LYS H A 106 GLU HB2 1.0 0.0 4.26 569 524 A 30 SER H A 29 GLN HBx 1.0 0.0 4.93 570 525 A 52 LYS HA A 52 LYS HG2 1.0 0.0 3.52 571 525 A 52 LYS HG3 A 52 LYS HA 1.0 0.0 3.52 572 526 A 96 LYS H A 96 LYS HB2 1.0 0.0 3.42 573 526 A 96 LYS H A 96 LYS HB3 1.0 0.0 3.42 574 527 A 11 MET HA A 11 MET HE% 1.0 0.0 4.67 575 528 A 13 LYS H A 12 ILE HB 1.0 0.0 4.87 576 529 A 12 ILE HD1% A 12 ILE HA 1.0 0.0 4.20 577 530 A 12 ILE HB A 12 ILE HD1% 1.0 0.0 3.75 578 531 A 27 ILE H A 27 ILE HG2% 1.0 0.0 3.96 579 532 A 12 ILE H A 12 ILE HG2% 1.0 0.0 4.38 580 533 A 12 ILE HA A 12 ILE HG2% 1.0 0.0 3.56 581 534 A 27 ILE HG2% A 27 ILE HA 1.0 0.0 3.52 582 535 A 27 ILE HG2% A 46 ALA HB% 1.0 0.0 3.85 583 536 A 94 LEU HD2% A 61 TYR HA 1.0 0.0 3.55 584 537 A 52 LYS HE3 A 52 LYS HG2 1.0 0.0 4.04 585 537 A 52 LYS HE2 A 52 LYS HG2 1.0 0.0 4.04 586 537 A 52 LYS HG3 A 52 LYS HE2 1.0 0.0 4.04 587 537 A 52 LYS HG3 A 52 LYS HE3 1.0 0.0 4.04 588 538 A 81 LYS HA A 81 LYS HE2 1.0 0.0 5.50 589 538 A 81 LYS HA A 81 LYS HE3 1.0 0.0 5.50 590 539 A 105 LYS HA A 105 LYS HE2 1.0 0.0 5.50 591 539 A 105 LYS HA A 105 LYS HE3 1.0 0.0 5.50 592 540 A 51 LYS HA A 51 LYS HE2 1.0 0.0 4.71 593 540 A 51 LYS HA A 51 LYS HE3 1.0 0.0 4.71 594 541 A 102 SER HA A 105 LYS HE2 1.0 0.0 5.13 595 541 A 105 LYS HE3 A 102 SER HA 1.0 0.0 5.13 596 542 A 81 LYS HE2 A 81 LYS HG2 1.0 0.0 3.55 597 542 A 81 LYS HE3 A 81 LYS HG2 1.0 0.0 3.55 598 542 A 81 LYS HG3 A 81 LYS HE2 1.0 0.0 3.55 599 542 A 81 LYS HG3 A 81 LYS HE3 1.0 0.0 3.55 600 543 A 107 LYS HE2 A 107 LYS HG2 1.0 0.0 3.59 601 543 A 107 LYS HE3 A 107 LYS HG2 1.0 0.0 3.59 602 543 A 107 LYS HG3 A 107 LYS HE2 1.0 0.0 3.59 603 543 A 107 LYS HG3 A 107 LYS HE3 1.0 0.0 3.59 604 544 A 52 LYS H A 52 LYS HBx 1.0 0.0 3.86 605 545 A 50 LEU H A 50 LEU HG 1.0 0.0 4.27 606 546 A 13 LYS HA A 13 LYS HD2 1.0 0.0 4.37 607 546 A 13 LYS HA A 13 LYS HD3 1.0 0.0 4.37 608 547 A 21 LYS HD3 A 18 PRO HDy 1.0 0.0 4.44 609 547 A 18 PRO HDy A 21 LYS HD2 1.0 0.0 4.44 610 548 A 50 LEU HG A 23 ARG HA 1.0 0.0 4.69 611 549 A 58 LEU HD2% A 50 LEU HG 1.0 0.0 4.03 612 550 A 14 ARG HA A 14 ARG HGy 1.0 0.0 4.25 613 551 A 31 ARG H A 31 ARG HG2 1.0 0.0 4.12 614 551 A 31 ARG H A 31 ARG HG3 1.0 0.0 4.12 615 552 A 14 ARG HA A 14 ARG HD2 1.0 0.0 4.33 616 552 A 14 ARG HA A 14 ARG HD3 1.0 0.0 4.33 617 553 A 27 ILE HG2% A 31 ARG HD2 1.0 0.0 3.98 618 553 A 27 ILE HG2% A 31 ARG HD3 1.0 0.0 3.98 619 554 A 15 THR H A 15 THR HG2% 1.0 0.0 4.56 620 555 A 15 THR HG2% A 15 THR HA 1.0 0.0 3.42 621 556 A 17 GLU H A 16 ASN HBy 1.0 0.0 4.88 622 557 A 17 GLU H A 16 ASN HBx 1.0 0.0 4.88 623 558 A 17 GLU HA A 18 PRO HDy 1.0 0.0 3.61 624 559 A 17 GLU HA A 18 PRO HDx 1.0 0.0 3.61 625 560 A 18 PRO HB3 A 21 LYS H 1.0 0.0 4.60 626 561 A 18 PRO HG2 A 21 LYS HD2 1.0 0.0 4.21 627 561 A 18 PRO HG3 A 21 LYS HD2 1.0 0.0 4.21 628 561 A 21 LYS HD3 A 18 PRO HG2 1.0 0.0 4.21 629 561 A 21 LYS HD3 A 18 PRO HG3 1.0 0.0 4.21 630 562 A 40 LEU HA A 40 LEU HG 1.0 0.0 3.96 631 563 A 19 LEU HD1% A 55 GLU H 1.0 0.0 4.19 632 564 A 19 LEU H A 19 LEU HD1% 1.0 0.0 4.49 633 565 A 19 LEU HD1% A 23 ARG H 1.0 0.0 4.96 634 566 A 19 LEU HD1% A 22 LYS H 1.0 0.0 4.85 635 567 A 19 LEU HD1% A 19 LEU HA 1.0 0.0 3.44 636 568 A 19 LEU HD1% A 55 GLU HA 1.0 0.0 3.75 637 569 A 19 LEU HD1% A 55 GLU HGy 1.0 0.0 4.26 638 570 A 19 LEU HD1% A 55 GLU HGx 1.0 0.0 4.26 639 571 A 19 LEU HD2% A 23 ARG H 1.0 0.0 5.23 640 572 A 19 LEU HD2% A 19 LEU HA 1.0 0.0 3.66 641 573 A 19 LEU HD2% A 55 GLU HA 1.0 0.0 4.40 642 574 A 19 LEU HD2% A 55 GLU HGx 1.0 0.0 4.58 643 575 A 58 LEU HD2% A 58 LEU HB2 1.0 0.0 3.60 644 576 A 19 LEU H A 19 LEU HG 1.0 0.0 4.45 645 577 A 97 GLN HB2 A 94 LEU HA 1.0 0.0 4.35 646 578 A 93 LYS HA A 96 LYS HB2 1.0 0.0 3.68 647 578 A 96 LYS HB3 A 93 LYS HA 1.0 0.0 3.68 648 579 A 21 LYS HA A 21 LYS HD2 1.0 0.0 4.05 649 579 A 21 LYS HD3 A 21 LYS HA 1.0 0.0 4.05 650 580 A 21 LYS HA A 21 LYS HGx 1.0 0.0 4.10 651 581 A 96 LYS HA A 96 LYS HGx 1.0 0.0 4.18 652 582 A 93 LYS HB3 A 93 LYS HE2 1.0 0.0 4.15 653 582 A 93 LYS HB2 A 93 LYS HE2 1.0 0.0 4.15 654 582 A 93 LYS HE3 A 93 LYS HB2 1.0 0.0 4.15 655 582 A 93 LYS HB3 A 93 LYS HE3 1.0 0.0 4.15 656 583 A 96 LYS HB3 A 96 LYS HE2 1.0 0.0 4.45 657 583 A 96 LYS HB2 A 96 LYS HE2 1.0 0.0 4.45 658 583 A 96 LYS HE3 A 96 LYS HB2 1.0 0.0 4.45 659 583 A 96 LYS HB3 A 96 LYS HE3 1.0 0.0 4.45 660 584 A 21 LYS HE3 A 21 LYS HGx 1.0 0.0 4.15 661 584 A 21 LYS HGx A 21 LYS HE2 1.0 0.0 4.15 662 585 A 21 LYS HA A 21 LYS HGy 1.0 0.0 4.10 663 586 A 21 LYS HE3 A 21 LYS HGy 1.0 0.0 4.15 664 586 A 21 LYS HE2 A 21 LYS HGy 1.0 0.0 4.15 665 587 A 21 LYS HD3 A 18 PRO HDx 1.0 0.0 4.44 666 587 A 18 PRO HDx A 21 LYS HD2 1.0 0.0 4.44 667 588 A 81 LYS HD2 A 81 LYS HG2 1.0 0.0 2.68 668 588 A 81 LYS HD3 A 81 LYS HG2 1.0 0.0 2.68 669 588 A 81 LYS HG3 A 81 LYS HD2 1.0 0.0 2.68 670 588 A 81 LYS HG3 A 81 LYS HD3 1.0 0.0 2.68 671 589 A 107 LYS HD3 A 107 LYS HG2 1.0 0.0 2.69 672 589 A 107 LYS HD2 A 107 LYS HG2 1.0 0.0 2.69 673 589 A 107 LYS HG3 A 107 LYS HD2 1.0 0.0 2.69 674 589 A 107 LYS HG3 A 107 LYS HD3 1.0 0.0 2.69 675 590 A 22 LYS HA A 25 ARG HBy 1.0 0.0 4.81 676 591 A 22 LYS HA A 22 LYS HGy 1.0 0.0 4.08 677 592 A 22 LYS HA A 22 LYS HGx 1.0 0.0 4.08 678 593 A 48 LYS HE3 A 48 LYS HGy 1.0 0.0 3.52 679 593 A 48 LYS HE2 A 48 LYS HGy 1.0 0.0 3.52 680 594 A 19 LEU HD1% A 22 LYS HEy 1.0 0.0 5.50 681 595 A 105 LYS HA A 105 LYS HD2 1.0 0.0 4.15 682 595 A 105 LYS HA A 105 LYS HD3 1.0 0.0 4.15 683 596 A 105 LYS HB2 A 105 LYS HE2 1.0 0.0 3.79 684 596 A 105 LYS HB3 A 105 LYS HE2 1.0 0.0 3.79 685 596 A 105 LYS HE3 A 105 LYS HB2 1.0 0.0 3.79 686 596 A 105 LYS HB3 A 105 LYS HE3 1.0 0.0 3.79 687 597 A 93 LYS HA A 93 LYS HD2 1.0 0.0 4.28 688 597 A 93 LYS HA A 93 LYS HD3 1.0 0.0 4.28 689 598 A 93 LYS HA A 96 LYS HD2 1.0 0.0 4.84 690 598 A 96 LYS HD3 A 93 LYS HA 1.0 0.0 4.84 691 599 A 22 LYS HA A 25 ARG HBx 1.0 0.0 4.81 692 600 A 93 LYS HB2 A 93 LYS HD2 1.0 0.0 3.22 693 600 A 93 LYS HD3 A 93 LYS HB2 1.0 0.0 3.22 694 600 A 93 LYS HB3 A 93 LYS HD3 1.0 0.0 3.22 695 600 A 93 LYS HB3 A 93 LYS HD2 1.0 0.0 3.22 696 601 A 96 LYS HB2 A 96 LYS HD2 1.0 0.0 3.49 697 601 A 96 LYS HB3 A 96 LYS HD2 1.0 0.0 3.49 698 601 A 96 LYS HD3 A 96 LYS HB2 1.0 0.0 3.49 699 601 A 96 LYS HB3 A 96 LYS HD3 1.0 0.0 3.49 700 602 A 26 LEU H A 23 ARG HA 1.0 0.0 4.95 701 603 A 26 LEU HD1% A 23 ARG HA 1.0 0.0 4.55 702 604 A 58 LEU HD1% A 23 ARG HA 1.0 0.0 4.50 703 605 A 32 LYS HA A 32 LYS HD2 1.0 0.0 3.78 704 605 A 32 LYS HA A 32 LYS HD3 1.0 0.0 3.78 705 606 A 58 LEU HD1% A 23 ARG HGx 1.0 0.0 5.14 706 607 A 23 ARG H A 23 ARG HGy 1.0 0.0 4.61 707 608 A 58 LEU HD1% A 23 ARG HGy 1.0 0.0 5.14 708 609 A 24 ALA H A 24 ALA HB% 1.0 0.0 2.94 709 610 A 47 ALA HB% A 47 ALA H 1.0 0.0 3.19 710 611 A 24 ALA HB% A 23 ARG HA 1.0 0.0 5.50 711 612 A 47 ALA HB% A 46 ALA HA 1.0 0.0 5.50 712 613 A 24 ALA HA A 27 ILE HB 1.0 0.0 3.88 713 614 A 24 ALA HA A 27 ILE HG2% 1.0 0.0 4.54 714 615 A 25 ARG HA A 25 ARG HG2 1.0 0.0 4.18 715 615 A 25 ARG HA A 25 ARG HG3 1.0 0.0 4.18 716 616 A 26 LEU HD1% A 62 ASP H 1.0 0.0 4.46 717 617 A 26 LEU HD1% A 26 LEU H 1.0 0.0 4.31 718 618 A 26 LEU HD1% A 58 LEU HA 1.0 0.0 4.17 719 619 A 26 LEU HD1% A 61 TYR HB2 1.0 0.0 4.86 720 620 A 26 LEU HD1% A 26 LEU HB2 1.0 0.0 3.71 721 621 A 26 LEU HD1% A 22 LYS HGy 1.0 0.0 3.97 722 622 A 26 LEU HB3 A 26 LEU HD1% 1.0 0.0 4.21 723 623 A 26 LEU HD1% A 22 LYS HGx 1.0 0.0 3.97 724 624 A 95 LEU HB3 A 92 SER HBy 1.0 0.0 4.61 725 625 A 95 LEU HB3 A 92 SER HBx 1.0 0.0 4.61 726 626 A 62 ASP H A 26 LEU HD2% 1.0 0.0 4.24 727 627 A 26 LEU H A 26 LEU HD2% 1.0 0.0 4.14 728 628 A 62 ASP HA A 26 LEU HD2% 1.0 0.0 3.44 729 629 A 26 LEU HA A 26 LEU HD2% 1.0 0.0 3.31 730 630 A 26 LEU HD2% A 62 ASP HBy 1.0 0.0 4.27 731 631 A 26 LEU HD2% A 62 ASP HBx 1.0 0.0 4.27 732 632 A 26 LEU HB3 A 26 LEU HD2% 1.0 0.0 3.55 733 633 A 65 LEU HG A 26 LEU HD2% 1.0 0.0 5.50 734 634 A 37 GLU H A 36 LEU HB2 1.0 0.0 4.84 735 634 A 36 LEU HB3 A 37 GLU H 1.0 0.0 4.84 736 635 A 40 LEU HD1% A 40 LEU HBx 1.0 0.0 4.13 737 636 A 27 ILE HB A 50 LEU HD1% 1.0 0.0 5.50 738 637 A 27 ILE HB A 50 LEU HD2% 1.0 0.0 5.50 739 638 A 27 ILE HG13 A 27 ILE HA 1.0 0.0 4.22 740 639 A 27 ILE HG12 A 27 ILE HA 1.0 0.0 4.10 741 640 A 27 ILE H A 27 ILE HD1% 1.0 0.0 4.01 742 641 A 27 ILE HD1% A 28 TYR H 1.0 0.0 4.89 743 642 A 27 ILE HD1% A 47 ALA H 1.0 0.0 5.42 744 643 A 24 ALA HA A 27 ILE HD1% 1.0 0.0 3.61 745 644 A 27 ILE HD1% A 23 ARG HA 1.0 0.0 4.57 746 645 A 27 ILE HD1% A 27 ILE HA 1.0 0.0 4.16 747 646 A 27 ILE HD1% A 51 LYS HE2 1.0 0.0 4.83 748 646 A 27 ILE HD1% A 51 LYS HE3 1.0 0.0 4.83 749 647 A 27 ILE HD1% A 46 ALA HB% 1.0 0.0 3.84 750 648 A 27 ILE HG2% A 43 SER HA 1.0 0.0 4.94 751 649 A 50 LEU HD1% A 27 ILE HG2% 1.0 0.0 4.59 752 650 A 50 LEU HD2% A 27 ILE HG2% 1.0 0.0 4.91 753 651 A 27 ILE HG13 A 23 ARG HA 1.0 0.0 4.91 754 652 A 27 ILE HG2% A 28 TYR HA 1.0 0.0 4.49 755 653 A 45 PHE HD% A 98 LEU HA 1.0 0.0 4.59 756 654 A 98 LEU HA A 45 PHE HE% 1.0 0.0 4.40 757 655 A 29 GLN H A 29 GLN HGx 1.0 0.0 4.25 758 656 A 63 SER H A 63 SER HBx 1.0 0.0 4.04 759 657 A 31 ARG HA A 31 ARG HG2 1.0 0.0 3.70 760 657 A 31 ARG HG3 A 31 ARG HA 1.0 0.0 3.70 761 658 A 28 TYR HA A 31 ARG HG2 1.0 0.0 4.42 762 658 A 28 TYR HA A 31 ARG HG3 1.0 0.0 4.42 763 659 A 32 LYS H A 32 LYS HG2 1.0 0.0 4.34 764 659 A 32 LYS H A 32 LYS HG3 1.0 0.0 4.34 765 660 A 32 LYS HA A 32 LYS HG2 1.0 0.0 4.11 766 660 A 32 LYS HA A 32 LYS HG3 1.0 0.0 4.11 767 661 A 38 THR HG2% A 69 ASP HA 1.0 0.0 3.95 768 662 A 38 THR HG2% A 38 THR HA 1.0 0.0 3.67 769 663 A 32 LYS HG3 A 32 LYS HEx 1.0 0.0 4.04 770 663 A 32 LYS HEx A 32 LYS HG2 1.0 0.0 4.04 771 664 A 49 TYR HE% A 48 LYS HE2 1.0 0.0 4.49 772 664 A 49 TYR HE% A 48 LYS HE3 1.0 0.0 4.49 773 665 A 32 LYS HG3 A 32 LYS HEy 1.0 0.0 4.04 774 665 A 32 LYS HEy A 32 LYS HG2 1.0 0.0 4.04 775 666 A 48 LYS HE3 A 48 LYS HGx 1.0 0.0 3.52 776 666 A 48 LYS HGx A 48 LYS HE2 1.0 0.0 3.52 777 667 A 29 GLN HA A 32 LYS HD2 1.0 0.0 4.72 778 667 A 32 LYS HD3 A 29 GLN HA 1.0 0.0 4.72 779 668 A 29 GLN HA A 32 LYS HB2 1.0 0.0 4.63 780 669 A 33 ARG HA A 33 ARG HE 1.0 0.0 4.16 781 670 A 33 ARG HA A 33 ARG HD2 1.0 0.0 4.30 782 670 A 33 ARG HA A 33 ARG HD3 1.0 0.0 4.30 783 671 A 35 ILE HD1% A 35 ILE HA 1.0 0.0 4.42 784 672 A 35 ILE HD1% A 69 ASP HBy 1.0 0.0 4.97 785 673 A 35 ILE HD1% A 69 ASP HBx 1.0 0.0 4.97 786 674 A 37 GLU H A 35 ILE HG2% 1.0 0.0 4.38 787 675 A 36 LEU H A 35 ILE HG2% 1.0 0.0 4.44 788 676 A 35 ILE H A 35 ILE HG2% 1.0 0.0 4.73 789 677 A 38 THR H A 35 ILE HG2% 1.0 0.0 4.57 790 678 A 35 ILE HG2% A 35 ILE HA 1.0 0.0 3.88 791 679 A 35 ILE HG2% A 35 ILE HG1y 1.0 0.0 4.07 792 680 A 35 ILE HG2% A 37 GLU HB2 1.0 0.0 4.49 793 680 A 37 GLU HB3 A 35 ILE HG2% 1.0 0.0 4.49 794 681 A 35 ILE HG2% A 35 ILE HG1x 1.0 0.0 4.07 795 682 A 35 ILE HG2% A 35 ILE HD1% 1.0 0.0 3.56 796 683 A 36 LEU H A 36 LEU HD1% 1.0 0.0 4.60 797 684 A 58 LEU HD2% A 58 LEU HA 1.0 0.0 3.45 798 685 A 95 LEU HD1% A 95 LEU HA 1.0 0.0 3.17 799 686 A 36 LEU HD1% A 39 ASP HBy 1.0 0.0 4.78 800 687 A 36 LEU HD1% A 36 LEU HB2 1.0 0.0 3.29 801 687 A 36 LEU HB3 A 36 LEU HD1% 1.0 0.0 3.29 802 688 A 95 LEU HD1% A 98 LEU HD2% 1.0 0.0 3.55 803 689 A 36 LEU H A 36 LEU HD2% 1.0 0.0 4.72 804 690 A 36 LEU HA A 36 LEU HD2% 1.0 0.0 4.13 805 691 A 36 LEU HD2% A 36 LEU HB2 1.0 0.0 3.18 806 691 A 36 LEU HB3 A 36 LEU HD2% 1.0 0.0 3.18 807 692 A 36 LEU H A 36 LEU HG 1.0 0.0 4.54 808 693 A 41 LEU H A 38 THR HA 1.0 0.0 4.71 809 694 A 38 THR HA A 41 LEU HB2 1.0 0.0 4.01 810 694 A 41 LEU HB3 A 38 THR HA 1.0 0.0 4.01 811 695 A 38 THR HG2% A 73 TYR H 1.0 0.0 4.49 812 696 A 38 THR HG2% A 42 LEU HD1% 1.0 0.0 3.49 813 697 A 53 MET HA A 53 MET HGx 1.0 0.0 4.19 814 698 A 40 LEU H A 39 ASP HBy 1.0 0.0 4.85 815 699 A 36 LEU HA A 39 ASP HBy 1.0 0.0 4.54 816 700 A 40 LEU H A 39 ASP HBx 1.0 0.0 4.85 817 701 A 36 LEU HA A 39 ASP HBx 1.0 0.0 4.54 818 702 A 40 LEU H A 40 LEU HD1% 1.0 0.0 4.59 819 703 A 40 LEU HD1% A 37 GLU HA 1.0 0.0 4.48 820 704 A 40 LEU H A 40 LEU HD2% 1.0 0.0 4.34 821 705 A 40 LEU HA A 40 LEU HD2% 1.0 0.0 3.18 822 706 A 40 LEU HD2% A 40 LEU HBy 1.0 0.0 3.44 823 707 A 40 LEU HD2% A 40 LEU HBx 1.0 0.0 3.44 824 708 A 40 LEU H A 40 LEU HG 1.0 0.0 3.92 