data_nef_c19510_2mdz 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 . A 4 PHE HA H 1 4.680 . A 4 PHE HBy H 1 3.277 . A 4 PHE HBx H 1 3.179 . A 4 PHE CA C 13 57.087 . A 4 PHE CB C 13 38.126 . A 4 PHE N N 15 122.548 . A 7 ARG H H 1 8.339 . A 7 ARG HA H 1 4.265 . A 7 ARG HBx H 1 1.990 . A 7 ARG HBy H 1 1.990 . A 7 ARG HGx H 1 1.806 . A 7 ARG C C 13 176.683 . A 7 ARG CA C 13 56.502 . A 7 ARG CB C 13 28.840 . A 7 ARG CD C 13 41.199 . A 7 ARG CG C 13 26.017 . A 7 ARG N N 15 121.962 . A 8 GLU H H 1 8.384 . A 8 GLU HA H 1 4.233 . A 8 GLU HBx H 1 2.162 . A 8 GLU HBy H 1 2.377 . A 8 GLU HGx H 1 2.451 . A 8 GLU HGy H 1 2.451 . A 8 GLU C C 13 176.964 . A 8 GLU CA C 13 57.517 . A 8 GLU CB C 13 27.744 . A 8 GLU CG C 13 34.554 . A 8 GLU N N 15 121.095 . A 9 ARG H H 1 8.291 . A 9 ARG HA H 1 4.310 . A 9 ARG HBx H 1 1.992 . A 9 ARG HDx H 1 3.321 . A 9 ARG HDy H 1 3.321 . A 9 ARG HGx H 1 1.768 . A 9 ARG HGy H 1 1.806 . A 9 ARG C C 13 176.563 . A 9 ARG CA C 13 56.233 . A 9 ARG CB C 13 28.977 . A 9 ARG CD C 13 42.628 . A 9 ARG CG C 13 26.050 . A 9 ARG N N 15 121.320 . A 9 ARG NHy N 15 115.742 . A 10 ALA H H 1 8.225 . A 10 ALA HA H 1 4.333 . A 10 ALA HB% H 1 1.540 . A 10 ALA C C 13 178.129 . A 10 ALA CA C 13 52.348 . A 10 ALA CB C 13 17.396 . A 10 ALA N N 15 123.900 . A 11 HIS H H 1 8.500 . A 11 HIS HA H 1 4.740 . A 11 HIS HBx H 1 3.475 . A 11 HIS HD2 H 1 7.416 . A 11 HIS HE1 H 1 8.737 . A 11 HIS C C 13 175.013 . A 11 HIS CA C 13 55.041 . A 11 HIS CB C 13 27.391 . A 11 HIS CD2 C 13 117.068 . A 11 HIS CE1 C 13 133.735 . A 11 HIS N N 15 117.829 . A 12 GLU H H 1 8.456 . A 12 GLU HA H 1 4.326 . A 12 GLU HBx H 1 2.262 . A 12 GLU HBy H 1 2.262 . A 12 GLU HGx H 1 2.481 . A 12 GLU HGy H 1 2.481 . A 12 GLU C C 13 176.808 . A 12 GLU CA C 13 56.517 . A 12 GLU CB C 13 28.289 . A 12 GLU CG C 13 34.398 . A 12 GLU N N 15 121.398 . A 13 ALA H H 1 8.444 . A 13 ALA HA H 1 4.309 . A 13 ALA HB% H 1 1.596 . A 13 ALA C C 13 178.197 . A 13 ALA CA C 13 53.511 . A 13 ALA CB C 13 17.174 . A 13 ALA N N 15 124.231 . A 14 LYS H H 1 8.136 . A 14 LYS HA H 1 4.257 . A 14 LYS HBx H 1 1.824 . A 14 LYS HBy H 1 1.892 . A 14 LYS HDx H 1 1.722 . A 14 LYS HDy H 1 1.722 . A 14 LYS HEx H 1 3.075 . A 14 LYS HEy H 1 3.075 . A 14 LYS HGx H 1 1.376 . A 14 LYS HGy H 1 1.475 . A 14 LYS C C 13 176.757 . A 14 LYS CA C 13 56.461 . A 14 LYS CB C 13 31.191 . A 14 LYS CD C 13 27.421 . A 14 LYS CE C 13 40.724 . A 14 LYS CG C 13 23.349 . A 14 LYS N N 15 120.159 . A 15 PHE H H 1 7.998 . A 15 PHE HA H 1 4.527 . A 15 PHE HBx H 1 3.082 . A 15 PHE HBy H 1 3.402 . A 15 PHE HDx H 1 7.406 . A 15 PHE HDy H 1 7.406 . A 15 PHE HEx H 1 7.479 . A 15 PHE HEy H 1 7.479 . A 15 PHE HZ H 1 7.455 . A 15 PHE C C 13 175.635 . A 15 PHE CA C 13 57.992 . A 15 PHE CB C 13 37.908 . A 15 PHE CDx C 13 129.045 . A 15 PHE CDy C 13 129.045 . A 15 PHE CEx C 13 129.006 . A 15 PHE CEy C 13 129.006 . A 15 PHE CZ C 13 126.988 . A 15 PHE N N 15 118.588 . A 16 ALA H H 1 8.172 . A 16 ALA HA H 1 4.317 . A 16 ALA HB% H 1 1.537 . A 16 ALA C C 13 177.641 . A 16 ALA CA C 13 52.317 . A 16 ALA CB C 13 17.378 . A 16 ALA N N 15 122.847 . A 17 HIS H H 1 8.218 . A 17 HIS HA H 1 4.839 . A 17 HIS HBx H 1 3.354 . A 17 HIS HBy H 1 3.569 . A 17 HIS HD2 H 1 7.508 . A 17 HIS HE1 H 1 8.671 . A 17 HIS CA C 13 54.594 . A 17 HIS CB C 13 27.532 . A 17 HIS CD2 C 13 117.575 . A 17 HIS CE1 C 13 134.083 . A 17 HIS N N 15 115.904 . A 18 ASP H H 1 8.103 . A 18 ASP HA H 1 4.758 . A 18 ASP HBx H 1 2.770 . A 18 ASP HBy H 1 2.966 . A 18 ASP CA C 13 53.004 . A 18 ASP CB C 13 39.571 . A 18 ASP N N 15 121.432 . A 19 ALA H H 1 8.588 . A 19 ALA HA H 1 4.303 . A 19 ALA HB% H 1 1.597 . A 19 ALA CA C 13 53.177 . A 19 ALA CB C 13 17.231 . A 19 ALA N N 15 126.628 . A 20 GLU H H 1 8.391 . A 20 GLU HA H 1 4.314 . A 20 GLU HBx H 1 2.316 . A 20 GLU HBy H 1 2.316 . A 20 GLU HGx H 1 2.467 . A 20 GLU CA C 13 57.403 . A 20 GLU CB C 13 27.780 . A 20 GLU CG C 13 34.440 . A 20 GLU N N 15 119.826 . A 21 LEU H H 1 8.134 . A 21 LEU HA H 1 4.179 . A 21 LEU HBx H 1 1.703 . A 21 LEU HBy H 1 1.795 . A 21 LEU HDx% H 1 0.839 . A 21 LEU HDy% H 1 0.962 . A 21 LEU HG H 1 1.745 . A 21 LEU CA C 13 56.531 . A 21 LEU CB C 13 40.255 . A 21 LEU CDx C 13 22.887 . A 21 LEU CDy C 13 23.750 . A 21 LEU CG C 13 25.881 . A 21 LEU N N 15 122.268 . A 22 ASN H H 1 8.456 . A 22 ASN HA H 1 4.665 . A 22 ASN HBy H 1 3.128 . A 22 ASN HBx H 1 2.975 . A 22 ASN HD2x H 1 7.110 . A 22 ASN HD2y H 1 7.692 . A 22 ASN CA C 13 55.493 . A 22 ASN CB C 13 37.084 . A 22 ASN N N 15 118.005 . A 22 ASN ND2 N 15 114.646 . A 23 PHE H H 1 8.453 . A 23 PHE HA H 1 4.509 . A 23 PHE HBx H 1 3.427 . A 23 PHE HBy H 1 3.427 . A 23 PHE HDx H 1 7.407 . A 23 PHE CA C 13 59.496 . A 23 PHE CB C 13 37.380 . A 23 PHE CDy C 13 129.123 . A 23 PHE CDx C 13 125.592 . A 23 PHE N N 15 121.379 . A 24 LYS H H 1 8.504 . A 24 LYS HA H 1 4.191 . A 24 LYS HBx H 1 2.016 . A 24 LYS HBy H 1 2.237 . A 24 LYS HDy H 1 1.903 . A 24 LYS HDx H 1 1.842 . A 24 LYS HEx H 1 3.168 . A 24 LYS HEy H 1 3.168 . A 24 LYS HGy H 1 2.019 . A 24 LYS HGx H 1 1.686 . A 24 LYS C C 13 179.309 . A 24 LYS CA C 13 58.132 . A 24 LYS CB C 13 31.828 . A 24 LYS CD C 13 28.504 . A 24 LYS CE C 13 40.794 . A 24 LYS CG C 13 25.065 . A 24 LYS N N 15 120.674 . A 25 ALA H H 1 8.841 . A 25 ALA HA H 1 4.146 . A 25 ALA HB% H 1 1.634 . A 25 ALA C C 13 178.243 . A 25 ALA CA C 13 53.760 . A 25 ALA CB C 13 16.827 . A 25 ALA N N 15 123.584 . A 26 GLU H H 1 8.482 . A 26 GLU HA H 1 4.083 . A 26 GLU HBy H 1 2.270 . A 26 GLU HBx H 1 2.175 . A 26 GLU HGx H 1 2.507 . A 26 GLU HGy H 1 2.507 . A 26 GLU C C 13 177.265 . A 26 GLU CA C 13 57.850 . A 26 GLU CB C 13 28.891 . A 26 GLU CG C 13 34.012 . A 26 GLU N N 15 122.239 . A 27 ALA H H 1 8.043 . A 27 ALA HA H 1 4.352 . A 27 ALA HB% H 1 1.550 . A 27 ALA C C 13 180.552 . A 27 ALA CA C 13 53.519 . A 27 ALA CB C 13 16.410 . A 27 ALA N N 15 122.124 . A 28 ARG H H 1 8.101 . A 28 ARG HA H 1 4.441 . A 28 ARG HBx H 1 2.197 . A 28 ARG HBy H 1 2.197 . A 28 ARG HDx H 1 3.380 . A 28 ARG HDy H 1 3.380 . A 28 ARG HGx H 1 2.197 . A 28 ARG HGy H 1 2.197 . A 28 ARG C C 13 176.309 . A 28 ARG CA C 13 55.369 . A 28 ARG CB C 13 28.480 . A 28 ARG CD C 13 41.942 . A 28 ARG CG C 13 26.378 . A 28 ARG N N 15 120.375 . A 28 ARG NHy N 15 114.960 . A 29 ARG H H 1 8.901 . A 29 ARG HA H 1 3.743 . A 29 ARG HBx H 1 2.188 . A 29 ARG HGy H 1 2.402 . A 29 ARG HGx H 1 2.004 . A 29 ARG CA C 13 58.672 . A 29 ARG CB C 13 29.051 . A 29 ARG CD C 13 41.660 . A 29 ARG CG C 13 27.731 . A 29 ARG N N 15 122.734 . A 29 ARG NHy N 15 110.625 . A 30 ASN H H 1 8.429 . A 30 ASN HA H 1 4.634 . A 30 ASN HBy H 1 3.178 . A 30 ASN HBx H 1 3.047 . A 30 ASN HD2x H 1 7.608 . A 30 ASN HD2y H 1 8.011 . A 30 ASN C C 13 175.888 . A 30 ASN CA C 13 55.147 . A 30 ASN CB C 13 35.418 . A 30 ASN N N 15 119.961 . A 30 ASN ND2 N 15 112.491 . A 31 ARG H H 1 8.052 . A 31 ARG HA H 1 4.282 . A 31 ARG HBx H 1 2.235 . A 31 ARG HBy H 1 2.235 . A 31 ARG HDx H 1 3.077 . A 31 ARG HDy H 1 3.077 . A 31 ARG HGx H 1 1.962 . A 31 ARG HGy H 1 1.962 . A 31 ARG C C 13 177.804 . A 31 ARG CA C 13 58.132 . A 31 ARG CB C 13 27.636 . A 31 ARG CD C 13 41.594 . A 31 ARG N N 15 123.400 . A 31 ARG NHy N 15 114.684 . A 32 LEU H H 1 8.752 . A 32 LEU HA H 1 4.318 . A 32 LEU HBx H 1 1.761 . A 32 LEU HBy H 1 2.237 . A 32 LEU HDx% H 1 1.107 . A 32 LEU HDy% H 1 1.010 . A 32 LEU HG H 1 2.118 . A 32 LEU C C 13 180.602 . A 32 LEU CA C 13 56.471 . A 32 LEU CB C 13 40.558 . A 32 LEU CDx C 13 20.306 . A 32 LEU CDy C 13 23.954 . A 32 LEU CG C 13 25.465 . A 32 LEU N N 15 119.872 . A 33 LEU H H 1 9.273 . A 33 LEU HA H 1 4.301 . A 33 LEU HBx H 1 1.897 . A 33 LEU HBy H 1 2.298 . A 33 LEU HDx% H 1 0.937 . A 33 LEU HDy% H 1 1.111 . A 33 LEU HG H 1 1.961 . A 33 LEU C C 13 177.992 . A 33 LEU CA C 13 56.482 . A 33 LEU CB C 13 41.626 . A 33 LEU CDx C 13 23.931 . A 33 LEU CDy C 13 25.680 . A 33 LEU CG C 13 25.621 . A 33 LEU N N 15 124.468 . A 34 GLY H H 1 8.907 . A 34 GLY HAx H 1 4.170 . A 34 GLY HAy H 1 4.170 . A 34 GLY C C 13 174.530 . A 34 GLY CA C 13 45.447 . A 34 GLY N N 15 109.045 . A 35 GLU H H 1 8.935 . A 35 GLU HA H 1 4.177 . A 35 GLU HBx H 1 2.397 . A 35 GLU HGy H 1 2.782 . A 35 GLU HGx H 1 2.449 . A 35 GLU C C 13 178.866 . A 35 GLU CA C 13 59.564 . A 35 GLU CB C 13 27.692 . A 35 GLU CG C 13 35.255 . A 35 GLU N N 15 123.414 . A 36 TRP H H 1 8.531 . A 36 TRP HA H 1 4.604 . A 36 TRP HBy H 1 3.875 . A 36 TRP HBx H 1 3.618 . A 36 TRP HD1 H 1 7.573 . A 36 TRP HE1 H 1 10.576 . A 36 TRP HE3 H 1 7.963 . A 36 TRP HH2 H 1 6.788 . A 36 TRP HZ2 H 1 7.434 . A 36 TRP HZ3 H 1 6.871 . A 36 TRP C C 13 177.618 . A 36 TRP CA C 13 58.867 . A 36 TRP CB C 13 26.021 . A 36 TRP CD1 C 13 124.453 . A 36 TRP CE3 C 13 117.660 . A 36 TRP CH2 C 13 120.035 . A 36 TRP CZ2 C 13 112.217 . A 36 TRP CZ3 C 13 117.736 . A 36 TRP N N 15 124.774 . A 36 TRP NE1 N 15 132.002 . A 37 ALA H H 1 9.141 . A 37 ALA HA H 1 3.403 . A 37 ALA HB% H 1 1.746 . A 37 ALA C C 13 177.427 . A 37 ALA CA C 13 53.148 . A 37 ALA CB C 13 18.440 . A 37 ALA N N 15 123.777 . A 38 ALA H H 1 8.788 . A 38 ALA HA H 1 3.523 . A 38 ALA HB% H 1 1.741 . A 38 ALA C C 13 178.670 . A 38 ALA CA C 13 53.882 . A 38 ALA CB C 13 17.083 . A 38 ALA N N 15 119.259 . A 39 GLY H H 1 7.756 . A 39 GLY HAy H 1 4.105 . A 39 GLY HAx H 1 4.062 . A 39 GLY C C 13 177.232 . A 39 GLY CA C 13 45.519 . A 39 GLY N N 15 104.011 . A 40 LEU H H 1 7.511 . A 40 LEU HA H 1 4.111 . A 40 LEU HBy H 1 1.627 . A 40 LEU HBx H 1 1.114 . A 40 LEU HDx% H 1 0.790 . A 40 LEU HDy% H 1 0.296 . A 40 LEU HG H 1 1.307 . A 40 LEU C C 13 178.203 . A 40 LEU CA C 13 56.123 . A 40 LEU CB C 13 40.764 . A 