data_nef_c18018_2ll0 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 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 THR middle . . 3 A 3 THR middle . . 4 A 4 PHE middle . . 5 A 5 ASP middle . . 6 A 6 ASP middle . . 7 A 7 ARG middle . . 8 A 8 GLU middle . . 9 A 9 ARG middle . . 10 A 10 ALA middle . . 11 A 11 HIS middle . . 12 A 12 GLU middle . . 13 A 13 ALA middle . . 14 A 14 LYS middle . . 15 A 15 PHE middle . . 16 A 16 ALA middle . . 17 A 17 HIS middle . . 18 A 18 ASP middle . . 19 A 19 ALA middle . . 20 A 20 GLU middle . . 21 A 21 LEU middle . . 22 A 22 ASN middle . . 23 A 23 PHE middle . . 24 A 24 LYS middle . . 25 A 25 ALA middle . . 26 A 26 GLU middle . . 27 A 27 ALA middle . . 28 A 28 ARG middle . . 29 A 29 ARG middle . . 30 A 30 ASN middle . . 31 A 31 ARG middle . . 32 A 32 LEU middle . . 33 A 33 LEU middle . . 34 A 34 GLY middle . false 35 A 35 GLU middle . . 36 A 36 TRP middle . . 37 A 37 ALA middle . . 38 A 38 ALA middle . . 39 A 39 GLY middle . false 40 A 40 LEU middle . . 41 A 41 LEU middle . . 42 A 42 GLY middle . false 43 A 43 LYS middle . . 44 A 44 THR middle . . 45 A 45 GLY middle . false 46 A 46 ASP middle . . 47 A 47 ASP middle . . 48 A 48 ALA middle . . 49 A 49 ARG middle . . 50 A 50 ALA middle . . 51 A 51 TYR middle . . 52 A 52 ALA middle . . 53 A 53 LEU middle . . 54 A 54 THR middle . . 55 A 55 VAL middle . . 56 A 56 VAL middle . . 57 A 57 THR middle . . 58 A 58 SER middle . . 59 A 59 ASP middle . . 60 A 60 PHE middle . . 61 A 61 ASP middle . . 62 A 62 GLU middle . . 63 A 63 PRO middle . false 64 A 64 GLY middle . false 65 A 65 ASP middle . . 66 A 66 GLU middle . . 67 A 67 ASP middle . . 68 A 68 VAL middle . . 69 A 69 PHE middle . . 70 A 70 ARG middle . . 71 A 71 LYS middle . . 72 A 72 LEU middle . . 73 A 73 ALA middle . . 74 A 74 ALA middle . . 75 A 75 ASP middle . . 76 A 76 LEU middle . . 77 A 77 GLU middle . . 78 A 78 GLY middle . false 79 A 79 LYS middle . . 80 A 80 ALA middle . . 81 A 81 ASP middle . . 82 A 82 GLU middle . . 83 A 83 GLU middle . . 84 A 84 THR middle . . 85 A 85 ILE middle . . 86 A 86 ARG middle . . 87 A 87 ALA middle . . 88 A 88 LYS middle . . 89 A 89 MET middle . . 90 A 90 VAL middle . . 91 A 91 GLU middle . . 92 A 92 LEU middle . . 93 A 93 ARG middle . . 94 A 94 ALA middle . . 95 A 95 THR middle . . 96 A 96 ALA middle . . 97 A 97 ARG middle . . 98 A 98 GLU middle . . 99 A 99 GLN middle . . 100 A 100 ILE middle . . 101 A 101 ILE middle . . 102 A 102 SER middle . . 103 A 103 GLU middle . . 104 A 104 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 4 PHE H H 1 8.328 0.007 A 4 PHE HA H 1 4.683 0.007 A 4 PHE HBy H 1 3.270 0.007 A 4 PHE HBx H 1 3.148 0.007 A 4 PHE CA C 13 57.607 0.17 A 4 PHE CB C 13 38.895 0.17 A 4 PHE CDx C 13 129.144 0.17 A 4 PHE N N 15 122.548 0.12 A 7 ARG H H 1 8.321 0.007 A 7 ARG HA H 1 4.256 0.007 A 7 ARG HBx H 1 1.967 0.007 A 7 ARG HBy H 1 1.967 0.007 A 7 ARG HDx H 1 2.792 0.007 A 7 ARG HDy H 1 2.792 0.007 A 7 ARG HGx H 1 1.796 0.007 A 7 ARG C C 13 176.683 0.17 A 7 ARG CA C 13 57.087 0.17 A 7 ARG CB C 13 29.362 0.17 A 7 ARG CD C 13 43.080 0.17 A 7 ARG CG C 13 26.831 0.17 A 7 ARG N N 15 121.962 0.12 A 8 GLU H H 1 8.388 0.007 A 8 GLU HA H 1 4.251 0.007 A 8 GLU HBx H 1 2.143 0.007 A 8 GLU HBy H 1 2.377 0.007 A 8 GLU HGx H 1 2.352 0.007 A 8 GLU HGy H 1 2.352 0.007 A 8 GLU C C 13 176.964 0.17 A 8 GLU CA C 13 56.933 0.17 A 8 GLU CB C 13 28.855 0.17 A 8 GLU CG C 13 35.681 0.17 A 8 GLU N N 15 121.095 0.12 A 9 ARG H H 1 8.268 0.007 A 9 ARG HA H 1 4.340 0.007 A 9 ARG HBx H 1 1.961 0.007 A 9 ARG HDx H 1 3.318 0.007 A 9 ARG HDy H 1 3.318 0.007 A 9 ARG HGx H 1 1.768 0.007 A 9 ARG HGy H 1 1.817 0.007 A 9 ARG C C 13 176.563 0.17 A 9 ARG CA C 13 56.413 0.17 A 9 ARG CB C 13 29.669 0.17 A 9 ARG CD C 13 42.662 0.17 A 9 ARG CG C 13 26.709 0.17 A 9 ARG N N 15 121.310 0.12 A 10 ALA H H 1 8.222 0.007 A 10 ALA HA H 1 4.318 0.007 A 10 ALA HB% H 1 1.508 0.007 A 10 ALA C C 13 178.129 0.17 A 10 ALA CA C 13 52.947 0.17 A 10 ALA CB C 13 17.756 0.17 A 10 ALA N N 15 124.224 0.12 A 11 HIS H H 1 8.486 0.007 A 11 HIS HA H 1 4.699 0.007 A 11 HIS HBx H 1 3.414 0.007 A 11 HIS HD2 H 1 7.224 0.007 A 11 HIS C C 13 175.013 0.17 A 11 HIS CA C 13 56.255 0.17 A 11 HIS CB C 13 28.767 0.17 A 11 HIS CD2 C 13 116.812 0.17 A 11 HIS N N 15 118.081 0.12 A 12 GLU H H 1 8.370 0.007 A 12 GLU HA H 1 4.278 0.007 A 12 GLU HBx H 1 2.210 0.007 A 12 GLU HBy H 1 2.210 0.007 A 12 GLU HGx H 1 2.420 0.007 A 12 GLU HGy H 1 2.420 0.007 A 12 GLU C C 13 176.808 0.17 A 12 GLU CA C 13 57.621 0.17 A 12 GLU CB C 13 28.853 0.17 A 12 GLU CG C 13 35.763 0.17 A 12 GLU N N 15 121.492 0.12 A 13 ALA H H 1 8.426 0.007 A 13 ALA HA H 1 4.304 0.007 A 13 ALA HB% H 1 1.579 0.007 A 13 ALA C C 13 178.197 0.17 A 13 ALA CA C 13 54.051 0.17 A 13 ALA CB C 13 17.788 0.17 A 13 ALA N N 15 123.583 0.12 A 14 LYS H H 1 8.073 0.007 A 14 LYS HA H 1 4.218 0.007 A 14 LYS HBx H 1 1.753 0.007 A 14 LYS HBy H 1 1.853 0.007 A 14 LYS HGx H 1 1.324 0.007 A 14 LYS HGy H 1 1.445 0.007 A 14 LYS C C 13 176.757 0.17 A 14 LYS CA C 13 57.110 0.17 A 14 LYS CB C 13 31.743 0.17 A 14 LYS CG C 13 24.028 0.17 A 14 LYS N N 15 119.772 0.12 A 15 PHE H H 1 7.926 0.007 A 15 PHE HA H 1 4.444 0.007 A 15 PHE HBx H 1 2.995 0.007 A 15 PHE HBy H 1 3.392 0.007 A 15 PHE HDy H 1 7.401 0.007 A 15 PHE HDx H 1 7.365 0.007 A 15 PHE C C 13 175.635 0.17 A 15 PHE CA C 13 59.001 0.17 A 15 PHE CB C 13 38.491 0.17 A 15 PHE CDy C 13 129.158 0.17 A 15 PHE CDx C 13 129.026 0.17 A 15 PHE N N 15 118.073 0.12 A 16 ALA H H 1 8.137 0.007 A 16 ALA HA H 1 4.306 0.007 A 16 ALA HB% H 1 1.480 0.007 A 16 ALA C C 13 177.641 0.17 A 16 ALA CA C 13 53.052 0.17 A 16 ALA CB C 13 18.021 0.17 A 16 ALA N N 15 122.453 0.12 A 17 HIS H H 1 8.051 0.007 A 17 HIS HA H 1 4.825 0.007 A 17 HIS HBx H 1 3.266 0.007 A 17 HIS HBy H 1 3.510 0.007 A 17 HIS HD2 H 1 7.388 0.007 A 17 HIS CA C 13 55.095 0.17 A 17 HIS CB C 13 28.958 0.17 A 17 HIS CD2 C 13 117.722 0.17 A 17 HIS N N 15 115.587 0.12 A 18 ASP H H 1 7.913 0.007 A 18 ASP HA H 1 4.790 0.007 A 18 ASP HBx H 1 2.665 0.007 A 18 ASP HBy H 1 2.967 0.007 A 18 ASP CA C 13 53.582 0.17 A 18 ASP CB C 13 40.787 0.17 A 18 ASP N N 15 121.432 0.12 A 19 ALA H H 1 8.599 0.007 A 19 ALA HA H 1 4.296 0.007 A 19 ALA HB% H 1 1.592 0.007 A 19 ALA CA C 13 54.047 0.17 A 19 ALA CB C 13 17.859 0.17 A 19 ALA N N 15 126.983 0.12 A 20 GLU H H 1 8.377 0.007 A 20 GLU HA H 1 4.329 0.007 A 20 GLU HBx H 1 2.288 0.007 A 20 GLU HBy H 1 2.288 0.007 A 20 GLU HGx H 1 2.467 0.007 A 20 GLU CA C 13 58.378 0.17 A 20 GLU CB C 13 28.877 0.17 A 20 GLU CG C 13 35.465 0.17 A 20 GLU N N 15 119.997 0.12 A 21 LEU H H 1 8.117 0.007 A 21 LEU HA H 1 4.163 0.007 A 21 LEU HBx H 1 1.684 0.007 A 21 LEU HBy H 1 1.731 0.007 A 21 LEU HDx% H 1 0.737 0.007 A 21 LEU HDy% H 1 0.912 0.007 A 21 LEU CA C 13 57.125 0.17 A 21 LEU CB C 13 41.030 0.17 A 21 LEU CDx C 13 23.646 0.17 A 21 LEU CDy C 13 24.384 0.17 A 21 LEU N N 15 122.484 0.12 A 22 ASN H H 1 8.507 0.007 A 22 ASN HA H 1 4.692 0.007 A 22 ASN HBy H 1 3.151 0.007 A 22 ASN HBx H 1 2.937 0.007 A 22 ASN HD2x H 1 7.110 0.007 A 22 ASN HD2y H 1 7.685 0.007 A 22 ASN CA C 13 56.338 0.17 A 22 ASN CB C 13 40.138 0.17 A 22 ASN N N 15 117.879 0.12 A 22 ASN ND2 N 15 114.862 0.12 A 23 PHE H H 1 8.465 0.007 A 23 PHE HA H 1 4.463 0.007 A 23 PHE HBx H 1 3.431 0.007 A 23 PHE HBy H 1 3.431 0.007 A 23 PHE HDx H 1 7.487 0.007 A 23 PHE CA C 13 60.239 0.17 A 23 PHE CB C 13 38.032 0.17 A 23 PHE CDx C 13 125.592 0.17 A 23 PHE CDy C 13 129.097 0.17 A 23 PHE N N 15 121.096 0.12 A 24 LYS H H 1 8.427 0.007 A 24 LYS HA H 1 4.171 0.007 A 24 LYS HBx H 1 2.009 0.007 A 24 LYS HBy H 1 2.251 0.007 A 24 LYS HDy H 1 1.879 0.007 A 24 LYS HDx H 1 1.831 0.007 A 24 LYS HEx H 1 3.139 0.007 A 24 LYS HEy H 1 3.139 0.007 A 24 LYS HGy H 1 2.009 0.007 A 24 LYS HGx H 1 1.665 0.007 A 24 LYS C C 13 179.309 0.17 A 24 LYS CA C 13 59.041 0.17 A 24 LYS CB C 13 32.387 0.17 A 24 LYS CD C 13 29.046 0.17 A 24 LYS CE C 13 41.527 0.17 A 24 LYS CG C 13 25.717 0.17 A 24 LYS N N 15 120.580 0.12 A 25 ALA H H 1 8.768 0.007 A 25 ALA HA H 1 4.121 0.007 A 25 ALA HB% H 1 1.586 0.007 A 25 ALA C C 13 178.243 0.17 A 25 ALA CA C 13 54.465 0.17 A 25 ALA CB C 13 17.699 0.17 A 25 ALA N N 15 123.682 0.12 A 26 GLU H H 1 8.532 0.007 A 26 GLU HA H 1 4.021 0.007 A 26 GLU HBy H 1 2.370 0.007 A 26 GLU HBx H 1 2.136 0.007 A 26 GLU C C 13 177.265 0.17 A 26 GLU CA C 13 58.461 0.17 A 26 GLU CB C 13 28.762 0.17 A 26 GLU CG C 13 35.454 0.17 A 26 GLU N N 15 122.051 0.12 A 27 ALA H H 1 8.048 0.007 A 27 ALA HA H 1 4.325 0.007 A 27 ALA HB% H 1 1.515 0.007 A 27 ALA C C 13 180.552 0.17 A 27 ALA CA C 13 54.169 0.17 A 27 ALA CB C 13 17.109 0.17 A 27 ALA N N 15 122.124 0.12 A 28 ARG H H 1 8.046 0.007 A 28 ARG HA H 1 4.412 0.007 A 28 ARG HBx H 1 2.173 0.007 A 28 ARG HBy H 1 2.173 0.007 A 28 ARG HDx H 1 3.315 0.007 A 28 ARG HDy H 1 3.315 0.007 A 28 ARG HGx H 1 1.478 0.007 A 28 ARG HGy H 1 1.478 0.007 A 28 ARG C C 13 176.309 0.17 A 28 ARG CA C 13 55.969 0.17 A 28 ARG CB C 13 26.915 0.17 A 28 ARG CG C 13 25.312 0.17 A 28 ARG N N 15 120.501 0.12 A 29 ARG H H 1 8.908 0.007 A 29 ARG HA H 1 3.698 0.007 A 29 ARG HBx H 1 1.961 0.007 A 29 ARG HBy H 1 1.961 0.007 A 29 ARG HGx H 1 2.433 0.007 A 29 ARG HGy H 1 2.433 0.007 A 29 ARG CA C 13 59.416 0.17 A 29 ARG CB C 13 28.148 0.17 A 29 ARG CD C 13 41.660 0.17 A 29 ARG CG C 13 28.183 0.17 A 29 ARG N N 15 122.842 0.12 A 30 ASN H H 1 8.402 0.007 A 30 ASN HA H 1 4.634 0.007 A 30 ASN HBx H 1 3.109 0.007 A 30 ASN HBy H 1 3.109 0.007 A 30 ASN HD2x H 1 7.630 0.007 A 30 ASN HD2y H 1 7.901 0.007 A 30 ASN C C 13 175.888 0.17 A 30 ASN CA C 13 55.407 0.17 A 30 ASN CB C 13 35.935 0.17 A 30 ASN N N 15 120.150 0.12 A 30 ASN ND2 N 15 112.296 0.12 A 31 ARG H H 1 7.996 0.007 A 31 ARG HA H 1 4.282 0.007 A 31 ARG HBx H 1 2.126 0.007 A 31 ARG HBy H 1 2.126 0.007 A 31 ARG C C 13 177.804 0.17 A 31 ARG CA C 13 58.950 0.17 A 31 ARG CB C 13 29.121 0.17 A 31 ARG N N 15 123.400 0.12 A 32 LEU H H 1 8.742 0.007 A 32 LEU HA H 1 4.291 0.007 A 32 LEU HBx H 1 1.746 0.007 A 32 LEU HBy H 1 2.213 0.007 A 32 LEU HDx% H 1 1.081 0.007 A 32 LEU HDy% H 1 0.980 0.007 A 32 LEU C C 13 180.602 0.17 A 32 LEU CA C 13 57.246 0.17 A 32 LEU CB C 13 41.170 0.17 A 32 LEU CDx C 13 21.153 0.17 A 32 LEU CDy C 13 24.652 0.17 A 32 LEU N N 15 119.872 0.12 A 33 LEU H H 1 9.249 0.007 A 33 LEU HA H 1 4.301 0.007 A 33 LEU HBx H 1 1.878 0.007 A 33 LEU HBy H 1 2.273 0.007 A 33 LEU HDx% H 1 0.908 0.007 A 33 LEU HDy% H 1 1.074 0.007 A 33 LEU C C 13 177.992 0.17 A 33 LEU CA C 13 57.015 0.17 A 33 LEU CB C 13 42.239 0.17 A 33 LEU CDx C 13 24.719 0.17 A 33 LEU CDy C 13 26.146 0.17 A 33 LEU N N 15 124.468 0.12 A 34 GLY H H 1 8.873 0.007 A 34 GLY HAx H 1 4.170 0.007 A 34 GLY HAy H 1 4.170 0.007 A 34 GLY C C 13 174.530 0.17 A 34 GLY CA C 13 47.447 0.17 A 34 GLY N N 15 109.045 0.12 A 35 GLU H H 1 8.920 0.007 A 35 GLU HA H 1 4.177 0.007 A 35 GLU HBx H 1 2.368 0.007 A 35 GLU HBy H 1 2.368 0.007 A 35 GLU HGy H 1 2.758 0.007 A 35 GLU HGx H 1 2.388 0.007 A 35 GLU C C 13 178.866 0.17 A 35 GLU CA C 13 59.031 0.17 A 35 GLU CB C 13 28.963 0.17 A 35 GLU CG C 13 36.391 0.17 A 35 GLU N N 15 123.414 0.12 A 36 TRP H H 1 8.510 0.007 A 36 TRP HA H 1 4.583 0.007 A 36 TRP HBy H 1 3.847 0.007 A 36 TRP HBx H 1 3.594 0.007 A 36 TRP HD1 H 1 7.548 0.007 A 36 TRP HE1 H 1 10.546 0.007 A 36 TRP HE3 H 1 7.938 0.007 A 36 TRP HH2 H 1 6.762 0.007 A 36 TRP HZ2 H 1 7.410 0.007 A 36 TRP HZ3 H 1 6.846 0.007 A 36 TRP C C 13 177.618 0.17 A 36 TRP CA C 13 59.618 0.17 A 36 TRP CB C 13 26.594 0.17 A 36 TRP CD1 C 13 124.570 0.17 A 36 TRP CE3 C 13 117.737 0.17 A 36 TRP CH2 C 13 120.133 0.17 A 36 TRP CZ2 C 13 112.177 0.17 A 36 TRP CZ3 C 13 117.769 0.17 A 36 TRP N N 15 124.774 0.12 A 36 TRP NE1 N 15 132.002 0.12 A 37 ALA H H 1 9.122 0.007 A 37 ALA HA H 1 3.377 0.007 A 37 ALA HB% H 1 1.723 0.007 A 37 ALA C C 13 177.427 0.17 A 37 ALA CA C 13 53.849 0.17 A 37 ALA CB C 13 19.046 0.17 A 37 ALA N N 15 123.777 0.12 A 38 ALA H H 1 8.772 0.007 A 38 ALA HA H 1 3.494 0.007 A 38 ALA HB% H 1 1.719 0.007 A 38 ALA C C 13 178.670 0.17 A 38 ALA CA C 13 54.443 0.17 A 38 ALA CB