data_nef_c18764_4bd3 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 4BD3 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 2 6 M3L N 2 5 VAL C 2 6 M3L C 2 7 LYS N stop_ 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 38 SER start . . 2 A 39 LYS middle . . 3 A 40 LEU middle . . 4 A 41 THR middle . . 5 A 42 GLU middle . . 6 A 43 GLY middle . false 7 A 44 GLN middle . . 8 A 45 TYR middle . . 9 A 46 VAL middle . . 10 A 47 LEU middle . . 11 A 48 CYS middle . . 12 A 49 ARG middle . . 13 A 50 TRP middle . . 14 A 51 THR middle . . 15 A 52 ASP middle . . 16 A 53 GLY middle . false 17 A 54 LEU middle . . 18 A 55 TYR middle . . 19 A 56 TYR middle . . 20 A 57 LEU middle . . 21 A 58 GLY middle . false 22 A 59 LYS middle . . 23 A 60 ILE middle . . 24 A 61 LYS middle . . 25 A 62 ARG middle . . 26 A 63 VAL middle . . 27 A 64 SER middle . . 28 A 65 SER middle . . 29 A 66 SER middle . . 30 A 67 LYS middle . . 31 A 68 GLN middle . . 32 A 69 SER middle . . 33 A 70 CYS middle . . 34 A 71 LEU middle . . 35 A 72 VAL middle . . 36 A 73 THR middle . . 37 A 74 PHE middle . . 38 A 75 GLU middle . . 39 A 76 ASP middle . . 40 A 77 ASN middle . . 41 A 78 SER middle . . 42 A 79 LYS middle . . 43 A 80 TYR middle . . 44 A 81 TRP middle . . 45 A 82 VAL middle . . 46 A 83 LEU middle . . 47 A 84 TRP middle . . 48 A 85 LYS middle . . 49 A 86 ASP middle . . 50 A 87 ILE middle . . 51 A 88 GLN middle . . 52 A 89 HIS middle . . 53 A 90 ALA middle . . 54 A 91 GLY middle . false 55 A 92 VAL middle . . 56 A 93 PRO middle . false 57 A 94 GLY middle . false 58 A 95 GLU end . . 59 B 31 ALA start . . 60 B 32 THR middle . . 61 B 33 GLY middle . false 62 B 34 GLY middle . false 63 B 35 VAL middle . . 64 B 36 M3L middle . . 65 B 37 LYS middle . . 66 B 38 PRO middle . false 67 B 39 HIS middle . . 68 B 40 ARG middle . . 69 B 41 TYR 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 38 SER HA H 1 4.109 . A 38 SER HB2 H 1 3.533 . A 38 SER CA C 13 58.568 . A 38 SER CB C 13 63.490 . A 39 LYS H H 1 8.100 . A 39 LYS HA H 1 4.135 . A 39 LYS HBx H 1 1.566 . A 39 LYS HBy H 1 1.712 . A 39 LYS HD2 H 1 1.539 . A 39 LYS HE2 H 1 2.861 . A 39 LYS HGx H 1 1.234 . A 39 LYS HGy H 1 1.285 . A 39 LYS CA C 13 55.833 . A 39 LYS CB C 13 32.590 . A 39 LYS CD C 13 28.762 . A 39 LYS CE C 13 42.161 . A 39 LYS CG C 13 24.660 . A 39 LYS N N 15 122.730 . A 40 LEU H H 1 7.658 . A 40 LEU HA H 1 4.478 . A 40 LEU HBy H 1 1.257 . A 40 LEU HBx H 1 0.825 . A 40 LEU HDx% H 1 0.469 . A 40 LEU HDy% H 1 0.160 . A 40 LEU HG H 1 1.189 . A 40 LEU CA C 13 54.193 . A 40 LEU CB C 13 42.161 . A 40 LEU CDx C 13 23.020 . A 40 LEU CDy C 13 25.481 . A 40 LEU CG C 13 26.301 . A 40 LEU N N 15 123.170 . A 41 THR H H 1 7.723 . A 41 THR HA H 1 4.410 . A 41 THR HB H 1 3.897 . A 41 THR HG2% H 1 1.097 . A 41 THR CA C 13 59.935 . A 41 THR CB C 13 71.967 . A 41 THR CG2 C 13 20.832 . A 41 THR N N 15 114.152 . A 42 GLU H H 1 8.643 . A 42 GLU HA H 1 3.423 . A 42 GLU HBx H 1 1.819 . A 42 GLU HBy H 1 1.856 . A 42 GLU HGx H 1 2.139 . A 42 GLU HGy H 1 2.288 . A 42 GLU CA C 13 58.568 . A 42 GLU CB C 13 29.036 . A 42 GLU CG C 13 36.692 . A 42 GLU N N 15 122.290 . A 43 GLY H H 1 9.032 . A 43 GLY HAy H 1 4.279 . A 43 GLY HAx H 1 3.292 . A 43 GLY CA C 13 44.759 . A 43 GLY N N 15 112.612 . A 44 GLN H H 1 7.341 . A 44 GLN HA H 1 4.221 . A 44 GLN HBx H 1 2.026 . A 44 GLN HBy H 1 2.119 . A 44 GLN HE21 H 1 7.437 . A 44 GLN HE22 H 1 6.651 . A 44 GLN HGy H 1 2.384 . A 44 GLN HGx H 1 2.326 . A 44 GLN CA C 13 55.833 . A 44 GLN CB C 13 30.129 . A 44 GLN CG C 13 33.958 . A 44 GLN N N 15 119.431 . A 44 GLN NE2 N 15 110.632 . A 45 TYR H H 1 8.742 . A 45 TYR HA H 1 5.263 . A 45 TYR HBx H 1 2.702 . A 45 TYR HBy H 1 2.837 . A 45 TYR HDx H 1 7.058 . A 45 TYR HEx H 1 6.776 . A 45 TYR CA C 13 58.021 . A 45 TYR CB C 13 39.153 . A 45 TYR CDx C 13 133.219 . A 45 TYR CEx C 13 118.179 . A 45 TYR N N 15 122.510 . A 46 VAL H H 1 9.179 . A 46 VAL HA H 1 4.726 . A 46 VAL HB H 1 2.118 . A 46 VAL HGx% H 1 0.484 . A 46 VAL HGy% H 1 0.693 . A 46 VAL CA C 13 58.841 . A 46 VAL CB C 13 36.419 . A 46 VAL CGx C 13 18.098 . A 46 VAL CGy C 13 23.567 . A 46 VAL N N 15 114.812 . A 47 LEU H H 1 8.767 . A 47 LEU HA H 1 4.930 . A 47 LEU HBy H 1 1.557 . A 47 LEU HBx H 1 1.245 . A 47 LEU HDx% H 1 0.493 . A 47 LEU HDy% H 1 0.419 . A 47 LEU HG H 1 1.357 . A 47 LEU CA C 13 53.646 . A 47 LEU CB C 13 44.075 . A 47 LEU CDy C 13 24.660 . A 47 LEU CDx C 13 23.020 . A 47 LEU CG C 13 26.898 . A 47 LEU N N 15 121.630 . A 48 CYS H H 1 9.296 . A 48 CYS HA H 1 5.452 . A 48 CYS HBy H 1 3.296 . A 48 CYS HBx H 1 2.931 . A 48 CYS CA C 13 57.201 . A 48 CYS CB C 13 30.676 . A 48 CYS N N 15 120.970 . A 49 ARG H H 1 9.444 . A 49 ARG HA H 1 3.844 . A 49 ARG HBy H 1 1.699 . A 49 ARG HBx H 1 1.290 . A 49 ARG HDx H 1 3.017 . A 49 ARG HDy H 1 3.049 . A 49 ARG HGx H 1 0.698 . A 49 ARG HGy H 1 1.446 . A 49 ARG CA C 13 56.380 . A 49 ARG CB C 13 30.129 . A 49 ARG CD C 13 43.255 . A 49 ARG CG C 13 27.121 . A 49 ARG N N 15 128.669 . A 50 TRP H H 1 9.057 . A 50 TRP HA H 1 5.100 . A 50 TRP HBx H 1 3.041 . A 50 TRP HBy H 1 3.983 . A 50 TRP HD1 H 1 6.769 . A 50 TRP HE3 H 1 7.324 . A 50 TRP HZ2 H 1 6.885 . A 50 TRP HZ3 H 1 6.652 . A 50 TRP CA C 13 54.193 . A 50 TRP CB C 13 31.770 . A 50 TRP CE3 C 13 120.094 . A 50 TRP CZ2 C 13 114.625 . A 50 TRP CZ3 C 13 122.555 . A 50 TRP N N 15 129.989 . A 51 THR H H 1 6.112 . A 51 THR HA H 1 3.710 . A 51 THR HB H 1 3.880 . A 51 THR HG2% H 1 0.641 . A 51 THR CA C 13 63.490 . A 51 THR CB C 13 67.592 . A 51 THR CG2 C 13 21.652 . A 51 THR N N 15 114.592 . A 52 ASP H H 1 7.618 . A 52 ASP HA H 1 4.441 . A 52 ASP HBx H 1 2.658 . A 52 ASP HBy H 1 3.067 . A 52 ASP CA C 13 53.099 . A 52 ASP CB C 13 39.973 . A 52 ASP N N 15 118.991 . A 53 GLY H H 1 8.179 . A 53 GLY HAy H 1 4.135 . A 53 GLY HAx H 1 3.467 . A 53 GLY CA C 13 45.169 . A 53 GLY N N 15 108.433 . A 54 LEU H H 1 8.177 . A 54 LEU HA H 1 4.543 . A 54 LEU HBy H 1 1.959 . A 54 LEU HBx H 1 1.120 . A 54 LEU HDx% H 1 0.780 . A 54 LEU HDy% H 1 0.796 . A 54 LEU HG H 1 1.350 . A 54 LEU CA C 13 53.099 . A 54 LEU CB C 13 41.614 . A 54 LEU CDy C 13 25.207 . A 54 LEU CDx C 13 22.473 . A 54 LEU CG C 13 27.121 . A 54 LEU N N 15 122.510 . A 55 TYR H H 1 8.393 . A 55 TYR HA H 1 5.283 . A 55 TYR HBy H 1 2.888 . A 55 TYR HBx H 1 2.482 . A 55 TYR HDx H 1 6.936 . A 55 TYR HEx H 1 6.734 . A 55 TYR CA C 13 56.927 . A 55 TYR CB C 13 40.794 . A 55 TYR CDx C 13 132.946 . A 55 TYR CEx C 13 118.179 . A 55 TYR N N 15 116.571 . A 56 TYR H H 1 8.920 . A 56 TYR HA H 1 5.062 . A 56 TYR HBy H 1 2.953 . A 56 TYR HBx H 1 2.948 . A 56 TYR HDx H 1 6.780 . A 56 TYR HEx H 1 6.973 . A 56 TYR CA C 13 57.471 . A 56 TYR CB C 13 42.620 . A 56 TYR CDx C 13 133.492 . A 56 TYR CEx C 13 119.820 . A 56 TYR N N 15 118.111 . A 57 LEU H H 1 9.523 . A 57 LEU HA H 1 4.904 . A 57 LEU HBy H 1 1.878 . A 57 LEU HBx H 1 1.351 . A 57 LEU HDx% H 1 0.753 . A 57 LEU HDy% H 1 0.783 . A 57 LEU HG H 1 1.546 . A 57 LEU CA C 13 55.286 . A 57 LEU CB C 13 43.528 . A 57 LEU CDy C 13 25.754 . A 57 LEU CDx C 13 24.114 . A 57 LEU CG C 13 27.121 . A 57 LEU N N 15 126.909 . A 58 GLY H H 1 9.487 . A 58 GLY HAy H 1 4.611 . A 58 GLY HAx H 1 2.902 . A 58 GLY CA C 13 44.622 . A 58 GLY N N 15 115.471 . A 59 LYS H H 1 8.311 . A 59 LYS HA H 1 4.652 . A 59 LYS HBy H 1 1.271 . A 59 LYS HBx H 1 1.039 . A 59 LYS HDx H 1 1.271 . A 59 LYS HDy H 1 1.282 . A 59 LYS HEx H 1 2.606 . A 59 LYS HEy H 1 2.612 . A 59 LYS HGy H 1 0.600 . A 59 LYS HGx H 1 0.381 . A 59 LYS CA C 13 53.646 . A 59 LYS CB C 13 35.572 . A 59 LYS CD C 13 29.309 . A 59 LYS CE C 13 41.341 . A 59 LYS CG C 13 24.387 . A 59 LYS N N 15 120.531 . A 60 ILE H H 1 8.748 . A 60 ILE HA H 1 3.576 . A 60 ILE HB H 1 1.956 . A 60 ILE HD1% H 1 0.829 . A 60 ILE HG1y H 1 1.728 . A 60 ILE HG1x H 1 0.672 . A 60 ILE HG2% H 1 0.562 . A 60 ILE CA C 13 64.037 . A 60 ILE CB C 13 37.512 . A 60 ILE CD1 C 13 14.816 . A 60 ILE CG1 C 13 28.489 . A 60 ILE CG2 C 13 18.371 . A 60 ILE N N 15 125.810 . A 61 LYS H H 1 9.729 . A 61 LYS HA H 1 4.387 . A 61 LYS HBy H 1 1.488 . A 61 LYS HBx H 1 1.487 . A 61 LYS HDx H 1 1.402 . A 61 LYS HDy H 1 1.488 . A 61 LYS HE2 H 1 2.905 . A 61 LYS HE3 H 1 2.905 . A 61 LYS HG2 H 1 1.262 . A 61 LYS CA C 13 56.107 . A 61 LYS CB C 13 33.137 . A 61 LYS CD C 13 27.668 . A 61 LYS CE C 13 41.614 . A 61 LYS CG C 13 24.660 . A 61 LYS N N 15 131.969 . A 62 ARG H H 1 7.382 . A 62 ARG HA H 1 4.652 . A 62 ARG HBx H 1 1.615 . A 62 ARG HBy H 1 1.699 . A 62 ARG HDx H 1 3.252 . A 62 ARG HDy H 1 3.335 . A 62 ARG HGx H 1 1.574 . A 62 ARG HGy H 1 1.615 . A 62 ARG CA C 13 55.013 . A 62 ARG CB C 13 34.778 . A 62 ARG CD C 13 43.255 . A 62 ARG CG C 13 27.121 . A 62 ARG N N 15 115.252 . A 63 VAL H H 1 9.550 . A 63 VAL HA H 1 4.485 . A 63 VAL HB H 1 2.204 . A 63 VAL HGx% H 1 0.851 . A 63 VAL HGy% H 1 1.197 . A 63 VAL CA C 13 62.396 . A 63 VAL CB C 13 33.958 . A 63 VAL CGx C 13 21.106 . A 63 VAL CGy C 13 22.199 . A 63 VAL N N 15 126.250 . A 64 SER H H 1 8.987 . A 64 SER HA H 1 5.110 . A 64 SER HBy H 1 3.781 . A 64 SER HBx H 1 3.697 . A 64 SER CA C 13 55.560 . A 64 SER CB C 13 63.490 . A 64 SER N N 15 120.751 . A 65 SER HA H 1 4.547 . A 65 SER HB2 H 1 4.099 . A 65 SER CA C 13 61.302 . A 65 SER CB C 13 62.123 . A 66 SER HA H 1 4.117 . A 66 SER HB2 H 1 3.765 . A 66 SER CA C 13 60.755 . A 66 SER CB C 13 62.123 . A 67 LYS H H 1 7.306 . A 67 LYS HA H 1 4.586 . A 67 LYS HBx H 1 1.139 . A 67 LYS HBy H 1 1.523 . A 67 LYS HD2 H 1 0.875 . A 67 LYS HE2 H 1 2.253 . A 67 LYS HGy H 1 1.064 . A 67 LYS HGx H 1 1.003 . A 67 LYS CA C 13 55.560 . A 67 LYS CB C 13 32.317 . A 67 LYS CD C 13 28.215 . A 67 LYS CE C 13 41.341 . A 67 LYS CG C 13 24.660 . A 67 LYS N N 15 117.891 . A 68 GLN H H 1 7.335 . A 68 GLN HA H 1 3.778 . A 68 GLN HBy H 1 1.791 . A 68 GLN HBx H 1 1.394 . A 68 GLN HE21 H 1 7.469 . A 68 GLN HE22 H 1 6.736 . A 68 GLN HGx H 1 1.791 . A 68 GLN HGy H 1 1.869 . A 68 GLN CG C 13 33.958 . A 68 GLN N N 15 119.431 . A 68 GLN NE2 N 15 112.612 . A 69 SER H H 1 7.417 . A 69 SER HA H 1 5.314 . A 69 SER HBy H 1 3.740 . A 69 SER HBx H 1 3.462 . A 69 SER CA C 13 57.474 . A 69 SER CB C 13 68.683 . A 69 SER N N 15 109.533 . A 70 CYS H H 1 9.810 . A 70 CYS HA H 1 5.378 . A 70 CYS HBy H 1 2.896 . A 70 CYS HBx H 1 2.494 . A 70 CYS CA C 13 56.927 . A 70 CYS CB C 13 32.043 . A 70 CYS N N 15 119.431 . A 71 LEU H H 1 8.583 . A 71 LEU HA H 1 3.766 . A 71 LEU HBy H 1 0.925 . A 71 LEU HBx H 1 -1.136 . A 71 LEU HDx% H 1 -0.321 . A 71 LEU HDy% H 1 0.390 . A 71 LEU HG H 1 0.591 . A 71 LEU CA C 13 53.646 . A 71 LEU CB C 13 41.067 . A 71 LEU CDx C 13 20.559 . A 71 LEU CDy C 13 25.481 . A 71 LEU CG C 13 26.301 . A 71 LEU N N 15 129.769 . A 72 VAL H H 1 8.852 . A 72 VAL HA H 1 4.335 . A 72 VAL HB H 1 1.632 . A 72 VAL HGx% H 1 0.003 . A 72 VAL HGy% H 1 0.596 . A 72 VAL CA C 13 60.755 . A 72 VAL CB C 13 34.778 . A 72 VAL CGy C 13 21.379 . A 72 VAL CGx C 13 21.106 . A 72 VAL N N 15 130.209 . A 73 THR H H 1 8.391 . A 73 THR HA H 1 5.086 . A 73 THR HB H 1 3.800 . A 73 THR HG2% H 1 1.157 . A 73 THR CA C 13 59.662 . A 73 THR CB C 13 69.779 . A 73 THR CG2 C 13 21.652 . A 73 THR N N 15 118.771 . A 74 PHE H H 1 9.014 . A 74 PHE HA H 1 4.940 . A 74 PHE HBy H 1 3.427 . A 74 PHE HBx H 1 2.960 . A 74 PHE HDx H 1 7.295 . A 74 PHE HEx H 1 7.060 . A 74 PHE HZ H 1 6.986 . A 74 PHE CA C 13 58.294 . A 74 PHE CB C 13 39.700 . A 74 PHE CDx C 13 132.399 . A 74 PHE CEx C 13 130.758 . A 74 PHE CZ C 13 129.117 . A 74 PHE N N 15 126.470 . A 75 GLU H H 1 9.805 . A 75 GLU HA H 1 4.096 . A 75 GLU HBx H 1 2.103 . A 75 GLU HBy H 1 2.216 . A 75 GLU HGx H 1 2.341 . A 75 GLU HGy H 1 2.544 . A 75 GLU CA C 13 59.935 . A 75 GLU CB C 13 30.676 . A 75 GLU CG C 13 37.512 . A 75 GLU N N 15 120.531 . A 76 ASP H H 1 7.961 . A 76 ASP HA H 1 4.452 . A 76 ASP HBy H 1 3.021 . A 76 ASP HBx H 1 2.342 . A 76 ASP CA C 13 52.825 . A 76 ASP CB C 13 39.700 . A 76 ASP N N 15 115.471 . A 77 ASN H H 1 8.415 . A 77 ASN HA H 1 4.259 . A 77 ASN HB2 H 1 3.019 . A 77 ASN HD21 H 1 7.551 . A 77 ASN HD22 H 1 6.850 . A 77 ASN CA C 13 55.013 . A 77 ASN CB C 13 37.512 . A 77 ASN N N 15 113.712 . A 77 ASN ND2 N 15 113.272 . A 78 SER H H 1 8.016 . A 78 SER HA H 1 5.088 . A 78 SER HB2 H 1 3.800 . A 78 SER CA C 13 59.662 . A 78 SER CB C 13 63.832 . A 78 SER N N 15 117.451 . A 79 LYS H H 1 7.851 . A 79 LYS HA H 1 5.664 . A 79 LYS HB2 H 1 1.309 . A 79 LYS HDy H 1 1.444 . A 79 LYS HDx H 1 1.319 . A 79 LYS HE2 H 1 2.832 . A 79 LYS HGx H 1 1.235 . A 79 LYS HGy H 1 1.322 . A 79 LYS CA C 13 54.740 . A 79 LYS CB C 13 35.051 . A 79 LYS CD C 13 29.582 . A 79 LYS CE C 13 41.614 . A 79 LYS CG C 13 23.931 . A 79 LYS N N 15 118.771 . A 80 TYR H H 1 8.510 . A 80 TYR HBy H 1 3.427 . A 80 TYR HBx H 1 2.658 . A 80 TYR HDx H 1 7.155 . A 80 TYR HEx H 1 6.804 . A 80 TYR CB C 13 43.802 . A 80 TYR CDx C 