40 LEU CDx C 13 22.130 . A 40 LEU CDy C 13 24.145 . A 40 LEU CG C 13 26.147 . A 40 LEU N N 15 125.340 . A 41 LEU H H 1 7.692 . A 41 LEU HA H 1 4.139 . A 41 LEU HBx H 1 1.512 . A 41 LEU HBy H 1 1.620 . A 41 LEU HDx% H 1 0.840 . A 41 LEU HDy% H 1 0.237 . A 41 LEU HG H 1 1.500 . A 41 LEU C C 13 176.119 . A 41 LEU CA C 13 53.213 . A 41 LEU CB C 13 41.092 . A 41 LEU CDx C 13 20.798 . A 41 LEU CDy C 13 23.072 . A 41 LEU CG C 13 24.563 . A 41 LEU N N 15 117.234 . A 42 GLY H H 1 7.896 . A 42 GLY HAx H 1 3.924 . A 42 GLY HAy H 1 4.163 . A 42 GLY C C 13 173.775 . A 42 GLY CA C 13 44.409 . A 42 GLY N N 15 109.595 . A 43 LYS H H 1 8.104 . A 43 LYS HA H 1 4.737 . A 43 LYS HBx H 1 1.411 . A 43 LYS HBy H 1 1.622 . A 43 LYS HEx H 1 2.696 . A 43 LYS HGx H 1 1.239 . A 43 LYS HGy H 1 1.581 . A 43 LYS C C 13 175.246 . A 43 LYS CA C 13 54.189 . A 43 LYS CB C 13 33.208 . A 43 LYS CE C 13 40.724 . A 43 LYS CG C 13 24.085 . A 43 LYS N N 15 119.965 . A 44 THR H H 1 8.958 . A 44 THR HA H 1 4.773 . A 44 THR HB H 1 4.407 . A 44 THR HG2% H 1 1.271 . A 44 THR C C 13 174.392 . A 44 THR CA C 13 58.348 . A 44 THR CB C 13 70.921 . A 44 THR CG2 C 13 20.051 . A 44 THR N N 15 114.199 . A 45 GLY H H 1 8.885 . A 45 GLY HAx H 1 4.015 . A 45 GLY HAy H 1 4.180 . A 45 GLY C C 13 175.330 . A 45 GLY CA C 13 45.315 . A 45 GLY N N 15 109.657 . A 46 ASP H H 1 9.318 . A 46 ASP HA H 1 4.561 . A 46 ASP HBx H 1 2.843 . A 46 ASP HBy H 1 2.925 . A 46 ASP C C 13 177.343 . A 46 ASP CA C 13 55.829 . A 46 ASP CB C 13 39.039 . A 46 ASP N N 15 128.403 . A 47 ASP H H 1 8.521 . A 47 ASP HA H 1 4.668 . A 47 ASP HBx H 1 2.971 . A 47 ASP HBy H 1 3.184 . A 47 ASP CA C 13 55.545 . A 47 ASP CB C 13 39.415 . A 47 ASP N N 15 121.367 . A 48 ALA H H 1 7.262 . A 48 ALA HA H 1 3.940 . A 48 ALA HB% H 1 1.355 . A 48 ALA CA C 13 53.331 . A 48 ALA CB C 13 16.036 . A 48 ALA N N 15 123.210 . A 49 ARG H H 1 7.805 . A 49 ARG HA H 1 4.126 . A 49 ARG HBx H 1 2.078 . A 49 ARG HBy H 1 2.078 . A 49 ARG HDy H 1 3.397 . A 49 ARG HGx H 1 1.753 . A 49 ARG HGy H 1 1.887 . A 49 ARG CA C 13 57.876 . A 49 ARG CB C 13 28.774 . A 49 ARG CD C 13 41.917 . A 49 ARG CG C 13 26.285 . A 49 ARG N N 15 120.088 . A 50 ALA H H 1 8.387 . A 50 ALA HA H 1 4.218 . A 50 ALA HB% H 1 1.677 . A 50 ALA CA C 13 53.399 . A 50 ALA CB C 13 16.672 . A 50 ALA N N 15 121.061 . A 51 TYR H H 1 8.095 . A 51 TYR HA H 1 4.231 . A 51 TYR HBy H 1 3.272 . A 51 TYR HBx H 1 3.012 . A 51 TYR HDx H 1 7.059 . A 51 TYR HDy H 1 7.060 . A 51 TYR HEx H 1 6.748 . A 51 TYR HEy H 1 6.748 . A 51 TYR C C 13 178.335 . A 51 TYR CA C 13 60.493 . A 51 TYR CB C 13 37.094 . A 51 TYR CDy C 13 129.412 . A 51 TYR CDx C 13 129.372 . A 51 TYR CEx C 13 115.397 . A 51 TYR CEy C 13 115.525 . A 51 TYR N N 15 119.264 . A 52 ALA H H 1 8.651 . A 52 ALA HA H 1 3.899 . A 52 ALA HB% H 1 1.728 . A 52 ALA C C 13 178.352 . A 52 ALA CA C 13 54.394 . A 52 ALA CB C 13 16.369 . A 52 ALA N N 15 124.002 . A 53 LEU H H 1 7.664 . A 53 LEU HA H 1 4.301 . A 53 LEU HBx H 1 1.795 . A 53 LEU HBy H 1 1.960 . A 53 LEU HDx% H 1 1.015 . A 53 LEU HDy% H 1 1.052 . A 53 LEU HG H 1 1.996 . A 53 LEU C C 13 177.452 . A 53 LEU CA C 13 55.412 . A 53 LEU CB C 13 40.510 . A 53 LEU CDx C 13 21.716 . A 53 LEU CDy C 13 23.588 . A 53 LEU CG C 13 25.450 . A 53 LEU N N 15 116.593 . A 54 THR H H 1 7.962 . A 54 THR HA H 1 4.401 . A 54 THR HB H 1 4.344 . A 54 THR HG2% H 1 1.446 . A 54 THR CA C 13 61.997 . A 54 THR CB C 13 67.988 . A 54 THR CG2 C 13 20.222 . A 54 THR N N 15 110.998 . A 55 VAL H H 1 7.217 . A 55 VAL HA H 1 3.869 . A 55 VAL HB H 1 2.324 . A 55 VAL HGx% H 1 1.044 . A 55 VAL HGy% H 1 0.867 . A 55 VAL CA C 13 62.373 . A 55 VAL CB C 13 29.037 . A 55 VAL CGy C 13 21.296 . A 55 VAL CGx C 13 21.164 . A 55 VAL N N 15 123.907 . A 56 VAL H H 1 7.474 . A 56 VAL HA H 1 4.300 . A 56 VAL HB H 1 2.347 . A 56 VAL HGx% H 1 1.089 . A 56 VAL HGy% H 1 1.046 . A 56 VAL CA C 13 55.363 . A 56 VAL CB C 13 32.466 . A 56 VAL CGx C 13 19.173 . A 56 VAL CGy C 13 21.282 . A 56 VAL N N 15 119.176 . A 57 THR H H 1 7.992 . A 57 THR HA H 1 4.509 . A 57 THR HB H 1 4.347 . A 57 THR HG2% H 1 1.285 . A 57 THR CA C 13 60.698 . A 57 THR CB C 13 68.177 . A 57 THR CG2 C 13 19.948 . A 57 THR N N 15 114.951 . A 58 SER H H 1 8.473 . A 58 SER HA H 1 4.554 . A 58 SER HBx H 1 3.966 . A 58 SER HBy H 1 4.024 . A 58 SER CA C 13 57.409 . A 58 SER CB C 13 62.399 . A 58 SER N N 15 119.820 . A 59 ASP H H 1 8.285 . A 59 ASP HA H 1 4.762 . A 59 ASP HBy H 1 2.751 . A 59 ASP HBx H 1 2.642 . A 59 ASP C C 13 175.459 . A 59 ASP CA C 13 52.469 . A 59 ASP CB C 13 39.455 . A 59 ASP N N 15 122.199 . A 60 PHE HA H 1 4.182 . A 60 PHE HBx H 1 2.455 . A 60 PHE HBy H 1 2.766 . A 60 PHE HDx H 1 7.312 . A 60 PHE HDy H 1 7.312 . A 60 PHE HEx H 1 7.464 . A 60 PHE HEy H 1 7.464 . A 60 PHE CA C 13 59.253 . A 60 PHE CB C 13 35.163 . A 60 PHE CDx C 13 126.664 . A 60 PHE CDy C 13 126.664 . A 60 PHE CEy C 13 128.291 . A 63 PRO HA H 1 4.606 . A 63 PRO HBx H 1 2.104 . A 63 PRO HBy H 1 2.104 . A 63 PRO HDx H 1 3.914 . A 63 PRO HDy H 1 3.914 . A 63 PRO HGy H 1 2.156 . A 63 PRO CA C 13 55.716 . A 63 PRO CB C 13 30.732 . A 63 PRO CD C 13 49.042 . A 63 PRO CG C 13 26.259 . A 64 GLY H H 1 8.706 . A 64 GLY HAx H 1 4.237 . A 64 GLY HAy H 1 4.237 . A 64 GLY CA C 13 44.280 . A 64 GLY N N 15 110.382 . A 65 ASP H H 1 8.661 . A 65 ASP HA H 1 4.663 . A 65 ASP HBx H 1 2.876 . A 65 ASP HBy H 1 2.876 . A 65 ASP CA C 13 55.765 . A 65 ASP CB C 13 39.579 . A 65 ASP N N 15 121.977 . A 66 GLU H H 1 8.643 . A 66 GLU HA H 1 4.437 . A 66 GLU HBx H 1 2.250 . A 66 GLU HBy H 1 2.250 . A 66 GLU HGx H 1 2.599 . A 66 GLU HGy H 1 2.599 . A 66 GLU CA C 13 57.520 . A 66 GLU CB C 13 27.598 . A 66 GLU CG C 13 34.205 . A 66 GLU N N 15 120.065 . A 67 ASP H H 1 8.272 . A 67 ASP HA H 1 4.609 . A 67 ASP HBx H 1 2.977 . A 67 ASP CA C 13 55.601 . A 67 ASP CB C 13 39.106 . A 67 ASP N N 15 120.033 . A 68 VAL H H 1 8.045 . A 68 VAL HA H 1 3.817 . A 68 VAL HB H 1 2.225 . A 68 VAL HGx% H 1 1.098 . A 68 VAL HGy% H 1 1.011 . A 68 VAL CA C 13 65.715 . A 68 VAL CB C 13 30.705 . A 68 VAL CGy C 13 21.299 . A 68 VAL CGx C 13 20.168 . A 68 VAL N N 15 123.206 . A 69 PHE H H 1 8.488 . A 69 PHE HA H 1 4.158 . A 69 PHE HBx H 1 3.270 . A 69 PHE HBy H 1 3.270 . A 69 PHE HDx H 1 7.319 . A 69 PHE HDy H 1 7.319 . A 69 PHE CA C 13 61.013 . A 69 PHE CB C 13 37.455 . A 69 PHE CDx C 13 129.407 . A 69 PHE CDy C 13 129.410 . A 69 PHE CEy C 13 126.664 . A 69 PHE N N 15 120.600 . A 70 ARG H H 1 8.611 . A 70 ARG HA H 1 3.755 . A 70 ARG HBy H 1 2.184 . A 70 ARG HBx H 1 2.024 . A 70 ARG HGx H 1 1.916 . A 70 ARG C C 13 178.813 . A 70 ARG CA C 13 58.184 . A 70 ARG CB C 13 28.899 . A 70 ARG CD C 13 42.748 . A 70 ARG CG C 13 26.988 . A 70 ARG N N 15 117.820 . A 71 LYS H H 1 7.686 . A 71 LYS HA H 1 4.253 . A 71 LYS HBy H 1 2.175 . A 71 LYS HDx H 1 2.246 . A 71 LYS HDy H 1 2.246 . A 71 LYS C C 13 177.020 . A 71 LYS CA C 13 58.490 . A 71 LYS CB C 13 31.216 . A 71 LYS CD C 13 27.156 . A 71 LYS CG C 13 23.998 . A 71 LYS N N 15 121.726 . A 72 LEU H H 1 8.215 . A 72 LEU HA H 1 4.051 . A 72 LEU HBy H 1 2.113 . A 72 LEU HBx H 1 1.430 . A 72 LEU HDx% H 1 1.159 . A 72 LEU HDy% H 1 1.129 . A 72 LEU HG H 1 1.133 . A 72 LEU C C 13 177.378 . A 72 LEU CA C 13 56.317 . A 72 LEU CB C 13 41.148 . A 72 LEU CDy C 13 26.597 . A 72 LEU CDx C 13 22.114 . A 72 LEU CG C 13 25.741 . A 72 LEU N N 15 119.355 . A 73 ALA H H 1 9.143 . A 73 ALA HA H 1 3.767 . A 73 ALA HB% H 1 0.999 . A 73 ALA C C 13 179.644 . A 73 ALA CA C 13 53.263 . A 73 ALA CB C 13 15.930 . A 73 ALA N N 15 121.106 . A 74 ALA H H 1 7.403 . A 74 ALA HA H 1 4.384 . A 74 ALA HB% H 1 1.678 . A 74 ALA C C 13 179.752 . A 74 ALA CA C 13 53.524 . A 74 ALA CB C 13 17.094 . A 74 ALA N N 15 119.383 . A 75 ASP H H 1 8.536 . A 75 ASP HA H 1 4.523 . A 75 ASP HBy H 1 2.874 . A 75 ASP HBx H 1 2.721 . A 75 ASP C C 13 177.704 . A 75 ASP CA C 13 55.312 . A 75 ASP CB C 13 38.326 . A 75 ASP N N 15 120.226 . A 76 LEU H H 1 8.612 . A 76 LEU HA H 1 4.392 . A 76 LEU HBy H 1 2.041 . A 76 LEU HBx H 1 1.704 . A 76 LEU HDx% H 1 0.671 . A 76 LEU HDy% H 1 0.714 . A 76 LEU HG H 1 1.773 . A 76 LEU C C 13 174.790 . A 76 LEU CA C 13 52.624 . A 76 LEU CB C 13 39.594 . A 76 LEU CDx C 13 21.253 . A 76 LEU CDy C 13 25.393 . A 76 LEU CG C 13 25.437 . A 76 LEU N N 15 115.468 . A 77 GLU H H 1 7.158 . A 77 GLU HA H 1 4.343 . A 77 GLU HBy H 1 2.394 . A 77 GLU HBx H 1 2.174 . A 77 GLU HGy H 1 2.622 . A 77 GLU HGx H 1 2.514 . A 77 GLU C C 13 176.953 . A 77 GLU CA C 13 57.345 . A 77 GLU CB C 13 27.555 . A 77 GLU CG C 13 33.573 . A 77 GLU N N 15 124.725 . A 78 GLY H H 1 9.392 . A 78 GLY HAy H 1 4.476 . A 78 GLY HAx H 1 3.873 . A 78 GLY C C 13 173.075 . A 78 GLY CA C 13 44.269 . A 78 GLY N N 15 118.105 . A 79 LYS H H 1 8.809 . A 79 LYS HA H 1 4.663 . A 79 LYS HBy H 1 1.816 . A 79 LYS HBx H 1 1.710 . A 79 LYS HDx H 1 1.616 . A 79 LYS HDy H 1 1.717 . A 79 LYS HEx H 1 3.126 . A 79 LYS HEy H 1 3.126 . A 79 LYS HGx H 1 1.414 . A 79 LYS HGy H 1 1.414 . A 79 LYS C C 13 175.050 . A 79 LYS CA C 13 54.683 . A 79 LYS CB C 13 33.435 . A 79 LYS CD C 13 27.240 . A 79 LYS CE C 13 41.060 . A 79 LYS CG C 13 23.608 . A 79 LYS N N 15 120.237 . A 80 ALA H H 1 8.169 . A 80 ALA HA H 1 4.893 . A 80 ALA HB% H 1 1.498 . A 80 ALA C C 13 174.051 . A 80 ALA CA C 13 50.289 . A 80 ALA CB C 13 20.483 . A 80 ALA N N 15 121.135 . A 81 ASP H H 1 8.330 . A 81 ASP HA H 1 4.898 . A 81 ASP HBx H 1 2.976 . A 81 ASP HBy H 1 3.479 . A 81 ASP CA C 13 50.397 . A 81 ASP CB C 13 40.401 . A 81 ASP N N 15 121.569 . A 82 GLU H H 1 8.923 . A 82 GLU HA H 1 4.185 . A 82 GLU HBy H 1 2.507 . A 82 GLU HBx H 1 2.396 . A 82 GLU HGy