C 13 17.689 0.17 A 38 ALA N N 15 119.259 0.12 A 39 GLY H H 1 7.733 0.007 A 39 GLY HAy H 1 4.081 0.007 A 39 GLY HAx H 1 4.026 0.007 A 39 GLY C C 13 177.232 0.17 A 39 GLY CA C 13 46.422 0.17 A 39 GLY N N 15 104.027 0.12 A 40 LEU H H 1 7.492 0.007 A 40 LEU HA H 1 4.085 0.007 A 40 LEU HBy H 1 1.607 0.007 A 40 LEU HBx H 1 1.085 0.007 A 40 LEU HDx% H 1 0.761 0.007 A 40 LEU HDy% H 1 0.266 0.007 A 40 LEU HG H 1 1.277 0.007 A 40 LEU C C 13 178.203 0.17 A 40 LEU CA C 13 56.718 0.17 A 40 LEU CB C 13 41.339 0.17 A 40 LEU CDx C 13 22.707 0.17 A 40 LEU CDy C 13 24.719 0.17 A 40 LEU CG C 13 26.799 0.17 A 40 LEU N N 15 125.448 0.12 A 41 LEU H H 1 7.676 0.007 A 41 LEU HA H 1 4.107 0.007 A 41 LEU HBx H 1 1.480 0.007 A 41 LEU HBy H 1 1.593 0.007 A 41 LEU HDx% H 1 0.813 0.007 A 41 LEU HDy% H 1 0.218 0.007 A 41 LEU HG H 1 1.480 0.007 A 41 LEU C C 13 176.119 0.17 A 41 LEU CA C 13 53.882 0.17 A 41 LEU CB C 13 41.653 0.17 A 41 LEU CDx C 13 21.432 0.17 A 41 LEU CDy C 13 23.646 0.17 A 41 LEU CG C 13 25.122 0.17 A 41 LEU N N 15 117.234 0.12 A 42 GLY H H 1 7.869 0.007 A 42 GLY HAx H 1 3.892 0.007 A 42 GLY HAy H 1 4.142 0.007 A 42 GLY C C 13 173.775 0.17 A 42 GLY CA C 13 45.248 0.17 A 42 GLY N N 15 109.595 0.12 A 43 LYS H H 1 8.079 0.007 A 43 LYS HA H 1 4.712 0.007 A 43 LYS HBy H 1 1.594 0.007 A 43 LYS HBx H 1 1.381 0.007 A 43 LYS HEx H 1 2.669 0.007 A 43 LYS HGx H 1 1.205 0.007 A 43 LYS HGy H 1 1.558 0.007 A 43 LYS C C 13 175.246 0.17 A 43 LYS CA C 13 54.770 0.17 A 43 LYS CB C 13 33.771 0.17 A 43 LYS CE C 13 41.305 0.17 A 43 LYS CG C 13 24.719 0.17 A 43 LYS N N 15 119.965 0.12 A 44 THR H H 1 8.934 0.007 A 44 THR HA H 1 4.749 0.007 A 44 THR HB H 1 4.378 0.007 A 44 THR HG2% H 1 1.241 0.007 A 44 THR C C 13 174.392 0.17 A 44 THR CA C 13 58.992 0.17 A 44 THR CB C 13 71.762 0.17 A 44 THR CG2 C 13 20.627 0.17 A 44 THR N N 15 114.199 0.12 A 45 GLY H H 1 8.862 0.007 A 45 GLY HAx H 1 3.986 0.007 A 45 GLY HAy H 1 4.149 0.007 A 45 GLY C C 13 175.330 0.17 A 45 GLY CA C 13 46.145 0.17 A 45 GLY N N 15 109.657 0.12 A 46 ASP H H 1 9.283 0.007 A 46 ASP HA H 1 4.533 0.007 A 46 ASP HBx H 1 2.812 0.007 A 46 ASP HBy H 1 2.895 0.007 A 46 ASP C C 13 177.343 0.17 A 46 ASP CA C 13 56.485 0.17 A 46 ASP CB C 13 39.878 0.17 A 46 ASP N N 15 128.403 0.12 A 47 ASP H H 1 8.488 0.007 A 47 ASP HA H 1 4.636 0.007 A 47 ASP HBx H 1 2.934 0.007 A 47 ASP HBy H 1 3.152 0.007 A 47 ASP CA C 13 56.140 0.17 A 47 ASP CB C 13 39.976 0.17 A 47 ASP N N 15 121.367 0.12 A 48 ALA H H 1 7.235 0.007 A 48 ALA HA H 1 3.917 0.007 A 48 ALA HB% H 1 1.329 0.007 A 48 ALA CA C 13 54.047 0.17 A 48 ALA CB C 13 16.642 0.17 A 48 ALA N N 15 123.210 0.12 A 49 ARG H H 1 7.777 0.007 A 49 ARG HA H 1 4.108 0.007 A 49 ARG HBx H 1 2.051 0.007 A 49 ARG HBy H 1 2.051 0.007 A 49 ARG HDy H 1 3.377 0.007 A 49 ARG HGx H 1 1.733 0.007 A 49 ARG HGy H 1 1.858 0.007 A 49 ARG CA C 13 58.700 0.17 A 49 ARG CB C 13 29.565 0.17 A 49 ARG CD C 13 42.632 0.17 A 49 ARG CG C 13 26.866 0.17 A 49 ARG N N 15 120.088 0.12 A 50 ALA H H 1 8.350 0.007 A 50 ALA HA H 1 4.191 0.007 A 50 ALA HB% H 1 1.649 0.007 A 50 ALA CA C 13 54.083 0.17 A 50 ALA CB C 13 17.279 0.17 A 50 ALA N N 15 120.988 0.12 A 51 TYR H H 1 8.054 0.007 A 51 TYR HA H 1 4.201 0.007 A 51 TYR HBy H 1 3.245 0.007 A 51 TYR HBx H 1 2.985 0.007 A 51 TYR HDx H 1 7.035 0.007 A 51 TYR HDy H 1 7.035 0.007 A 51 TYR HEx H 1 6.729 0.007 A 51 TYR HEy H 1 6.729 0.007 A 51 TYR C C 13 178.335 0.17 A 51 TYR CA C 13 61.087 0.17 A 51 TYR CB C 13 37.840 0.17 A 51 TYR CDx C 13 129.412 0.17 A 51 TYR CDy C 13 129.444 0.17 A 51 TYR CEx C 13 115.525 0.17 A 51 TYR CEy C 13 115.525 0.17 A 51 TYR N N 15 119.264 0.12 A 52 ALA H H 1 8.611 0.007 A 52 ALA HA H 1 3.867 0.007 A 52 ALA HB% H 1 1.706 0.007 A 52 ALA C C 13 178.352 0.17 A 52 ALA CA C 13 55.070 0.17 A 52 ALA CB C 13 16.835 0.17 A 52 ALA N N 15 124.002 0.12 A 53 LEU H H 1 7.591 0.007 A 53 LEU HA H 1 4.284 0.007 A 53 LEU HBx H 1 1.767 0.007 A 53 LEU HBy H 1 1.942 0.007 A 53 LEU HDx% H 1 1.003 0.007 A 53 LEU HG H 1 1.982 0.007 A 53 LEU C C 13 177.452 0.17 A 53 LEU CA C 13 55.862 0.17 A 53 LEU CB C 13 41.275 0.17 A 53 LEU CDx C 13 22.233 0.17 A 53 LEU CG C 13 26.195 0.17 A 53 LEU N N 15 116.323 0.12 A 54 THR H H 1 7.947 0.007 A 54 THR HA H 1 4.392 0.007 A 54 THR HB H 1 4.322 0.007 A 54 THR HG2% H 1 1.419 0.007 A 54 THR CA C 13 62.390 0.17 A 54 THR CG2 C 13 20.780 0.17 A 54 THR N N 15 110.782 0.12 A 55 VAL H H 1 7.171 0.007 A 55 VAL HA H 1 3.882 0.007 A 55 VAL HB H 1 2.284 0.007 A 55 VAL HGx% H 1 1.013 0.007 A 55 VAL HGy% H 1 0.846 0.007 A 55 VAL CA C 13 62.744 0.17 A 55 VAL CB C 13 29.871 0.17 A 55 VAL CGy C 13 21.880 0.17 A 55 VAL CGx C 13 21.598 0.17 A 55 VAL N N 15 123.763 0.12 A 56 VAL H H 1 7.409 0.007 A 56 VAL HA H 1 4.390 0.007 A 56 VAL HB H 1 2.296 0.007 A 56 VAL HGx% H 1 1.036 0.007 A 56 VAL HGy% H 1 1.046 0.007 A 56 VAL CA C 13 60.780 0.17 A 56 VAL CB C 13 33.490 0.17 A 56 VAL CGx C 13 19.406 0.17 A 56 VAL CGy C 13 20.895 0.17 A 56 VAL N N 15 118.917 0.12 A 57 THR H H 1 7.916 0.007 A 57 THR HA H 1 4.532 0.007 A 57 THR HB H 1 4.303 0.007 A 57 THR HG2% H 1 1.248 0.007 A 57 THR CA C 13 60.614 0.17 A 57 THR CB C 13 68.892 0.17 A 57 THR CG2 C 13 20.675 0.17 A 57 THR N N 15 115.599 0.12 A 58 SER H H 1 8.580 0.007 A 58 SER HA H 1 4.547 0.007 A 58 SER HBy H 1 3.985 0.007 A 58 SER HBx H 1 3.916 0.007 A 58 SER CA C 13 57.770 0.17 A 58 SER CB C 13 63.162 0.17 A 58 SER N N 15 120.007 0.12 A 59 ASP H H 1 8.399 0.007 A 59 ASP HA H 1 4.690 0.007 A 59 ASP HBy H 1 2.675 0.007 A 59 ASP HBx H 1 2.539 0.007 A 59 ASP CA C 13 53.456 0.17 A 59 ASP CB C 13 40.748 0.17 A 59 ASP N N 15 122.731 0.12 A 60 PHE HA H 1 4.168 0.007 A 60 PHE HBx H 1 2.414 0.007 A 60 PHE HBy H 1 2.705 0.007 A 60 PHE HDx H 1 7.280 0.007 A 60 PHE HDy H 1 7.280 0.007 A 60 PHE CA C 13 60.054 0.17 A 60 PHE CB C 13 35.813 0.17 A 60 PHE CDy C 13 126.734 0.17 A 60 PHE CEy C 13 128.387 0.17 A 63 PRO HA H 1 4.596 0.007 A 63 PRO HBx H 1 2.426 0.007 A 63 PRO HDx H 1 3.888 0.007 A 63 PRO HDy H 1 3.888 0.007 A 63 PRO HGx H 1 2.120 0.007 A 63 PRO HGy H 1 2.200 0.007 A 63 PRO CA C 13 62.948 0.17 A 63 PRO CB C 13 31.527 0.17 A 63 PRO CD C 13 49.883 0.17 A 63 PRO CG C 13 26.921 0.17 A 64 GLY H H 1 8.725 0.007 A 64 GLY HAx H 1 4.174 0.007 A 64 GLY HAy H 1 4.272 0.007 A 64 GLY CA C 13 44.670 0.17 A 64 GLY N N 15 110.688 0.12 A 65 ASP H H 1 8.649 0.007 A 65 ASP HA H 1 4.663 0.007 A 65 ASP HBx H 1 2.820 0.007 A 65 ASP HBy H 1 2.891 0.007 A 65 ASP CA C 13 55.765 0.17 A 65 ASP CB C 13 40.462 0.17 A 65 ASP N N 15 122.028 0.12 A 67 ASP H H 1 8.181 0.007 A 67 ASP HA H 1 4.581 0.007 A 67 ASP HBy H 1 3.007 0.007 A 67 ASP HBx H 1 2.911 0.007 A 67 ASP CA C 13 56.553 0.17 A 67 ASP CB C 13 39.871 0.17 A 67 ASP N N 15 120.095 0.12 A 68 VAL H H 1 8.014 0.007 A 68 VAL HA H 1 3.817 0.007 A 68 VAL HB H 1 2.241 0.007 A 68 VAL HGx% H 1 1.077 0.007 A 68 VAL HGy% H 1 0.988 0.007 A 68 VAL CA C 13 65.715 0.17 A 68 VAL CB C 13 31.425 0.17 A 68 VAL CGy C 13 22.065 0.17 A 68 VAL CGx C 13 20.675 0.17 A 68 VAL N N 15 123.206 0.12 A 69 PHE H H 1 8.501 0.007 A 69 PHE HA H 1 4.122 0.007 A 69 PHE HBx H 1 3.230 0.007 A 69 PHE HBy H 1 3.324 0.007 A 69 PHE HDx H 1 7.291 0.007 A 69 PHE HDy H 1 7.291 0.007 A 69 PHE HEx H 1 7.439 0.007 A 69 PHE HEy H 1 7.439 0.007 A 69 PHE CA C 13 61.742 0.17 A 69 PHE CB C 13 38.241 0.17 A 69 PHE CDy C 13 129.514 0.17 A 69 PHE CEy C 13 128.380 0.17 A 69 PHE N N 15 120.318 0.12 A 70 ARG H H 1 8.598 0.007 A 70 ARG HA H 1 3.712 0.007 A 70 ARG HBy H 1 2.168 0.007 A 70 ARG HBx H 1 2.003 0.007 A 70 ARG HGx H 1 1.894 0.007 A 70 ARG C C 13 178.813 0.17 A 70 ARG CA C 13 58.846 0.17 A 70 ARG CB C 13 29.782 0.17 A 70 ARG CD C 13 42.748 0.17 A 70 ARG CG C 13 27.871 0.17 A 70 ARG N N 15 117.820 0.12 A 71 LYS H H 1 7.658 0.007 A 71 LYS HA H 1 4.223 0.007 A 71 LYS HBy H 1 2.151 0.007 A 71 LYS HGx H 1 1.789 0.007 A 71 LYS C C 13 177.020 0.17 A 71 LYS CA C 13 58.490 0.17 A 71 LYS CB C 13 31.886 0.17 A 71 LYS CD C 13 29.047 0.17 A 71 LYS CG C 13 26.730 0.17 A 71 LYS N N 15 121.726 0.12 A 72 LEU H H 1 8.173 0.007 A 72 LEU HA H 1 4.025 0.007 A 72 LEU HBy H 1 2.088 0.007 A 72 LEU HBx H 1 1.393 0.007 A 72 LEU HDy% H 1 1.100 0.007 A 72 LEU HG H 1 1.099 0.007 A 72 LEU C C 13 177.378 0.17 A 72 LEU CA C 13 56.986 0.17 A 72 LEU CB C 13 41.846 0.17 A 72 LEU CDy C 13 22.875 0.17 A 72 LEU CG C 13 26.393 0.17 A 72 LEU N N 15 119.355 0.12 A 73 ALA H H 1 9.151 0.007 A 73 ALA HA H 1 3.732 0.007 A 73 ALA HB% H 1 0.956 0.007 A 73 ALA C C 13 179.644 0.17 A 73 ALA CA C 13 53.824 0.17 A 73 ALA CB C 13 16.536 0.17 A 73 ALA N N 15 121.169 0.12 A 74 ALA H H 1 7.379 0.007 A 74 ALA HA H 1 4.363 0.007 A 74 ALA HB% H 1 1.649 0.007 A 74 ALA C C 13 179.752 0.17 A 74 ALA CA C 13 53.524 0.17 A 74 ALA CB C 13 17.644 0.17 A 74 ALA N N 15 119.383 0.12 A 75 ASP H H 1 8.474 0.007 A 75 ASP HA H 1 4.495 0.007 A 75 ASP HBy H 1 2.846 0.007 A 75 ASP HBx H 1 2.694 0.007 A 75 ASP C C 13 177.704 0.17 A 75 ASP CA C 13 55.987 0.17 A 75 ASP CB C 13 38.944 0.17 A 75 ASP N N 15 120.226 0.12 A 76 LEU H H 1 8.599 0.007 A 76 LEU HA H 1 4.392 0.007 A 76 LEU HBy H 1 2.007 0.007 A 76 LEU HBx H 1 1.684 0.007 A 76 LEU HDx% H 1 0.640 0.007 A 76 LEU HDy% H 1 0.683 0.007 A 76 LEU HG H 1 1.743 0.007 A 76 LEU C C 13 174.790 0.17 A 76 LEU CA C 13 52.624 0.17 A 76 LEU CB C 13 40.199 0.17 A 76 LEU CDx C 13 21.888 0.17 A 76 LEU CDy C 13 25.961 0.17 A 76 LEU CG C 13 26.084 0.17 A 76 LEU N N 15 115.468 0.12 A 77 GLU H H 1 7.115 0.007 A 77 GLU HA H 1 4.340 0.007 A 77 GLU HBy H 1 2.365 0.007 A 77 GLU HBx H 1 2.119 0.007 A 77 GLU HGx H 1 2.406 0.007 A 77 GLU HGy H 1 2.521 0.007 A 77 GLU C C 13 176.953 0.17 A 77 GLU CA C 13 58.311 0.17 A 77 GLU CB C 13 28.615 0.17 A 77 GLU CG C 13 35.157 0.17 A 77 GLU N N 15 124.833 0.12 A 78 GLY H H 1 9.371 0.007 A 78 GLY HAy H 1 4.454 0.007 A 78 GLY HAx H 1 3.855 0.007 A 78 GLY C C 13 173.075 0.17 A 78 GLY CA C 13 45.105 0.17 A 78 GLY N N 15 118.193 0.12 A 79 LYS H H 1 8.799 0.007 A 79 LYS HA H 1 4.631 0.007 A 79 LYS HBy H 1 1.789 0.007 A 79 LYS HBx H 1 1.677 0.007 A 79 LYS HDx H 1 1.584 0.007 A 79 LYS HDy H 1 1.682 0.007 A 79 LYS HEx H 1 3.102 0.007 A 79 LYS HEy H 1 3.102 0.007 A 79 LYS HGx H 1 1.390 0.007 A 79 LYS HGy H 1 1.390 0.007 A 79 LYS C C 13 175.050 0.17 A 79 LYS CA C 13 55.225 0.17 A 79 LYS CB C 13 34.062 0.17 A 79 LYS CD C 13 27.874 0.17 A 79 LYS CE C 13 41.884 0.17 A 79 LYS CG C 13 24.233 0.17 A 79 LYS N N 15 120.237 0.12 A 80 ALA H H 1 8.126 0.007 A 80 ALA HA H 1 4.864 0.007 A 80 ALA HB% H 1 1.474 0.007 A 80 ALA C C 13 174.051 0.17 A 80 ALA CA C 13 50.871 0.17 A 80 ALA CB C 13 21.127 0.17 A 80 ALA N N 15 121.135 0.12 A 81 ASP H H 1 8.283 0.007 A 81 ASP HA H 1 4.868 0.007 A 81 ASP HBx H 1 2.942 0.007 A 81 ASP HBy H 1 3.439 0.007 A 81 ASP CA C 13 50.969 0.17 A 81 ASP CB C 13 41.286 0.17 A 81 ASP N N 15 121.569 0.12 A 82 GLU H H 1 8.891 0.007 A 82 GLU HA H 1 4.166 0.007 A 82 GLU HBy H 1 2.488 0.007 A 82 GLU HBx H 1 2.360 0.007 A 82 GLU HGx H 1 2.407 0.007 A 82 GLU HGy H 1 2.407 0.007 A 82 GLU C C 13 177.350 0.17 A 82 GLU CA C 13 60.218 0.17 A 82 GLU CB C 13 28.625 0.17 A 82 GLU CG C 13 35.882 0.17 A 82 GLU N N 15 120.044 0.12 A 83 GLU H H 1 8.827 0.007 A 83 GLU HA H 1 4.147 0.007 A 83 GLU HBx H 1 2.184 0.007 A 83 GLU HBy H 1 2.270 0.007 A 83 GLU HGx H 1 2.489 0.007 A 83 GLU HGy H 1 2.489 0.007 A 83 GLU C C 13 178.794 0.17 A 83 GLU CA C 13 59.082 0.17 A 83 GLU CB C 13 28.375 0.17 A 83 GLU CG C 13 35.784 0.17 A 83 GLU N N 15 119.348 0.12 A 84 THR H H 1 8.552 0.007 A 84 THR HA H 1 4.131 0.007 A 84 THR HB H 1 3.819 0.007 A 84 THR HG2% H 1 1.608 0.007 A 84 THR C C 13 176.165 0.17 A 84 THR CA C 13 66.422 0.17 A 84 THR CB C 13 65.645 0.17 A 84 THR CG2 C 13 20.166 0.17 A 84 THR N N 15 119.678 0.12 A 85 ILE H H 1 8.571 0.007 A 85 ILE HA H 1 3.819 0.007 A 85 ILE HB H 1 2.239 0.007 A 85 ILE HD1% H 1 0.812 0.007 A 85 ILE HG1x H 1 1.065 0.007 A 85 ILE HG1y H 1 2.281 0.007 A 85 ILE HG2% H 1 1.226 0.007 A 85 ILE C C 13 174.809 0.17 A 85 ILE CA C 13 65.583 0.17 A 85 ILE CB C 13 38.490 0.17 A 85 ILE CD1 C 13 13.247 0.17 A 85 ILE CG1 C 13 29.137 0.17 A 85 ILE CG2 C 13 18.678 0.17 A 