825 709 A 102 SER H A 41 LEU HD1% 1.0 0.0 4.75 826 710 A 101 PHE HD% A 41 LEU HD1% 1.0 0.0 3.76 827 711 A 41 LEU HD1% A 41 LEU HA 1.0 0.0 3.41 828 712 A 41 LEU HD1% A 102 SER HBy 1.0 0.0 4.22 829 713 A 102 SER HA A 41 LEU HD1% 1.0 0.0 3.72 830 714 A 41 LEU HD1% A 102 SER HBx 1.0 0.0 4.22 831 715 A 41 LEU HD1% A 41 LEU HB2 1.0 0.0 3.52 832 715 A 41 LEU HB3 A 41 LEU HD1% 1.0 0.0 3.52 833 716 A 41 LEU HD1% A 105 LYS HD2 1.0 0.0 3.78 834 716 A 105 LYS HD3 A 41 LEU HD1% 1.0 0.0 3.78 835 717 A 92 SER H A 95 LEU HD2% 1.0 0.0 4.51 836 718 A 95 LEU HD2% A 99 GLN HE22 1.0 0.0 4.74 837 719 A 41 LEU HD2% A 41 LEU HB2 1.0 0.0 3.52 838 719 A 41 LEU HB3 A 41 LEU HD2% 1.0 0.0 3.52 839 720 A 95 LEU HB2 A 95 LEU HD2% 1.0 0.0 3.97 840 721 A 41 LEU HD2% A 72 ILE HG2% 1.0 0.0 3.75 841 722 A 85 LEU HD1% A 95 LEU HD2% 1.0 0.0 3.48 842 723 A 94 LEU HG A 64 LEU HD2% 1.0 0.0 4.69 843 724 A 45 PHE HB3 A 42 LEU HA 1.0 0.0 4.43 844 725 A 42 LEU H A 42 LEU HD1% 1.0 0.0 4.83 845 726 A 42 LEU HD1% A 61 TYR HH 1.0 0.0 4.77 846 727 A 42 LEU HD1% A 42 LEU HA 1.0 0.0 4.99 847 728 A 42 LEU HD1% A 30 SER HA 1.0 0.0 4.82 848 729 A 42 LEU HD1% A 33 ARG HD2 1.0 0.0 4.40 849 729 A 42 LEU HD1% A 33 ARG HD3 1.0 0.0 4.40 850 730 A 42 LEU HD1% A 42 LEU HBy 1.0 0.0 4.03 851 731 A 42 LEU HD1% A 42 LEU HBx 1.0 0.0 4.03 852 732 A 42 LEU H A 42 LEU HD2% 1.0 0.0 4.59 853 733 A 42 LEU HD2% A 61 TYR HH 1.0 0.0 4.56 854 734 A 77 THR H A 77 THR HG2% 1.0 0.0 3.66 855 735 A 42 LEU HD2% A 42 LEU HA 1.0 0.0 3.24 856 736 A 77 THR HG1 A 77 THR HG2% 1.0 0.0 3.79 857 737 A 45 PHE HB3 A 42 LEU HD2% 1.0 0.0 4.37 858 738 A 42 LEU HD2% A 41 LEU HG 1.0 0.0 3.89 859 739 A 76 ALA HB% A 77 THR HG2% 1.0 0.0 3.59 860 740 A 38 THR HG2% A 42 LEU HD2% 1.0 0.0 3.65 861 741 A 42 LEU HD2% A 64 LEU HD2% 1.0 0.0 3.60 862 742 A 98 LEU HD2% A 42 LEU HD2% 1.0 0.0 3.99 863 743 A 95 LEU HB2 A 96 LYS H 1.0 0.0 4.70 864 744 A 42 LEU H A 42 LEU HG 1.0 0.0 4.58 865 745 A 103 GLU H A 102 SER HBy 1.0 0.0 4.53 866 746 A 44 GLY H A 43 SER HBx 1.0 0.0 4.95 867 747 A 45 PHE HD% A 45 PHE HA 1.0 0.0 4.33 868 748 A 46 ALA HB% A 46 ALA H 1.0 0.0 3.36 869 749 A 46 ALA HB% A 61 TYR HH 1.0 0.0 3.95 870 750 A 46 ALA HB% A 49 TYR H 1.0 0.0 5.03 871 751 A 46 ALA HB% A 50 LEU H 1.0 0.0 5.24 872 752 A 46 ALA HB% A 47 ALA H 1.0 0.0 3.67 873 753 A 46 ALA HB% A 48 LYS H 1.0 0.0 5.25 874 754 A 46 ALA HB% A 43 SER HA 1.0 0.0 3.84 875 755 A 27 ILE HG12 A 46 ALA HB% 1.0 0.0 4.36 876 756 A 46 ALA HB% A 42 LEU HD2% 1.0 0.0 4.69 877 757 A 49 TYR H A 46 ALA HA 1.0 0.0 4.36 878 758 A 53 MET HE% A 46 ALA HA 1.0 0.0 4.39 879 759 A 47 ALA HB% A 46 ALA H 1.0 0.0 4.70 880 760 A 27 ILE H A 24 ALA HB% 1.0 0.0 5.00 881 761 A 24 ALA HB% A 28 TYR H 1.0 0.0 5.10 882 762 A 27 ILE HG2% A 47 ALA HB% 1.0 0.0 3.96 883 763 A 95 LEU HD1% A 76 ALA HA 1.0 0.0 4.37 884 764 A 27 ILE HD1% A 47 ALA HA 1.0 0.0 4.59 885 765 A 103 GLU HA A 103 GLU HGx 1.0 0.0 3.86 886 766 A 68 LEU HD1% A 68 LEU HA 1.0 0.0 4.49 887 767 A 68 LEU HD1% A 68 LEU HB2 1.0 0.0 3.31 888 767 A 68 LEU HB3 A 68 LEU HD1% 1.0 0.0 3.31 889 768 A 45 PHE HA A 48 LYS HBx 1.0 0.0 5.35 890 769 A 101 PHE HD% A 48 LYS HDy 1.0 0.0 4.77 891 770 A 49 TYR HA A 51 LYS HB2 1.0 0.0 4.92 892 770 A 51 LYS HB3 A 49 TYR HA 1.0 0.0 4.92 893 771 A 50 LEU H A 49 TYR HBy 1.0 0.0 5.03 894 772 A 50 LEU H A 49 TYR HBx 1.0 0.0 5.03 895 773 A 50 LEU HA A 58 LEU HD2% 1.0 0.0 4.81 896 774 A 50 LEU HD1% A 51 LYS H 1.0 0.0 5.10 897 775 A 50 LEU HD1% A 50 LEU H 1.0 0.0 4.17 898 776 A 50 LEU HD1% A 45 PHE HD% 1.0 0.0 5.05 899 777 A 50 LEU HD1% A 58 LEU HA 1.0 0.0 4.91 900 778 A 50 LEU HD1% A 50 LEU HA 1.0 0.0 3.89 901 779 A 50 LEU HD1% A 46 ALA HA 1.0 0.0 3.50 902 780 A 50 LEU HD1% A 26 LEU HB2 1.0 0.0 3.77 903 781 A 27 ILE HG12 A 50 LEU HD1% 1.0 0.0 3.29 904 782 A 50 LEU H A 50 LEU HBy 1.0 0.0 3.94 905 783 A 27 ILE H A 50 LEU HD2% 1.0 0.0 4.31 906 784 A 50 LEU HD2% A 50 LEU H 1.0 0.0 4.27 907 785 A 50 LEU HD2% A 61 TYR HD% 1.0 0.0 4.13 908 786 A 50 LEU HD2% A 61 TYR HE% 1.0 0.0 3.97 909 787 A 50 LEU HD2% A 58 LEU HA 1.0 0.0 4.60 910 788 A 50 LEU HD2% A 50 LEU HA 1.0 0.0 3.73 911 789 A 50 LEU HD2% A 23 ARG HA 1.0 0.0 3.71 912 790 A 50 LEU HD2% A 26 LEU HB2 1.0 0.0 3.79 913 791 A 50 LEU HD2% A 27 ILE HG13 1.0 0.0 3.47 914 792 A 50 LEU HD2% A 50 LEU HBy 1.0 0.0 3.57 915 793 A 50 LEU HD2% A 50 LEU HBx 1.0 0.0 3.57 916 794 A 50 LEU HD2% A 58 LEU HD2% 1.0 0.0 3.16 917 795 A 50 LEU H A 50 LEU HBx 1.0 0.0 3.94 918 796 A 53 MET HA A 53 MET HGy 1.0 0.0 4.19 919 797 A 61 TYR H A 53 MET HE% 1.0 0.0 4.75 920 798 A 53 MET HE% A 53 MET H 1.0 0.0 4.37 921 799 A 53 MET HE% A 61 TYR HD% 1.0 0.0 3.90 922 800 A 53 MET HE% A 49 TYR HD% 1.0 0.0 3.51 923 801 A 53 MET HE% A 53 MET HA 1.0 0.0 4.46 924 802 A 53 MET HE% A 49 TYR HA 1.0 0.0 4.15 925 803 A 53 MET HE% A 58 LEU HA 1.0 0.0 4.02 926 804 A 53 MET HE% A 50 LEU HA 1.0 0.0 3.59 927 805 A 53 MET HE% A 61 TYR HB2 1.0 0.0 3.97 928 806 A 53 MET HE% A 53 MET HGy 1.0 0.0 3.43 929 807 A 53 MET HE% A 53 MET HGx 1.0 0.0 3.43 930 808 A 94 LEU HD1% A 53 MET HE% 1.0 0.0 2.99 931 809 A 50 LEU HD1% A 53 MET HE% 1.0 0.0 3.19 932 810 A 55 GLU HA A 55 GLU HGx 1.0 0.0 4.06 933 811 A 55 GLU HA A 58 LEU HB2 1.0 0.0 4.18 934 812 A 55 GLU HA A 58 LEU HG 1.0 0.0 4.76 935 813 A 55 GLU H A 55 GLU HGy 1.0 0.0 4.44 936 814 A 57 GLU H A 56 GLU HG2 1.0 0.0 4.91 937 814 A 56 GLU HG3 A 57 GLU H 1.0 0.0 4.91 938 815 A 55 GLU HA A 55 GLU HGy 1.0 0.0 4.06 939 816 A 55 GLU H A 55 GLU HBx 1.0 0.0 3.78 940 817 A 95 LEU H A 93 LYS HA 1.0 0.0 4.61 941 818 A 56 GLU HA A 56 GLU HG2 1.0 0.0 3.51 942 818 A 56 GLU HG3 A 56 GLU HA 1.0 0.0 3.51 943 819 A 57 GLU H A 56 GLU HBx 1.0 0.0 4.16 944 820 A 49 TYR HE% A 97 GLN HB3 1.0 0.0 4.39 945 821 A 97 GLN HB3 A 45 PHE HE% 1.0 0.0 4.28 946 822 A 59 GLU HA A 62 ASP HBx 1.0 0.0 4.29 947 823 A 60 GLU HA A 60 GLU HGy 1.0 0.0 4.18 948 824 A 96 LYS HA A 96 LYS HD2 1.0 0.0 4.11 949 824 A 96 LYS HA A 96 LYS HD3 1.0 0.0 4.11 950 825 A 89 TRP HH2 A 60 GLU HGy 1.0 0.0 5.09 951 826 A 19 LEU HA A 58 LEU HD1% 1.0 0.0 5.23 952 827 A 58 LEU HD1% A 50 LEU HA 1.0 0.0 5.50 953 828 A 58 LEU HD1% A 55 GLU HA 1.0 0.0 3.83 954 829 A 58 LEU HD1% A 58 LEU HB2 1.0 0.0 3.63 955 830 A 58 LEU HD1% A 58 LEU HB3 1.0 0.0 3.87 956 831 A 26 LEU HD1% A 58 LEU HB2 1.0 0.0 4.28 957 832 A 58 LEU HD2% A 23 ARG HA 1.0 0.0 4.35 958 833 A 58 LEU HD2% A 58 LEU HB3 1.0 0.0 3.61 959 834 A 59 GLU HA A 62 ASP HBy 1.0 0.0 4.29 960 835 A 60 GLU H A 59 GLU HGx 1.0 0.0 5.16 961 836 A 60 GLU H A 59 GLU HGy 1.0 0.0 5.16 962 837 A 59 GLU HA A 59 GLU HGy 1.0 0.0 4.05 963 838 A 61 TYR HB2 A 62 ASP H 1.0 0.0 4.93 964 839 A 107 LYS HA A 107 LYS HD2 1.0 0.0 4.17 965 839 A 107 LYS HA A 107 LYS HD3 1.0 0.0 4.17 966 840 A 107 LYS HA A 107 LYS HG2 1.0 0.0 3.64 967 840 A 107 LYS HG3 A 107 LYS HA 1.0 0.0 3.64 968 841 A 81 LYS HA A 81 LYS HG2 1.0 0.0 3.80 969 841 A 81 LYS HG3 A 81 LYS HA 1.0 0.0 3.80 970 842 A 105 LYS HA A 105 LYS HGx 1.0 0.0 4.17 971 843 A 64 LEU H A 64 LEU HD1% 1.0 0.0 4.64 972 844 A 89 TRP HH2 A 64 LEU HD1% 1.0 0.0 4.51 973 845 A 64 LEU HD1% A 75 TRP HE3 1.0 0.0 4.38 974 846 A 75 TRP HZ3 A 64 LEU HD1% 1.0 0.0 4.37 975 847 A 64 LEU HD1% A 64 LEU HA 1.0 0.0 3.46 976 848 A 64 LEU HD1% A 67 GLU HGy 1.0 0.0 4.56 977 849 A 64 LEU HD1% A 72 ILE HA 1.0 0.0 5.08 978 850 A 64 LEU HD1% A 67 GLU HGx 1.0 0.0 4.56 979 851 A 64 LEU HB3 A 64 LEU HD1% 1.0 0.0 4.17 980 852 A 64 LEU HB2 A 64 LEU HD1% 1.0 0.0 3.72 981 853 A 95 LEU HD1% A 64 LEU HD1% 1.0 0.0 3.99 982 854 A 72 ILE HG2% A 64 LEU HD1% 1.0 0.0 3.74 983 855 A 64 LEU H A 64 LEU HD2% 1.0 0.0 4.52 984 856 A 65 LEU H A 64 LEU HD2% 1.0 0.0 4.86 985 857 A 64 LEU HB3 A 64 LEU HD2% 1.0 0.0 3.70 986 858 A 98 LEU HD2% A 98 LEU HBy 1.0 0.0 4.24 987 859 A 64 LEU HB2 A 64 LEU HD2% 1.0 0.0 3.79 988 860 A 41 LEU HD2% A 98 LEU HD2% 1.0 0.0 3.44 989 861 A 62 ASP HA A 65 LEU HD1% 1.0 0.0 4.15 990 862 A 65 LEU HD1% A 26 LEU HA 1.0 0.0 4.22 991 863 A 65 LEU HD1% A 65 LEU HA 1.0 0.0 4.36 992 864 A 65 LEU HD1% A 29 GLN HBy 1.0 0.0 4.20 993 865 A 65 LEU HD1% A 65 LEU HBy 1.0 0.0 3.78 994 866 A 65 LEU HD1% A 65 LEU HBx 1.0 0.0 3.78 995 867 A 65 LEU HD1% A 26 LEU HD2% 1.0 0.0 3.44 996 868 A 61 TYR HH A 65 LEU HD2% 1.0 0.0 4.48 997 869 A 65 LEU H A 65 LEU HD2% 1.0 0.0 4.31 998 870 A 30 SER HA A 65 LEU HD2% 1.0 0.0 4.14 999 871 A 65 LEU HA A 65 LEU HD2% 1.0 0.0 3.42 1000 872 A 65 LEU HD2% A 33 ARG HD2 1.0 0.0 4.57 1001 872 A 33 ARG HD3 A 65 LEU HD2% 1.0 0.0 4.57 1002 873 A 46 ALA HB% A 65 LEU HD2% 1.0 0.0 4.35 1003 874 A 26 LEU HD2% A 65 LEU HD2% 1.0 0.0 4.16 1004 875 A 42 LEU HD1% A 65 LEU HD2% 1.0 0.0 3.17 1005 876 A 63 SER HA A 66 ASN HB2 1.0 0.0 4.84 1006 876 A 63 SER HA A 66 ASN HB3 1.0 0.0 4.84 1007 877 A 68 LEU H A 68 LEU HD2% 1.0 0.0 4.49 1008 878 A 69 ASP H A 68 LEU HD2% 1.0 0.0 4.25 1009 879 A 68 LEU HD2% A 68 LEU HB2 1.0 0.0 3.53 1010 879 A 68 LEU HB3 A 68 LEU HD2% 1.0 0.0 3.53 1011 880 A 38 THR HG2% A 72 ILE HB 1.0 0.0 4.69 1012 881 A 72 ILE HD1% A 33 ARG HH1% 1.0 0.0 4.75 1013 882 A 72 ILE HD1% A 33 ARG HH2% 1.0 0.0 5.23 1014 883 A 72 ILE HD1% A 69 ASP HA 1.0 0.0 4.01 1015 884 A 72 ILE HD1% A 65 LEU HA 1.0 0.0 4.11 1016 885 A 72 ILE HD1% A 72 ILE HA 1.0 0.0 4.70 1017 886 A 67 GLU HB3 A 72 ILE HD1% 1.0 0.0 4.77 1018 887 A 67 GLU HB2 A 72 ILE HD1% 1.0 0.0 4.33 1019 888 A 38 THR HG2% A 72 ILE HD1% 1.0 0.0 3.81 1020 889 A 64 LEU HG A 72 ILE HD1% 1.0 0.0 4.35 1021 890 A 72 ILE HD1% A 64 LEU HD1% 1.0 0.0 4.46 1022 891 A 72 ILE H A 72 ILE HG2% 1.0 0.0 4.50 1023 892 A 73 TYR H A 72 ILE HG2% 1.0 0.0 4.76 1024 893 A 72 ILE HG2% A 75 TRP HE3 1.0 0.0 5.00 1025 894 A 38 THR HA A 72 ILE HG2% 1.0 0.0 5.17 1026 895 A 72 ILE HG2% A 73 TYR HA 1.0 0.0 4.57 1027 896 A 72 ILE HG2% A 72 ILE HA 1.0 0.0 3.71 1028 897 A 72 ILE HG2% A 42 LEU HG 1.0 0.0 4.56 1029 898 A 38 THR HG2% A 72 ILE HG2% 1.0 0.0 3.68 1030 899 A 64 LEU HG A 72 ILE HG2% 1.0 0.0 4.24 1031 900 A 76 ALA H A 73 TYR HA 1.0 0.0 4.87 1032 901 A 41 LEU HD2% A 73 TYR HA 1.0 0.0 4.27 1033 902 A 77 THR H A 76 ALA HB% 1.0 0.0 3.87 1034 903 A 76 ALA HB% A 99 GLN HA 1.0 0.0 4.90 1035 904 A 76 ALA HB% A 98 LEU HG 1.0 0.0 3.65 1036 905 A 76 ALA HB% A 41 LEU HD2% 1.0 0.0 3.22 1037 906 A 76 ALA HB% A 72 ILE HG2% 1.0 0.0 4.33 1038 907 A 76 ALA HB% A 98 LEU HD2% 1.0 0.0 3.59 1039 908 A 76 ALA HA A 99 GLN HGy 1.0 0.0 4.28 1040 909 A 76 ALA HA A 99 GLN HGx 1.0 0.0 4.28 1041 910 A 74 TYR HD% A 79 ASN HBy 1.0 0.0 4.70 1042 911 A 74 TYR HA A 79 ASN HBy 1.0 0.0 4.95 1043 912 A 82 THR H A 81 LYS HBy 1.0 0.0 4.33 1044 913 A 82 THR H A 82 THR HG2% 1.0 0.0 4.26 1045 914 A 82 THR HG2% A 82 THR HA 1.0 0.0 3.35 1046 915 A 83 SER HB2 A 82 THR HG2% 1.0 0.0 4.66 1047 916 A 82 THR HG2% A 81 LYS HG2 1.0 0.0 4.54 1048 916 A 81 LYS HG3 A 82 THR HG2% 1.0 0.0 4.54 1049 917 A 83 SER HA A 84 PRO HDy 1.0 0.0 3.68 1050 918 A 83 SER HA A 84 PRO HDx 1.0 0.0 3.68 1051 919 A 83 SER HB3 A 75 TRP HZ2 1.0 0.0 5.18 1052 920 A 83 SER HB3 A 74 TYR HB3 1.0 0.0 4.59 1053 921 A 74 TYR HB2 A 83 SER HB3 1.0 0.0 4.73 1054 922 A 83 SER HB2 A 75 TRP HE1 1.0 0.0 4.70 1055 923 A 83 SER HB2 A 74 TYR HB3 1.0 0.0 4.45 1056 924 A 85 LEU H A 84 PRO HBy 1.0 0.0 4.38 1057 925 A 83 SER HA A 84 PRO HG2 1.0 0.0 4.59 1058 925 A 83 SER HA A 84 PRO HG3 1.0 0.0 4.59 1059 926 A 86 PRO HD3 A 85 LEU HA 1.0 0.0 3.93 1060 927 A 85 LEU HA A 86 PRO HG2 1.0 0.0 4.68 1061 927 A 85 LEU HA A 86 PRO HG3 1.0 0.0 4.68 1062 928 A 85 LEU HD1% A 75 TRP HZ2 1.0 0.0 4.51 1063 929 A 85 LEU HD1% A 89 TRP H 1.0 0.0 5.50 1064 930 A 86 PRO HD3 A 85 LEU HD1% 1.0 0.0 4.23 1065 931 A 85 LEU HA A 85 LEU HD1% 1.0 0.0 3.59 1066 932 A 85 LEU HD1% A 89 TRP HBy 1.0 0.0 4.20 1067 933 A 85 LEU HD1% A 75 TRP HB3 1.0 0.0 4.62 1068 934 A 86 PRO HD2 A 85 LEU HD1% 1.0 0.0 3.98 1069 935 A 85 LEU HD1% A 89 TRP HBx 1.0 0.0 4.20 1070 936 A 85 LEU HD1% A 85 LEU HBx 1.0 0.0 4.12 1071 937 A 85 LEU HD2% A 90 ALA H 1.0 0.0 4.19 1072 938 A 85 LEU HD2% A 89 TRP H 1.0 0.0 4.93 1073 939 A 85 LEU HD2% A 90 ALA HA 1.0 0.0 3.47 1074 940 A 85 LEU HD2% A 89 TRP HBy 1.0 0.0 4.80 1075 941 A 85 LEU HD2% A 89 TRP HBx 1.0 0.0 4.80 1076 942 A 85 LEU HD2% A 90 ALA HB% 1.0 0.0 3.69 1077 943 A 85 LEU HD2% A 95 LEU HD2% 1.0 0.0 3.66 1078 944 A 85 LEU HD2% A 