H 1 2.770 . A 82 GLU HGx H 1 2.447 . A 82 GLU C C 13 177.350 . A 82 GLU CA C 13 59.676 . A 82 GLU CB C 13 27.893 . A 82 GLU CG C 13 35.224 . A 82 GLU N N 15 119.843 . A 83 GLU H H 1 8.832 . A 83 GLU HA H 1 4.177 . A 83 GLU HBx H 1 2.184 . A 83 GLU HBy H 1 2.270 . A 83 GLU HGx H 1 2.238 . A 83 GLU HGy H 1 2.238 . A 83 GLU C C 13 178.794 . A 83 GLU CA C 13 59.082 . A 83 GLU CB C 13 28.879 . A 83 GLU CG C 13 31.693 . A 83 GLU N N 15 119.348 . A 84 THR H H 1 8.576 . A 84 THR HA H 1 4.140 . A 84 THR HB H 1 4.692 . A 84 THR HG2% H 1 1.635 . A 84 THR C C 13 176.165 . A 84 THR CA C 13 65.721 . A 84 THR CB C 13 66.751 . A 84 THR CG2 C 13 19.493 . A 84 THR N N 15 119.892 . A 85 ILE H H 1 8.572 . A 85 ILE HA H 1 3.819 . A 85 ILE HB H 1 2.255 . A 85 ILE HD1% H 1 0.835 . A 85 ILE HG1x H 1 1.099 . A 85 ILE HG1y H 1 2.281 . A 85 ILE HG2% H 1 1.246 . A 85 ILE C C 13 174.809 . A 85 ILE CA C 13 64.891 . A 85 ILE CB C 13 37.797 . A 85 ILE CD1 C 13 12.639 . A 85 ILE CG1 C 13 28.391 . A 85 ILE CG2 C 13 17.933 . A 85 ILE N N 15 123.655 . A 86 ARG H H 1 9.092 . A 86 ARG HA H 1 4.186 . A 86 ARG HBx H 1 1.720 . A 86 ARG HBy H 1 1.934 . A 86 ARG HDx H 1 3.093 . A 86 ARG HDy H 1 3.093 . A 86 ARG HGx H 1 1.966 . A 86 ARG HGy H 1 1.966 . A 86 ARG CA C 13 58.766 . A 86 ARG CB C 13 28.165 . A 86 ARG CD C 13 41.541 . A 86 ARG CG C 13 27.286 . A 86 ARG N N 15 119.670 . A 87 ALA H H 1 8.242 . A 87 ALA HA H 1 4.307 . A 87 ALA HB% H 1 1.664 . A 87 ALA CA C 13 53.558 . A 87 ALA CB C 13 16.382 . A 87 ALA N N 15 121.431 . A 88 LYS H H 1 8.182 . A 88 LYS HA H 1 4.011 . A 88 LYS HBx H 1 1.322 . A 88 LYS HBy H 1 1.398 . A 88 LYS HDx H 1 1.134 . A 88 LYS HDy H 1 1.134 . A 88 LYS HGx H 1 -0.426 . A 88 LYS HGy H 1 0.361 . A 88 LYS CA C 13 55.172 . A 88 LYS CB C 13 29.078 . A 88 LYS CD C 13 25.702 . A 88 LYS CG C 13 20.680 . A 88 LYS N N 15 122.742 . A 89 MET H H 1 8.504 . A 89 MET HA H 1 3.854 . A 89 MET HBx H 1 2.439 . A 89 MET HBy H 1 2.507 . A 89 MET HE% H 1 2.330 . A 89 MET HGx H 1 3.159 . A 89 MET HGy H 1 3.159 . A 89 MET CA C 13 59.175 . A 89 MET CB C 13 31.697 . A 89 MET CE C 13 14.946 . A 89 MET CG C 13 31.695 . A 89 MET N N 15 118.686 . A 90 VAL H H 1 7.573 . A 90 VAL HA H 1 3.853 . A 90 VAL HB H 1 2.316 . A 90 VAL HGx% H 1 1.240 . A 90 VAL HGy% H 1 1.127 . A 90 VAL C C 13 178.017 . A 90 VAL CA C 13 64.868 . A 90 VAL CB C 13 31.054 . A 90 VAL CGy C 13 21.206 . A 90 VAL CGx C 13 19.906 . A 90 VAL N N 15 120.987 . A 91 GLU H H 1 8.494 . A 91 GLU HA H 1 3.802 . A 91 GLU HBx H 1 2.221 . A 91 GLU HBy H 1 2.221 . A 91 GLU C C 13 177.612 . A 91 GLU CA C 13 58.414 . A 91 GLU CB C 13 30.606 . A 91 GLU CG C 13 34.892 . A 91 GLU N N 15 124.236 . A 92 LEU H H 1 8.833 . A 92 LEU HA H 1 4.336 . A 92 LEU HBx H 1 1.566 . A 92 LEU HBy H 1 1.854 . A 92 LEU HDx% H 1 0.800 . A 92 LEU HDy% H 1 0.997 . A 92 LEU HG H 1 1.833 . A 92 LEU C C 13 177.928 . A 92 LEU CA C 13 56.351 . A 92 LEU CB C 13 39.780 . A 92 LEU CDy C 13 23.816 . A 92 LEU CDx C 13 20.733 . A 92 LEU CG C 13 25.748 . A 92 LEU N N 15 114.818 . A 93 ARG H H 1 7.746 . A 93 ARG HA H 1 3.997 . A 93 ARG HBx H 1 2.160 . A 93 ARG HBy H 1 2.160 . A 93 ARG HDy H 1 3.279 . A 93 ARG C C 13 176.350 . A 93 ARG CA C 13 58.848 . A 93 ARG CB C 13 28.592 . A 93 ARG CD C 13 41.984 . A 93 ARG CG C 13 27.164 . A 93 ARG N N 15 123.398 . A 94 ALA H H 1 7.322 . A 94 ALA HA H 1 4.261 . A 94 ALA HB% H 1 1.732 . A 94 ALA C C 13 179.805 . A 94 ALA CA C 13 54.529 . A 94 ALA CB C 13 16.423 . A 94 ALA N N 15 122.480 . A 95 THR H H 1 8.275 . A 95 THR HA H 1 4.045 . A 95 THR HB H 1 4.149 . A 95 THR HG2% H 1 1.363 . A 95 THR C C 13 175.007 . A 95 THR CA C 13 64.868 . A 95 THR CB C 13 67.633 . A 95 THR CG2 C 13 20.691 . A 95 THR N N 15 116.936 . A 96 ALA H H 1 8.688 . A 96 ALA HA H 1 3.904 . A 96 ALA HB% H 1 1.676 . A 96 ALA C C 13 178.184 . A 96 ALA CA C 13 54.098 . A 96 ALA CB C 13 18.118 . A 96 ALA N N 15 123.969 . A 97 ARG H H 1 8.073 . A 97 ARG HA H 1 3.857 . A 97 ARG HBy H 1 2.013 . A 97 ARG HBx H 1 1.938 . A 97 ARG HGx H 1 1.754 . A 97 ARG C C 13 176.770 . A 97 ARG CA C 13 58.669 . A 97 ARG CB C 13 28.932 . A 97 ARG CG C 13 27.069 . A 97 ARG N N 15 117.393 . A 98 GLU H H 1 7.896 . A 98 GLU HA H 1 4.180 . A 98 GLU HBx H 1 2.337 . A 98 GLU HBy H 1 2.389 . A 98 GLU HGy H 1 2.617 . A 98 GLU HGx H 1 2.554 . A 98 GLU C C 13 178.865 . A 98 GLU CA C 13 57.867 . A 98 GLU CB C 13 27.704 . A 98 GLU CG C 13 34.262 . A 98 GLU N N 15 118.029 . A 99 GLN H H 1 8.320 . A 99 GLN HA H 1 4.185 . A 99 GLN HBx H 1 2.318 . A 99 GLN HE2x H 1 6.556 . A 99 GLN HE2y H 1 7.598 . A 99 GLN HGx H 1 2.580 . A 99 GLN HGy H 1 3.009 . A 99 GLN C C 13 178.146 . A 99 GLN CA C 13 57.748 . A 99 GLN CB C 13 27.529 . A 99 GLN CG C 13 32.220 . A 99 GLN N N 15 119.735 . A 99 GLN NE2 N 15 109.480 . A 100 ILE H H 1 8.398 . A 100 ILE HA H 1 3.993 . A 100 ILE HB H 1 2.343 . A 100 ILE HD1% H 1 0.920 . A 100 ILE HG1y H 1 1.362 . A 100 ILE HG2% H 1 1.189 . A 100 ILE C C 13 178.315 . A 100 ILE CA C 13 60.935 . A 100 ILE CB C 13 34.935 . A 100 ILE CD1 C 13 9.438 . A 100 ILE CG1 C 13 26.929 . A 100 ILE CG2 C 13 17.766 . A 100 ILE N N 15 119.676 . A 101 ILE H H 1 8.350 . A 101 ILE HA H 1 4.027 . A 101 ILE HB H 1 2.123 . A 101 ILE HD1% H 1 0.890 . A 101 ILE HG1y H 1 1.733 . A 101 ILE HG1x H 1 1.447 . A 101 ILE HG2% H 1 1.033 . A 101 ILE C C 13 177.006 . A 101 ILE CA C 13 62.382 . A 101 ILE CB C 13 36.195 . A 101 ILE CD1 C 13 11.521 . A 101 ILE CG1 C 13 27.609 . A 101 ILE CG2 C 13 16.183 . A 101 ILE N N 15 120.600 . A 102 SER H H 1 7.896 . A 102 SER HA H 1 4.589 . A 102 SER HBy H 1 4.253 . A 102 SER HBx H 1 4.186 . A 102 SER C C 13 173.845 . A 102 SER CA C 13 58.735 . A 102 SER CB C 13 62.254 . A 102 SER N N 15 116.172 . A 103 GLU H H 1 7.780 . A 103 GLU HA H 1 4.473 . A 103 GLU HBy H 1 2.357 . A 103 GLU HBx H 1 2.171 . A 103 GLU HGx H 1 2.463 . A 103 GLU HGy H 1 2.712 . A 103 GLU C C 13 175.095 . A 103 GLU CA C 13 55.006 . A 103 GLU CB C 13 28.770 . A 103 GLU CG C 13 34.702 . A 103 GLU N N 15 122.642 . A 104 ILE H H 1 7.508 . A 104 ILE HA H 1 4.119 . A 104 ILE HB H 1 2.009 . A 104 ILE HD1% H 1 1.031 . A 104 ILE HG1y H 1 1.812 . A 104 ILE HG2% H 1 1.082 . A 104 ILE CA C 13 62.594 . A 104 ILE CB C 13 37.695 . A 104 ILE CD1 C 13 12.850 . A 104 ILE CG1 C 13 26.009 . A 104 ILE CG2 C 13 16.370 . A 104 ILE N N 15 125.992 . 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 38 ALA HB% A 39 GLY HAy 1.0 . 4.84 2 2 A 38 ALA HB% A 39 GLY HAx 1.0 . 4.75 3 3 A 44 THR HA A 45 GLY HAx 1.0 . 4.49 4 4 A 49 ARG HGx A 49 ARG HDy 1.0 . 2.66 5 5 A 93 ARG HDy A 93 ARG HBx 1.0 . 4.14 6 5 A 93 ARG HBy A 93 ARG HDy 1.0 . 4.14 7 6 A 49 ARG HDy A 46 ASP HA 1.0 . 4.26 8 7 A 49 ARG HDy A 49 ARG HBx 1.0 . 2.94 9 7 A 49 ARG HDy A 49 ARG HBy 1.0 . 2.94 10 8 A 33 LEU H A 33 LEU HBy 1.0 . 3.85 11 9 A 33 LEU HBy A 30 ASN HA 1.0 . 4.29 12 10 A 30 ASN HA A 33 LEU HBx 1.0 . 4.26 13 11 A 60 PHE HE% A 86 ARG HDx 1.0 . 4.39 14 11 A 60 PHE HE% A 86 ARG HDy 1.0 . 4.39 15 12 A 33 LEU HBx A 33 LEU HDy% 1.0 . 3.75 16 13 A 86 ARG H A 86 ARG HDx 1.0 . 4.40 17 13 A 86 ARG HDy A 86 ARG H 1.0 . 4.40 18 14 A 41 LEU HA A 79 LYS HEx 1.0 . 3.42 19 14 A 41 LEU HA A 79 LYS HEy 1.0 . 3.42 20 15 A 72 LEU HBx A 73 ALA HA 1.0 . 4.71 21 16 A 79 LYS H A 79 LYS HEx 1.0 . 4.88 22 16 A 79 LYS HEy A 79 LYS H 1.0 . 4.88 23 17 A 41 LEU H A 79 LYS HEx 1.0 . 4.03 24 17 A 79 LYS HEy A 41 LEU H 1.0 . 4.03 25 18 A 79 LYS HEx A 79 LYS HGx 1.0 . 3.11 26 18 A 79 LYS HEy A 79 LYS HGx 1.0 . 3.11 27 18 A 79 LYS HGy A 79 LYS HEx 1.0 . 3.11 28 18 A 79 LYS HEy A 79 LYS HGy 1.0 . 3.11 29 19 A 41 LEU HDx% A 79 LYS HEx 1.0 . 3.50 30 19 A 79 LYS HEy A 41 LEU HDx% 1.0 . 3.50 31 20 A 76 LEU HDx% A 79 LYS HEx 1.0 . 4.69 32 20 A 79 LYS HEy A 76 LEU HDx% 1.0 . 4.69 33 21 A 41 LEU HDy% A 79 LYS HEx 1.0 . 4.65 34 21 A 79 LYS HEy A 41 LEU HDy% 1.0 . 4.65 35 22 A 41 LEU HDy% A 41 LEU HBx 1.0 . 3.88 36 23 A 41 LEU HDx% A 41 LEU HBx 1.0 . 4.04 37 24 A 72 LEU HBx A 72 LEU H 1.0 . 4.13 38 25 A 24 LYS HGx A 24 LYS HEx 1.0 . 3.26 39 25 A 24 LYS HGx A 24 LYS HEy 1.0 . 3.26 40 26 A 41 LEU H A 40 LEU HBy 1.0 . 3.65 41 27 A 41 LEU HBx A 38 ALA HA 1.0 . 4.18 42 28 A 24 LYS HBy A 24 LYS HEx 1.0 . 4.38 43 28 A 24 LYS HEy A 24 LYS HBy 1.0 . 4.38 44 29 A 24 LYS HDx A 24 LYS HEx 1.0 . 2.90 45 29 A 24 LYS HEy A 24 LYS HDx 1.0 . 2.90 46 30 A 100 ILE HD1% A 24 LYS HEx 1.0 . 4.57 47 30 A 24 LYS HEy A 100 ILE HD1% 1.0 . 4.57 48 31 A 40 LEU HBy A 37 ALA HA 1.0 . 3.89 49 32 A 40 LEU HBy A 40 LEU HDy% 1.0 . 3.78 50 33 A 41 LEU H A 40 LEU HBx 1.0 . 4.00 51 34 A 37 ALA HA A 40 LEU HBx 1.0 . 4.24 52 35 A 40 LEU HDy% A 40 LEU HBx 1.0 . 3.89 53 36 A 43 LYS HGy A 43 LYS HEx 1.0 . 3.56 54 37 A 43 LYS HEx A 43 LYS HGx 1.0 . 3.61 55 38 A 41 LEU HDy% A 43 LYS HEx 1.0 . 4.20 56 39 A 33 LEU H A 32 LEU HBy 1.0 . 4.28 57 40 A 32 LEU HBy A 32 LEU HDy% 1.0 . 3.70 58 41 A 32 LEU HBx A 31 ARG HDx 1.0 . 3.22 59 41 A 31 ARG HDy A 32 LEU HBx 1.0 . 3.22 60 42 A 32 LEU HBy A 32 LEU H 1.0 . 3.88 61 43 A 53 LEU HBy A 53 LEU HDx% 1.0 . 3.41 62 44 A 53 LEU H A 53 LEU HBx 1.0 . 3.65 63 45 A 53 LEU HDx% A 53 LEU HBx 1.0 . 3.19 64 46 A 81 ASP HBy A 82 GLU HA 1.0 . 5.00 65 47 A 81 ASP HBx A 82 GLU H 1.0 . 3.37 66 48 A 21 LEU HBy A 22 ASN H 1.0 . 3.78 67 49 A 21 LEU HBy A 21 LEU H 1.0 . 3.33 68 50 A 21 LEU HBy A 21 LEU HDx% 1.0 . 3.74 69 51 A 21 LEU HBy A 15 PHE HD% 1.0 . 4.83 70 52 A 15 PHE HD% A 21 LEU HBx 1.0 . 4.56 71 53 A 21 LEU HBx A 11 HIS HA 1.0 . 4.33 72 54 A 21 LEU HBx A 21 LEU HDy% 1.0 . 3.71 73 55 A 21 LEU HDx% A 21 LEU HBx 1.0 . 3.71 74 56 A 21 LEU H A 18 ASP HBy 1.0 . 3.62 75 57 A 58 SER HA A 59 ASP HBy 1.0 . 