85 ILE N N 15 123.677 0.12 A 86 ARG H H 1 9.093 0.007 A 86 ARG HA H 1 4.171 0.007 A 86 ARG HBy H 1 2.038 0.007 A 86 ARG HBx H 1 1.883 0.007 A 86 ARG HDx H 1 3.032 0.007 A 86 ARG HDy H 1 3.073 0.007 A 86 ARG HGx H 1 1.701 0.007 A 86 ARG HGy H 1 1.946 0.007 A 86 ARG CA C 13 59.619 0.17 A 86 ARG CB C 13 28.858 0.17 A 86 ARG CD C 13 42.182 0.17 A 86 ARG CG C 13 27.919 0.17 A 86 ARG N N 15 119.556 0.12 A 87 ALA H H 1 8.206 0.007 A 87 ALA HA H 1 4.288 0.007 A 87 ALA HB% H 1 1.638 0.007 A 87 ALA CA C 13 54.155 0.17 A 87 ALA CB C 13 17.072 0.17 A 87 ALA N N 15 121.431 0.12 A 88 LYS H H 1 8.145 0.007 A 88 LYS HA H 1 3.982 0.007 A 88 LYS HBx H 1 1.299 0.007 A 88 LYS HBy H 1 1.374 0.007 A 88 LYS HGy H 1 1.132 0.007 A 88 LYS CA C 13 55.873 0.17 A 88 LYS CB C 13 29.823 0.17 A 88 LYS CG C 13 26.181 0.17 A 88 LYS N N 15 122.850 0.12 A 89 MET H H 1 8.468 0.007 A 89 MET HA H 1 3.810 0.007 A 89 MET HBx H 1 2.466 0.007 A 89 MET HBy H 1 3.122 0.007 A 89 MET HGy H 1 1.071 0.007 A 89 MET CA C 13 60.096 0.17 A 89 MET CB C 13 32.329 0.17 A 89 MET CE C 13 15.620 0.17 A 89 MET CG C 13 26.155 0.17 A 89 MET N N 15 118.786 0.12 A 90 VAL H H 1 7.504 0.007 A 90 VAL HA H 1 3.827 0.007 A 90 VAL HB H 1 2.286 0.007 A 90 VAL HGx% H 1 1.216 0.007 A 90 VAL HGy% H 1 1.106 0.007 A 90 VAL C C 13 178.017 0.17 A 90 VAL CA C 13 65.625 0.17 A 90 VAL CB C 13 31.739 0.17 A 90 VAL CGy C 13 21.777 0.17 A 90 VAL CGx C 13 20.462 0.17 A 90 VAL N N 15 120.770 0.12 A 91 GLU H H 1 8.486 0.007 A 91 GLU HA H 1 3.788 0.007 A 91 GLU HBx H 1 2.221 0.007 A 91 GLU HBy H 1 2.221 0.007 A 91 GLU HGx H 1 2.357 0.007 A 91 GLU HGy H 1 2.357 0.007 A 91 GLU C C 13 177.612 0.17 A 91 GLU CA C 13 58.414 0.17 A 91 GLU CB C 13 31.444 0.17 A 91 GLU CG C 13 35.584 0.17 A 91 GLU N N 15 124.409 0.12 A 92 LEU H H 1 8.823 0.007 A 92 LEU HA H 1 4.390 0.007 A 92 LEU HBx H 1 1.537 0.007 A 92 LEU HBy H 1 1.824 0.007 A 92 LEU HDx% H 1 0.770 0.007 A 92 LEU HDy% H 1 0.968 0.007 A 92 LEU HG H 1 1.805 0.007 A 92 LEU C C 13 177.928 0.17 A 92 LEU CA C 13 55.634 0.17 A 92 LEU CB C 13 40.341 0.17 A 92 LEU CDy C 13 24.450 0.17 A 92 LEU CDx C 13 21.301 0.17 A 92 LEU CG C 13 26.370 0.17 A 92 LEU N N 15 114.680 0.12 A 93 ARG H H 1 7.690 0.007 A 93 ARG HA H 1 3.943 0.007 A 93 ARG HBx H 1 2.153 0.007 A 93 ARG HDy H 1 3.239 0.007 A 93 ARG HGx H 1 1.633 0.007 A 93 ARG HGy H 1 1.633 0.007 A 93 ARG C C 13 176.350 0.17 A 93 ARG CA C 13 59.581 0.17 A 93 ARG CB C 13 28.903 0.17 A 93 ARG CD C 13 41.564 0.17 A 93 ARG CG C 13 27.164 0.17 A 93 ARG N N 15 123.603 0.12 A 94 ALA H H 1 7.269 0.007 A 94 ALA HA H 1 4.261 0.007 A 94 ALA HB% H 1 1.708 0.007 A 94 ALA C C 13 179.805 0.17 A 94 ALA CA C 13 54.529 0.17 A 94 ALA CB C 13 16.936 0.17 A 94 ALA N N 15 122.480 0.12 A 95 THR H H 1 8.282 0.007 A 95 THR HA H 1 4.045 0.007 A 95 THR HB H 1 4.114 0.007 A 95 THR HG2% H 1 1.339 0.007 A 95 THR C C 13 175.007 0.17 A 95 THR CA C 13 65.569 0.17 A 95 THR CB C 13 68.334 0.17 A 95 THR CG2 C 13 21.364 0.17 A 95 THR N N 15 116.936 0.12 A 96 ALA H H 1 8.681 0.007 A 96 ALA HA H 1 3.862 0.007 A 96 ALA HB% H 1 1.644 0.007 A 96 ALA C C 13 178.184 0.17 A 96 ALA CA C 13 54.749 0.17 A 96 ALA CB C 13 18.770 0.17 A 96 ALA N N 15 124.095 0.12 A 97 ARG H H 1 8.070 0.007 A 97 ARG HA H 1 3.786 0.007 A 97 ARG HBx H 1 1.777 0.007 A 97 ARG HGx H 1 1.741 0.007 A 97 ARG C C 13 176.770 0.17 A 97 ARG CA C 13 59.561 0.17 A 97 ARG CB C 13 29.616 0.17 A 97 ARG CG C 13 27.753 0.17 A 97 ARG N N 15 117.328 0.12 A 98 GLU H H 1 7.855 0.007 A 98 GLU HA H 1 4.115 0.007 A 98 GLU HBx H 1 2.307 0.007 A 98 GLU HBy H 1 2.361 0.007 A 98 GLU HGx H 1 2.484 0.007 A 98 GLU HGy H 1 2.564 0.007 A 98 GLU C C 13 178.865 0.17 A 98 GLU CA C 13 58.489 0.17 A 98 GLU CB C 13 28.512 0.17 A 98 GLU CG C 13 35.743 0.17 A 98 GLU N N 15 118.245 0.12 A 99 GLN H H 1 8.312 0.007 A 99 GLN HA H 1 4.171 0.007 A 99 GLN HBy H 1 2.302 0.007 A 99 GLN HBx H 1 2.041 0.007 A 99 GLN HE2x H 1 6.515 0.007 A 99 GLN HE2y H 1 7.579 0.007 A 99 GLN HGx H 1 2.560 0.007 A 99 GLN HGy H 1 2.986 0.007 A 99 GLN C C 13 178.146 0.17 A 99 GLN CA C 13 58.245 0.17 A 99 GLN CB C 13 27.094 0.17 A 99 GLN CG C 13 33.058 0.17 A 99 GLN N N 15 119.735 0.12 A 99 GLN NE2 N 15 109.393 0.12 A 100 ILE H H 1 8.445 0.007 A 100 ILE HA H 1 3.950 0.007 A 100 ILE HB H 1 2.357 0.007 A 100 ILE HD1% H 1 0.897 0.007 A 100 ILE HG1y H 1 1.924 0.007 A 100 ILE HG1x H 1 1.318 0.007 A 100 ILE HG2% H 1 1.195 0.007 A 100 ILE C C 13 178.315 0.17 A 100 ILE CA C 13 61.604 0.17 A 100 ILE CB C 13 35.496 0.17 A 100 ILE CD1 C 13 9.854 0.17 A 100 ILE CG1 C 13 27.860 0.17 A 100 ILE CG2 C 13 18.419 0.17 A 100 ILE N N 15 119.864 0.12 A 101 ILE H H 1 8.329 0.007 A 101 ILE HA H 1 4.012 0.007 A 101 ILE HB H 1 2.133 0.007 A 101 ILE HD1% H 1 0.848 0.007 A 101 ILE HG1y H 1 1.687 0.007 A 101 ILE HG1x H 1 1.505 0.007 A 101 ILE HG2% H 1 1.020 0.007 A 101 ILE C C 13 177.006 0.17 A 101 ILE CA C 13 62.977 0.17 A 101 ILE CB C 13 36.661 0.17 A 101 ILE CD1 C 13 11.818 0.17 A 101 ILE CG1 C 13 28.168 0.17 A 101 ILE CG2 C 13 16.836 0.17 A 101 ILE N N 15 120.514 0.12 A 102 SER H H 1 7.882 0.007 A 102 SER HA H 1 4.562 0.007 A 102 SER HBy H 1 4.247 0.007 A 102 SER HBx H 1 4.179 0.007 A 102 SER C C 13 173.845 0.17 A 102 SER CA C 13 59.502 0.17 A 102 SER CB C 13 63.012 0.17 A 102 SER N N 15 116.172 0.12 A 103 GLU H H 1 7.735 0.007 A 103 GLU HA H 1 4.440 0.007 A 103 GLU HBy H 1 2.344 0.007 A 103 GLU HBx H 1 2.123 0.007 A 103 GLU HGx H 1 2.429 0.007 A 103 GLU HGy H 1 2.695 0.007 A 103 GLU C C 13 175.095 0.17 A 103 GLU CA C 13 55.628 0.17 A 103 GLU CB C 13 29.813 0.17 A 103 GLU CG C 13 35.671 0.17 A 103 GLU N N 15 122.642 0.12 A 104 ILE H H 1 7.445 0.007 A 104 ILE HA H 1 4.060 0.007 A 104 ILE HB H 1 1.992 0.007 A 104 ILE HD1% H 1 1.013 0.007 A 104 ILE HG1x H 1 1.282 0.007 A 104 ILE HG1y H 1 1.815 0.007 A 104 ILE CA C 13 63.635 0.17 A 104 ILE CB C 13 38.347 0.17 A 104 ILE CD1 C 13 13.443 0.17 A 104 ILE CG1 C 13 26.752 0.17 A 104 ILE CG2 C 13 19.070 0.17 A 104 ILE N N 15 126.167 0.12 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 51 TYR HE% A 34 GLY HAx 1.0 . 4.25 2 1 A 34 GLY HAy A 51 TYR HE% 1.0 . 4.25 3 2 A 52 ALA HB% A 34 GLY HAx 1.0 . 4.12 4 2 A 34 GLY HAy A 52 ALA HB% 1.0 . 4.12 5 3 A 39 GLY HAy A 40 LEU HG 1.0 . 5.11 6 4 A 40 LEU HG A 39 GLY HAx 1.0 . 5.07 7 5 A 39 GLY HAx A 38 ALA HB% 1.0 . 5.50 8 6 A 39 GLY HAx A 40 LEU HDy% 1.0 . 5.50 9 7 A 44 THR HA A 45 GLY HAy 1.0 . 4.75 10 8 A 78 GLY HAy A 80 ALA H 1.0 . 5.30 11 9 A 78 GLY HAx A 79 LYS HGx 1.0 . 5.50 12 9 A 78 GLY HAx A 79 LYS HGy 1.0 . 5.50 13 10 A 78 GLY HAy A 77 GLU HBx 1.0 . 5.33 14 11 A 78 GLY HAy A 79 LYS HGx 1.0 . 5.13 15 11 A 78 GLY HAy A 79 LYS HGy 1.0 . 5.13 16 12 A 9 ARG H A 9 ARG HDx 1.0 . 4.70 17 12 A 9 ARG H A 9 ARG HDy 1.0 . 4.70 18 13 A 8 GLU HA A 9 ARG HDx 1.0 . 4.16 19 13 A 9 ARG HDy A 8 GLU HA 1.0 . 4.16 20 14 A 9 ARG HGx A 9 ARG HDx 1.0 . 2.83 21 14 A 9 ARG HDy A 9 ARG HGx 1.0 . 2.83 22 15 A 9 ARG HBx A 9 ARG HDx 1.0 . 2.94 23 15 A 9 ARG HDy A 9 ARG HBx 1.0 . 2.94 24 16 A 49 ARG H A 49 ARG HDy 1.0 . 4.34 25 17 A 49 ARG HDy A 49 ARG HBx 1.0 . 2.86 26 17 A 49 ARG HDy A 49 ARG HBy 1.0 . 2.86 27 18 A 49 ARG HDy A 49 ARG HGx 1.0 . 2.72 28 19 A 30 ASN HA A 33 LEU HBx 1.0 . 4.16 29 20 A 86 ARG HA A 86 ARG HDy 1.0 . 5.16 30 21 A 69 PHE HE% A 86 ARG HDx 1.0 . 5.39 31 22 A 86 ARG HDx A 69 PHE HD% 1.0 . 4.24 32 23 A 86 ARG HDy A 86 ARG HBx 1.0 . 3.45 33 24 A 79 LYS H A 79 LYS HEx 1.0 . 5.19 34 24 A 79 LYS H A 79 LYS HEy 1.0 . 5.19 35 25 A 76 LEU HDx% A 79 LYS HEx 1.0 . 4.92 36 25 A 79 LYS HEy A 76 LEU HDx% 1.0 . 4.92 37 26 A 79 LYS HA A 79 LYS HEx 1.0 . 5.01 38 26 A 79 LYS HEy A 79 LYS HA 1.0 . 5.01 39 27 A 41 LEU HA A 79 LYS HEx 1.0 . 3.41 40 27 A 79 LYS HEy A 41 LEU HA 1.0 . 3.41 41 28 A 41 LEU HDy% A 79 LYS HEx 1.0 . 5.24 42 28 A 79 LYS HEy A 41 LEU HDy% 1.0 . 5.24 43 29 A 72 LEU HBy A 76 LEU HDy% 1.0 . 4.67 44 30 A 72 LEU HBy A 85 ILE HD1% 1.0 . 4.59 45 31 A 41 LEU HBx A 43 LYS HEx 1.0 . 4.88 46 32 A 72 LEU HBx A 73 ALA H 1.0 . 4.14 47 33 A 72 LEU HBx A 72 LEU H 1.0 . 4.10 48 34 A 85 ILE HD1% A 72 LEU HBx 1.0 . 4.39 49 35 A 76 LEU HDy% A 72 LEU HBx 1.0 . 4.16 50 36 A 92 LEU HBx A 93 ARG HDy 1.0 . 4.19 51 37 A 41 LEU H A 79 LYS HEx 1.0 . 5.43 52 37 A 79 LYS HEy A 41 LEU H 1.0 . 5.43 53 38 A 79 LYS HDy A 79 LYS HEx 1.0 . 2.89 54 38 A 79 LYS HEy A 79 LYS HDy 1.0 . 2.89 55 39 A 79 LYS HEx A 79 LYS HGx 1.0 . 3.11 56 39 A 79 LYS HEy A 79 LYS HGx 1.0 . 3.11 57 39 A 79 LYS HGy A 79 LYS HEx 1.0 . 3.11 58 39 A 79 LYS HGy A 79 LYS HEy 1.0 . 3.11 59 40 A 41 LEU HDx% A 79 LYS HEx 1.0 . 3.51 60 40 A 79 LYS HEy A 41 LEU HDx% 1.0 . 3.51 61 41 A 41 LEU HBx A 40 LEU H 1.0 . 5.50 62 42 A 41 LEU HBx A 38 ALA HA 1.0 . 4.12 63 43 A 41 LEU HBx A 42 GLY H 1.0 . 5.34 64 44 A 41 LEU HBx A 41 LEU HDx% 1.0 . 3.88 65 45 A 76 LEU HDx% A 41 LEU HBx 1.0 . 4.90 66 46 A 41 LEU HDy% A 41 LEU HBx 1.0 . 3.75 67 47 A 93 ARG HDy A 29 ARG HGx 1.0 . 4.87 68 47 A 93 ARG HDy A 29 ARG HGy 1.0 . 4.87 69 48 A 93 ARG HDy A 93 ARG HA 1.0 . 5.12 70 49 A 24 LYS H A 24 LYS HEx 1.0 . 4.49 71 49 A 24 LYS H A 24 LYS HEy 1.0 . 4.49 72 50 A 24 LYS HEy A 15 PHE HDy 1.0 . 4.80 73 50 A 15 PHE HDy A 24 LYS HEx 1.0 . 4.80 74 50 A 24 LYS HEy A 15 PHE HDx 1.0 . 4.80 75 50 A 15 PHE HDx A 24 LYS HEx 1.0 . 4.80 76 51 A 24 LYS HGy A 24 LYS HEx 1.0 . 3.31 77 51 A 24 LYS HEy A 24 LYS HGy 1.0 . 3.31 78 52 A 24 LYS HDx A 24 LYS HEx 1.0 . 2.99 79 52 A 24 LYS HEy A 24 LYS HDx 1.0 . 2.99 80 53 A 24 LYS HA A 24 LYS HEx 1.0 . 4.33 81 53 A 24 LYS HEy A 24 LYS HA 1.0 . 4.33 82 54 A 24 LYS HBy A 24 LYS HEx 1.0 . 4.22 83 54 A 24 LYS HEy A 24 LYS HBy 1.0 . 4.22 84 55 A 24 LYS HGx A 24 LYS HEx 1.0 . 3.31 85 55 A 24 LYS HEy A 24 LYS HGx 1.0 . 3.31 86 56 A 100 ILE HG2% A 24 LYS HEx 1.0 . 5.43 87 56 A 24 LYS HEy A 100 ILE HG2% 1.0 . 5.43 88 57 A 40 LEU HDy% A 40 LEU HBy 1.0 . 3.65 89 58 A 41 LEU H A 40 LEU HBy 1.0 . 3.52 90 59 A 81 ASP HBx A 82 GLU HA 1.0 . 5.05 91 60 A 43 LYS HEx A 43 LYS HGy 1.0 . 3.52 92 61 A 43 LYS HEx A 43 LYS HGx 1.0 . 3.52 93 62 A 43 LYS HEx A 41 LEU HDx% 1.0 . 5.50 94 63 A 41 LEU HDy% A 43 LYS HEx 1.0 . 4.08 95 64 A 40 LEU HBy A 37 ALA HA 1.0 . 3.56 96 65 A 76 LEU HDx% A 40 LEU HBy 1.0 . 4.16 97 66 A 40 LEU HDy% A 40 LEU HBx 1.0 . 3.78 98 67 A 40 LEU H A 40 LEU HBx 1.0 . 3.69 99 68 A 37 ALA HA A 40 LEU HBx 1.0 . 4.06 100 69 A 81 ASP HBx A 82 GLU H 1.0 . 3.44 101 70 A 32 LEU HBy A 33 LEU H 1.0 . 4.10 102 71 A 32 LEU HBy A 32 LEU H 1.0 . 3.73 103 72 A 32 LEU HBy A 29 ARG HA 1.0 . 4.26 104 73 A 32 LEU HBy A 32 LEU HDy% 1.0 . 3.53 105 74 A 53 LEU HBy A 54 THR H 1.0 . 4.49 106 75 A 53 LEU HBy A 53 LEU HDx% 1.0 . 3.40 107 76 A 53 LEU H A 53 LEU HBx 1.0 . 3.82 108 77 A 32 LEU HDy% A 32 LEU HBx 1.0 . 3.18 109 78 A 29 ARG HA A 32 LEU HBx 1.0 . 4.84 110 79 A 33 LEU H A 32 LEU HBx 1.0 . 4.24 111 80 A 21 LEU HBy A 22 ASN HD2y 1.0 . 5.50 112 81 A 21 LEU HBy A 15 PHE HDx 1.0 . 4.34 113 81 A 21 LEU HBy A 15 PHE HDy 1.0 . 4.34 114 82 A 21 LEU H A 21 LEU HBx 1.0 . 3.42 115 83 A 21 LEU HBx A 15 PHE HDy 1.0 . 4.32 116 83 A 21 LEU HBx A 15 PHE HDx 1.0 . 4.32 117 84 A 21 LEU HBx A 21 LEU HDx% 1.0 . 3.83 118 85 A 59 ASP H A 59 ASP HBy 1.0 . 3.77 119 86 A 18 ASP H A 18 ASP HBx 1.0 . 4.08 120 87 A 18 ASP HBx A 19 ALA H 1.0 . 4.54 121 88 A 59 ASP H A 59 ASP HBx 1.0 . 3.63 122 89 A 21 LEU H A 18 ASP HBy 1.0 . 5.07 123 90 A 65 ASP H A 65 ASP HBx 1.0 . 3.79 124 91 A 92 LEU HBy A 93 ARG H 1.0 . 4.88 125 92 A 92 LEU HBy A 92 LEU HDy% 1.0 . 4.12 126 93 A 92 LEU HBy A 92 LEU HDx% 1.0 . 3.87 127 94 A 79 LYS H A 76 LEU HBx 1.0 . 5.18 128 95 A 40 LEU HDy% A 76 LEU HBx 1.0 . 5.41 129 96 A 92 LEU HBx A 93 ARG H 1.0 . 5.34 130 97 A 92 LEU HBx A 95 THR HB 1.0 . 5.30 131 98 A 92 LEU HBx A 92 LEU H 1.0 . 4.15 132 99 A 49 ARG H A 47 ASP HBy 1.0 . 5.06 133 100 A 47 ASP HBy A 48 ALA HA 1.0 . 4.85 134 101 A 47 ASP HA A 47 ASP HBx 1.0 . 2.98 135 102 A 79 LYS H A 76 LEU HBy 1.0 . 4.86 136 103 A 93 ARG HDy A 92 LEU HBy 1.0 . 4.92 137 104 A 76 LEU HBx A 76 LEU H 1.0 . 3.95 138 105 A 76 LEU HDx% A 76 LEU HBx 1.0 . 3.54 139 106 A 47 ASP HBy A 48 ALA H 1.0 . 3.46 140 107 A 47 ASP HBy A 43 LYS HBy 1.0 . 4.54 141 108 A 47 ASP HBy A 48 ALA HB% 1.0 . 