85 LEU HBx 1.0 0.0 3.59 1079 945 A 88 LYS H A 86 PRO HB3 1.0 0.0 4.85 1080 946 A 86 PRO HB3 A 89 TRP HD1 1.0 0.0 4.80 1081 947 A 86 PRO HA A 87 ASP HB2 1.0 0.0 4.95 1082 947 A 86 PRO HA A 87 ASP HB3 1.0 0.0 4.95 1083 948 A 98 LEU HD2% A 98 LEU HA 1.0 0.0 4.83 1084 949 A 89 TRP HE1 A 88 LYS HEx 1.0 0.0 5.05 1085 950 A 89 TRP HE1 A 88 LYS HEy 1.0 0.0 5.05 1086 951 A 89 TRP H A 88 LYS HBy 1.0 0.0 4.89 1087 952 A 89 TRP HE1 A 88 LYS HD2 1.0 0.0 4.37 1088 952 A 89 TRP HE1 A 88 LYS HD3 1.0 0.0 4.37 1089 953 A 88 LYS HA A 88 LYS HD2 1.0 0.0 4.75 1090 953 A 88 LYS HD3 A 88 LYS HA 1.0 0.0 4.75 1091 954 A 89 TRP H A 88 LYS HBx 1.0 0.0 4.89 1092 955 A 90 ALA HB% A 90 ALA H 1.0 0.0 3.08 1093 956 A 90 ALA HB% A 89 TRP HA 1.0 0.0 5.27 1094 957 A 90 ALA HB% A 91 ASN HA 1.0 0.0 5.50 1095 958 A 90 ALA HB% A 87 ASP HA 1.0 0.0 3.40 1096 959 A 90 ALA HB% A 87 ASP HB2 1.0 0.0 4.44 1097 959 A 87 ASP HB3 A 90 ALA HB% 1.0 0.0 4.44 1098 960 A 85 LEU HD1% A 90 ALA HA 1.0 0.0 4.64 1099 961 A 93 LYS HE3 A 93 LYS HGx 1.0 0.0 4.10 1100 961 A 93 LYS HGx A 93 LYS HE2 1.0 0.0 4.10 1101 962 A 97 GLN HE21 A 93 LYS HE2 1.0 0.0 4.96 1102 962 A 97 GLN HE21 A 93 LYS HE3 1.0 0.0 4.96 1103 963 A 97 GLN HE22 A 93 LYS HE2 1.0 0.0 5.50 1104 963 A 93 LYS HE3 A 97 GLN HE22 1.0 0.0 5.50 1105 964 A 96 LYS HA A 96 LYS HGy 1.0 0.0 4.18 1106 965 A 93 LYS HA A 93 LYS HGy 1.0 0.0 4.14 1107 966 A 93 LYS HE3 A 93 LYS HGy 1.0 0.0 4.10 1108 966 A 93 LYS HE2 A 93 LYS HGy 1.0 0.0 4.10 1109 967 A 94 LEU H A 93 LYS HD2 1.0 0.0 5.50 1110 967 A 94 LEU H A 93 LYS HD3 1.0 0.0 5.50 1111 968 A 97 GLN H A 96 LYS HD2 1.0 0.0 5.50 1112 968 A 97 GLN H A 96 LYS HD3 1.0 0.0 5.50 1113 969 A 94 LEU HD1% A 61 TYR H 1.0 0.0 4.51 1114 970 A 94 LEU HD1% A 94 LEU H 1.0 0.0 4.26 1115 971 A 94 LEU HD1% A 45 PHE HZ 1.0 0.0 3.55 1116 972 A 94 LEU HD1% A 45 PHE HE% 1.0 0.0 3.59 1117 973 A 94 LEU HD1% A 94 LEU HA 1.0 0.0 3.31 1118 974 A 94 LEU HD1% A 61 TYR HA 1.0 0.0 3.97 1119 975 A 94 LEU HD1% A 61 TYR HB2 1.0 0.0 4.19 1120 976 A 97 GLN HB2 A 94 LEU HD1% 1.0 0.0 4.57 1121 977 A 94 LEU HD1% A 94 LEU HBy 1.0 0.0 3.55 1122 978 A 94 LEU HD1% A 94 LEU HBx 1.0 0.0 3.55 1123 979 A 94 LEU HD1% A 64 LEU HD2% 1.0 0.0 3.80 1124 980 A 95 LEU H A 94 LEU HD2% 1.0 0.0 5.32 1125 981 A 94 LEU HD2% A 45 PHE HE% 1.0 0.0 5.05 1126 982 A 94 LEU HD2% A 61 TYR HE% 1.0 0.0 5.49 1127 983 A 94 LEU HD2% A 94 LEU HA 1.0 0.0 4.47 1128 984 A 61 TYR HB2 A 94 LEU HD2% 1.0 0.0 4.44 1129 985 A 94 LEU HD2% A 94 LEU HBy 1.0 0.0 3.86 1130 986 A 94 LEU HD2% A 94 LEU HBx 1.0 0.0 3.86 1131 987 A 94 LEU HD2% A 64 LEU HD2% 1.0 0.0 3.64 1132 988 A 98 LEU H A 95 LEU HA 1.0 0.0 4.55 1133 989 A 95 LEU H A 95 LEU HD1% 1.0 0.0 4.42 1134 990 A 95 LEU HD1% A 99 GLN HE21 1.0 0.0 4.14 1135 991 A 95 LEU HD1% A 99 GLN HE22 1.0 0.0 4.22 1136 992 A 75 TRP HB2 A 95 LEU HD1% 1.0 0.0 4.02 1137 993 A 75 TRP HB3 A 95 LEU HD1% 1.0 0.0 4.03 1138 994 A 95 LEU HB3 A 95 LEU HD1% 1.0 0.0 3.96 1139 995 A 85 LEU HD1% A 95 LEU HD1% 1.0 0.0 4.25 1140 996 A 95 LEU H A 95 LEU HD2% 1.0 0.0 4.51 1141 997 A 95 LEU HD2% A 89 TRP HE3 1.0 0.0 4.56 1142 998 A 95 LEU HD2% A 99 GLN HE21 1.0 0.0 4.36 1143 999 A 75 TRP HB3 A 95 LEU HD2% 1.0 0.0 4.20 1144 1000 A 95 LEU HB3 A 95 LEU HD2% 1.0 0.0 3.73 1145 1001 A 101 PHE H A 97 GLN HA 1.0 0.0 4.66 1146 1002 A 97 GLN HB2 A 45 PHE HE% 1.0 0.0 4.76 1147 1003 A 94 LEU HA A 97 GLN HGx 1.0 0.0 5.02 1148 1004 A 97 GLN HA A 97 GLN HGx 1.0 0.0 4.03 1149 1005 A 94 LEU HA A 97 GLN HGy 1.0 0.0 5.02 1150 1006 A 45 PHE H A 98 LEU HD1% 1.0 0.0 5.42 1151 1007 A 101 PHE H A 98 LEU HD1% 1.0 0.0 5.50 1152 1008 A 98 LEU H A 98 LEU HD1% 1.0 0.0 4.81 1153 1009 A 101 PHE HD% A 98 LEU HD1% 1.0 0.0 4.19 1154 1010 A 45 PHE HD% A 98 LEU HD1% 1.0 0.0 3.97 1155 1011 A 45 PHE HE% A 98 LEU HD1% 1.0 0.0 4.19 1156 1012 A 42 LEU HA A 98 LEU HD1% 1.0 0.0 4.86 1157 1013 A 98 LEU HA A 98 LEU HD1% 1.0 0.0 3.43 1158 1014 A 101 PHE HB3 A 98 LEU HD1% 1.0 0.0 4.58 1159 1015 A 45 PHE HB3 A 98 LEU HD1% 1.0 0.0 4.32 1160 1016 A 45 PHE HB2 A 98 LEU HD1% 1.0 0.0 4.44 1161 1017 A 41 LEU HG A 98 LEU HD1% 1.0 0.0 3.70 1162 1018 A 76 ALA HB% A 98 LEU HD1% 1.0 0.0 3.99 1163 1019 A 41 LEU HD1% A 98 LEU HD1% 1.0 0.0 3.51 1164 1020 A 41 LEU HD2% A 98 LEU HD1% 1.0 0.0 3.39 1165 1021 A 42 LEU HD2% A 98 LEU HD1% 1.0 0.0 3.56 1166 1022 A 98 LEU HD2% A 45 PHE HE% 1.0 0.0 4.90 1167 1023 A 98 LEU HD2% A 98 LEU HBx 1.0 0.0 4.24 1168 1024 A 76 ALA HA A 98 LEU HG 1.0 0.0 4.94 1169 1025 A 99 GLN HB3 A 96 LYS HA 1.0 0.0 4.81 1170 1026 A 100 GLU HA A 100 GLU HGx 1.0 0.0 3.99 1171 1027 A 101 PHE H A 100 GLU HGy 1.0 0.0 5.03 1172 1028 A 100 GLU HA A 100 GLU HGy 1.0 0.0 3.99 1173 1029 A 101 PHE HD% A 101 PHE HA 1.0 0.0 3.75 1174 1030 A 45 PHE HD% A 101 PHE HB3 1.0 0.0 4.94 1175 1031 A 99 GLN HA A 102 SER HBy 1.0 0.0 4.82 1176 1032 A 108 GLU H A 108 GLU HBy 1.0 0.0 3.89 1177 1033 A 106 GLU H A 106 GLU HGy 1.0 0.0 4.67 1178 1034 A 103 GLU H A 103 GLU HGx 1.0 0.0 4.11 1179 1035 A 103 GLU HA A 103 GLU HGy 1.0 0.0 3.86 1180 1036 A 106 GLU H A 105 LYS HGy 1.0 0.0 5.23 1181 1037 A 102 SER HA A 105 LYS HB2 1.0 0.0 4.95 1182 1037 A 105 LYS HB3 A 102 SER HA 1.0 0.0 4.95 1183 1038 A 108 GLU H A 107 LYS HBy 1.0 0.0 4.89 1184 1039 A 107 LYS H A 107 LYS HBy 1.0 0.0 3.75 1185 1040 A 50 LEU HA A 50 LEU HG 1.0 0.0 4.24 1186 1041 A 108 GLU H A 108 GLU HGx 1.0 0.0 4.45 1187 1042 A 109 ILE H A 109 ILE HB 1.0 0.0 4.19 1188 1043 A 109 ILE HG2% A 109 ILE HA 1.0 0.0 3.85 1189 1044 A 12 ILE HG2% A 12 ILE HG1y 1.0 0.0 3.58 1190 1045 A 12 ILE HG2% A 12 ILE HG1x 1.0 0.0 3.58 1191 1046 A 62 ASP HA A 65 LEU HG 1.0 0.0 5.13 1192 1047 A 58 LEU HD1% A 22 LYS HGx 1.0 0.0 4.93 1193 1048 A 50 LEU HG A 61 TYR HE% 1.0 0.0 5.50 1194 1049 A 41 LEU HD2% A 105 LYS HE2 1.0 0.0 4.50 1195 1049 A 41 LEU HD2% A 105 LYS HE3 1.0 0.0 4.50 1196 1050 A 14 ARG HBy A 14 ARG HD2 1.0 0.0 3.89 1197 1050 A 14 ARG HBy A 14 ARG HD3 1.0 0.0 3.89 1198 1051 A 14 ARG HBx A 14 ARG HD2 1.0 0.0 3.89 1199 1051 A 14 ARG HBx A 14 ARG HD3 1.0 0.0 3.89 1200 1052 A 17 GLU HA A 18 PRO HG2 1.0 0.0 4.63 1201 1052 A 18 PRO HG3 A 17 GLU HA 1.0 0.0 4.63 1202 1053 A 19 LEU H A 18 PRO HG2 1.0 0.0 5.17 1203 1053 A 19 LEU H A 18 PRO HG3 1.0 0.0 5.17 1204 1054 A 20 ASP H A 19 LEU HG 1.0 0.0 5.23 1205 1055 A 19 LEU HD2% A 19 LEU HBx 1.0 0.0 3.69 1206 1056 A 19 LEU HD2% A 19 LEU HBy 1.0 0.0 3.69 1207 1057 A 19 LEU HD2% A 55 GLU HGy 1.0 0.0 4.58 1208 1058 A 19 LEU HD2% A 22 LYS HEx 1.0 0.0 5.11 1209 1059 A 19 LEU HD2% A 55 GLU H 1.0 0.0 4.95 1210 1060 A 23 ARG H A 20 ASP HA 1.0 0.0 4.50 1211 1061 A 22 LYS HA A 25 ARG HE 1.0 0.0 4.97 1212 1062 A 19 LEU HD1% A 22 LYS HEx 1.0 0.0 5.50 1213 1063 A 26 LEU HB2 A 23 ARG HA 1.0 0.0 4.35 1214 1064 A 27 ILE HD1% A 47 ALA HB% 1.0 0.0 4.21 1215 1065 A 26 LEU HG A 26 LEU HA 1.0 0.0 4.27 1216 1066 A 61 TYR HB2 A 58 LEU HA 1.0 0.0 4.48 1217 1067 A 58 LEU HA A 61 TYR HB3 1.0 0.0 4.74 1218 1068 A 50 LEU HD2% A 26 LEU HA 1.0 0.0 5.50 1219 1069 A 26 LEU HA A 65 LEU HD2% 1.0 0.0 5.50 1220 1070 A 26 LEU HD1% A 62 ASP HA 1.0 0.0 4.73 1221 1071 A 26 LEU HD1% A 61 TYR HE% 1.0 0.0 4.87 1222 1072 A 50 LEU HD2% A 26 LEU HD2% 1.0 0.0 4.45 1223 1073 A 29 GLN HE21 A 26 LEU HD2% 1.0 0.0 4.97 1224 1074 A 27 ILE HB A 27 ILE HD1% 1.0 0.0 3.32 1225 1075 A 29 GLN HA A 32 LYS HG2 1.0 0.0 5.18 1226 1075 A 32 LYS HG3 A 29 GLN HA 1.0 0.0 5.18 1227 1076 A 98 LEU HA A 101 PHE HB3 1.0 0.0 4.55 1228 1077 A 31 ARG H A 29 GLN HA 1.0 0.0 4.99 1229 1078 A 28 TYR HA A 31 ARG HD2 1.0 0.0 4.78 1230 1078 A 28 TYR HA A 31 ARG HD3 1.0 0.0 4.78 1231 1079 A 31 ARG HA A 31 ARG HD2 1.0 0.0 4.84 1232 1079 A 31 ARG HD3 A 31 ARG HA 1.0 0.0 4.84 1233 1080 A 28 TYR HD% A 31 ARG HD2 1.0 0.0 5.19 1234 1080 A 31 ARG HD3 A 28 TYR HD% 1.0 0.0 5.19 1235 1081 A 33 ARG H A 32 LYS HB2 1.0 0.0 5.14 1236 1082 A 29 GLN HA A 32 LYS HB3 1.0 0.0 5.20 1237 1083 A 32 LYS H A 32 LYS HD2 1.0 0.0 5.09 1238 1083 A 32 LYS H A 32 LYS HD3 1.0 0.0 5.09 1239 1084 A 48 LYS HA A 48 LYS HE2 1.0 0.0 4.63 1240 1084 A 48 LYS HE3 A 48 LYS HA 1.0 0.0 4.63 1241 1085 A 101 PHE HZ A 48 LYS HE2 1.0 0.0 4.90 1242 1085 A 101 PHE HZ A 48 LYS HE3 1.0 0.0 4.90 1243 1086 A 36 LEU H A 35 ILE HB 1.0 0.0 5.05 1244 1087 A 35 ILE HD1% A 70 TRP HE3 1.0 0.0 5.22 1245 1088 A 36 LEU HD1% A 39 ASP HBx 1.0 0.0 4.78 1246 1089 A 36 LEU HA A 36 LEU HD1% 1.0 0.0 3.70 1247 1090 A 40 LEU H A 36 LEU HD1% 1.0 0.0 5.06 1248 1091 A 40 LEU HD1% A 40 LEU HA 1.0 0.0 4.24 1249 1092 A 37 GLU H A 36 LEU HD2% 1.0 0.0 5.04 1250 1093 A 38 THR HB A 42 LEU HD1% 1.0 0.0 5.13 1251 1094 A 38 THR HG2% A 35 ILE HD1% 1.0 0.0 5.08 1252 1095 A 38 THR HG2% A 98 LEU HD1% 1.0 0.0 5.50 1253 1096 A 38 THR HG2% A 41 LEU HD2% 1.0 0.0 3.84 1254 1097 A 38 THR HG2% A 41 LEU HB2 1.0 0.0 4.44 1255 1097 A 41 LEU HB3 A 38 THR HG2% 1.0 0.0 4.44 1256 1098 A 38 THR H A 38 THR HG2% 1.0 0.0 4.84 1257 1099 A 38 THR HG2% A 69 ASP H 1.0 0.0 5.27 1258 1100 A 38 THR HG2% A 43 SER H 1.0 0.0 5.44 1259 1101 A 42 LEU H A 38 THR HG2% 1.0 0.0 5.13 1260 1102 A 40 LEU HD1% A 40 LEU HBy 1.0 0.0 4.13 1261 1103 A 41 LEU H A 40 LEU HD2% 1.0 0.0 5.07 1262 1104 A 98 LEU HD2% A 41 LEU HD1% 1.0 0.0 4.42 1263 1105 A 76 ALA HB% A 41 LEU HD1% 1.0 0.0 3.58 1264 1106 A 41 LEU HD1% A 105 LYS HE2 1.0 0.0 4.81 1265 1106 A 105 LYS HE3 A 41 LEU HD1% 1.0 0.0 4.81 1266 1107 A 45 PHE HB2 A 41 LEU HD1% 1.0 0.0 4.98 1267 1108 A 101 PHE HB3 A 41 LEU HD1% 1.0 0.0 5.09 1268 1109 A 41 LEU HD1% A 73 TYR HD% 1.0 0.0 4.98 1269 1110 A 41 LEU H A 41 LEU HD1% 1.0 0.0 4.29 1270 1111 A 41 LEU HD1% A 101 PHE HE% 1.0 0.0 3.85 1271 1112 A 45 PHE H A 41 LEU HD1% 1.0 0.0 5.16 1272 1113 A 42 LEU H A 41 LEU HD1% 1.0 0.0 5.11 1273 1114 A 41 LEU HD2% A 41 LEU HA 1.0 0.0 5.06 1274 1115 A 41 LEU H A 41 LEU HD2% 1.0 0.0 5.06 1275 1116 A 96 LYS H A 95 LEU HD2% 1.0 0.0 5.36 1276 1117 A 42 LEU HA A 41 LEU HG 1.0 0.0 4.66 1277 1118 A 46 ALA HB% A 42 LEU HA 1.0 0.0 5.18 1278 1119 A 45 PHE H A 42 LEU HA 1.0 0.0 5.33 1279 1120 A 42 LEU HD1% A 41 LEU HB2 1.0 0.0 4.42 1280 1120 A 41 LEU HB3 A 42 LEU HD1% 1.0 0.0 4.42 1281 1121 A 42 LEU HD1% A 39 ASP HA 1.0 0.0 4.98 1282 1122 A 77 THR HG2% A 77 THR HA 1.0 0.0 3.24 1283 1123 A 45 PHE HD% A 42 LEU HD2% 1.0 0.0 4.79 1284 1124 A 44 GLY H A 43 SER HBy 1.0 0.0 4.95 1285 1125 A 45 PHE HA A 48 LYS HBy 1.0 0.0 5.35 1286 1126 A 45 PHE HA A 42 LEU HA 1.0 0.0 5.20 1287 1127 A 45 PHE HB2 A 42 LEU HD2% 1.0 0.0 5.05 1288 1128 A 45 PHE HD% A 46 ALA HA 1.0 0.0 5.13 1289 1129 A 46 ALA HB% A 45 PHE HB3 1.0 0.0 4.87 1290 1130 A 46 ALA HB% A 27 ILE HA 1.0 0.0 3.88 1291 1131 A 46 ALA HB% A 45 PHE HD% 1.0 0.0 4.91 1292 1132 A 24 ALA HB% A 21 LYS HA 1.0 0.0 3.42 1293 1133 A 64 LEU HD2% A 64 LEU HA 1.0 0.0 4.72 1294 1134 A 61 TYR HA A 64 LEU HD2% 1.0 0.0 5.04 1295 1135 A 49 TYR H A 48 LYS HGx 1.0 0.0 5.23 1296 1136 A 101 PHE HD% A 48 LYS HE2 1.0 0.0 5.02 1297 1136 A 101 PHE HD% A 48 LYS HE3 1.0 0.0 5.02 1298 1137 A 101 PHE HE% A 48 LYS HE2 1.0 0.0 4.98 1299 1137 A 48 LYS HE3 A 101 PHE HE% 1.0 0.0 4.98 1300 1138 A 27 ILE HD1% A 50 LEU HG 1.0 0.0 5.13 1301 1139 A 58 LEU HD1% A 50 LEU HG 1.0 0.0 5.37 1302 1140 A 26 LEU HD1% A 50 LEU HD1% 1.0 0.0 3.76 1303 1141 A 50 LEU HD1% A 46 ALA HB% 1.0 0.0 3.37 1304 1142 A 50 LEU HD1% A 27 ILE HA 1.0 0.0 4.44 1305 1143 A 26 LEU HD1% A 50 LEU HD2% 1.0 0.0 3.78 1306 1144 A 50 LEU HD2% A 46 ALA HB% 1.0 0.0 3.71 1307 1145 A 26 LEU HB3 A 50 LEU HD2% 1.0 0.0 4.55 1308 1146 A 50 LEU HD2% A 23 ARG HDx 1.0 0.0 5.20 1309 1147 A 50 LEU HD2% A 23 ARG HDy 1.0 0.0 5.20 1310 1148 A 50 LEU HD2% A 61 TYR HB3 1.0 0.0 5.50 1311 1149 A 50 LEU HD2% A 27 ILE HA 1.0 0.0 4.67 1312 1150 A 51 LYS HB2 A 51 LYS HE2 1.0 0.0 3.86 1313 1150 A 51 LYS HB3 A 51 LYS HE2 1.0 0.0 3.86 1314 1150 A 51 LYS HE3 A 51 LYS HB2 1.0 0.0 3.86 1315 1150 A 51 LYS HB3 A 51 LYS HE3 1.0 0.0 3.86 1316 1151 A 49 TYR HA A 52 LYS HE2 1.0 0.0 4.97 1317 1151 A 49 TYR HA A 52 LYS HE3 1.0 0.0 4.97 1318 1152 A 41 LEU HA A 105 LYS HE2 1.0 0.0 4.87 1319 1152 A 105 LYS HE3 A 41 LEU HA 1.0 0.0 4.87 1320 1153 A 52 LYS HA A 52 LYS HD2 1.0 0.0 4.24 1321 1153 A 52 LYS HA A 52 LYS HD3 1.0 0.0 4.24 1322 1154 A 52 LYS H A 51 LYS HD2 1.0 0.0 5.50 1323 1154 A 52 LYS H A 51 LYS HD3 1.0 0.0 5.50 1324 1155 A 52 LYS H A 52 LYS HD2 