4.88 76 58 A 21 LEU H A 18 ASP HBx 1.0 . 3.79 77 59 A 92 LEU H A 92 LEU HBy 1.0 . 3.81 78 60 A 92 LEU HBy A 92 LEU HDx% 1.0 . 3.97 79 61 A 92 LEU HBx A 92 LEU HDy% 1.0 . 3.86 80 62 A 43 LYS HBy A 47 ASP HBx 1.0 . 3.86 81 63 A 18 ASP HBx A 21 LEU HG 1.0 . 4.64 82 64 A 59 ASP H A 59 ASP HBx 1.0 . 4.00 83 65 A 59 ASP HBx A 68 VAL HGx% 1.0 . 4.48 84 66 A 92 LEU HBy A 95 THR HB 1.0 . 4.84 85 67 A 47 ASP HBy A 48 ALA H 1.0 . 3.41 86 68 A 47 ASP HBx A 48 ALA HA 1.0 . 4.15 87 69 A 65 ASP HA A 65 ASP HBx 1.0 . 2.66 88 69 A 65 ASP HA A 65 ASP HBy 1.0 . 2.66 89 70 A 46 ASP HBy A 47 ASP H 1.0 . 3.56 90 71 A 46 ASP HBy A 46 ASP H 1.0 . 3.32 91 72 A 67 ASP HBx A 68 VAL H 1.0 . 4.47 92 73 A 72 LEU HDy% A 75 ASP HBx 1.0 . 5.06 93 74 A 41 LEU HDy% A 75 ASP HBy 1.0 . 4.39 94 75 A 4 PHE H A 4 PHE HBx 1.0 . 3.79 95 76 A 15 PHE H A 15 PHE HBy 1.0 . 3.50 96 77 A 15 PHE H A 15 PHE HBx 1.0 . 3.30 97 78 A 69 PHE HD% A 85 ILE HB 1.0 . 4.16 98 79 A 60 PHE HE% A 85 ILE HB 1.0 . 3.83 99 80 A 85 ILE HB A 86 ARG HA 1.0 . 4.28 100 81 A 104 ILE H A 104 ILE HB 1.0 . 3.07 101 82 A 66 GLU HA A 69 PHE HBx 1.0 . 3.95 102 82 A 66 GLU HA A 69 PHE HBy 1.0 . 3.95 103 83 A 85 ILE HB A 69 PHE HBx 1.0 . 4.55 104 83 A 85 ILE HB A 69 PHE HBy 1.0 . 4.55 105 84 A 24 LYS HA A 23 PHE HBx 1.0 . 4.30 106 84 A 23 PHE HBy A 24 LYS HA 1.0 . 4.30 107 85 A 24 LYS HBy A 23 PHE HBx 1.0 . 4.25 108 85 A 24 LYS HBy A 23 PHE HBy 1.0 . 4.25 109 86 A 19 ALA HB% A 23 PHE HBx 1.0 . 4.50 110 86 A 23 PHE HBy A 19 ALA HB% 1.0 . 4.50 111 87 A 22 ASN H A 22 ASN HBy 1.0 . 3.20 112 88 A 22 ASN H A 22 ASN HBx 1.0 . 3.19 113 89 A 48 ALA HA A 51 TYR HBy 1.0 . 4.15 114 90 A 51 TYR HBy A 50 ALA HB% 1.0 . 4.27 115 91 A 51 TYR HBx A 52 ALA HB% 1.0 . 4.76 116 92 A 19 ALA HB% A 22 ASN HBx 1.0 . 4.18 117 93 A 98 GLU HA A 101 ILE HB 1.0 . 3.41 118 94 A 30 ASN HBy A 56 VAL HA 1.0 . 4.31 119 95 A 30 ASN HBy A 31 ARG H 1.0 . 3.77 120 96 A 30 ASN HBy A 56 VAL HGy% 1.0 . 4.54 121 97 A 35 GLU H A 35 GLU HGy 1.0 . 3.40 122 98 A 35 GLU HGy A 35 GLU HA 1.0 . 3.43 123 99 A 52 ALA HB% A 35 GLU HGy 1.0 . 3.79 124 100 A 52 ALA HB% A 35 GLU HGx 1.0 . 3.95 125 101 A 56 VAL HA A 30 ASN HBx 1.0 . 4.46 126 102 A 73 ALA HB% A 82 GLU HGx 1.0 . 4.46 127 103 A 73 ALA HB% A 82 GLU HGy 1.0 . 5.12 128 104 A 15 PHE HZ A 100 ILE HB 1.0 . 4.41 129 105 A 100 ILE HB A 101 ILE H 1.0 . 3.07 130 106 A 100 ILE HD1% A 100 ILE HB 1.0 . 3.98 131 107 A 102 SER HBx A 103 GLU HGy 1.0 . 4.28 132 108 A 103 GLU HA A 103 GLU HGx 1.0 . 3.37 133 109 A 103 GLU HGx A 103 GLU H 1.0 . 4.41 134 110 A 98 GLU HA A 98 GLU HGx 1.0 . 2.90 135 111 A 66 GLU HBy A 66 GLU HGx 1.0 . 2.40 136 111 A 66 GLU HBx A 66 GLU HGx 1.0 . 2.40 137 111 A 66 GLU HGy A 66 GLU HBx 1.0 . 2.40 138 111 A 66 GLU HBy A 66 GLU HGy 1.0 . 2.40 139 112 A 12 GLU HA A 12 GLU HGx 1.0 . 3.23 140 112 A 12 GLU HA A 12 GLU HGy 1.0 . 3.23 141 113 A 97 ARG HGx A 98 GLU HGy 1.0 . 4.95 142 114 A 98 GLU HGy A 98 GLU H 1.0 . 3.60 143 115 A 98 GLU HA A 98 GLU HGy 1.0 . 3.42 144 116 A 11 HIS HD2 A 12 GLU HGx 1.0 . 4.72 145 116 A 12 GLU HGy A 11 HIS HD2 1.0 . 4.72 146 117 A 98 GLU HGy A 98 GLU HBx 1.0 . 2.72 147 118 A 98 GLU HGx A 98 GLU H 1.0 . 3.58 148 119 A 77 GLU HGy A 78 GLY H 1.0 . 3.86 149 120 A 77 GLU HGy A 77 GLU HA 1.0 . 3.41 150 121 A 78 GLY H A 77 GLU HGx 1.0 . 3.82 151 122 A 77 GLU HA A 77 GLU HGx 1.0 . 3.26 152 123 A 40 LEU HDy% A 79 LYS HBy 1.0 . 4.87 153 124 A 77 GLU HGx A 78 GLY HAx 1.0 . 4.29 154 125 A 79 LYS H A 79 LYS HBy 1.0 . 3.96 155 126 A 79 LYS HBy A 80 ALA H 1.0 . 4.18 156 127 A 79 LYS HBy A 76 LEU HA 1.0 . 4.04 157 128 A 79 LYS HBy A 76 LEU HDy% 1.0 . 4.80 158 129 A 79 LYS H A 79 LYS HBx 1.0 . 3.97 159 130 A 79 LYS HBx A 40 LEU HDx% 1.0 . 4.64 160 131 A 76 LEU HDx% A 79 LYS HBx 1.0 . 4.57 161 132 A 43 LYS HBy A 44 THR H 1.0 . 4.60 162 133 A 44 THR H A 43 LYS HBx 1.0 . 4.19 163 134 A 43 LYS HBy A 43 LYS H 1.0 . 4.03 164 135 A 43 LYS HBy A 48 ALA HA 1.0 . 4.24 165 136 A 47 ASP HBx A 43 LYS HBx 1.0 . 4.38 166 137 A 48 ALA HA A 43 LYS HBx 1.0 . 4.05 167 138 A 43 LYS HEx A 43 LYS HBx 1.0 . 4.72 168 139 A 38 ALA HA A 43 LYS HBy 1.0 . 4.41 169 140 A 99 GLN HGx A 99 GLN HE2x 1.0 . 4.08 170 141 A 99 GLN HGy A 99 GLN HE2y 1.0 . 3.86 171 142 A 99 GLN HGx A 99 GLN HA 1.0 . 3.48 172 143 A 99 GLN HGx A 99 GLN HE2y 1.0 . 3.79 173 144 A 24 LYS HBx A 24 LYS HEx 1.0 . 4.39 174 144 A 24 LYS HEy A 24 LYS HBx 1.0 . 4.39 175 145 A 86 ARG HA A 89 MET HGx 1.0 . 4.87 176 145 A 86 ARG HA A 89 MET HGy 1.0 . 4.87 177 146 A 83 GLU H A 83 GLU HGx 1.0 . 4.19 178 146 A 83 GLU H A 83 GLU HGy 1.0 . 4.19 179 147 A 24 LYS HBy A 100 ILE HD1% 1.0 . 4.42 180 148 A 24 LYS HBx A 24 LYS H 1.0 . 3.64 181 149 A 24 LYS HBx A 100 ILE HG2% 1.0 . 4.47 182 150 A 100 ILE HD1% A 24 LYS HBx 1.0 . 3.93 183 151 A 89 MET HBy A 89 MET HGx 1.0 . 3.00 184 151 A 89 MET HGy A 89 MET HBy 1.0 . 3.00 185 152 A 33 LEU HDy% A 89 MET HGx 1.0 . 4.34 186 152 A 33 LEU HDy% A 89 MET HGy 1.0 . 4.34 187 153 A 89 MET HBy A 89 MET H 1.0 . 3.89 188 154 A 89 MET HBy A 90 VAL H 1.0 . 4.46 189 155 A 90 VAL H A 89 MET HBx 1.0 . 3.99 190 156 A 89 MET HBx A 33 LEU HDx% 1.0 . 4.53 191 157 A 33 LEU HDy% A 89 MET HBx 1.0 . 5.27 192 158 A 72 LEU H A 71 LYS HBy 1.0 . 3.78 193 159 A 14 LYS H A 14 LYS HBy 1.0 . 3.58 194 160 A 11 HIS HA A 14 LYS HBy 1.0 . 4.22 195 161 A 14 LYS HBy A 14 LYS HEx 1.0 . 4.79 196 161 A 14 LYS HBy A 14 LYS HEy 1.0 . 4.79 197 162 A 15 PHE HD% A 14 LYS HBx 1.0 . 4.50 198 163 A 11 HIS HA A 14 LYS HBx 1.0 . 4.32 199 164 A 14 LYS HBx A 11 HIS HBx 1.0 . 4.52 200 165 A 90 VAL HB A 91 GLU H 1.0 . 3.33 201 166 A 90 VAL HB A 87 ALA HA 1.0 . 3.55 202 167 A 15 PHE HD% A 14 LYS HBy 1.0 . 5.18 203 168 A 91 GLU H A 91 GLU HBx 1.0 . 3.68 204 168 A 91 GLU H A 91 GLU HBy 1.0 . 3.68 205 169 A 68 VAL H A 68 VAL HB 1.0 . 3.37 206 170 A 95 THR HB A 92 LEU HA 1.0 . 3.19 207 171 A 88 LYS HBy A 88 LYS HDx 1.0 . 4.09 208 171 A 88 LYS HBy A 88 LYS HDy 1.0 . 4.09 209 172 A 34 GLY H A 55 VAL HB 1.0 . 4.83 210 173 A 70 ARG H A 70 ARG HBx 1.0 . 3.60 211 174 A 89 MET H A 88 LYS HBy 1.0 . 4.01 212 175 A 88 LYS HBy A 88 LYS H 1.0 . 3.55 213 176 A 88 LYS HBy A 85 ILE HA 1.0 . 4.13 214 177 A 85 ILE HA A 88 LYS HBx 1.0 . 4.11 215 178 A 55 VAL HB A 34 GLY HAx 1.0 . 3.89 216 178 A 55 VAL HB A 34 GLY HAy 1.0 . 3.89 217 179 A 97 ARG H A 97 ARG HBy 1.0 . 3.95 218 180 A 70 ARG HBx A 67 ASP HA 1.0 . 3.42 219 181 A 7 ARG H A 7 ARG HBx 1.0 . 2.67 220 181 A 7 ARG H A 7 ARG HBy 1.0 . 2.67 221 182 A 7 ARG HA A 7 ARG HBx 1.0 . 2.69 222 182 A 7 ARG HBy A 7 ARG HA 1.0 . 2.69 223 183 A 9 ARG HBx A 9 ARG HDx 1.0 . 3.02 224 183 A 9 ARG HBx A 9 ARG HDy 1.0 . 3.02 225 184 A 97 ARG H A 97 ARG HBx 1.0 . 3.83 226 185 A 98 GLU H A 97 ARG HBx 1.0 . 4.50 227 186 A 29 ARG HBx A 30 ASN H 1.0 . 4.09 228 187 A 53 LEU HDy% A 49 ARG HBx 1.0 . 4.55 229 187 A 49 ARG HBy A 53 LEU HDy% 1.0 . 4.55 230 188 A 50 ALA H A 49 ARG HBx 1.0 . 3.28 231 188 A 49 ARG HBy A 50 ALA H 1.0 . 3.28 232 189 A 60 PHE HE% A 86 ARG HBy 1.0 . 4.87 233 190 A 100 ILE HG2% A 24 LYS HDy 1.0 . 4.30 234 191 A 28 ARG HBy A 28 ARG HDx 1.0 . 4.15 235 191 A 28 ARG HDy A 28 ARG HBx 1.0 . 4.15 236 191 A 28 ARG HBy A 28 ARG HDy 1.0 . 4.15 237 191 A 28 ARG HBx A 28 ARG HDx 1.0 . 4.15 238 192 A 100 ILE HD1% A 24 LYS HDy 1.0 . 4.26 239 193 A 24 LYS HDx A 100 ILE HD1% 1.0 . 4.18 240 194 A 80 ALA HB% A 85 ILE HG1y 1.0 . 3.73 241 195 A 12 GLU HA A 12 GLU HBx 1.0 . 2.66 242 195 A 12 GLU HA A 12 GLU HBy 1.0 . 2.66 243 196 A 86 ARG HBy A 87 ALA H 1.0 . 4.28 244 197 A 85 ILE HG2% A 85 ILE HG1x 1.0 . 3.82 245 198 A 11 HIS HD2 A 12 GLU HBx 1.0 . 4.86 246 198 A 11 HIS HD2 A 12 GLU HBy 1.0 . 4.86 247 199 A 86 ARG H A 86 ARG HBy 1.0 . 3.94 248 200 A 82 GLU H A 82 GLU HBy 1.0 . 3.39 249 201 A 82 GLU HGx A 82 GLU HBy 1.0 . 2.53 250 202 A 20 GLU H A 20 GLU HBx 1.0 . 2.96 251 202 A 20 GLU H A 20 GLU HBy 1.0 . 2.96 252 203 A 20 GLU HA A 20 GLU HBx 1.0 . 2.98 253 203 A 20 GLU HBy A 20 GLU HA 1.0 . 2.98 254 204 A 101 ILE H A 101 ILE HG1x 1.0 . 3.60 255 205 A 101 ILE HG1x A 15 PHE HE% 1.0 . 4.23 256 206 A 101 ILE HG1x A 101 ILE HG2% 1.0 . 4.05 257 207 A 17 HIS H A 17 HIS HBy 1.0 . 3.41 258 208 A 17 HIS HBy A 16 ALA HB% 1.0 . 4.83 259 209 A 17 HIS H A 17 HIS HBx 1.0 . 3.42 260 210 A 78 GLY H A 77 GLU HBy 1.0 . 4.52 261 211 A 98 GLU H A 98 GLU HBy 1.0 . 3.33 262 212 A 98 GLU HA A 98 GLU HBx 1.0 . 2.88 263 213 A 66 GLU H A 66 GLU HBx 1.0 . 2.92 264 213 A 66 GLU HBy A 66 GLU H 1.0 . 2.92 265 214 A 17 HIS HBy A 14 LYS HA 1.0 . 3.96 266 215 A 11 HIS HBx A 11 HIS H 1.0 . 2.84 267 216 A 31 ARG H A 31 ARG HBx 1.0 . 3.87 268 216 A 31 ARG H A 31 ARG HBy 1.0 . 3.87 269 217 A 78 GLY H A 77 GLU HBx 1.0 . 4.53 270 218 A 86 ARG HBx A 86 ARG HGx 1.0 . 2.77 271 218 A 86 ARG HBx A 86 ARG HGy 1.0 . 2.77 272 219 A 15 PHE HE% A 101 ILE HG1y 1.0 . 3.79 273 220 A 97 ARG HGx A 97 ARG HBx 1.0 . 2.65 274 221 A 76 LEU HDx% A 79 LYS HDx 1.0 . 4.48 275 222 A 14 LYS HBy A 11 HIS HBx 1.0 . 5.23 276 223 A 71 LYS H A 71 LYS HDx 1.0 . 4.70 277 223 A 71 LYS H A 71 LYS HDy 1.0 . 4.70 278 224 A 86 ARG HA A 86 ARG HGx 1.0 . 3.65 279 224 A 86 ARG HA A 86 ARG HGy 1.0 . 3.65 280 225 A 85 ILE H A 86 ARG HGx 1.0 . 4.88 281 225 A 86 ARG HGy A 85 ILE H 1.0 . 4.88 282 226 A 60 PHE HE% A 86 ARG HGx 1.0 . 4.38 283 226 A 60 PHE HE% A 86 ARG HGy 1.0 . 4.38 284 227 A 41 LEU HDx% A 79 LYS HDx 1.0 . 4.59 285 228 A 70 ARG HA A 71 LYS HDx 1.0 . 4.36 286 228 A 71 LYS HDy A 70 ARG HA 1.0 . 4.36 287 229 A 70 ARG HGx A 71 LYS HDx 1.0 . 2.73 288 229 A 71 LYS HDy A 70 ARG HGx 1.0 . 2.73 289 230 A 71 LYS H A 70 ARG HGx 1.0 . 4.63 290 231 A 70 ARG HA A 70 ARG HGx 1.0 . 3.90 291 232 A 97 ARG HGx A 97 ARG H 1.0 . 3.95 292 233 A 97 ARG HGx A 97 ARG HA 1.0 . 