13 133.492 . A 80 TYR CEx C 13 118.179 . A 80 TYR N N 15 119.211 . A 81 TRP H H 1 9.125 . A 81 TRP HA H 1 5.068 . A 81 TRP HBx H 1 3.009 . A 81 TRP HBy H 1 3.122 . A 81 TRP HD1 H 1 7.335 . A 81 TRP HE1 H 1 10.288 . A 81 TRP HE3 H 1 7.217 . A 81 TRP HH2 H 1 6.927 . A 81 TRP HZ2 H 1 7.456 . A 81 TRP HZ3 H 1 6.578 . A 81 TRP CA C 13 57.474 . A 81 TRP CB C 13 28.762 . A 81 TRP CD1 C 13 127.750 . A 81 TRP CE3 C 13 120.640 . A 81 TRP CH2 C 13 123.375 . A 81 TRP CZ2 C 13 114.898 . A 81 TRP CZ3 C 13 121.734 . A 81 TRP N N 15 123.830 . A 81 TRP NE1 N 15 130.426 . A 82 VAL H H 1 9.780 . A 82 VAL HA H 1 4.427 . A 82 VAL HB H 1 2.020 . A 82 VAL HGx% H 1 1.208 . A 82 VAL HGy% H 1 1.264 . A 82 VAL CA C 13 61.029 . A 82 VAL CB C 13 35.598 . A 82 VAL CGx C 13 21.106 . A 82 VAL CGy C 13 21.598 . A 82 VAL N N 15 127.129 . A 83 LEU H H 1 9.358 . A 83 LEU HA H 1 4.585 . A 83 LEU HB2 H 1 1.803 . A 83 LEU HDx% H 1 0.879 . A 83 LEU HDy% H 1 0.949 . A 83 LEU HG H 1 1.874 . A 83 LEU CA C 13 55.560 . A 83 LEU CB C 13 42.434 . A 83 LEU CDx C 13 22.473 . A 83 LEU CDy C 13 26.028 . A 83 LEU CG C 13 27.121 . A 83 LEU N N 15 128.669 . A 84 TRP H H 1 9.012 . A 84 TRP HA H 1 4.477 . A 84 TRP HBx H 1 3.187 . A 84 TRP HBy H 1 3.268 . A 84 TRP HD1 H 1 6.885 . A 84 TRP HE3 H 1 7.581 . A 84 TRP HH2 H 1 7.277 . A 84 TRP HZ2 H 1 7.101 . A 84 TRP HZ3 H 1 7.206 . A 84 TRP CA C 13 58.294 . A 84 TRP CB C 13 28.489 . A 84 TRP CD1 C 13 122.555 . A 84 TRP CE3 C 13 121.734 . A 84 TRP CH2 C 13 125.836 . A 84 TRP CZ2 C 13 114.078 . A 84 TRP CZ3 C 13 122.828 . A 84 TRP N N 15 122.290 . A 85 LYS H H 1 8.083 . A 85 LYS HA H 1 4.342 . A 85 LYS HBx H 1 1.856 . A 85 LYS HBy H 1 1.929 . A 85 LYS HDx H 1 1.632 . A 85 LYS HDy H 1 1.727 . A 85 LYS HE2 H 1 2.988 . A 85 LYS HE3 H 1 2.988 . A 85 LYS HGx H 1 1.354 . A 85 LYS HGy H 1 1.442 . A 85 LYS CA C 13 58.021 . A 85 LYS CB C 13 31.497 . A 85 LYS CD C 13 29.039 . A 85 LYS CE C 13 41.614 . A 85 LYS CG C 13 23.840 . A 85 LYS N N 15 114.592 . A 86 ASP H H 1 8.105 . A 86 ASP HA H 1 5.047 . A 86 ASP HBy H 1 3.370 . A 86 ASP HBx H 1 2.854 . A 86 ASP CA C 13 54.466 . A 86 ASP CB C 13 42.434 . A 86 ASP N N 15 120.531 . A 87 ILE H H 1 7.673 . A 87 ILE HA H 1 4.905 . A 87 ILE HB H 1 1.889 . A 87 ILE HD1% H 1 0.823 . A 87 ILE HG1y H 1 2.070 . A 87 ILE HG1x H 1 1.053 . A 87 ILE HG2% H 1 0.722 . A 87 ILE CA C 13 61.302 . A 87 ILE CB C 13 39.973 . A 87 ILE CD1 C 13 14.543 . A 87 ILE CG1 C 13 28.215 . A 87 ILE CG2 C 13 17.824 . A 87 ILE N N 15 120.970 . A 88 GLN H H 1 9.097 . A 88 GLN HA H 1 4.633 . A 88 GLN HBx H 1 1.810 . A 88 GLN HBy H 1 2.012 . A 88 GLN HE21 H 1 7.037 . A 88 GLN HE22 H 1 6.518 . A 88 GLN HGx H 1 2.152 . A 88 GLN HGy H 1 2.196 . A 88 GLN CA C 13 53.919 . A 88 GLN CB C 13 31.770 . A 88 GLN CG C 13 33.411 . A 88 GLN N N 15 126.030 . A 88 GLN NE2 N 15 111.292 . A 89 HIS H H 1 8.637 . A 89 HIS HA H 1 4.452 . A 89 HIS HBx H 1 2.966 . A 89 HIS HBy H 1 3.027 . A 89 HIS HD2 H 1 6.931 . A 89 HIS HE2 H 1 7.595 . A 89 HIS CA C 13 57.201 . A 89 HIS CB C 13 30.676 . A 89 HIS N N 15 122.070 . A 90 ALA H H 1 8.198 . A 90 ALA HA H 1 4.290 . A 90 ALA HB% H 1 1.160 . A 90 ALA CA C 13 52.005 . A 90 ALA CB C 13 19.465 . A 90 ALA N N 15 125.370 . A 91 GLY H H 1 8.297 . A 91 GLY HA2 H 1 3.888 . A 91 GLY HA3 H 1 3.888 . A 91 GLY CA C 13 45.282 . A 91 GLY N N 15 108.653 . A 92 VAL H H 1 7.898 . A 92 VAL HA H 1 4.239 . A 92 VAL HB H 1 1.952 . A 92 VAL HGx% H 1 0.812 . A 92 VAL HGy% H 1 0.851 . A 92 VAL CA C 13 59.662 . A 92 VAL CB C 13 32.590 . A 92 VAL CG2 C 13 20.285 . A 92 VAL N N 15 120.476 . A 93 PRO HA H 1 4.239 . A 93 PRO HB2 H 1 2.169 . A 93 PRO HDy H 1 3.674 . A 93 PRO HDx H 1 3.477 . A 93 PRO HG2 H 1 1.845 . A 93 PRO CA C 13 63.490 . A 93 PRO CB C 13 31.770 . A 93 PRO CD C 13 50.911 . A 93 PRO CG C 13 27.395 . A 94 GLY H H 1 8.377 . A 94 GLY HAx H 1 3.903 . A 94 GLY HAy H 1 4.001 . A 94 GLY CA C 13 44.896 . A 94 GLY N N 15 110.412 . A 95 GLU H H 1 7.782 . A 95 GLU HA H 1 4.089 . A 95 GLU HB2 H 1 2.010 . A 95 GLU HG2 H 1 2.150 . A 95 GLU CA C 13 57.748 . A 95 GLU CB C 13 31.223 . A 95 GLU CG C 13 36.692 . A 95 GLU N N 15 125.810 . stop_ save_ save_assigned_chem_shift_list_1_2 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1_2 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 38 SER HA H 1 4.127 . A 39 LYS HA H 1 4.183 . A 42 GLU H H 1 7.909 . A 42 GLU HA H 1 4.168 . A 44 GLN H H 1 8.826 . A 44 GLN HA H 1 4.846 . A 44 GLN HBx H 1 1.645 . A 44 GLN HBy H 1 1.793 . A 44 GLN HG2 H 1 1.384 . A 44 GLN HG3 H 1 1.384 . A 45 TYR HB3 H 1 1.651 . A 46 VAL H H 1 8.900 . A 46 VAL HA H 1 4.390 . A 47 LEU H H 1 7.864 . A 47 LEU HA H 1 3.062 . A 47 LEU HBy H 1 1.669 . A 47 LEU HBx H 1 1.525 . A 48 CYS H H 1 7.635 . A 48 CYS HA H 1 4.170 . A 48 CYS HBy H 1 2.867 . A 48 CYS HBx H 1 2.608 . B 31 ALA HB% H 1 1.482 . B 32 THR HB H 1 4.336 . B 32 THR HG2% H 1 1.199 . B 34 GLY HAx H 1 3.916 . B 34 GLY HAy H 1 4.016 . B 35 VAL HB H 1 1.925 . B 35 VAL HG2% H 1 0.853 . B 36 M3L HA H 1 4.408 . B 36 M3L HB2 H 1 1.630 . B 36 M3L HB3 H 1 1.630 . B 36 M3L HD2 H 1 1.165 . B 36 M3L HD3 H 1 1.165 . B 36 M3L HGy H 1 1.500 . B 36 M3L HGx H 1 1.360 . B 37 LYS HD2 H 1 1.655 . B 37 LYS HD3 H 1 1.655 . B 37 LYS HE2 H 1 2.941 . B 37 LYS HE3 H 1 2.941 . B 38 PRO HDy H 1 3.845 . B 38 PRO HDx H 1 3.631 . B 38 PRO HGx H 1 1.639 . B 38 PRO HGy H 1 1.918 . B 39 HIS HBy H 1 2.794 . B 39 HIS HBx H 1 2.729 . B 39 HIS HD2 H 1 6.550 . B 39 HIS HE1 H 1 7.526 . B 40 ARG HD2 H 1 4.290 . B 40 ARG HD3 H 1 4.290 . B 40 ARG HG2 H 1 1.440 . B 40 ARG HG3 H 1 1.440 . B 41 TYR HDx H 1 6.934 . stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 46 VAL HA A 46 VAL HB 1.0 1.8 3.8 2 2 A 46 VAL HA A 90 ALA HB% 1.0 1.9 4.7 3 3 A 46 VAL HA A 87 ILE HG2% 1.0 2.0 6.0 4 4 A 46 VAL HB A 46 VAL HGy% 1.0 1.7 2.9 5 5 A 46 VAL HB A 87 ILE HG2% 1.0 1.6 2.8 6 6 A 46 VAL HB A 46 VAL HGx% 1.0 1.7 2.9 7 7 A 46 VAL HA A 46 VAL HGx% 1.0 1.8 4.2 8 8 A 44 GLN HBy A 44 GLN HA 1.0 1.7 3.1 9 9 A 44 GLN HBy A 44 GLN HG2 1.0 1.7 3.1 10 10 A 44 GLN HBy A 44 GLN HBx 1.0 1.4 2.2 11 11 A 44 GLN HBy A 41 THR HG2% 1.0 0.0 6.0 12 12 A 44 GLN HBy A 60 ILE HG1x 1.0 2.0 6.0 13 13 A 44 GLN HBx A 41 THR HG2% 1.0 0.0 6.0 14 14 A 44 GLN HBx A 60 ILE HD1% 1.0 0.0 6.0 15 15 A 44 GLN HBx A 60 ILE HG1x 1.0 2.0 4.8 16 16 A 44 GLN HBy A 60 ILE HG2% 1.0 0.0 6.0 17 17 A 44 GLN HBx A 60 ILE HG2% 1.0 1.9 6.0 18 18 A 44 GLN HA A 44 GLN HG2 1.0 1.7 3.3 19 19 A 44 GLN HG2 A 44 GLN HG3 1.0 1.4 2.2 20 20 A 44 GLN HG2 A 44 GLN HBx 1.0 1.9 4.1 21 21 A 44 GLN HG2 A 41 THR HB 1.0 1.9 4.3 22 21 A 44 GLN HG3 A 41 THR HB 1.0 1.9 4.3 23 22 A 44 GLN HA A 44 GLN HG3 1.0 1.9 4.3 24 23 A 44 GLN HG3 A 42 GLU HGy 1.0 0.0 6.0 25 24 A 44 GLN HBy A 44 GLN HG3 1.0 1.8 3.6 26 25 A 44 GLN HBx A 44 GLN HG3 1.0 1.6 3.0 27 26 A 41 THR HG2% A 44 GLN HG3 1.0 1.9 4.7 28 27 A 44 GLN HG2 A 60 ILE HD1% 1.0 2.0 6.0 29 27 A 60 ILE HD1% A 44 GLN HG3 1.0 2.0 6.0 30 28 A 44 GLN HG2 A 60 ILE HG1x 1.0 2.0 6.0 31 28 A 60 ILE HG1x A 44 GLN HG3 1.0 2.0 6.0 32 29 A 45 TYR HA A 59 LYS HA 1.0 1.7 3.1 33 30 A 45 TYR HB3 A 45 TYR HE% 1.0 2.0 6.0 34 31 A 45 TYR HE% A 45 TYR HBx 1.0 2.0 6.0 35 32 A 59 LYS HA A 45 TYR HBx 1.0 1.9 6.0 36 33 A 45 TYR HB3 A 45 TYR HBx 1.0 1.5 2.5 37 34 A 45 TYR HB3 A 57 LEU HDy% 1.0 1.9 4.1 38 34 A 45 TYR HB3 A 57 LEU HDx% 1.0 1.9 4.1 39 35 A 45 TYR HBx A 57 LEU HDy% 1.0 2.0 5.2 40 35 A 45 TYR HBx A 57 LEU HDx% 1.0 2.0 5.2 41 36 A 46 VAL HGy% A 46 VAL HGx% 1.0 0.0 6.0 42 37 A 46 VAL HGy% A 45 TYR HA 1.0 2.0 6.0 43 38 A 46 VAL HGx% A 45 TYR HA 1.0 2.0 5.0 44 39 A 46 VAL HA A 46 VAL HGy% 1.0 1.8 3.6 45 40 A 47 LEU HBx A 47 LEU HA 1.0 1.8 3.6 46 41 A 47 LEU HA A 47 LEU HBy 1.0 1.9 4.3 47 42 A 47 LEU HA A 47 LEU HDx% 1.0 2.0 6.0 48 43 A 57 LEU HDy% A 47 LEU HA 1.0 2.0 6.0 49 43 A 57 LEU HDx% A 47 LEU HA 1.0 2.0 6.0 50 44 A 47 LEU HBx A 55 TYR HBy 1.0 1.9 6.0 51 45 A 47 LEU HBx A 55 TYR HBx 1.0 1.8 3.8 52 46 A 47 LEU HBx A 47 LEU HG 1.0 1.9 4.1 53 47 A 47 LEU HBy A 55 TYR HBy 1.0 0.8 6.0 54 48 A 47 LEU HBx A 47 LEU HDy% 1.0 1.9 4.3 55 49 A 47 LEU HBy A 47 LEU HDy% 1.0 2.0 6.0 56 50 A 47 LEU HA A 47 LEU HG 1.0 1.9 4.1 57 51 A 55 TYR HBx A 47 LEU HG 1.0 1.9 6.0 58 52 A 47 LEU HBy A 47 LEU HG 1.0 1.7 3.1 59 53 A 47 LEU HDx% A 55 TYR HBy 1.0 2.0 6.0 60 54 A 55 TYR HBy A 47 LEU HDy% 1.0 2.0 6.0 61 55 A 46 VAL HB A 40 LEU HDx% 1.0 2.0 5.6 62 56 A 47 LEU HBy A 47 LEU HDx% 1.0 1.8 3.8 63 57 A 47 LEU HDx% A 47 LEU HG 1.0 1.7 3.5 64 58 A 47 LEU HG A 47 LEU HDy% 1.0 1.8 3.8 65 59 A 47 LEU HBx A 47 LEU HDx% 1.0 1.9 3.9 66 60 A 46 VAL HA A 47 LEU HA 1.0 2.0 5.0 67 61 A 47 LEU HDx% A 90 ALA HA 1.0 2.0 5.0 68 62 A 47 LEU HDx% A 47 LEU HDy% 1.0 1.7 3.1 69 63 A 48 CYS HBx A 48 CYS HBy 1.0 1.5 2.7 70 64 A 51 THR HG2% A 51 THR HB 1.0 1.8 3.6 71 65 A 52 ASP HBy A 52 ASP HA 1.0 1.7 3.3 72 66 A 52 ASP HA A 52 ASP HBx 1.0 1.9 4.1 73 67 A 52 ASP HBy A 52 ASP HBx 1.0 1.6 2.8 74 68 A 53 GLY HAx A 53 GLY HAy 1.0 1.5 2.5 75 69 A 54 LEU HBx A 54 LEU HA 1.0 1.8 3.6 76 70 A 54 LEU HA A 54 LEU HG 1.0 1.9 4.5 77 71 A 54 LEU HA A 54 LEU HDy% 1.0 0.0 6.0 78 72 A 52 ASP HBy A 54 LEU HDx% 1.0 0.0 6.0 79 73 A 52 ASP HBy A 54 LEU HDy% 1.0 2.0 6.0 80 74 A 54 LEU HBx A 54 LEU HBy 1.0 1.5 2.5 81 75 A 54 LEU HG A 54 LEU HBy 1.0 1.7 3.5 82 76 A 54 LEU HDx% A 54 LEU HBy 1.0 0.0 6.0 83 77 A 54 LEU HDy% A 54 LEU HBy 1.0 2.0 4.6 84 78 A 54 LEU HBx A 54 LEU HG 1.0 1.9 4.5 85 79 A 54 LEU HG A 54 LEU HDx% 1.0 1.5 2.7 86 80 A 54 LEU HG A 54 LEU HDy% 1.0 1.5 2.7 87 81 A 54 LEU HBx A 50 TRP HBx 1.0 1.9 6.0 88 82 A 54 LEU HDx% B 38 PRO HGx 1.0 0.0 6.0 89 82 A 54 LEU HDx% B 38 PRO HBy 1.0 0.0 6.0 90 83 A 54 LEU HBx A 54 LEU HDx% 1.0 1.7 3.3 91 84 A 54 LEU HBx A 54 LEU HDy% 1.0 1.7 3.3 92 85 A 57 LEU HBy A 57 LEU HA 1.0 1.8 3.8 93 86 A 57 LEU HA A 57 LEU HBx 1.0 1.9 4.5 94 87 A 57 LEU HA A 57 LEU HG 1.0 1.9 4.3 95 88 A 57 LEU HDx% A 57 LEU HA 1.0 1.8 4.0 96 89 A 57 LEU HDy% A 57 LEU HA 1.0 0.0 6.0 97 90 A 57 LEU HBy A 57 LEU HG 1.0 1.8 3.6 98 91 A 57 LEU HDx% A 57 LEU HBy 1.0 1.8 3.4 99 92 A 57 LEU HDy% A 57 LEU HBy 1.0 1.8 3.8 100 93 A 57 LEU HDy% A 57 LEU HG 1.0 1.7 3.1 101 94 A 57 LEU HBx A 57 LEU HG 1.0 1.8 3.4 102 95 A 57 LEU HDy% A 57 LEU HBx 1.0 1.8 3.8 103 96 A 57 LEU HDx% A 57 LEU HBx 1.0 1.8 4.0 104 97 A 47 LEU HDy% A 57 LEU HA 1.0 2.0 4.8 105 98 A 57 LEU HDx% A 57 LEU HDy% 1.0 0.0 6.0 106 99 A 59 LYS HA A 59 LYS HDx 1.0 2.0 6.0 107 100 A 59 LYS HBx A 45 TYR HD% 1.0 2.0 6.0 108 101 A 45 TYR HD% A 59 LYS HBy 1.0 2.0 5.2 109 102 A 45 TYR HE% A 59 LYS HBx 1.0 2.0 6.0 110 103 A 45 TYR HA A 59 LYS HBy 1.0 2.0 6.0 111 104 A 45 TYR HA A 59 LYS HBx 1.0 2.0 6.0 112 105 A 59 LYS HA A 59 LYS HBy 1.0 1.8 3.6 113 106 A 59 LYS HA A 59 LYS HBx 1.0 1.8 4.2 114 107 A 59 LYS HBy A 59 LYS HEx 1.0 2.0 6.0 115 108 A 59 LYS HBx A 59 LYS HEx 1.0 1.9 6.0 116 109 A 59 LYS HDx A 59 LYS HBx 1.0 1.9 4.5 117 110 A 59 LYS HBx A 59 LYS HBy 1.0 1.5 2.3 118 111 A 59 LYS HBx A 59 LYS HGy 1.0 1.8 3.6 119 112 A 59 LYS HBx A 59 LYS HGx 1.0 2.0 4.8 120 113 A 45 TYR HD% A 59 LYS HGx 1.0 2.0 6.0 121 114 A 45 TYR HE% A 59 LYS HGx 1.0 2.0 6.0 122 115 A 45 TYR HE% A 59 LYS HGy 1.0 0.0 6.0 123 116 A 45 TYR HA A 59 LYS HGy 1.0 1.9 6.0 124 117 A 59 LYS HA A 59 LYS HGx 1.0 1.8 3.8 125 118 A 59 LYS HGy A 43 GLY HAy 1.0 2.0 5.8 126 119 A 59 LYS HGx A 43 GLY HAx 1.0 1.9 6.0 127 120 A 59 LYS HGy A 43 GLY HAx 1.0 1.8 6.0 128 121 A 59 LYS HEx A 59 LYS HGx 1.0 2.0 4.6 129 122 A 59 LYS HEx A 59 LYS HGy 1.0 1.8 4.2 130 123 A 59 LYS HBy A 59 LYS HGx 1.0 1.8 3.8 131 124 A 59 LYS HBy A 59 LYS HGy 1.0 1.9 4.1 132 125 A 59 LYS HDx A 59 LYS HGx 1.0 1.9 3.9 133 126 A 59 LYS HGy A 59 LYS HGx 1.0 1.5 2.3 134 127 A 45 TYR HE% A 59 LYS HDy 1.0 2.0 5.2 135 128 A 45 TYR HD% A 59 LYS HDy 1.0 2.0 6.0 136 129 A 45 TYR HA A 59 LYS HDx 1.0 0.0 6.0 137 130 A 43 GLY HAy A 59 LYS HDy 1.0 2.0 6.0 138 131 A 43 GLY HAx A 59 LYS HDy 1.0 1.9 6.0 139 132 A 59 LYS HEx A 59 LYS HDy 1.0 1.7 3.3 140 133 A 59 LYS HBy A 59 LYS HDy 1.0 1.9 4.1 141 134 A 59 LYS HDx A 59 LYS HBy 1.0 1.6 3.0 142 135 A 59 LYS HDx A 59 LYS HDy 1.0 1.6 2.8 143 136 A 59 LYS HBx A 59 LYS HDy 1.0 2.0 5.0 144 137 A 59 LYS HDx A 59 LYS HGy 1.0 1.8 4.0 145 138 A 59 LYS HGy A 59 LYS HDy 1.0 1.8 3.8 146 139 A 59 LYS HGx A 59 LYS HDy 1.0 1.9 4.9 147 140 A 45 TYR HD% A 59 LYS HEy 1.0 0.0 6.0 148 141 A 45 TYR HE% A 59 LYS HEy 1.0 0.0 6.0 149 142 A 59 LYS HA A 59 LYS HEy 1.0 0.0 6.0 150 143 A 43 GLY HAy A 59 LYS HEy 1.0 1.8 3.6 151 144 A 43 GLY HAx A 59 LYS HEy 1.0 2.0 5.2 152 145 A 59 LYS HEx A 59 LYS HEy 1.0 1.7 3.3 153 146 A 59 LYS HDy A 59 LYS HEy 1.0 1.9 4.5 154 147 A 59 LYS HGy A 59 LYS HEy 1.0 1.9 4.3 155 148 A 59 LYS HGx A 59 LYS HEy 1.0 1.8 3.8 156 149 A 59 LYS HBx A 59 LYS HEy 1.0 2.0 6.0 157 150 A 60 ILE HA A 70 CYS HBy 1.0 2.0 6.0 158 151 A 60 ILE HD1% A 60 ILE HA 1.0 1.9 4.9 159 152 A 60 ILE HG1x A 60 ILE HA 1.0 