1.0 0.0 5.50 1325 1155 A 52 LYS H A 52 LYS HD3 1.0 0.0 5.50 1326 1156 A 53 MET HE% A 61 TYR HB3 1.0 0.0 4.23 1327 1157 A 53 MET HE% A 51 LYS H 1.0 0.0 4.99 1328 1158 A 102 SER HA A 105 LYS HD2 1.0 0.0 4.88 1329 1158 A 102 SER HA A 105 LYS HD3 1.0 0.0 4.88 1330 1159 A 58 LEU HD1% A 50 LEU HD2% 1.0 0.0 4.28 1331 1160 A 58 LEU HD1% A 22 LYS HGy 1.0 0.0 4.93 1332 1161 A 58 LEU HD1% A 58 LEU HA 1.0 0.0 5.03 1333 1162 A 58 LEU HD1% A 53 MET H 1.0 0.0 5.26 1334 1163 A 58 LEU HD2% A 61 TYR HB3 1.0 0.0 5.14 1335 1164 A 58 LEU HD2% A 61 TYR HD% 1.0 0.0 4.94 1336 1165 A 59 GLU HA A 59 GLU HGx 1.0 0.0 4.05 1337 1166 A 60 GLU HA A 60 GLU HGx 1.0 0.0 4.18 1338 1167 A 74 TYR HA A 79 ASN HBx 1.0 0.0 4.95 1339 1168 A 89 TRP HH2 A 60 GLU HGx 1.0 0.0 5.09 1340 1169 A 64 LEU HB2 A 61 TYR HA 1.0 0.0 4.87 1341 1170 A 64 LEU HB3 A 61 TYR HA 1.0 0.0 4.69 1342 1171 A 50 LEU HD1% A 61 TYR HB2 1.0 0.0 5.27 1343 1172 A 60 GLU H A 61 TYR HB2 1.0 0.0 5.21 1344 1173 A 62 ASP H A 61 TYR HB3 1.0 0.0 5.26 1345 1174 A 89 TRP HH2 A 64 LEU HA 1.0 0.0 4.53 1346 1175 A 64 LEU HB3 A 89 TRP HH2 1.0 0.0 5.17 1347 1176 A 89 TRP HZ3 A 64 LEU HD1% 1.0 0.0 4.95 1348 1177 A 65 LEU H A 64 LEU HD1% 1.0 0.0 5.50 1349 1178 A 64 LEU HD1% A 89 TRP HE3 1.0 0.0 5.50 1350 1179 A 67 GLU H A 64 LEU HD1% 1.0 0.0 5.50 1351 1180 A 95 LEU H A 64 LEU HD1% 1.0 0.0 5.50 1352 1181 A 89 TRP HE1 A 64 LEU HD1% 1.0 0.0 5.03 1353 1182 A 65 LEU HD1% A 29 GLN HBx 1.0 0.0 4.20 1354 1183 A 65 LEU HD1% A 61 TYR HH 1.0 0.0 4.99 1355 1184 A 61 TYR HD% A 65 LEU HD2% 1.0 0.0 4.95 1356 1185 A 68 LEU HA A 68 LEU HD2% 1.0 0.0 3.63 1357 1186 A 72 ILE H A 69 ASP HA 1.0 0.0 5.04 1358 1187 A 76 ALA H A 72 ILE HA 1.0 0.0 5.10 1359 1188 A 67 GLU HB2 A 72 ILE HG2% 1.0 0.0 4.90 1360 1189 A 69 ASP HA A 72 ILE HG2% 1.0 0.0 5.10 1361 1190 A 72 ILE HD1% A 72 ILE HB 1.0 0.0 3.69 1362 1191 A 72 ILE HD1% A 33 ARG HE 1.0 0.0 5.00 1363 1192 A 94 LEU HD2% A 60 GLU HA 1.0 0.0 4.81 1364 1193 A 85 LEU HD1% A 75 TRP HB2 1.0 0.0 5.40 1365 1194 A 99 GLN HA A 76 ALA HA 1.0 0.0 5.09 1366 1195 A 76 ALA HB% A 73 TYR HA 1.0 0.0 4.02 1367 1196 A 78 LYS H A 77 THR HB 1.0 0.0 5.50 1368 1197 A 85 LEU H A 84 PRO HG2 1.0 0.0 5.07 1369 1197 A 85 LEU H A 84 PRO HG3 1.0 0.0 5.07 1370 1198 A 83 SER H A 84 PRO HDy 1.0 0.0 5.13 1371 1199 A 85 LEU HD1% A 85 LEU HBy 1.0 0.0 4.12 1372 1200 A 85 LEU HD1% A 90 ALA HB% 1.0 0.0 4.75 1373 1201 A 85 LEU HD2% A 85 LEU HBy 1.0 0.0 3.59 1374 1202 A 86 PRO HD2 A 85 LEU HD2% 1.0 0.0 5.03 1375 1203 A 86 PRO HD3 A 85 LEU HD2% 1.0 0.0 5.18 1376 1204 A 85 LEU HD2% A 89 TRP HA 1.0 0.0 5.12 1377 1205 A 86 PRO HB2 A 88 LYS HGy 1.0 0.0 5.23 1378 1206 A 89 TRP HD1 A 88 LYS HD2 1.0 0.0 5.14 1379 1206 A 89 TRP HD1 A 88 LYS HD3 1.0 0.0 5.14 1380 1207 A 88 LYS H A 88 LYS HD2 1.0 0.0 5.09 1381 1207 A 88 LYS H A 88 LYS HD3 1.0 0.0 5.09 1382 1208 A 90 ALA HB% A 92 SER H 1.0 0.0 4.93 1383 1209 A 93 LYS HA A 93 LYS HGx 1.0 0.0 4.14 1384 1210 A 94 LEU H A 94 LEU HG 1.0 0.0 5.50 1385 1211 A 95 LEU H A 94 LEU HG 1.0 0.0 5.50 1386 1212 A 94 LEU HD1% A 98 LEU HD1% 1.0 0.0 4.51 1387 1213 A 94 LEU HD1% A 64 LEU HD1% 1.0 0.0 4.86 1388 1214 A 94 LEU HD2% A 64 LEU HD1% 1.0 0.0 4.63 1389 1215 A 94 LEU HD2% A 60 GLU HGx 1.0 0.0 4.32 1390 1216 A 94 LEU HD2% A 60 GLU HBy 1.0 0.0 4.58 1391 1217 A 94 LEU HD2% A 60 GLU HGy 1.0 0.0 4.32 1392 1218 A 94 LEU HD2% A 61 TYR HB3 1.0 0.0 4.82 1393 1219 A 94 LEU HD2% A 89 TRP HH2 1.0 0.0 4.81 1394 1220 A 98 LEU HD2% A 95 LEU HA 1.0 0.0 5.11 1395 1221 A 94 LEU HD1% A 95 LEU HA 1.0 0.0 5.41 1396 1222 A 94 LEU HD2% A 95 LEU HA 1.0 0.0 5.50 1397 1223 A 95 LEU HB2 A 89 TRP HE3 1.0 0.0 5.04 1398 1224 A 95 LEU H A 95 LEU HG 1.0 0.0 4.82 1399 1225 A 99 GLN H A 95 LEU HG 1.0 0.0 5.16 1400 1226 A 95 LEU HB2 A 95 LEU HD1% 1.0 0.0 3.68 1401 1227 A 95 LEU HD1% A 99 GLN HGx 1.0 0.0 4.48 1402 1228 A 95 LEU HD1% A 99 GLN HGy 1.0 0.0 4.48 1403 1229 A 95 LEU HD1% A 89 TRP HE3 1.0 0.0 4.84 1404 1230 A 99 GLN H A 95 LEU HD1% 1.0 0.0 5.50 1405 1231 A 75 TRP HB2 A 95 LEU HD2% 1.0 0.0 4.63 1406 1232 A 41 LEU HD2% A 38 THR HA 1.0 0.0 4.32 1407 1233 A 95 LEU HA A 95 LEU HD2% 1.0 0.0 4.27 1408 1234 A 96 LYS HA A 99 GLN HB2 1.0 0.0 4.23 1409 1235 A 21 LYS HA A 21 LYS HE2 1.0 0.0 4.65 1410 1235 A 21 LYS HA A 21 LYS HE3 1.0 0.0 4.65 1411 1236 A 93 LYS HA A 93 LYS HE2 1.0 0.0 5.29 1412 1236 A 93 LYS HA A 93 LYS HE3 1.0 0.0 5.29 1413 1237 A 97 GLN HA A 97 GLN HGy 1.0 0.0 4.03 1414 1238 A 90 ALA H A 88 LYS HA 1.0 0.0 5.18 1415 1239 A 98 LEU HA A 101 PHE HD% 1.0 0.0 5.50 1416 1240 A 101 PHE H A 100 GLU HGx 1.0 0.0 5.03 1417 1241 A 100 GLU H A 100 GLU HGx 1.0 0.0 4.09 1418 1242 A 99 GLN HA A 102 SER HBx 1.0 0.0 4.82 1419 1243 A 105 LYS HA A 105 LYS HGy 1.0 0.0 4.17 1420 1244 A 105 LYS HA A 101 PHE HE% 1.0 0.0 4.98 1421 1245 A 106 GLU H A 105 LYS HGx 1.0 0.0 5.23 1422 1246 A 107 LYS H A 107 LYS HD2 1.0 0.0 4.81 1423 1246 A 107 LYS H A 107 LYS HD3 1.0 0.0 4.81 1424 1247 A 12 ILE HG2% A 13 LYS HA 1.0 0.0 4.59 1425 1248 A 14 ARG HA A 14 ARG HGx 1.0 0.0 4.25 1426 1249 A 18 PRO HG3 A 21 LYS HGx 1.0 0.0 4.87 1427 1249 A 21 LYS HGx A 18 PRO HG2 1.0 0.0 4.87 1428 1250 A 18 PRO HG3 A 21 LYS HGy 1.0 0.0 4.87 1429 1250 A 18 PRO HG2 A 21 LYS HGy 1.0 0.0 4.87 1430 1251 A 58 LEU HD1% A 19 LEU HG 1.0 0.0 4.61 1431 1252 A 19 LEU HD2% A 22 LYS HEy 1.0 0.0 5.11 1432 1253 A 26 LEU HD1% A 61 TYR HB3 1.0 0.0 4.59 1433 1254 A 98 LEU HD2% A 41 LEU HG 1.0 0.0 4.26 1434 1255 A 64 LEU H A 63 SER HBx 1.0 0.0 4.88 1435 1256 A 83 SER HB2 A 74 TYR HB2 1.0 0.0 5.00 1436 1257 A 86 PRO HB2 A 88 LYS HGx 1.0 0.0 5.23 1437 1258 A 94 LEU HD1% A 61 TYR HB3 1.0 0.0 4.67 1438 1259 A 94 LEU HD2% A 60 GLU HBx 1.0 0.0 4.58 1439 1260 A 97 GLN HB3 A 94 LEU HA 1.0 0.0 4.69 1440 1261 A 98 LEU HD2% A 76 ALA HA 1.0 0.0 4.56 1441 1262 A 28 TYR HE% A 29 GLN HGx 1.0 0.0 4.73 1442 1263 A 28 TYR HE% A 32 LYS HD2 1.0 0.0 3.69 1443 1263 A 32 LYS HD3 A 28 TYR HE% 1.0 0.0 3.69 1444 1264 A 28 TYR HE% A 32 LYS HG2 1.0 0.0 4.16 1445 1264 A 32 LYS HG3 A 28 TYR HE% 1.0 0.0 4.16 1446 1265 A 29 GLN H A 28 TYR HD% 1.0 0.0 3.95 1447 1266 A 28 TYR H A 28 TYR HD% 1.0 0.0 4.26 1448 1267 A 28 TYR HA A 28 TYR HD% 1.0 0.0 3.26 1449 1268 A 29 GLN HA A 28 TYR HD% 1.0 0.0 4.23 1450 1269 A 28 TYR HD% A 29 GLN HGy 1.0 0.0 4.20 1451 1270 A 28 TYR HD% A 29 GLN HGx 1.0 0.0 4.20 1452 1271 A 28 TYR HD% A 32 LYS HD2 1.0 0.0 4.15 1453 1271 A 32 LYS HD3 A 28 TYR HD% 1.0 0.0 4.15 1454 1272 A 53 MET HE% A 45 PHE HE% 1.0 0.0 4.76 1455 1273 A 45 PHE HD% A 101 PHE HB2 1.0 0.0 4.62 1456 1274 A 97 GLN HB2 A 45 PHE HZ 1.0 0.0 4.29 1457 1275 A 97 GLN HB3 A 45 PHE HZ 1.0 0.0 4.53 1458 1276 A 49 TYR HE% A 101 PHE HD% 1.0 0.0 3.37 1459 1277 A 49 TYR HE% A 101 PHE HB2 1.0 0.0 3.85 1460 1278 A 49 TYR HE% A 45 PHE HA 1.0 0.0 4.16 1461 1279 A 49 TYR HE% A 48 LYS HDx 1.0 0.0 4.14 1462 1280 A 49 TYR H A 49 TYR HD% 1.0 0.0 3.56 1463 1281 A 49 TYR HD% A 49 TYR HA 1.0 0.0 3.43 1464 1282 A 45 PHE HA A 49 TYR HD% 1.0 0.0 3.84 1465 1283 A 61 TYR HH A 61 TYR HE% 1.0 0.0 3.38 1466 1284 A 26 LEU HA A 61 TYR HE% 1.0 0.0 5.12 1467 1285 A 61 TYR HA A 61 TYR HE% 1.0 0.0 5.50 1468 1286 A 26 LEU HB2 A 61 TYR HE% 1.0 0.0 4.71 1469 1287 A 26 LEU HB3 A 61 TYR HE% 1.0 0.0 3.70 1470 1288 A 94 LEU HD1% A 61 TYR HE% 1.0 0.0 3.76 1471 1289 A 26 LEU HD2% A 61 TYR HE% 1.0 0.0 4.11 1472 1290 A 42 LEU HD2% A 61 TYR HE% 1.0 0.0 3.48 1473 1291 A 50 LEU HD1% A 61 TYR HE% 1.0 0.0 3.45 1474 1292 A 61 TYR HE% A 65 LEU HD2% 1.0 0.0 3.64 1475 1293 A 61 TYR H A 61 TYR HD% 1.0 0.0 4.38 1476 1294 A 61 TYR HD% A 61 TYR HH 1.0 0.0 4.65 1477 1295 A 61 TYR HD% A 61 TYR HA 1.0 0.0 3.32 1478 1296 A 26 LEU HB2 A 61 TYR HD% 1.0 0.0 4.30 1479 1297 A 26 LEU HB3 A 61 TYR HD% 1.0 0.0 3.70 1480 1298 A 94 LEU HD1% A 61 TYR HD% 1.0 0.0 3.46 1481 1299 A 94 LEU HD2% A 61 TYR HD% 1.0 0.0 3.59 1482 1300 A 50 LEU HD1% A 61 TYR HD% 1.0 0.0 3.55 1483 1301 A 70 TRP HE3 A 70 TRP HA 1.0 0.0 4.03 1484 1302 A 64 LEU HA A 89 TRP HZ2 1.0 0.0 3.50 1485 1303 A 35 ILE HG2% A 70 TRP HZ2 1.0 0.0 4.17 1486 1304 A 35 ILE HD1% A 70 TRP HZ2 1.0 0.0 4.40 1487 1305 A 70 TRP H A 70 TRP HD1 1.0 0.0 4.10 1488 1306 A 70 TRP HB2 A 70 TRP HD1 1.0 0.0 3.80 1489 1307 A 70 TRP HH2 A 37 GLU HG2 1.0 0.0 4.55 1490 1307 A 37 GLU HG3 A 70 TRP HH2 1.0 0.0 4.55 1491 1308 A 70 TRP HH2 A 37 GLU HB2 1.0 0.0 4.60 1492 1308 A 37 GLU HB3 A 70 TRP HH2 1.0 0.0 4.60 1493 1309 A 35 ILE HG2% A 70 TRP HH2 1.0 0.0 4.64 1494 1310 A 73 TYR HE% A 41 LEU HB2 1.0 0.0 4.12 1495 1310 A 41 LEU HB3 A 73 TYR HE% 1.0 0.0 4.12 1496 1311 A 41 LEU HD1% A 73 TYR HE% 1.0 0.0 4.58 1497 1312 A 77 THR HG2% A 73 TYR HE% 1.0 0.0 3.69 1498 1313 A 73 TYR H A 73 TYR HD% 1.0 0.0 4.20 1499 1314 A 74 TYR HD% A 73 TYR HD% 1.0 0.0 4.36 1500 1315 A 38 THR HA A 73 TYR HD% 1.0 0.0 4.55 1501 1316 A 73 TYR HA A 73 TYR HD% 1.0 0.0 3.64 1502 1317 A 73 TYR HD% A 41 LEU HB2 1.0 0.0 4.40 1503 1317 A 41 LEU HB3 A 73 TYR HD% 1.0 0.0 4.40 1504 1318 A 38 THR HG2% A 73 TYR HD% 1.0 0.0 4.51 1505 1319 A 41 LEU HD2% A 73 TYR HD% 1.0 0.0 3.59 1506 1320 A 74 TYR HE% A 79 ASN HD21 1.0 0.0 4.02 1507 1321 A 74 TYR HA A 74 TYR HE% 1.0 0.0 4.42 1508 1322 A 74 TYR HE% A 70 TRP HB3 1.0 0.0 4.03 1509 1323 A 70 TRP HB2 A 74 TYR HE% 1.0 0.0 4.60 1510 1324 A 82 THR HG2% A 74 TYR HE% 1.0 0.0 3.62 1511 1325 A 74 TYR HD% A 74 TYR HA 1.0 0.0 3.36 1512 1326 A 74 TYR HD% A 83 SER HB3 1.0 0.0 4.17 1513 1327 A 74 TYR HD% A 71 ASP HA 1.0 0.0 4.07 1514 1328 A 83 SER HB2 A 74 TYR HD% 1.0 0.0 3.98 1515 1329 A 74 TYR HD% A 79 ASN HBx 1.0 0.0 4.70 1516 1330 A 82 THR HG2% A 74 TYR HD% 1.0 0.0 4.39 1517 1331 A 75 TRP HB2 A 75 TRP HE3 1.0 0.0 4.18 1518 1332 A 75 TRP HE3 A 72 ILE HA 1.0 0.0 4.49 1519 1333 A 95 LEU HD1% A 75 TRP HE3 1.0 0.0 4.03 1520 1334 A 85 LEU HD1% A 75 TRP HE3 1.0 0.0 4.79 1521 1335 A 86 PRO HD3 A 75 TRP HZ2 1.0 0.0 3.84 1522 1336 A 86 PRO HD2 A 75 TRP HZ2 1.0 0.0 4.05 1523 1337 A 75 TRP HZ2 A 86 PRO HG2 1.0 0.0 3.62 1524 1337 A 86 PRO HG3 A 75 TRP HZ2 1.0 0.0 3.62 1525 1338 A 75 TRP HH2 A 86 PRO HG2 1.0 0.0 3.96 1526 1338 A 86 PRO HG3 A 75 TRP HH2 1.0 0.0 3.96 1527 1339 A 85 LEU HD1% A 75 TRP HD1 1.0 0.0 4.53 1528 1340 A 85 LEU HD1% A 75 TRP HH2 1.0 0.0 5.27 1529 1341 A 75 TRP HZ3 A 72 ILE HA 1.0 0.0 4.41 1530 1342 A 85 LEU HD1% A 75 TRP HZ3 1.0 0.0 5.05 1531 1343 A 75 TRP HD1 A 80 PHE HE% 1.0 0.0 4.11 1532 1344 A 85 LEU HD1% A 80 PHE HE% 1.0 0.0 4.01 1533 1345 A 45 PHE HD% A 101 PHE HD% 1.0 0.0 4.33 1534 1346 A 80 PHE HA A 80 PHE HD% 1.0 0.0 3.76 1535 1347 A 89 TRP HA A 89 TRP HE3 1.0 0.0 3.69 1536 1348 A 89 TRP HE3 A 92 SER HBy 1.0 0.0 4.13 1537 1349 A 89 TRP HE3 A 92 SER HBx 1.0 0.0 4.13 1538 1350 A 89 TRP HZ2 A 63 SER HBx 1.0 0.0 4.24 1539 1351 A 64 LEU HB2 A 89 TRP HZ2 1.0 0.0 4.34 1540 1352 A 64 LEU HD1% A 89 TRP HZ2 1.0 0.0 4.10 1541 1353 A 89 TRP H A 89 TRP HD1 1.0 0.0 4.40 1542 1354 A 86 PRO HD2 A 89 TRP HD1 1.0 0.0 3.89 1543 1355 A 89 TRP HD1 A 86 PRO HG2 1.0 0.0 3.61 1544 1355 A 86 PRO HG3 A 89 TRP HD1 1.0 0.0 3.61 1545 1356 A 86 PRO HB2 A 89 TRP HD1 1.0 0.0 4.10 1546 1357 A 94 LEU HD2% A 89 TRP HZ3 1.0 0.0 4.45 1547 1358 A 64 LEU H A 89 TRP HH2 1.0 0.0 4.21 1548 1359 A 89 TRP HH2 A 63 SER HBy 1.0 0.0 4.40 1549 1360 A 89 TRP HH2 A 63 SER HBx 1.0 0.0 4.40 1550 1361 A 64 LEU HB2 A 89 TRP HH2 1.0 0.0 4.48 1551 1362 A 45 PHE H A 101 PHE HE% 1.0 0.0 4.37 1552 1363 A 45 PHE HD% A 101 PHE HE% 1.0 0.0 4.62 1553 1364 A 101 PHE HE% A 48 LYS HDx 1.0 0.0 4.53 1554 1365 A 101 PHE HE% A 105 LYS HD2 1.0 0.0 4.78 1555 1365 A 105 LYS HD3 A 101 PHE HE% 1.0 0.0 4.78 1556 1366 A 101 PHE HD% A 102 SER HA 1.0 0.0 4.25 1557 1367 A 101 PHE HZ A 44 GLY HAy 1.0 0.0 4.26 1558 1368 A 101 PHE HZ A 45 PHE HA 1.0 0.0 4.56 1559 1369 A 101 PHE HZ A 105 LYS HD2 1.0 0.0 4.44 1560 1369 A 101 PHE HZ A 105 LYS HD3 1.0 0.0 4.44 1561 1370 A 28 TYR HD% A 25 ARG HG2 1.0 0.0 4.44 1562 1370 A 25 ARG HG3 A 28 TYR HD% 1.0 0.0 4.44 1563 1371 A 28 TYR HE% A 29 GLN HGy 1.0 0.0 4.73 1564 1372 A 49 TYR HD% A 48 LYS HDx 1.0 0.0 4.31 1565 1373 A 49 TYR HD% A 48 LYS HDy 1.0 0.0 4.31 1566 1374 A 49 TYR HE% A 48 LYS HDy 1.0 0.0 4.14 1567 1375 A 97 GLN HB2 A 49 TYR HE% 1.0 0.0 4.52 1568 1376 A 49 TYR HE% A 101 PHE HB3 1.0 0.0 4.61 1569 1377 A 61 TYR HD% A 64 LEU HD2% 1.0 0.0 3.93 1570 