3.87 293 234 A 100 ILE H A 100 ILE HG1y 1.0 . 3.77 294 235 A 85 ILE HA A 85 ILE HG1x 1.0 . 3.08 295 236 A 100 ILE HG1y A 25 ALA HA 1.0 . 3.47 296 237 A 100 ILE HG2% A 100 ILE HG1y 1.0 . 3.78 297 238 A 85 ILE HG1y A 72 LEU HDx% 1.0 . 4.43 298 239 A 98 GLU HBx A 95 THR HA 1.0 . 3.79 299 240 A 95 THR HA A 95 THR HG2% 1.0 . 3.81 300 241 A 85 ILE HA A 36 TRP HH2 1.0 . 3.87 301 242 A 72 LEU H A 72 LEU HDx% 1.0 . 4.26 302 243 A 72 LEU HDx% A 72 LEU HBy 1.0 . 3.08 303 244 A 29 ARG H A 28 ARG HGx 1.0 . 4.65 304 244 A 28 ARG HGy A 29 ARG H 1.0 . 4.65 305 245 A 28 ARG H A 28 ARG HGx 1.0 . 3.65 306 245 A 28 ARG HGy A 28 ARG H 1.0 . 3.65 307 246 A 28 ARG HA A 28 ARG HGx 1.0 . 3.78 308 246 A 28 ARG HGy A 28 ARG HA 1.0 . 3.78 309 247 A 49 ARG HA A 49 ARG HGy 1.0 . 3.60 310 248 A 92 LEU HDy% A 36 TRP HBx 1.0 . 5.35 311 249 A 49 ARG HGx A 49 ARG H 1.0 . 4.29 312 250 A 49 ARG HGx A 49 ARG HA 1.0 . 3.42 313 251 A 9 ARG HDy A 9 ARG HGy 1.0 . 2.85 314 251 A 9 ARG HDx A 9 ARG HGy 1.0 . 2.85 315 251 A 9 ARG HGx A 9 ARG HDx 1.0 . 2.85 316 251 A 9 ARG HDy A 9 ARG HGx 1.0 . 2.85 317 252 A 40 LEU H A 40 LEU HG 1.0 . 3.32 318 253 A 40 LEU HG A 40 LEU HA 1.0 . 3.50 319 254 A 37 ALA HA A 40 LEU HG 1.0 . 4.28 320 255 A 36 TRP HBy A 36 TRP HE3 1.0 . 3.95 321 256 A 36 TRP HBx A 33 LEU HA 1.0 . 4.18 322 257 A 7 ARG H A 7 ARG HGx 1.0 . 3.62 323 258 A 49 ARG HGx A 50 ALA H 1.0 . 5.43 324 259 A 36 TRP HE1 A 88 LYS HDx 1.0 . 4.54 325 259 A 88 LYS HDy A 36 TRP HE1 1.0 . 4.54 326 260 A 33 LEU H A 33 LEU HG 1.0 . 4.28 327 261 A 92 LEU H A 92 LEU HG 1.0 . 3.74 328 262 A 33 LEU H A 33 LEU HDy% 1.0 . 4.26 329 263 A 32 LEU HA A 32 LEU HG 1.0 . 4.21 330 264 A 53 LEU H A 53 LEU HG 1.0 . 3.48 331 265 A 53 LEU HG A 53 LEU HA 1.0 . 3.58 332 266 A 33 LEU HDy% A 36 TRP HE3 1.0 . 4.85 333 267 A 30 ASN HA A 33 LEU HDy% 1.0 . 3.77 334 268 A 33 LEU HDy% A 33 LEU HA 1.0 . 4.47 335 269 A 33 LEU HDy% A 89 MET HBy 1.0 . 3.62 336 270 A 33 LEU HBy A 33 LEU HDy% 1.0 . 3.44 337 271 A 40 LEU HDy% A 76 LEU HG 1.0 . 5.50 338 272 A 80 ALA H A 76 LEU HDy% 1.0 . 5.01 339 273 A 76 LEU HA A 76 LEU HDy% 1.0 . 4.18 340 274 A 76 LEU HDy% A 76 LEU HBy 1.0 . 3.71 341 275 A 37 ALA HA A 76 LEU HDy% 1.0 . 4.09 342 276 A 24 LYS HA A 24 LYS HGy 1.0 . 4.06 343 277 A 76 LEU HDy% A 72 LEU HA 1.0 . 4.86 344 278 A 40 LEU HDy% A 76 LEU HDy% 1.0 . 4.22 345 279 A 76 LEU HDy% A 37 ALA HB% 1.0 . 3.15 346 280 A 24 LYS H A 24 LYS HGy 1.0 . 3.72 347 281 A 24 LYS HGy A 24 LYS HEx 1.0 . 3.86 348 281 A 24 LYS HEy A 24 LYS HGy 1.0 . 3.86 349 282 A 24 LYS HGx A 24 LYS H 1.0 . 3.96 350 283 A 41 LEU HG A 42 GLY H 1.0 . 4.89 351 284 A 104 ILE HA A 104 ILE HG1y 1.0 . 3.68 352 285 A 103 GLU H A 104 ILE HA 1.0 . 4.28 353 286 A 41 LEU H A 41 LEU HG 1.0 . 3.59 354 287 A 41 LEU HA A 41 LEU HG 1.0 . 3.79 355 288 A 58 SER H A 58 SER HBx 1.0 . 3.88 356 289 A 59 ASP H A 58 SER HBx 1.0 . 4.69 357 290 A 38 ALA HA A 43 LYS HGy 1.0 . 4.54 358 291 A 101 ILE H A 102 SER HBy 1.0 . 5.07 359 292 A 101 ILE HB A 102 SER HBy 1.0 . 4.66 360 293 A 102 SER HBy A 102 SER H 1.0 . 3.35 361 294 A 101 ILE HG1x A 101 ILE HA 1.0 . 3.54 362 295 A 101 ILE HG2% A 101 ILE HA 1.0 . 3.09 363 296 A 104 ILE H A 101 ILE HA 1.0 . 4.65 364 297 A 101 ILE HG1y A 101 ILE HA 1.0 . 3.46 365 298 A 43 LYS HGy A 43 LYS HA 1.0 . 3.83 366 299 A 32 LEU HDy% A 28 ARG HDx 1.0 . 4.78 367 299 A 32 LEU HDy% A 28 ARG HDy 1.0 . 4.78 368 300 A 40 LEU HDy% A 36 TRP HE1 1.0 . 3.77 369 301 A 101 ILE HG2% A 102 SER HBy 1.0 . 5.00 370 302 A 43 LYS HGx A 43 LYS HA 1.0 . 4.16 371 303 A 43 LYS HGx A 47 ASP HBx 1.0 . 4.87 372 304 A 33 LEU H A 32 LEU HDy% 1.0 . 5.05 373 305 A 32 LEU HDy% A 95 THR HB 1.0 . 4.34 374 306 A 32 LEU HDy% A 99 GLN HE2y 1.0 . 4.65 375 307 A 32 LEU HDy% A 99 GLN HE2x 1.0 . 4.26 376 308 A 32 LEU HDy% A 96 ALA HA 1.0 . 3.88 377 309 A 33 LEU H A 33 LEU HDx% 1.0 . 4.35 378 310 A 33 LEU HDx% A 36 TRP HE3 1.0 . 4.16 379 311 A 33 LEU HDx% A 36 TRP HZ3 1.0 . 4.79 380 312 A 33 LEU HDx% A 33 LEU HA 1.0 . 3.33 381 313 A 33 LEU HDx% A 89 MET HA 1.0 . 3.40 382 314 A 33 LEU HDx% A 89 MET HGx 1.0 . 4.04 383 314 A 89 MET HGy A 33 LEU HDx% 1.0 . 4.04 384 315 A 89 MET HBy A 33 LEU HDx% 1.0 . 3.60 385 316 A 33 LEU HBy A 33 LEU HDx% 1.0 . 3.61 386 317 A 33 LEU HBx A 33 LEU HDx% 1.0 . 3.19 387 318 A 40 LEU HDy% A 36 TRP HZ2 1.0 . 3.48 388 319 A 40 LEU HDy% A 40 LEU HA 1.0 . 3.97 389 320 A 37 ALA HA A 40 LEU HDy% 1.0 . 3.58 390 321 A 54 THR HA A 54 THR HG2% 1.0 . 3.39 391 322 A 89 MET H A 33 LEU HDx% 1.0 . 4.25 392 323 A 33 LEU HDx% A 88 LYS HGy 1.0 . 4.27 393 324 A 33 LEU HDx% A 88 LYS HGx 1.0 . 4.40 394 325 A 92 LEU H A 92 LEU HDx% 1.0 . 4.40 395 326 A 92 LEU HDx% A 89 MET HA 1.0 . 4.24 396 327 A 92 LEU HDx% A 92 LEU HBx 1.0 . 3.65 397 328 A 92 LEU HDx% A 33 LEU HA 1.0 . 3.28 398 329 A 92 LEU HDx% A 36 TRP HBx 1.0 . 4.25 399 330 A 92 LEU HDx% A 88 LYS HGx 1.0 . 4.14 400 331 A 53 LEU HDy% A 50 ALA H 1.0 . 4.63 401 332 A 22 ASN H A 21 LEU HDy% 1.0 . 4.94 402 333 A 21 LEU H A 21 LEU HDy% 1.0 . 4.08 403 334 A 15 PHE HD% A 21 LEU HDy% 1.0 . 5.36 404 335 A 21 LEU HDy% A 21 LEU HA 1.0 . 3.40 405 336 A 92 LEU HDx% A 91 GLU H 1.0 . 4.72 406 337 A 92 LEU HDx% A 90 VAL H 1.0 . 5.32 407 338 A 80 ALA H A 79 LYS HGx 1.0 . 4.45 408 338 A 79 LYS HGy A 80 ALA H 1.0 . 4.45 409 339 A 79 LYS HA A 79 LYS HGx 1.0 . 3.45 410 339 A 79 LYS HGy A 79 LYS HA 1.0 . 3.45 411 340 A 76 LEU HDx% A 79 LYS HGx 1.0 . 4.15 412 340 A 79 LYS HGy A 76 LEU HDx% 1.0 . 4.15 413 341 A 53 LEU H A 53 LEU HDy% 1.0 . 4.23 414 342 A 53 LEU HDy% A 50 ALA HA 1.0 . 3.26 415 343 A 49 ARG HDy A 53 LEU HDy% 1.0 . 4.21 416 344 A 53 LEU HBx A 53 LEU HDy% 1.0 . 3.07 417 345 A 14 LYS HA A 14 LYS HGy 1.0 . 3.83 418 346 A 14 LYS HGy A 14 LYS HEx 1.0 . 3.97 419 346 A 14 LYS HEy A 14 LYS HGy 1.0 . 3.97 420 347 A 14 LYS H A 14 LYS HGy 1.0 . 4.19 421 348 A 78 GLY HAx A 79 LYS HGx 1.0 . 4.68 422 348 A 79 LYS HGy A 78 GLY HAx 1.0 . 4.68 423 349 A 78 GLY H A 79 LYS HGx 1.0 . 4.80 424 349 A 79 LYS HGy A 78 GLY H 1.0 . 4.80 425 350 A 14 LYS H A 14 LYS HGx 1.0 . 4.08 426 351 A 14 LYS HA A 14 LYS HGx 1.0 . 3.93 427 352 A 11 HIS HA A 21 LEU HDy% 1.0 . 4.79 428 353 A 41 LEU H A 41 LEU HDy% 1.0 . 4.04 429 354 A 41 LEU HA A 41 LEU HDy% 1.0 . 3.95 430 355 A 41 LEU HDy% A 75 ASP HBx 1.0 . 3.52 431 356 A 69 PHE HA A 73 ALA H 1.0 . 4.07 432 357 A 72 LEU HBy A 69 PHE HA 1.0 . 3.87 433 358 A 72 LEU HDx% A 69 PHE HA 1.0 . 4.01 434 359 A 72 LEU H A 69 PHE HA 1.0 . 4.52 435 360 A 73 ALA HB% A 69 PHE HA 1.0 . 4.42 436 361 A 21 LEU HDx% A 15 PHE HD% 1.0 . 4.03 437 362 A 69 PHE HD% A 69 PHE HA 1.0 . 3.45 438 363 A 103 GLU H A 100 ILE HA 1.0 . 3.89 439 364 A 100 ILE HA A 103 GLU HBx 1.0 . 3.84 440 365 A 22 ASN H A 21 LEU HDx% 1.0 . 4.93 441 366 A 21 LEU H A 21 LEU HDx% 1.0 . 4.19 442 367 A 57 THR HA A 57 THR HB 1.0 . 2.65 443 368 A 51 TYR HA A 51 TYR HD% 1.0 . 3.50 444 369 A 54 THR HG2% A 51 TYR HA 1.0 . 3.71 445 370 A 72 LEU H A 72 LEU HDy% 1.0 . 4.11 446 371 A 72 LEU HDy% A 72 LEU HA 1.0 . 3.04 447 372 A 37 ALA HA A 72 LEU HDy% 1.0 . 4.85 448 373 A 72 LEU HDy% A 72 LEU HBy 1.0 . 3.19 449 374 A 72 LEU HDy% A 76 LEU HDy% 1.0 . 4.05 450 375 A 72 LEU HDy% A 76 LEU H 1.0 . 5.02 451 376 A 37 ALA HA A 40 LEU HDx% 1.0 . 4.57 452 377 A 40 LEU HDx% A 36 TRP HE1 1.0 . 4.04 453 378 A 41 LEU H A 40 LEU HDx% 1.0 . 4.49 454 379 A 40 LEU HDx% A 40 LEU H 1.0 . 3.60 455 380 A 40 LEU HDx% A 40 LEU HA 1.0 . 2.81 456 381 A 40 LEU HDx% A 36 TRP HA 1.0 . 4.88 457 382 A 23 PHE HA A 25 ALA H 1.0 . 4.88 458 383 A 53 LEU HDx% A 53 LEU H 1.0 . 3.92 459 384 A 23 PHE HA A 26 GLU HGx 1.0 . 4.58 460 384 A 23 PHE HA A 26 GLU HGy 1.0 . 4.58 461 385 A 82 GLU HA A 82 GLU HGy 1.0 . 3.91 462 386 A 31 ARG H A 56 VAL HGy% 1.0 . 4.01 463 387 A 23 PHE HA A 23 PHE HDx 1.0 . 3.75 464 388 A 83 GLU HA A 83 GLU HGx 1.0 . 3.62 465 388 A 83 GLU HGy A 83 GLU HA 1.0 . 3.62 466 389 A 60 PHE HE% A 86 ARG HA 1.0 . 3.55 467 390 A 60 PHE HA A 60 PHE HD% 1.0 . 3.58 468 391 A 92 LEU H A 89 MET HA 1.0 . 4.57 469 392 A 68 VAL HGx% A 69 PHE H 1.0 . 4.12 470 393 A 59 ASP H A 68 VAL HGx% 1.0 . 4.26 471 394 A 68 VAL HGx% A 68 VAL H 1.0 . 3.20 472 395 A 68 VAL HGx% A 68 VAL HA 1.0 . 3.28 473 396 A 56 VAL HGy% A 56 VAL H 1.0 . 4.14 474 397 A 55 VAL HA A 55 VAL HGx% 1.0 . 3.23 475 398 A 56 VAL HGy% A 30 ASN HBx 1.0 . 3.86 476 399 A 41 LEU H A 76 LEU HDx% 1.0 . 4.36 477 400 A 76 LEU HDx% A 36 TRP HH2 1.0 . 5.05 478 401 A 76 LEU HDx% A 76 LEU HA 1.0 . 2.99 479 402 A 76 LEU HDx% A 37 ALA HA 1.0 . 3.42 480 403 A 76 LEU HDx% A 76 LEU HBx 1.0 . 2.69 481 404 A 76 LEU HDx% A 41 LEU HG 1.0 . 3.62 482 405 A 76 LEU HDx% A 40 LEU HDy% 1.0 . 3.34 483 406 A 79 LYS H A 76 LEU HDx% 1.0 . 5.04 484 407 A 89 MET HA A 89 MET HGx 1.0 . 3.89 485 407 A 89 MET HGy A 89 MET HA 1.0 . 3.89 486 408 A 33 LEU HDy% A 89 MET HA 1.0 . 3.70 487 409 A 91 GLU H A 90 VAL HGy% 1.0 . 5.14 488 410 A 90 VAL H A 90 VAL HGy% 1.0 . 2.98 489 411 A 87 ALA HA A 90 VAL HGy% 1.0 . 3.69 490 412 A 90 VAL HGy% A 90 VAL HA 1.0 . 2.91 491 413 A 68 VAL HGx% A 67 ASP HBx 1.0 . 4.60 492 414 A 34 GLY H A 55 VAL HGx% 1.0 . 4.04 493 415 A 34 GLY H A 55 VAL HGy% 1.0 . 4.20 494 416 A 55 VAL HGy% A 55 VAL H 1.0 . 3.42 495 417 A 55 VAL HA A 55 VAL HGy% 1.0 . 3.18 496 418 A 55 VAL HGy% A 54 THR H 1.0 . 4.95 497 419 A 76 LEU HDx% A 76 LEU HBy 1.0 . 4.11 498 420 A 36 TRP HA A 36 TRP HD1 1.0 . 3.68 499 421 A 86 ARG HA A 85 ILE HG2% 1.0 . 4.47 500 422 A 99 GLN HGx A 95 THR HG2% 1.0 . 3.99 501 423 A 98 GLU HBx A 95 THR HG2% 1.0 . 4.40 502 424 A 95 THR HG2% A 32 LEU HG 1.0 . 4.81 503 425 A 41 LEU H A 41 LEU HDx% 1.0 . 3.82 504 426 A 41 LEU HDx% A 76 LEU HA 1.0 . 3.69 505 427 A 41 LEU HA A 41 LEU HDx% 1.0 . 