4.52 142 109 A 47 ASP HBx A 44 THR H 1.0 . 3.90 143 110 A 47 ASP HBx A 48 ALA H 1.0 . 3.44 144 111 A 67 ASP HBx A 68 VAL HGx% 1.0 . 5.09 145 112 A 68 VAL HGx% A 67 ASP HBy 1.0 . 5.50 146 113 A 67 ASP HBy A 68 VAL H 1.0 . 4.77 147 114 A 67 ASP HBx A 67 ASP H 1.0 . 4.01 148 115 A 67 ASP HBx A 68 VAL H 1.0 . 4.43 149 116 A 46 ASP H A 46 ASP HBy 1.0 . 4.19 150 117 A 46 ASP HBy A 47 ASP H 1.0 . 3.92 151 118 A 46 ASP HBx A 49 ARG HBx 1.0 . 4.78 152 118 A 49 ARG HBy A 46 ASP HBx 1.0 . 4.78 153 119 A 46 ASP HBy A 50 ALA HB% 1.0 . 5.50 154 120 A 51 TYR HE% A 75 ASP HBy 1.0 . 5.36 155 121 A 75 ASP HBy A 37 ALA HB% 1.0 . 4.70 156 122 A 41 LEU HDy% A 75 ASP HBy 1.0 . 4.66 157 123 A 76 LEU H A 75 ASP HBx 1.0 . 3.97 158 124 A 75 ASP HBx A 75 ASP H 1.0 . 3.80 159 125 A 51 TYR HE% A 75 ASP HBx 1.0 . 5.12 160 126 A 75 ASP HBx A 72 LEU HA 1.0 . 3.94 161 127 A 37 ALA HB% A 75 ASP HBx 1.0 . 4.54 162 128 A 41 LEU HDy% A 75 ASP HBx 1.0 . 4.40 163 129 A 15 PHE H A 15 PHE HBy 1.0 . 3.74 164 130 A 82 GLU HA A 85 ILE HB 1.0 . 3.61 165 131 A 103 GLU H A 104 ILE HB 1.0 . 5.20 166 132 A 69 PHE H A 69 PHE HBy 1.0 . 3.71 167 133 A 23 PHE H A 23 PHE HBx 1.0 . 2.89 168 133 A 23 PHE H A 23 PHE HBy 1.0 . 2.89 169 134 A 24 LYS HA A 23 PHE HBx 1.0 . 4.53 170 134 A 24 LYS HA A 23 PHE HBy 1.0 . 4.53 171 135 A 24 LYS HBy A 23 PHE HBx 1.0 . 4.61 172 135 A 24 LYS HBy A 23 PHE HBy 1.0 . 4.61 173 136 A 24 LYS HGy A 23 PHE HBx 1.0 . 5.14 174 136 A 24 LYS HGy A 23 PHE HBy 1.0 . 5.14 175 137 A 43 LYS HGy A 51 TYR HBy 1.0 . 4.25 176 138 A 38 ALA HB% A 51 TYR HBy 1.0 . 4.42 177 139 A 35 GLU HGy A 36 TRP H 1.0 . 5.07 178 140 A 35 GLU H A 35 GLU HGx 1.0 . 3.72 179 141 A 52 ALA HB% A 35 GLU HGx 1.0 . 3.98 180 142 A 30 ASN HD2y A 30 ASN HBx 1.0 . 4.01 181 142 A 30 ASN HBy A 30 ASN HD2y 1.0 . 4.01 182 143 A 103 GLU HGy A 104 ILE H 1.0 . 3.94 183 144 A 83 GLU HA A 83 GLU HGx 1.0 . 2.96 184 144 A 83 GLU HA A 83 GLU HGy 1.0 . 2.96 185 145 A 69 PHE HE% A 82 GLU HGx 1.0 . 4.03 186 145 A 69 PHE HE% A 82 GLU HGy 1.0 . 4.03 187 146 A 103 GLU HGy A 100 ILE HA 1.0 . 5.01 188 147 A 103 GLU HGy A 103 GLU HA 1.0 . 3.68 189 148 A 98 GLU HA A 98 GLU HGy 1.0 . 3.56 190 149 A 98 GLU HGy A 99 GLN H 1.0 . 4.86 191 150 A 98 GLU HGy A 98 GLU H 1.0 . 4.23 192 151 A 12 GLU H A 12 GLU HGx 1.0 . 3.37 193 151 A 12 GLU H A 12 GLU HGy 1.0 . 3.37 194 152 A 12 GLU HA A 12 GLU HGx 1.0 . 3.31 195 152 A 12 GLU HGy A 12 GLU HA 1.0 . 3.31 196 153 A 12 GLU HBy A 12 GLU HGx 1.0 . 2.40 197 153 A 12 GLU HBx A 12 GLU HGx 1.0 . 2.40 198 153 A 12 GLU HGy A 12 GLU HBx 1.0 . 2.40 199 153 A 12 GLU HGy A 12 GLU HBy 1.0 . 2.40 200 154 A 91 GLU HA A 91 GLU HGx 1.0 . 4.05 201 154 A 91 GLU HA A 91 GLU HGy 1.0 . 4.05 202 155 A 100 ILE HB A 100 ILE HD1% 1.0 . 4.03 203 156 A 77 GLU HA A 77 GLU HGx 1.0 . 3.95 204 157 A 77 GLU HA A 77 GLU HGy 1.0 . 3.39 205 158 A 80 ALA H A 79 LYS HBy 1.0 . 4.11 206 159 A 40 LEU HDy% A 79 LYS HBy 1.0 . 4.83 207 160 A 79 LYS H A 79 LYS HBy 1.0 . 3.82 208 161 A 79 LYS HBy A 76 LEU HA 1.0 . 4.97 209 162 A 40 LEU HBx A 79 LYS HBy 1.0 . 4.44 210 163 A 79 LYS HBy A 40 LEU HDx% 1.0 . 4.66 211 164 A 76 LEU HDx% A 79 LYS HBy 1.0 . 4.33 212 165 A 40 LEU HDx% A 79 LYS HBx 1.0 . 5.01 213 166 A 76 LEU HA A 79 LYS HBx 1.0 . 4.24 214 167 A 76 LEU HDx% A 79 LYS HBx 1.0 . 4.42 215 168 A 80 ALA H A 79 LYS HBx 1.0 . 4.03 216 169 A 40 LEU HDy% A 79 LYS HBx 1.0 . 5.15 217 170 A 48 ALA HA A 43 LYS HBy 1.0 . 4.13 218 171 A 43 LYS HBy A 43 LYS H 1.0 . 3.97 219 172 A 38 ALA HA A 43 LYS HBy 1.0 . 5.12 220 173 A 44 THR H A 43 LYS HBx 1.0 . 4.16 221 174 A 48 ALA HA A 43 LYS HBx 1.0 . 3.86 222 175 A 47 ASP HBy A 43 LYS HBx 1.0 . 5.17 223 176 A 47 ASP HBx A 43 LYS HBx 1.0 . 4.32 224 177 A 48 ALA H A 43 LYS HBx 1.0 . 4.80 225 178 A 56 VAL HB A 57 THR H 1.0 . 4.42 226 179 A 99 GLN HGy A 99 GLN HE2y 1.0 . 3.82 227 180 A 99 GLN HGy A 96 ALA HA 1.0 . 4.68 228 181 A 99 GLN HE2y A 99 GLN HGx 1.0 . 3.76 229 182 A 99 GLN HGx A 99 GLN HA 1.0 . 3.52 230 183 A 96 ALA HA A 99 GLN HGx 1.0 . 4.97 231 184 A 24 LYS HBy A 100 ILE HD1% 1.0 . 4.74 232 185 A 24 LYS H A 24 LYS HBx 1.0 . 3.66 233 186 A 24 LYS HBx A 24 LYS HEx 1.0 . 4.62 234 186 A 24 LYS HEy A 24 LYS HBx 1.0 . 4.62 235 187 A 100 ILE HD1% A 24 LYS HBx 1.0 . 4.26 236 188 A 89 MET HBy A 90 VAL H 1.0 . 4.97 237 189 A 86 ARG HA A 89 MET HBy 1.0 . 4.44 238 190 A 89 MET HBy A 33 LEU HDy% 1.0 . 4.17 239 191 A 89 MET H A 89 MET HBx 1.0 . 3.68 240 192 A 89 MET HBx A 33 LEU HDx% 1.0 . 4.17 241 193 A 72 LEU H A 71 LYS HBy 1.0 . 3.81 242 194 A 14 LYS HBy A 15 PHE HDy 1.0 . 4.78 243 194 A 14 LYS HBy A 15 PHE HDx 1.0 . 4.78 244 195 A 14 LYS HBy A 11 HIS HA 1.0 . 4.61 245 196 A 15 PHE H A 14 LYS HBy 1.0 . 4.01 246 197 A 14 LYS H A 14 LYS HBx 1.0 . 3.50 247 198 A 11 HIS HA A 14 LYS HBx 1.0 . 4.48 248 199 A 14 LYS HBx A 101 ILE HD1% 1.0 . 5.50 249 200 A 15 PHE HBy A 14 LYS HBx 1.0 . 5.50 250 201 A 14 LYS HBx A 15 PHE HBx 1.0 . 4.62 251 202 A 88 LYS H A 90 VAL HB 1.0 . 5.31 252 203 A 14 LYS HBx A 15 PHE HDx 1.0 . 4.70 253 203 A 14 LYS HBx A 15 PHE HDy 1.0 . 4.70 254 204 A 91 GLU H A 91 GLU HBx 1.0 . 3.70 255 204 A 91 GLU H A 91 GLU HBy 1.0 . 3.70 256 205 A 63 PRO HBx A 64 GLY H 1.0 . 4.64 257 206 A 68 VAL H A 68 VAL HB 1.0 . 3.32 258 207 A 103 GLU H A 103 GLU HBy 1.0 . 3.82 259 208 A 85 ILE HA A 88 LYS HBy 1.0 . 3.97 260 209 A 54 THR H A 55 VAL HB 1.0 . 5.50 261 210 A 55 VAL HB A 56 VAL H 1.0 . 4.31 262 211 A 55 VAL HB A 55 VAL H 1.0 . 3.54 263 212 A 100 ILE HA A 103 GLU HBx 1.0 . 3.36 264 213 A 70 ARG H A 70 ARG HBx 1.0 . 4.01 265 214 A 70 ARG HBx A 67 ASP HA 1.0 . 4.04 266 215 A 7 ARG HGx A 7 ARG HBx 1.0 . 2.40 267 215 A 7 ARG HBy A 7 ARG HGx 1.0 . 2.40 268 216 A 95 THR H A 97 ARG HBx 1.0 . 4.80 269 217 A 33 LEU HDy% A 88 LYS HBy 1.0 . 4.16 270 218 A 33 LEU HDx% A 88 LYS HBy 1.0 . 4.91 271 219 A 92 LEU HDx% A 88 LYS HBy 1.0 . 5.22 272 220 A 89 MET H A 88 LYS HBy 1.0 . 4.05 273 221 A 33 LEU HDx% A 88 LYS HBx 1.0 . 5.08 274 222 A 33 LEU HDy% A 88 LYS HBx 1.0 . 4.24 275 223 A 88 LYS HBx A 92 LEU HG 1.0 . 4.96 276 224 A 48 ALA HB% A 49 ARG HBx 1.0 . 4.30 277 224 A 49 ARG HBy A 48 ALA HB% 1.0 . 4.30 278 225 A 97 ARG HBx A 94 ALA HA 1.0 . 4.50 279 226 A 53 LEU HDx% A 49 ARG HBx 1.0 . 4.97 280 226 A 49 ARG HBy A 53 LEU HDx% 1.0 . 4.97 281 227 A 56 VAL HGx% A 31 ARG HBx 1.0 . 4.26 282 227 A 31 ARG HBy A 56 VAL HGx% 1.0 . 4.26 283 228 A 100 ILE HD1% A 24 LYS HDy 1.0 . 4.68 284 229 A 24 LYS H A 24 LYS HDy 1.0 . 4.95 285 230 A 24 LYS H A 24 LYS HDx 1.0 . 4.68 286 231 A 24 LYS HDx A 100 ILE HG2% 1.0 . 4.98 287 232 A 24 LYS HDx A 100 ILE HD1% 1.0 . 4.72 288 233 A 40 LEU HDy% A 85 ILE HG1x 1.0 . 5.50 289 234 A 101 ILE HD1% A 11 HIS HBx 1.0 . 4.84 290 235 A 12 GLU H A 11 HIS HBx 1.0 . 3.92 291 236 A 11 HIS HBx A 7 ARG HA 1.0 . 3.79 292 237 A 11 HIS HBx A 12 GLU HBx 1.0 . 4.86 293 237 A 12 GLU HBy A 11 HIS HBx 1.0 . 4.86 294 238 A 12 GLU HA A 12 GLU HBx 1.0 . 2.88 295 238 A 12 GLU HA A 12 GLU HBy 1.0 . 2.88 296 239 A 31 ARG H A 31 ARG HBx 1.0 . 3.72 297 239 A 31 ARG HBy A 31 ARG H 1.0 . 3.72 298 240 A 69 PHE HD% A 86 ARG HBy 1.0 . 4.19 299 241 A 100 ILE HG2% A 24 LYS HDy 1.0 . 4.74 300 242 A 24 LYS HDx A 24 LYS HA 1.0 . 3.79 301 243 A 85 ILE HG1x A 86 ARG H 1.0 . 5.49 302 244 A 85 ILE HG1x A 85 ILE H 1.0 . 4.14 303 245 A 85 ILE HA A 85 ILE HG1x 1.0 . 3.89 304 246 A 18 ASP H A 17 HIS HBy 1.0 . 4.44 305 247 A 17 HIS HBy A 16 ALA HB% 1.0 . 5.50 306 248 A 11 HIS HBx A 7 ARG HDx 1.0 . 5.50 307 248 A 11 HIS HBx A 7 ARG HDy 1.0 . 5.50 308 249 A 17 HIS H A 17 HIS HBx 1.0 . 4.04 309 250 A 17 HIS HBx A 14 LYS HA 1.0 . 4.33 310 251 A 16 ALA HB% A 17 HIS HBx 1.0 . 5.46 311 252 A 36 TRP H A 35 GLU HBx 1.0 . 4.04 312 252 A 36 TRP H A 35 GLU HBy 1.0 . 4.04 313 253 A 85 ILE H A 85 ILE HG1y 1.0 . 3.34 314 254 A 86 ARG HBx A 86 ARG H 1.0 . 3.95 315 255 A 86 ARG HBx A 87 ALA H 1.0 . 4.34 316 256 A 85 ILE HD1% A 82 GLU HBy 1.0 . 5.50 317 257 A 82 GLU H A 82 GLU HBy 1.0 . 3.18 318 258 A 69 PHE HE% A 82 GLU HBy 1.0 . 4.81 319 259 A 99 GLN H A 98 GLU HBy 1.0 . 4.31 320 260 A 98 GLU H A 98 GLU HBy 1.0 . 3.36 321 261 A 98 GLU HA A 98 GLU HBy 1.0 . 2.99 322 262 A 82 GLU H A 82 GLU HBx 1.0 . 3.23 323 263 A 69 PHE HE% A 82 GLU HBx 1.0 . 4.48 324 264 A 98 GLU H A 98 GLU HBx 1.0 . 3.29 325 265 A 83 GLU HA A 83 GLU HBy 1.0 . 2.96 326 266 A 77 GLU HBx A 78 GLY H 1.0 . 4.41 327 267 A 26 GLU HBy A 23 PHE HBx 1.0 . 5.50 328 267 A 23 PHE HBy A 26 GLU HBy 1.0 . 5.50 329 268 A 83 GLU H A 83 GLU HBx 1.0 . 3.10 330 269 A 83 GLU HBx A 84 THR H 1.0 . 3.23 331 270 A 26 GLU HBx A 27 ALA HB% 1.0 . 4.77 332 271 A 96 ALA HB% A 29 ARG HGx 1.0 . 4.58 333 271 A 29 ARG HGy A 96 ALA HB% 1.0 . 4.58 334 272 A 28 ARG H A 29 ARG HGx 1.0 . 5.50 335 272 A 29 ARG HGy A 28 ARG H 1.0 . 5.50 336 273 A 69 PHE HE% A 86 ARG HGx 1.0 . 3.84 337 274 A 86 ARG HA A 86 ARG HGx 1.0 . 3.39 338 275 A 101 ILE HG1x A 15 PHE HDy 1.0 . 4.28 339 275 A 101 ILE HG1x A 15 PHE HDx 1.0 . 4.28 340 276 A 86 ARG H A 86 ARG HGy 1.0 . 3.94 341 277 A 69 PHE HD% A 86 ARG HGy 1.0 . 4.36 342 278 A 25 ALA HA A 100 ILE HG1y 1.0 . 3.67 343 279 A 86 ARG H A 86 ARG HGx 1.0 . 4.01 344 280 A 69 PHE HD% A 86 ARG HGx 1.0 . 4.03 345 281 A 79 LYS HA A 79 LYS HDy 1.0 . 3.88 346 282 A 79 LYS H A 79 LYS HDy 1.0 . 5.01 347 283 A 41 LEU HA A 79 LYS HDx 1.0 . 5.29 348 284 A 79 LYS H A 79 LYS HDx 1.0 . 4.94 349 285 A 76 LEU HDx% A 79 LYS HDx 1.0 . 4.91 350 286 A 79 LYS HA A 79 LYS HDx 1.0 . 4.02 351 287 A 76 LEU HA A 79 LYS HDx 1.0 . 5.32 352 288 A 70 ARG H A 70 ARG HGx 1.0 . 4.49 353 289 A 69 PHE HD% A 70 ARG HGx 1.0 . 4.41 354 290 A 70 ARG HGx A 70 ARG HA 1.0 . 3.67 355 291 A 70 ARG HGx A 71 LYS H 1.0 . 4.97 356 292 A 97 ARG H A 97 ARG HGx 1.0 . 4.16 357 293 A 99 GLN HBy A 100 ILE H 1.0 . 3.99 358 294 A 100 ILE H A 99 GLN HBx 1.0 . 4.22 359 295 A 96 ALA HA A 99 GLN HBx 1.0 . 4.53 360 296 A 57 THR HB A 58 SER H 1.0 . 4.17 361 297 A 100 ILE HD1% A 99 GLN HBy 1.0 . 5.50 362 298 A 93 ARG H A 93 ARG HGx 1.0 . 5.50 363 298 A 93 ARG H A 93 ARG HGy 1.0 . 5.50 364 299 A 57 THR HB A 56 VAL HGy% 1.0 . 4.79 365 300 A 49 ARG HA A 49 ARG HGy 1.0 . 3.68 366 301 A 49 ARG HGy A 49 ARG HBx 1.0 . 2.72 367 301 A 49 ARG HBy A 49 ARG HGy 1.0 . 2.72 368 302 A 49 ARG HGx A 46 ASP HA 1.0 . 4.73 369 303 A 36 TRP HBx A 36 TRP HE1 1.0 . 5.18 370 304 A 36 TRP HBx A 33 LEU HA 1.0 . 3.93 371 305 A 64 GLY H A 63 PRO HGy 1.0 . 5.50 372 306 A 101 ILE HA A 104 ILE HG1y 1.0 . 3.46 373 307 A 71 LYS H A 71 LYS HGx 1.0 . 4.98 374 308 A 7 ARG HGx A 7 ARG HA 1.0 . 3.17 375 309 A 49 ARG HGx A 49 ARG HA 1.0 . 3.49 376 310 A 49 ARG HGx A 48 ALA HB% 1.0 . 3.77 377 311 A 40 LEU HG A 40 LEU H 1.0 . 3.34 378 312 A 40 LEU HG A 40 LEU HA 1.0 . 3.52 379 313 A 40 LEU HG A 37 ALA HA 1.0 . 4.12 380 314 A 33 LEU HDx% A 36 TRP HBy 1.0 . 5.17 381 315 A 92 LEU HDx% A 36 TRP HBy 1.0 . 4.80 382 316 A 37 ALA HB% A 36 TRP HBx 1.0 . 5.34 383 317 A 36 TRP H A 36 TRP HBx 1.0 . 3.37 384 318 A 36 TRP HBx A 36 TRP HE3 1.0 . 4.05 385 319 A 9 ARG HGx A 9 ARG HBx 1.0 . 2.40 386 320 A 72 LEU H A 72 LEU HG 1.0 . 4.70 387 321 A 95 THR HB A 99 GLN HBx 1.0 . 4.96 388 322 A 92 LEU H A 92 LEU HG 1.0 . 3.63 389 323 A 87 ALA HA A 88 LYS HGy 1.0 . 5.50 390 324 A 72 LEU HG A 69 PHE HA 1.0 . 4.89 391 325 A 53 LEU H A 53 LEU HG 1.0 . 3.51 392 326 A 53 LEU HG A 53 LEU HA 1.0 . 3.73 393 327 A 76 LEU H A 76 LEU HG 1.0 . 3.92 394 328 A 41 LEU HDy% A 76 LEU HG 1.0 . 5.50 395 329 A 33 LEU H A 33 LEU HDy% 1.0 . 4.14 396 330 A 33 LEU HDy% A 36 TRP HE3 1.0 . 4.49 397 331 A 30 ASN HA A 33 LEU HDy% 1.0 . 3.62 398 332 A 33 LEU HDy% A 33 LEU HA 1.0 . 3.81 399 333 A 33 LEU HDy% A 89 MET HA 1.0 . 3.73 400 334 A 33 LEU HDy% A 33 LEU HBy 1.0 . 3.52 401 335 A 33 LEU HBx A 33 LEU HDy% 1.0 . 2.98 402 336 A 76 LEU HDy% A 37 ALA H 1.0 . 5.06 403 337 A 76 LEU HDy% A 76 LEU H 1.0 . 3.83 404 338 A 76 LEU HDy% A 76 LEU HA 1.0 . 4.14 405 339 A 76 LEU HDy% A 37 ALA HA 1.0 . 3.87 406 340 A 76 LEU HDy% A 75 ASP HBy 1.0 . 4.80 407 341 A 76 LEU HDy% A 75 ASP HBx 1.0 . 5.21 408 342 A 76 LEU HDy% A 76 LEU HBy 1.0 . 3.38 409 343 A 76 LEU HDy% A 37 ALA HB% 1.0 . 2.89 410 344 A 40 LEU HDy% A 76 LEU HDy% 1.0 . 