1.9 3.9 160 153 A 60 ILE HG2% A 60 ILE HA 1.0 1.7 3.1 161 154 A 60 ILE HB A 60 ILE HG1y 1.0 1.8 4.0 162 155 A 60 ILE HD1% A 60 ILE HB 1.0 0.0 6.0 163 156 A 60 ILE HG1x A 60 ILE HB 1.0 1.8 3.6 164 157 A 60 ILE HG2% A 60 ILE HB 1.0 1.6 2.8 165 158 A 60 ILE HG1x A 70 CYS HBy 1.0 2.0 6.0 166 159 A 70 CYS HBy A 60 ILE HG1y 1.0 2.0 5.8 167 160 A 61 LYS HA A 61 LYS HBx 1.0 1.7 3.3 168 161 A 61 LYS HA A 61 LYS HBy 1.0 1.9 4.3 169 162 A 61 LYS HBx A 61 LYS HE2 1.0 1.9 4.7 170 163 A 61 LYS HBx A 71 LEU HBy 1.0 2.0 6.0 171 164 A 61 LYS HBx A 71 LEU HDy% 1.0 0.0 6.0 172 164 A 61 LYS HBy A 71 LEU HDy% 1.0 0.0 6.0 173 165 A 60 ILE HA A 61 LYS HBy 1.0 1.9 6.0 174 165 A 60 ILE HA A 61 LYS HBx 1.0 1.9 6.0 175 166 A 61 LYS HBx A 71 LEU HDx% 1.0 2.0 6.0 176 166 A 61 LYS HBy A 71 LEU HDx% 1.0 2.0 6.0 177 167 A 59 LYS HGy A 61 LYS HA 1.0 1.9 4.3 178 168 A 59 LYS HGx A 61 LYS HA 1.0 0.0 6.0 179 169 A 61 LYS HA A 61 LYS HG2 1.0 1.8 3.8 180 170 A 61 LYS HBx A 61 LYS HG2 1.0 1.5 2.5 181 171 A 61 LYS HBy A 61 LYS HG2 1.0 1.5 2.5 182 172 A 71 LEU HDy% A 61 LYS HG2 1.0 0.0 6.0 183 173 A 61 LYS HA A 61 LYS HDy 1.0 1.8 3.4 184 174 A 61 LYS HE2 A 61 LYS HDx 1.0 1.7 3.1 185 175 A 61 LYS HBx A 61 LYS HDy 1.0 0.0 6.0 186 176 A 61 LYS HBy A 61 LYS HDy 1.0 1.9 4.9 187 177 A 61 LYS HDy A 61 LYS HDx 1.0 1.8 3.6 188 178 A 61 LYS HBx A 61 LYS HDx 1.0 2.0 5.8 189 179 A 61 LYS HBy A 61 LYS HDx 1.0 0.0 6.0 190 180 A 61 LYS HG2 A 61 LYS HDx 1.0 1.5 2.5 191 181 A 61 LYS HG2 A 61 LYS HDy 1.0 1.7 3.3 192 182 A 71 LEU HDy% A 61 LYS HDx 1.0 0.0 6.0 193 183 A 71 LEU HDy% A 61 LYS HDy 1.0 0.0 6.0 194 184 A 61 LYS HA A 61 LYS HE2 1.0 1.9 4.3 195 185 A 61 LYS HE2 A 61 LYS HDy 1.0 1.6 2.8 196 186 A 61 LYS HBy A 61 LYS HE2 1.0 1.6 3.0 197 187 A 61 LYS HE2 A 61 LYS HG2 1.0 1.7 3.1 198 188 A 79 LYS HE2 A 71 LEU HG 1.0 2.0 5.0 199 189 A 71 LEU HDx% A 79 LYS HE2 1.0 2.0 4.8 200 190 A 42 GLU HGy A 62 ARG HA 1.0 2.0 6.0 201 191 A 62 ARG HA A 42 GLU HGx 1.0 1.9 4.1 202 192 A 62 ARG HA A 63 VAL HGx% 1.0 2.0 6.0 203 193 A 62 ARG HA A 62 ARG HBy 1.0 1.8 3.8 204 194 A 62 ARG HA A 62 ARG HBx 1.0 1.7 3.3 205 195 A 62 ARG HBy A 62 ARG HDx 1.0 1.9 4.5 206 196 A 62 ARG HBy A 62 ARG HBx 1.0 1.4 2.2 207 197 A 71 LEU HBy A 62 ARG HBy 1.0 1.9 4.5 208 198 A 71 LEU HBy A 62 ARG HBx 1.0 2.0 6.0 209 199 A 71 LEU HG A 62 ARG HBy 1.0 2.0 5.4 210 200 A 71 LEU HDy% A 62 ARG HBy 1.0 1.9 4.3 211 201 A 71 LEU HDy% A 62 ARG HBx 1.0 0.0 6.0 212 202 A 62 ARG HDy A 81 TRP HZ2 1.0 2.0 5.0 213 203 A 62 ARG HDx A 81 TRP HZ2 1.0 2.0 5.4 214 204 A 62 ARG HDy A 81 TRP HH2 1.0 1.9 4.3 215 205 A 62 ARG HDx A 81 TRP HH2 1.0 2.0 5.2 216 206 A 62 ARG HA A 62 ARG HDy 1.0 2.0 5.6 217 207 A 62 ARG HA A 62 ARG HDx 1.0 2.0 5.8 218 208 A 62 ARG HDx A 62 ARG HDy 1.0 1.3 2.2 219 209 A 62 ARG HBy A 62 ARG HDy 1.0 1.9 4.5 220 210 A 62 ARG HBx A 62 ARG HDy 1.0 1.9 4.3 221 211 A 62 ARG HBx A 62 ARG HDx 1.0 1.8 3.4 222 212 A 63 VAL HA A 84 TRP HZ2 1.0 1.9 6.0 223 213 A 63 VAL HA A 63 VAL HGy% 1.0 0.0 6.0 224 214 A 63 VAL HGx% A 63 VAL HA 1.0 0.0 6.0 225 215 A 60 ILE HG2% A 63 VAL HA 1.0 2.0 5.2 226 216 A 55 TYR HE% A 88 GLN HGy 1.0 2.0 5.2 227 216 A 88 GLN HGx A 55 TYR HE% 1.0 2.0 5.2 228 217 A 63 VAL HA A 63 VAL HB 1.0 1.8 3.6 229 218 A 63 VAL HGy% A 63 VAL HB 1.0 1.6 2.8 230 219 A 63 VAL HGx% A 63 VAL HB 1.0 1.6 2.8 231 220 A 60 ILE HG2% A 63 VAL HB 1.0 1.9 4.9 232 221 A 63 VAL HGx% A 84 TRP HZ2 1.0 0.0 6.0 233 222 A 63 VAL HGx% A 70 CYS HA 1.0 0.0 6.0 234 223 A 63 VAL HGx% A 41 THR HA 1.0 0.0 6.0 235 224 A 63 VAL HGx% A 70 CYS HBx 1.0 0.0 6.0 236 225 A 63 VAL HGx% A 63 VAL HGy% 1.0 0.0 6.0 237 226 A 60 ILE HG2% A 63 VAL HGx% 1.0 0.0 6.0 238 227 A 63 VAL HGy% A 84 TRP HH2 1.0 0.0 6.0 239 228 A 60 ILE HG2% A 63 VAL HGy% 1.0 0.0 6.0 240 229 A 63 VAL HGy% A 40 LEU HDy% 1.0 2.0 5.8 241 230 A 63 VAL HGx% A 40 LEU HDy% 1.0 0.0 6.0 242 231 A 78 SER HB2 A 80 TYR HE% 1.0 0.0 6.0 243 232 A 64 SER HBy A 64 SER HA 1.0 1.8 3.6 244 233 A 64 SER HA A 64 SER HBx 1.0 2.0 4.8 245 234 A 64 SER HBy A 64 SER HBx 1.0 1.6 2.6 246 235 A 66 SER HB2 A 66 SER HA 1.0 1.6 2.8 247 236 A 70 CYS HBy A 63 VAL HA 1.0 2.0 5.6 248 237 A 70 CYS HBy A 70 CYS HBx 1.0 1.5 2.5 249 238 A 63 VAL HGy% A 70 CYS HA 1.0 2.0 5.6 250 239 A 60 ILE HG2% A 70 CYS HA 1.0 2.0 5.6 251 240 A 70 CYS HBy A 63 VAL HGy% 1.0 0.0 6.0 252 241 A 63 VAL HGy% A 70 CYS HBx 1.0 2.0 6.0 253 242 A 60 ILE HD1% A 70 CYS HBy 1.0 0.0 6.0 254 243 A 60 ILE HD1% A 70 CYS HBx 1.0 0.0 6.0 255 244 A 60 ILE HG1x A 70 CYS HBx 1.0 0.0 6.0 256 244 A 60 ILE HG2% A 70 CYS HBx 1.0 0.0 6.0 257 245 A 72 VAL HB A 58 GLY HAx 1.0 2.0 6.0 258 246 A 72 VAL HB A 72 VAL HGy% 1.0 1.7 2.9 259 247 A 72 VAL HB A 72 VAL HGx% 1.0 1.8 3.6 260 248 A 72 VAL HGy% A 72 VAL HA 1.0 1.8 3.6 261 249 A 72 VAL HGx% A 72 VAL HA 1.0 1.9 4.7 262 250 A 58 GLY HAx A 72 VAL HGy% 1.0 0.0 6.0 263 251 A 60 ILE HA A 72 VAL HGy% 1.0 0.0 6.0 264 252 A 72 VAL HGy% A 72 VAL HGx% 1.0 0.0 6.0 265 253 A 73 THR HB A 79 LYS HA 1.0 2.0 6.0 266 254 A 73 THR HB A 73 THR HA 1.0 1.8 3.6 267 255 A 73 THR HA A 73 THR HG2% 1.0 1.7 3.1 268 256 A 78 SER HA A 77 ASN HA 1.0 2.0 6.0 269 257 A 73 THR HG2% A 77 ASN HA 1.0 0.0 6.0 270 258 A 74 PHE HBy A 74 PHE HA 1.0 2.0 5.0 271 259 A 74 PHE HA A 74 PHE HBx 1.0 1.9 4.3 272 260 A 74 PHE HBy A 74 PHE HBx 1.0 1.5 2.5 273 261 A 75 GLU HGy A 75 GLU HA 1.0 2.0 4.8 274 262 A 75 GLU HGx A 75 GLU HA 1.0 1.9 3.9 275 263 A 75 GLU HGy A 75 GLU HBx 1.0 1.8 4.0 276 264 A 75 GLU HGy A 75 GLU HBy 1.0 1.8 4.2 277 265 A 75 GLU HGy A 75 GLU HGx 1.0 1.5 2.5 278 266 A 75 GLU HGx A 75 GLU HBy 1.0 1.7 3.3 279 267 A 75 GLU HGx A 75 GLU HBx 1.0 1.8 3.8 280 268 A 75 GLU HBx A 75 GLU HBy 1.0 1.5 2.5 281 269 A 43 GLY HAy A 43 GLY HAx 1.0 1.4 2.4 282 270 A 59 LYS HEx A 43 GLY HAx 1.0 2.0 6.0 283 271 A 59 LYS HDx A 43 GLY HAx 1.0 1.8 6.0 284 272 A 59 LYS HGx A 43 GLY HAy 1.0 2.0 5.6 285 273 A 60 ILE HB A 42 GLU HA 1.0 1.8 3.4 286 274 A 42 GLU HA A 42 GLU HBx 1.0 1.9 3.9 287 275 A 60 ILE HG2% A 42 GLU HA 1.0 0.0 6.0 288 276 A 42 GLU HA A 42 GLU HBx 1.0 1.7 3.1 289 276 A 42 GLU HA A 42 GLU HBy 1.0 1.7 3.1 290 277 A 42 GLU HGy A 42 GLU HBy 1.0 1.8 3.8 291 277 A 42 GLU HGy A 42 GLU HBx 1.0 1.8 3.8 292 278 A 42 GLU HGx A 42 GLU HBx 1.0 1.7 3.5 293 278 A 42 GLU HGx A 42 GLU HBy 1.0 1.7 3.5 294 279 A 60 ILE HD1% A 42 GLU HBx 1.0 0.0 6.0 295 279 A 60 ILE HD1% A 42 GLU HBy 1.0 0.0 6.0 296 280 A 42 GLU HGy A 63 VAL HGx% 1.0 1.8 4.2 297 281 A 63 VAL HGx% A 42 GLU HBx 1.0 0.0 6.0 298 282 A 63 VAL HGx% A 42 GLU HBy 1.0 0.0 6.0 299 283 A 60 ILE HB A 63 VAL HGx% 1.0 0.0 6.0 300 284 A 42 GLU HGy A 41 THR HA 1.0 2.0 6.0 301 285 A 42 GLU HGy A 42 GLU HBx 1.0 1.8 3.8 302 286 A 42 GLU HGy A 42 GLU HBy 1.0 2.0 4.6 303 287 A 60 ILE HD1% A 42 GLU HGy 1.0 0.0 6.0 304 288 A 60 ILE HG2% A 42 GLU HGy 1.0 2.0 5.8 305 289 A 60 ILE HD1% A 42 GLU HGx 1.0 0.0 6.0 306 290 A 40 LEU HDx% A 40 LEU HA 1.0 1.7 3.1 307 291 A 40 LEU HA A 40 LEU HG 1.0 2.0 4.8 308 292 A 87 ILE HD1% A 84 TRP HA 1.0 0.0 6.0 309 293 A 40 LEU HDx% A 40 LEU HBx 1.0 1.8 3.6 310 294 A 40 LEU HDy% A 40 LEU HBy 1.0 1.9 3.7 311 295 A 40 LEU HBx A 40 LEU HBy 1.0 1.5 2.3 312 296 A 40 LEU HA A 40 LEU HBx 1.0 1.8 3.4 313 297 A 40 LEU HDx% A 40 LEU HDy% 1.0 0.0 6.0 314 298 A 40 LEU HDy% A 87 ILE HB 1.0 0.0 6.0 315 299 A 40 LEU HDy% A 40 LEU HG 1.0 1.7 3.1 316 300 A 40 LEU HDy% A 40 LEU HBx 1.0 1.8 3.6 317 301 A 87 ILE HG2% A 40 LEU HDy% 1.0 0.0 6.0 318 302 A 60 ILE HG2% A 40 LEU HDy% 1.0 0.0 6.0 319 303 A 40 LEU HDy% A 40 LEU HA 1.0 1.8 4.0 320 304 A 40 LEU HDy% A 84 TRP HD1 1.0 1.9 4.7 321 305 A 84 TRP HA A 84 TRP HBy 1.0 1.9 3.9 322 306 A 40 LEU HDy% A 84 TRP HA 1.0 2.0 5.4 323 307 A 84 TRP HA A 84 TRP HBx 1.0 1.9 4.5 324 308 A 40 LEU HDy% A 84 TRP HBx 1.0 2.0 4.8 325 309 A 84 TRP HD1 A 84 TRP HBy 1.0 2.0 5.8 326 309 A 84 TRP HD1 A 84 TRP HBx 1.0 2.0 5.8 327 310 A 40 LEU HDy% A 87 ILE HD1% 1.0 0.0 6.0 328 311 A 41 THR HG2% A 41 THR HB 1.0 0.0 6.0 329 312 A 41 THR HB A 63 VAL HGx% 1.0 0.0 6.0 330 313 A 41 THR HG2% A 41 THR HA 1.0 1.7 2.9 331 314 A 44 GLN HG2 A 41 THR HG2% 1.0 0.0 6.0 332 315 A 44 GLN HG2 A 41 THR HB 1.0 2.0 5.8 333 316 A 44 GLN HG3 A 41 THR HB 1.0 2.0 4.6 334 317 A 44 GLN HBy A 41 THR HB 1.0 1.9 6.0 335 318 A 44 GLN HBx A 41 THR HB 1.0 2.0 6.0 336 319 A 41 THR HB A 41 THR HA 1.0 1.6 3.0 337 320 A 39 LYS HA A 39 LYS HBy 1.0 1.7 3.3 338 321 A 39 LYS HA A 39 LYS HBx 1.0 1.7 3.5 339 322 A 39 LYS HBy A 39 LYS HGy 1.0 1.9 3.9 340 323 A 39 LYS HBy A 39 LYS HGx 1.0 1.8 3.8 341 324 A 39 LYS HBx A 39 LYS HGy 1.0 1.9 3.9 342 325 A 39 LYS HA A 39 LYS HGx 1.0 1.8 4.0 343 325 A 39 LYS HA A 39 LYS HGy 1.0 1.8 4.0 344 326 A 39 LYS HGy A 39 LYS HE2 1.0 1.9 4.3 345 326 A 39 LYS HGx A 39 LYS HE2 1.0 1.9 4.3 346 327 A 39 LYS HBy A 39 LYS HGy 1.0 1.8 3.4 347 327 A 39 LYS HBy A 39 LYS HGx 1.0 1.8 3.4 348 328 A 39 LYS HGy A 39 LYS HD2 1.0 1.6 2.8 349 328 A 39 LYS HBx A 39 LYS HGy 1.0 1.6 2.8 350 329 A 39 LYS HA A 39 LYS HD2 1.0 1.8 3.8 351 330 A 39 LYS HE2 A 39 LYS HD2 1.0 1.7 2.9 352 331 A 38 SER HB2 A 38 SER HA 1.0 1.7 3.1 353 332 A 87 ILE HG2% A 87 ILE HG1y 1.0 1.9 3.9 354 333 A 87 ILE HG2% A 87 ILE HB 1.0 1.7 2.9 355 334 A 46 VAL HGy% A 89 HIS HA 1.0 2.0 5.8 356 335 A 46 VAL HB A 89 HIS HA 1.0 2.0 6.0 357 336 A 89 HIS HA A 89 HIS HBy 1.0 1.8 3.4 358 336 A 89 HIS HA A 89 HIS HBx 1.0 1.8 3.4 359 337 A 47 LEU HBy A 55 TYR HD% 1.0 2.0 5.0 360 338 A 47 LEU HBx A 55 TYR HE% 1.0 1.9 6.0 361 339 A 47 LEU HG A 55 TYR HD% 1.0 2.0 6.0 362 340 A 55 TYR HBx A 55 TYR HE% 1.0 2.0 6.0 363 341 A 55 TYR HBx A 55 TYR HA 1.0 1.9 4.1 364 342 A 47 LEU HBy A 55 TYR HBx 1.0 2.0 6.0 365 343 A 55 TYR HBx A 47 LEU HDy% 1.0 2.0 5.4 366 344 A 55 TYR HBy A 55 TYR HA 1.0 2.0 5.4 367 345 A 47 LEU HDx% A 55 TYR HD% 1.0 2.0 6.0 368 346 A 47 LEU HDy% A 57 LEU HBx 1.0 1.9 6.0 369 347 A 45 TYR HE% A 57 LEU HG 1.0 0.0 6.0 370 348 A 57 LEU HG A 45 TYR HD% 1.0 0.0 6.0 371 349 A 45 TYR HE% A 57 LEU HDx% 1.0 0.0 6.0 372 350 A 57 LEU HDx% A 45 TYR HD% 1.0 0.0 6.0 373 351 A 57 LEU HDy% A 45 TYR HD% 1.0 0.0 6.0 374 352 A 45 TYR HE% A 57 LEU HDy% 1.0 0.0 6.0 375 353 A 45 TYR HA A 57 LEU HDy% 1.0 0.0 6.0 376 354 A 45 TYR HB3 A 57 LEU HDy% 1.0 0.0 6.0 377 355 A 45 TYR HBx A 57 LEU HDy% 1.0 0.0 6.0 378 356 A 48 CYS HA A 82 VAL HGy% 1.0 0.0 6.0 379 357 A 48 CYS HA A 87 ILE HG1x 1.0 2.0 6.0 380 358 A 48 CYS HA A 87 ILE HA 1.0 1.8 3.6 381 359 A 48 CYS HBy A 82 VAL HGx% 1.0 2.0 6.0 382 360 A 48 CYS HBx A 82 VAL HGy% 1.0 0.0 6.0 383 361 A 48 CYS HBx A 82 VAL HGx% 1.0 0.0 6.0 384 362 A 55 TYR HE% A 49 ARG HA 1.0 2.0 6.0 385 363 A 49 ARG HBx A 49 ARG HGy 1.0 1.9 4.5 386 364 A 49 ARG HGy A 49 ARG HBy 1.0 1.8 3.6 387 365 A 49 ARG HBx A 49 ARG HBy 1.0 1.5 2.7 388 366 A 49 ARG HBy A 49 ARG HDy 1.0 2.0 5.0 389 367 A 55 TYR HD% A 49 ARG HBx 1.0 1.9 6.0 390 368 A 49 ARG HBx A 86 ASP HBx 1.0 1.7 3.3 391 369 A 49 ARG HBy A 86 ASP HBx 1.0 1.9 6.0 392 370 A 86 ASP HBx A 86 ASP HBy 1.0 1.5 2.5 393 371 A 86 ASP HBy A 86 ASP HA 1.0 1.8 4.0 394 372 A 49 ARG HBy A 86 ASP HBy 1.0 1.8 6.0 395 373 A 49 ARG HA A 49 ARG HGy 1.0 1.8 4.0 396 374 A 49 ARG HGy A 49 ARG HDy 1.0 1.9 4.3 397 375 A 49 ARG HA A 49 ARG HGx 1.0 1.9 4.5 398 376 A 49 ARG HDy A 49 ARG HGx 1.0 1.8 3.6 399 377 A 49 ARG HBy A 49 ARG HGx 1.0 1.9 4.5 400 378 A 49 ARG HGy A 49 ARG HGx 1.0 1.4 2.4 401 379 A 49 ARG HBx A 49 ARG HGx 1.0 1.7 3.5 402 380 A 55 TYR HE% A 49 ARG HGx 1.0 2.0 6.0 403 381 A 55 TYR HE% A 49 ARG HDy 1.0 2.0 4.8 404 381 A 55 TYR HE% A 49 ARG HDx 1.0 2.0 4.8 405 382 A 53 GLY HAy A 49 ARG HDy 1.0 2.0 6.0 406 382 A 53 GLY HAy A 49 ARG HDx 1.0 2.0 6.0 407 383 A 49 ARG HA A 49 ARG HDy 1.0 2.0 6.0 408 383 A 49 ARG HA A 49 ARG HDx 1.0 2.0 6.0 409 384 A 53 GLY HAx A 49 ARG HDx 1.0 2.0 6.0 410 385 A 49 ARG HBy A 49 ARG HDy 1.0 1.8 3.8 411 385 A 49 ARG HBy A 49 ARG HDx 1.0 1.8 3.8 412 386 A 49 ARG HGy A 49 ARG HDx 1.0 1.7 3.5 413 386 A 49 ARG HGy A 49 ARG HDy 1.0 1.7 3.5 414 387 A 49 ARG HBx A 49 ARG HDx 1.0 1.9 3.9 415 387 A 49 ARG HBx A 49 ARG HDy 1.0 1.9 3.9 416 388 A 49 ARG HDy A 49 ARG HGx 1.0 1.7 3.5 417 388 A 49 ARG HGx A 49 ARG HDx 1.0 1.7 3.5 418 389 A 53 GLY HAx A 49 ARG HDy 1.0 1.9 6.0 419 389 A 53 GLY HAx A 49 ARG HDx 1.0 1.9 6.0 420 390 A 54 LEU HA A 55 TYR HD% 1.0 0.0 6.0 421 391 A 54 LEU HA A 55 TYR HE% 1.0 0.0 6.0 422 392 A 52 ASP HBx A 54 LEU HDx% 1.0 2.0 5.6 423 393 A 54 LEU HDy% A 50 TRP HD1 1.0 0.0 6.0 424 394 A 81 TRP HA A 81 TRP HD1 1.0 2.0 6.0 425 395 A 71 LEU HDx% A 81 TRP HA 1.0 0.0 6.0 426 396 A 72 VAL HGx% A 58 GLY HAy 1.0 2.0 6.0 427 397 A 72 VAL HGx% A 74 PHE HZ 1.0 2.0 6.0 428 398 A 60 ILE HG1x A 70 CYS HBx 1.0 2.0 6.0 429 399 A 46 VAL HGx% A 60 ILE HG1x 1.0 1.9 4.5 430 400 A 60 ILE HA A 72 VAL HA 1.0 1.7 3.3 431 401 A 60 ILE HA A 72 VAL HGx% 1.0 2.0 5.0 432 402 A 60 ILE HA A 72 VAL HB 1.0 1.9 6.0 433 403 A 71 LEU HBy A 71 LEU HBx 1.0 1.5 2.5 434 404 A 71 LEU HA A 81 TRP HE3 1.0 2.0 4.8 435 