1378 A 61 TYR HD% A 65 LEU HD1% 1.0 0.0 3.93 1571 1379 A 61 TYR HD% A 26 LEU HD2% 1.0 0.0 3.46 1572 1380 A 61 TYR HD% A 64 LEU HB3 1.0 0.0 4.28 1573 1381 A 65 LEU HD1% A 61 TYR HE% 1.0 0.0 3.46 1574 1382 A 46 ALA HB% A 61 TYR HE% 1.0 0.0 3.86 1575 1383 A 53 MET HE% A 61 TYR HE% 1.0 0.0 4.41 1576 1384 A 61 TYR HE% A 30 SER HBx 1.0 0.0 4.79 1577 1385 A 46 ALA HA A 61 TYR HE% 1.0 0.0 5.43 1578 1386 A 61 TYR HE% A 30 SER HBy 1.0 0.0 4.79 1579 1387 A 77 THR HG2% A 73 TYR HD% 1.0 0.0 4.19 1580 1388 A 74 TYR H A 73 TYR HD% 1.0 0.0 4.79 1581 1389 A 41 LEU HD2% A 73 TYR HE% 1.0 0.0 3.85 1582 1390 A 74 TYR HD% A 79 ASN HD21 1.0 0.0 3.97 1583 1391 A 82 THR HB A 74 TYR HE% 1.0 0.0 5.29 1584 1392 A 83 SER HB2 A 74 TYR HE% 1.0 0.0 4.68 1585 1393 A 80 PHE HD% A 84 PRO HA 1.0 0.0 4.75 1586 1394 A 80 PHE HZ A 78 LYS HG2 1.0 0.0 4.62 1587 1394 A 78 LYS HG3 A 80 PHE HZ 1.0 0.0 4.62 1588 1395 A 85 LEU HD2% A 80 PHE HZ 1.0 0.0 4.54 1589 1396 A 101 PHE HD% A 48 LYS HDx 1.0 0.0 4.77 1590 1397 A 101 PHE HD% A 105 LYS HD2 1.0 0.0 5.45 1591 1397 A 101 PHE HD% A 105 LYS HD3 1.0 0.0 5.45 1592 1398 A 101 PHE HE% A 48 LYS HDy 1.0 0.0 4.53 1593 1399 A 101 PHE HE% A 105 LYS HB2 1.0 0.0 5.13 1594 1399 A 105 LYS HB3 A 101 PHE HE% 1.0 0.0 5.13 1595 1400 A 45 PHE HA A 101 PHE HE% 1.0 0.0 4.65 1596 1401 A 41 LEU HA A 101 PHE HE% 1.0 0.0 4.66 1597 1402 A 101 PHE HZ A 44 GLY HAx 1.0 0.0 4.26 1598 1403 A 35 ILE HG2% A 70 TRP HD1 1.0 0.0 4.67 1599 1404 A 89 TRP HE1 A 75 TRP HH2 1.0 0.0 4.54 1600 1405 A 67 GLU HB3 A 75 TRP HZ3 1.0 0.0 4.64 1601 1406 A 86 PRO HD3 A 89 TRP HD1 1.0 0.0 4.70 1602 1407 A 75 TRP HZ3 A 89 TRP HD1 1.0 0.0 4.65 1603 1408 A 89 TRP HZ2 A 63 SER HBy 1.0 0.0 4.24 1604 1409 A 64 LEU H A 89 TRP HZ2 1.0 0.0 4.63 1605 1410 A 49 TYR HE% A 101 PHE HE% 1.0 0.0 4.12 1606 1411 A 26 LEU HD1% A 61 TYR HD% 1.0 0.0 3.48 1607 1412 A 61 TYR HD% A 64 LEU HB2 1.0 0.0 4.76 1608 1413 A 61 TYR HD% A 65 LEU HG 1.0 0.0 5.09 1609 1414 A 46 ALA HB% A 61 TYR HD% 1.0 0.0 4.62 1610 1415 A 61 TYR HD% A 94 LEU HG 1.0 0.0 5.07 1611 1416 A 64 LEU HD2% A 61 TYR HE% 1.0 0.0 4.04 1612 1417 A 83 SER HB3 A 75 TRP HD1 1.0 0.0 4.60 1613 1418 A 75 TRP HD1 A 80 PHE HD% 1.0 0.0 3.87 1614 1419 A 85 LEU HA A 75 TRP HZ2 1.0 0.0 4.80 1615 1420 A 85 LEU HD1% A 80 PHE HD% 1.0 0.0 4.73 1616 1421 A 45 PHE H A 101 PHE HZ 1.0 0.0 4.58 1617 1422 A 35 ILE HD1% A 70 TRP HD1 1.0 0.0 4.89 1618 1423 A 12 ILE H A 11 MET HBx 1.0 0.0 4.19 1619 1423 A 12 ILE H A 11 MET HBy 1.0 0.0 4.19 1620 1424 A 12 ILE H A 11 MET HGx 1.0 0.0 5.11 1621 1424 A 12 ILE H A 11 MET HGy 1.0 0.0 5.11 1622 1425 A 12 ILE HA A 12 ILE HG1x 1.0 0.0 3.72 1623 1425 A 12 ILE HA A 12 ILE HG1y 1.0 0.0 3.72 1624 1426 A 12 ILE HG2% A 12 ILE HG1x 1.0 0.0 3.00 1625 1426 A 12 ILE HG2% A 12 ILE HG1y 1.0 0.0 3.00 1626 1427 A 13 LYS H A 13 LYS HGx 1.0 0.0 4.16 1627 1427 A 13 LYS H A 13 LYS HGy 1.0 0.0 4.16 1628 1428 A 13 LYS HE3 A 13 LYS HGx 1.0 0.0 3.66 1629 1428 A 13 LYS HE2 A 13 LYS HGx 1.0 0.0 3.66 1630 1428 A 13 LYS HGy A 13 LYS HE2 1.0 0.0 3.66 1631 1428 A 13 LYS HGy A 13 LYS HE3 1.0 0.0 3.66 1632 1429 A 14 ARG H A 13 LYS HGx 1.0 0.0 4.73 1633 1429 A 14 ARG H A 13 LYS HGy 1.0 0.0 4.73 1634 1430 A 14 ARG H A 14 ARG HGy 1.0 0.0 4.26 1635 1430 A 14 ARG H A 14 ARG HGx 1.0 0.0 4.26 1636 1431 A 14 ARG HA A 14 ARG HGy 1.0 0.0 3.61 1637 1431 A 14 ARG HA A 14 ARG HGx 1.0 0.0 3.61 1638 1432 A 17 GLU H A 16 ASN HBy 1.0 0.0 4.24 1639 1432 A 17 GLU H A 16 ASN HBx 1.0 0.0 4.24 1640 1433 A 17 GLU H A 17 GLU HGx 1.0 0.0 4.68 1641 1433 A 17 GLU H A 17 GLU HGy 1.0 0.0 4.68 1642 1434 A 17 GLU H A 18 PRO HDx 1.0 0.0 5.03 1643 1434 A 17 GLU H A 18 PRO HDy 1.0 0.0 5.03 1644 1435 A 17 GLU HA A 18 PRO HDx 1.0 0.0 3.15 1645 1435 A 17 GLU HA A 18 PRO HDy 1.0 0.0 3.15 1646 1436 A 17 GLU HBx A 18 PRO HDx 1.0 0.0 4.61 1647 1436 A 18 PRO HDy A 17 GLU HBx 1.0 0.0 4.61 1648 1436 A 18 PRO HDy A 17 GLU HBy 1.0 0.0 4.61 1649 1436 A 17 GLU HBy A 18 PRO HDx 1.0 0.0 4.61 1650 1437 A 17 GLU HGy A 18 PRO HDx 1.0 0.0 4.50 1651 1437 A 17 GLU HGx A 18 PRO HDx 1.0 0.0 4.50 1652 1437 A 18 PRO HDy A 17 GLU HGx 1.0 0.0 4.50 1653 1437 A 17 GLU HGy A 18 PRO HDy 1.0 0.0 4.50 1654 1438 A 22 LYS H A 17 GLU HGx 1.0 0.0 4.52 1655 1438 A 22 LYS H A 17 GLU HGy 1.0 0.0 4.52 1656 1439 A 17 GLU HGy A 22 LYS HBx 1.0 0.0 3.99 1657 1439 A 17 GLU HGx A 22 LYS HBx 1.0 0.0 3.99 1658 1439 A 22 LYS HBy A 17 GLU HGx 1.0 0.0 3.99 1659 1439 A 17 GLU HGy A 22 LYS HBy 1.0 0.0 3.99 1660 1440 A 18 PRO HA A 19 LEU HBy 1.0 0.0 4.85 1661 1440 A 18 PRO HA A 19 LEU HBx 1.0 0.0 4.85 1662 1441 A 18 PRO HB3 A 21 LYS HGy 1.0 0.0 5.16 1663 1441 A 18 PRO HB3 A 21 LYS HGx 1.0 0.0 5.16 1664 1442 A 18 PRO HG3 A 21 LYS HGy 1.0 0.0 4.04 1665 1442 A 18 PRO HG2 A 21 LYS HGy 1.0 0.0 4.04 1666 1442 A 21 LYS HGx A 18 PRO HG2 1.0 0.0 4.04 1667 1442 A 18 PRO HG3 A 21 LYS HGx 1.0 0.0 4.04 1668 1443 A 21 LYS H A 18 PRO HDx 1.0 0.0 4.93 1669 1443 A 21 LYS H A 18 PRO HDy 1.0 0.0 4.93 1670 1444 A 18 PRO HDy A 21 LYS HBx 1.0 0.0 3.72 1671 1444 A 18 PRO HDx A 21 LYS HBx 1.0 0.0 3.72 1672 1444 A 21 LYS HBy A 18 PRO HDx 1.0 0.0 3.72 1673 1444 A 18 PRO HDy A 21 LYS HBy 1.0 0.0 3.72 1674 1445 A 18 PRO HDx A 21 LYS HGy 1.0 0.0 3.89 1675 1445 A 18 PRO HDy A 21 LYS HGy 1.0 0.0 3.89 1676 1445 A 21 LYS HGx A 18 PRO HDx 1.0 0.0 3.89 1677 1445 A 18 PRO HDy A 21 LYS HGx 1.0 0.0 3.89 1678 1446 A 18 PRO HDy A 21 LYS HD2 1.0 0.0 3.83 1679 1446 A 18 PRO HDx A 21 LYS HD2 1.0 0.0 3.83 1680 1446 A 21 LYS HD3 A 18 PRO HDx 1.0 0.0 3.83 1681 1446 A 21 LYS HD3 A 18 PRO HDy 1.0 0.0 3.83 1682 1447 A 19 LEU H A 19 LEU HBy 1.0 0.0 3.19 1683 1447 A 19 LEU H A 19 LEU HBx 1.0 0.0 3.19 1684 1448 A 19 LEU HA A 22 LYS HBx 1.0 0.0 3.84 1685 1448 A 19 LEU HA A 22 LYS HBy 1.0 0.0 3.84 1686 1449 A 19 LEU HD1% A 19 LEU HBy 1.0 0.0 3.40 1687 1449 A 19 LEU HD1% A 19 LEU HBx 1.0 0.0 3.40 1688 1450 A 19 LEU HD2% A 19 LEU HBy 1.0 0.0 3.10 1689 1450 A 19 LEU HD2% A 19 LEU HBx 1.0 0.0 3.10 1690 1451 A 20 ASP H A 19 LEU HBy 1.0 0.0 3.50 1691 1451 A 20 ASP H A 19 LEU HBx 1.0 0.0 3.50 1692 1452 A 19 LEU HD1% A 22 LYS HDx 1.0 0.0 3.78 1693 1452 A 19 LEU HD1% A 22 LYS HDy 1.0 0.0 3.78 1694 1453 A 19 LEU HD1% A 55 GLU HBx 1.0 0.0 3.58 1695 1453 A 19 LEU HD1% A 55 GLU HBy 1.0 0.0 3.58 1696 1454 A 19 LEU HD1% A 55 GLU HGy 1.0 0.0 3.61 1697 1454 A 19 LEU HD1% A 55 GLU HGx 1.0 0.0 3.61 1698 1455 A 19 LEU HD2% A 55 GLU HBx 1.0 0.0 3.95 1699 1455 A 19 LEU HD2% A 55 GLU HBy 1.0 0.0 3.95 1700 1456 A 19 LEU HD2% A 55 GLU HGy 1.0 0.0 3.84 1701 1456 A 19 LEU HD2% A 55 GLU HGx 1.0 0.0 3.84 1702 1457 A 20 ASP H A 20 ASP HBy 1.0 0.0 3.33 1703 1457 A 20 ASP H A 20 ASP HBx 1.0 0.0 3.33 1704 1458 A 20 ASP H A 21 LYS HBx 1.0 0.0 5.04 1705 1458 A 20 ASP H A 21 LYS HBy 1.0 0.0 5.04 1706 1459 A 20 ASP H A 22 LYS HBx 1.0 0.0 5.34 1707 1459 A 20 ASP H A 22 LYS HBy 1.0 0.0 5.34 1708 1460 A 20 ASP HA A 23 ARG HBy 1.0 0.0 4.19 1709 1460 A 20 ASP HA A 23 ARG HBx 1.0 0.0 4.19 1710 1461 A 21 LYS HA A 21 LYS HGy 1.0 0.0 3.51 1711 1461 A 21 LYS HA A 21 LYS HGx 1.0 0.0 3.51 1712 1462 A 21 LYS HBx A 21 LYS HD2 1.0 0.0 3.40 1713 1462 A 21 LYS HBy A 21 LYS HD2 1.0 0.0 3.40 1714 1462 A 21 LYS HD3 A 21 LYS HBx 1.0 0.0 3.40 1715 1462 A 21 LYS HD3 A 21 LYS HBy 1.0 0.0 3.40 1716 1463 A 21 LYS HE3 A 21 LYS HGy 1.0 0.0 3.46 1717 1463 A 21 LYS HE2 A 21 LYS HGy 1.0 0.0 3.46 1718 1463 A 21 LYS HGx A 21 LYS HE2 1.0 0.0 3.46 1719 1463 A 21 LYS HE3 A 21 LYS HGx 1.0 0.0 3.46 1720 1464 A 22 LYS H A 21 LYS HGy 1.0 0.0 5.11 1721 1464 A 22 LYS H A 21 LYS HGx 1.0 0.0 5.11 1722 1465 A 22 LYS H A 22 LYS HBx 1.0 0.0 3.45 1723 1465 A 22 LYS H A 22 LYS HBy 1.0 0.0 3.45 1724 1466 A 22 LYS H A 22 LYS HGy 1.0 0.0 4.23 1725 1466 A 22 LYS H A 22 LYS HGx 1.0 0.0 4.23 1726 1467 A 22 LYS HA A 22 LYS HGy 1.0 0.0 3.57 1727 1467 A 22 LYS HA A 22 LYS HGx 1.0 0.0 3.57 1728 1468 A 22 LYS HA A 25 ARG HBy 1.0 0.0 3.94 1729 1468 A 22 LYS HA A 25 ARG HBx 1.0 0.0 3.94 1730 1469 A 23 ARG H A 22 LYS HGy 1.0 0.0 3.94 1731 1469 A 23 ARG H A 22 LYS HGx 1.0 0.0 3.94 1732 1470 A 26 LEU H A 22 LYS HGy 1.0 0.0 4.74 1733 1470 A 26 LEU H A 22 LYS HGx 1.0 0.0 4.74 1734 1471 A 26 LEU HD1% A 22 LYS HGy 1.0 0.0 3.48 1735 1471 A 26 LEU HD1% A 22 LYS HGx 1.0 0.0 3.48 1736 1472 A 26 LEU HD2% A 22 LYS HGy 1.0 0.0 5.04 1737 1472 A 26 LEU HD2% A 22 LYS HGx 1.0 0.0 5.04 1738 1473 A 58 LEU HD1% A 22 LYS HGy 1.0 0.0 4.31 1739 1473 A 58 LEU HD1% A 22 LYS HGx 1.0 0.0 4.31 1740 1474 A 26 LEU HG A 22 LYS HDx 1.0 0.0 4.34 1741 1474 A 26 LEU HG A 22 LYS HDy 1.0 0.0 4.34 1742 1475 A 26 LEU HD1% A 22 LYS HDx 1.0 0.0 4.37 1743 1475 A 26 LEU HD1% A 22 LYS HDy 1.0 0.0 4.37 1744 1476 A 26 LEU HD2% A 22 LYS HDx 1.0 0.0 5.34 1745 1476 A 26 LEU HD2% A 22 LYS HDy 1.0 0.0 5.34 1746 1477 A 58 LEU HB3 A 22 LYS HDx 1.0 0.0 4.25 1747 1477 A 58 LEU HB3 A 22 LYS HDy 1.0 0.0 4.25 1748 1478 A 58 LEU HD1% A 22 LYS HDx 1.0 0.0 4.06 1749 1478 A 58 LEU HD1% A 22 LYS HDy 1.0 0.0 4.06 1750 1479 A 26 LEU HG A 22 LYS HEy 1.0 0.0 4.61 1751 1479 A 26 LEU HG A 22 LYS HEx 1.0 0.0 4.61 1752 1480 A 26 LEU HD1% A 22 LYS HEy 1.0 0.0 4.15 1753 1480 A 26 LEU HD1% A 22 LYS HEx 1.0 0.0 4.15 1754 1481 A 26 LEU HD2% A 22 LYS HEy 1.0 0.0 5.34 1755 1481 A 26 LEU HD2% A 22 LYS HEx 1.0 0.0 5.34 1756 1482 A 58 LEU HB2 A 22 LYS HEy 1.0 0.0 4.56 1757 1482 A 58 LEU HB2 A 22 LYS HEx 1.0 0.0 4.56 1758 1483 A 23 ARG H A 23 ARG HBy 1.0 0.0 3.05 1759 1483 A 23 ARG H A 23 ARG HBx 1.0 0.0 3.05 1760 1484 A 23 ARG H A 23 ARG HGy 1.0 0.0 4.05 1761 1484 A 23 ARG H A 23 ARG HGx 1.0 0.0 4.05 1762 1485 A 23 ARG HA A 23 ARG HGy 1.0 0.0 3.72 1763 1485 A 23 ARG HA A 23 ARG HGx 1.0 0.0 3.72 1764 1486 A 23 ARG HA A 50 LEU HBy 1.0 0.0 4.35 1765 1486 A 23 ARG HA A 50 LEU HBx 1.0 0.0 4.35 1766 1487 A 23 ARG HBx A 23 ARG HDy 1.0 0.0 3.32 1767 1487 A 23 ARG HBy A 23 ARG HDy 1.0 0.0 3.32 1768 1487 A 23 ARG HDx A 23 ARG HBy 1.0 0.0 3.32 1769 1487 A 23 ARG HBx A 23 ARG HDx 1.0 0.0 3.32 1770 1488 A 24 ALA H A 23 ARG HBy 1.0 0.0 3.41 1771 1488 A 24 ALA H A 23 ARG HBx 1.0 0.0 3.41 1772 1489 A 24 ALA HA A 23 ARG HBy 1.0 0.0 4.65 1773 1489 A 24 ALA HA A 23 ARG HBx 1.0 0.0 4.65 1774 1490 A 24 ALA H A 23 ARG HGy 1.0 0.0 5.02 1775 1490 A 24 ALA H A 23 ARG HGx 1.0 0.0 5.02 1776 1491 A 27 ILE HD1% A 23 ARG HGy 1.0 0.0 4.04 1777 1491 A 27 ILE HD1% A 23 ARG HGx 1.0 0.0 4.04 1778 1492 A 50 LEU HD2% A 23 ARG HGy 1.0 0.0 3.91 1779 1492 A 50 LEU HD2% A 23 ARG HGx 1.0 0.0 3.91 1780 1493 A 58 LEU HD1% A 23 ARG HGy 1.0 0.0 4.35 1781 1493 A 58 LEU HD1% A 23 ARG HGx 1.0 0.0 4.35 1782 1494 A 58 LEU HD2% A 23 ARG HGy 1.0 0.0 4.10 1783 1494 A 58 LEU HD2% A 23 ARG HGx 1.0 0.0 4.10 1784 1495 A 27 ILE HD1% A 23 ARG HDy 1.0 0.0 4.67 1785 1495 A 27 ILE HD1% A 23 ARG HDx 1.0 0.0 4.67 1786 1496 A 50 LEU HD2% A 23 ARG HDy 1.0 0.0 4.57 1787 1496 A 50 LEU HD2% A 23 ARG HDx 1.0 0.0 4.57 1788 1497 A 51 LYS HA A 23 ARG HDy 1.0 0.0 3.86 1789 1497 A 51 LYS HA A 23 ARG HDx 1.0 0.0 3.86 1790 1498 A 25 ARG HA A 28 TYR HBy 1.0 0.0 4.16 1791 1498 A 25 ARG HA A 28 TYR HBx 1.0 0.0 4.16 1792 1499 A 26 LEU H A 25 ARG HBy 1.0 0.0 3.61 1793 1499 A 26 LEU H A 25 ARG HBx 1.0 0.0 3.61 1794 1500 A 26 LEU HD2% A 25 ARG HBy 1.0 0.0 4.49 1795 1500 A 26 LEU HD2% A 25 ARG HBx 1.0 0.0 4.49 1796 1501 A 25 ARG HG2 A 29 GLN HGy 1.0 0.0 4.99 1797 1501 A 25 ARG HG3 A 29 GLN HGy 1.0 0.0 4.99 1798 1501 A 29 GLN HGx A 25 ARG HG2 1.0 0.0 4.99 1799 1501 A 25 ARG HG3 A 29 GLN HGx 1.0 0.0 4.99 1800 1502 A 26 LEU HA A 29 GLN HGy 1.0 0.0 4.84 1801 1502 A 26 LEU HA A 29 GLN HGx 1.0 0.0 4.84 1802 1503 A 26 LEU HD1% A 62 ASP HBy 1.0 0.0 4.52 1803 1503 A 26 LEU HD1% A 62 ASP HBx 1.0 0.0 4.52 1804 1504 A 26 LEU HD2% A 62 ASP HBy 1.0 0.0 3.65 1805 1504 A 26 LEU HD2% A 62 ASP HBx 1.0 0.0 3.65 1806 1505 A 26 LEU HD2% A 65 LEU HBy 1.0 0.0 5.34 1807 1505 A 26 LEU HD2% A 65 LEU HBx 1.0 0.0 5.34 1808 1506 A 27 ILE HA A 30 SER HBx 1.0 0.0 4.60 1809 1506 A 27 ILE HA A 30 SER HBy 1.0 0.0 4.60 1810 1507 A 27 ILE HG2% A 30 SER HBx 1.0 0.0 4.81 1811 1507 A 27 ILE HG2% A 30 SER HBy 1.0 0.0 4.81 1812 1508 A 27 ILE HG12 A 50 LEU HBy 1.0 0.0 4.42 1813 1508 A 27 ILE HG12 A 50 LEU HBx 1.0 0.0 4.42 1814 1509 A 27 ILE HD1% A 50 LEU HBy 1.0 0.0 3.74 1815 1509 A 27 ILE HD1% A 50 LEU HBx 1.0 0.0 3.74 1816 1510 