3.97 411 345 A 24 LYS HGy A 25 ALA H 1.0 . 4.81 412 346 A 24 LYS HGx A 15 PHE HDy 1.0 . 4.95 413 346 A 24 LYS HGx A 15 PHE HDx 1.0 . 4.95 414 347 A 24 LYS HGy A 15 PHE HDy 1.0 . 5.27 415 347 A 24 LYS HGy A 15 PHE HDx 1.0 . 5.27 416 348 A 24 LYS HGx A 100 ILE HD1% 1.0 . 5.03 417 349 A 29 ARG H A 28 ARG HGx 1.0 . 5.50 418 349 A 28 ARG HGy A 29 ARG H 1.0 . 5.50 419 350 A 42 GLY H A 41 LEU HG 1.0 . 4.95 420 351 A 41 LEU HA A 41 LEU HG 1.0 . 3.63 421 352 A 38 ALA HA A 41 LEU HG 1.0 . 4.53 422 353 A 76 LEU HDx% A 41 LEU HG 1.0 . 3.87 423 354 A 28 ARG H A 28 ARG HGx 1.0 . 5.08 424 354 A 28 ARG H A 28 ARG HGy 1.0 . 5.08 425 355 A 43 LYS HGy A 44 THR H 1.0 . 4.83 426 356 A 43 LYS HGy A 43 LYS H 1.0 . 4.39 427 357 A 43 LYS HGy A 43 LYS HA 1.0 . 3.83 428 358 A 43 LYS HGx A 44 THR H 1.0 . 5.07 429 359 A 43 LYS HGx A 47 ASP HBx 1.0 . 4.51 430 360 A 33 LEU HDx% A 34 GLY H 1.0 . 5.10 431 361 A 30 ASN HA A 33 LEU HDx% 1.0 . 5.20 432 362 A 43 LYS HGy A 47 ASP HBx 1.0 . 4.35 433 363 A 41 LEU HA A 43 LYS HGx 1.0 . 5.47 434 364 A 32 LEU HDy% A 99 GLN HE2y 1.0 . 4.80 435 365 A 32 LEU HDy% A 95 THR HB 1.0 . 4.23 436 366 A 33 LEU H A 32 LEU HDy% 1.0 . 4.99 437 367 A 32 LEU HDy% A 99 GLN HE2x 1.0 . 4.31 438 368 A 29 ARG HA A 32 LEU HDy% 1.0 . 3.76 439 369 A 33 LEU H A 33 LEU HDx% 1.0 . 4.39 440 370 A 33 LEU HDx% A 33 LEU HA 1.0 . 3.24 441 371 A 33 LEU HDx% A 89 MET HA 1.0 . 3.33 442 372 A 89 MET HBy A 33 LEU HDx% 1.0 . 3.81 443 373 A 33 LEU HBx A 33 LEU HDx% 1.0 . 2.96 444 374 A 40 LEU HDy% A 36 TRP HE1 1.0 . 3.72 445 375 A 40 LEU HDy% A 37 ALA H 1.0 . 5.46 446 376 A 40 LEU HDy% A 41 LEU H 1.0 . 4.97 447 377 A 40 LEU HDy% A 36 TRP HH2 1.0 . 4.19 448 378 A 40 LEU HDy% A 80 ALA HA 1.0 . 4.97 449 379 A 40 LEU HDy% A 40 LEU HA 1.0 . 3.93 450 380 A 40 LEU HDy% A 37 ALA HA 1.0 . 3.47 451 381 A 84 THR HA A 84 THR HG2% 1.0 . 3.50 452 382 A 87 ALA HA A 84 THR HA 1.0 . 5.11 453 383 A 89 MET H A 33 LEU HDx% 1.0 . 4.23 454 384 A 33 LEU HDx% A 33 LEU HBy 1.0 . 3.59 455 385 A 33 LEU H A 92 LEU HDx% 1.0 . 3.99 456 386 A 92 LEU HDx% A 92 LEU H 1.0 . 4.47 457 387 A 92 LEU HDx% A 36 TRP HE3 1.0 . 4.93 458 388 A 92 LEU HDx% A 33 LEU HA 1.0 . 3.16 459 389 A 92 LEU HDx% A 89 MET HA 1.0 . 4.08 460 390 A 92 LEU HDx% A 36 TRP HBx 1.0 . 4.11 461 391 A 32 LEU HBy A 92 LEU HDx% 1.0 . 3.51 462 392 A 92 LEU HBx A 92 LEU HDx% 1.0 . 3.69 463 393 A 43 LYS HGy A 43 LYS HBx 1.0 . 2.93 464 394 A 80 ALA H A 79 LYS HGx 1.0 . 4.65 465 394 A 80 ALA H A 79 LYS HGy 1.0 . 4.65 466 395 A 76 LEU HA A 79 LYS HGx 1.0 . 4.29 467 395 A 79 LYS HGy A 76 LEU HA 1.0 . 4.29 468 396 A 79 LYS HDx A 79 LYS HGx 1.0 . 2.76 469 396 A 79 LYS HGy A 79 LYS HDx 1.0 . 2.76 470 397 A 41 LEU HDx% A 79 LYS HGx 1.0 . 4.27 471 397 A 79 LYS HGy A 41 LEU HDx% 1.0 . 4.27 472 398 A 76 LEU HDx% A 79 LYS HGx 1.0 . 4.61 473 398 A 79 LYS HGy A 76 LEU HDx% 1.0 . 4.61 474 399 A 21 LEU H A 21 LEU HDy% 1.0 . 4.34 475 400 A 21 LEU HDy% A 15 PHE HDy 1.0 . 4.13 476 400 A 21 LEU HDy% A 15 PHE HDx 1.0 . 4.13 477 401 A 21 LEU HDy% A 21 LEU HA 1.0 . 3.34 478 402 A 21 LEU HBx A 21 LEU HDy% 1.0 . 2.77 479 403 A 33 LEU HDx% A 88 LYS HA 1.0 . 4.63 480 404 A 15 PHE HBx A 21 LEU HDy% 1.0 . 4.04 481 405 A 14 LYS H A 14 LYS HGy 1.0 . 4.44 482 406 A 15 PHE H A 14 LYS HGy 1.0 . 5.28 483 407 A 14 LYS H A 14 LYS HGx 1.0 . 4.50 484 408 A 15 PHE H A 14 LYS HGx 1.0 . 5.37 485 409 A 14 LYS HGx A 15 PHE HDy 1.0 . 5.36 486 409 A 14 LYS HGx A 15 PHE HDx 1.0 . 5.36 487 410 A 94 ALA H A 95 THR HA 1.0 . 5.44 488 411 A 95 THR HA A 94 ALA HB% 1.0 . 5.12 489 412 A 98 GLU HBx A 95 THR HA 1.0 . 3.63 490 413 A 95 THR HA A 95 THR HG2% 1.0 . 3.49 491 414 A 85 ILE HA A 87 ALA H 1.0 . 4.17 492 415 A 93 ARG H A 90 VAL HA 1.0 . 4.56 493 416 A 85 ILE HA A 85 ILE HG1y 1.0 . 3.26 494 417 A 21 LEU H A 21 LEU HDx% 1.0 . 4.63 495 418 A 21 LEU HDx% A 15 PHE HA 1.0 . 4.74 496 419 A 21 LEU HBy A 21 LEU HDx% 1.0 . 2.93 497 420 A 41 LEU HDy% A 41 LEU H 1.0 . 4.08 498 421 A 41 LEU HDy% A 76 LEU HA 1.0 . 4.97 499 422 A 41 LEU HA A 41 LEU HDy% 1.0 . 4.08 500 423 A 41 LEU HDy% A 38 ALA HA 1.0 . 3.64 501 424 A 37 ALA HA A 72 LEU HDy% 1.0 . 4.83 502 425 A 76 LEU HDy% A 72 LEU HDy% 1.0 . 3.72 503 426 A 37 ALA H A 72 LEU HDy% 1.0 . 4.41 504 427 A 72 LEU H A 72 LEU HDy% 1.0 . 4.16 505 428 A 72 LEU HA A 72 LEU HDy% 1.0 . 2.92 506 429 A 75 ASP HBy A 72 LEU HDy% 1.0 . 4.34 507 430 A 72 LEU HBy A 72 LEU HDy% 1.0 . 3.07 508 431 A 75 ASP HBx A 72 LEU HDy% 1.0 . 5.01 509 432 A 40 LEU HDx% A 36 TRP HE1 1.0 . 4.05 510 433 A 41 LEU H A 40 LEU HDx% 1.0 . 4.74 511 434 A 40 LEU H A 40 LEU HDx% 1.0 . 3.70 512 435 A 40 LEU HDx% A 36 TRP HH2 1.0 . 5.50 513 436 A 79 LYS HA A 40 LEU HDx% 1.0 . 4.79 514 437 A 40 LEU HDx% A 40 LEU HA 1.0 . 2.75 515 438 A 37 ALA HA A 40 LEU HDx% 1.0 . 4.49 516 439 A 40 LEU HDx% A 79 LYS HEx 1.0 . 5.50 517 439 A 79 LYS HEy A 40 LEU HDx% 1.0 . 5.50 518 440 A 40 LEU HBy A 40 LEU HDx% 1.0 . 3.39 519 441 A 53 LEU HDx% A 53 LEU H 1.0 . 4.14 520 442 A 53 LEU HDx% A 53 LEU HBx 1.0 . 3.31 521 443 A 49 ARG HDy A 53 LEU HDx% 1.0 . 4.54 522 444 A 68 VAL HGx% A 68 VAL H 1.0 . 3.53 523 445 A 68 VAL HGx% A 71 LYS H 1.0 . 4.78 524 446 A 30 ASN HA A 55 VAL HGx% 1.0 . 4.03 525 447 A 56 VAL H A 55 VAL HGx% 1.0 . 4.15 526 448 A 55 VAL H A 55 VAL HGx% 1.0 . 4.38 527 449 A 55 VAL HGx% A 55 VAL HA 1.0 . 3.16 528 450 A 55 VAL HGx% A 30 ASN HBx 1.0 . 3.61 529 450 A 30 ASN HBy A 55 VAL HGx% 1.0 . 3.61 530 451 A 76 LEU HDx% A 37 ALA H 1.0 . 5.45 531 452 A 79 LYS H A 76 LEU HDx% 1.0 . 4.82 532 453 A 76 LEU HDx% A 76 LEU H 1.0 . 4.06 533 454 A 80 ALA H A 76 LEU HDx% 1.0 . 4.85 534 455 A 76 LEU HDx% A 41 LEU H 1.0 . 4.45 535 456 A 76 LEU HDx% A 40 LEU H 1.0 . 5.16 536 457 A 76 LEU HDx% A 77 GLU H 1.0 . 5.48 537 458 A 76 LEU HDx% A 36 TRP HH2 1.0 . 5.31 538 459 A 76 LEU HDx% A 76 LEU HA 1.0 . 2.85 539 460 A 76 LEU HDx% A 37 ALA HA 1.0 . 3.31 540 461 A 76 LEU HDx% A 75 ASP HBy 1.0 . 5.34 541 462 A 76 LEU HDx% A 75 ASP HBx 1.0 . 4.88 542 463 A 76 LEU HDx% A 76 LEU HBy 1.0 . 3.68 543 464 A 76 LEU HDx% A 37 ALA HB% 1.0 . 2.83 544 465 A 40 LEU HDy% A 76 LEU HDx% 1.0 . 3.32 545 466 A 104 ILE HG1y A 104 ILE HA 1.0 . 3.75 546 467 A 104 ILE HA A 104 ILE HG1x 1.0 . 3.37 547 468 A 91 GLU H A 90 VAL HGy% 1.0 . 3.97 548 469 A 87 ALA H A 90 VAL HGy% 1.0 . 4.95 549 470 A 90 VAL H A 90 VAL HGy% 1.0 . 2.91 550 471 A 87 ALA HA A 90 VAL HGy% 1.0 . 3.48 551 472 A 90 VAL HA A 90 VAL HGy% 1.0 . 2.85 552 473 A 54 THR H A 55 VAL HGy% 1.0 . 4.71 553 474 A 56 VAL H A 55 VAL HGy% 1.0 . 4.55 554 475 A 55 VAL H A 55 VAL HGy% 1.0 . 3.47 555 476 A 55 VAL HA A 55 VAL HGy% 1.0 . 3.19 556 477 A 41 LEU HDx% A 40 LEU H 1.0 . 5.50 557 478 A 58 SER H A 58 SER HBy 1.0 . 3.93 558 479 A 59 ASP H A 58 SER HBx 1.0 . 4.58 559 480 A 58 SER H A 58 SER HBx 1.0 . 4.18 560 481 A 95 THR HG2% A 96 ALA H 1.0 . 3.95 561 482 A 95 THR H A 95 THR HG2% 1.0 . 3.91 562 483 A 99 GLN HE2y A 95 THR HG2% 1.0 . 3.60 563 484 A 99 GLN HE2x A 95 THR HG2% 1.0 . 3.77 564 485 A 95 THR HG2% A 92 LEU HA 1.0 . 3.88 565 486 A 96 ALA HA A 95 THR HG2% 1.0 . 4.17 566 487 A 99 GLN HGy A 95 THR HG2% 1.0 . 3.86 567 488 A 99 GLN HGx A 95 THR HG2% 1.0 . 4.33 568 489 A 98 GLU HBx A 95 THR HG2% 1.0 . 4.32 569 490 A 33 LEU H A 92 LEU HDy% 1.0 . 4.95 570 491 A 92 LEU HDy% A 92 LEU H 1.0 . 3.94 571 492 A 92 LEU HDy% A 92 LEU HA 1.0 . 2.80 572 493 A 92 LEU HDy% A 95 THR HB 1.0 . 3.27 573 494 A 92 LEU HBx A 92 LEU HDy% 1.0 . 3.35 574 495 A 41 LEU H A 41 LEU HDx% 1.0 . 3.95 575 496 A 41 LEU HDx% A 76 LEU HA 1.0 . 3.57 576 497 A 41 LEU HA A 41 LEU HDx% 1.0 . 2.77 577 498 A 41 LEU HDx% A 38 ALA HA 1.0 . 5.44 578 499 A 41 LEU HDx% A 75 ASP HBx 1.0 . 4.33 579 500 A 76 LEU HDx% A 41 LEU HDx% 1.0 . 3.32 580 501 A 79 LYS H A 80 ALA HB% 1.0 . 4.40 581 502 A 85 ILE H A 80 ALA HB% 1.0 . 3.86 582 503 A 80 ALA HB% A 81 ASP H 1.0 . 3.44 583 504 A 80 ALA H A 80 ALA HB% 1.0 . 3.33 584 505 A 80 ALA HB% A 36 TRP HZ2 1.0 . 3.98 585 506 A 80 ALA HB% A 84 THR HB 1.0 . 4.39 586 507 A 85 ILE HG1y A 80 ALA HB% 1.0 . 3.56 587 508 A 85 ILE HG1x A 80 ALA HB% 1.0 . 3.78 588 509 A 40 LEU HDx% A 80 ALA HB% 1.0 . 3.36 589 510 A 76 LEU HDy% A 80 ALA HB% 1.0 . 3.35 590 511 A 40 LEU HDy% A 80 ALA HB% 1.0 . 3.60 591 512 A 92 LEU HDy% A 95 THR HG2% 1.0 . 3.68 592 513 A 64 GLY H A 63 PRO HA 1.0 . 3.40 593 514 A 101 ILE H A 102 SER HBy 1.0 . 5.00 594 515 A 102 SER HBy A 102 SER H 1.0 . 3.45 595 516 A 103 GLU H A 102 SER HBy 1.0 . 4.60 596 517 A 101 ILE HG2% A 102 SER HBx 1.0 . 5.26 597 518 A 101 ILE HA A 104 ILE HG1x 1.0 . 4.00 598 519 A 80 ALA HB% A 85 ILE HG2% 1.0 . 4.65 599 520 A 33 LEU H A 32 LEU HDx% 1.0 . 5.32 600 521 A 32 LEU H A 32 LEU HDx% 1.0 . 3.79 601 522 A 99 GLN HE2y A 32 LEU HDx% 1.0 . 4.40 602 523 A 99 GLN HE2x A 32 LEU HDx% 1.0 . 3.82 603 524 A 32 LEU HDx% A 32 LEU HA 1.0 . 2.76 604 525 A 29 ARG HA A 32 LEU HDx% 1.0 . 4.17 605 526 A 32 LEU HDx% A 28 ARG HDx 1.0 . 4.59 606 526 A 32 LEU HDx% A 28 ARG HDy 1.0 . 4.59 607 527 A 32 LEU HBx A 32 LEU HDx% 1.0 . 3.52 608 528 A 102 SER HBy A 101 ILE HG2% 1.0 . 5.31 609 529 A 104 ILE H A 101 ILE HA 1.0 . 4.15 610 530 A 101 ILE HA A 101 ILE HG1y 1.0 . 3.95 611 531 A 101 ILE HG1x A 101 ILE HA 1.0 . 3.61 612 532 A 100 ILE HG2% A 101 ILE HA 1.0 . 4.26 613 533 A 101 ILE HA A 104 ILE HD1% 1.0 . 3.17 614 534 A 57 THR H A 56 VAL HGy% 1.0 . 4.20 615 535 A 56 VAL H A 56 VAL HGy% 1.0 . 4.09 616 536 A 56 VAL HGx% A 54 THR HA 1.0 . 4.59 617 537 A 54 THR H A 54 THR HG2% 1.0 . 3.32 618 538 A 53 LEU H A 54 THR HG2% 1.0 . 5.04 619 539 A 54 THR HG2% A 51 TYR HD% 1.0 . 5.09 620 540 A 55 VAL H A 54 THR HG2% 1.0 . 4.91 621 541 A 51 TYR HBy A 54 THR HG2% 1.0 . 5.42 622 542 A 54 THR HG2% A 51 TYR HBx 1.0 . 4.95 623 543 A 56 VAL H A 57 THR HG2% 1.0 . 4.50 624 544 A 56 VAL HGy% A 30 ASN HBx 1.0 . 4.65 625 544 A 30 ASN HBy A 56 VAL HGy% 1.0 . 4.65 626 545 A 54 THR HA A 54 THR HG2% 1.0 . 3.31 627 546 A 57 THR H A 57 THR HG2% 1.0 . 3.89 628 547 A 44 THR H A 44 THR HG2% 1.0 . 3.42 629 548 A 44 THR HA A 44 THR HG2% 1.0 . 2.94 630 549 A 57 THR HG2% A 57 THR HA 1.0 . 3.72 631 550 A 94 ALA HB% A 90 VAL HGx% 1.0 . 4.02 632 551 A 93 ARG H A 90 VAL HGx% 1.0 . 5.44 633 552 A 91 GLU H A 90 VAL HGx% 1.0 . 3.74 634 553 A 90 VAL H A 90 VAL HGx% 1.0 . 3.84 635 554 A 90 VAL HA A 90 VAL HGx% 1.0 . 3.08 636 555 A 86 ARG H A 84 THR HG2% 1.0 . 5.46 637 556 A 85 ILE H A 84 THR HG2% 1.0 . 3.67 638 557 A 36 TRP HH2 A 84 THR HG2% 1.0 . 3.60 639 558 A 85 ILE HG1y A 84 THR HG2% 1.0 . 5.50 640 559 A 85 ILE HG1x A 84 THR HG2% 1.0 . 4.08 641 560 A 36 TRP HE1 A 84 THR HG2% 1.0 . 5.03 642 561 A 73 ALA H A 69 PHE HA 1.0 . 4.45 643 562 A 72 LEU HBy A 69 PHE HA 1.0 . 3.75 644 563 A 72 LEU HBx A 69 PHE HA 1.0 . 4.81 645 564 A 72 LEU H A 69 PHE HA 1.0 . 4.41 646 565 A 100 ILE HA A 100 ILE HG1y 1.0 . 3.91 647 566 A 54 THR H A 56 VAL HGx% 1.0 . 4.29 648 567 A 56 VAL H A 56 VAL HGx% 1.0 . 3.58 649 568 A 56 VAL HGx% A 53 LEU HA 1.0 . 3.51 650 569 A 56 VAL HGx% A 55 VAL HA 1.0 . 5.16 651 570 A 56 VAL HGx% A 30 ASN HBx 1.0 . 4.31 652 570 A 30 ASN HBy A 56 VAL HGx% 1.0 . 4.31 653 571 A 53 LEU HBx A 56 VAL HGx% 1.0 . 4.45 654 572 A 51 TYR HE% A 51 TYR HA 1.0 . 4.65 655 573 A 51 TYR HD% A 51 TYR HA 1.0 . 3.50 656 574 A 54 THR HG2% A 51 TYR HA 1.0 . 3.73 657 575 A 50 ALA HB% A 51 TYR HA 1.0 . 4.59 658 576 A 37 ALA HB% A 37 ALA H 1.0 . 3.04 659 577 A 37 ALA HB% A 38 ALA H 1.0 . 3.61 660 578 A 37 ALA HB% A 36 TRP HE3 1.0 . 3.94 661 579 A 37 ALA HB% A 51 TYR HD% 1.0 . 4.57 662 580 A 37 ALA HB% A 36 TRP HBy 1.0 . 4.70 663 581 A 37 ALA HB% A 72 LEU HDy% 1.0 . 3.46 664 582 A 41 LEU HDy% A 37 ALA HB% 1.0 . 4.06 665 583 A 56 VAL HGy% A 57 THR HA 1.0 . 4.85 666 584 A 56 VAL HA A 30 ASN HBx 1.0 . 4.10 667 584 A 30 ASN HBy A 56 VAL HA 1.0 . 4.10 668 585 A 56 VAL HGy% A 56 VAL HA 1.0 . 3.85 669 586 A 96 ALA HB% A 92 LEU HA 1.0 . 5.50 670 587 A 96 ALA HB% A 29 ARG H 1.0 . 3.64 671 588 A 96 ALA HB% A 96 ALA H 1.0 . 3.16 672 589 A 96 ALA HB% A 97 ARG H 1.0 . 3.54 673 590 A 29 ARG HA A 96 ALA HB% 1.0 . 3.28 674 591 A 96 ALA HB% A 28 ARG HBx 1.0 . 3.71 675 591 A 96 ALA HB% A 28 ARG HBy 1.0 . 3.71 676 592 A 32 LEU HDy% A 96 ALA HB% 1.0 . 4.07 677 593 A 86 ARG H A 85 ILE HG2% 1.0 . 