405 A 71 LEU HA A 81 TRP HZ3 1.0 2.0 6.0 436 406 A 81 TRP HA A 71 LEU HA 1.0 1.7 2.9 437 407 A 71 LEU HA A 81 TRP HBy 1.0 2.0 6.0 438 408 A 71 LEU HA A 81 TRP HBx 1.0 2.0 6.0 439 409 A 71 LEU HDx% A 71 LEU HA 1.0 0.0 6.0 440 410 A 71 LEU HBy A 81 TRP HA 1.0 2.0 6.0 441 411 A 71 LEU HBy A 71 LEU HDx% 1.0 1.8 3.6 442 412 A 71 LEU HDy% A 71 LEU HG 1.0 1.7 2.9 443 413 A 71 LEU HG A 79 LYS HGx 1.0 2.0 6.0 444 413 A 71 LEU HG A 79 LYS HB2 1.0 2.0 6.0 445 414 A 61 LYS HBx A 71 LEU HG 1.0 1.8 4.0 446 415 A 71 LEU HG A 81 TRP HA 1.0 1.9 6.0 447 416 A 71 LEU HDy% A 71 LEU HDx% 1.0 0.0 6.0 448 417 A 71 LEU HDx% A 71 LEU HG 1.0 1.6 2.8 449 418 A 71 LEU HDx% A 79 LYS HGx 1.0 1.9 4.1 450 418 A 71 LEU HDx% A 79 LYS HB2 1.0 1.9 4.1 451 419 A 61 LYS HBx A 71 LEU HDx% 1.0 0.0 6.0 452 420 A 71 LEU HDx% A 81 TRP HD1 1.0 0.0 6.0 453 421 A 71 LEU HDy% A 81 TRP HA 1.0 0.0 6.0 454 422 A 71 LEU HDy% A 81 TRP HZ3 1.0 0.0 6.0 455 423 A 71 LEU HDy% A 81 TRP HH2 1.0 2.0 5.6 456 424 A 71 LEU HDy% A 62 ARG HDx 1.0 2.0 4.8 457 425 A 71 LEU HDy% A 62 ARG HGy 1.0 0.0 6.0 458 425 A 71 LEU HDy% A 62 ARG HBx 1.0 0.0 6.0 459 426 A 61 LYS HBx A 71 LEU HDy% 1.0 0.0 6.0 460 427 A 61 LYS HBy A 71 LEU HDy% 1.0 0.0 6.0 461 428 A 62 ARG HDy A 62 ARG HGy 1.0 1.9 4.1 462 429 A 62 ARG HDx A 62 ARG HGy 1.0 1.8 3.6 463 430 A 71 LEU HDy% A 62 ARG HGy 1.0 0.0 6.0 464 431 A 71 LEU HBx A 62 ARG HGy 1.0 2.0 6.0 465 432 A 62 ARG HBy A 71 LEU HBx 1.0 1.8 3.6 466 433 A 69 SER HA A 83 LEU HA 1.0 1.7 2.9 467 434 A 69 SER HA A 69 SER HBx 1.0 1.9 3.7 468 435 A 69 SER HA A 83 LEU HB2 1.0 2.0 6.0 469 435 A 69 SER HA A 83 LEU HG 1.0 2.0 6.0 470 436 A 69 SER HA A 83 LEU HDx% 1.0 0.0 6.0 471 437 A 81 TRP HZ3 A 69 SER HBx 1.0 2.0 6.0 472 438 A 83 LEU HA A 69 SER HBx 1.0 2.0 5.0 473 439 A 69 SER HBx A 69 SER HBy 1.0 1.5 2.5 474 440 A 81 TRP HBx A 69 SER HBx 1.0 1.8 6.0 475 441 A 69 SER HBx A 67 LYS HBy 1.0 2.0 4.8 476 442 A 69 SER HBx A 83 LEU HDx% 1.0 0.0 6.0 477 443 A 69 SER HBy A 67 LYS HBy 1.0 2.0 6.0 478 444 A 83 LEU HDx% A 69 SER HBy 1.0 0.0 6.0 479 445 A 83 LEU HA A 83 LEU HDx% 1.0 1.9 4.7 480 446 A 83 LEU HA A 83 LEU HB2 1.0 1.9 4.1 481 447 A 69 SER HBx A 83 LEU HG 1.0 2.0 4.8 482 448 A 83 LEU HG A 83 LEU HDx% 1.0 1.7 3.1 483 449 A 83 LEU HA A 83 LEU HDy% 1.0 1.8 3.8 484 450 A 69 SER HA A 83 LEU HDy% 1.0 2.0 5.8 485 451 A 83 LEU HDy% A 85 LYS HE2 1.0 0.0 6.0 486 451 A 83 LEU HDy% A 85 LYS HE3 1.0 0.0 6.0 487 452 A 83 LEU HDy% A 85 LYS HGy 1.0 0.0 6.0 488 453 A 83 LEU HDy% A 85 LYS HDy 1.0 0.0 6.0 489 454 A 83 LEU HDy% A 85 LYS HGx 1.0 2.0 5.4 490 455 A 72 VAL HGy% A 82 VAL HGy% 1.0 0.0 6.0 491 456 A 72 VAL HGy% A 82 VAL HGx% 1.0 0.0 6.0 492 457 A 59 LYS HBx A 73 THR HB 1.0 2.0 4.8 493 458 A 59 LYS HBy A 73 THR HB 1.0 1.9 6.0 494 459 A 61 LYS HDy A 73 THR HB 1.0 2.0 6.0 495 459 A 61 LYS HBx A 73 THR HB 1.0 2.0 6.0 496 460 A 73 THR HG2% A 77 ASN HB2 1.0 0.0 6.0 497 461 A 57 LEU HDy% A 75 GLU HGy 1.0 0.0 6.0 498 461 A 57 LEU HDx% A 75 GLU HGy 1.0 0.0 6.0 499 462 A 57 LEU HDy% A 75 GLU HGx 1.0 0.0 6.0 500 462 A 57 LEU HDx% A 75 GLU HGx 1.0 0.0 6.0 501 463 A 73 THR HB A 77 ASN HA 1.0 2.0 6.0 502 464 A 77 ASN HB2 A 76 ASP HA 1.0 2.0 5.4 503 465 A 77 ASN HA A 77 ASN HB2 1.0 1.6 2.6 504 466 A 78 SER HB2 A 78 SER HA 1.0 1.8 4.0 505 467 A 71 LEU HDx% A 79 LYS HB2 1.0 1.9 3.9 506 468 A 79 LYS HE2 A 79 LYS HB2 1.0 1.9 4.5 507 469 A 73 THR HA A 79 LYS HGx 1.0 1.8 3.4 508 470 A 73 THR HB A 79 LYS HGx 1.0 2.0 6.0 509 471 A 79 LYS HE2 A 79 LYS HGx 1.0 1.8 3.6 510 472 A 71 LEU HDy% A 79 LYS HGx 1.0 0.0 6.0 511 473 A 71 LEU HDx% A 79 LYS HGx 1.0 2.0 5.2 512 474 A 71 LEU HDx% A 79 LYS HDx 1.0 0.0 6.0 513 475 A 71 LEU HDx% A 79 LYS HDy 1.0 2.0 6.0 514 476 A 79 LYS HE2 A 79 LYS HDx 1.0 1.8 3.8 515 477 A 79 LYS HE2 A 79 LYS HDy 1.0 1.9 4.1 516 478 A 79 LYS HA A 79 LYS HDx 1.0 2.0 6.0 517 479 A 71 LEU HDy% A 79 LYS HDy 1.0 2.0 5.8 518 480 A 82 VAL HGx% A 82 VAL HA 1.0 0.0 6.0 519 481 A 82 VAL HA A 82 VAL HB 1.0 1.8 3.6 520 482 A 82 VAL HGy% A 82 VAL HB 1.0 1.7 2.9 521 483 A 82 VAL HGx% A 82 VAL HB 1.0 1.6 2.8 522 484 A 87 ILE HG1x A 82 VAL HB 1.0 2.0 5.6 523 485 A 87 ILE HD1% A 82 VAL HB 1.0 1.7 3.1 524 486 A 72 VAL HGy% A 82 VAL HB 1.0 0.0 6.0 525 487 A 70 CYS HBy A 82 VAL HB 1.0 2.0 6.0 526 488 A 70 CYS HBx A 82 VAL HB 1.0 1.9 6.0 527 489 A 87 ILE HD1% A 82 VAL HA 1.0 1.9 6.0 528 490 A 82 VAL HGy% A 74 PHE HZ 1.0 0.0 6.0 529 491 A 82 VAL HGx% A 50 TRP HZ3 1.0 2.0 5.2 530 492 A 82 VAL HGx% A 81 TRP HA 1.0 0.0 6.0 531 493 A 48 CYS HBy A 82 VAL HGy% 1.0 2.0 5.6 532 494 A 82 VAL HGy% A 80 TYR HBx 1.0 2.0 4.8 533 495 A 72 VAL HB A 82 VAL HGy% 1.0 0.0 6.0 534 496 A 82 VAL HGy% A 86 ASP HBy 1.0 0.0 6.0 535 497 A 82 VAL HGy% A 86 ASP HBx 1.0 0.0 6.0 536 498 A 82 VAL HGy% A 81 TRP HA 1.0 2.0 5.0 537 499 A 87 ILE HB A 82 VAL HGy% 1.0 0.0 6.0 538 500 A 87 ILE HD1% A 82 VAL HGy% 1.0 0.0 6.0 539 501 A 83 LEU HG A 83 LEU HDy% 1.0 1.5 2.5 540 502 A 83 LEU HB2 A 83 LEU HDx% 1.0 1.7 3.1 541 503 A 85 LYS HA A 85 LYS HDx 1.0 1.9 6.0 542 504 A 85 LYS HA A 85 LYS HBy 1.0 1.6 3.0 543 505 A 85 LYS HA A 85 LYS HBx 1.0 1.7 3.1 544 506 A 85 LYS HGx A 85 LYS HBy 1.0 1.7 3.3 545 507 A 85 LYS HGx A 85 LYS HBx 1.0 1.9 4.3 546 508 A 85 LYS HGy A 85 LYS HBx 1.0 1.7 3.5 547 509 A 83 LEU HDx% A 85 LYS HBx 1.0 1.9 6.0 548 510 A 83 LEU HDx% A 85 LYS HBy 1.0 1.9 6.0 549 511 A 85 LYS HE3 A 85 LYS HGy 1.0 2.0 6.0 550 512 A 85 LYS HE2 A 85 LYS HGx 1.0 2.0 5.0 551 513 A 85 LYS HGy A 85 LYS HBy 1.0 2.0 4.6 552 514 A 83 LEU HB2 A 85 LYS HGx 1.0 1.8 3.8 553 515 A 85 LYS HDy A 85 LYS HGx 1.0 1.9 4.3 554 516 A 85 LYS HGx A 85 LYS HDx 1.0 1.8 3.6 555 517 A 85 LYS HGy A 85 LYS HDx 1.0 1.7 3.3 556 518 A 83 LEU HB2 A 85 LYS HGy 1.0 1.9 3.7 557 519 A 85 LYS HGy A 85 LYS HDy 1.0 1.8 3.6 558 520 A 85 LYS HE3 A 85 LYS HDy 1.0 1.9 4.7 559 521 A 85 LYS HE2 A 85 LYS HDx 1.0 2.0 5.0 560 522 A 83 LEU HDy% A 85 LYS HDx 1.0 0.0 6.0 561 523 A 85 LYS HDy A 85 LYS HA 1.0 1.9 6.0 562 524 A 85 LYS HE2 A 85 LYS HDy 1.0 1.7 3.5 563 525 A 85 LYS HE3 A 85 LYS HDx 1.0 1.8 3.6 564 526 A 85 LYS HE3 A 85 LYS HBx 1.0 2.0 4.8 565 526 A 85 LYS HE2 A 85 LYS HBx 1.0 2.0 4.8 566 527 A 85 LYS HE3 A 85 LYS HGy 1.0 1.9 4.7 567 527 A 85 LYS HE2 A 85 LYS HGy 1.0 1.9 4.7 568 528 A 85 LYS HE3 A 85 LYS HGx 1.0 1.9 3.9 569 528 A 85 LYS HE2 A 85 LYS HGx 1.0 1.9 3.9 570 529 A 87 ILE HD1% A 87 ILE HB 1.0 0.0 6.0 571 530 A 87 ILE HB A 87 ILE HG1y 1.0 1.9 4.1 572 531 A 84 TRP HA A 87 ILE HB 1.0 1.8 3.8 573 532 A 87 ILE HB A 87 ILE HA 1.0 1.9 4.3 574 533 A 87 ILE HB A 84 TRP HD1 1.0 2.0 6.0 575 534 A 87 ILE HG1x A 87 ILE HA 1.0 1.9 4.3 576 535 A 82 VAL HGy% A 87 ILE HG1x 1.0 2.0 5.4 577 536 A 87 ILE HG1y A 87 ILE HG1x 1.0 1.6 2.6 578 537 A 87 ILE HG1y A 82 VAL HGy% 1.0 0.0 6.0 579 538 A 84 TRP HA A 87 ILE HG1y 1.0 2.0 6.0 580 539 A 87 ILE HG1y A 87 ILE HA 1.0 1.8 4.0 581 540 A 87 ILE HG2% A 84 TRP HD1 1.0 0.0 6.0 582 541 A 87 ILE HG2% A 48 CYS HA 1.0 1.9 5.1 583 542 A 87 ILE HG2% A 87 ILE HA 1.0 1.7 3.3 584 543 A 87 ILE HG2% A 84 TRP HA 1.0 2.0 5.4 585 544 A 87 ILE HG2% A 87 ILE HG1x 1.0 1.9 4.5 586 545 A 87 ILE HG2% A 40 LEU HG 1.0 0.0 6.0 587 546 A 87 ILE HG2% A 82 VAL HGy% 1.0 0.0 6.0 588 547 A 87 ILE HD1% A 87 ILE HA 1.0 2.0 5.4 589 548 A 70 CYS HBy A 87 ILE HD1% 1.0 1.8 3.6 590 549 A 70 CYS HBx A 87 ILE HD1% 1.0 0.0 6.0 591 550 A 87 ILE HD1% A 87 ILE HG1y 1.0 1.7 3.1 592 551 A 87 ILE HD1% A 40 LEU HBy 1.0 0.0 6.0 593 552 A 87 ILE HD1% A 87 ILE HG1x 1.0 1.6 3.0 594 553 A 60 ILE HD1% A 42 GLU HA 1.0 0.0 6.0 595 554 A 60 ILE HD1% A 44 GLN HG3 1.0 2.0 6.0 596 555 A 44 GLN HG2 A 60 ILE HD1% 1.0 0.0 6.0 597 556 A 60 ILE HD1% A 60 ILE HG1y 1.0 1.5 2.7 598 557 A 60 ILE HG1x A 60 ILE HD1% 1.0 1.5 2.5 599 558 A 60 ILE HD1% A 60 ILE HG2% 1.0 0.0 6.0 600 559 A 46 VAL HGx% A 60 ILE HD1% 1.0 0.0 6.0 601 560 A 60 ILE HG2% A 62 ARG HA 1.0 2.0 4.6 602 561 A 60 ILE HG2% A 41 THR HA 1.0 0.0 6.0 603 562 A 60 ILE HG2% A 70 CYS HBy 1.0 0.0 6.0 604 563 A 60 ILE HG2% A 42 GLU HGx 1.0 1.9 4.1 605 564 A 60 ILE HG2% A 42 GLU HBy 1.0 2.0 5.4 606 565 A 60 ILE HG2% A 60 ILE HG1y 1.0 1.7 3.3 607 566 A 88 GLN HGx A 88 GLN HA 1.0 2.0 5.8 608 567 A 88 GLN HA A 88 GLN HBy 1.0 1.8 3.8 609 568 A 88 GLN HA A 88 GLN HBx 1.0 1.9 3.7 610 569 A 47 LEU HBy A 88 GLN HBy 1.0 0.0 6.0 611 570 A 47 LEU HBy A 88 GLN HBx 1.0 1.9 4.3 612 571 A 47 LEU HBx A 88 GLN HBy 1.0 0.0 6.0 613 572 A 47 LEU HBx A 88 GLN HBx 1.0 1.9 4.5 614 573 A 47 LEU HDx% A 88 GLN HBy 1.0 0.0 6.0 615 574 A 47 LEU HDx% A 88 GLN HBx 1.0 2.0 6.0 616 575 A 55 TYR HE% A 88 GLN HBy 1.0 2.0 5.6 617 576 A 55 TYR HE% A 88 GLN HBx 1.0 1.9 4.7 618 577 A 55 TYR HD% A 88 GLN HBx 1.0 1.9 4.5 619 578 A 88 GLN HGy A 55 TYR HD% 1.0 0.0 6.0 620 578 A 88 GLN HGx A 55 TYR HD% 1.0 0.0 6.0 621 579 A 88 GLN HGx A 88 GLN HA 1.0 1.9 4.1 622 579 A 88 GLN HGy A 88 GLN HA 1.0 1.9 4.1 623 580 A 88 GLN HGy A 88 GLN HBx 1.0 1.8 3.4 624 580 A 88 GLN HGx A 88 GLN HBx 1.0 1.8 3.4 625 581 A 47 LEU HBy A 88 GLN HGy 1.0 2.0 5.4 626 581 A 47 LEU HBy A 88 GLN HGx 1.0 2.0 5.4 627 582 A 47 LEU HDx% A 88 GLN HGy 1.0 2.0 5.8 628 582 A 47 LEU HDx% A 88 GLN HGx 1.0 2.0 5.8 629 583 A 89 HIS HBx A 89 HIS HD2 1.0 0.0 6.0 630 584 A 89 HIS HA A 89 HIS HBx 1.0 1.8 3.6 631 585 A 90 ALA HA A 89 HIS HBx 1.0 2.0 5.8 632 586 A 47 LEU HBy A 90 ALA HA 1.0 0.0 6.0 633 587 A 47 LEU HG A 90 ALA HA 1.0 1.9 4.5 634 588 A 90 ALA HB% A 90 ALA HA 1.0 1.6 2.8 635 589 A 90 ALA HB% A 45 TYR HB3 1.0 1.9 4.3 636 590 A 90 ALA HB% A 45 TYR HBx 1.0 1.9 4.3 637 591 A 90 ALA HB% A 57 LEU HDx% 1.0 0.0 6.0 638 591 A 90 ALA HB% A 57 LEU HDy% 1.0 0.0 6.0 639 592 A 90 ALA HB% A 47 LEU HDx% 1.0 2.0 5.2 640 592 A 90 ALA HB% A 47 LEU HDy% 1.0 2.0 5.2 641 593 A 90 ALA HB% A 47 LEU HBy 1.0 0.0 6.0 642 594 A 90 ALA HB% A 47 LEU HDy% 1.0 0.0 6.0 643 595 A 90 ALA HB% A 47 LEU HDx% 1.0 2.0 6.0 644 596 A 90 ALA HB% A 57 LEU HDy% 1.0 0.0 6.0 645 597 A 90 ALA HB% A 45 TYR HD% 1.0 0.0 6.0 646 598 A 93 PRO HA A 93 PRO HB2 1.0 2.0 5.2 647 599 A 93 PRO HA A 93 PRO HG2 1.0 2.0 6.0 648 600 A 93 PRO HG2 A 93 PRO HDy 1.0 1.9 3.9 649 601 A 93 PRO HG2 A 93 PRO HDx 1.0 2.0 5.4 650 602 A 93 PRO HDy A 92 VAL HGy% 1.0 2.0 6.0 651 603 A 93 PRO HDx A 92 VAL HGy% 1.0 2.0 6.0 652 604 A 63 VAL HGy% A 65 SER HA 1.0 2.0 6.0 653 605 A 63 VAL HGy% A 65 SER HB2 1.0 0.0 6.0 654 606 A 50 TRP HBx A 56 TYR HD% 1.0 0.0 6.0 655 607 A 92 VAL HGy% A 92 VAL HA 1.0 1.8 3.8 656 608 A 92 VAL HA A 92 VAL HB 1.0 1.8 3.6 657 609 A 93 PRO HDx A 92 VAL HA 1.0 1.6 3.0 658 610 A 93 PRO HDy A 92 VAL HA 1.0 1.7 3.3 659 611 A 92 VAL HGy% A 92 VAL HB 1.0 0.0 6.0 660 612 A 93 PRO HDx A 92 VAL HB 1.0 2.0 5.4 661 613 A 93 PRO HDy A 92 VAL HB 1.0 1.8 3.8 662 614 A 93 PRO HB2 A 92 VAL HGy% 1.0 0.0 6.0 663 615 A 93 PRO HB2 A 94 GLY HAx 1.0 2.0 5.8 664 616 A 92 VAL HGy% A 94 GLY HAx 1.0 0.0 6.0 665 617 A 95 GLU HG2 A 95 GLU HA 1.0 2.0 5.2 666 618 A 62 ARG HBy A 81 TRP HH2 1.0 2.0 4.6 667 619 A 67 LYS HGy A 67 LYS HA 1.0 2.0 4.4 668 620 A 67 LYS HBy A 67 LYS HA 1.0 1.8 3.6 669 621 A 67 LYS HA A 67 LYS HGx 1.0 1.8 4.0 670 622 A 66 SER HB2 A 67 LYS HGy 1.0 1.9 5.1 671 623 A 67 LYS HA A 67 LYS HBx 1.0 2.0 5.0 672 624 A 67 LYS HA A 67 LYS HD2 1.0 2.0 5.2 673 625 A 66 SER HB2 A 67 LYS HD2 1.0 2.0 4.4 674 626 A 67 LYS HBy A 67 LYS HE2 1.0 2.0 6.0 675 627 A 67 LYS HD2 A 67 LYS HE2 1.0 1.9 4.1 676 628 A 67 LYS HGx A 67 LYS HE2 1.0 1.9 5.1 677 629 A 67 LYS HGy A 67 LYS HE2 1.0 2.0 4.8 678 630 A 67 LYS HBx A 67 LYS HE2 1.0 2.0 6.0 679 631 A 69 SER HBx A 67 LYS HBx 1.0 2.0 5.6 680 632 A 45 TYR HBx A 45 TYR HD% 1.0 1.8 4.2 681 633 A 57 LEU HDy% A 45 TYR HD% 1.0 0.0 6.0 682 633 A 57 LEU HDx% A 45 TYR HD% 1.0 0.0 6.0 683 634 A 45 TYR HE% A 57 LEU HDy% 1.0 0.0 6.0 684 634 A 45 TYR HE% A 57 LEU HDx% 1.0 0.0 6.0 685 635 A 55 TYR HE% A 55 TYR HA 1.0 1.9 4.9 686 636 A 55 TYR HE% A 86 ASP HA 1.0 2.0 6.0 687 637 A 55 TYR HE% A 49 ARG HDx 1.0 2.0 5.6 688 638 A 55 TYR HBy A 55 TYR HE% 1.0 2.0 6.0 689 639 A 45 TYR HE% A 59 LYS HDy 1.0 1.9 4.1 690 639 A 45 TYR HE% A 59 LYS HBy 1.0 1.9 4.1 691 639 A 45 TYR HE% A 59 LYS HDx 1.0 1.9 4.1 692 640 A 56 TYR HD% A 56 TYR HBy 1.0 2.0 5.2 693 641 A 56 TYR HBy A 56 TYR HE% 1.0 2.0 6.0 694 642 A 74 PHE HA A 74 PHE HD% 1.0 2.0 5.4 695 643 A 82 VAL HGx% A 74 PHE HZ 1.0 1.9 6.0 696 644 A 82 VAL HGx% A 80 TYR HBx 1.0 0.0 6.0 697 645 A 74 PHE HZ A 80 TYR HBx 1.0 1.9 6.0 698 646 A 82 VAL HGx% A 86 ASP HBy 1.0 1.9 4.7 699 647 A 82 VAL HGx% A 86 ASP HBx 1.0 2.0 6.0 700 648 A 81 TRP HZ3 A 69 SER HBy 1.0 2.0 6.0 701 649 A 81 TRP HBx A 69 SER HBy 1.0 1.9 6.0 702 650 A 81 TRP HZ2 A 71 LEU HA 1.0 2.0 6.0 703 651 A 71 LEU HDy% A 81 TRP HZ2 1.0 2.0 5.2 704 652 A 71 LEU HDx% A 81 TRP HZ2 1.0 2.0 5.6 705 653 A 84 TRP HD1 A 82 VAL HB 1.0 1.6 6.0 706 654 A 87 ILE HD1% A 84 TRP HD1 1.0 2.0 5.4 707 655 A 68 GLN HGx A 84 TRP HZ3 1.0 2.0 4.6 708 656 A 84 TRP HZ3 A 68 GLN HGy 1.0 0.0 6.0 709 657 A 84 TRP HZ2 A 63 