2.82 506 428 A 41 LEU HDx% A 75 ASP HBx 1.0 . 4.34 507 429 A 86 ARG HA A 86 ARG HDx 1.0 . 3.78 508 429 A 86 ARG HDy A 86 ARG HA 1.0 . 3.78 509 430 A 95 THR HG2% A 96 ALA H 1.0 . 3.95 510 431 A 95 THR HG2% A 95 THR H 1.0 . 3.81 511 432 A 99 GLN HE2y A 95 THR HG2% 1.0 . 3.63 512 433 A 95 THR HG2% A 96 ALA HA 1.0 . 4.81 513 434 A 99 GLN HE2x A 95 THR HG2% 1.0 . 3.79 514 435 A 99 GLN HGy A 95 THR HG2% 1.0 . 4.10 515 436 A 32 LEU HDy% A 95 THR HG2% 1.0 . 3.09 516 437 A 92 LEU HDy% A 95 THR HB 1.0 . 3.40 517 438 A 92 LEU HDy% A 95 THR H 1.0 . 4.75 518 439 A 92 LEU HDx% A 88 LYS HGy 1.0 . 4.87 519 440 A 101 ILE HG2% A 102 SER HA 1.0 . 3.95 520 441 A 29 ARG HA A 29 ARG HGy 1.0 . 4.12 521 442 A 80 ALA HB% A 81 ASP H 1.0 . 3.57 522 443 A 80 ALA H A 80 ALA HB% 1.0 . 3.45 523 444 A 80 ALA HB% A 36 TRP HZ2 1.0 . 3.98 524 445 A 80 ALA HB% A 36 TRP HH2 1.0 . 3.63 525 446 A 80 ALA HB% A 84 THR HB 1.0 . 3.73 526 447 A 85 ILE HA A 80 ALA HB% 1.0 . 4.40 527 448 A 80 ALA HB% A 85 ILE HG1x 1.0 . 3.68 528 449 A 76 LEU HDy% A 80 ALA HB% 1.0 . 3.39 529 450 A 80 ALA HB% A 76 LEU HBy 1.0 . 4.46 530 451 A 32 LEU HDx% A 28 ARG HDx 1.0 . 4.98 531 451 A 28 ARG HDy A 32 LEU HDx% 1.0 . 4.98 532 452 A 32 LEU H A 32 LEU HDx% 1.0 . 3.71 533 453 A 44 THR HA A 45 GLY H 1.0 . 2.88 534 454 A 54 THR HG2% A 54 THR H 1.0 . 3.20 535 455 A 53 LEU HBy A 54 THR HG2% 1.0 . 4.13 536 456 A 44 THR HA A 48 ALA H 1.0 . 3.73 537 457 A 44 THR HA A 44 THR HB 1.0 . 2.99 538 458 A 24 LYS HA A 25 ALA H 1.0 . 3.50 539 459 A 24 LYS HA A 27 ALA H 1.0 . 4.85 540 460 A 54 THR HG2% A 51 TYR HD% 1.0 . 4.71 541 461 A 54 THR HG2% A 55 VAL H 1.0 . 4.19 542 462 A 31 ARG H A 32 LEU HDx% 1.0 . 3.76 543 463 A 15 PHE HD% A 15 PHE HA 1.0 . 3.31 544 464 A 58 SER H A 57 THR HG2% 1.0 . 4.90 545 465 A 57 THR HG2% A 30 ASN HD2y 1.0 . 3.70 546 466 A 56 VAL H A 57 THR HG2% 1.0 . 4.88 547 467 A 44 THR H A 44 THR HG2% 1.0 . 3.33 548 468 A 44 THR HA A 44 THR HG2% 1.0 . 2.99 549 469 A 68 VAL H A 68 VAL HGy% 1.0 . 4.19 550 470 A 68 VAL HA A 68 VAL HGy% 1.0 . 3.45 551 471 A 49 ARG HDy A 49 ARG HA 1.0 . 4.19 552 472 A 49 ARG HA A 49 ARG HBx 1.0 . 2.92 553 472 A 49 ARG HBy A 49 ARG HA 1.0 . 2.92 554 473 A 52 ALA HB% A 49 ARG HA 1.0 . 3.30 555 474 A 91 GLU H A 90 VAL HGx% 1.0 . 3.72 556 475 A 90 VAL HA A 90 VAL HGx% 1.0 . 3.17 557 476 A 85 ILE H A 84 THR HG2% 1.0 . 3.50 558 477 A 36 TRP HZ2 A 84 THR HG2% 1.0 . 3.31 559 478 A 36 TRP HH2 A 84 THR HG2% 1.0 . 3.66 560 479 A 84 THR HG2% A 84 THR HA 1.0 . 3.05 561 480 A 85 ILE HA A 84 THR HG2% 1.0 . 4.28 562 481 A 85 ILE HG1y A 84 THR HG2% 1.0 . 4.44 563 482 A 66 GLU HA A 66 GLU HGx 1.0 . 3.72 564 482 A 66 GLU HA A 66 GLU HGy 1.0 . 3.72 565 483 A 66 GLU HA A 66 GLU HBx 1.0 . 2.96 566 483 A 66 GLU HA A 66 GLU HBy 1.0 . 2.96 567 484 A 66 GLU HA A 69 PHE H 1.0 . 4.31 568 485 A 78 GLY H A 77 GLU HA 1.0 . 2.69 569 486 A 20 GLU HA A 23 PHE HBx 1.0 . 3.41 570 486 A 23 PHE HBy A 20 GLU HA 1.0 . 3.41 571 487 A 99 GLN HGy A 99 GLN HA 1.0 . 3.55 572 488 A 79 LYS H A 77 GLU HA 1.0 . 4.27 573 489 A 56 VAL HA A 56 VAL HGx% 1.0 . 3.12 574 490 A 30 ASN HBx A 56 VAL HGx% 1.0 . 4.83 575 491 A 32 LEU HBy A 32 LEU HA 1.0 . 2.57 576 492 A 17 HIS HBx A 14 LYS HA 1.0 . 3.78 577 493 A 24 LYS HGy A 21 LEU HA 1.0 . 3.93 578 494 A 37 ALA HB% A 37 ALA H 1.0 . 3.13 579 495 A 36 TRP HE3 A 37 ALA HB% 1.0 . 4.04 580 496 A 37 ALA HB% A 51 TYR HE% 1.0 . 3.21 581 497 A 76 LEU HDx% A 37 ALA HB% 1.0 . 3.36 582 498 A 41 LEU HDy% A 37 ALA HB% 1.0 . 4.11 583 499 A 37 ALA HB% A 38 ALA H 1.0 . 3.56 584 500 A 37 ALA HB% A 51 TYR HD% 1.0 . 3.97 585 501 A 37 ALA HB% A 34 GLY HAx 1.0 . 3.72 586 501 A 34 GLY HAy A 37 ALA HB% 1.0 . 3.72 587 502 A 72 LEU HDy% A 37 ALA HB% 1.0 . 3.33 588 503 A 36 TRP HE3 A 33 LEU HA 1.0 . 4.48 589 504 A 7 ARG HA A 8 GLU H 1.0 . 2.77 590 505 A 75 ASP HBx A 72 LEU HA 1.0 . 4.00 591 506 A 36 TRP HBy A 37 ALA HB% 1.0 . 4.21 592 507 A 32 LEU HBx A 32 LEU HA 1.0 . 2.90 593 508 A 72 LEU HA A 75 ASP H 1.0 . 4.42 594 509 A 75 ASP HBy A 72 LEU HA 1.0 . 3.61 595 510 A 29 ARG H A 96 ALA HB% 1.0 . 3.57 596 511 A 97 ARG H A 96 ALA HB% 1.0 . 3.48 597 512 A 29 ARG HA A 96 ALA HB% 1.0 . 3.48 598 513 A 32 LEU HDy% A 96 ALA HB% 1.0 . 3.63 599 514 A 36 TRP HBy A 33 LEU HA 1.0 . 3.78 600 515 A 86 ARG H A 85 ILE HG2% 1.0 . 3.81 601 516 A 85 ILE HG2% A 85 ILE H 1.0 . 3.79 602 517 A 69 PHE HD% A 85 ILE HG2% 1.0 . 3.43 603 518 A 85 ILE HG2% A 36 TRP HZ3 1.0 . 4.37 604 519 A 85 ILE HG2% A 69 PHE HA 1.0 . 3.49 605 520 A 85 ILE HA A 85 ILE HG2% 1.0 . 3.26 606 521 A 85 ILE HG2% A 89 MET HGx 1.0 . 4.08 607 521 A 89 MET HGy A 85 ILE HG2% 1.0 . 4.08 608 522 A 85 ILE HG2% A 85 ILE HD1% 1.0 . 3.42 609 523 A 46 ASP HA A 49 ARG H 1.0 . 3.70 610 524 A 100 ILE HG2% A 25 ALA H 1.0 . 4.76 611 525 A 46 ASP HA A 49 ARG HBx 1.0 . 3.02 612 525 A 46 ASP HA A 49 ARG HBy 1.0 . 3.02 613 526 A 46 ASP HA A 49 ARG HA 1.0 . 5.22 614 527 A 46 ASP HA A 49 ARG HGy 1.0 . 4.36 615 528 A 101 ILE H A 100 ILE HG2% 1.0 . 3.66 616 529 A 15 PHE HZ A 100 ILE HG2% 1.0 . 3.73 617 530 A 100 ILE HG2% A 24 LYS HEx 1.0 . 4.55 618 530 A 24 LYS HEy A 100 ILE HG2% 1.0 . 4.55 619 531 A 100 ILE HD1% A 100 ILE HG2% 1.0 . 3.14 620 532 A 100 ILE HG2% A 100 ILE HA 1.0 . 3.25 621 533 A 67 ASP HA A 70 ARG HBy 1.0 . 3.69 622 534 A 47 ASP HBx A 47 ASP HA 1.0 . 2.84 623 535 A 16 ALA HB% A 16 ALA H 1.0 . 2.75 624 536 A 15 PHE HBy A 16 ALA HB% 1.0 . 4.18 625 537 A 28 ARG HA A 28 ARG HDx 1.0 . 3.64 626 537 A 28 ARG HDy A 28 ARG HA 1.0 . 3.64 627 538 A 28 ARG HA A 28 ARG HBx 1.0 . 3.01 628 538 A 28 ARG HBy A 28 ARG HA 1.0 . 3.01 629 539 A 56 VAL HA A 56 VAL HGy% 1.0 . 3.11 630 540 A 38 ALA HB% A 38 ALA H 1.0 . 3.01 631 541 A 38 ALA HB% A 39 GLY H 1.0 . 3.35 632 542 A 38 ALA HB% A 51 TYR HD% 1.0 . 3.25 633 543 A 38 ALA HB% A 48 ALA HA 1.0 . 3.78 634 544 A 38 ALA HB% A 51 TYR HBx 1.0 . 3.76 635 545 A 74 ALA H A 74 ALA HB% 1.0 . 2.77 636 546 A 19 ALA HB% A 19 ALA H 1.0 . 2.94 637 547 A 15 PHE HBx A 16 ALA HB% 1.0 . 5.06 638 548 A 11 HIS HA A 11 HIS H 1.0 . 2.93 639 549 A 41 LEU HDx% A 75 ASP HA 1.0 . 4.96 640 550 A 103 GLU HGy A 103 GLU HA 1.0 . 3.36 641 551 A 89 MET H A 88 LYS HA 1.0 . 3.54 642 552 A 88 LYS HA A 88 LYS HDx 1.0 . 3.18 643 552 A 88 LYS HDy A 88 LYS HA 1.0 . 3.18 644 553 A 88 LYS HGy A 88 LYS HA 1.0 . 4.11 645 554 A 88 LYS HGx A 88 LYS HA 1.0 . 4.12 646 555 A 15 PHE HZ A 25 ALA HB% 1.0 . 3.41 647 556 A 11 HIS HA A 11 HIS HBx 1.0 . 2.82 648 557 A 25 ALA H A 25 ALA HB% 1.0 . 3.14 649 558 A 25 ALA HB% A 22 ASN HA 1.0 . 3.42 650 559 A 100 ILE HG2% A 25 ALA HB% 1.0 . 4.13 651 560 A 100 ILE HD1% A 25 ALA HB% 1.0 . 4.38 652 561 A 50 ALA HB% A 50 ALA H 1.0 . 3.00 653 562 A 87 ALA HB% A 86 ARG HGx 1.0 . 3.56 654 562 A 86 ARG HGy A 87 ALA HB% 1.0 . 3.56 655 563 A 23 PHE HDx A 27 ALA HB% 1.0 . 3.97 656 564 A 104 ILE H A 104 ILE HG2% 1.0 . 3.73 657 565 A 104 ILE HA A 104 ILE HG2% 1.0 . 3.14 658 566 A 95 THR H A 94 ALA HB% 1.0 . 3.33 659 567 A 94 ALA HB% A 94 ALA H 1.0 . 2.91 660 568 A 52 ALA HB% A 53 LEU HDy% 1.0 . 3.94 661 569 A 87 ALA H A 87 ALA HB% 1.0 . 2.83 662 570 A 27 ALA H A 27 ALA HB% 1.0 . 2.98 663 571 A 27 ALA HB% A 26 GLU HGx 1.0 . 4.90 664 571 A 26 GLU HGy A 27 ALA HB% 1.0 . 4.90 665 572 A 55 VAL H A 52 ALA HA 1.0 . 4.31 666 573 A 51 TYR HD% A 52 ALA HA 1.0 . 3.96 667 574 A 52 ALA HB% A 35 GLU H 1.0 . 3.68 668 575 A 52 ALA HB% A 52 ALA H 1.0 . 3.12 669 576 A 101 ILE HG2% A 102 SER H 1.0 . 3.93 670 577 A 52 ALA HA A 34 GLY HAx 1.0 . 3.08 671 577 A 34 GLY HAy A 52 ALA HA 1.0 . 3.08 672 578 A 55 VAL HGy% A 52 ALA HA 1.0 . 4.02 673 579 A 47 ASP HBx A 48 ALA HB% 1.0 . 4.24 674 580 A 44 THR H A 48 ALA HB% 1.0 . 3.79 675 581 A 49 ARG H A 48 ALA HB% 1.0 . 3.33 676 582 A 48 ALA H A 48 ALA HB% 1.0 . 3.03 677 583 A 44 THR HA A 48 ALA HB% 1.0 . 3.26 678 584 A 49 ARG HA A 48 ALA HB% 1.0 . 3.81 679 585 A 38 ALA HB% A 48 ALA HB% 1.0 . 3.49 680 586 A 96 ALA HA A 99 GLN HBx 1.0 . 3.72 681 587 A 73 ALA HB% A 73 ALA H 1.0 . 3.03 682 588 A 73 ALA HB% A 74 ALA H 1.0 . 3.21 683 589 A 73 ALA HB% A 74 ALA HA 1.0 . 4.76 684 590 A 99 GLN HGy A 96 ALA HA 1.0 . 4.46 685 591 A 38 ALA HA A 43 LYS H 1.0 . 4.23 686 592 A 41 LEU H A 38 ALA HA 1.0 . 3.86 687 593 A 38 ALA HA A 51 TYR HD% 1.0 . 4.13 688 594 A 41 LEU HDy% A 38 ALA HA 1.0 . 3.72 689 595 A 72 LEU H A 73 ALA HB% 1.0 . 5.20 690 596 A 87 ALA HA A 86 ARG HGx 1.0 . 3.64 691 596 A 87 ALA HA A 86 ARG HGy 1.0 . 3.64 692 597 A 25 ALA HA A 27 ALA H 1.0 . 3.85 693 598 A 25 ALA HA A 28 ARG HGx 1.0 . 3.63 694 598 A 25 ALA HA A 28 ARG HGy 1.0 . 3.63 695 599 A 38 ALA HA A 51 TYR HE% 1.0 . 4.37 696 600 A 22 ASN HBy A 19 ALA HA 1.0 . 3.46 697 601 A 22 ASN HBx A 19 ALA HA 1.0 . 3.53 698 602 A 53 LEU HG A 50 ALA HA 1.0 . 3.62 699 603 A 48 ALA HA A 51 TYR H 1.0 . 3.91 700 604 A 48 ALA HA A 51 TYR HBx 1.0 . 3.61 701 605 A 19 ALA H A 18 ASP HA 1.0 . 3.08 702 606 A 73 ALA HA A 76 LEU H 1.0 . 3.92 703 607 A 73 ALA HA A 76 LEU HBy 1.0 . 4.11 704 608 A 73 ALA HA A 76 LEU HBx 1.0 . 4.59 705 609 A 37 ALA HA A 40 LEU H 1.0 . 3.85 706 610 A 41 LEU H A 37 ALA HA 1.0 . 4.66 707 611 A 89 MET H A 89 MET HE% 1.0 . 4.30 708 612 A 89 MET HE% A 69 PHE HBx 1.0 . 3.85 709 612 A 69 PHE HBy A 89 MET HE% 1.0 . 3.85 710 613 A 68 VAL HGy% A 89 MET HE% 1.0 . 3.13 711 614 A 68 VAL HGx% A 59 ASP HA 1.0 . 4.01 712 615 A 11 HIS H A 10 ALA HA 1.0 . 3.12 713 616 A 11 HIS HD2 A 10 ALA HA 1.0 . 4.21 714 617 A 104 ILE H A 104 ILE HD1% 1.0 . 4.06 715 618 A 101 ILE HA A 104 ILE HD1% 1.0 . 3.38 716 619 A 104 ILE HB A 104 ILE HD1% 1.0 . 3.27 717 620 A 60 PHE HE% A 85 ILE HD1% 1.0 . 4.91 718 621 A 85 ILE H A 85 ILE HD1% 1.0 . 3.68 719 622 A 82 GLU HA A 85 ILE HD1% 1.0 . 