3.92 678 594 A 85 ILE H A 85 ILE HG2% 1.0 . 4.51 679 595 A 72 LEU H A 85 ILE HG2% 1.0 . 5.02 680 596 A 69 PHE HE% A 85 ILE HG2% 1.0 . 3.69 681 597 A 69 PHE HA A 85 ILE HG2% 1.0 . 3.46 682 598 A 85 ILE HA A 85 ILE HG2% 1.0 . 3.20 683 599 A 89 MET HBy A 85 ILE HG2% 1.0 . 3.68 684 600 A 72 LEU HBy A 85 ILE HG2% 1.0 . 3.40 685 601 A 85 ILE HD1% A 85 ILE HG2% 1.0 . 3.22 686 602 A 23 PHE HA A 27 ALA H 1.0 . 5.29 687 603 A 100 ILE HG2% A 25 ALA H 1.0 . 4.89 688 604 A 100 ILE HG2% A 100 ILE H 1.0 . 3.86 689 605 A 100 ILE HG2% A 15 PHE HDy 1.0 . 3.70 690 605 A 100 ILE HG2% A 15 PHE HDx 1.0 . 3.70 691 606 A 100 ILE HG2% A 100 ILE HA 1.0 . 3.33 692 607 A 100 ILE HG2% A 100 ILE HG1y 1.0 . 3.53 693 608 A 100 ILE HG2% A 101 ILE HG1y 1.0 . 3.86 694 609 A 100 ILE HG2% A 25 ALA HB% 1.0 . 4.27 695 610 A 100 ILE HG2% A 100 ILE HD1% 1.0 . 3.14 696 611 A 82 GLU HA A 85 ILE H 1.0 . 3.84 697 612 A 60 PHE HA A 60 PHE HD% 1.0 . 3.69 698 613 A 82 GLU HA A 82 GLU HGx 1.0 . 3.15 699 613 A 82 GLU HA A 82 GLU HGy 1.0 . 3.15 700 614 A 82 GLU HA A 81 ASP HA 1.0 . 4.49 701 615 A 82 GLU HA A 81 ASP HBy 1.0 . 4.92 702 616 A 16 ALA HB% A 16 ALA H 1.0 . 3.07 703 617 A 86 ARG HA A 85 ILE HG2% 1.0 . 4.11 704 618 A 19 ALA H A 19 ALA HB% 1.0 . 2.96 705 619 A 36 TRP HA A 35 GLU HBx 1.0 . 4.84 706 619 A 35 GLU HBy A 36 TRP HA 1.0 . 4.84 707 620 A 93 ARG HA A 96 ALA H 1.0 . 4.73 708 621 A 93 ARG HA A 29 ARG HGx 1.0 . 4.48 709 621 A 29 ARG HGy A 93 ARG HA 1.0 . 4.48 710 622 A 100 ILE HG1y A 97 ARG HA 1.0 . 3.62 711 623 A 97 ARG HGx A 97 ARG HA 1.0 . 3.38 712 624 A 51 TYR HE% A 38 ALA HB% 1.0 . 4.31 713 625 A 38 ALA HB% A 37 ALA H 1.0 . 4.46 714 626 A 38 ALA HB% A 38 ALA H 1.0 . 3.05 715 627 A 38 ALA HB% A 39 GLY H 1.0 . 3.43 716 628 A 38 ALA HB% A 51 TYR HD% 1.0 . 3.27 717 629 A 38 ALA HB% A 43 LYS HA 1.0 . 5.44 718 630 A 38 ALA HB% A 51 TYR HBx 1.0 . 3.86 719 631 A 38 ALA HB% A 48 ALA HB% 1.0 . 3.26 720 632 A 38 ALA HB% A 41 LEU HDy% 1.0 . 4.66 721 633 A 74 ALA H A 74 ALA HB% 1.0 . 2.76 722 634 A 18 ASP HBy A 19 ALA HB% 1.0 . 4.43 723 635 A 25 ALA H A 25 ALA HB% 1.0 . 3.09 724 636 A 13 ALA HB% A 17 HIS HD2 1.0 . 3.36 725 637 A 25 ALA HB% A 22 ASN HA 1.0 . 3.49 726 638 A 100 ILE HG1y A 25 ALA HB% 1.0 . 3.70 727 639 A 13 ALA HB% A 13 ALA H 1.0 . 3.00 728 640 A 10 ALA H A 10 ALA HB% 1.0 . 3.17 729 641 A 11 HIS HBx A 10 ALA HB% 1.0 . 4.85 730 642 A 102 SER HBx A 102 SER HA 1.0 . 2.90 731 643 A 102 SER HA A 101 ILE HB 1.0 . 4.55 732 644 A 93 ARG HA A 93 ARG HGx 1.0 . 3.14 733 644 A 93 ARG HA A 93 ARG HGy 1.0 . 3.14 734 645 A 38 ALA HB% A 48 ALA HA 1.0 . 3.20 735 646 A 74 ALA HB% A 73 ALA HB% 1.0 . 4.63 736 647 A 73 ALA H A 74 ALA HB% 1.0 . 4.39 737 648 A 101 ILE HG2% A 102 SER HA 1.0 . 4.15 738 649 A 29 ARG HA A 29 ARG HGx 1.0 . 3.91 739 649 A 29 ARG HGy A 29 ARG HA 1.0 . 3.91 740 650 A 15 PHE HA A 15 PHE HDy 1.0 . 3.70 741 650 A 15 PHE HA A 15 PHE HDx 1.0 . 3.70 742 651 A 50 ALA HB% A 50 ALA H 1.0 . 2.91 743 652 A 47 ASP HA A 50 ALA HB% 1.0 . 3.28 744 653 A 44 THR HA A 48 ALA H 1.0 . 4.41 745 654 A 44 THR HA A 44 THR HB 1.0 . 2.84 746 655 A 44 THR HA A 45 GLY HAx 1.0 . 4.82 747 656 A 35 GLU HGy A 35 GLU HA 1.0 . 3.64 748 657 A 35 GLU HA A 35 GLU HBx 1.0 . 2.83 749 657 A 35 GLU HBy A 35 GLU HA 1.0 . 2.83 750 658 A 52 ALA HB% A 35 GLU HA 1.0 . 3.06 751 659 A 70 ARG HA A 73 ALA HB% 1.0 . 3.46 752 660 A 86 ARG H A 87 ALA HB% 1.0 . 4.62 753 661 A 87 ALA H A 87 ALA HB% 1.0 . 2.71 754 662 A 27 ALA HB% A 27 ALA H 1.0 . 2.85 755 663 A 24 LYS HA A 27 ALA HB% 1.0 . 3.34 756 664 A 27 ALA HB% A 30 ASN HBx 1.0 . 4.76 757 664 A 30 ASN HBy A 27 ALA HB% 1.0 . 4.76 758 665 A 27 ALA HB% A 56 VAL HGy% 1.0 . 3.53 759 666 A 34 GLY H A 31 ARG HA 1.0 . 4.69 760 667 A 56 VAL HGx% A 31 ARG HA 1.0 . 4.53 761 668 A 24 LYS HA A 24 LYS HBx 1.0 . 2.85 762 669 A 73 ALA H A 70 ARG HA 1.0 . 4.11 763 670 A 52 ALA HB% A 35 GLU H 1.0 . 3.84 764 671 A 52 ALA HB% A 52 ALA H 1.0 . 3.16 765 672 A 95 THR H A 94 ALA HB% 1.0 . 3.37 766 673 A 94 ALA H A 94 ALA HB% 1.0 . 2.91 767 674 A 52 ALA HB% A 35 GLU HGy 1.0 . 3.84 768 675 A 52 ALA HB% A 53 LEU HG 1.0 . 3.13 769 676 A 52 ALA HB% A 53 LEU HDx% 1.0 . 3.63 770 677 A 49 ARG HA A 49 ARG HBx 1.0 . 2.94 771 677 A 49 ARG HBy A 49 ARG HA 1.0 . 2.94 772 678 A 52 ALA HB% A 49 ARG HA 1.0 . 3.30 773 679 A 49 ARG HA A 52 ALA H 1.0 . 4.25 774 680 A 48 ALA H A 49 ARG HA 1.0 . 5.04 775 681 A 48 ALA HB% A 44 THR HB 1.0 . 5.48 776 682 A 101 ILE H A 101 ILE HG2% 1.0 . 3.69 777 683 A 102 SER H A 101 ILE HG2% 1.0 . 3.97 778 684 A 104 ILE H A 101 ILE HG2% 1.0 . 4.27 779 685 A 101 ILE HA A 101 ILE HG2% 1.0 . 3.22 780 686 A 101 ILE HG2% A 101 ILE HG1y 1.0 . 3.80 781 687 A 101 ILE HG1x A 101 ILE HG2% 1.0 . 3.72 782 688 A 101 ILE HD1% A 101 ILE HG2% 1.0 . 3.10 783 689 A 74 ALA HB% A 71 LYS HA 1.0 . 3.37 784 690 A 73 ALA H A 71 LYS HA 1.0 . 5.41 785 691 A 53 LEU HDx% A 49 ARG HA 1.0 . 4.21 786 692 A 53 LEU H A 49 ARG HA 1.0 . 4.61 787 693 A 26 GLU HA A 29 ARG HBx 1.0 . 3.97 788 693 A 26 GLU HA A 29 ARG HBy 1.0 . 3.97 789 694 A 26 GLU HA A 29 ARG HGx 1.0 . 3.29 790 694 A 29 ARG HGy A 26 GLU HA 1.0 . 3.29 791 695 A 48 ALA HB% A 51 TYR H 1.0 . 4.79 792 696 A 49 ARG H A 48 ALA HB% 1.0 . 3.25 793 697 A 48 ALA H A 48 ALA HB% 1.0 . 2.92 794 698 A 44 THR HA A 48 ALA HB% 1.0 . 3.19 795 699 A 48 ALA HB% A 49 ARG HA 1.0 . 3.97 796 700 A 47 ASP HBx A 48 ALA HB% 1.0 . 4.31 797 701 A 73 ALA H A 73 ALA HB% 1.0 . 2.99 798 702 A 74 ALA H A 73 ALA HB% 1.0 . 3.26 799 703 A 69 PHE HA A 73 ALA HB% 1.0 . 4.85 800 704 A 85 ILE HG2% A 73 ALA HB% 1.0 . 4.41 801 705 A 20 GLU HA A 23 PHE HBx 1.0 . 3.40 802 705 A 23 PHE HBy A 20 GLU HA 1.0 . 3.40 803 706 A 20 GLU HA A 20 GLU HBx 1.0 . 2.90 804 706 A 20 GLU HA A 20 GLU HBy 1.0 . 2.90 805 707 A 74 ALA H A 71 LYS HA 1.0 . 4.29 806 708 A 71 LYS HBy A 71 LYS HA 1.0 . 2.86 807 709 A 29 ARG H A 26 GLU HA 1.0 . 4.06 808 710 A 77 GLU HA A 77 GLU HBy 1.0 . 2.84 809 711 A 99 GLN HGy A 99 GLN HA 1.0 . 3.70 810 712 A 21 LEU HA A 23 PHE HBx 1.0 . 4.85 811 712 A 23 PHE HBy A 21 LEU HA 1.0 . 4.85 812 713 A 35 GLU H A 32 LEU HA 1.0 . 4.08 813 714 A 35 GLU HGy A 32 LEU HA 1.0 . 4.46 814 715 A 8 GLU HA A 8 GLU HGx 1.0 . 3.18 815 715 A 8 GLU HA A 8 GLU HGy 1.0 . 3.18 816 716 A 14 LYS HA A 14 LYS HGy 1.0 . 4.07 817 717 A 14 LYS HA A 14 LYS HGx 1.0 . 3.88 818 718 A 14 LYS HA A 17 HIS HD2 1.0 . 4.95 819 719 A 24 LYS HGy A 21 LEU HA 1.0 . 3.84 820 720 A 21 LEU HA A 15 PHE HDy 1.0 . 4.69 821 720 A 21 LEU HA A 15 PHE HDx 1.0 . 4.69 822 721 A 24 LYS HBy A 21 LEU HA 1.0 . 3.54 823 722 A 33 LEU HA A 36 TRP HE3 1.0 . 3.94 824 723 A 33 LEU HA A 36 TRP HBy 1.0 . 4.09 825 724 A 88 LYS HBx A 33 LEU HA 1.0 . 4.37 826 725 A 7 ARG HA A 10 ALA HB% 1.0 . 4.09 827 726 A 7 ARG HA A 8 GLU H 1.0 . 3.13 828 727 A 7 ARG HA A 7 ARG HDx 1.0 . 5.02 829 727 A 7 ARG HA A 7 ARG HDy 1.0 . 5.02 830 728 A 7 ARG HA A 7 ARG HBx 1.0 . 2.96 831 728 A 7 ARG HBy A 7 ARG HA 1.0 . 2.96 832 729 A 23 PHE H A 21 LEU HA 1.0 . 4.10 833 730 A 21 LEU HBx A 21 LEU HA 1.0 . 2.93 834 731 A 75 ASP HBy A 72 LEU HA 1.0 . 3.64 835 732 A 76 LEU HDy% A 72 LEU HA 1.0 . 4.87 836 733 A 75 ASP H A 72 LEU HA 1.0 . 4.13 837 734 A 42 GLY H A 40 LEU HA 1.0 . 4.36 838 735 A 67 ASP HA A 70 ARG HBy 1.0 . 3.83 839 736 A 46 ASP HA A 50 ALA H 1.0 . 4.73 840 737 A 49 ARG H A 46 ASP HA 1.0 . 3.60 841 738 A 48 ALA H A 46 ASP HA 1.0 . 4.43 842 739 A 49 ARG HDy A 46 ASP HA 1.0 . 4.21 843 740 A 46 ASP HBy A 46 ASP HA 1.0 . 2.96 844 741 A 46 ASP HA A 49 ARG HBx 1.0 . 3.00 845 741 A 49 ARG HBy A 46 ASP HA 1.0 . 3.00 846 742 A 49 ARG HGy A 46 ASP HA 1.0 . 4.41 847 743 A 48 ALA HB% A 46 ASP HA 1.0 . 5.45 848 744 A 11 HIS HA A 15 PHE HDy 1.0 . 3.31 849 744 A 11 HIS HA A 15 PHE HDx 1.0 . 3.31 850 745 A 10 ALA H A 9 ARG HA 1.0 . 3.15 851 746 A 9 ARG HA A 9 ARG HDx 1.0 . 4.38 852 746 A 9 ARG HDy A 9 ARG HA 1.0 . 4.38 853 747 A 9 ARG HBx A 9 ARG HA 1.0 . 2.97 854 748 A 11 HIS HA A 11 HIS HD2 1.0 . 4.22 855 749 A 11 HIS HA A 11 HIS HBx 1.0 . 2.96 856 750 A 47 ASP HA A 50 ALA H 1.0 . 4.01 857 751 A 41 LEU HDx% A 75 ASP HA 1.0 . 5.46 858 752 A 77 GLU H A 75 ASP HA 1.0 . 4.72 859 753 A 74 ALA HB% A 75 ASP HA 1.0 . 4.49 860 754 A 41 LEU HDy% A 75 ASP HA 1.0 . 5.08 861 755 A 28 ARG HA A 28 ARG HDx 1.0 . 3.47 862 755 A 28 ARG HDy A 28 ARG HA 1.0 . 3.47 863 756 A 29 ARG HA A 28 ARG HA 1.0 . 4.90 864 757 A 56 VAL H A 53 LEU HA 1.0 . 4.66 865 758 A 92 LEU HG A 88 LYS HA 1.0 . 4.64 866 759 A 90 VAL H A 88 LYS HA 1.0 . 4.82 867 760 A 103 GLU HA A 103 GLU HBy 1.0 . 2.84 868 761 A 88 LYS HA A 87 ALA HB% 1.0 . 4.70 869 762 A 92 LEU HDx% A 92 LEU HA 1.0 . 4.57 870 763 A 95 THR HB A 92 LEU HA 1.0 . 2.75 871 764 A 95 THR H A 92 LEU HA 1.0 . 3.71 872 765 A 30 ASN HA A 33 LEU HBy 1.0 . 3.50 873 766 A 30 ASN HA A 33 LEU H 1.0 . 4.06 874 767 A 104 ILE HB A 104 ILE HD1% 1.0 . 3.25 875 768 A 101 ILE HG1x A 104 ILE HD1% 1.0 . 4.07 876 769 A 101 ILE HD1% A 104 ILE HD1% 1.0 . 3.39 877 770 A 17 HIS HD2 A 17 HIS HA 1.0 . 4.65 878 771 A 79 LYS HA A 79 LYS HBy 1.0 . 2.94 879 772 A 79 LYS HA A 79 LYS HBx 1.0 . 2.97 880 773 A 79 LYS HA A 79 LYS HGx 1.0 . 3.29 881 773 A 79 LYS HGy A 79 LYS HA 1.0 . 3.29 882 774 A 85 ILE HD1% A 73 ALA H 1.0 . 3.96 883 775 A 85 ILE HD1% A 85 ILE H 1.0 . 3.70 884 776 A 80 ALA H A 85 ILE HD1% 1.0 . 5.06 885 777 A 69 PHE HE% A 85 ILE HD1% 1.0 . 4.12 886 778 A 69 PHE HD% A 85 ILE HD1% 1.0 . 4.50 887 779 A 85 ILE HD1% A 36 TRP HH2 1.0 . 4.34 888 780 A 85 ILE HD1% A 82 GLU HA 1.0 . 3.59 889 781 A 85 ILE HD1% A 73 ALA HA 1.0 . 2.93 890 782 A 85 ILE HD1% A 85 ILE HB 1.0 . 2.95 891 783 A 85 ILE HD1% A 81 ASP HA 1.0 . 4.74 892 784 A 43 LYS HGx A 43 LYS HA 1.0 . 3.63 893 785 A 55 VAL H A 52 ALA HA 1.0 . 4.98 894 786 A 43 LYS HA A 42 GLY HAx 1.0 . 4.53 895 787 A 96 ALA HA A 99 GLN HBy 1.0 . 3.53 896 788 A 32 LEU HDy% A 96 ALA HA 1.0 . 3.74 897 789 A 25 ALA HA A 28 ARG HBx 1.0 . 3.45 898 789 A 25 ALA HA A 28 ARG HBy 1.0 . 3.45 899 790 A 41 LEU H A 38 ALA HA 1.0 . 3.85 900 791 A 51 TYR HE% A 38 ALA HA 1.0 . 5.08 901 792 A 38 ALA HA A 43 LYS HGy 1.0 . 3.24 902 793 A 38 ALA HA A 43 LYS HGx 1.0 . 3.79 903 794 A 25 ALA HA A 100 ILE HG1x 1.0 . 3.55 904 795 A 25 ALA HA A 29 ARG H 1.0 . 4.42 905 796 A 30 ASN HD2y A 27 ALA HA 1.0 . 4.38 906 797 A 27 ALA HA A 30 ASN HBx 1.0 . 3.53 907 797 A 30 ASN HBy A 27 ALA HA 1.0 . 3.53 908 798 A 56 VAL HGy% A 27 ALA HA 1.0 . 4.49 909 799 A 19 ALA HA A 22 ASN HBy 1.0 . 3.61 910 800 A 90 VAL HB A 87 ALA HA 1.0 . 3.35 911 801 A 53 LEU H A 50 ALA HA 1.0 . 4.32 912 802 A 53 LEU HBy A 50 ALA HA 1.0 . 3.48 913 803 A 53 LEU HDx% A 50 ALA HA 1.0 . 3.73 914 804 A 48 ALA HA A 51 TYR H 1.0 . 4.06 915 805 A 48 ALA HA A 51 TYR HBy 1.0 . 4.11 916 806 A 48 ALA HA A 51 TYR HBx 1.0 . 3.59 917 807 A 41 LEU HA A 41 LEU HBx 1.0 . 2.94 918 808 A 76 LEU HDx% A 41 LEU HA 1.0 . 4.72 919 809 A 48 ALA HA A 51 TYR HD% 1.0 . 4.83 920 810 A 38 ALA HA A 48 ALA HA 1.0 . 4.59 921 811 A 76 LEU H A 73 ALA HA 1.0 . 4.19 922 812 A 76 LEU HBy A 73 ALA HA 1.0 . 4.25 923 813 A 76 LEU HBx A 73 ALA HA 1.0 . 5.11 924 814 A 37 ALA HA A 36 TRP HE3 1.0 . 5.11 925 815 A 41 LEU H A 37 ALA HA 1.0 . 4.61 926 816 A 40 LEU H A 37 ALA HA 1.0 . 3.84 927 817 A 37 ALA HA A 36 TRP HBy 1.0 . 4.40 928 818 A 85 ILE HG2% A 73 ALA HA 1.0 . 5.10 929 819 A 101 ILE HD1% A 101 ILE H 1.0 . 4.21 930 820 A 101 ILE HD1% A 102 SER H 1.0 . 5.05 931 821 A 101 ILE HD1% A 15 PHE HDy 1.0 . 3.86 932 821 A 101 ILE HD1% A 15 PHE HDx 1.0 . 3.86 933 822 A 101 ILE HD1% A 101 ILE HA 1.0 . 3.51 934 823 A 15 PHE HBy A 101 ILE HD1% 1.0 . 4.57 935 824 A 101 ILE HD1% A 101 ILE HB 1.0 . 3.78 936 825 A 11 HIS HA A 101 ILE HD1% 1.0 . 5.29 937 826 A 101 ILE HD1% A 15 PHE HBx 1.0 . 4.64 938 827 A 77 GLU HBy A 74 ALA HA 1.0 . 3.78 939 828 A 73 ALA HB% A 74 ALA HA 1.0 . 4.59 940 829 A 19 ALA H A 18 ASP HA 1.0 . 3.13 941 830 A 18 ASP HA A 20 GLU H 1.0 . 4.32 942 831 A 21 LEU HBy A 18 ASP HA 1.0 . 4.40 943 832 A 77 GLU HBx A 74 ALA HA 1.0 . 4.56 944 833 A 9 ARG HBx A 10 ALA HA 1.0 . 4.71 945 834 A 79 LYS H A 76 LEU HA 1.0 . 4.53 946 835 A 76 LEU HBx A 76 LEU HA 1.0 . 3.01 947 836 A 100 ILE HD1% A 101 ILE H 1.0 . 