A 28 TYR HA A 31 ARG HBx 1.0 0.0 4.72 1817 1510 A 28 TYR HA A 31 ARG HBy 1.0 0.0 4.72 1818 1511 A 29 GLN H A 28 TYR HBy 1.0 0.0 3.81 1819 1511 A 29 GLN H A 28 TYR HBx 1.0 0.0 3.81 1820 1512 A 28 TYR HD% A 29 GLN HGy 1.0 0.0 3.53 1821 1512 A 28 TYR HD% A 29 GLN HGx 1.0 0.0 3.53 1822 1513 A 28 TYR HE% A 29 GLN HGy 1.0 0.0 4.13 1823 1513 A 28 TYR HE% A 29 GLN HGx 1.0 0.0 4.13 1824 1514 A 28 TYR HE% A 32 LYS HEy 1.0 0.0 4.08 1825 1514 A 28 TYR HE% A 32 LYS HEx 1.0 0.0 4.08 1826 1515 A 29 GLN H A 29 GLN HBx 1.0 0.0 3.58 1827 1515 A 29 GLN H A 29 GLN HBy 1.0 0.0 3.58 1828 1516 A 29 GLN H A 29 GLN HGy 1.0 0.0 3.67 1829 1516 A 29 GLN H A 29 GLN HGx 1.0 0.0 3.67 1830 1517 A 29 GLN HA A 29 GLN HGy 1.0 0.0 3.68 1831 1517 A 29 GLN HA A 29 GLN HGx 1.0 0.0 3.68 1832 1518 A 29 GLN HE21 A 29 GLN HBx 1.0 0.0 4.49 1833 1518 A 29 GLN HE21 A 29 GLN HBy 1.0 0.0 4.49 1834 1519 A 65 LEU HD1% A 29 GLN HBx 1.0 0.0 3.69 1835 1519 A 65 LEU HD1% A 29 GLN HBy 1.0 0.0 3.69 1836 1520 A 65 LEU HD2% A 29 GLN HBx 1.0 0.0 4.27 1837 1520 A 65 LEU HD2% A 29 GLN HBy 1.0 0.0 4.27 1838 1521 A 29 GLN HGx A 32 LYS HD2 1.0 0.0 4.85 1839 1521 A 29 GLN HGy A 32 LYS HD2 1.0 0.0 4.85 1840 1521 A 32 LYS HD3 A 29 GLN HGy 1.0 0.0 4.85 1841 1521 A 32 LYS HD3 A 29 GLN HGx 1.0 0.0 4.85 1842 1522 A 30 SER H A 30 SER HBx 1.0 0.0 3.65 1843 1522 A 30 SER H A 30 SER HBy 1.0 0.0 3.65 1844 1523 A 30 SER H A 31 ARG HBx 1.0 0.0 5.04 1845 1523 A 30 SER H A 31 ARG HBy 1.0 0.0 5.04 1846 1524 A 30 SER HBy A 42 LEU HBy 1.0 0.0 4.82 1847 1524 A 30 SER HBx A 42 LEU HBy 1.0 0.0 4.82 1848 1524 A 42 LEU HBx A 30 SER HBx 1.0 0.0 4.82 1849 1524 A 30 SER HBy A 42 LEU HBx 1.0 0.0 4.82 1850 1525 A 42 LEU HD1% A 30 SER HBx 1.0 0.0 4.56 1851 1525 A 42 LEU HD1% A 30 SER HBy 1.0 0.0 4.56 1852 1526 A 42 LEU HD2% A 30 SER HBx 1.0 0.0 4.45 1853 1526 A 42 LEU HD2% A 30 SER HBy 1.0 0.0 4.45 1854 1527 A 46 ALA HB% A 30 SER HBx 1.0 0.0 4.18 1855 1527 A 46 ALA HB% A 30 SER HBy 1.0 0.0 4.18 1856 1528 A 61 TYR HE% A 30 SER HBx 1.0 0.0 4.09 1857 1528 A 61 TYR HE% A 30 SER HBy 1.0 0.0 4.09 1858 1529 A 31 ARG HBx A 31 ARG HD2 1.0 0.0 3.54 1859 1529 A 31 ARG HBy A 31 ARG HD2 1.0 0.0 3.54 1860 1529 A 31 ARG HD3 A 31 ARG HBx 1.0 0.0 3.54 1861 1529 A 31 ARG HD3 A 31 ARG HBy 1.0 0.0 3.54 1862 1530 A 32 LYS HB3 A 32 LYS HEy 1.0 0.0 4.46 1863 1530 A 32 LYS HB3 A 32 LYS HEx 1.0 0.0 4.46 1864 1531 A 32 LYS HEx A 32 LYS HG2 1.0 0.0 3.50 1865 1531 A 32 LYS HEy A 32 LYS HG2 1.0 0.0 3.50 1866 1531 A 32 LYS HG3 A 32 LYS HEy 1.0 0.0 3.50 1867 1531 A 32 LYS HG3 A 32 LYS HEx 1.0 0.0 3.50 1868 1532 A 34 GLY H A 33 ARG HBy 1.0 0.0 4.48 1869 1532 A 34 GLY H A 33 ARG HBx 1.0 0.0 4.48 1870 1533 A 35 ILE HB A 69 ASP HBy 1.0 0.0 4.94 1871 1533 A 35 ILE HB A 69 ASP HBx 1.0 0.0 4.94 1872 1534 A 38 THR H A 35 ILE HG1y 1.0 0.0 4.65 1873 1534 A 38 THR H A 35 ILE HG1x 1.0 0.0 4.65 1874 1535 A 36 LEU HD1% A 39 ASP HBy 1.0 0.0 4.06 1875 1535 A 36 LEU HD1% A 39 ASP HBx 1.0 0.0 4.06 1876 1536 A 36 LEU HD2% A 39 ASP HBy 1.0 0.0 4.91 1877 1536 A 36 LEU HD2% A 39 ASP HBx 1.0 0.0 4.91 1878 1537 A 38 THR HG2% A 42 LEU HBy 1.0 0.0 5.09 1879 1537 A 38 THR HG2% A 42 LEU HBx 1.0 0.0 5.09 1880 1538 A 38 THR HG2% A 69 ASP HBy 1.0 0.0 4.27 1881 1538 A 38 THR HG2% A 69 ASP HBx 1.0 0.0 4.27 1882 1539 A 38 THR HG2% A 73 TYR HBy 1.0 0.0 5.21 1883 1539 A 38 THR HG2% A 73 TYR HBx 1.0 0.0 5.21 1884 1540 A 40 LEU H A 39 ASP HBy 1.0 0.0 4.26 1885 1540 A 40 LEU H A 39 ASP HBx 1.0 0.0 4.26 1886 1541 A 41 LEU H A 40 LEU HBy 1.0 0.0 3.73 1887 1541 A 41 LEU H A 40 LEU HBx 1.0 0.0 3.73 1888 1542 A 41 LEU HA A 40 LEU HBy 1.0 0.0 5.09 1889 1542 A 41 LEU HA A 40 LEU HBx 1.0 0.0 5.09 1890 1543 A 41 LEU HD1% A 102 SER HBx 1.0 0.0 3.65 1891 1543 A 41 LEU HD1% A 102 SER HBy 1.0 0.0 3.65 1892 1544 A 41 LEU HD2% A 102 SER HBx 1.0 0.0 4.77 1893 1544 A 41 LEU HD2% A 102 SER HBy 1.0 0.0 4.77 1894 1545 A 42 LEU HBy A 43 SER HBx 1.0 0.0 4.44 1895 1545 A 42 LEU HBx A 43 SER HBx 1.0 0.0 4.44 1896 1545 A 43 SER HBy A 42 LEU HBy 1.0 0.0 4.44 1897 1545 A 42 LEU HBx A 43 SER HBy 1.0 0.0 4.44 1898 1546 A 42 LEU HD1% A 72 ILE HG1y 1.0 0.0 3.97 1899 1546 A 42 LEU HD1% A 72 ILE HG1x 1.0 0.0 3.97 1900 1547 A 47 ALA H A 44 GLY HAx 1.0 0.0 4.77 1901 1547 A 47 ALA H A 44 GLY HAy 1.0 0.0 4.77 1902 1548 A 47 ALA HB% A 44 GLY HAx 1.0 0.0 3.67 1903 1548 A 47 ALA HB% A 44 GLY HAy 1.0 0.0 3.67 1904 1549 A 101 PHE HE% A 44 GLY HAx 1.0 0.0 5.21 1905 1549 A 101 PHE HE% A 44 GLY HAy 1.0 0.0 5.21 1906 1550 A 101 PHE HZ A 44 GLY HAx 1.0 0.0 3.65 1907 1550 A 101 PHE HZ A 44 GLY HAy 1.0 0.0 3.65 1908 1551 A 45 PHE HA A 48 LYS HBx 1.0 0.0 4.71 1909 1551 A 45 PHE HA A 48 LYS HBy 1.0 0.0 4.71 1910 1552 A 45 PHE HE% A 97 GLN HGx 1.0 0.0 4.61 1911 1552 A 45 PHE HE% A 97 GLN HGy 1.0 0.0 4.61 1912 1553 A 45 PHE HE% A 98 LEU HBy 1.0 0.0 4.82 1913 1553 A 45 PHE HE% A 98 LEU HBx 1.0 0.0 4.82 1914 1554 A 45 PHE HZ A 98 LEU HBy 1.0 0.0 3.99 1915 1554 A 45 PHE HZ A 98 LEU HBx 1.0 0.0 3.99 1916 1555 A 46 ALA HA A 49 TYR HBy 1.0 0.0 5.12 1917 1555 A 46 ALA HA A 49 TYR HBx 1.0 0.0 5.12 1918 1556 A 46 ALA HA A 50 LEU HBy 1.0 0.0 5.34 1919 1556 A 46 ALA HA A 50 LEU HBx 1.0 0.0 5.34 1920 1557 A 47 ALA HA A 50 LEU HBy 1.0 0.0 4.38 1921 1557 A 47 ALA HA A 50 LEU HBx 1.0 0.0 4.38 1922 1558 A 48 LYS HA A 48 LYS HGy 1.0 0.0 3.56 1923 1558 A 48 LYS HA A 48 LYS HGx 1.0 0.0 3.56 1924 1559 A 48 LYS HA A 48 LYS HDx 1.0 0.0 5.04 1925 1559 A 48 LYS HA A 48 LYS HDy 1.0 0.0 5.04 1926 1560 A 48 LYS HBx A 48 LYS HE2 1.0 0.0 4.58 1927 1560 A 48 LYS HBy A 48 LYS HE2 1.0 0.0 4.58 1928 1560 A 48 LYS HE3 A 48 LYS HBx 1.0 0.0 4.58 1929 1560 A 48 LYS HE3 A 48 LYS HBy 1.0 0.0 4.58 1930 1561 A 49 TYR H A 48 LYS HBx 1.0 0.0 3.56 1931 1561 A 49 TYR H A 48 LYS HBy 1.0 0.0 3.56 1932 1562 A 49 TYR HD% A 48 LYS HBx 1.0 0.0 3.60 1933 1562 A 49 TYR HD% A 48 LYS HBy 1.0 0.0 3.60 1934 1563 A 49 TYR HE% A 48 LYS HBx 1.0 0.0 4.08 1935 1563 A 49 TYR HE% A 48 LYS HBy 1.0 0.0 4.08 1936 1564 A 49 TYR H A 48 LYS HGy 1.0 0.0 4.49 1937 1564 A 49 TYR H A 48 LYS HGx 1.0 0.0 4.49 1938 1565 A 49 TYR HD% A 48 LYS HGy 1.0 0.0 4.35 1939 1565 A 49 TYR HD% A 48 LYS HGx 1.0 0.0 4.35 1940 1566 A 49 TYR HE% A 48 LYS HGy 1.0 0.0 4.33 1941 1566 A 49 TYR HE% A 48 LYS HGx 1.0 0.0 4.33 1942 1567 A 49 TYR HD% A 48 LYS HDx 1.0 0.0 3.60 1943 1567 A 49 TYR HD% A 48 LYS HDy 1.0 0.0 3.60 1944 1568 A 49 TYR HE% A 48 LYS HDx 1.0 0.0 3.34 1945 1568 A 49 TYR HE% A 48 LYS HDy 1.0 0.0 3.34 1946 1569 A 101 PHE HE% A 48 LYS HDx 1.0 0.0 3.91 1947 1569 A 101 PHE HE% A 48 LYS HDy 1.0 0.0 3.91 1948 1570 A 49 TYR H A 49 TYR HBy 1.0 0.0 3.48 1949 1570 A 49 TYR H A 49 TYR HBx 1.0 0.0 3.48 1950 1571 A 49 TYR HA A 52 LYS HBx 1.0 0.0 4.82 1951 1571 A 49 TYR HA A 52 LYS HBy 1.0 0.0 4.82 1952 1572 A 53 MET HE% A 49 TYR HBy 1.0 0.0 3.37 1953 1572 A 53 MET HE% A 49 TYR HBx 1.0 0.0 3.37 1954 1573 A 49 TYR HE% A 97 GLN HGx 1.0 0.0 4.26 1955 1573 A 49 TYR HE% A 97 GLN HGy 1.0 0.0 4.26 1956 1574 A 50 LEU H A 50 LEU HBy 1.0 0.0 3.43 1957 1574 A 50 LEU H A 50 LEU HBx 1.0 0.0 3.43 1958 1575 A 50 LEU HA A 53 MET HBy 1.0 0.0 4.23 1959 1575 A 50 LEU HA A 53 MET HBx 1.0 0.0 4.23 1960 1576 A 50 LEU HA A 53 MET HGy 1.0 0.0 4.21 1961 1576 A 50 LEU HA A 53 MET HGx 1.0 0.0 4.21 1962 1577 A 51 LYS H A 50 LEU HBy 1.0 0.0 3.92 1963 1577 A 51 LYS H A 50 LEU HBx 1.0 0.0 3.92 1964 1578 A 58 LEU HD2% A 50 LEU HBy 1.0 0.0 4.20 1965 1578 A 58 LEU HD2% A 50 LEU HBx 1.0 0.0 4.20 1966 1579 A 51 LYS H A 51 LYS HGx 1.0 0.0 4.36 1967 1579 A 51 LYS H A 51 LYS HGy 1.0 0.0 4.36 1968 1580 A 51 LYS HE2 A 51 LYS HGx 1.0 0.0 3.49 1969 1580 A 51 LYS HGy A 51 LYS HE2 1.0 0.0 3.49 1970 1580 A 51 LYS HE3 A 51 LYS HGy 1.0 0.0 3.49 1971 1580 A 51 LYS HE3 A 51 LYS HGx 1.0 0.0 3.49 1972 1581 A 52 LYS H A 51 LYS HGx 1.0 0.0 4.81 1973 1581 A 52 LYS H A 51 LYS HGy 1.0 0.0 4.81 1974 1582 A 52 LYS HBy A 52 LYS HE2 1.0 0.0 4.39 1975 1582 A 52 LYS HBx A 52 LYS HE2 1.0 0.0 4.39 1976 1582 A 52 LYS HE3 A 52 LYS HBx 1.0 0.0 4.39 1977 1582 A 52 LYS HE3 A 52 LYS HBy 1.0 0.0 4.39 1978 1583 A 53 MET H A 53 MET HBy 1.0 0.0 3.30 1979 1583 A 53 MET H A 53 MET HBx 1.0 0.0 3.30 1980 1584 A 53 MET H A 53 MET HGy 1.0 0.0 3.65 1981 1584 A 53 MET H A 53 MET HGx 1.0 0.0 3.65 1982 1585 A 53 MET HA A 53 MET HGy 1.0 0.0 3.62 1983 1585 A 53 MET HA A 53 MET HGx 1.0 0.0 3.62 1984 1586 A 54 ASN H A 53 MET HBy 1.0 0.0 3.66 1985 1586 A 54 ASN H A 53 MET HBx 1.0 0.0 3.66 1986 1587 A 54 ASN H A 53 MET HGy 1.0 0.0 4.49 1987 1587 A 54 ASN H A 53 MET HGx 1.0 0.0 4.49 1988 1588 A 58 LEU H A 53 MET HGy 1.0 0.0 5.04 1989 1588 A 58 LEU H A 53 MET HGx 1.0 0.0 5.04 1990 1589 A 54 ASN H A 57 GLU HBx 1.0 0.0 3.80 1991 1589 A 54 ASN H A 57 GLU HBy 1.0 0.0 3.80 1992 1590 A 54 ASN H A 57 GLU HGx 1.0 0.0 4.99 1993 1590 A 54 ASN H A 57 GLU HGy 1.0 0.0 4.99 1994 1591 A 55 GLU H A 54 ASN HBy 1.0 0.0 3.23 1995 1591 A 55 GLU H A 54 ASN HBx 1.0 0.0 3.23 1996 1592 A 54 ASN HBx A 55 GLU HBx 1.0 0.0 5.18 1997 1592 A 54 ASN HBy A 55 GLU HBx 1.0 0.0 5.18 1998 1592 A 55 GLU HBy A 54 ASN HBy 1.0 0.0 5.18 1999 1592 A 55 GLU HBy A 54 ASN HBx 1.0 0.0 5.18 2000 1593 A 54 ASN HBx A 56 GLU HBx 1.0 0.0 5.18 2001 1593 A 54 ASN HBy A 56 GLU HBx 1.0 0.0 5.18 2002 1593 A 56 GLU HBy A 54 ASN HBy 1.0 0.0 5.18 2003 1593 A 54 ASN HBx A 56 GLU HBy 1.0 0.0 5.18 2004 1594 A 55 GLU H A 55 GLU HBx 1.0 0.0 3.10 2005 1594 A 55 GLU H A 55 GLU HBy 1.0 0.0 3.10 2006 1595 A 55 GLU H A 55 GLU HGy 1.0 0.0 3.89 2007 1595 A 55 GLU H A 55 GLU HGx 1.0 0.0 3.89 2008 1596 A 56 GLU H A 55 GLU HBx 1.0 0.0 3.21 2009 1596 A 56 GLU H A 55 GLU HBy 1.0 0.0 3.21 2010 1597 A 56 GLU H A 56 GLU HBx 1.0 0.0 3.29 2011 1597 A 56 GLU H A 56 GLU HBy 1.0 0.0 3.29 2012 1598 A 56 GLU HA A 59 GLU HGx 1.0 0.0 4.75 2013 1598 A 56 GLU HA A 59 GLU HGy 1.0 0.0 4.75 2014 1599 A 57 GLU H A 56 GLU HBx 1.0 0.0 3.60 2015 1599 A 57 GLU H A 56 GLU HBy 1.0 0.0 3.60 2016 1600 A 57 GLU H A 57 GLU HBx 1.0 0.0 3.32 2017 1600 A 57 GLU H A 57 GLU HBy 1.0 0.0 3.32 2018 1601 A 57 GLU H A 57 GLU HGx 1.0 0.0 3.26 2019 1601 A 57 GLU H A 57 GLU HGy 1.0 0.0 3.26 2020 1602 A 57 GLU HA A 60 GLU HBx 1.0 0.0 4.82 2021 1602 A 57 GLU HA A 60 GLU HBy 1.0 0.0 4.82 2022 1603 A 58 LEU H A 57 GLU HBx 1.0 0.0 3.50 2023 1603 A 58 LEU H A 57 GLU HBy 1.0 0.0 3.50 2024 1604 A 58 LEU H A 57 GLU HGx 1.0 0.0 5.19 2025 1604 A 58 LEU H A 57 GLU HGy 1.0 0.0 5.19 2026 1605 A 59 GLU H A 59 GLU HBx 1.0 0.0 3.09 2027 1605 A 59 GLU H A 59 GLU HBy 1.0 0.0 3.09 2028 1606 A 59 GLU HA A 59 GLU HGx 1.0 0.0 3.52 2029 1606 A 59 GLU HA A 59 GLU HGy 1.0 0.0 3.52 2030 1607 A 59 GLU HA A 62 ASP HBy 1.0 0.0 3.75 2031 1607 A 59 GLU HA A 62 ASP HBx 1.0 0.0 3.75 2032 1608 A 60 GLU H A 59 GLU HBx 1.0 0.0 3.82 2033 1608 A 60 GLU H A 59 GLU HBy 1.0 0.0 3.82 2034 1609 A 60 GLU H A 59 GLU HGx 1.0 0.0 4.48 2035 1609 A 60 GLU H A 59 GLU HGy 1.0 0.0 4.48 2036 1610 A 60 GLU H A 60 GLU HBx 1.0 0.0 3.08 2037 1610 A 60 GLU H A 60 GLU HBy 1.0 0.0 3.08 2038 1611 A 60 GLU H A 60 GLU HGx 1.0 0.0 4.02 2039 1611 A 60 GLU H A 60 GLU HGy 1.0 0.0 4.02 2040 1612 A 60 GLU HA A 60 GLU HGx 1.0 0.0 3.32 2041 1612 A 60 GLU HA A 60 GLU HGy 1.0 0.0 3.32 2042 1613 A 61 TYR H A 60 GLU HBx 1.0 0.0 3.90 2043 1613 A 61 TYR H A 60 GLU HBy 1.0 0.0 3.90 2044 1614 A 94 LEU HD1% A 60 GLU HBx 1.0 0.0 4.35 2045 1614 A 94 LEU HD1% A 60 GLU HBy 1.0 0.0 4.35 2046 1615 A 94 LEU HD2% A 60 GLU HBx 1.0 0.0 3.88 2047 1615 A 94 LEU HD2% A 60 GLU HBy 1.0 0.0 3.88 2048 1616 A 61 TYR H A 60 GLU HGx 1.0 0.0 5.34 2049 1616 A 61 TYR H A 60 GLU HGy 1.0 0.0 5.34 2050 1617 A 89 TRP HZ3 A 60 GLU HGx 1.0 0.0 3.97 2051 1617 A 89 TRP HZ3 A 60 GLU HGy 1.0 0.0 3.97 2052 1618 A 89 TRP HH2 A 60 GLU HGx 1.0 0.0 4.44 2053 1618 A 89 TRP HH2 A 60 GLU HGy 1.0 0.0 4.44 2054 1619 A 94 LEU HD2% A 60 GLU HGx 1.0 0.0 3.75 2055 1619 A 94 LEU HD2% A 60 GLU HGy 1.0 0.0 3.75 2056 1620 A 63 SER H A 62 ASP HBy 1.0 0.0 3.61 2057 1620 A 63 SER H A 62 ASP HBx 1.0 0.0 3.61 2058 1621 A 63 SER HBy A 88 LYS HEy 1.0 0.0 4.99 2059 1621 A 63 SER HBx A 88 LYS HEy 1.0 0.0 4.99 2060 1621 A 88 LYS HEx A 63 SER HBx 1.0 0.0 4.99 2061 1621 A 63 SER HBy A 88 LYS HEx 1.0 0.0 4.99 2062 1622 A 89 TRP HZ2 A 63 SER HBx 1.0 0.0 3.73 2063 1622 A 89 TRP HZ2 A 63 SER HBy 1.0 0.0 3.73 2064 1623 A 