VAL HGy% 1.0 1.8 3.8 710 658 A 50 TRP HZ3 A 50 TRP HZ2 1.0 2.0 6.0 711 659 A 54 LEU H A 52 ASP H 1.0 1.9 5.3 712 660 A 50 TRP HD1 A 54 LEU H 1.0 0.0 6.0 713 661 A 54 LEU HA A 54 LEU H 1.0 1.9 3.9 714 662 A 53 GLY HAy A 54 LEU H 1.0 1.9 4.9 715 663 A 53 GLY HAx A 54 LEU H 1.0 2.0 5.2 716 664 A 54 LEU HBy A 54 LEU H 1.0 1.7 3.3 717 665 A 54 LEU HG A 54 LEU H 1.0 1.7 3.3 718 666 A 54 LEU HBx A 54 LEU H 1.0 2.0 5.4 719 667 A 54 LEU HDx% A 54 LEU H 1.0 2.0 5.4 720 667 A 54 LEU HDy% A 54 LEU H 1.0 2.0 5.4 721 668 A 39 LYS HA A 40 LEU H 1.0 1.7 3.3 722 669 A 39 LYS HBy A 40 LEU H 1.0 2.0 6.0 723 670 A 39 LYS HD2 A 40 LEU H 1.0 2.0 6.0 724 670 A 39 LYS HBx A 40 LEU H 1.0 2.0 6.0 725 671 A 40 LEU HBx A 40 LEU H 1.0 2.0 5.6 726 672 A 40 LEU HDx% A 40 LEU H 1.0 2.0 6.0 727 673 A 40 LEU HDy% A 40 LEU H 1.0 2.0 5.0 728 674 A 40 LEU HA A 40 LEU H 1.0 1.9 4.1 729 675 A 41 THR HB A 41 THR H 1.0 1.8 3.8 730 676 A 44 GLN HG2 A 41 THR H 1.0 2.0 5.0 731 676 A 44 GLN HG3 A 41 THR H 1.0 2.0 5.0 732 677 A 44 GLN HBy A 41 THR H 1.0 1.9 4.7 733 677 A 44 GLN HBx A 41 THR H 1.0 1.9 4.7 734 678 A 40 LEU HDy% A 41 THR H 1.0 1.9 6.0 735 679 A 40 LEU HDx% A 41 THR H 1.0 1.9 4.9 736 680 A 40 LEU HBx A 41 THR H 1.0 1.7 3.1 737 681 A 40 LEU HBy A 41 THR H 1.0 2.0 5.4 738 682 A 44 GLN HE21 A 44 GLN HE22 1.0 1.3 2.2 739 683 A 44 GLN HG2 A 44 GLN HE21 1.0 1.8 3.6 740 683 A 44 GLN HG3 A 44 GLN HE21 1.0 1.8 3.6 741 684 A 44 GLN HG2 A 44 GLN HE22 1.0 2.0 5.4 742 684 A 44 GLN HG3 A 44 GLN HE22 1.0 2.0 5.4 743 685 A 44 GLN HBy A 44 GLN HE21 1.0 2.0 6.0 744 686 A 40 LEU HA A 44 GLN HE21 1.0 2.0 6.0 745 687 A 40 LEU HA A 44 GLN HE22 1.0 2.0 5.8 746 688 A 40 LEU HDx% A 44 GLN HE21 1.0 1.9 6.0 747 689 A 40 LEU HDx% A 44 GLN HE22 1.0 2.0 6.0 748 690 A 46 VAL HGy% A 44 GLN HE21 1.0 1.9 6.0 749 691 A 46 VAL HGy% A 44 GLN HE22 1.0 0.0 6.0 750 692 A 42 GLU H A 43 GLY H 1.0 2.0 6.0 751 693 A 41 THR H A 42 GLU H 1.0 2.0 5.8 752 694 A 41 THR HA A 42 GLU H 1.0 1.5 2.5 753 695 A 41 THR HB A 42 GLU H 1.0 1.8 4.0 754 696 A 42 GLU HA A 42 GLU H 1.0 1.8 3.4 755 697 A 89 HIS HBx A 89 HIS H 1.0 1.9 4.1 756 698 A 41 THR HG2% A 42 GLU H 1.0 1.7 3.3 757 699 A 42 GLU HGx A 42 GLU H 1.0 1.7 3.1 758 699 A 42 GLU HGy A 42 GLU H 1.0 1.7 3.1 759 700 A 42 GLU HBy A 42 GLU H 1.0 1.6 3.0 760 700 A 42 GLU HBx A 42 GLU H 1.0 1.6 3.0 761 701 A 60 ILE HG2% A 42 GLU H 1.0 2.0 5.2 762 702 A 43 GLY HAy A 43 GLY H 1.0 1.7 3.1 763 703 A 43 GLY HAx A 43 GLY H 1.0 1.8 3.8 764 704 A 42 GLU HA A 43 GLY H 1.0 1.5 2.7 765 705 A 42 GLU HGy A 43 GLY H 1.0 1.9 6.0 766 706 A 42 GLU HGx A 43 GLY H 1.0 2.0 6.0 767 707 A 59 LYS HEx A 43 GLY H 1.0 1.9 6.0 768 707 A 59 LYS HEy A 43 GLY H 1.0 1.9 6.0 769 708 A 59 LYS HBy A 43 GLY H 1.0 1.8 6.0 770 708 A 59 LYS HDy A 43 GLY H 1.0 1.8 6.0 771 708 A 59 LYS HDx A 43 GLY H 1.0 1.8 6.0 772 709 A 60 ILE HD1% A 43 GLY H 1.0 0.0 6.0 773 710 A 60 ILE HG1x A 43 GLY H 1.0 2.0 5.0 774 710 A 60 ILE HG2% A 43 GLY H 1.0 2.0 5.0 775 711 A 59 LYS HGx A 43 GLY H 1.0 2.0 6.0 776 712 A 43 GLY HAx A 44 GLN H 1.0 1.9 4.3 777 713 A 44 GLN HG2 A 44 GLN H 1.0 1.7 3.5 778 713 A 44 GLN HG3 A 44 GLN H 1.0 1.7 3.5 779 714 A 44 GLN HBy A 44 GLN H 1.0 1.6 2.8 780 714 A 44 GLN HBx A 44 GLN H 1.0 1.6 2.8 781 715 A 60 ILE HD1% A 44 GLN H 1.0 0.0 6.0 782 716 A 60 ILE HG2% A 44 GLN H 1.0 1.9 5.1 783 716 A 60 ILE HG1x A 44 GLN H 1.0 1.9 5.1 784 717 A 43 GLY H A 44 GLN H 1.0 1.7 3.3 785 718 A 42 GLU HA A 44 GLN H 1.0 1.9 4.1 786 719 A 67 LYS HA A 68 GLN H 1.0 1.9 4.5 787 720 A 68 GLN H A 68 GLN HA 1.0 1.9 4.5 788 721 A 68 GLN H A 68 GLN HBx 1.0 1.9 4.5 789 722 A 43 GLY H A 60 ILE H 1.0 1.9 5.3 790 723 A 44 GLN H A 45 TYR H 1.0 2.0 6.0 791 724 A 45 TYR HD% A 45 TYR H 1.0 0.0 6.0 792 725 A 45 TYR HE% A 45 TYR H 1.0 1.9 6.0 793 726 A 45 TYR HA A 45 TYR H 1.0 1.8 3.8 794 727 A 44 GLN HA A 45 TYR H 1.0 1.5 2.5 795 728 A 45 TYR HB3 A 45 TYR H 1.0 1.8 4.2 796 729 A 45 TYR HBx A 45 TYR H 1.0 1.7 3.3 797 730 A 44 GLN HG3 A 45 TYR H 1.0 2.0 5.8 798 730 A 44 GLN HG2 A 45 TYR H 1.0 2.0 5.8 799 731 A 44 GLN HBx A 45 TYR H 1.0 1.8 4.0 800 731 A 44 GLN HBy A 45 TYR H 1.0 1.8 4.0 801 732 A 59 LYS HDx A 45 TYR H 1.0 1.9 6.0 802 733 A 46 VAL HGx% A 45 TYR H 1.0 0.0 6.0 803 734 A 45 TYR H A 46 VAL H 1.0 2.0 5.8 804 735 A 45 TYR HD% A 46 VAL H 1.0 2.0 6.0 805 736 A 45 TYR HA A 46 VAL H 1.0 1.5 2.7 806 737 A 45 TYR HB3 A 46 VAL H 1.0 1.9 4.7 807 738 A 45 TYR HBx A 46 VAL H 1.0 2.0 5.6 808 739 A 46 VAL HB A 46 VAL H 1.0 2.0 5.6 809 740 A 46 VAL HGx% A 46 VAL H 1.0 1.8 3.4 810 741 A 72 VAL HGx% A 46 VAL H 1.0 2.0 6.0 811 742 A 90 ALA HB% A 46 VAL H 1.0 2.0 5.8 812 743 A 60 ILE HG1y A 46 VAL H 1.0 1.8 6.0 813 744 A 46 VAL HA A 46 VAL H 1.0 1.8 3.6 814 745 A 88 GLN HGy A 88 GLN HE21 1.0 2.0 4.8 815 745 A 88 GLN HGx A 88 GLN HE21 1.0 2.0 4.8 816 746 A 88 GLN HGy A 88 GLN HE22 1.0 2.0 6.0 817 746 A 88 GLN HGx A 88 GLN HE22 1.0 2.0 6.0 818 747 A 68 GLN HE21 A 68 GLN HBy 1.0 2.0 5.6 819 747 A 68 GLN HGx A 68 GLN HE21 1.0 2.0 5.6 820 748 A 68 GLN HGy A 68 GLN HE21 1.0 2.0 4.6 821 749 A 68 GLN HBx A 68 GLN HE21 1.0 2.0 6.0 822 750 A 68 GLN HBy A 68 GLN HE22 1.0 1.9 6.0 823 750 A 68 GLN HGx A 68 GLN HE22 1.0 1.9 6.0 824 751 A 68 GLN HGy A 68 GLN HE22 1.0 1.9 6.0 825 752 A 77 ASN HB2 A 77 ASN HD21 1.0 1.8 3.8 826 753 A 77 ASN HB2 A 77 ASN HD22 1.0 2.0 5.6 827 754 A 47 LEU HA A 47 LEU H 1.0 1.8 3.6 828 755 A 46 VAL HA A 47 LEU H 1.0 1.7 3.1 829 756 A 46 VAL HB A 47 LEU H 1.0 1.6 2.8 830 757 A 47 LEU HBy A 47 LEU H 1.0 1.7 3.1 831 758 A 47 LEU HG A 47 LEU H 1.0 1.8 3.8 832 759 A 46 VAL HGy% A 47 LEU H 1.0 0.0 6.0 833 760 A 46 VAL HGx% A 47 LEU H 1.0 1.9 5.1 834 761 A 47 LEU HBx A 47 LEU H 1.0 2.0 5.0 835 762 A 48 CYS H A 56 TYR H 1.0 1.9 4.1 836 763 A 48 CYS HA A 48 CYS H 1.0 1.9 4.5 837 764 A 47 LEU HA A 48 CYS H 1.0 1.6 2.8 838 765 A 48 CYS HBy A 48 CYS H 1.0 1.8 3.8 839 766 A 48 CYS HBx A 48 CYS H 1.0 2.0 5.6 840 767 A 47 LEU HBy A 48 CYS H 1.0 1.9 6.0 841 768 A 47 LEU HG A 48 CYS H 1.0 2.0 5.8 842 768 A 47 LEU HBx A 48 CYS H 1.0 2.0 5.8 843 769 A 47 LEU HDy% A 48 CYS H 1.0 2.0 6.0 844 769 A 47 LEU HDx% A 48 CYS H 1.0 2.0 6.0 845 770 A 55 TYR HBx A 48 CYS H 1.0 1.9 6.0 846 771 A 55 TYR HA A 48 CYS H 1.0 1.9 6.0 847 772 A 55 TYR HE% A 48 CYS H 1.0 0.0 6.0 848 773 A 55 TYR HE% A 49 ARG H 1.0 2.0 5.6 849 774 A 48 CYS HA A 49 ARG H 1.0 1.6 2.8 850 775 A 86 ASP HA A 49 ARG H 1.0 2.0 6.0 851 776 A 87 ILE HA A 49 ARG H 1.0 1.9 4.7 852 777 A 49 ARG HA A 49 ARG H 1.0 1.9 4.1 853 778 A 49 ARG HBy A 49 ARG H 1.0 1.8 3.8 854 779 A 49 ARG HBx A 49 ARG H 1.0 1.7 3.1 855 780 A 49 ARG HGx A 49 ARG H 1.0 2.0 6.0 856 781 A 87 ILE HG1x A 49 ARG H 1.0 2.0 6.0 857 782 A 49 ARG HGy A 49 ARG H 1.0 2.0 6.0 858 783 A 87 ILE HG1y A 49 ARG H 1.0 2.0 6.0 859 784 A 50 TRP HBy A 50 TRP H 1.0 1.9 3.9 860 785 A 49 ARG HA A 50 TRP H 1.0 1.6 2.8 861 786 A 50 TRP HBx A 50 TRP H 1.0 1.7 3.3 862 787 A 49 ARG HBy A 50 TRP H 1.0 1.9 6.0 863 788 A 49 ARG HGy A 50 TRP H 1.0 1.9 4.5 864 789 A 49 ARG HBx A 50 TRP H 1.0 2.0 5.8 865 790 A 49 ARG HGx A 50 TRP H 1.0 1.8 4.2 866 791 A 50 TRP HA A 50 TRP H 1.0 1.9 4.3 867 792 A 55 TYR HA A 50 TRP H 1.0 2.0 5.4 868 793 A 50 TRP HA A 51 THR H 1.0 2.0 5.4 869 794 A 51 THR HB A 51 THR H 1.0 2.0 6.0 870 795 A 51 THR H A 51 THR HA 1.0 2.0 6.0 871 796 A 51 THR HG2% A 51 THR H 1.0 2.0 5.8 872 797 A 81 TRP HZ2 A 81 TRP HE1 1.0 1.8 3.6 873 798 A 81 TRP HD1 A 81 TRP HE1 1.0 1.8 3.6 874 799 A 71 LEU HBy A 81 TRP HE1 1.0 2.0 5.8 875 800 A 71 LEU HG A 81 TRP HE1 1.0 0.0 6.0 876 801 A 81 TRP HH2 A 81 TRP HE1 1.0 1.9 6.0 877 802 A 81 TRP HE1 A 81 TRP H 1.0 1.8 6.0 878 803 A 81 TRP HBy A 81 TRP HE1 1.0 1.9 6.0 879 804 A 52 ASP H A 51 THR H 1.0 1.9 3.7 880 805 A 52 ASP H A 51 THR HA 1.0 1.9 4.3 881 806 A 51 THR HG2% A 52 ASP H 1.0 2.0 5.6 882 807 A 51 THR HB A 52 ASP H 1.0 1.9 4.1 883 808 A 52 ASP HA A 52 ASP H 1.0 1.8 3.8 884 809 A 52 ASP HBy A 52 ASP H 1.0 2.0 5.0 885 810 A 52 ASP HBx A 52 ASP H 1.0 1.8 3.4 886 811 A 52 ASP H A 53 GLY H 1.0 1.6 3.0 887 812 A 52 ASP H A 50 TRP H 1.0 2.0 6.0 888 813 A 50 TRP HD1 A 52 ASP H 1.0 1.8 3.6 889 814 A 52 ASP H A 50 TRP HA 1.0 2.0 6.0 890 815 A 53 GLY HAx A 52 ASP H 1.0 1.9 6.0 891 816 A 52 ASP H A 50 TRP HE3 1.0 0.0 6.0 892 817 A 53 GLY HAy A 53 GLY H 1.0 1.7 3.1 893 818 A 51 THR HB A 53 GLY H 1.0 2.0 6.0 894 819 A 51 THR HA A 53 GLY H 1.0 2.0 4.4 895 820 A 53 GLY HAx A 53 GLY H 1.0 1.8 3.6 896 821 A 52 ASP HBy A 53 GLY H 1.0 2.0 5.8 897 822 A 52 ASP HBx A 53 GLY H 1.0 2.0 6.0 898 823 A 54 LEU HBy A 53 GLY H 1.0 1.9 6.0 899 824 A 50 TRP HA A 53 GLY H 1.0 1.9 6.0 900 825 A 51 THR H A 53 GLY H 1.0 1.9 6.0 901 826 A 50 TRP HD1 A 53 GLY H 1.0 0.0 6.0 902 827 A 53 GLY H A 50 TRP H 1.0 2.0 6.0 903 828 A 52 ASP HBx A 54 LEU H 1.0 2.0 6.0 904 829 A 54 LEU HDx% A 55 TYR H 1.0 2.0 6.0 905 829 A 54 LEU HDy% A 55 TYR H 1.0 2.0 6.0 906 830 A 54 LEU HBx A 55 TYR H 1.0 1.8 3.8 907 831 A 54 LEU HG A 55 TYR H 1.0 1.8 6.0 908 832 A 54 LEU HBy A 55 TYR H 1.0 2.0 5.6 909 833 A 54 LEU HA A 55 TYR H 1.0 1.8 3.4 910 834 A 55 TYR HBx A 55 TYR H 1.0 2.0 6.0 911 835 A 55 TYR HBy A 55 TYR H 1.0 1.8 3.6 912 836 A 55 TYR HA A 55 TYR H 1.0 2.0 5.0 913 837 A 55 TYR HE% A 55 TYR H 1.0 0.0 6.0 914 838 A 55 TYR HD% A 55 TYR H 1.0 0.0 6.0 915 839 A 49 ARG HBy A 55 TYR H 1.0 1.9 6.0 916 840 A 49 ARG HA A 55 TYR H 1.0 1.9 6.0 917 841 A 55 TYR H A 56 TYR H 1.0 1.9 6.0 918 842 A 55 TYR HD% A 56 TYR H 1.0 2.0 5.6 919 843 A 56 TYR HD% A 56 TYR H 1.0 0.0 6.0 920 844 A 55 TYR HA A 56 TYR H 1.0 1.7 3.1 921 845 A 47 LEU HA A 56 TYR H 1.0 2.0 5.6 922 846 A 49 ARG HA A 56 TYR H 1.0 2.0 5.8 923 847 A 48 CYS HBy A 56 TYR H 1.0 2.0 5.4 924 848 A 55 TYR HBx A 56 TYR H 1.0 1.9 4.3 925 849 A 47 LEU HBx A 56 TYR H 1.0 2.0 5.4 926 849 A 47 LEU HG A 56 TYR H 1.0 2.0 5.4 927 850 A 47 LEU HDx% A 56 TYR H 1.0 2.0 6.0 928 850 A 47 LEU HDy% A 56 TYR H 1.0 2.0 6.0 929 851 A 57 LEU HDx% A 56 TYR H 1.0 0.0 6.0 930 852 A 49 ARG HBy A 56 TYR H 1.0 2.0 5.2 931 853 A 57 LEU HDy% A 57 LEU H 1.0 1.8 6.0 932 853 A 57 LEU HDx% A 57 LEU H 1.0 1.8 6.0 933 854 A 57 LEU HBx A 57 LEU H 1.0 2.0 4.8 934 855 A 57 LEU HG A 57 LEU H 1.0 1.8 6.0 935 856 A 57 LEU HBy A 57 LEU H 1.0 1.9 4.9 936 857 A 56 TYR HBy A 57 LEU H 1.0 1.9 6.0 937 858 A 57 LEU HA A 57 LEU H 1.0 2.0 5.4 938 859 A 47 LEU HDx% A 57 LEU H 1.0 2.0 6.0 939 859 A 47 LEU HDy% A 57 LEU H 1.0 2.0 6.0 940 860 A 47 LEU HBy A 56 TYR H 1.0 2.0 5.6 941 861 A 46 VAL H A 58 GLY H 1.0 1.8 3.6 942 862 A 58 GLY H A 59 LYS H 1.0 2.0 6.0 943 863 A 74 PHE HZ A 58 GLY H 1.0 0.0 6.0 944 863 A 74 PHE HE% A 58 GLY H 1.0 0.0 6.0 945 864 A 45 TYR HA A 58 GLY H 1.0 2.0 6.0 946 865 A 57 LEU HA A 58 GLY H 1.0 1.5 2.5 947 866 A 58 GLY HAy A 58 GLY H 1.0 1.8 3.8 948 867 A 58 GLY HAx A 58 GLY H 1.0 1.8 3.4 949 868 A 57 LEU HBy A 58 GLY H 1.0 2.0 6.0 950 869 A 57 LEU HG A 58 GLY H 1.0 2.0 4.4 951 870 A 57 LEU HBx A 58 GLY H 1.0 2.0 5.6 952 871 A 57 LEU HDy% A 58 GLY H 1.0 1.8 3.6 953 871 A 57 LEU HDx% A 58 GLY H 1.0 1.8 3.6 954 872 A 46 VAL HGx% A 58 GLY H 1.0 0.0 6.0 955 873 A 72 VAL HGx% A 58 GLY H 1.0 2.0 6.0 956 874 A 74 PHE HD% A 58 GLY H 1.0 0.0 6.0 957 875 A 47 LEU H A 58 GLY H 1.0 2.0 6.0 958 876 A 45 TYR HBx A 58 GLY H 1.0 0.0 6.0 959 877 A 46 VAL HB A 58 GLY H 1.0 1.9 6.0 960 878 A 45 TYR HA A 59 LYS H 1.0 1.9 6.0 961 879 A 74 PHE HA A 59 LYS H 1.0 2.0 5.0 962 880 A 72 VAL HA A 59 LYS H 1.0 2.0 6.0 963 881 A 73 THR HB A 59 LYS H 1.0 2.0 4.8 964 882 A 58 GLY HAx A 59 LYS H 1.0 1.7 3.5 965 883 A 72 VAL HB A 59 LYS H 1.0 1.9 6.0 966 884 A 59 LYS HBy A 59 LYS H 1.0 1.8 4.0 967 884 A 59 LYS HDx A 59 LYS H 1.0 1.8 4.0 968 884 A 59 LYS HDy A 59 LYS H 1.0 1.8 4.0 969 885 A 59 LYS HBx A 59 LYS H 1.0 1.8 3.4 970 886 A 59 LYS HGx A 59 LYS H 1.0 2.0 6.0 971 887 A 72 VAL HGx% A 59 LYS H 1.0 1.8 3.6 972 888 A 74 PHE HD% A 59 LYS H 1.0 0.0 6.0 973 889 A 45 TYR HE% A 59 LYS H 1.0 0.0 6.0 974 890 A 59 LYS H A 60 ILE H 1.0 1.9 6.0 975 891 A 46 VAL H A 59 LYS H 1.0 1.9 6.0 976 892 A 44 GLN H A 60 ILE H 1.0 2.0 4.8 977 893 A 60 ILE H A 61 LYS H 1.0 2.0 6.0 978 894 A 46 VAL H A 60 ILE H 1.0 2.0 6.0 979 895 A 45 TYR HA A 60 ILE H 1.0 2.0 4.6 980 896 A 59 LYS HA A 60 ILE H 1.0 1.5 2.5 981 897 A 60 ILE HA A 60 ILE H 1.0 1.8 3.6 982 898 A 42 GLU HA A 60 ILE H 1.0 2.0 6.0 983 899 A 60 ILE HB A 60 ILE H 1.0 1.6 3.0 984 900 A 60 ILE HG1y A 60 ILE H 1.0 1.9 4.3 985 901 A 59 LYS HBy A 60 ILE H 1.0 2.0 5.8 986 901 A 59 LYS HDy A 60 ILE H 1.0 2.0 5.8 987 902 A 59 LYS HBx A 60 ILE H 1.0 2.0 6.0 988 903 A 60 ILE HD1% A 60 ILE H 1.0 2.0 5.4 989 904 A 59 LYS HGx A 60 ILE H 1.0 1.8 3.8 990 905 A 72 VAL HGx% A 60 ILE H 1.0 2.0 6.0 991 906 A 59 LYS HEx A 60 ILE H 1.0 2.0 5.2 992 906 A 59 LYS HEy A 60 ILE H 1.0 2.0 5.2 993 907 A 45 TYR HD% A 60 ILE H 1.0 0.0 6.0 994 908 A 44 GLN HBy A 60 ILE H 1.0 2.0 6.0 995 909 A 61 LYS H A 71 LEU H 1.0 1.9 6.0 996 910 A 61 LYS H A 73 THR