3.56 720 623 A 73 ALA HA A 85 ILE HD1% 1.0 . 3.00 721 624 A 85 ILE HB A 85 ILE HD1% 1.0 . 3.10 722 625 A 73 ALA H A 85 ILE HD1% 1.0 . 3.89 723 626 A 36 TRP HH2 A 85 ILE HD1% 1.0 . 4.21 724 627 A 81 ASP H A 80 ALA HA 1.0 . 2.79 725 628 A 101 ILE HG2% A 101 ILE HD1% 1.0 . 3.12 726 629 A 101 ILE H A 101 ILE HD1% 1.0 . 3.89 727 630 A 15 PHE HE% A 101 ILE HD1% 1.0 . 3.69 728 631 A 102 SER H A 101 ILE HD1% 1.0 . 5.43 729 632 A 98 GLU HA A 101 ILE HD1% 1.0 . 3.79 730 633 A 15 PHE HBx A 101 ILE HD1% 1.0 . 4.96 731 634 A 101 ILE HB A 101 ILE HD1% 1.0 . 3.66 732 635 A 100 ILE HD1% A 28 ARG HDx 1.0 . 4.99 733 635 A 100 ILE HD1% A 28 ARG HDy 1.0 . 4.99 734 636 A 100 ILE HD1% A 25 ALA H 1.0 . 4.37 735 637 A 100 ILE HD1% A 100 ILE H 1.0 . 3.85 736 638 A 100 ILE HD1% A 15 PHE HZ 1.0 . 4.59 737 639 A 100 ILE HD1% A 25 ALA HA 1.0 . 3.40 738 640 A 100 ILE HD1% A 100 ILE HA 1.0 . 3.00 739 641 A 100 ILE HD1% A 28 ARG HGx 1.0 . 3.35 740 641 A 100 ILE HD1% A 28 ARG HGy 1.0 . 3.35 741 642 A 36 TRP HE1 A 36 TRP HA 1.0 . 5.18 742 643 A 40 LEU HG A 36 TRP HE1 1.0 . 5.25 743 644 A 36 TRP HE1 A 88 LYS HGx 1.0 . 5.36 744 645 A 48 ALA H A 46 ASP H 1.0 . 4.74 745 646 A 46 ASP H A 49 ARG H 1.0 . 5.01 746 647 A 46 ASP H A 45 GLY HAy 1.0 . 2.89 747 648 A 45 GLY HAx A 46 ASP H 1.0 . 3.17 748 649 A 46 ASP H A 46 ASP HBx 1.0 . 3.09 749 650 A 18 ASP HBy A 19 ALA H 1.0 . 4.30 750 651 A 18 ASP HBx A 19 ALA H 1.0 . 4.25 751 652 A 40 LEU H A 39 GLY H 1.0 . 3.03 752 653 A 104 ILE H A 104 ILE HG1y 1.0 . 3.44 753 654 A 40 LEU H A 38 ALA H 1.0 . 4.94 754 655 A 40 LEU HBx A 40 LEU H 1.0 . 3.65 755 656 A 40 LEU HBy A 40 LEU H 1.0 . 3.24 756 657 A 40 LEU HDy% A 40 LEU H 1.0 . 4.46 757 658 A 35 GLU H A 36 TRP H 1.0 . 3.69 758 659 A 36 TRP HE3 A 36 TRP H 1.0 . 4.47 759 660 A 36 TRP HBy A 36 TRP H 1.0 . 3.27 760 661 A 36 TRP HBx A 36 TRP H 1.0 . 3.34 761 662 A 35 GLU HGy A 36 TRP H 1.0 . 4.76 762 663 A 36 TRP H A 35 GLU HBx 1.0 . 3.55 763 664 A 37 ALA HB% A 36 TRP H 1.0 . 4.43 764 665 A 79 LYS H A 77 GLU H 1.0 . 4.71 765 666 A 76 LEU H A 77 GLU H 1.0 . 3.16 766 667 A 77 GLU HBy A 77 GLU H 1.0 . 2.93 767 668 A 77 GLU HBx A 77 GLU H 1.0 . 3.00 768 669 A 76 LEU HBx A 77 GLU H 1.0 . 4.46 769 670 A 76 LEU HDx% A 77 GLU H 1.0 . 4.73 770 671 A 33 LEU H A 34 GLY H 1.0 . 3.53 771 672 A 33 LEU H A 32 LEU H 1.0 . 3.65 772 673 A 33 LEU H A 30 ASN HA 1.0 . 4.18 773 674 A 33 LEU H A 33 LEU HBx 1.0 . 3.26 774 675 A 33 LEU H A 32 LEU HDx% 1.0 . 3.90 775 676 A 33 LEU H A 92 LEU HDx% 1.0 . 4.27 776 677 A 91 GLU H A 93 ARG H 1.0 . 4.85 777 678 A 92 LEU H A 91 GLU H 1.0 . 3.70 778 679 A 13 ALA H A 12 GLU HGx 1.0 . 4.47 779 679 A 12 GLU HGy A 13 ALA H 1.0 . 4.47 780 680 A 13 ALA H A 12 GLU HBx 1.0 . 3.72 781 680 A 12 GLU HBy A 13 ALA H 1.0 . 3.72 782 681 A 13 ALA H A 13 ALA HB% 1.0 . 3.10 783 682 A 53 LEU H A 52 ALA H 1.0 . 3.76 784 683 A 51 TYR HBx A 52 ALA H 1.0 . 3.68 785 684 A 97 ARG H A 96 ALA H 1.0 . 3.53 786 685 A 95 THR HB A 96 ALA H 1.0 . 3.15 787 686 A 96 ALA H A 96 ALA HB% 1.0 . 3.20 788 687 A 96 ALA H A 94 ALA H 1.0 . 5.09 789 688 A 51 TYR HD% A 52 ALA H 1.0 . 4.12 790 689 A 49 ARG HA A 52 ALA H 1.0 . 3.72 791 690 A 55 VAL H A 54 THR HB 1.0 . 5.09 792 691 A 55 VAL HB A 55 VAL H 1.0 . 3.45 793 692 A 55 VAL HGx% A 55 VAL H 1.0 . 4.15 794 693 A 37 ALA H A 36 TRP H 1.0 . 3.50 795 694 A 36 TRP HE3 A 37 ALA H 1.0 . 3.82 796 695 A 36 TRP HBy A 37 ALA H 1.0 . 3.39 797 696 A 36 TRP HBx A 37 ALA H 1.0 . 3.75 798 697 A 72 LEU HDy% A 37 ALA H 1.0 . 4.81 799 698 A 11 HIS H A 10 ALA H 1.0 . 3.15 800 699 A 10 ALA HA A 10 ALA H 1.0 . 2.91 801 700 A 9 ARG HBx A 10 ALA H 1.0 . 3.31 802 701 A 10 ALA H A 9 ARG HGy 1.0 . 4.35 803 702 A 10 ALA H A 10 ALA HB% 1.0 . 3.07 804 703 A 33 LEU HA A 37 ALA H 1.0 . 5.47 805 704 A 37 ALA H A 34 GLY HAx 1.0 . 4.18 806 704 A 34 GLY HAy A 37 ALA H 1.0 . 4.18 807 705 A 25 ALA H A 27 ALA H 1.0 . 4.76 808 706 A 85 ILE H A 84 THR HB 1.0 . 3.23 809 707 A 85 ILE HB A 85 ILE H 1.0 . 2.97 810 708 A 80 ALA HB% A 85 ILE H 1.0 . 4.77 811 709 A 85 ILE HG1x A 85 ILE H 1.0 . 3.83 812 710 A 25 ALA H A 26 GLU H 1.0 . 3.09 813 711 A 25 ALA H A 22 ASN HA 1.0 . 4.32 814 712 A 25 ALA H A 23 PHE HBx 1.0 . 4.96 815 712 A 23 PHE HBy A 25 ALA H 1.0 . 4.96 816 713 A 24 LYS HBy A 25 ALA H 1.0 . 4.02 817 714 A 24 LYS HBx A 25 ALA H 1.0 . 3.77 818 715 A 85 ILE H A 36 TRP HH2 1.0 . 4.60 819 716 A 32 LEU HBx A 31 ARG H 1.0 . 4.97 820 717 A 33 LEU H A 31 ARG H 1.0 . 5.20 821 718 A 92 LEU H A 93 ARG H 1.0 . 3.52 822 719 A 93 ARG H A 91 GLU HA 1.0 . 4.19 823 720 A 93 ARG H A 93 ARG HBx 1.0 . 3.13 824 720 A 93 ARG HBy A 93 ARG H 1.0 . 3.13 825 721 A 92 LEU HDy% A 93 ARG H 1.0 . 5.30 826 722 A 35 GLU H A 35 GLU HBx 1.0 . 3.16 827 723 A 35 GLU H A 55 VAL HGy% 1.0 . 5.50 828 724 A 68 VAL H A 69 PHE H 1.0 . 3.89 829 725 A 68 VAL H A 67 ASP H 1.0 . 4.15 830 726 A 31 ARG H A 30 ASN HBx 1.0 . 4.07 831 727 A 48 ALA H A 44 THR H 1.0 . 4.18 832 728 A 48 ALA H A 49 ARG H 1.0 . 3.07 833 729 A 48 ALA H A 49 ARG HA 1.0 . 5.35 834 730 A 47 ASP HBx A 48 ALA H 1.0 . 3.41 835 731 A 48 ALA H A 49 ARG HBx 1.0 . 4.15 836 731 A 49 ARG HBy A 48 ALA H 1.0 . 4.15 837 732 A 43 LYS HBy A 48 ALA H 1.0 . 3.81 838 733 A 15 PHE HBy A 16 ALA H 1.0 . 3.97 839 734 A 15 PHE H A 16 ALA H 1.0 . 3.59 840 735 A 15 PHE HBx A 16 ALA H 1.0 . 3.91 841 736 A 29 ARG H A 29 ARG HGy 1.0 . 3.54 842 737 A 29 ARG H A 29 ARG HGx 1.0 . 3.46 843 738 A 88 LYS H A 88 LYS HDx 1.0 . 4.41 844 738 A 88 LYS HDy A 88 LYS H 1.0 . 4.41 845 739 A 89 MET H A 88 LYS H 1.0 . 3.29 846 740 A 88 LYS H A 85 ILE HA 1.0 . 3.97 847 741 A 89 MET HBx A 88 LYS H 1.0 . 5.29 848 742 A 88 LYS H A 88 LYS HBx 1.0 . 3.04 849 743 A 88 LYS H A 88 LYS HGy 1.0 . 4.65 850 744 A 103 GLU H A 104 ILE HD1% 1.0 . 5.34 851 745 A 104 ILE H A 103 GLU H 1.0 . 3.26 852 746 A 102 SER HBx A 103 GLU H 1.0 . 3.88 853 747 A 103 GLU HGy A 103 GLU H 1.0 . 3.55 854 748 A 103 GLU H A 103 GLU HBy 1.0 . 3.79 855 749 A 103 GLU H A 103 GLU HBx 1.0 . 3.14 856 750 A 4 PHE H A 4 PHE HA 1.0 . 2.86 857 751 A 4 PHE H A 4 PHE HBy 1.0 . 3.59 858 752 A 59 ASP H A 57 THR HG2% 1.0 . 5.50 859 753 A 95 THR H A 94 ALA H 1.0 . 3.37 860 754 A 94 ALA H A 93 ARG H 1.0 . 3.26 861 755 A 94 ALA H A 93 ARG HBx 1.0 . 3.85 862 755 A 93 ARG HBy A 94 ALA H 1.0 . 3.85 863 756 A 22 ASN HA A 26 GLU H 1.0 . 4.99 864 757 A 21 LEU H A 22 ASN HBy 1.0 . 5.13 865 758 A 21 LEU H A 20 GLU HBx 1.0 . 3.47 866 758 A 21 LEU H A 20 GLU HBy 1.0 . 3.47 867 759 A 21 LEU H A 21 LEU HG 1.0 . 3.04 868 760 A 23 PHE HA A 26 GLU H 1.0 . 4.50 869 761 A 25 ALA HB% A 26 GLU H 1.0 . 3.88 870 762 A 27 ALA H A 26 GLU H 1.0 . 3.61 871 763 A 23 PHE HDx A 27 ALA H 1.0 . 5.17 872 764 A 65 ASP H A 64 GLY HAx 1.0 . 3.49 873 764 A 64 GLY HAy A 65 ASP H 1.0 . 3.49 874 765 A 65 ASP H A 65 ASP HBx 1.0 . 3.61 875 765 A 65 ASP HBy A 65 ASP H 1.0 . 3.61 876 766 A 65 ASP H A 66 GLU HBx 1.0 . 4.81 877 766 A 66 GLU HBy A 65 ASP H 1.0 . 4.81 878 767 A 81 ASP H A 84 THR HB 1.0 . 3.16 879 768 A 72 LEU H A 71 LYS H 1.0 . 3.62 880 769 A 71 LYS HBy A 71 LYS H 1.0 . 2.90 881 770 A 81 ASP H A 84 THR HG2% 1.0 . 4.06 882 771 A 81 ASP HBy A 81 ASP H 1.0 . 3.82 883 772 A 81 ASP HBx A 81 ASP H 1.0 . 3.44 884 773 A 11 HIS HD2 A 12 GLU H 1.0 . 4.11 885 774 A 11 HIS HA A 12 GLU H 1.0 . 3.32 886 775 A 23 PHE H A 23 PHE HBx 1.0 . 2.80 887 775 A 23 PHE HBy A 23 PHE H 1.0 . 2.80 888 776 A 22 ASN HBy A 23 PHE H 1.0 . 3.93 889 777 A 22 ASN HBx A 23 PHE H 1.0 . 3.76 890 778 A 12 GLU H A 12 GLU HGx 1.0 . 3.40 891 778 A 12 GLU HGy A 12 GLU H 1.0 . 3.40 892 779 A 12 GLU H A 12 GLU HBx 1.0 . 2.81 893 779 A 12 GLU HBy A 12 GLU H 1.0 . 2.81 894 780 A 86 ARG H A 87 ALA H 1.0 . 3.35 895 781 A 86 ARG HA A 87 ALA H 1.0 . 3.46 896 782 A 19 ALA H A 18 ASP H 1.0 . 4.86 897 783 A 17 HIS HBy A 18 ASP H 1.0 . 4.47 898 784 A 17 HIS HBx A 18 ASP H 1.0 . 4.65 899 785 A 18 ASP HBy A 18 ASP H 1.0 . 4.10 900 786 A 18 ASP HBx A 18 ASP H 1.0 . 3.97 901 787 A 47 ASP H A 46 ASP H 1.0 . 3.22 902 788 A 47 ASP H A 49 ARG H 1.0 . 4.26 903 789 A 48 ALA H A 47 ASP H 1.0 . 3.05 904 790 A 47 ASP HBy A 47 ASP H 1.0 . 2.94 905 791 A 47 ASP HBx A 47 ASP H 1.0 . 3.47 906 792 A 47 ASP H A 48 ALA HB% 1.0 . 4.56 907 793 A 8 GLU HBx A 9 ARG H 1.0 . 3.39 908 794 A 9 ARG HBx A 9 ARG H 1.0 . 2.90 909 795 A 9 ARG H A 9 ARG HGy 1.0 . 3.56 910 796 A 9 ARG H A 9 ARG HDx 1.0 . 4.75 911 796 A 9 ARG HDy A 9 ARG H 1.0 . 4.75 912 797 A 87 ALA H A 86 ARG HDx 1.0 . 5.06 913 797 A 86 ARG HDy A 87 ALA H 1.0 . 5.06 914 798 A 72 LEU H A 73 ALA H 1.0 . 3.48 915 799 A 71 LYS H A 73 ALA H 1.0 . 4.62 916 800 A 72 LEU HBy A 73 ALA H 1.0 . 3.41 917 801 A 73 ALA H A 74 ALA HB% 1.0 . 4.67 918 802 A 72 LEU HBx A 73 ALA H 1.0 . 3.88 919 803 A 50 ALA H A 48 ALA HB% 1.0 . 5.50 920 804 A 50 ALA H A 52 ALA H 1.0 . 4.16 921 805 A 8 GLU H A 8 GLU HBy 1.0 . 3.52 922 806 A 8 GLU H A 8 GLU HBx 1.0 . 2.88 923 807 A 78 GLY H A 80 ALA H 1.0 . 4.10 924 808 A 79 LYS H A 80 ALA H 1.0 . 2.79 925 809 A 48 ALA H A 50 ALA H 1.0 . 5.29 926 810 A 90 VAL H A 91 GLU H 1.0 . 3.11 927 811 A 90 VAL H A 87 ALA HA 1.0 . 4.67 928 812 A 90 VAL H A 89 MET HGx 1.0 . 5.14 929 812 A 89 MET HGy A 90 VAL H 1.0 . 5.14 930 813 A 90 VAL H A 90 VAL HB 1.0 . 3.04 931 814 A 90 VAL H A 88 LYS H 1.0 . 4.94 932 815 A 24 LYS H A 25 ALA H 1.0 . 3.79 933 816 A 24 LYS H A 23 PHE HBx 1.0 . 3.47 934 816 A 23 PHE HBy A 24 LYS H 1.0 . 3.47 935 817 A 24 LYS HBy A 24 LYS H 1.0 . 3.27 936 818 A 98 GLU HA A 101 ILE H 1.0 . 3.74 937 819 A 101 ILE HB A 101 ILE H 1.0 . 3.05 938 820 A 101 ILE H A 101 ILE HG1y 1.0 . 3.44 939 821 A 101 ILE H A 101 ILE HG2% 1.0 . 3.84 940 822 A 69 PHE H A 68 VAL HGy% 1.0 . 4.58 941 823 A 28 ARG H A 28 ARG HBx 1.0 . 