89 TRP HH2 A 63 SER HBx 1.0 0.0 3.68 2065 1623 A 89 TRP HH2 A 63 SER HBy 1.0 0.0 3.68 2066 1624 A 64 LEU HD1% A 67 GLU HGx 1.0 0.0 3.97 2067 1624 A 64 LEU HD1% A 67 GLU HGy 1.0 0.0 3.97 2068 1625 A 64 LEU HD1% A 72 ILE HG1y 1.0 0.0 5.01 2069 1625 A 64 LEU HD1% A 72 ILE HG1x 1.0 0.0 5.01 2070 1626 A 65 LEU H A 65 LEU HBy 1.0 0.0 3.56 2071 1626 A 65 LEU H A 65 LEU HBx 1.0 0.0 3.56 2072 1627 A 65 LEU HD1% A 65 LEU HBy 1.0 0.0 3.30 2073 1627 A 65 LEU HD1% A 65 LEU HBx 1.0 0.0 3.30 2074 1628 A 66 ASN H A 65 LEU HBy 1.0 0.0 4.26 2075 1628 A 66 ASN H A 65 LEU HBx 1.0 0.0 4.26 2076 1629 A 67 GLU H A 67 GLU HGx 1.0 0.0 3.69 2077 1629 A 67 GLU H A 67 GLU HGy 1.0 0.0 3.69 2078 1630 A 75 TRP HZ3 A 67 GLU HGx 1.0 0.0 4.02 2079 1630 A 75 TRP HZ3 A 67 GLU HGy 1.0 0.0 4.02 2080 1631 A 75 TRP HH2 A 67 GLU HGx 1.0 0.0 4.34 2081 1631 A 75 TRP HH2 A 67 GLU HGy 1.0 0.0 4.34 2082 1632 A 89 TRP HE1 A 67 GLU HGx 1.0 0.0 4.07 2083 1632 A 89 TRP HE1 A 67 GLU HGy 1.0 0.0 4.07 2084 1633 A 69 ASP H A 69 ASP HBy 1.0 0.0 3.62 2085 1633 A 69 ASP H A 69 ASP HBx 1.0 0.0 3.62 2086 1634 A 71 ASP H A 71 ASP HBy 1.0 0.0 3.69 2087 1634 A 71 ASP H A 71 ASP HBx 1.0 0.0 3.69 2088 1635 A 72 ILE H A 71 ASP HBy 1.0 0.0 4.14 2089 1635 A 72 ILE H A 71 ASP HBx 1.0 0.0 4.14 2090 1636 A 75 TRP HZ2 A 71 ASP HBy 1.0 0.0 4.13 2091 1636 A 75 TRP HZ2 A 71 ASP HBx 1.0 0.0 4.13 2092 1637 A 72 ILE H A 72 ILE HG1y 1.0 0.0 3.56 2093 1637 A 72 ILE H A 72 ILE HG1x 1.0 0.0 3.56 2094 1638 A 74 TYR H A 73 TYR HBy 1.0 0.0 4.08 2095 1638 A 74 TYR H A 73 TYR HBx 1.0 0.0 4.08 2096 1639 A 74 TYR HA A 79 ASN HBy 1.0 0.0 4.21 2097 1639 A 74 TYR HA A 79 ASN HBx 1.0 0.0 4.21 2098 1640 A 74 TYR HB3 A 79 ASN HBy 1.0 0.0 4.66 2099 1640 A 74 TYR HB3 A 79 ASN HBx 1.0 0.0 4.66 2100 1641 A 74 TYR HD% A 79 ASN HBy 1.0 0.0 4.01 2101 1641 A 74 TYR HD% A 79 ASN HBx 1.0 0.0 4.01 2102 1642 A 76 ALA HA A 98 LEU HBy 1.0 0.0 4.95 2103 1642 A 76 ALA HA A 98 LEU HBx 1.0 0.0 4.95 2104 1643 A 76 ALA HA A 99 GLN HGx 1.0 0.0 3.73 2105 1643 A 76 ALA HA A 99 GLN HGy 1.0 0.0 3.73 2106 1644 A 76 ALA HB% A 102 SER HBx 1.0 0.0 4.49 2107 1644 A 76 ALA HB% A 102 SER HBy 1.0 0.0 4.49 2108 1645 A 77 THR HG2% A 102 SER HBx 1.0 0.0 5.08 2109 1645 A 77 THR HG2% A 102 SER HBy 1.0 0.0 5.08 2110 1646 A 78 LYS HBx A 78 LYS HEx 1.0 0.0 5.18 2111 1646 A 78 LYS HBy A 78 LYS HEx 1.0 0.0 5.18 2112 1646 A 78 LYS HEy A 78 LYS HBx 1.0 0.0 5.18 2113 1646 A 78 LYS HBy A 78 LYS HEy 1.0 0.0 5.18 2114 1647 A 80 PHE HE% A 78 LYS HDx 1.0 0.0 4.41 2115 1647 A 80 PHE HE% A 78 LYS HDy 1.0 0.0 4.41 2116 1648 A 80 PHE H A 80 PHE HBx 1.0 0.0 3.57 2117 1648 A 80 PHE H A 80 PHE HBy 1.0 0.0 3.57 2118 1649 A 80 PHE H A 81 LYS HBx 1.0 0.0 4.94 2119 1649 A 80 PHE H A 81 LYS HBy 1.0 0.0 4.94 2120 1650 A 84 PRO HA A 80 PHE HBx 1.0 0.0 4.71 2121 1650 A 84 PRO HA A 80 PHE HBy 1.0 0.0 4.71 2122 1651 A 80 PHE HBx A 84 PRO HBy 1.0 0.0 5.15 2123 1651 A 80 PHE HBy A 84 PRO HBy 1.0 0.0 5.15 2124 1651 A 84 PRO HBx A 80 PHE HBx 1.0 0.0 5.15 2125 1651 A 80 PHE HBy A 84 PRO HBx 1.0 0.0 5.15 2126 1652 A 85 LEU H A 80 PHE HBx 1.0 0.0 4.59 2127 1652 A 85 LEU H A 80 PHE HBy 1.0 0.0 4.59 2128 1653 A 81 LYS H A 81 LYS HBx 1.0 0.0 3.04 2129 1653 A 81 LYS H A 81 LYS HBy 1.0 0.0 3.04 2130 1654 A 83 SER H A 84 PRO HDx 1.0 0.0 4.46 2131 1654 A 83 SER H A 84 PRO HDy 1.0 0.0 4.46 2132 1655 A 83 SER HA A 84 PRO HDx 1.0 0.0 3.22 2133 1655 A 83 SER HA A 84 PRO HDy 1.0 0.0 3.22 2134 1656 A 84 PRO HA A 85 LEU HBy 1.0 0.0 5.10 2135 1656 A 84 PRO HA A 85 LEU HBx 1.0 0.0 5.10 2136 1657 A 85 LEU HD2% A 85 LEU HBy 1.0 0.0 3.11 2137 1657 A 85 LEU HD2% A 85 LEU HBx 1.0 0.0 3.11 2138 1658 A 85 LEU HD1% A 89 TRP HBx 1.0 0.0 3.69 2139 1658 A 85 LEU HD1% A 89 TRP HBy 1.0 0.0 3.69 2140 1659 A 85 LEU HD2% A 89 TRP HBx 1.0 0.0 4.23 2141 1659 A 85 LEU HD2% A 89 TRP HBy 1.0 0.0 4.23 2142 1660 A 86 PRO HB2 A 88 LYS HGy 1.0 0.0 4.48 2143 1660 A 86 PRO HB2 A 88 LYS HGx 1.0 0.0 4.48 2144 1661 A 86 PRO HB3 A 88 LYS HGy 1.0 0.0 4.81 2145 1661 A 86 PRO HB3 A 88 LYS HGx 1.0 0.0 4.81 2146 1662 A 88 LYS H A 88 LYS HGy 1.0 0.0 3.78 2147 1662 A 88 LYS H A 88 LYS HGx 1.0 0.0 3.78 2148 1663 A 88 LYS HBx A 88 LYS HEy 1.0 0.0 4.60 2149 1663 A 88 LYS HBy A 88 LYS HEy 1.0 0.0 4.60 2150 1663 A 88 LYS HEx A 88 LYS HBx 1.0 0.0 4.60 2151 1663 A 88 LYS HEx A 88 LYS HBy 1.0 0.0 4.60 2152 1664 A 89 TRP H A 88 LYS HBx 1.0 0.0 4.22 2153 1664 A 89 TRP H A 88 LYS HBy 1.0 0.0 4.22 2154 1665 A 89 TRP H A 88 LYS HGy 1.0 0.0 5.20 2155 1665 A 89 TRP H A 88 LYS HGx 1.0 0.0 5.20 2156 1666 A 89 TRP HE1 A 88 LYS HEy 1.0 0.0 4.33 2157 1666 A 89 TRP HE1 A 88 LYS HEx 1.0 0.0 4.33 2158 1667 A 89 TRP HZ2 A 88 LYS HEy 1.0 0.0 4.12 2159 1667 A 89 TRP HZ2 A 88 LYS HEx 1.0 0.0 4.12 2160 1668 A 89 TRP H A 89 TRP HBx 1.0 0.0 3.53 2161 1668 A 89 TRP H A 89 TRP HBy 1.0 0.0 3.53 2162 1669 A 95 LEU HD1% A 89 TRP HBx 1.0 0.0 4.37 2163 1669 A 95 LEU HD1% A 89 TRP HBy 1.0 0.0 4.37 2164 1670 A 95 LEU HD2% A 89 TRP HBx 1.0 0.0 3.88 2165 1670 A 95 LEU HD2% A 89 TRP HBy 1.0 0.0 3.88 2166 1671 A 89 TRP HZ3 A 92 SER HBx 1.0 0.0 4.94 2167 1671 A 89 TRP HZ3 A 92 SER HBy 1.0 0.0 4.94 2168 1672 A 90 ALA HB% A 91 ASN HBx 1.0 0.0 4.79 2169 1672 A 90 ALA HB% A 91 ASN HBy 1.0 0.0 4.79 2170 1673 A 91 ASN HD22 A 91 ASN HBx 1.0 0.0 3.55 2171 1673 A 91 ASN HD22 A 91 ASN HBy 1.0 0.0 3.55 2172 1674 A 92 SER H A 92 SER HBx 1.0 0.0 3.33 2173 1674 A 92 SER H A 92 SER HBy 1.0 0.0 3.33 2174 1675 A 95 LEU HB2 A 92 SER HBx 1.0 0.0 4.33 2175 1675 A 95 LEU HB2 A 92 SER HBy 1.0 0.0 4.33 2176 1676 A 95 LEU HB3 A 92 SER HBx 1.0 0.0 4.00 2177 1676 A 95 LEU HB3 A 92 SER HBy 1.0 0.0 4.00 2178 1677 A 95 LEU HD2% A 92 SER HBx 1.0 0.0 4.54 2179 1677 A 95 LEU HD2% A 92 SER HBy 1.0 0.0 4.54 2180 1678 A 93 LYS H A 93 LYS HGy 1.0 0.0 4.15 2181 1678 A 93 LYS H A 93 LYS HGx 1.0 0.0 4.15 2182 1679 A 93 LYS HE3 A 93 LYS HGy 1.0 0.0 3.53 2183 1679 A 93 LYS HE2 A 93 LYS HGy 1.0 0.0 3.53 2184 1679 A 93 LYS HGx A 93 LYS HE2 1.0 0.0 3.53 2185 1679 A 93 LYS HE3 A 93 LYS HGx 1.0 0.0 3.53 2186 1680 A 94 LEU H A 93 LYS HGy 1.0 0.0 4.62 2187 1680 A 94 LEU H A 93 LYS HGx 1.0 0.0 4.62 2188 1681 A 94 LEU H A 94 LEU HBy 1.0 0.0 3.32 2189 1681 A 94 LEU H A 94 LEU HBx 1.0 0.0 3.32 2190 1682 A 94 LEU HD1% A 94 LEU HBy 1.0 0.0 2.96 2191 1682 A 94 LEU HD1% A 94 LEU HBx 1.0 0.0 2.96 2192 1683 A 95 LEU H A 94 LEU HBy 1.0 0.0 3.84 2193 1683 A 95 LEU H A 94 LEU HBx 1.0 0.0 3.84 2194 1684 A 94 LEU HD1% A 97 GLN HGx 1.0 0.0 5.16 2195 1684 A 94 LEU HD1% A 97 GLN HGy 1.0 0.0 5.16 2196 1685 A 95 LEU HA A 98 LEU HBy 1.0 0.0 3.86 2197 1685 A 95 LEU HA A 98 LEU HBx 1.0 0.0 3.86 2198 1686 A 95 LEU HD1% A 99 GLN HGx 1.0 0.0 3.90 2199 1686 A 95 LEU HD1% A 99 GLN HGy 1.0 0.0 3.90 2200 1687 A 96 LYS H A 96 LYS HGx 1.0 0.0 3.65 2201 1687 A 96 LYS H A 96 LYS HGy 1.0 0.0 3.65 2202 1688 A 96 LYS HA A 99 GLN HGx 1.0 0.0 4.62 2203 1688 A 96 LYS HA A 99 GLN HGy 1.0 0.0 4.62 2204 1689 A 97 GLN H A 96 LYS HGx 1.0 0.0 5.34 2205 1689 A 97 GLN H A 96 LYS HGy 1.0 0.0 5.34 2206 1690 A 97 GLN H A 97 GLN HGx 1.0 0.0 3.35 2207 1690 A 97 GLN H A 97 GLN HGy 1.0 0.0 3.35 2208 1691 A 97 GLN H A 98 LEU HBy 1.0 0.0 5.34 2209 1691 A 97 GLN H A 98 LEU HBx 1.0 0.0 5.34 2210 1692 A 97 GLN HA A 97 GLN HGx 1.0 0.0 3.53 2211 1692 A 97 GLN HA A 97 GLN HGy 1.0 0.0 3.53 2212 1693 A 98 LEU H A 97 GLN HGx 1.0 0.0 5.34 2213 1693 A 98 LEU H A 97 GLN HGy 1.0 0.0 5.34 2214 1694 A 99 GLN H A 98 LEU HBy 1.0 0.0 3.98 2215 1694 A 99 GLN H A 98 LEU HBx 1.0 0.0 3.98 2216 1695 A 99 GLN H A 99 GLN HGx 1.0 0.0 3.81 2217 1695 A 99 GLN H A 99 GLN HGy 1.0 0.0 3.81 2218 1696 A 99 GLN HA A 102 SER HBx 1.0 0.0 4.23 2219 1696 A 99 GLN HA A 102 SER HBy 1.0 0.0 4.23 2220 1697 A 100 GLU H A 100 GLU HGx 1.0 0.0 3.53 2221 1697 A 100 GLU H A 100 GLU HGy 1.0 0.0 3.53 2222 1698 A 100 GLU HA A 100 GLU HGx 1.0 0.0 3.34 2223 1698 A 100 GLU HA A 100 GLU HGy 1.0 0.0 3.34 2224 1699 A 101 PHE H A 100 GLU HGx 1.0 0.0 4.41 2225 1699 A 101 PHE H A 100 GLU HGy 1.0 0.0 4.41 2226 1700 A 102 SER H A 102 SER HBx 1.0 0.0 3.28 2227 1700 A 102 SER H A 102 SER HBy 1.0 0.0 3.28 2228 1701 A 102 SER HA A 105 LYS HGy 1.0 0.0 4.70 2229 1701 A 102 SER HA A 105 LYS HGx 1.0 0.0 4.70 2230 1702 A 103 GLU H A 102 SER HBx 1.0 0.0 3.79 2231 1702 A 103 GLU H A 102 SER HBy 1.0 0.0 3.79 2232 1703 A 103 GLU H A 103 GLU HGx 1.0 0.0 3.55 2233 1703 A 103 GLU H A 103 GLU HGy 1.0 0.0 3.55 2234 1704 A 103 GLU HA A 103 GLU HGx 1.0 0.0 3.38 2235 1704 A 103 GLU HA A 103 GLU HGy 1.0 0.0 3.38 2236 1705 A 103 GLU HB3 A 103 GLU HGx 1.0 0.0 2.43 2237 1705 A 103 GLU HB2 A 103 GLU HGx 1.0 0.0 2.43 2238 1705 A 103 GLU HGy A 103 GLU HB2 1.0 0.0 2.43 2239 1705 A 103 GLU HB3 A 103 GLU HGy 1.0 0.0 2.43 2240 1706 A 104 ASN H A 103 GLU HGx 1.0 0.0 4.31 2241 1706 A 104 ASN H A 103 GLU HGy 1.0 0.0 4.31 2242 1707 A 104 ASN HD21 A 103 GLU HGx 1.0 0.0 5.20 2243 1707 A 104 ASN HD21 A 103 GLU HGy 1.0 0.0 5.20 2244 1708 A 104 ASN HD22 A 103 GLU HGx 1.0 0.0 4.85 2245 1708 A 104 ASN HD22 A 103 GLU HGy 1.0 0.0 4.85 2246 1709 A 104 ASN H A 104 ASN HBy 1.0 0.0 3.22 2247 1709 A 104 ASN H A 104 ASN HBx 1.0 0.0 3.22 2248 1710 A 105 LYS HA A 106 GLU HGx 1.0 0.0 4.56 2249 1710 A 105 LYS HA A 106 GLU HGy 1.0 0.0 4.56 2250 1711 A 105 LYS HB3 A 106 GLU HGx 1.0 0.0 4.49 2251 1711 A 105 LYS HB2 A 106 GLU HGx 1.0 0.0 4.49 2252 1711 A 106 GLU HGy A 105 LYS HB2 1.0 0.0 4.49 2253 1711 A 105 LYS HB3 A 106 GLU HGy 1.0 0.0 4.49 2254 1712 A 106 GLU H A 105 LYS HGy 1.0 0.0 4.60 2255 1712 A 106 GLU H A 105 LYS HGx 1.0 0.0 4.60 2256 1713 A 106 GLU H A 106 GLU HGx 1.0 0.0 4.01 2257 1713 A 106 GLU H A 106 GLU HGy 1.0 0.0 4.01 2258 1714 A 106 GLU HA A 106 GLU HGx 1.0 0.0 3.61 2259 1714 A 106 GLU HA A 106 GLU HGy 1.0 0.0 3.61 2260 1715 A 107 LYS H A 107 LYS HBx 1.0 0.0 3.08 2261 1715 A 107 LYS H A 107 LYS HBy 1.0 0.0 3.08 2262 1716 A 107 LYS H A 108 GLU HGx 1.0 0.0 5.34 2263 1716 A 107 LYS H A 108 GLU HGy 1.0 0.0 5.34 2264 1717 A 108 GLU H A 107 LYS HBx 1.0 0.0 4.07 2265 1717 A 108 GLU H A 107 LYS HBy 1.0 0.0 4.07 2266 1718 A 108 GLU H A 108 GLU HBx 1.0 0.0 3.22 2267 1718 A 108 GLU H A 108 GLU HBy 1.0 0.0 3.22 2268 1719 A 108 GLU H A 108 GLU HGx 1.0 0.0 3.87 2269 1719 A 108 GLU H A 108 GLU HGy 1.0 0.0 3.87 2270 1720 A 108 GLU HA A 108 GLU HGx 1.0 0.0 3.64 2271 1720 A 108 GLU HA A 108 GLU HGy 1.0 0.0 3.64 2272 1721 A 109 ILE H A 108 GLU HBx 1.0 0.0 3.97 2273 1721 A 109 ILE H A 108 GLU HBy 1.0 0.0 3.97 2274 1722 A 109 ILE HA A 108 GLU HGx 1.0 0.0 4.43 2275 1722 A 109 ILE HA A 108 GLU HGy 1.0 0.0 4.43 2276 1723 A 109 ILE H A 109 ILE HG1y 1.0 0.0 3.57 2277 1723 A 109 ILE H A 109 ILE HG1x 1.0 0.0 3.57 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _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 18 PRO C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -69.4 -30.4 PHI 2 2 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 ASP N 1.0 -65.6 -27.2 PSI 3 3 A 19 LEU C A 20 ASP N A 20 ASP CA A 20 ASP C 1.0 -72.5 -52.5 PHI 4 4 A 20 ASP N A 20 ASP CA A 20 ASP C A 21 LYS N 1.0 -49.0 -29.0 PSI 5 5 A 20 ASP C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -76.0 -56.0 PHI 6 6 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 LYS N 1.0 -52.6 -27.4 PSI 7 7 A 21 LYS C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -71.3 -51.3 PHI 8 8 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 ARG N 1.0 -54.3 -34.3 PSI 9 9 A 22 LYS C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -71.4 -49.4 PHI 10 10 A 23 ARG N A 23 ARG CA A 23 ARG C A 24 ALA N 1.0 -54.5 -32.5 PSI 11 11 A 23 ARG C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -73.0 -52.0 PHI 12 12 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 ARG N 1.0 -55.8 -27.8 PSI 13 13 A 24 ALA C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -76.9 -51.5 PHI 14 14 A 25 ARG N A 25 ARG CA A 25 ARG C A 26 LEU N 1.0 -53.5 -33.5 PSI 15 15 A 25 ARG C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -79.0 -51.4 PHI 16 16 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 ILE N 1.0 -55.6 -17.0 PSI 17 17 A 26 LEU C A 27 ILE N A 27 ILE CA A 27 ILE C 1.0 -84.3 -53.3 PHI 18 18 A 27 ILE N A 27 ILE CA A 27 ILE C A 28 TYR N 1.0 -55.0 -28.6 PSI 19 19 A 27 ILE C A 28 TYR N A 28 TYR CA