H 1.0 2.0 6.0 997 911 A 60 ILE HA A 61 LYS H 1.0 1.5 2.7 998 912 A 60 ILE HB A 61 LYS H 1.0 1.9 6.0 999 913 A 60 ILE HG1y A 61 LYS H 1.0 2.0 6.0 1000 914 A 61 LYS HG2 A 61 LYS H 1.0 2.0 5.4 1001 915 A 71 LEU HBy A 61 LYS H 1.0 1.9 6.0 1002 916 A 72 VAL HGx% A 61 LYS H 1.0 2.0 6.0 1003 917 A 61 LYS HBx A 61 LYS H 1.0 1.7 3.3 1004 917 A 61 LYS HBy A 61 LYS H 1.0 1.7 3.3 1005 918 A 71 LEU HDy% A 61 LYS H 1.0 0.0 6.0 1006 919 A 62 ARG H A 71 LEU H 1.0 1.8 3.8 1007 920 A 61 LYS H A 62 ARG H 1.0 1.6 2.8 1008 921 A 62 ARG HA A 62 ARG H 1.0 1.8 3.4 1009 922 A 61 LYS HA A 62 ARG H 1.0 1.9 4.3 1010 923 A 60 ILE HA A 62 ARG H 1.0 2.0 5.2 1011 924 A 62 ARG HBx A 62 ARG H 1.0 1.8 3.8 1012 924 A 62 ARG HGy A 62 ARG H 1.0 1.8 3.8 1013 925 A 61 LYS HBy A 62 ARG H 1.0 1.7 3.3 1014 925 A 61 LYS HBx A 62 ARG H 1.0 1.7 3.3 1015 926 A 61 LYS HG2 A 62 ARG H 1.0 2.0 5.6 1016 927 A 71 LEU HBy A 62 ARG H 1.0 2.0 5.0 1017 928 A 71 LEU HDy% A 62 ARG H 1.0 2.0 5.6 1018 929 A 71 LEU HBx A 62 ARG H 1.0 1.8 3.6 1019 930 A 61 LYS HE3 A 62 ARG H 1.0 1.9 6.0 1020 930 A 61 LYS HE2 A 62 ARG H 1.0 1.9 6.0 1021 931 A 42 GLU HA A 62 ARG H 1.0 2.0 6.0 1022 932 A 42 GLU HGx A 62 ARG H 1.0 1.9 6.0 1023 932 A 42 GLU HGy A 62 ARG H 1.0 1.9 6.0 1024 933 A 71 LEU HDx% A 62 ARG H 1.0 0.0 6.0 1025 934 A 70 CYS HA A 62 ARG H 1.0 2.0 6.0 1026 935 A 81 TRP HZ3 A 62 ARG H 1.0 1.9 6.0 1027 936 A 63 VAL H A 62 ARG H 1.0 2.0 6.0 1028 937 A 62 ARG H A 73 THR H 1.0 1.7 6.0 1029 938 A 71 LEU HA A 62 ARG H 1.0 1.9 6.0 1030 939 A 62 ARG HA A 63 VAL H 1.0 1.6 2.8 1031 940 A 63 VAL HA A 63 VAL H 1.0 1.9 4.1 1032 941 A 62 ARG HDy A 63 VAL H 1.0 1.8 6.0 1033 941 A 62 ARG HDx A 63 VAL H 1.0 1.8 6.0 1034 942 A 63 VAL HB A 63 VAL H 1.0 1.8 3.4 1035 943 A 62 ARG HBx A 63 VAL H 1.0 1.8 4.2 1036 943 A 62 ARG HBy A 63 VAL H 1.0 1.8 4.2 1037 943 A 62 ARG HGy A 63 VAL H 1.0 1.8 4.2 1038 944 A 63 VAL HGy% A 63 VAL H 1.0 2.0 5.6 1039 945 A 63 VAL HGx% A 63 VAL H 1.0 1.8 3.8 1040 946 A 60 ILE HG2% A 63 VAL H 1.0 2.0 5.8 1041 947 A 63 VAL H A 71 LEU H 1.0 1.9 6.0 1042 948 A 81 TRP HZ3 A 63 VAL H 1.0 1.9 6.0 1043 949 A 63 VAL HA A 64 SER H 1.0 1.6 3.0 1044 950 A 63 VAL HB A 64 SER H 1.0 1.9 6.0 1045 951 A 63 VAL HGy% A 64 SER H 1.0 1.8 4.0 1046 952 A 63 VAL HGx% A 64 SER H 1.0 2.0 5.4 1047 953 A 64 SER HA A 64 SER H 1.0 1.8 4.2 1048 954 A 64 SER HBy A 64 SER H 1.0 1.8 3.6 1049 955 A 70 CYS HA A 64 SER H 1.0 1.9 4.3 1050 956 A 81 TRP HZ3 A 64 SER H 1.0 2.0 4.6 1051 957 A 81 TRP HH2 A 64 SER H 1.0 1.9 6.0 1052 958 A 64 SER H A 71 LEU H 1.0 2.0 6.0 1053 959 A 63 VAL H A 64 SER H 1.0 2.0 6.0 1054 960 A 67 LYS HA A 67 LYS H 1.0 2.0 6.0 1055 961 A 66 SER HA A 67 LYS H 1.0 2.0 5.4 1056 962 A 66 SER HB2 A 67 LYS H 1.0 1.9 4.7 1057 963 A 69 SER H A 70 CYS H 1.0 2.0 6.0 1058 964 A 64 SER H A 69 SER H 1.0 2.0 4.8 1059 965 A 69 SER HA A 69 SER H 1.0 1.8 4.2 1060 966 A 65 SER HA A 69 SER H 1.0 2.0 5.8 1061 967 A 69 SER HBx A 69 SER H 1.0 1.9 4.7 1062 968 A 68 GLN HGx A 69 SER H 1.0 2.0 6.0 1063 968 A 68 GLN HGy A 69 SER H 1.0 2.0 6.0 1064 968 A 68 GLN HBy A 69 SER H 1.0 2.0 6.0 1065 969 A 68 GLN HBx A 69 SER H 1.0 2.0 6.0 1066 970 A 63 VAL HGy% A 69 SER H 1.0 0.0 6.0 1067 971 A 83 LEU HDx% A 69 SER H 1.0 2.0 6.0 1068 971 A 83 LEU HDy% A 69 SER H 1.0 2.0 6.0 1069 972 A 84 TRP HD1 A 69 SER H 1.0 2.0 6.0 1070 973 A 81 TRP HE3 A 70 CYS H 1.0 2.0 5.4 1071 974 A 84 TRP HD1 A 70 CYS H 1.0 2.0 5.6 1072 975 A 69 SER HBy A 70 CYS H 1.0 1.9 4.1 1073 976 A 69 SER HBx A 70 CYS H 1.0 2.0 5.2 1074 977 A 70 CYS HBy A 70 CYS H 1.0 2.0 5.0 1075 978 A 70 CYS HBx A 70 CYS H 1.0 2.0 5.0 1076 979 A 82 VAL HB A 70 CYS H 1.0 2.0 6.0 1077 980 A 82 VAL HGy% A 70 CYS H 1.0 2.0 6.0 1078 980 A 82 VAL HGx% A 70 CYS H 1.0 2.0 6.0 1079 981 A 87 ILE HD1% A 70 CYS H 1.0 2.0 4.8 1080 982 A 72 VAL HGy% A 70 CYS H 1.0 2.0 6.0 1081 983 A 70 CYS HA A 71 LEU H 1.0 1.6 2.8 1082 984 A 70 CYS HBy A 71 LEU H 1.0 2.0 5.0 1083 985 A 70 CYS HBx A 71 LEU H 1.0 2.0 4.8 1084 986 A 71 LEU HA A 71 LEU H 1.0 1.8 3.8 1085 987 A 71 LEU HBy A 71 LEU H 1.0 1.7 3.3 1086 988 A 71 LEU HG A 71 LEU H 1.0 1.9 5.1 1087 989 A 71 LEU HDy% A 71 LEU H 1.0 2.0 6.0 1088 990 A 71 LEU HDx% A 71 LEU H 1.0 1.9 6.0 1089 991 A 71 LEU HBx A 71 LEU H 1.0 1.7 3.3 1090 992 A 63 VAL HGy% A 71 LEU H 1.0 0.0 6.0 1091 993 A 62 ARG HBy A 71 LEU H 1.0 1.9 4.5 1092 993 A 62 ARG HBx A 71 LEU H 1.0 1.9 4.5 1093 993 A 62 ARG HGy A 71 LEU H 1.0 1.9 4.5 1094 994 A 63 VAL HA A 71 LEU H 1.0 1.9 4.9 1095 995 A 81 TRP HA A 71 LEU H 1.0 2.0 6.0 1096 996 A 81 TRP HZ3 A 71 LEU H 1.0 1.9 4.7 1097 997 A 81 TRP HE3 A 71 LEU H 1.0 2.0 5.8 1098 998 A 70 CYS H A 71 LEU H 1.0 2.0 6.0 1099 999 A 71 LEU HA A 72 VAL H 1.0 1.6 2.8 1100 1000 A 71 LEU HDy% A 72 VAL H 1.0 1.9 6.0 1101 1001 A 71 LEU HDx% A 72 VAL H 1.0 1.9 4.3 1102 1002 A 72 VAL HGx% A 72 VAL H 1.0 2.0 6.0 1103 1003 A 71 LEU HBy A 72 VAL H 1.0 1.9 6.0 1104 1004 A 82 VAL HGy% A 72 VAL H 1.0 0.0 6.0 1105 1004 A 82 VAL HGx% A 72 VAL H 1.0 0.0 6.0 1106 1005 A 72 VAL HB A 72 VAL H 1.0 1.8 3.6 1107 1006 A 72 VAL HA A 72 VAL H 1.0 1.9 4.1 1108 1007 A 81 TRP HA A 72 VAL H 1.0 1.9 5.1 1109 1008 A 79 LYS HA A 72 VAL H 1.0 1.9 6.0 1110 1009 A 74 PHE HE% A 72 VAL H 1.0 2.0 6.0 1111 1010 A 72 VAL H A 82 VAL H 1.0 2.0 6.0 1112 1011 A 73 THR HA A 73 THR H 1.0 1.9 4.1 1113 1012 A 72 VAL HA A 73 THR H 1.0 1.6 2.8 1114 1013 A 73 THR HB A 73 THR H 1.0 1.8 3.6 1115 1014 A 60 ILE HA A 73 THR H 1.0 2.0 5.6 1116 1015 A 58 GLY HAx A 73 THR H 1.0 1.9 6.0 1117 1016 A 72 VAL HB A 73 THR H 1.0 2.0 6.0 1118 1017 A 61 LYS HBy A 73 THR H 1.0 2.0 5.4 1119 1017 A 61 LYS HBx A 73 THR H 1.0 2.0 5.4 1120 1018 A 72 VAL HGx% A 73 THR H 1.0 1.8 3.6 1121 1019 A 59 LYS HGx A 73 THR H 1.0 2.0 5.4 1122 1020 A 73 THR H A 74 PHE H 1.0 2.0 6.0 1123 1021 A 72 VAL H A 73 THR H 1.0 2.0 6.0 1124 1022 A 75 GLU H A 74 PHE H 1.0 1.7 6.0 1125 1023 A 74 PHE HD% A 74 PHE H 1.0 1.8 3.6 1126 1024 A 74 PHE HE% A 74 PHE H 1.0 2.0 6.0 1127 1025 A 79 LYS HA A 74 PHE H 1.0 1.9 4.9 1128 1026 A 73 THR HA A 74 PHE H 1.0 1.6 2.8 1129 1027 A 74 PHE HA A 74 PHE H 1.0 1.8 4.0 1130 1028 A 73 THR HB A 74 PHE H 1.0 2.0 5.8 1131 1029 A 74 PHE HBy A 74 PHE H 1.0 1.8 3.6 1132 1030 A 74 PHE HBx A 74 PHE H 1.0 1.9 4.7 1133 1031 A 73 THR HG2% A 74 PHE H 1.0 1.9 4.3 1134 1032 A 72 VAL HGy% A 74 PHE H 1.0 0.0 6.0 1135 1033 A 72 VAL HGx% A 74 PHE H 1.0 2.0 6.0 1136 1034 A 74 PHE HD% A 75 GLU H 1.0 2.0 6.0 1137 1035 A 74 PHE HA A 75 GLU H 1.0 1.8 4.2 1138 1036 A 75 GLU HA A 75 GLU H 1.0 2.0 5.0 1139 1037 A 74 PHE HBy A 75 GLU H 1.0 2.0 5.8 1140 1038 A 74 PHE HBx A 75 GLU H 1.0 1.9 4.1 1141 1039 A 75 GLU HGy A 75 GLU H 1.0 2.0 4.6 1142 1040 A 75 GLU HGx A 75 GLU H 1.0 2.0 6.0 1143 1041 A 75 GLU HBy A 75 GLU H 1.0 1.9 4.5 1144 1041 A 75 GLU HBx A 75 GLU H 1.0 1.9 4.5 1145 1042 A 75 GLU H A 76 ASP H 1.0 1.8 4.0 1146 1043 A 76 ASP H A 74 PHE H 1.0 2.0 6.0 1147 1044 A 76 ASP H A 77 ASN H 1.0 1.7 3.3 1148 1045 A 74 PHE HD% A 76 ASP H 1.0 1.9 6.0 1149 1046 A 74 PHE HA A 76 ASP H 1.0 2.0 6.0 1150 1047 A 76 ASP HA A 76 ASP H 1.0 1.8 3.8 1151 1048 A 77 ASN HA A 76 ASP H 1.0 2.0 6.0 1152 1049 A 75 GLU HA A 76 ASP H 1.0 1.9 4.5 1153 1050 A 74 PHE HBy A 76 ASP H 1.0 1.9 4.1 1154 1051 A 75 GLU HGy A 76 ASP H 1.0 1.9 6.0 1155 1052 A 76 ASP H A 76 ASP HBx 1.0 1.8 3.8 1156 1053 A 75 GLU HBy A 76 ASP H 1.0 1.9 4.5 1157 1053 A 75 GLU HBx A 76 ASP H 1.0 1.9 4.5 1158 1054 A 76 ASP H B 35 VAL HG11 1.0 0.0 6.0 1159 1054 A 76 ASP H B 35 VAL HG2% 1.0 0.0 6.0 1160 1055 A 75 GLU H A 77 ASN H 1.0 2.0 6.0 1161 1056 A 76 ASP HA A 77 ASN H 1.0 1.9 4.1 1162 1057 A 77 ASN HA A 77 ASN H 1.0 1.5 2.5 1163 1058 A 74 PHE HBy A 77 ASN H 1.0 2.0 6.0 1164 1059 A 77 ASN H A 76 ASP HBx 1.0 2.0 5.6 1165 1060 A 73 THR HG2% A 77 ASN H 1.0 2.0 4.6 1166 1061 A 74 PHE HA A 77 ASN H 1.0 0.0 6.0 1167 1062 A 74 PHE HD% A 77 ASN H 1.0 0.0 6.0 1168 1063 A 78 SER H A 74 PHE H 1.0 1.9 4.9 1169 1064 A 77 ASN H A 78 SER H 1.0 1.7 3.5 1170 1065 A 74 PHE HD% A 78 SER H 1.0 2.0 6.0 1171 1066 A 80 TYR HE% A 78 SER H 1.0 2.0 6.0 1172 1067 A 78 SER HA A 78 SER H 1.0 2.0 6.0 1173 1068 A 77 ASN HA A 78 SER H 1.0 1.7 3.5 1174 1069 A 78 SER HB2 A 78 SER H 1.0 1.8 3.8 1175 1070 A 76 ASP HBx A 78 SER H 1.0 2.0 5.6 1176 1071 A 73 THR HG2% A 78 SER H 1.0 2.0 5.4 1177 1072 A 77 ASN HD21 A 78 SER H 1.0 1.9 6.0 1178 1073 A 74 PHE HD% A 79 LYS H 1.0 2.0 6.0 1179 1074 A 79 LYS H A 80 TYR HD% 1.0 2.0 5.8 1180 1075 A 80 TYR HE% A 79 LYS H 1.0 2.0 6.0 1181 1076 A 79 LYS HA A 79 LYS H 1.0 1.9 3.9 1182 1077 A 78 SER HA A 79 LYS H 1.0 2.0 5.4 1183 1078 A 77 ASN HA A 79 LYS H 1.0 0.0 6.0 1184 1079 A 78 SER HB2 A 79 LYS H 1.0 1.8 3.8 1185 1080 A 79 LYS HDx A 79 LYS H 1.0 1.8 3.6 1186 1080 A 79 LYS HB2 A 79 LYS H 1.0 1.8 3.6 1187 1080 A 79 LYS H A 79 LYS HGy 1.0 1.8 3.6 1188 1081 A 79 LYS HE2 A 79 LYS H 1.0 1.9 6.0 1189 1082 A 72 VAL H A 80 TYR H 1.0 1.8 3.8 1190 1083 A 81 TRP H A 80 TYR H 1.0 2.0 6.0 1191 1084 A 79 LYS H A 80 TYR H 1.0 2.0 6.0 1192 1085 A 74 PHE HD% A 80 TYR H 1.0 1.9 4.9 1193 1086 A 80 TYR HD% A 80 TYR H 1.0 0.0 6.0 1194 1087 A 79 LYS HA A 80 TYR H 1.0 1.6 2.6 1195 1088 A 71 LEU HA A 80 TYR H 1.0 2.0 5.4 1196 1089 A 80 TYR HBx A 80 TYR H 1.0 2.0 5.0 1197 1090 A 72 VAL HB A 80 TYR H 1.0 2.0 5.0 1198 1091 A 79 LYS HB2 A 80 TYR H 1.0 1.9 4.5 1199 1091 A 79 LYS HGx A 80 TYR H 1.0 1.9 4.5 1200 1092 A 71 LEU HDx% A 80 TYR H 1.0 1.9 4.1 1201 1093 A 74 PHE HE% A 80 TYR H 1.0 1.9 4.3 1202 1093 A 74 PHE HZ A 80 TYR H 1.0 1.9 4.3 1203 1094 A 81 TRP H A 82 VAL H 1.0 2.0 6.0 1204 1095 A 81 TRP H A 72 VAL H 1.0 2.0 6.0 1205 1096 A 81 TRP HD1 A 81 TRP H 1.0 1.9 4.5 1206 1097 A 81 TRP H A 80 TYR HD% 1.0 2.0 5.8 1207 1098 A 80 TYR HE% A 81 TRP H 1.0 0.0 6.0 1208 1099 A 81 TRP HA A 81 TRP H 1.0 1.9 4.5 1209 1100 A 71 LEU HA A 81 TRP H 1.0 2.0 6.0 1210 1101 A 81 TRP HBx A 81 TRP H 1.0 1.9 3.9 1211 1102 A 80 TYR HBx A 81 TRP H 1.0 1.9 4.3 1212 1103 A 82 VAL HGx% A 81 TRP H 1.0 2.0 6.0 1213 1103 A 82 VAL HGy% A 81 TRP H 1.0 2.0 6.0 1214 1104 A 71 LEU HDx% A 81 TRP H 1.0 2.0 5.4 1215 1105 A 81 TRP HBy A 81 TRP H 1.0 2.0 5.2 1216 1106 A 83 LEU H A 82 VAL H 1.0 2.0 6.0 1217 1107 A 83 LEU H A 84 TRP H 1.0 2.0 6.0 1218 1108 A 83 LEU H A 86 ASP H 1.0 2.0 5.8 1219 1109 A 83 LEU HA A 83 LEU H 1.0 1.8 3.6 1220 1110 A 82 VAL HA A 83 LEU H 1.0 1.6 2.6 1221 1111 A 86 ASP HBy A 83 LEU H 1.0 2.0 5.0 1222 1112 A 86 ASP HBx A 83 LEU H 1.0 2.0 6.0 1223 1113 A 82 VAL HB A 83 LEU H 1.0 1.9 5.3 1224 1114 A 82 VAL HGy% A 83 LEU H 1.0 0.0 6.0 1225 1114 A 82 VAL HGx% A 83 LEU H 1.0 0.0 6.0 1226 1115 A 83 LEU HDy% A 83 LEU H 1.0 2.0 4.6 1227 1115 A 83 LEU HDx% A 83 LEU H 1.0 2.0 4.6 1228 1116 A 83 LEU HB2 A 83 LEU H 1.0 1.5 2.5 1229 1116 A 83 LEU HG A 83 LEU H 1.0 1.5 2.5 1230 1117 A 84 TRP HD1 A 84 TRP H 1.0 2.0 5.4 1231 1118 A 69 SER HA A 84 TRP H 1.0 1.9 4.9 1232 1119 A 68 GLN HA A 84 TRP H 1.0 2.0 6.0 1233 1120 A 84 TRP HBy A 84 TRP H 1.0 2.0 4.8 1234 1120 A 84 TRP HBx A 84 TRP H 1.0 2.0 4.8 1235 1121 A 83 LEU HB2 A 84 TRP H 1.0 2.0 6.0 1236 1121 A 83 LEU HG A 84 TRP H 1.0 2.0 6.0 1237 1122 A 83 LEU HDy% A 84 TRP H 1.0 2.0 6.0 1238 1122 A 83 LEU HDx% A 84 TRP H 1.0 2.0 6.0 1239 1123 A 68 GLN HBx A 84 TRP H 1.0 2.0 6.0 1240 1124 A 83 LEU H A 85 LYS H 1.0 1.8 6.0 1241 1125 A 85 LYS H A 84 TRP H 1.0 1.8 3.8 1242 1126 A 85 LYS H A 87 ILE H 1.0 2.0 6.0 1243 1127 A 84 TRP HD1 A 85 LYS H 1.0 1.9 6.0 1244 1128 A 86 ASP HA A 85 LYS H 1.0 1.9 6.0 1245 1129 A 83 LEU HA A 85 LYS H 1.0 2.0 5.6 1246 1130 A 85 LYS HA A 85 LYS H 1.0 1.8 3.4 1247 1131 A 84 TRP HBx A 85 LYS H 1.0 1.8 3.6 1248 1131 A 84 TRP HBy A 85 LYS H 1.0 1.8 3.6 1249 1132 A 85 LYS HE3 A 85 LYS H 1.0 1.9 6.0 1250 1132 A 85 LYS HE2 A 85 LYS H 1.0 1.9 6.0 1251 1133 A 85 LYS HBx A 85 LYS H 1.0 1.6 3.0 1252 1133 A 85 LYS HBy A 85 LYS H 1.0 1.6 3.0 1253 1134 A 85 LYS HGy A 85 LYS H 1.0 1.7 3.1 1254 1134 A 85 LYS HGx A 85 LYS H 1.0 1.7 3.1 1255 1135 A 83 LEU HDx% A 85 LYS H 1.0 2.0 6.0 1256 1135 A 83 LEU HDy% A 85 LYS H 1.0 2.0 6.0 1257 1136 A 84 TRP H A 86 ASP H 1.0 2.0 6.0 1258 1137 A 86 ASP H A 87 ILE H 1.0 1.6 3.0 1259 1138 A 86 ASP HA A 86 ASP H 1.0 1.8 3.8 1260 1139 A 87 ILE HA A 86 ASP H 1.0 1.9 6.0 1261 1140 A 86 ASP HBy A 86 ASP H 1.0 1.7 3.3 1262 1141 A 86 ASP HBx A 86 ASP H 1.0 1.9 4.1 1263 1142 A 87 ILE HG1y A 86 ASP H 1.0 2.0 6.0 1264 1143 A 85 LYS HBx A 86 ASP H 1.0 1.8 4.0 1265 1143 A 85 LYS HBy A 86 ASP H 1.0 1.8 4.0 1266 1144 A 85 LYS HGx A 86 ASP H 1.0 1.9 4.1 1267 1144 A 85 LYS HGy A 86 ASP H 1.0 1.9 4.1 1268 1145 A 87 ILE HG1x A 86 ASP H 1.0 2.0 5.6 1269 1146 A 87 ILE HG2% A 86 ASP H 1.0 1.9 6.0 1270 1146 A 87 ILE HD1% A 86 ASP H 1.0 1.9 6.0 1271 1147 A 84 TRP HA A 86 ASP H 1.0 2.0 5.0 1272 1148 A 85 LYS HA A 86 ASP H 1.0 1.9 4.5 1273 1149 A 88 GLN H A 87 ILE H 1.0 2.0 6.0 1274 1150 A 48 CYS HA A 87 ILE H 1.0 1.9 6.0 1275 1151 A 86 ASP HA A 87 ILE H 1.0 1.9 4.3 1276 