4.87 948 837 A 100 ILE HD1% A 28 ARG HDx 1.0 . 5.26 949 837 A 100 ILE HD1% A 28 ARG HDy 1.0 . 5.26 950 838 A 100 ILE HD1% A 24 LYS HEx 1.0 . 5.06 951 838 A 24 LYS HEy A 100 ILE HD1% 1.0 . 5.06 952 839 A 100 ILE HD1% A 100 ILE H 1.0 . 3.96 953 840 A 100 ILE HD1% A 28 ARG H 1.0 . 4.77 954 841 A 100 ILE HD1% A 25 ALA HA 1.0 . 3.50 955 842 A 100 ILE HA A 100 ILE HD1% 1.0 . 2.98 956 843 A 100 ILE HD1% A 28 ARG HBx 1.0 . 3.19 957 843 A 100 ILE HD1% A 28 ARG HBy 1.0 . 3.19 958 844 A 100 ILE HD1% A 25 ALA HB% 1.0 . 3.97 959 845 A 82 GLU H A 81 ASP HA 1.0 . 3.06 960 846 A 80 ALA HA A 81 ASP H 1.0 . 2.74 961 847 A 80 ALA HA A 84 THR HG2% 1.0 . 4.40 962 848 A 36 TRP HE1 A 36 TRP HA 1.0 . 5.26 963 849 A 40 LEU HG A 36 TRP HE1 1.0 . 5.23 964 850 A 46 ASP H A 45 GLY H 1.0 . 5.50 965 851 A 46 ASP H A 49 ARG HBx 1.0 . 5.50 966 851 A 49 ARG HBy A 46 ASP H 1.0 . 5.50 967 852 A 45 GLY HAy A 46 ASP H 1.0 . 3.39 968 853 A 46 ASP H A 46 ASP HBx 1.0 . 3.69 969 854 A 19 ALA H A 20 GLU H 1.0 . 3.87 970 855 A 19 ALA H A 18 ASP HBy 1.0 . 4.83 971 856 A 103 GLU H A 104 ILE H 1.0 . 3.06 972 857 A 104 ILE HB A 104 ILE H 1.0 . 3.05 973 858 A 104 ILE H A 104 ILE HG1y 1.0 . 3.37 974 859 A 104 ILE H A 104 ILE HD1% 1.0 . 4.03 975 860 A 104 ILE H A 103 GLU HBy 1.0 . 4.25 976 861 A 40 LEU H A 37 ALA H 1.0 . 5.50 977 862 A 40 LEU H A 38 ALA H 1.0 . 5.32 978 863 A 40 LEU H A 40 LEU HBy 1.0 . 3.23 979 864 A 40 LEU HDy% A 40 LEU H 1.0 . 4.59 980 865 A 40 LEU H A 36 TRP HA 1.0 . 5.50 981 866 A 77 GLU H A 73 ALA HA 1.0 . 5.24 982 867 A 36 TRP H A 37 ALA H 1.0 . 3.70 983 868 A 36 TRP H A 36 TRP HE3 1.0 . 4.97 984 869 A 36 TRP H A 36 TRP HBy 1.0 . 3.25 985 870 A 92 LEU HDx% A 36 TRP H 1.0 . 5.30 986 871 A 78 GLY H A 77 GLU H 1.0 . 4.38 987 872 A 79 LYS H A 77 GLU H 1.0 . 5.04 988 873 A 76 LEU H A 77 GLU H 1.0 . 3.19 989 874 A 80 ALA H A 77 GLU H 1.0 . 5.50 990 875 A 77 GLU H A 77 GLU HBy 1.0 . 2.89 991 876 A 77 GLU HBx A 77 GLU H 1.0 . 3.02 992 877 A 76 LEU HBx A 77 GLU H 1.0 . 4.70 993 878 A 77 GLU H A 73 ALA HB% 1.0 . 5.50 994 879 A 41 LEU HDx% A 77 GLU H 1.0 . 5.42 995 880 A 76 LEU HDy% A 77 GLU H 1.0 . 5.50 996 881 A 36 TRP H A 33 LEU HA 1.0 . 3.89 997 882 A 37 ALA HB% A 36 TRP H 1.0 . 4.66 998 883 A 33 LEU H A 34 GLY H 1.0 . 3.46 999 884 A 33 LEU H A 32 LEU H 1.0 . 3.58 1000 885 A 33 LEU H A 31 ARG H 1.0 . 4.93 1001 886 A 33 LEU H A 29 ARG HA 1.0 . 5.04 1002 887 A 33 LEU H A 33 LEU HBy 1.0 . 3.15 1003 888 A 33 LEU HBx A 33 LEU H 1.0 . 3.22 1004 889 A 92 LEU H A 91 GLU H 1.0 . 3.78 1005 890 A 36 TRP H A 35 GLU HA 1.0 . 3.50 1006 891 A 91 GLU H A 88 LYS HA 1.0 . 3.88 1007 892 A 90 VAL HB A 91 GLU H 1.0 . 2.99 1008 893 A 10 ALA H A 11 HIS H 1.0 . 3.53 1009 894 A 13 ALA H A 10 ALA H 1.0 . 3.62 1010 895 A 14 LYS H A 10 ALA H 1.0 . 4.11 1011 896 A 11 HIS HBx A 10 ALA H 1.0 . 5.14 1012 897 A 96 ALA H A 29 ARG HBx 1.0 . 5.05 1013 897 A 96 ALA H A 29 ARG HBy 1.0 . 5.05 1014 898 A 32 LEU HDy% A 96 ALA H 1.0 . 4.36 1015 899 A 95 THR H A 96 ALA H 1.0 . 3.80 1016 900 A 97 ARG H A 96 ALA H 1.0 . 3.60 1017 901 A 96 ALA H A 92 LEU HA 1.0 . 4.24 1018 902 A 95 THR HB A 96 ALA H 1.0 . 3.29 1019 903 A 52 ALA H A 51 TYR H 1.0 . 3.88 1020 904 A 53 LEU H A 52 ALA H 1.0 . 4.06 1021 905 A 51 TYR HBy A 52 ALA H 1.0 . 4.35 1022 906 A 51 TYR HBx A 52 ALA H 1.0 . 3.79 1023 907 A 52 ALA H A 34 GLY HAx 1.0 . 4.49 1024 907 A 34 GLY HAy A 52 ALA H 1.0 . 4.49 1025 908 A 37 ALA H A 38 ALA H 1.0 . 3.82 1026 909 A 36 TRP HE3 A 37 ALA H 1.0 . 3.89 1027 910 A 33 LEU HA A 37 ALA H 1.0 . 4.40 1028 911 A 37 ALA H A 34 GLY HAx 1.0 . 4.39 1029 911 A 34 GLY HAy A 37 ALA H 1.0 . 4.39 1030 912 A 36 TRP HBy A 37 ALA H 1.0 . 3.47 1031 913 A 36 TRP HBx A 37 ALA H 1.0 . 3.90 1032 914 A 51 TYR HE% A 52 ALA H 1.0 . 5.50 1033 915 A 37 ALA H A 35 GLU HBx 1.0 . 5.50 1034 915 A 35 GLU HBy A 37 ALA H 1.0 . 5.50 1035 916 A 25 ALA H A 27 ALA H 1.0 . 5.13 1036 917 A 25 ALA H A 22 ASN HA 1.0 . 4.37 1037 918 A 24 LYS HBy A 25 ALA H 1.0 . 3.76 1038 919 A 24 LYS HBx A 25 ALA H 1.0 . 3.97 1039 920 A 25 ALA H A 100 ILE HG1x 1.0 . 5.15 1040 921 A 100 ILE HD1% A 25 ALA H 1.0 . 5.11 1041 922 A 86 ARG H A 85 ILE H 1.0 . 3.73 1042 923 A 85 ILE H A 84 THR HB 1.0 . 3.76 1043 924 A 85 ILE HB A 85 ILE H 1.0 . 2.98 1044 925 A 85 ILE H A 87 ALA H 1.0 . 5.27 1045 926 A 85 ILE H A 36 TRP HZ2 1.0 . 4.78 1046 927 A 17 HIS HD2 A 13 ALA H 1.0 . 5.50 1047 928 A 93 ARG H A 92 LEU HDx% 1.0 . 5.50 1048 929 A 93 ARG H A 91 GLU H 1.0 . 4.91 1049 930 A 93 ARG H A 95 THR H 1.0 . 5.21 1050 931 A 14 LYS H A 13 ALA H 1.0 . 3.58 1051 932 A 11 HIS HA A 13 ALA H 1.0 . 5.25 1052 933 A 11 HIS HBx A 13 ALA H 1.0 . 5.50 1053 934 A 13 ALA H A 12 GLU HGx 1.0 . 4.53 1054 934 A 12 GLU HGy A 13 ALA H 1.0 . 4.53 1055 935 A 13 ALA H A 12 GLU HBx 1.0 . 3.48 1056 935 A 12 GLU HBy A 13 ALA H 1.0 . 3.48 1057 936 A 93 ARG H A 92 LEU H 1.0 . 3.47 1058 937 A 93 ARG H A 95 THR HB 1.0 . 4.63 1059 938 A 93 ARG H A 93 ARG HBx 1.0 . 3.09 1060 939 A 93 ARG H A 92 LEU HDy% 1.0 . 5.42 1061 940 A 36 TRP H A 35 GLU H 1.0 . 3.90 1062 941 A 35 GLU H A 36 TRP HA 1.0 . 5.50 1063 942 A 35 GLU H A 52 ALA HA 1.0 . 4.54 1064 943 A 35 GLU HGy A 35 GLU H 1.0 . 3.46 1065 944 A 35 GLU H A 35 GLU HBx 1.0 . 3.14 1066 944 A 35 GLU H A 35 GLU HBy 1.0 . 3.14 1067 945 A 31 ARG H A 29 ARG H 1.0 . 5.34 1068 946 A 31 ARG H A 30 ASN H 1.0 . 4.05 1069 947 A 31 ARG H A 30 ASN HBx 1.0 . 4.22 1070 947 A 30 ASN HBy A 31 ARG H 1.0 . 4.22 1071 948 A 68 VAL H A 67 ASP H 1.0 . 3.62 1072 949 A 68 VAL H A 69 PHE H 1.0 . 4.62 1073 950 A 48 ALA H A 46 ASP H 1.0 . 5.33 1074 951 A 48 ALA H A 44 THR H 1.0 . 4.09 1075 952 A 49 ARG H A 48 ALA H 1.0 . 3.02 1076 953 A 48 ALA H A 49 ARG HBx 1.0 . 4.46 1077 953 A 49 ARG HBy A 48 ALA H 1.0 . 4.46 1078 954 A 48 ALA H A 43 LYS HBy 1.0 . 4.15 1079 955 A 29 ARG H A 29 ARG HGx 1.0 . 3.54 1080 955 A 29 ARG HGy A 29 ARG H 1.0 . 3.54 1081 956 A 28 ARG H A 29 ARG H 1.0 . 3.53 1082 957 A 29 ARG H A 28 ARG HBx 1.0 . 3.49 1083 957 A 29 ARG H A 28 ARG HBy 1.0 . 3.49 1084 958 A 29 ARG H A 29 ARG HBx 1.0 . 3.34 1085 958 A 29 ARG H A 29 ARG HBy 1.0 . 3.34 1086 959 A 32 LEU HDy% A 29 ARG H 1.0 . 5.50 1087 960 A 88 LYS H A 88 LYS HBy 1.0 . 3.11 1088 961 A 88 LYS H A 86 ARG H 1.0 . 5.50 1089 962 A 88 LYS H A 85 ILE HA 1.0 . 4.05 1090 963 A 88 LYS H A 88 LYS HGy 1.0 . 4.75 1091 964 A 59 ASP H A 58 SER HBy 1.0 . 4.78 1092 965 A 59 ASP H A 57 THR HG2% 1.0 . 5.50 1093 966 A 89 MET H A 88 LYS H 1.0 . 3.41 1094 967 A 88 LYS H A 87 ALA HB% 1.0 . 3.64 1095 968 A 103 GLU H A 100 ILE HA 1.0 . 3.75 1096 969 A 103 GLU H A 103 GLU HBx 1.0 . 3.08 1097 970 A 103 GLU H A 101 ILE HG2% 1.0 . 5.22 1098 971 A 103 GLU H A 104 ILE HG1y 1.0 . 5.08 1099 972 A 4 PHE H A 4 PHE HBy 1.0 . 3.84 1100 973 A 103 GLU H A 101 ILE H 1.0 . 4.63 1101 974 A 103 GLU H A 100 ILE HD1% 1.0 . 5.50 1102 975 A 4 PHE H A 4 PHE HA 1.0 . 2.87 1103 976 A 21 LEU H A 15 PHE HDy 1.0 . 4.60 1104 977 A 15 PHE HBy A 16 ALA H 1.0 . 4.07 1105 978 A 15 PHE HBx A 16 ALA H 1.0 . 3.82 1106 979 A 21 LEU H A 18 ASP HA 1.0 . 5.50 1107 980 A 21 LEU H A 22 ASN H 1.0 . 3.42 1108 981 A 21 LEU H A 20 GLU H 1.0 . 3.41 1109 982 A 21 LEU H A 20 GLU HBx 1.0 . 3.44 1110 982 A 21 LEU H A 20 GLU HBy 1.0 . 3.44 1111 983 A 21 LEU HBy A 21 LEU H 1.0 . 2.92 1112 984 A 92 LEU H A 94 ALA H 1.0 . 4.96 1113 985 A 94 ALA H A 96 ALA H 1.0 . 4.89 1114 986 A 95 THR H A 94 ALA H 1.0 . 3.41 1115 987 A 93 ARG H A 94 ALA H 1.0 . 3.11 1116 988 A 94 ALA H A 93 ARG HBx 1.0 . 3.45 1117 989 A 94 ALA H A 90 VAL HGx% 1.0 . 5.50 1118 990 A 24 LYS HA A 27 ALA H 1.0 . 4.07 1119 991 A 27 ALA H A 29 ARG HGx 1.0 . 4.54 1120 991 A 29 ARG HGy A 27 ALA H 1.0 . 4.54 1121 992 A 29 ARG H A 27 ALA H 1.0 . 5.50 1122 993 A 65 ASP H A 65 ASP HBy 1.0 . 3.95 1123 994 A 25 ALA H A 26 GLU H 1.0 . 3.44 1124 995 A 27 ALA H A 26 GLU H 1.0 . 3.44 1125 996 A 22 ASN HA A 26 GLU H 1.0 . 5.24 1126 997 A 23 PHE HA A 26 GLU H 1.0 . 4.20 1127 998 A 26 GLU H A 23 PHE HBx 1.0 . 5.50 1128 998 A 23 PHE HBy A 26 GLU H 1.0 . 5.50 1129 999 A 25 ALA HB% A 26 GLU H 1.0 . 3.81 1130 1000 A 100 ILE HD1% A 26 GLU H 1.0 . 5.50 1131 1001 A 7 ARG H A 8 GLU HBx 1.0 . 4.62 1132 1002 A 7 ARG HGx A 7 ARG H 1.0 . 3.76 1133 1003 A 7 ARG H A 7 ARG HBx 1.0 . 2.96 1134 1003 A 7 ARG HBy A 7 ARG H 1.0 . 2.96 1135 1004 A 73 ALA H A 71 LYS H 1.0 . 5.20 1136 1005 A 70 ARG H A 71 LYS H 1.0 . 4.15 1137 1006 A 71 LYS H A 68 VAL HA 1.0 . 4.36 1138 1007 A 71 LYS HBy A 71 LYS H 1.0 . 3.08 1139 1008 A 71 LYS H A 74 ALA HB% 1.0 . 5.50 1140 1009 A 12 GLU H A 11 HIS HA 1.0 . 3.35 1141 1010 A 12 GLU H A 12 GLU HBx 1.0 . 2.92 1142 1010 A 12 GLU H A 12 GLU HBy 1.0 . 2.92 1143 1011 A 82 GLU H A 81 ASP H 1.0 . 5.02 1144 1012 A 84 THR H A 81 ASP H 1.0 . 4.01 1145 1013 A 81 ASP H A 81 ASP HBy 1.0 . 3.83 1146 1014 A 81 ASP HBx A 81 ASP H 1.0 . 3.52 1147 1015 A 84 THR HG2% A 81 ASP H 1.0 . 4.16 1148 1016 A 85 ILE HD1% A 81 ASP H 1.0 . 5.50 1149 1017 A 86 ARG H A 87 ALA H 1.0 . 3.37 1150 1018 A 90 VAL H A 87 ALA H 1.0 . 5.33 1151 1019 A 87 ALA H A 84 THR HA 1.0 . 3.51 1152 1020 A 86 ARG HDy A 87 ALA H 1.0 . 5.49 1153 1021 A 89 MET HBx A 87 ALA H 1.0 . 4.98 1154 1022 A 85 ILE HB A 87 ALA H 1.0 . 4.37 1155 1023 A 86 ARG HBy A 87 ALA H 1.0 . 3.48 1156 1024 A 18 ASP H A 16 ALA HA 1.0 . 5.50 1157 1025 A 18 ASP H A 18 ASP HBy 1.0 . 4.16 1158 1026 A 18 ASP H A 19 ALA H 1.0 . 4.96 1159 1027 A 18 ASP H A 17 HIS HBx 1.0 . 4.86 1160 1028 A 18 ASP H A 16 ALA HB% 1.0 . 5.50 1161 1029 A 46 ASP H A 47 ASP H 1.0 . 3.50 1162 1030 A 49 ARG H A 47 ASP H 1.0 . 4.28 1163 1031 A 48 ALA H A 47 ASP H 1.0 . 3.03 1164 1032 A 47 ASP H A 45 GLY HAx 1.0 . 4.46 1165 1033 A 47 ASP HBy A 47 ASP H 1.0 . 2.92 1166 1034 A 47 ASP HBx A 47 ASP H 1.0 . 3.42 1167 1035 A 48 ALA HB% A 47 ASP H 1.0 . 4.58 1168 1036 A 9 ARG H A 8 GLU HBy 1.0 . 4.43 1169 1037 A 9 ARG H A 9 ARG HGy 1.0 . 3.47 1170 1038 A 24 LYS HGx A 23 PHE H 1.0 . 5.32 1171 1039 A 8 GLU H A 8 GLU HBy 1.0 . 3.73 1172 1040 A 80 ALA H A 81 ASP H 1.0 . 3.97 1173 1041 A 80 ALA H A 77 GLU HA 1.0 . 4.72 1174 1042 A 73 ALA H A 72 LEU H 1.0 . 3.64 1175 1043 A 72 LEU HBy A 73 ALA H 1.0 . 3.52 1176 1044 A 23 PHE H A 20 GLU HA 1.0 . 3.97 1177 1045 A 8 GLU H A 8 GLU HBx 1.0 . 3.01 1178 1046 A 48 ALA H A 50 ALA H 1.0 . 5.25 1179 1047 A 80 ALA H A 78 GLY H 1.0 . 4.10 1180 1048 A 80 ALA H A 79 LYS H 1.0 . 2.72 1181 1049 A 80 ALA H A 78 GLY HAx 1.0 . 5.50 1182 1050 A 80 ALA H A 76 LEU HBy 1.0 . 4.14 1183 1051 A 80 ALA H A 76 LEU HBx 1.0 . 3.12 1184 1052 A 80 ALA H A 76 LEU HDy% 1.0 . 4.61 1185 1053 A 40 LEU HDy% A 80 ALA H 1.0 . 5.50 1186 1054 A 50 ALA H A 49 ARG HBx 1.0 . 3.37 1187 1054 A 49 ARG HBy A 50 ALA H 1.0 . 3.37 1188 1055 A 49 ARG H A 50 ALA H 1.0 . 3.34 1189 1056 A 92 LEU H A 90 VAL H 1.0 . 5.20 1190 1057 A 90 VAL H A 87 ALA HB% 1.0 . 5.50 1191 1058 A 90 VAL H A 91 GLU H 1.0 . 3.04 1192 1059 A 90 VAL H A 87 ALA HA 1.0 . 4.05 1193 1060 A 90 VAL H A 90 VAL HB 1.0 . 3.02 1194 1061 A 24 LYS H A 23 PHE HBx 1.0 . 3.45 1195 1061 A 24 LYS H A 23 PHE HBy 1.0 . 3.45 1196 1062 A 101 ILE H A 101 ILE HG1y 1.0 . 3.34 1197 1063 A 24 LYS H A 25 ALA H 1.0 . 3.74 1198 1064 A 24 LYS H A 24 LYS HBy 1.0 . 3.35 1199 1065 A 24 LYS H A 24 LYS HGy 1.0 . 3.35 1200 1066 A 24 LYS H A 24 LYS HGx 1.0 . 4.02 1201 1067 A 104 ILE H A 101 ILE H 1.0 . 5.03 1202 1068 A 100 ILE HB A 101 ILE H 1.0 . 3.47 1203 1069 A 101 ILE H A 101 ILE HB 1.0 . 2.98 1204 1070 A 101 ILE HG1x A 101 ILE H 1.0 . 3.57 1205 1071 A 100 ILE HG2% A 101 ILE H 1.0 . 4.35 1206 1072 A 28 ARG H A 25 ALA HA 1.0 . 3.84 1207 1073 A 29 ARG HA A 28 ARG H 1.0 . 5.50 1208 1074 A 28 ARG H A 28 ARG HBx 1.0 . 3.02 1209 1074 A 28 ARG H A 28 ARG HBy 1.0 . 3.02 1210 1075 A 27 ALA HB% A 28 ARG H 1.0 . 3.68 1211 1076 A 79 LYS H A 78 GLY H 1.0 . 3.40 1212 1077 A 79 LYS H A 77 GLU HA 1.0 . 4.39 1213 1078 A 79 LYS H A 79 LYS HBx 1.0 . 3.18 1214 1079 A 79 LYS H A 79 LYS HGx 1.0 . 3.61 1215 1079 A 79 LYS HGy A 79 LYS H 1.0 . 3.61 1216 1080 A 56 VAL H A 58 SER H 1.0 . 4.82 1217 1081 A 69 PHE H A 68 VAL HB 1.0 . 3.90 1218 1082 A 73 ALA H A 75 ASP H 1.0 . 5.50 1219 1083 A 75 ASP H A 77 GLU H 1.0 . 5.50 1220 1084 A 75 ASP HBy A 75 ASP H 1.0 . 