A 28 TYR C 1.0 -73.5 -53.3 PHI 20 20 A 28 TYR N A 28 TYR CA A 28 TYR C A 29 GLN N 1.0 -55.7 -33.5 PSI 21 21 A 28 TYR C A 29 GLN N A 29 GLN CA A 29 GLN C 1.0 -85.4 -53.6 PHI 22 22 A 29 GLN N A 29 GLN CA A 29 GLN C A 30 SER N 1.0 -51.7 -3.1 PSI 23 23 A 29 GLN C A 30 SER N A 30 SER CA A 30 SER C 1.0 -88.0 -49.6 PHI 24 24 A 30 SER N A 30 SER CA A 30 SER C A 31 ARG N 1.0 -58.4 -2.0 PSI 25 25 A 30 SER C A 31 ARG N A 31 ARG CA A 31 ARG C 1.0 -112.9 -78.5 PHI 26 26 A 31 ARG N A 31 ARG CA A 31 ARG C A 32 LYS N 1.0 -14.6 15.8 PSI 27 27 A 31 ARG C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -114.4 -50.6 PHI 28 28 A 32 LYS N A 32 LYS CA A 32 LYS C A 33 ARG N 1.0 118.6 172.0 PSI 29 29 A 32 LYS C A 33 ARG N A 33 ARG CA A 33 ARG C 1.0 -150.1 -48.1 PHI 30 30 A 33 ARG N A 33 ARG CA A 33 ARG C A 34 GLY N 1.0 85.5 203.5 PSI 31 31 A 35 ILE C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -71.5 -51.5 PHI 32 32 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 GLU N 1.0 -55.8 -12.6 PSI 33 33 A 36 LEU C A 37 GLU N A 37 GLU CA A 37 GLU C 1.0 -69.7 -49.7 PHI 34 34 A 37 GLU N A 37 GLU CA A 37 GLU C A 38 THR N 1.0 -52.1 -32.1 PSI 35 35 A 37 GLU C A 38 THR N A 38 THR CA A 38 THR C 1.0 -72.5 -52.5 PHI 36 36 A 38 THR N A 38 THR CA A 38 THR C A 39 ASP N 1.0 -52.2 -32.2 PSI 37 37 A 38 THR C A 39 ASP N A 39 ASP CA A 39 ASP C 1.0 -74.8 -54.8 PHI 38 38 A 39 ASP N A 39 ASP CA A 39 ASP C A 40 LEU N 1.0 -59.2 -32.6 PSI 39 39 A 39 ASP C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -79.0 -52.0 PHI 40 40 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 LEU N 1.0 -52.6 -28.2 PSI 41 41 A 40 LEU C A 41 LEU N A 41 LEU CA A 41 LEU C 1.0 -75.1 -54.1 PHI 42 42 A 41 LEU N A 41 LEU CA A 41 LEU C A 42 LEU N 1.0 -58.4 -30.4 PSI 43 43 A 41 LEU C A 42 LEU N A 42 LEU CA A 42 LEU C 1.0 -74.0 -51.0 PHI 44 44 A 42 LEU N A 42 LEU CA A 42 LEU C A 43 SER N 1.0 -46.6 -26.6 PSI 45 45 A 42 LEU C A 43 SER N A 43 SER CA A 43 SER C 1.0 -78.9 -52.5 PHI 46 46 A 43 SER N A 43 SER CA A 43 SER C A 44 GLY N 1.0 -57.5 -17.3 PSI 47 47 A 43 SER C A 44 GLY N A 44 GLY CA A 44 GLY C 1.0 -80.9 -53.3 PHI 48 48 A 44 GLY N A 44 GLY CA A 44 GLY C A 45 PHE N 1.0 -54.2 -28.0 PSI 49 49 A 44 GLY C A 45 PHE N A 45 PHE CA A 45 PHE C 1.0 -73.7 -53.1 PHI 50 50 A 45 PHE N A 45 PHE CA A 45 PHE C A 46 ALA N 1.0 -54.9 -34.9 PSI 51 51 A 45 PHE C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -73.8 -48.2 PHI 52 52 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 ALA N 1.0 -53.3 -25.1 PSI 53 53 A 46 ALA C A 47 ALA N A 47 ALA CA A 47 ALA C 1.0 -84.9 -46.9 PHI 54 54 A 47 ALA N A 47 ALA CA A 47 ALA C A 48 LYS N 1.0 -57.1 -14.1 PSI 55 55 A 47 ALA C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -90.0 -52.4 PHI 56 56 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 TYR N 1.0 -53.5 -29.1 PSI 57 57 A 48 LYS C A 49 TYR N A 49 TYR CA A 49 TYR C 1.0 -80.9 -54.1 PHI 58 58 A 49 TYR N A 49 TYR CA A 49 TYR C A 50 LEU N 1.0 -53.2 -19.6 PSI 59 59 A 49 TYR C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -74.7 -40.7 PHI 60 60 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 LYS N 1.0 -57.9 -23.1 PSI 61 61 A 50 LEU C A 51 LYS N A 51 LYS CA A 51 LYS C 1.0 -87.2 -42.6 PHI 62 62 A 51 LYS N A 51 LYS CA A 51 LYS C A 52 LYS N 1.0 -42.9 -5.3 PSI 63 63 A 54 ASN C A 55 GLU N A 55 GLU CA A 55 GLU C 1.0 -70.5 -50.5 PHI 64 64 A 55 GLU N A 55 GLU CA A 55 GLU C A 56 GLU N 1.0 -56.2 -18.6 PSI 65 65 A 55 GLU C A 56 GLU N A 56 GLU CA A 56 GLU C 1.0 -73.3 -53.3 PHI 66 66 A 56 GLU N A 56 GLU CA A 56 GLU C A 57 GLU N 1.0 -51.8 -30.8 PSI 67 67 A 56 GLU C A 57 GLU N A 57 GLU CA A 57 GLU C 1.0 -77.5 -57.1 PHI 68 68 A 57 GLU N A 57 GLU CA A 57 GLU C A 58 LEU N 1.0 -54.7 -33.1 PSI 69 69 A 57 GLU C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -72.4 -52.4 PHI 70 70 A 58 LEU N A 58 LEU CA A 58 LEU C A 59 GLU N 1.0 -49.6 -29.6 PSI 71 71 A 58 LEU C A 59 GLU N A 59 GLU CA A 59 GLU C 1.0 -78.8 -51.2 PHI 72 72 A 59 GLU N A 59 GLU CA A 59 GLU C A 60 GLU N 1.0 -49.5 -29.3 PSI 73 73 A 59 GLU C A 60 GLU N A 60 GLU CA A 60 GLU C 1.0 -80.4 -54.6 PHI 74 74 A 60 GLU N A 60 GLU CA A 60 GLU C A 61 TYR N 1.0 -52.7 -22.1 PSI 75 75 A 60 GLU C A 61 TYR N A 61 TYR CA A 61 TYR C 1.0 -76.3 -56.3 PHI 76 76 A 61 TYR N A 61 TYR CA A 61 TYR C A 62 ASP N 1.0 -51.0 -31.0 PSI 77 77 A 61 TYR C A 62 ASP N A 62 ASP CA A 62 ASP C 1.0 -71.9 -49.7 PHI 78 78 A 62 ASP N A 62 ASP CA A 62 ASP C A 63 SER N 1.0 -56.0 -33.2 PSI 79 79 A 62 ASP C A 63 SER N A 63 SER CA A 63 SER C 1.0 -74.6 -54.6 PHI 80 80 A 63 SER N A 63 SER CA A 63 SER C A 64 LEU N 1.0 -57.0 -21.2 PSI 81 81 A 63 SER C A 64 LEU N A 64 LEU CA A 64 LEU C 1.0 -75.8 -55.8 PHI 82 82 A 64 LEU N A 64 LEU CA A 64 LEU C A 65 LEU N 1.0 -55.9 -23.5 PSI 83 83 A 64 LEU C A 65 LEU N A 65 LEU CA A 65 LEU C 1.0 -91.1 -48.1 PHI 84 84 A 65 LEU N A 65 LEU CA A 65 LEU C A 66 ASN N 1.0 -49.2 11.4 PSI 85 85 A 68 LEU C A 69 ASP N A 69 ASP CA A 69 ASP C 1.0 -78.8 -40.6 PHI 86 86 A 69 ASP N A 69 ASP CA A 69 ASP C A 70 TRP N 1.0 -69.6 -28.2 PSI 87 87 A 69 ASP C A 70 TRP N A 70 TRP CA A 70 TRP C 1.0 -71.4 -51.4 PHI 88 88 A 70 TRP N A 70 TRP CA A 70 TRP C A 71 ASP N 1.0 -57.9 -16.9 PSI 89 89 A 70 TRP C A 71 ASP N A 71 ASP CA A 71 ASP C 1.0 -81.7 -52.1 PHI 90 90 A 71 ASP N A 71 ASP CA A 71 ASP C A 72 ILE N 1.0 -67.9 -12.5 PSI 91 91 A 71 ASP C A 72 ILE N A 72 ILE CA A 72 ILE C 1.0 -77.7 -45.1 PHI 92 92 A 72 ILE N A 72 ILE CA A 72 ILE C A 73 TYR N 1.0 -60.6 -33.6 PSI 93 93 A 72 ILE C A 73 TYR N A 73 TYR CA A 73 TYR C 1.0 -70.9 -50.9 PHI 94 94 A 73 TYR N A 73 TYR CA A 73 TYR C A 74 TYR N 1.0 -55.9 -30.9 PSI 95 95 A 92 SER C A 93 LYS N A 93 LYS CA A 93 LYS C 1.0 -68.8 -44.2 PHI 96 96 A 93 LYS N A 93 LYS CA A 93 LYS C A 94 LEU N 1.0 -51.5 -16.5 PSI 97 97 A 93 LYS C A 94 LEU N A 94 LEU CA A 94 LEU C 1.0 -73.6 -50.0 PHI 98 98 A 94 LEU N A 94 LEU CA A 94 LEU C A 95 LEU N 1.0 -54.2 -17.8 PSI 99 99 A 94 LEU C A 95 LEU N A 95 LEU CA A 95 LEU C 1.0 -76.6 -50.4 PHI 100 100 A 95 LEU N A 95 LEU CA A 95 LEU C A 96 LYS N 1.0 -55.4 -33.0 PSI 101 101 A 95 LEU C A 96 LYS N A 96 LYS CA A 96 LYS C 1.0 -71.2 -51.2 PHI 102 102 A 96 LYS N A 96 LYS CA A 96 LYS C A 97 GLN N 1.0 -49.6 -29.6 PSI 103 103 A 96 LYS C A 97 GLN N A 97 GLN CA A 97 GLN C 1.0 -76.1 -56.1 PHI 104 104 A 97 GLN N A 97 GLN CA A 97 GLN C A 98 LEU N 1.0 -52.4 -24.8 PSI 105 105 A 97 GLN C A 98 LEU N A 98 LEU CA A 98 LEU C 1.0 -75.8 -55.8 PHI 106 106 A 98 LEU N A 98 LEU CA A 98 LEU C A 99 GLN N 1.0 -52.7 -32.7 PSI 107 107 A 98 LEU C A 99 GLN N A 99 GLN CA A 99 GLN C 1.0 -79.9 -51.5 PHI 108 108 A 99 GLN N A 99 GLN CA A 99 GLN C A 100 GLU N 1.0 -49.7 -29.3 PSI 109 109 A 99 GLN C A 100 GLU N A 100 GLU CA A 100 GLU C 1.0 -79.4 -54.6 PHI 110 110 A 100 GLU N A 100 GLU CA A 100 GLU C A 101 PHE N 1.0 -55.3 -21.1 PSI 111 111 A 100 GLU C A 101 PHE N A 101 PHE CA A 101 PHE C 1.0 -72.9 -52.9 PHI 112 112 A 101 PHE N A 101 PHE CA A 101 PHE C A 102 SER N 1.0 -52.3 -32.3 PSI 113 113 A 101 PHE C A 102 SER N A 102 SER CA A 102 SER C 1.0 -79.5 -51.5 PHI 114 114 A 102 SER N A 102 SER CA A 102 SER C A 103 GLU N 1.0 -57.7 -6.9 PSI 115 115 A 102 SER C A 103 GLU N A 103 GLU CA A 103 GLU C 1.0 -80.1 -51.9 PHI 116 116 A 103 GLU N A 103 GLU CA A 103 GLU C A 104 ASN N 1.0 -67.6 11.8 PSI 117 117 A 103 GLU C A 104 ASN N A 104 ASN CA A 104 ASN C 1.0 -115.9 -41.5 PHI 118 118 A 104 ASN N A 104 ASN CA A 104 ASN C A 105 LYS N 1.0 -73.3 37.7 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 21 LYS N A 21 LYS H 1.0 . . . 2 2 A 22 LYS N A 22 LYS H 1.0 . . . 3 3 A 23 ARG N A 23 ARG H 1.0 . . . 4 4 A 24 ALA N A 24 ALA H 1.0 . . . 5 5 A 25 ARG N A 25 ARG H 1.0 . . . 6 6 A 26 LEU N A 26 LEU H 1.0 . . . 7 7 A 28 TYR N A 28 TYR H 1.0 . . . 8 8 A 30 SER N A 30 SER H 1.0 . . . 9 9 A 34 GLY N A 34 GLY H 1.0 . . . 10 10 A 36 LEU N A 36 LEU H 1.0 . . . 11 11 A 37 GLU N A 37 GLU H 1.0 . . . 12 12 A 38 THR N A 38 THR H 1.0 . . . 13 13 A 39 ASP N A 39 ASP H 1.0 . . . 14 14 A 40 LEU N A 40 LEU H 1.0 . . . 15 15 A 41 LEU N A 41 LEU H 1.0 . . . 16 16 A 43 SER N A 43 SER H 1.0 . . . 17 17 A 44 GLY N A 44 GLY H 1.0 . . . 18 18 A 45 PHE N A 45 PHE H 1.0 . . . 19 19 A 46 ALA N A 46 ALA H 1.0 . . . 20 20 A 47 ALA N A 47 ALA H 1.0 . . . 21 21 A 48 LYS N A 48 LYS H 1.0 . . . 22 22 A 49 TYR N A 49 TYR H 1.0 . . . 23 23 A 50 LEU N A 50 LEU H 1.0 . . . 24 24 A 51 LYS N A 51 LYS H 1.0 . . . 25 25 A 52 LYS N A 52 LYS H 1.0 . . . 26 26 A 53 MET N A 53 MET H 1.0 . . . 27 27 A 54 ASN N A 54 ASN H 1.0 . . . 28 28 A 55 GLU N A 55 GLU H 1.0 . . . 29 29 A 56 GLU N A 56 GLU H 1.0 . . . 30 30 A 57 GLU N A 57 GLU H 1.0 . . . 31 31 A 58 LEU N A 58 LEU H 1.0 . . . 32 32 A 60 GLU N A 60 GLU H 1.0 . . . 33 33 A 61 TYR N A 61 TYR H 1.0 . . . 34 34 A 62 ASP N A 62 ASP H 1.0 . . . 35 35 A 63 SER N A 63 SER H 1.0 . . . 36 36 A 64 LEU N A 64 LEU H 1.0 . . . 37 37 A 65 LEU N A 65 LEU H 1.0 . . . 38 38 A 66 ASN N A 66 ASN H 1.0 . . . 39 39 A 67 GLU N A 67 GLU H 1.0 . . . 40 40 A 68 LEU N A 68 LEU H 1.0 . . . 41 41 A 69 ASP N A 69 ASP H 1.0 . . . 42 42 A 71 ASP N A 71 ASP H 1.0 . . . 43 43 A 73 TYR N A 73 TYR H 1.0 . . . 44 44 A 74 TYR N A 74 TYR H 1.0 . . . 45 45 A 75 TRP N A 75 TRP H 1.0 . . . 46 46 A 76 ALA N A 76 ALA H 1.0 . . . 47 47 A 85 LEU N A 85 LEU H 1.0 . . . 48 48 A 87 ASP N A 87 ASP H 1.0 . . . 49 49 A 88 LYS N A 88 LYS H 1.0 . . . 50 50 A 89 TRP N A 89 TRP H 1.0 . . . 51 51 A 92 SER N A 92 SER H 1.0 . . . 52 52 A 93 LYS N A 93 LYS H 1.0 . . . 53 53 A 94 LEU N A 94 LEU H 1.0 . . . 54 54 A 96 LYS N A 96 LYS H 1.0 . . . 55 55 A 97 GLN N A 97 GLN H 1.0 . . . 56 56 A 98 LEU N A 98 LEU H 1.0 . . . 57 57 A 99 GLN N A 99 GLN H 1.0 . . . 58 58 A 100 GLU N A 100 GLU H 1.0 . . . 59 59 A 101 PHE N A 101 PHE H 1.0 . . . 60 60 A 102 SER N A 102 SER H 1.0 . . . stop_ save_ save_CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 21 LYS N A 21 LYS H 1.0 . . . 2 2 A 23 ARG N A 23 ARG H 1.0 . . . 3 3 A 24 ALA N A 24 ALA H 1.0 . . . 4 4 A 25 ARG N A 25 ARG H 1.0 . . . 5 5 A 26 LEU N A 26 LEU H 1.0 . . . 6 6 A 30 SER N A 30 SER H 1.0 . . . 7 7 A 41 LEU N A 41 LEU H 1.0 . . . 8 8 A 43 SER N A 43 SER H 1.0 . . . 9 9 A 44 GLY N A 44 GLY H 1.0 . . . 10 10 A 45 PHE N A 45 PHE H 1.0 . . . 11 11 A 46 ALA N A 46 ALA H 1.0 . . . 12 12 A 47 ALA N A 47 ALA H 1.0 . . . 13 13 A 48 LYS N A 48 LYS H 1.0 . . . 14 14 A 49 TYR N A 49 TYR H 1.0 . . . 15 15 A 50 LEU N A 50 LEU H 1.0 . . . 16 16 A 51 LYS N A 51 LYS H 1.0 . . . 17 17 A 52 LYS N A 52 LYS H 1.0 . . . 18 18 A 53 MET N A 53 MET H 1.0 . . . 19 19 A 54 ASN N A 54 ASN H 1.0 . . . 20 20 A 55 GLU N A 55 GLU H 1.0 . . . 21 21 A 56 GLU N A 56 GLU H 1.0 . . . 22 22 A 57 GLU N A 57 GLU H 1.0 . . . 23 23 A 58 LEU N A 58 LEU H 1.0 . . . 24 24 A 61 TYR N A 61 TYR H 1.0 . . . 25 25 A 62 ASP N A 62 ASP H 1.0 . . . 26 26 A 63 SER N A 63 SER H 1.0 . . . 27 27 A 64 LEU N A 64 LEU H 1.0 . . . 28 28 A 65 LEU N A 65 LEU H 1.0 . . . 29 29 A 66 ASN N A 66 ASN H 1.0 . . . 30 30 A 67 GLU N A 67 GLU H 1.0 . . . 31 31 A 68 LEU N A 68 LEU H 1.0 . . . 32 32 A 69 ASP N A 69 ASP H 1.0 . . . 33 33 A 70 TRP N A 70 TRP H 1.0 . . . 34 34 A 71 ASP N A 71 ASP H 1.0 . . . 35 35 A 74 TYR N A 74 TYR H 1.0 . . . 36 36 A 75 TRP N A 75 TRP H 1.0 . . . 37 37 A 76 ALA N A 76 ALA H 1.0 . . . 38 38 A 85 LEU N A 85 LEU H 1.0 . . . 39 39 A 87 ASP N A 87 ASP H 1.0 . . . 40 40 A 88 LYS N A 88 LYS H 1.0 . . . 41 41 A 89 TRP N A 89 TRP H 1.0 . . . 42 42 A 92 SER N A 92 SER H 1.0 . . . 43 43 A 93 LYS N A 93 LYS H 1.0 . . . 44 44 A 94 LEU N A 94 LEU H 1.0 . . . 45 45 A 96 LYS N A 96 LYS H 1.0 . . . 46 46 A 97 GLN N A 97 GLN H 1.0 . . . 47 47 A 99 GLN N A 99 GLN H 1.0 . . . 48 48 A 100 GLU N A 100 GLU H 1.0 . . . 49 49 A 101 PHE N A 101 PHE H 1.0 . . . 50 50 A 102 SER N A 102 SER H 1.0 . . . stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 4806 2 1H 9613 3 15N 2183 stop_ save_ save_ali _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode ali _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 9613 2 1H 9613 3 13C 8154 stop_ save_ save_aro _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode aro _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 4806 2 1H 9613 3 13C 8154 stop_ save_