1152 A 87 ILE HA A 87 ILE H 1.0 1.8 3.6 1277 1153 A 88 GLN HA A 87 ILE H 1.0 2.0 6.0 1278 1154 A 84 TRP HA A 87 ILE H 1.0 1.9 4.5 1279 1155 A 86 ASP HBy A 87 ILE H 1.0 2.0 5.6 1280 1156 A 86 ASP HBx A 87 ILE H 1.0 2.0 5.8 1281 1157 A 87 ILE HG1y A 87 ILE H 1.0 1.9 4.7 1282 1158 A 87 ILE HB A 87 ILE H 1.0 1.6 2.8 1283 1159 A 49 ARG HBy A 87 ILE H 1.0 1.9 6.0 1284 1160 A 49 ARG HBx A 87 ILE H 1.0 2.0 5.4 1285 1161 A 87 ILE HG1x A 87 ILE H 1.0 1.8 3.8 1286 1162 A 87 ILE HD1% A 87 ILE H 1.0 1.9 5.1 1287 1162 A 87 ILE HG2% A 87 ILE H 1.0 1.9 5.1 1288 1163 A 40 LEU HDx% A 87 ILE H 1.0 0.0 6.0 1289 1164 A 40 LEU HDy% A 87 ILE H 1.0 0.0 6.0 1290 1165 A 49 ARG H A 88 GLN H 1.0 2.0 6.0 1291 1166 A 88 GLN H A 47 LEU H 1.0 1.9 3.9 1292 1167 A 55 TYR HE% A 88 GLN H 1.0 2.0 5.8 1293 1168 A 48 CYS HA A 88 GLN H 1.0 2.0 5.2 1294 1169 A 87 ILE HA A 88 GLN H 1.0 1.5 2.7 1295 1170 A 88 GLN HA A 88 GLN H 1.0 1.8 3.6 1296 1171 A 88 GLN HGy A 88 GLN H 1.0 1.9 4.7 1297 1171 A 88 GLN HGx A 88 GLN H 1.0 1.9 4.7 1298 1172 A 47 LEU HBy A 88 GLN H 1.0 1.9 4.3 1299 1173 A 47 LEU HG A 88 GLN H 1.0 2.0 6.0 1300 1173 A 47 LEU HBx A 88 GLN H 1.0 2.0 6.0 1301 1174 A 87 ILE HG1x A 88 GLN H 1.0 1.9 6.0 1302 1175 A 87 ILE HG2% A 88 GLN H 1.0 1.8 4.2 1303 1176 A 89 HIS HD2 A 89 HIS H 1.0 2.0 6.0 1304 1177 A 46 VAL HGx% A 90 ALA H 1.0 0.0 6.0 1305 1178 A 46 VAL HGy% A 90 ALA H 1.0 1.9 4.1 1306 1179 A 90 ALA HB% A 90 ALA H 1.0 1.8 3.4 1307 1180 A 46 VAL HB A 90 ALA H 1.0 1.9 6.0 1308 1181 A 45 TYR HBx A 90 ALA H 1.0 2.0 6.0 1309 1182 A 89 HIS HBx A 90 ALA H 1.0 2.0 5.4 1310 1183 A 90 ALA HA A 90 ALA H 1.0 1.8 4.0 1311 1184 A 89 HIS HA A 90 ALA H 1.0 1.7 2.9 1312 1185 A 46 VAL HA A 90 ALA H 1.0 1.6 3.0 1313 1186 A 45 TYR HD% A 90 ALA H 1.0 0.0 6.0 1314 1187 A 90 ALA H A 47 LEU H 1.0 1.9 6.0 1315 1188 A 91 GLY H A 91 GLY HA3 1.0 1.8 3.6 1316 1188 A 91 GLY H A 91 GLY HA2 1.0 1.8 3.6 1317 1189 A 90 ALA HA A 91 GLY H 1.0 1.7 3.5 1318 1190 A 89 HIS HBx A 91 GLY H 1.0 1.9 6.0 1319 1191 A 90 ALA HB% A 91 GLY H 1.0 1.9 4.9 1320 1192 A 92 VAL HGy% A 91 GLY H 1.0 1.9 6.0 1321 1193 A 47 LEU HDx% A 91 GLY H 1.0 0.0 6.0 1322 1194 A 94 GLY HAx A 94 GLY H 1.0 1.8 3.6 1323 1195 A 93 PRO HB2 A 94 GLY H 1.0 2.0 5.4 1324 1196 A 93 PRO HG2 A 94 GLY H 1.0 2.0 6.0 1325 1197 A 92 VAL HGy% A 94 GLY H 1.0 2.0 6.0 1326 1198 A 95 GLU HA A 95 GLU H 1.0 1.9 4.5 1327 1199 A 94 GLY HAx A 95 GLU H 1.0 1.8 3.8 1328 1200 A 95 GLU HG2 A 95 GLU H 1.0 2.0 6.0 1329 1201 A 92 VAL HB A 95 GLU H 1.0 0.0 6.0 1330 1202 A 94 GLY H A 95 GLU H 1.0 2.0 4.8 1331 1203 A 95 GLU H A 95 GLU HB2 1.0 2.0 5.2 1332 1204 A 92 VAL HGy% A 95 GLU H 1.0 2.0 6.0 1333 1205 A 93 PRO HA A 95 GLU H 1.0 2.0 6.0 1334 1206 A 91 GLY H A 92 VAL H 1.0 1.9 4.1 1335 1207 A 92 VAL HA A 92 VAL H 1.0 1.8 3.6 1336 1208 A 91 GLY HA3 A 92 VAL H 1.0 1.8 3.6 1337 1208 A 91 GLY HA2 A 92 VAL H 1.0 1.8 3.6 1338 1209 A 92 VAL HB A 92 VAL H 1.0 1.9 3.9 1339 1210 A 92 VAL HGy% A 92 VAL H 1.0 1.7 3.3 1340 1211 A 90 ALA HB% A 92 VAL H 1.0 0.0 6.0 1341 1212 A 40 LEU H A 39 LYS H 1.0 2.0 6.0 1342 1213 A 38 SER HB2 A 39 LYS H 1.0 2.0 6.0 1343 1214 A 39 LYS HBy A 39 LYS H 1.0 2.0 6.0 1344 1215 A 39 LYS HD2 A 39 LYS H 1.0 2.0 5.2 1345 1215 A 39 LYS HBx A 39 LYS H 1.0 2.0 5.2 1346 1216 A 39 LYS HGx A 39 LYS H 1.0 2.0 6.0 1347 1216 A 39 LYS HGy A 39 LYS H 1.0 2.0 6.0 1348 1217 A 81 TRP HE3 A 82 VAL H 1.0 1.9 5.3 1349 1218 A 69 SER HA A 82 VAL H 1.0 2.0 6.0 1350 1219 A 81 TRP HA A 82 VAL H 1.0 1.6 2.8 1351 1220 A 82 VAL HA A 82 VAL H 1.0 1.8 4.0 1352 1221 A 69 SER HBx A 82 VAL H 1.0 2.0 6.0 1353 1222 A 81 TRP HBx A 82 VAL H 1.0 2.0 6.0 1354 1222 A 81 TRP HBy A 82 VAL H 1.0 2.0 6.0 1355 1223 A 82 VAL HB A 82 VAL H 1.0 1.7 3.3 1356 1224 A 72 VAL HB A 82 VAL H 1.0 1.9 6.0 1357 1225 A 82 VAL HGx% A 82 VAL H 1.0 1.8 3.6 1358 1225 A 82 VAL HGy% A 82 VAL H 1.0 1.8 3.6 1359 1226 A 72 VAL HGy% A 82 VAL H 1.0 0.0 6.0 1360 1227 A 71 LEU HDx% A 82 VAL H 1.0 0.0 6.0 1361 1228 A 54 LEU H A 50 TRP H 1.0 2.0 5.0 1362 1229 A 50 TRP HE3 A 50 TRP H 1.0 1.9 6.0 1363 1230 A 56 TYR HE% A 50 TRP H 1.0 0.0 6.0 1364 1231 A 56 TYR HD% A 50 TRP H 1.0 0.0 6.0 1365 1232 A 71 LEU HDx% A 71 LEU HBx 1.0 1.9 4.3 1366 1233 A 71 LEU HDy% A 71 LEU HBx 1.0 1.6 3.0 1367 1234 A 71 LEU HG A 71 LEU HBx 1.0 1.8 3.6 1368 1235 A 61 LYS HBx A 71 LEU HBx 1.0 2.0 4.6 1369 1236 A 71 LEU HBx A 62 ARG HGy 1.0 2.0 5.4 1370 1236 A 62 ARG HBx A 71 LEU HBx 1.0 2.0 5.4 1371 1237 A 71 LEU HBx A 71 LEU HA 1.0 1.8 3.8 1372 1238 A 71 LEU HDx% A 81 TRP HBy 1.0 0.0 6.0 1373 1239 A 81 TRP HA A 71 LEU HBx 1.0 2.0 6.0 1374 1240 A 81 TRP HD1 A 81 TRP HBx 1.0 1.8 4.0 1375 1241 A 81 TRP HA A 81 TRP HBx 1.0 1.9 4.3 1376 1242 A 81 TRP HZ2 A 81 TRP HH2 1.0 1.6 2.8 1377 1243 A 81 TRP HH2 A 81 TRP HZ3 1.0 1.7 3.1 1378 1244 A 81 TRP HE3 A 81 TRP HZ3 1.0 1.7 3.1 1379 1245 A 81 TRP HZ2 A 81 TRP HZ3 1.0 2.0 5.4 1380 1246 A 81 TRP HH2 A 81 TRP HE3 1.0 2.0 5.4 1381 1247 A 81 TRP HA A 81 TRP HE3 1.0 1.9 3.9 1382 1248 A 71 LEU HDx% A 81 TRP HE3 1.0 0.0 6.0 1383 1249 A 71 LEU HDx% A 81 TRP HH2 1.0 0.0 6.0 1384 1250 A 71 LEU HDx% A 81 TRP HZ3 1.0 0.0 6.0 1385 1251 A 81 TRP HZ2 A 71 LEU HBx 1.0 2.0 6.0 1386 1252 A 71 LEU HBx A 81 TRP HE3 1.0 1.9 6.0 1387 1253 A 81 TRP HH2 A 71 LEU HBx 1.0 2.0 5.6 1388 1254 A 71 LEU HDy% A 81 TRP HD1 1.0 2.0 6.0 1389 1255 A 84 TRP HZ3 A 84 TRP HE3 1.0 1.7 3.1 1390 1256 A 84 TRP HH2 A 84 TRP HE3 1.0 2.0 6.0 1391 1257 A 84 TRP HH2 A 84 TRP HZ3 1.0 1.7 3.1 1392 1258 A 84 TRP HZ2 A 84 TRP HZ3 1.0 2.0 5.4 1393 1259 A 84 TRP HA A 84 TRP HE3 1.0 0.0 6.0 1394 1260 A 84 TRP HBy A 84 TRP HE3 1.0 1.9 4.1 1395 1261 A 45 TYR HE% A 45 TYR HD% 1.0 1.4 2.4 1396 1262 A 45 TYR HA A 45 TYR HE% 1.0 1.9 6.0 1397 1263 A 55 TYR HBx A 55 TYR HD% 1.0 1.8 3.4 1398 1264 A 55 TYR HBy A 55 TYR HD% 1.0 1.8 3.6 1399 1265 A 55 TYR HE% A 55 TYR HD% 1.0 1.4 2.4 1400 1266 A 74 PHE HBx A 74 PHE HD% 1.0 1.9 3.9 1401 1267 A 70 CYS HA A 81 TRP HZ3 1.0 1.8 3.8 1402 1268 A 70 CYS HA A 81 TRP HE3 1.0 1.9 4.7 1403 1269 A 81 TRP HE3 A 69 SER HA 1.0 2.0 6.0 1404 1270 A 81 TRP HZ3 A 69 SER HA 1.0 0.0 6.0 1405 1271 A 84 TRP HD1 A 69 SER HA 1.0 1.8 3.4 1406 1272 A 81 TRP HH2 A 70 CYS HA 1.0 2.0 6.0 1407 1273 A 65 SER HA A 84 TRP HZ3 1.0 2.0 6.0 1408 1274 A 84 TRP HD1 A 83 LEU HA 1.0 2.0 5.8 1409 1275 A 84 TRP HH2 A 65 SER HB2 1.0 1.9 3.7 1410 1276 A 65 SER HB2 A 84 TRP HZ3 1.0 2.0 6.0 1411 1277 A 65 SER HA A 65 SER HB2 1.0 1.7 2.9 1412 1278 A 81 TRP HA A 81 TRP HBy 1.0 1.8 3.8 1413 1279 A 81 TRP HE3 A 81 TRP HBx 1.0 2.0 5.6 1414 1280 A 64 SER HBy A 81 TRP HZ3 1.0 1.8 3.8 1415 1281 A 81 TRP HH2 A 64 SER HBy 1.0 1.9 4.3 1416 1282 A 69 SER HA A 69 SER HBy 1.0 1.8 3.4 1417 1283 A 84 TRP HA A 84 TRP HD1 1.0 1.7 3.1 1418 1284 A 84 TRP HZ2 A 65 SER HA 1.0 1.7 3.3 1419 1285 A 84 TRP HH2 A 65 SER HA 1.0 1.8 3.4 1420 1286 A 81 TRP HE3 A 69 SER HBy 1.0 1.7 3.3 1421 1287 A 81 TRP HE3 A 69 SER HBx 1.0 1.9 4.5 1422 1288 A 81 TRP HH2 A 64 SER HA 1.0 2.0 6.0 1423 1289 A 51 THR HB A 51 THR HA 1.0 1.8 3.4 1424 1290 A 51 THR HG2% A 51 THR HA 1.0 1.7 3.1 1425 1291 A 73 THR HB A 73 THR HG2% 1.0 1.6 2.6 1426 1292 A 72 VAL HB A 72 VAL HA 1.0 1.9 4.1 1427 1293 A 82 VAL HGy% A 82 VAL HA 1.0 1.7 3.1 1428 1294 A 40 LEU HDx% A 40 LEU HBy 1.0 1.8 4.2 1429 1295 A 40 LEU HDx% A 40 LEU HG 1.0 1.7 2.9 1430 1296 A 40 LEU HA A 40 LEU HBy 1.0 1.9 4.1 1431 1297 A 47 LEU HA A 47 LEU HDy% 1.0 1.8 3.8 1432 1298 A 47 LEU HBx A 47 LEU HBy 1.0 1.4 2.2 1433 1299 A 54 LEU HA A 54 LEU HBy 1.0 2.0 4.6 1434 1300 A 54 LEU HA A 54 LEU HDx% 1.0 1.8 4.2 1435 1301 A 54 LEU HA A 54 LEU HDx% 1.0 1.7 3.3 1436 1301 A 54 LEU HA A 54 LEU HDy% 1.0 1.7 3.3 1437 1302 A 54 LEU HDy% A 54 LEU HBy 1.0 1.8 3.6 1438 1302 A 54 LEU HDx% A 54 LEU HBy 1.0 1.8 3.6 1439 1303 A 57 LEU HBy A 57 LEU HBx 1.0 1.5 2.3 1440 1304 A 57 LEU HDx% A 57 LEU HG 1.0 1.6 2.8 1441 1305 A 71 LEU HBy A 71 LEU HA 1.0 1.8 3.4 1442 1306 A 71 LEU HG A 71 LEU HA 1.0 1.8 3.8 1443 1307 A 71 LEU HDy% A 71 LEU HA 1.0 2.0 5.0 1444 1308 A 71 LEU HBy A 71 LEU HDy% 1.0 1.7 3.1 1445 1309 A 71 LEU HBy A 71 LEU HG 1.0 1.8 3.8 1446 1310 A 83 LEU HB2 A 83 LEU HDy% 1.0 1.8 3.8 1447 1311 A 83 LEU HA A 83 LEU HG 1.0 1.8 3.4 1448 1312 A 60 ILE HA A 60 ILE HB 1.0 1.8 3.8 1449 1313 A 60 ILE HA A 60 ILE HG1y 1.0 1.8 3.4 1450 1314 A 60 ILE HG1x A 60 ILE HG1y 1.0 1.4 2.2 1451 1315 A 87 ILE HB A 87 ILE HG1x 1.0 1.9 3.7 1452 1316 A 39 LYS HA A 39 LYS HGy 1.0 1.9 4.5 1453 1317 A 39 LYS HA A 39 LYS HGx 1.0 1.9 4.1 1454 1318 A 59 LYS HA A 59 LYS HGy 1.0 2.0 5.4 1455 1319 A 59 LYS HA A 59 LYS HDx 1.0 1.8 3.8 1456 1319 A 59 LYS HA A 59 LYS HBy 1.0 1.8 3.8 1457 1320 A 79 LYS HA A 73 THR HG2% 1.0 2.0 5.4 1458 1321 A 85 LYS HGy A 85 LYS HA 1.0 2.0 5.6 1459 1322 A 85 LYS HGx A 85 LYS HA 1.0 2.0 5.4 1460 1323 A 49 ARG HA A 49 ARG HBy 1.0 1.8 3.8 1461 1324 A 49 ARG HA A 49 ARG HBx 1.0 2.0 4.8 1462 1325 A 62 ARG HA A 62 ARG HGy 1.0 1.7 3.3 1463 1325 A 62 ARG HA A 62 ARG HBx 1.0 1.7 3.3 1464 1326 A 42 GLU HGy A 42 GLU HA 1.0 1.9 4.3 1465 1327 A 42 GLU HGx A 42 GLU HA 1.0 1.8 3.6 1466 1328 A 44 GLN HA A 44 GLN HBx 1.0 1.8 3.6 1467 1329 A 45 TYR HA A 45 TYR HB3 1.0 1.8 3.6 1468 1330 A 45 TYR HA A 45 TYR HBx 1.0 1.9 4.1 1469 1331 A 48 CYS HBy A 48 CYS HA 1.0 1.9 3.9 1470 1332 A 48 CYS HBx A 48 CYS HA 1.0 1.8 3.4 1471 1333 A 76 ASP HA A 76 ASP HBy 1.0 1.7 3.1 1472 1334 A 86 ASP HBx A 86 ASP HA 1.0 1.8 3.4 1473 1335 A 55 TYR HBy A 55 TYR HBx 1.0 1.4 2.2 1474 1336 A 70 CYS HBy A 70 CYS HA 1.0 1.8 3.6 1475 1337 A 70 CYS HA A 70 CYS HBx 1.0 1.7 3.5 1476 1338 A 63 VAL HA A 70 CYS HA 1.0 1.7 2.9 1477 1339 A 75 GLU HA A 75 GLU HBy 1.0 1.8 3.4 1478 1340 A 75 GLU HA A 75 GLU HBx 1.0 1.9 4.1 1479 1341 A 76 ASP HA A 76 ASP HBx 1.0 1.9 4.3 1480 1342 A 76 ASP HBx A 76 ASP HBy 1.0 1.7 2.9 1481 1343 A 88 GLN HGy A 88 GLN HA 1.0 1.9 4.5 1482 1344 A 88 GLN HBy A 88 GLN HBx 1.0 1.5 2.3 1483 1345 A 88 GLN HGy A 88 GLN HBy 1.0 1.9 4.1 1484 1346 A 88 GLN HGy A 88 GLN HBx 1.0 1.8 3.8 1485 1347 A 93 PRO HA A 93 PRO HDy 1.0 0.0 6.0 1486 1348 A 93 PRO HA A 93 PRO HDx 1.0 1.8 3.6 1487 1349 A 48 CYS HA A 82 VAL HGx% 1.0 1.9 5.1 1488 1350 A 87 ILE HD1% A 48 CYS HA 1.0 2.0 6.0 1489 1351 A 46 VAL HGx% A 48 CYS HA 1.0 2.0 6.0 1490 1352 A 87 ILE HG1y A 48 CYS HA 1.0 2.0 4.8 1491 1353 A 63 VAL HB A 70 CYS HA 1.0 2.0 6.0 1492 1354 A 60 ILE HD1% A 70 CYS HA 1.0 0.0 6.0 1493 1355 A 70 CYS HA A 72 VAL HGy% 1.0 0.0 6.0 1494 1356 A 69 SER HA A 83 LEU HG 1.0 2.0 5.8 1495 1357 A 69 SER HA A 83 LEU HB2 1.0 1.9 6.0 1496 1358 A 40 LEU HDy% A 69 SER HA 1.0 0.0 6.0 1497 1359 A 87 ILE HD1% A 69 SER HA 1.0 2.0 5.2 1498 1360 B 35 VAL HG2% B 35 VAL HA 1.0 1.8 3.8 1499 1361 A 49 ARG HBy A 86 ASP HA 1.0 2.0 5.8 1500 1362 A 49 ARG HBx A 86 ASP HA 1.0 1.9 4.1 1501 1363 A 73 THR HA A 79 LYS HB2 1.0 2.0 5.8 1502 1364 A 84 TRP HZ2 A 40 LEU HDy% 1.0 0.0 6.0 1503 1365 A 40 LEU HDx% A 89 HIS HE2 1.0 1.9 4.5 1504 1366 A 40 LEU HG A 84 TRP HE3 1.0 0.0 6.0 1505 1367 A 40 LEU HBx A 84 TRP HE3 1.0 0.0 6.0 1506 1367 A 40 LEU HBy A 84 TRP HE3 1.0 0.0 6.0 1507 1368 A 74 PHE HD% A 80 TYR HD% 1.0 0.0 6.0 1508 1369 A 80 TYR HE% A 74 PHE HD% 1.0 0.0 6.0 1509 1370 A 80 TYR HE% A 80 TYR HD% 1.0 1.9 4.7 1510 1371 A 50 TRP HZ3 A 50 TRP HE3 1.0 1.9 3.9 1511 1372 A 55 TYR HA A 49 ARG HA 1.0 1.8 3.8 1512 1373 A 50 TRP HBx A 50 TRP HD1 1.0 2.0 5.4 1513 1374 A 82 VAL HGx% A 50 TRP HE3 1.0 2.0 5.2 1514 1375 A 82 VAL HGy% A 50 TRP HE3 1.0 2.0 6.0 1515 1376 A 82 VAL HGy% A 50 TRP HZ3 1.0 2.0 5.6 1516 1377 A 82 VAL HGy% A 50 TRP HZ2 1.0 0.0 6.0 1517 1378 A 50 TRP HD1 A 50 TRP HA 1.0 2.0 6.0 1518 1379 A 70 CYS HBx A 72 VAL HGy% 1.0 0.0 6.0 1519 1380 A 60 ILE HG2% A 70 CYS HBx 1.0 1.9 3.9 1520 1381 A 70 CYS HBy A 72 VAL HGy% 1.0 1.9 4.1 1521 1382 A 60 ILE HG2% A 42 GLU HBx 1.0 2.0 6.0 1522 1383 A 46 VAL HGy% A 44 GLN HG2 1.0 0.0 6.0 1523 1384 A 46 VAL HGy% A 44 GLN HG3 1.0 0.0 6.0 1524 1385 A 46 VAL HGy% A 44 GLN HBx 1.0 2.0 6.0 1525 1386 A 46 VAL HB A 60 ILE HD1% 1.0 1.9 4.5 1526 1387 A 47 LEU HDx% A 55 TYR HBx 1.0 1.9 4.7 1527 1388 A 45 TYR HA A 59 LYS HGx 1.0 2.0 5.4 1528 1389 A 45 TYR HD% A 59 LYS HGy 1.0 0.0 6.0 1529 1390 A 45 TYR HA A 57 LEU HDx% 1.0 2.0 6.0 1530 1391 B 32 THR HB B 32 THR HA 1.0 1.8 3.8 1531 1392 A 59 LYS HA A 45 TYR HD% 1.0 1.9 5.7 1532 1393 A 44 GLN HA A 45 TYR HD% 1.0 2.0 6.0 1533 1394 A 44 GLN HA A 45 TYR HA 1.0 1.9 6.0 1534 1395 A 45 TYR HD% A 43 GLY HAy 1.0 0.0 6.0 1535 1396 A 45 TYR HE% A 59 LYS HEy 1.0 1.9 5.1 1536 1396 A 45 TYR HE% A 59 LYS HEx 1.0 1.9 5.1 1537 1397 A 59 LYS HEx A 43 GLY HAy 1.0 1.8 3.8 1538 1397 A 43 GLY HAy A 59 LYS HEy 1.0 1.8 3.8 1539 1398 A 59 LYS HEx A 59 LYS HDy 1.0 1.8 3.6 1540 1398 A 59 LYS HDx A 59 LYS HEx 1.0 1.8 3.6 1541 1398 A 59 LYS HBy A 59 LYS HEx 1.0 1.8 3.6 1542 1399 A 59 LYS HEx A 59 LYS HGy 1.0 1.8 4.2 1543 1399 A 59 LYS HGy A 59 LYS HEy 1.0 1.8 4.2 1544 1400 A 59 LYS HEx A 59 LYS HGx 1.0 1.9 4.1 