3.63 1221 1085 A 75 ASP H A 74 ALA HB% 1.0 . 3.79 1222 1086 A 79 LYS H A 80 ALA HA 1.0 . 5.50 1223 1087 A 33 LEU H A 30 ASN H 1.0 . 5.50 1224 1088 A 29 ARG H A 30 ASN H 1.0 . 3.95 1225 1089 A 30 ASN H A 30 ASN HBx 1.0 . 3.42 1226 1089 A 30 ASN HBy A 30 ASN H 1.0 . 3.42 1227 1090 A 30 ASN H A 29 ARG HGx 1.0 . 3.69 1228 1090 A 29 ARG HGy A 30 ASN H 1.0 . 3.69 1229 1091 A 69 PHE HE% A 82 GLU H 1.0 . 5.50 1230 1092 A 82 GLU H A 81 ASP HBy 1.0 . 3.14 1231 1093 A 85 ILE HD1% A 82 GLU H 1.0 . 5.50 1232 1094 A 20 GLU H A 20 GLU HBx 1.0 . 2.90 1233 1094 A 20 GLU HBy A 20 GLU H 1.0 . 2.90 1234 1095 A 19 ALA HB% A 20 GLU H 1.0 . 3.69 1235 1096 A 67 ASP H A 68 VAL HB 1.0 . 4.22 1236 1097 A 49 ARG H A 46 ASP H 1.0 . 5.50 1237 1098 A 49 ARG H A 49 ARG HBx 1.0 . 2.77 1238 1098 A 49 ARG H A 49 ARG HBy 1.0 . 2.77 1239 1099 A 49 ARG H A 49 ARG HGy 1.0 . 3.66 1240 1100 A 49 ARG H A 49 ARG HGx 1.0 . 3.85 1241 1101 A 32 LEU H A 31 ARG H 1.0 . 3.91 1242 1102 A 32 LEU H A 29 ARG HA 1.0 . 4.55 1243 1103 A 32 LEU H A 31 ARG HBx 1.0 . 3.11 1244 1103 A 32 LEU H A 31 ARG HBy 1.0 . 3.11 1245 1104 A 32 LEU H A 92 LEU HDx% 1.0 . 5.50 1246 1105 A 58 SER H A 57 THR HG2% 1.0 . 5.50 1247 1106 A 15 PHE H A 14 LYS H 1.0 . 3.31 1248 1107 A 41 LEU H A 43 LYS H 1.0 . 4.45 1249 1108 A 14 LYS H A 13 ALA HB% 1.0 . 3.20 1250 1109 A 43 LYS H A 43 LYS HBx 1.0 . 3.52 1251 1110 A 43 LYS HGx A 43 LYS H 1.0 . 3.57 1252 1111 A 14 LYS H A 101 ILE HD1% 1.0 . 5.50 1253 1112 A 81 ASP HBx A 84 THR H 1.0 . 5.50 1254 1113 A 100 ILE H A 97 ARG HA 1.0 . 4.06 1255 1114 A 99 GLN HGy A 100 ILE H 1.0 . 5.27 1256 1115 A 100 ILE HB A 100 ILE H 1.0 . 2.95 1257 1116 A 100 ILE HG1y A 100 ILE H 1.0 . 3.46 1258 1117 A 100 ILE H A 100 ILE HG1x 1.0 . 3.99 1259 1118 A 14 LYS H A 9 ARG HA 1.0 . 3.96 1260 1119 A 14 LYS HBy A 14 LYS H 1.0 . 3.21 1261 1120 A 86 ARG H A 84 THR H 1.0 . 5.46 1262 1121 A 83 GLU H A 84 THR H 1.0 . 3.23 1263 1122 A 84 THR H A 81 ASP HBy 1.0 . 5.26 1264 1123 A 84 THR H A 83 GLU HGx 1.0 . 4.37 1265 1123 A 83 GLU HGy A 84 THR H 1.0 . 4.37 1266 1124 A 84 THR H A 84 THR HG2% 1.0 . 4.21 1267 1125 A 84 THR H A 80 ALA HB% 1.0 . 5.30 1268 1126 A 99 GLN H A 96 ALA HA 1.0 . 4.11 1269 1127 A 99 GLN H A 99 GLN HGy 1.0 . 3.49 1270 1128 A 99 GLN H A 99 GLN HGx 1.0 . 3.85 1271 1129 A 99 GLN H A 99 GLN HBy 1.0 . 3.47 1272 1130 A 99 GLN H A 99 GLN HBx 1.0 . 3.85 1273 1131 A 99 GLN H A 95 THR HG2% 1.0 . 5.50 1274 1132 A 86 ARG HDy A 86 ARG H 1.0 . 5.05 1275 1133 A 85 ILE HB A 86 ARG H 1.0 . 3.52 1276 1134 A 86 ARG HBy A 86 ARG H 1.0 . 3.39 1277 1135 A 85 ILE HD1% A 86 ARG H 1.0 . 5.50 1278 1136 A 75 ASP HBy A 74 ALA H 1.0 . 5.15 1279 1137 A 72 LEU HBy A 74 ALA H 1.0 . 5.24 1280 1138 A 86 ARG H A 83 GLU H 1.0 . 5.21 1281 1139 A 83 GLU H A 81 ASP HA 1.0 . 5.14 1282 1140 A 83 GLU H A 81 ASP HBy 1.0 . 4.15 1283 1141 A 81 ASP HBx A 83 GLU H 1.0 . 4.96 1284 1142 A 82 GLU HBy A 83 GLU H 1.0 . 3.20 1285 1143 A 83 GLU HBy A 83 GLU H 1.0 . 2.90 1286 1144 A 72 LEU H A 71 LYS H 1.0 . 4.12 1287 1145 A 72 LEU H A 68 VAL HA 1.0 . 5.50 1288 1146 A 72 LEU HBy A 72 LEU H 1.0 . 3.13 1289 1147 A 50 ALA HB% A 51 TYR H 1.0 . 3.96 1290 1148 A 73 ALA H A 74 ALA H 1.0 . 3.29 1291 1149 A 75 ASP H A 74 ALA H 1.0 . 3.31 1292 1150 A 71 LYS H A 74 ALA H 1.0 . 4.73 1293 1151 A 72 LEU HA A 74 ALA H 1.0 . 5.08 1294 1152 A 51 TYR HBx A 38 ALA H 1.0 . 5.50 1295 1153 A 38 ALA H A 36 TRP HA 1.0 . 5.50 1296 1154 A 38 ALA H A 35 GLU HA 1.0 . 3.97 1297 1155 A 41 LEU HDy% A 38 ALA H 1.0 . 5.50 1298 1156 A 50 ALA H A 51 TYR H 1.0 . 3.86 1299 1157 A 49 ARG H A 51 TYR H 1.0 . 5.50 1300 1158 A 47 ASP HA A 51 TYR H 1.0 . 5.27 1301 1159 A 51 TYR HBy A 51 TYR H 1.0 . 3.60 1302 1160 A 51 TYR HBx A 51 TYR H 1.0 . 3.50 1303 1161 A 54 THR H A 56 VAL H 1.0 . 4.33 1304 1162 A 56 VAL H A 55 VAL H 1.0 . 4.10 1305 1163 A 56 VAL HB A 56 VAL H 1.0 . 3.71 1306 1164 A 90 VAL H A 89 MET H 1.0 . 3.56 1307 1165 A 86 ARG HA A 89 MET H 1.0 . 4.28 1308 1166 A 89 MET HBy A 89 MET H 1.0 . 3.35 1309 1167 A 89 MET H A 87 ALA HB% 1.0 . 5.50 1310 1168 A 89 MET H A 88 LYS HBx 1.0 . 3.70 1311 1169 A 33 LEU HDy% A 89 MET H 1.0 . 4.80 1312 1170 A 77 GLU HA A 78 GLY H 1.0 . 2.73 1313 1171 A 77 GLU HGy A 78 GLY H 1.0 . 4.19 1314 1172 A 98 GLU H A 95 THR HG2% 1.0 . 5.50 1315 1173 A 99 GLN H A 98 GLU H 1.0 . 3.29 1316 1174 A 98 GLU H A 97 ARG HBx 1.0 . 3.60 1317 1175 A 98 GLU H A 96 ALA H 1.0 . 4.93 1318 1176 A 98 GLU H A 97 ARG H 1.0 . 3.37 1319 1177 A 11 HIS HBx A 11 HIS H 1.0 . 3.30 1320 1178 A 10 ALA HB% A 11 HIS H 1.0 . 4.08 1321 1179 A 15 PHE H A 15 PHE HBx 1.0 . 3.39 1322 1180 A 15 PHE H A 14 LYS HBx 1.0 . 3.89 1323 1181 A 15 PHE H A 16 ALA H 1.0 . 3.32 1324 1182 A 69 PHE HD% A 70 ARG H 1.0 . 4.78 1325 1183 A 70 ARG H A 67 ASP HA 1.0 . 5.39 1326 1184 A 69 PHE HBy A 70 ARG H 1.0 . 4.58 1327 1185 A 15 PHE HDy A 22 ASN H 1.0 . 4.99 1328 1186 A 21 LEU HBy A 22 ASN H 1.0 . 3.52 1329 1187 A 21 LEU HDy% A 22 ASN H 1.0 . 5.50 1330 1188 A 21 LEU HDx% A 22 ASN H 1.0 . 5.50 1331 1189 A 94 ALA HA A 97 ARG H 1.0 . 4.48 1332 1190 A 98 GLU HA A 97 ARG H 1.0 . 5.48 1333 1191 A 97 ARG HBx A 97 ARG H 1.0 . 3.31 1334 1192 A 41 LEU H A 38 ALA H 1.0 . 5.50 1335 1193 A 41 LEU H A 40 LEU H 1.0 . 3.27 1336 1194 A 41 LEU H A 42 GLY HAx 1.0 . 5.04 1337 1195 A 43 LYS HEx A 41 LEU H 1.0 . 5.50 1338 1196 A 41 LEU HBx A 41 LEU H 1.0 . 2.89 1339 1197 A 40 LEU HG A 41 LEU H 1.0 . 4.60 1340 1198 A 41 LEU H A 40 LEU HBx 1.0 . 4.08 1341 1199 A 92 LEU HDy% A 95 THR H 1.0 . 5.33 1342 1200 A 95 THR HB A 95 THR H 1.0 . 3.45 1343 1201 A 53 LEU HBy A 53 LEU H 1.0 . 3.25 1344 1202 A 52 ALA HB% A 53 LEU H 1.0 . 3.96 1345 1203 A 53 LEU H A 51 TYR HBx 1.0 . 5.50 1346 1204 A 54 THR H A 53 LEU H 1.0 . 3.86 1347 1205 A 101 ILE H A 102 SER H 1.0 . 3.20 1348 1206 A 103 GLU H A 102 SER H 1.0 . 3.17 1349 1207 A 104 ILE H A 102 SER H 1.0 . 4.85 1350 1208 A 102 SER H A 102 SER HBx 1.0 . 2.92 1351 1209 A 100 ILE HB A 102 SER H 1.0 . 4.67 1352 1210 A 102 SER H A 101 ILE HB 1.0 . 3.34 1353 1211 A 102 SER H A 101 ILE HG1y 1.0 . 4.89 1354 1212 A 101 ILE HG1x A 102 SER H 1.0 . 5.12 1355 1213 A 16 ALA HB% A 17 HIS H 1.0 . 4.75 1356 1214 A 57 THR H A 58 SER H 1.0 . 5.23 1357 1215 A 57 THR H A 56 VAL H 1.0 . 4.64 1358 1216 A 57 THR H A 58 SER HBx 1.0 . 5.50 1359 1217 A 76 LEU H A 74 ALA H 1.0 . 4.71 1360 1218 A 76 LEU H A 72 LEU HA 1.0 . 4.35 1361 1219 A 76 LEU H A 75 ASP HBy 1.0 . 3.73 1362 1220 A 76 LEU H A 77 GLU HBy 1.0 . 5.22 1363 1221 A 76 LEU HBy A 76 LEU H 1.0 . 3.23 1364 1222 A 41 LEU HDx% A 76 LEU H 1.0 . 4.69 1365 1223 A 22 ASN HD2y A 22 ASN H 1.0 . 4.64 1366 1224 A 22 ASN HD2y A 19 ALA HA 1.0 . 4.63 1367 1225 A 22 ASN HD2y A 18 ASP HBy 1.0 . 3.63 1368 1226 A 22 ASN H A 22 ASN HD2x 1.0 . 5.24 1369 1227 A 22 ASN HA A 22 ASN HD2x 1.0 . 5.50 1370 1228 A 19 ALA HA A 22 ASN HD2x 1.0 . 5.29 1371 1229 A 18 ASP HBy A 22 ASN HD2x 1.0 . 4.19 1372 1230 A 22 ASN HD2y A 22 ASN HA 1.0 . 5.50 1373 1231 A 22 ASN HD2y A 19 ALA HB% 1.0 . 5.50 1374 1232 A 92 LEU H A 88 LYS HA 1.0 . 4.63 1375 1233 A 92 LEU H A 90 VAL HA 1.0 . 4.79 1376 1234 A 92 LEU H A 93 ARG HBx 1.0 . 3.65 1377 1235 A 92 LEU HBy A 92 LEU H 1.0 . 3.61 1378 1236 A 44 THR H A 47 ASP H 1.0 . 5.28 1379 1237 A 44 THR H A 43 LYS H 1.0 . 4.64 1380 1238 A 44 THR H A 43 LYS HA 1.0 . 2.60 1381 1239 A 44 THR H A 44 THR HB 1.0 . 4.13 1382 1240 A 48 ALA HA A 44 THR H 1.0 . 4.89 1383 1241 A 47 ASP HBy A 44 THR H 1.0 . 3.77 1384 1242 A 43 LYS HBy A 44 THR H 1.0 . 3.61 1385 1243 A 48 ALA HB% A 44 THR H 1.0 . 3.63 1386 1244 A 27 ALA HA A 30 ASN HD2x 1.0 . 5.50 1387 1245 A 56 VAL HGy% A 30 ASN HD2x 1.0 . 5.38 1388 1246 A 30 ASN HD2y A 56 VAL HGy% 1.0 . 5.41 1389 1247 A 54 THR H A 55 VAL H 1.0 . 3.72 1390 1248 A 54 THR H A 52 ALA HA 1.0 . 4.93 1391 1249 A 54 THR H A 53 LEU HBx 1.0 . 4.73 1392 1250 A 48 ALA H A 45 GLY H 1.0 . 5.24 1393 1251 A 44 THR HA A 45 GLY H 1.0 . 3.00 1394 1252 A 46 ASP HA A 45 GLY H 1.0 . 5.36 1395 1253 A 44 THR HB A 45 GLY H 1.0 . 3.00 1396 1254 A 42 GLY H A 43 LYS H 1.0 . 3.19 1397 1255 A 41 LEU H A 42 GLY H 1.0 . 3.27 1398 1256 A 40 LEU H A 42 GLY H 1.0 . 4.80 1399 1257 A 42 GLY H A 43 LYS HA 1.0 . 5.29 1400 1258 A 41 LEU HA A 42 GLY H 1.0 . 3.57 1401 1259 A 42 GLY H A 41 LEU HBy 1.0 . 4.24 1402 1260 A 42 GLY H A 43 LYS HGx 1.0 . 5.04 1403 1261 A 41 LEU HDx% A 42 GLY H 1.0 . 5.38 1404 1262 A 41 LEU HDy% A 42 GLY H 1.0 . 5.50 1405 1263 A 99 GLN H A 99 GLN HE2y 1.0 . 5.39 1406 1264 A 99 GLN HE2y A 99 GLN HA 1.0 . 5.50 1407 1265 A 99 GLN HE2y A 99 GLN HBy 1.0 . 5.35 1408 1266 A 99 GLN HE2y A 99 GLN HBx 1.0 . 5.50 1409 1267 A 31 ARG H A 34 GLY H 1.0 . 5.50 1410 1268 A 51 TYR HE% A 34 GLY H 1.0 . 5.50 1411 1269 A 35 GLU HGy A 34 GLY H 1.0 . 5.50 1412 1270 A 33 LEU HBy A 34 GLY H 1.0 . 3.59 1413 1271 A 33 LEU HBx A 34 GLY H 1.0 . 3.76 1414 1272 A 52 ALA HB% A 34 GLY H 1.0 . 4.53 1415 1273 A 37 ALA H A 39 GLY H 1.0 . 4.99 1416 1274 A 38 ALA H A 39 GLY H 1.0 . 3.62 1417 1275 A 40 LEU H A 39 GLY H 1.0 . 3.52 1418 1276 A 36 TRP HA A 39 GLY H 1.0 . 4.38 1419 1277 A 39 GLY HAy A 39 GLY H 1.0 . 2.93 1420 1278 A 41 LEU HDy% A 39 GLY H 1.0 . 5.50 1421 1279 A 69 PHE HD% A 86 ARG H 1.0 . 4.71 1422 1280 A 69 PHE HD% A 69 PHE HA 1.0 . 3.21 1423 1281 A 69 PHE HD% A 70 ARG HA 1.0 . 3.84 1424 1282 A 69 PHE HD% A 85 ILE HB 1.0 . 3.35 1425 1283 A 69 PHE HD% A 85 ILE HG2% 1.0 . 3.02 1426 1284 A 69 PHE HD% A 73 ALA HB% 1.0 . 4.66 1427 1285 A 51 TYR HD% A 51 TYR H 1.0 . 4.10 1428 1286 A 41 LEU HDy% A 51 TYR HD% 1.0 . 3.90 1429 1287 A 51 TYR HD% A 38 ALA H 1.0 . 3.76 1430 1288 A 51 TYR HD% A 52 ALA H 1.0 . 3.77 1431 1289 A 51 TYR HD% A 52 ALA HA 1.0 . 3.39 1432 1290 A 38 ALA HA A 51 TYR HD% 1.0 . 3.88 1433 1291 A 15 PHE HA A 15 PHE HDy 1.0 . 3.72 1434 1292 A 15 PHE HBy A 15 PHE HDy 1.0 . 2.99 1435 1293 A 23 PHE HDx A 23 PHE HBx 1.0 . 3.73 1436 1293 A 23 PHE HBy A 23 PHE HDx 1.0 . 3.73 1437 1294 A 24 LYS H A 23 PHE HDx 1.0 . 5.22 1438 1295 A 21 LEU HBx A 15 PHE HDy 1.0 . 3.31 1439 1296 A 15 PHE HBx A 15 PHE HDx 1.0 . 3.44 1440 1297 A 11 HIS HA A 15 PHE HDx 1.0 . 3.45 1441 1298 A 101 ILE HD1% A 15 PHE HDx 1.0 . 4.73 1442 1299 A 100 ILE HG2% A 15 PHE HDx 1.0 . 4.86 1443 1300 A 69 PHE HE% A 82 GLU HA 1.0 . 3.31 1444 1301 A 69 PHE HE% A 85 ILE HB 1.0 . 3.34 1445 1302 A 69 PHE HE% A 85 ILE H 1.0 . 4.87 1446 1303 A 69 PHE HE% A 86 ARG H 1.0 . 4.20 1447 1304 A 69 PHE HE% A 86 ARG HGy 1.0 . 3.63 1448 1305 A 69 PHE HE% A 70 ARG HA 1.0 . 5.13 1449 1306 A 36 TRP HA A 36 TRP HD1 1.0 . 3.19 1450 1307 A 36 TRP HBx A 36 TRP HD1 1.0 . 3.38 1451 1308 A 40 LEU HDy% A 36 TRP HD1 1.0 . 4.19 1452 1309 A 40 LEU HG A 36 TRP HD1 1.0 . 5.38 1453 1310 A 40 LEU HDx% A 36 TRP HD1 1.0 . 4.37 1454 1311 A 85 ILE HA A 36 TRP HH2 1.0 . 3.25 1455 1312 A 85 ILE HG1y A 36 TRP HH2 1.0 . 3.58 1456 1313 A 36 TRP HH2 A 80 ALA HB% 1.0 . 3.42 1457 1314 A 85 ILE HG1x A 36 TRP HH2 1.0 . 3.40 1458 1315 A 85 ILE H A 36 TRP HH2 1.0 . 4.87 1459 1316 A 72 LEU HDy% A 36 TRP HZ3 1.0 . 3.60 1460 1317 A 76 LEU HDy% A 36 TRP HZ3 1.0 . 3.98 1461 1318 A 36 TRP HBy A 36 TRP HE3 1.0 . 3.59 1462 1319 A 36 TRP HE3 A 72 LEU HDy% 1.0 . 3.62 1463 1320 A 33 LEU HDx% A 36 TRP HE3 1.0 . 4.03 1464 1321 A 76 LEU HDy% A 36 TRP HE3 1.0 . 4.09 1465 1322 A 17 HIS HD2 A 13 ALA HA 1.0 . 5.37 1466 1323 A 16 ALA HB% A 17 HIS HD2 1.0 . 3.90 1467 1324 A 85 ILE HA A 36 TRP HZ3 1.0 . 3.89 1468 1325 A 85 ILE HG1y A 36 TRP HZ3 1.0 . 5.00 1469 1326 A 37 ALA HB% A 36 TRP HZ3 1.0 . 4.42 1470 1327 A 33 LEU HDx% A 36 TRP HZ3 1.0 . 4.70 1471 1328 A 7 ARG HA A 11 HIS HD2 1.0 . 4.61 1472 1329 A 11 HIS HBx A 11 HIS HD2 1.0 . 3.57 1473 1330 A 10 ALA HB% A 11 HIS HD2 1.0 . 4.08 1474 1331 A 51 TYR HE% A 37 ALA H 1.0 . 4.72 1475 1332 A 51 TYR HE% A 37 ALA HB% 1.0 . 2.64 1476 1333 A 51 TYR HE% A 41 LEU HDx% 1.0 . 3.31 1477 1334 A 51 TYR HE% A 41 LEU HDy% 1.0 . 3.42 1478 1335 A 51 TYR HE% A 38 ALA H 1.0 . 3.92 1479 1336 A 51 TYR HE% A 52 ALA HA 1.0 . 4.61 1480 1337 A 51 TYR HE% A 41 LEU HG 1.0 . 4.75 1481 1338 A 85 ILE HA A 36 TRP HZ2 1.0 . 4.43 1482 1339 A 84 THR HG2% A 36 TRP HZ2 1.0 . 3.09 1483 1340 A 40 LEU HDx% A 36 TRP HZ2 1.0 . 4.32 1484 1341 A 40 LEU HDy% A 36 TRP HZ2 1.0 . 3.24 stop_ save_