3.07 942 823 A 28 ARG HBy A 28 ARG H 1.0 . 3.07 943 824 A 75 ASP HBy A 75 ASP H 1.0 . 3.43 944 825 A 75 ASP HBx A 75 ASP H 1.0 . 3.74 945 826 A 29 ARG H A 28 ARG H 1.0 . 3.57 946 827 A 79 LYS H A 78 GLY H 1.0 . 3.43 947 828 A 79 LYS H A 79 LYS HGx 1.0 . 3.58 948 828 A 79 LYS H A 79 LYS HGy 1.0 . 3.58 949 829 A 75 ASP H A 77 GLU H 1.0 . 5.20 950 830 A 75 ASP H A 74 ALA HB% 1.0 . 3.54 951 831 A 14 LYS H A 13 ALA H 1.0 . 3.37 952 832 A 14 LYS H A 13 ALA HA 1.0 . 3.28 953 833 A 14 LYS H A 14 LYS HBx 1.0 . 2.97 954 834 A 50 ALA H A 49 ARG H 1.0 . 3.34 955 835 A 66 GLU H A 64 GLY HAx 1.0 . 5.50 956 835 A 66 GLU H A 64 GLY HAy 1.0 . 5.50 957 836 A 66 GLU H A 65 ASP HBx 1.0 . 4.32 958 836 A 65 ASP HBy A 66 GLU H 1.0 . 4.32 959 837 A 30 ASN H A 29 ARG H 1.0 . 3.90 960 838 A 31 ARG H A 30 ASN H 1.0 . 3.55 961 839 A 30 ASN H A 29 ARG HGx 1.0 . 4.70 962 840 A 56 VAL HGy% A 30 ASN H 1.0 . 4.62 963 841 A 20 GLU H A 18 ASP HA 1.0 . 4.54 964 842 A 66 GLU H A 67 ASP H 1.0 . 4.39 965 843 A 67 ASP H A 66 GLU HBx 1.0 . 4.00 966 843 A 66 GLU HBy A 67 ASP H 1.0 . 4.00 967 844 A 15 PHE HBx A 14 LYS H 1.0 . 5.06 968 845 A 43 LYS H A 42 GLY HAy 1.0 . 3.41 969 846 A 43 LYS HGy A 43 LYS H 1.0 . 3.00 970 847 A 49 ARG H A 49 ARG HBx 1.0 . 2.83 971 847 A 49 ARG HBy A 49 ARG H 1.0 . 2.83 972 848 A 49 ARG HGy A 49 ARG H 1.0 . 3.75 973 849 A 32 LEU HBx A 32 LEU H 1.0 . 3.73 974 850 A 32 LEU H A 31 ARG H 1.0 . 3.77 975 851 A 32 LEU H A 92 LEU HDx% 1.0 . 5.43 976 852 A 84 THR HG2% A 84 THR H 1.0 . 4.07 977 853 A 20 GLU H A 19 ALA H 1.0 . 3.28 978 854 A 21 LEU H A 20 GLU H 1.0 . 3.47 979 855 A 19 ALA HB% A 20 GLU H 1.0 . 3.74 980 856 A 43 LYS HBx A 43 LYS H 1.0 . 3.57 981 857 A 43 LYS HGx A 43 LYS H 1.0 . 3.48 982 858 A 82 GLU H A 81 ASP H 1.0 . 5.04 983 859 A 82 GLU H A 81 ASP HA 1.0 . 3.27 984 860 A 81 ASP HBy A 82 GLU H 1.0 . 3.14 985 861 A 82 GLU H A 82 GLU HGy 1.0 . 3.95 986 862 A 82 GLU H A 82 GLU HGx 1.0 . 3.24 987 863 A 82 GLU H A 85 ILE HD1% 1.0 . 5.33 988 864 A 84 THR HB A 84 THR H 1.0 . 3.11 989 865 A 58 SER H A 57 THR HA 1.0 . 3.54 990 866 A 18 ASP HBy A 20 GLU H 1.0 . 4.43 991 867 A 86 ARG H A 85 ILE H 1.0 . 3.40 992 868 A 60 PHE HE% A 86 ARG H 1.0 . 4.30 993 869 A 86 ARG H A 85 ILE HB 1.0 . 3.38 994 870 A 86 ARG H A 86 ARG HGx 1.0 . 3.37 995 870 A 86 ARG H A 86 ARG HGy 1.0 . 3.37 996 871 A 86 ARG H A 86 ARG HBx 1.0 . 3.75 997 872 A 86 ARG H A 85 ILE HG1x 1.0 . 5.11 998 873 A 86 ARG H A 85 ILE HD1% 1.0 . 5.08 999 874 A 95 THR HG2% A 99 GLN H 1.0 . 5.25 1000 875 A 99 GLN HE2x A 99 GLN H 1.0 . 5.45 1001 876 A 96 ALA HA A 99 GLN H 1.0 . 3.98 1002 877 A 99 GLN HGy A 99 GLN H 1.0 . 3.42 1003 878 A 99 GLN HGx A 99 GLN H 1.0 . 3.61 1004 879 A 99 GLN HBx A 99 GLN H 1.0 . 3.04 1005 880 A 100 ILE HG2% A 100 ILE H 1.0 . 4.48 1006 881 A 83 GLU H A 84 THR H 1.0 . 3.29 1007 882 A 83 GLU H A 81 ASP HA 1.0 . 4.66 1008 883 A 83 GLU H A 84 THR HB 1.0 . 4.58 1009 884 A 81 ASP HBy A 83 GLU H 1.0 . 4.16 1010 885 A 83 GLU H A 82 GLU HBy 1.0 . 3.19 1011 886 A 83 GLU H A 83 GLU HBy 1.0 . 2.90 1012 887 A 72 LEU H A 70 ARG HA 1.0 . 4.74 1013 888 A 72 LEU H A 72 LEU HBy 1.0 . 2.94 1014 889 A 72 LEU H A 72 LEU HG 1.0 . 5.43 1015 890 A 52 ALA H A 51 TYR H 1.0 . 3.51 1016 891 A 50 ALA H A 51 TYR H 1.0 . 3.79 1017 892 A 51 TYR HD% A 51 TYR H 1.0 . 4.36 1018 893 A 51 TYR HBy A 51 TYR H 1.0 . 3.36 1019 894 A 51 TYR HBx A 51 TYR H 1.0 . 3.32 1020 895 A 50 ALA HB% A 51 TYR H 1.0 . 3.52 1021 896 A 73 ALA H A 74 ALA H 1.0 . 3.31 1022 897 A 75 ASP H A 74 ALA H 1.0 . 3.21 1023 898 A 37 ALA H A 38 ALA H 1.0 . 3.64 1024 899 A 51 TYR HD% A 38 ALA H 1.0 . 4.13 1025 900 A 36 TRP HA A 38 ALA H 1.0 . 5.50 1026 901 A 51 TYR HE% A 38 ALA H 1.0 . 4.17 1027 902 A 41 LEU HDy% A 38 ALA H 1.0 . 5.03 1028 903 A 56 VAL H A 55 VAL H 1.0 . 3.90 1029 904 A 56 VAL H A 55 VAL HA 1.0 . 3.47 1030 905 A 56 VAL H A 56 VAL HB 1.0 . 3.40 1031 906 A 56 VAL H A 56 VAL HGx% 1.0 . 3.46 1032 907 A 56 VAL H A 55 VAL HGy% 1.0 . 5.05 1033 908 A 89 MET H A 88 LYS HGx 1.0 . 5.24 1034 909 A 89 MET H A 90 VAL H 1.0 . 3.48 1035 910 A 89 MET H A 89 MET HGx 1.0 . 3.47 1036 910 A 89 MET HGy A 89 MET H 1.0 . 3.47 1037 911 A 89 MET H A 89 MET HBx 1.0 . 3.04 1038 912 A 89 MET H A 88 LYS HBx 1.0 . 3.68 1039 913 A 15 PHE H A 14 LYS H 1.0 . 3.17 1040 914 A 15 PHE HD% A 15 PHE H 1.0 . 3.78 1041 915 A 15 PHE H A 14 LYS HBx 1.0 . 3.66 1042 916 A 78 GLY H A 77 GLU H 1.0 . 4.36 1043 917 A 22 ASN H A 21 LEU HBx 1.0 . 3.85 1044 918 A 98 GLU H A 99 GLN H 1.0 . 3.39 1045 919 A 98 GLU H A 97 ARG H 1.0 . 3.51 1046 920 A 98 GLU H A 98 GLU HBx 1.0 . 2.97 1047 921 A 22 ASN H A 21 LEU H 1.0 . 3.57 1048 922 A 22 ASN H A 15 PHE HD% 1.0 . 4.87 1049 923 A 22 ASN H A 23 PHE HBx 1.0 . 5.13 1050 923 A 22 ASN H A 23 PHE HBy 1.0 . 5.13 1051 924 A 22 ASN H A 20 GLU HBx 1.0 . 5.05 1052 924 A 22 ASN H A 20 GLU HBy 1.0 . 5.05 1053 925 A 70 ARG H A 67 ASP HA 1.0 . 4.92 1054 926 A 70 ARG H A 71 LYS H 1.0 . 3.74 1055 927 A 69 PHE HD% A 70 ARG H 1.0 . 4.24 1056 928 A 66 GLU HA A 70 ARG H 1.0 . 5.03 1057 929 A 70 ARG H A 70 ARG HBy 1.0 . 3.21 1058 930 A 11 HIS HD2 A 11 HIS H 1.0 . 4.27 1059 931 A 11 HIS H A 10 ALA HB% 1.0 . 3.69 1060 932 A 98 GLU HBx A 97 ARG H 1.0 . 4.54 1061 933 A 41 LEU H A 43 LYS H 1.0 . 4.42 1062 934 A 41 LEU H A 40 LEU H 1.0 . 3.38 1063 935 A 41 LEU H A 41 LEU HBx 1.0 . 2.94 1064 936 A 96 ALA H A 95 THR H 1.0 . 3.90 1065 937 A 95 THR HB A 95 THR H 1.0 . 3.20 1066 938 A 53 LEU HBy A 53 LEU H 1.0 . 3.11 1067 939 A 53 LEU H A 52 ALA HB% 1.0 . 3.76 1068 940 A 102 SER HBx A 102 SER H 1.0 . 2.92 1069 941 A 101 ILE HB A 102 SER H 1.0 . 3.44 1070 942 A 101 ILE HG1y A 102 SER H 1.0 . 5.10 1071 943 A 101 ILE H A 102 SER H 1.0 . 3.32 1072 944 A 100 ILE HB A 102 SER H 1.0 . 4.50 1073 945 A 17 HIS H A 16 ALA HB% 1.0 . 4.17 1074 946 A 9 ARG HBx A 9 ARG HH2% 1.0 . 4.54 1075 947 A 9 ARG HH2% A 9 ARG HDx 1.0 . 4.06 1076 947 A 9 ARG HDy A 9 ARG HH2% 1.0 . 4.06 1077 948 A 9 ARG HGx A 9 ARG HH2% 1.0 . 5.29 1078 949 A 76 LEU H A 74 ALA H 1.0 . 4.59 1079 950 A 75 ASP HBy A 76 LEU H 1.0 . 3.78 1080 951 A 75 ASP HBx A 76 LEU H 1.0 . 4.05 1081 952 A 76 LEU HBy A 76 LEU H 1.0 . 3.35 1082 953 A 76 LEU HDx% A 76 LEU H 1.0 . 3.92 1083 954 A 41 LEU HDy% A 76 LEU H 1.0 . 5.50 1084 955 A 56 VAL HA A 57 THR H 1.0 . 3.36 1085 956 A 56 VAL HB A 57 THR H 1.0 . 4.34 1086 957 A 57 THR HG2% A 57 THR H 1.0 . 4.26 1087 958 A 56 VAL HGy% A 57 THR H 1.0 . 4.24 1088 959 A 28 ARG HH2% A 28 ARG HDx 1.0 . 3.79 1089 959 A 28 ARG HDy A 28 ARG HH2% 1.0 . 3.79 1090 960 A 92 LEU H A 90 VAL H 1.0 . 5.29 1091 961 A 92 LEU H A 93 ARG HA 1.0 . 5.02 1092 962 A 92 LEU H A 92 LEU HBx 1.0 . 3.99 1093 963 A 92 LEU H A 92 LEU HDy% 1.0 . 4.37 1094 964 A 56 VAL H A 57 THR H 1.0 . 4.25 1095 965 A 19 ALA HB% A 22 ASN HD2y 1.0 . 5.50 1096 966 A 31 ARG HH2% A 31 ARG HDx 1.0 . 4.01 1097 966 A 31 ARG HDy A 31 ARG HH2% 1.0 . 4.01 1098 967 A 31 ARG HH2% A 31 ARG HGx 1.0 . 5.01 1099 967 A 31 ARG HH2% A 31 ARG HGy 1.0 . 5.01 1100 968 A 22 ASN H A 22 ASN HD2y 1.0 . 4.63 1101 969 A 19 ALA HA A 22 ASN HD2y 1.0 . 4.73 1102 970 A 22 ASN HBy A 22 ASN HD2y 1.0 . 3.85 1103 971 A 22 ASN HBx A 22 ASN HD2y 1.0 . 3.81 1104 972 A 22 ASN HBx A 22 ASN HD2x 1.0 . 4.06 1105 973 A 47 ASP H A 44 THR H 1.0 . 5.13 1106 974 A 44 THR H A 43 LYS H 1.0 . 4.42 1107 975 A 44 THR H A 43 LYS HA 1.0 . 2.67 1108 976 A 48 ALA HA A 44 THR H 1.0 . 5.37 1109 977 A 47 ASP HBy A 44 THR H 1.0 . 3.83 1110 978 A 47 ASP HBx A 44 THR H 1.0 . 3.89 1111 979 A 30 ASN HD2y A 89 MET HGx 1.0 . 4.53 1112 979 A 89 MET HGy A 30 ASN HD2y 1.0 . 4.53 1113 980 A 30 ASN HD2x A 89 MET HGx 1.0 . 5.18 1114 980 A 89 MET HGy A 30 ASN HD2x 1.0 . 5.18 1115 981 A 56 VAL HA A 30 ASN HD2y 1.0 . 4.68 1116 982 A 56 VAL HA A 30 ASN HD2x 1.0 . 5.50 1117 983 A 89 MET HBx A 30 ASN HD2x 1.0 . 5.38 1118 984 A 57 THR HG2% A 30 ASN HD2x 1.0 . 5.50 1119 985 A 54 THR H A 52 ALA H 1.0 . 4.87 1120 986 A 53 LEU H A 54 THR H 1.0 . 3.71 1121 987 A 55 VAL H A 54 THR H 1.0 . 3.48 1122 988 A 54 THR H A 54 THR HB 1.0 . 3.81 1123 989 A 53 LEU HBy A 54 THR H 1.0 . 4.11 1124 990 A 53 LEU HDx% A 54 THR H 1.0 . 5.50 1125 991 A 49 ARG H A 45 GLY H 1.0 . 5.10 1126 992 A 45 GLY H A 44 THR HB 1.0 . 2.90 1127 993 A 45 GLY H A 44 THR HG2% 1.0 . 3.79 1128 994 A 48 ALA H A 45 GLY H 1.0 . 5.00 1129 995 A 43 LYS H A 42 GLY H 1.0 . 3.22 1130 996 A 41 LEU H A 42 GLY H 1.0 . 3.35 1131 997 A 40 LEU H A 42 GLY H 1.0 . 4.92 1132 998 A 41 LEU HDx% A 42 GLY H 1.0 . 5.04 1133 999 A 41 LEU HDy% A 42 GLY H 1.0 . 5.50 1134 1000 A 99 GLN HE2y A 99 GLN HA 1.0 . 5.50 1135 1001 A 99 GLN HE2y A 99 GLN HBx 1.0 . 5.24 1136 1002 A 34 GLY H A 52 ALA HA 1.0 . 4.41 1137 1003 A 33 LEU HBy A 34 GLY H 1.0 . 3.61 1138 1004 A 33 LEU HBx A 34 GLY H 1.0 . 3.83 1139 1005 A 52 ALA HB% A 34 GLY H 1.0 . 4.43 1140 1006 A 38 ALA H A 39 GLY H 1.0 . 3.47 1141 1007 A 36 TRP HA A 39 GLY H 1.0 . 4.50 1142 1008 A 39 GLY H A 39 GLY HAx 1.0 . 2.85 1143 1008 A 39 GLY H A 39 GLY HAy 1.0 . 2.85 1144 1009 A 69 PHE HD% A 70 ARG HA 1.0 . 5.06 1145 1010 A 52 ALA HB% A 51 TYR HD% 1.0 . 4.01 1146 1011 A 15 PHE HE% A 101 ILE HG2% 1.0 . 5.50 1147 1012 A 24 LYS H A 23 PHE HDx 1.0 . 4.53 1148 1013 A 15 PHE HD% A 11 HIS HA 1.0 . 4.25 1149 1014 A 15 PHE HD% A 25 ALA HB% 1.0 . 4.18 1150 1015 A 15 PHE HZ A 97 ARG HA 1.0 . 4.98 1151 1016 A 85 ILE HG1y A 36 TRP HH2 1.0 . 4.69 1152 1017 A 85 ILE HG1x A 36 TRP HH2 1.0 . 4.73 1153 1018 A 16 ALA HB% A 17 HIS HD2 1.0 . 4.66 1154 1019 A 11 HIS HD2 A 10 ALA HB% 1.0 . 5.06 1155 1020 A 11 HIS HA A 11 HIS HD2 1.0 . 4.28 1156 1021 A 48 ALA HA A 51 TYR HE% 1.0 . 5.50 1157 1022 A 38 ALA HB% A 51 TYR HE% 1.0 . 3.60 stop_ save_