1545 1400 A 59 LYS HGx A 59 LYS HEy 1.0 1.9 4.1 1546 1401 A 43 GLY HAx A 59 LYS HEy 1.0 2.0 5.8 1547 1401 A 59 LYS HEx A 43 GLY HAx 1.0 2.0 5.8 1548 1402 A 55 TYR HE% A 49 ARG HDy 1.0 2.0 5.4 1549 1403 A 49 ARG HGx A 49 ARG HDx 1.0 1.9 4.1 1550 1404 A 49 ARG HBx A 49 ARG HDy 1.0 1.9 4.1 1551 1405 A 49 ARG HBx A 49 ARG HDx 1.0 2.0 4.8 1552 1406 A 49 ARG HGy A 49 ARG HDx 1.0 1.7 3.3 1553 1407 A 55 TYR HD% A 49 ARG HBy 1.0 1.8 4.0 1554 1408 A 55 TYR HE% A 49 ARG HBy 1.0 1.9 3.9 1555 1409 A 55 TYR HE% A 49 ARG HGy 1.0 2.0 5.0 1556 1410 A 55 TYR HE% A 49 ARG HBx 1.0 2.0 5.4 1557 1411 A 70 CYS HA A 71 LEU HA 1.0 2.0 6.0 1558 1412 A 48 CYS HBy A 74 PHE HE% 1.0 0.0 6.0 1559 1413 A 48 CYS HBy A 74 PHE HD% 1.0 0.0 6.0 1560 1414 A 48 CYS HBx A 74 PHE HE% 1.0 0.0 6.0 1561 1415 A 48 CYS HBx A 74 PHE HZ 1.0 1.8 4.2 1562 1416 A 83 LEU HA A 69 SER HBy 1.0 1.9 5.1 1563 1417 A 71 LEU HDy% A 62 ARG HDy 1.0 2.0 5.2 1564 1418 A 71 LEU HDy% A 79 LYS HE2 1.0 1.9 3.9 1565 1419 A 40 LEU HDy% A 38 SER HB2 1.0 2.0 5.6 1566 1420 A 40 LEU HDy% A 84 TRP HBy 1.0 2.0 4.8 1567 1421 A 40 LEU HG A 38 SER HB2 1.0 2.0 5.8 1568 1422 A 46 VAL HGx% A 60 ILE HA 1.0 2.0 6.0 1569 1423 A 46 VAL HGx% A 60 ILE HG1y 1.0 2.0 4.8 1570 1424 A 42 GLU HA A 42 GLU HBy 1.0 1.7 3.1 1571 1425 A 92 VAL HA A 92 VAL HGx% 1.0 1.8 3.6 1572 1426 A 95 GLU HA A 95 GLU HB2 1.0 1.8 3.8 1573 1427 A 92 VAL HGy% A 94 GLY HAy 1.0 2.0 6.0 1574 1428 A 41 THR HB A 42 GLU HGy 1.0 1.9 6.0 1575 1429 A 45 TYR HBx A 57 LEU HDx% 1.0 2.0 6.0 1576 1430 A 45 TYR HB3 A 57 LEU HDx% 1.0 1.9 4.5 1577 1431 A 87 ILE HG2% A 88 GLN HA 1.0 1.9 4.7 1578 1432 A 89 HIS HA A 89 HIS HD2 1.0 1.9 4.9 1579 1433 A 46 VAL HGy% A 89 HIS HD2 1.0 0.0 6.0 1580 1434 A 41 THR HA A 42 GLU HA 1.0 2.0 5.8 1581 1435 A 61 LYS HA A 61 LYS HDy 1.0 1.6 2.8 1582 1435 A 61 LYS HA A 61 LYS HBy 1.0 1.6 2.8 1583 1435 A 61 LYS HA A 61 LYS HBx 1.0 1.6 2.8 1584 1436 A 61 LYS HA A 61 LYS HDx 1.0 1.9 4.5 1585 1437 A 63 VAL HA A 70 CYS HBx 1.0 2.0 5.2 1586 1438 A 74 PHE HE% A 80 TYR HBy 1.0 0.0 6.0 1587 1439 A 62 ARG HDy A 62 ARG HGx 1.0 1.9 3.9 1588 1440 A 62 ARG HDy A 62 ARG HGy 1.0 1.9 4.7 1589 1440 A 62 ARG HBx A 62 ARG HDy 1.0 1.9 4.7 1590 1441 A 62 ARG HDx A 62 ARG HGx 1.0 1.9 4.7 1591 1442 A 62 ARG HBx A 62 ARG HDx 1.0 1.8 3.6 1592 1442 A 62 ARG HDx A 62 ARG HGy 1.0 1.8 3.6 1593 1443 B 40 ARG HD2 B 40 ARG HG2 1.0 1.8 3.4 1594 1444 B 40 ARG HD2 B 40 ARG HBy 1.0 2.0 5.4 1595 1445 B 40 ARG HD2 B 40 ARG HBx 1.0 1.9 4.5 1596 1446 B 40 ARG HD2 B 40 ARG HA 1.0 2.0 5.2 1597 1447 A 63 VAL HA A 81 TRP HZ3 1.0 2.0 5.2 1598 1448 A 57 LEU HDx% B 39 HIS HE1 1.0 0.0 6.0 1599 1449 A 57 LEU HDy% B 39 HIS HE1 1.0 2.0 6.0 1600 1450 A 54 LEU HDx% B 40 ARG HA 1.0 0.0 6.0 1601 1450 A 54 LEU HDy% B 40 ARG HA 1.0 0.0 6.0 1602 1451 B 40 ARG HG2 B 40 ARG HA 1.0 1.7 3.1 1603 1451 B 40 ARG HA B 40 ARG HG3 1.0 1.7 3.1 1604 1452 B 40 ARG HBy B 40 ARG HA 1.0 1.6 2.8 1605 1453 B 40 ARG HBx B 40 ARG HA 1.0 1.7 3.1 1606 1454 B 40 ARG HD2 B 40 ARG HG3 1.0 1.5 2.7 1607 1454 B 40 ARG HG2 B 40 ARG HD3 1.0 1.5 2.7 1608 1454 B 40 ARG HD2 B 40 ARG HG2 1.0 1.5 2.7 1609 1454 B 40 ARG HG3 B 40 ARG HD3 1.0 1.5 2.7 1610 1455 B 40 ARG HBy B 40 ARG HD3 1.0 1.9 4.3 1611 1455 B 40 ARG HD2 B 40 ARG HBy 1.0 1.9 4.3 1612 1456 B 40 ARG HBx B 40 ARG HD3 1.0 1.7 3.3 1613 1456 B 40 ARG HD2 B 40 ARG HBx 1.0 1.7 3.3 1614 1457 B 35 VAL HA B 35 VAL HB 1.0 1.8 3.6 1615 1458 B 31 ALA HA B 31 ALA HB% 1.0 1.6 3.0 1616 1459 B 41 TYR HD% B 41 TYR HA 1.0 1.9 4.1 1617 1460 B 41 TYR HD% B 41 TYR HBy 1.0 1.8 3.6 1618 1461 B 41 TYR HA B 41 TYR HBx 1.0 1.8 3.6 1619 1462 B 41 TYR HA B 41 TYR HBy 1.0 1.9 4.5 1620 1463 B 39 HIS HA B 39 HIS HBy 1.0 1.7 3.1 1621 1464 B 39 HIS HA B 39 HIS HBx 1.0 1.8 3.6 1622 1465 B 39 HIS HA B 39 HIS HD2 1.0 2.0 6.0 1623 1466 B 40 ARG HD2 B 40 ARG HA 1.0 1.8 3.8 1624 1466 B 40 ARG HA B 40 ARG HD3 1.0 1.8 3.8 1625 1467 A 54 LEU HDy% B 38 PRO HBy 1.0 0.0 6.0 1626 1467 A 54 LEU HDx% B 38 PRO HBy 1.0 0.0 6.0 1627 1468 A 54 LEU HDy% B 38 PRO HBx 1.0 0.0 6.0 1628 1468 A 54 LEU HDx% B 38 PRO HGy 1.0 0.0 6.0 1629 1468 A 54 LEU HDx% B 38 PRO HBx 1.0 0.0 6.0 1630 1469 B 38 PRO HBx B 38 PRO HDy 1.0 1.8 3.4 1631 1469 B 38 PRO HGy B 38 PRO HA 1.0 1.8 3.4 1632 1469 B 38 PRO HGy B 38 PRO HDy 1.0 1.8 3.4 1633 1469 B 38 PRO HBx B 38 PRO HA 1.0 1.8 3.4 1634 1470 B 38 PRO HBx B 38 PRO HDx 1.0 1.6 2.8 1635 1470 B 38 PRO HGy B 38 PRO HDx 1.0 1.6 2.8 1636 1471 B 38 PRO HBy B 38 PRO HDy 1.0 1.9 3.9 1637 1471 B 38 PRO HBy B 38 PRO HA 1.0 1.9 3.9 1638 1471 B 38 PRO HGx B 38 PRO HDy 1.0 1.9 3.9 1639 1472 B 38 PRO HBy B 38 PRO HDx 1.0 2.0 4.6 1640 1472 B 38 PRO HGx B 38 PRO HDx 1.0 2.0 4.6 1641 1473 A 54 LEU HBx B 38 PRO HGy 1.0 2.0 4.6 1642 1473 A 54 LEU HBx B 38 PRO HBx 1.0 2.0 4.6 1643 1474 A 54 LEU HG B 38 PRO HGy 1.0 0.0 6.0 1644 1474 A 54 LEU HG B 38 PRO HBx 1.0 0.0 6.0 1645 1475 B 32 THR HB B 32 THR HG2% 1.0 1.7 3.3 1646 1476 B 32 THR HA B 32 THR HG2% 1.0 1.8 3.6 1647 1477 A 47 LEU HDx% B 39 HIS HE1 1.0 2.0 6.0 1648 1478 A 47 LEU HDy% B 39 HIS HE1 1.0 2.0 6.0 1649 1479 A 47 LEU HDy% B 39 HIS HD2 1.0 2.0 6.0 1650 1480 A 47 LEU HDx% B 39 HIS HD2 1.0 2.0 5.8 1651 1481 B 37 LYS HE3 B 37 LYS HGy 1.0 1.9 4.3 1652 1481 B 37 LYS HE3 B 37 LYS HGx 1.0 1.9 4.3 1653 1482 B 35 VAL HG2% B 37 LYS HE3 1.0 0.0 6.0 1654 1483 B 35 VAL HG2% B 34 GLY HAy 1.0 1.9 5.5 1655 1484 B 35 VAL HG2% B 34 GLY HAx 1.0 0.0 6.0 1656 1485 B 37 LYS HE3 B 37 LYS HBy 1.0 2.0 6.0 1657 1486 B 37 LYS HE3 B 37 LYS HGy 1.0 1.8 4.2 1658 1487 B 37 LYS HE3 B 37 LYS HGx 1.0 1.9 4.3 1659 1488 B 40 ARG HBy B 41 TYR HD% 1.0 0.0 6.0 1660 1489 B 40 ARG HA B 41 TYR HD% 1.0 0.0 6.0 1661 1490 A 56 TYR HD% B 38 PRO HGy 1.0 0.0 6.0 1662 1490 A 56 TYR HD% B 38 PRO HBx 1.0 0.0 6.0 1663 1491 B 41 TYR HD% B 41 TYR HE% 1.0 1.6 2.8 1664 1492 A 47 LEU HDx% B 41 TYR HD% 1.0 2.0 5.6 1665 1493 A 47 LEU HDx% B 41 TYR HE% 1.0 0.0 6.0 1666 1494 A 54 LEU HDx% B 38 PRO HGy 1.0 0.0 6.0 1667 1494 A 54 LEU HDx% B 38 PRO HBx 1.0 0.0 6.0 1668 1495 A 54 LEU HBx B 38 PRO HGx 1.0 2.0 6.0 1669 1495 A 54 LEU HBx B 38 PRO HBy 1.0 2.0 6.0 1670 1496 A 54 LEU HDy% B 40 ARG HA 1.0 0.0 6.0 1671 1497 A 54 LEU HDy% B 38 PRO HGy 1.0 2.0 6.0 1672 1497 A 54 LEU HDy% B 38 PRO HBx 1.0 2.0 6.0 1673 1498 A 54 LEU HDy% B 38 PRO HGx 1.0 2.0 6.0 1674 1498 A 54 LEU HDy% B 38 PRO HBy 1.0 2.0 6.0 1675 1499 A 54 LEU HDy% B 40 ARG HBx 1.0 0.0 6.0 1676 1499 A 54 LEU HDy% B 40 ARG HBy 1.0 0.0 6.0 1677 1499 A 54 LEU HDy% B 40 ARG HG2 1.0 0.0 6.0 1678 1499 A 54 LEU HDy% B 40 ARG HG3 1.0 0.0 6.0 1679 1500 A 72 VAL HGx% A 74 PHE HE% 1.0 0.0 6.0 1680 1501 A 45 TYR HA A 45 TYR HD% 1.0 1.8 3.6 1681 1502 A 45 TYR HB3 A 45 TYR HD% 1.0 1.8 3.4 1682 1503 A 55 TYR HD% A 55 TYR HA 1.0 1.8 4.0 1683 1504 A 47 LEU HBx A 55 TYR HD% 1.0 1.7 3.3 1684 1505 A 47 LEU HDy% A 55 TYR HD% 1.0 2.0 6.0 1685 1506 A 55 TYR HD% A 49 ARG HA 1.0 1.9 4.9 1686 1507 A 55 TYR HD% A 48 CYS HA 1.0 2.0 5.4 1687 1508 A 47 LEU HA A 55 TYR HD% 1.0 2.0 6.0 1688 1509 A 88 GLN HGx A 55 TYR HE% 1.0 2.0 5.4 1689 1510 A 55 TYR HE% A 88 GLN HGy 1.0 2.0 5.8 1690 1511 A 55 TYR HE% A 48 CYS HA 1.0 2.0 6.0 1691 1512 A 56 TYR HBy A 74 PHE HE% 1.0 0.0 6.0 1692 1513 A 56 TYR HBy A 74 PHE HD% 1.0 0.0 6.0 1693 1514 A 74 PHE HD% A 56 TYR HBx 1.0 0.0 6.0 1694 1515 A 74 PHE HE% A 56 TYR HBx 1.0 0.0 6.0 1695 1516 A 56 TYR HBy A 56 TYR HBx 1.0 1.5 2.5 1696 1517 A 55 TYR HA A 56 TYR HD% 1.0 0.0 6.0 1697 1518 A 56 TYR HD% A 50 TRP HA 1.0 0.0 6.0 1698 1519 A 56 TYR HD% A 50 TRP HBy 1.0 0.0 6.0 1699 1520 A 56 TYR HD% A 56 TYR HBx 1.0 1.8 3.6 1700 1521 A 56 TYR HD% A 74 PHE HD% 1.0 0.0 6.0 1701 1522 A 55 TYR HA A 56 TYR HE% 1.0 0.0 6.0 1702 1523 A 50 TRP HBx A 56 TYR HE% 1.0 0.0 6.0 1703 1524 A 54 LEU HBy A 56 TYR HE% 1.0 2.0 5.0 1704 1525 A 81 TRP HD1 A 81 TRP HBy 1.0 2.0 5.2 1705 1526 A 81 TRP HE3 A 81 TRP HBy 1.0 1.9 3.9 1706 1527 A 81 TRP HA A 81 TRP HZ3 1.0 0.0 6.0 1707 1528 A 62 ARG HBy A 81 TRP HZ3 1.0 2.0 6.0 1708 1529 A 71 LEU HBx A 81 TRP HZ3 1.0 2.0 6.0 1709 1530 A 71 LEU HBy A 81 TRP HZ2 1.0 2.0 5.0 1710 1531 A 81 TRP HZ2 A 62 ARG HGx 1.0 2.0 6.0 1711 1531 A 62 ARG HBx A 81 TRP HZ2 1.0 2.0 6.0 1712 1531 A 81 TRP HZ2 A 62 ARG HGy 1.0 2.0 6.0 1713 1532 A 62 ARG HBy A 81 TRP HZ2 1.0 1.9 6.0 1714 1533 A 81 TRP HZ2 A 64 SER HBy 1.0 2.0 6.0 1715 1534 A 62 ARG HBx A 81 TRP HH2 1.0 1.9 4.9 1716 1534 A 81 TRP HH2 A 62 ARG HGx 1.0 1.9 4.9 1717 1534 A 81 TRP HH2 A 62 ARG HGy 1.0 1.9 4.9 1718 1535 A 71 LEU HBy A 81 TRP HH2 1.0 1.9 4.9 1719 1536 A 40 LEU HDx% A 84 TRP HD1 1.0 2.0 6.0 1720 1537 A 40 LEU HG A 84 TRP HD1 1.0 2.0 5.4 1721 1538 A 84 TRP HD1 A 87 ILE HG1y 1.0 1.7 6.0 1722 1539 A 70 CYS HBx A 84 TRP HD1 1.0 1.9 6.0 1723 1540 A 84 TRP HD1 A 84 TRP HBx 1.0 1.9 5.3 1724 1541 A 84 TRP HD1 A 84 TRP HBy 1.0 2.0 5.4 1725 1542 A 84 TRP HD1 A 69 SER HBy 1.0 0.0 6.0 1726 1543 A 84 TRP HD1 A 69 SER HBx 1.0 2.0 5.2 1727 1544 A 84 TRP HBx A 84 TRP HE3 1.0 1.9 3.9 1728 1545 A 68 GLN HGy A 84 TRP HE3 1.0 0.0 6.0 1729 1545 A 68 GLN HBy A 84 TRP HE3 1.0 0.0 6.0 1730 1546 A 68 GLN HGx A 84 TRP HE3 1.0 1.9 4.9 1731 1547 A 68 GLN HBx A 84 TRP HE3 1.0 2.0 4.8 1732 1548 A 40 LEU HDy% A 84 TRP HE3 1.0 1.9 5.1 1733 1549 A 84 TRP HBy A 84 TRP HZ3 1.0 0.0 6.0 1734 1550 A 84 TRP HZ2 A 65 SER HB2 1.0 1.9 4.9 1735 1551 A 84 TRP HZ2 A 68 GLN HBx 1.0 0.0 6.0 1736 1552 A 84 TRP HZ2 A 84 TRP HH2 1.0 1.6 2.8 1737 1553 A 84 TRP HH2 A 68 GLN HBx 1.0 0.0 6.0 1738 1554 A 63 VAL HGx% A 84 TRP HH2 1.0 0.0 6.0 1739 1555 A 84 TRP HH2 A 68 GLN HGx 1.0 2.0 5.8 1740 1556 A 78 SER HB2 A 80 TYR HD% 1.0 0.0 6.0 1741 1557 A 80 TYR HBx A 80 TYR HD% 1.0 1.7 3.3 1742 1558 A 82 VAL HGx% A 80 TYR HD% 1.0 2.0 5.8 1743 1558 A 82 VAL HGy% A 80 TYR HD% 1.0 2.0 5.8 1744 1559 A 50 TRP HZ3 A 80 TYR HD% 1.0 2.0 6.0 1745 1560 A 79 LYS HA A 80 TYR HD% 1.0 0.0 6.0 1746 1561 A 80 TYR HE% A 80 TYR HBy 1.0 2.0 6.0 1747 1562 A 80 TYR HE% A 80 TYR HBx 1.0 2.0 6.0 1748 1563 A 79 LYS HA A 74 PHE HD% 1.0 1.9 4.5 1749 1564 A 73 THR HA A 74 PHE HD% 1.0 2.0 6.0 1750 1565 A 74 PHE HBy A 74 PHE HD% 1.0 1.7 3.1 1751 1566 A 58 GLY HAx A 74 PHE HD% 1.0 0.0 6.0 1752 1567 A 80 TYR HBx A 74 PHE HD% 1.0 1.8 6.0 1753 1568 A 72 VAL HB A 74 PHE HD% 1.0 2.0 5.4 1754 1569 A 72 VAL HGx% A 74 PHE HD% 1.0 0.0 6.0 1755 1570 A 74 PHE HD% A 74 PHE HE% 1.0 1.4 2.4 1756 1571 A 74 PHE HZ A 74 PHE HD% 1.0 2.0 4.8 1757 1572 A 80 TYR HD% A 80 TYR HBy 1.0 1.8 3.6 1758 1573 A 80 TYR HBx A 74 PHE HE% 1.0 2.0 6.0 1759 1574 A 80 TYR HBx A 80 TYR HBy 1.0 1.5 2.5 1760 1575 A 74 PHE HA A 58 GLY HAy 1.0 1.8 3.6 1761 1576 A 58 GLY HAx A 74 PHE HA 1.0 1.9 4.5 1762 1577 A 58 GLY HAx A 58 GLY HAy 1.0 1.5 2.5 1763 1578 A 58 GLY HAx A 72 VAL HGx% 1.0 1.7 3.3 1764 1579 A 58 GLY HAy A 74 PHE HD% 1.0 2.0 5.6 1765 1580 A 58 GLY HAx A 74 PHE HE% 1.0 0.0 6.0 1766 1581 A 58 GLY HAy A 74 PHE HE% 1.0 2.0 6.0 1767 1582 A 79 LYS HA A 74 PHE HE% 1.0 2.0 5.8 1768 1583 A 79 LYS HA A 73 THR HA 1.0 1.5 2.5 1769 1584 A 79 LYS HA A 79 LYS HDy 1.0 2.0 6.0 1770 1585 A 79 LYS HA A 79 LYS HB2 1.0 1.7 3.3 1771 1586 A 79 LYS HA A 79 LYS HGx 1.0 1.7 3.5 1772 1587 A 71 LEU HG A 79 LYS HA 1.0 2.0 6.0 1773 1588 A 71 LEU HDy% A 79 LYS HA 1.0 0.0 6.0 1774 1589 A 71 LEU HDx% A 79 LYS HA 1.0 1.9 5.3 1775 1590 A 74 PHE HA A 74 PHE HE% 1.0 0.0 6.0 1776 1591 A 72 VAL HB A 74 PHE HE% 1.0 1.9 4.3 1777 1592 A 82 VAL HGx% A 74 PHE HE% 1.0 0.0 6.0 1778 1592 A 82 VAL HGy% A 74 PHE HE% 1.0 0.0 6.0 1779 1593 A 72 VAL HGy% A 74 PHE HE% 1.0 0.0 6.0 1780 1594 A 74 PHE HE% A 80 TYR HD% 1.0 0.0 6.0 1781 1595 A 56 TYR HD% A 74 PHE HE% 1.0 0.0 6.0 1782 1596 A 48 CYS HA A 74 PHE HZ 1.0 1.9 6.0 1783 1597 A 48 CYS HBy A 74 PHE HZ 1.0 1.9 4.3 1784 1598 A 72 VAL HB A 74 PHE HZ 1.0 2.0 4.8 1785 1599 A 82 VAL HGx% A 74 PHE HZ 1.0 0.0 6.0 1786 1599 A 82 VAL HGy% A 74 PHE HZ 1.0 0.0 6.0 1787 1600 A 72 VAL HGy% A 74 PHE HZ 1.0 0.0 6.0 1788 1601 A 52 ASP HBy A 50 TRP HD1 1.0 1.9 6.0 1789 1602 A 52 ASP HBx A 50 TRP HD1 1.0 2.0 5.8 1790 1603 A 50 TRP HA A 50 TRP HE3 1.0 1.8 3.4 1791 1604 A 50 TRP HBx A 50 TRP HE3 1.0 1.9 4.3 1792 1605 A 50 TRP HZ3 A 50 TRP HA 1.0 1.9 6.0 1793 1606 A 82 VAL HGx% A 50 TRP HZ3 1.0 2.0 5.0 1794 1606 A 82 VAL HGy% A 50 TRP HZ3 1.0 2.0 5.0 1795 1607 A 50 TRP HBy A 50 TRP HA 1.0 2.0 5.2 1796 1608 A 50 TRP HBx A 50 TRP HBy 1.0 1.6 3.0 1797 1609 A 50 TRP HD1 A 50 TRP HBy 1.0 2.0 4.6 1798 1610 A 50 TRP HBy A 50 TRP HE3 1.0 2.0 6.0 1799 1611 A 50 TRP HBx A 50 TRP HA 1.0 1.8 4.0 1800 1612 B 35 VAL HG2% B 35 VAL HB 1.0 1.5 2.5 1801 1613 B 37 LYS HE3 B 37 LYS HD3 1.0 1.7 2.9 1802 1614 B 41 TYR HBy B 41 TYR HBx 1.0 1.3 2.2 1803 1615 B 38 PRO HGy B 38 PRO HDx 1.0 1.6 2.8 1804 1616 B 38 PRO HDx B 37 LYS HBy 1.0 2.0 4.6 1805 1617 B 38 PRO HBy B 38 PRO HDx 1.0 1.9 4.9 1806 1618 B 38 PRO HBy B 38 PRO HDy 1.0 1.9 4.7 1807 1619 B 38 PRO HDy B 37 LYS HBy 1.0 1.8 3.6 1808 1620 B 38 PRO HGy B 38 PRO HDy 1.0 1.8 3.6 1809 1621 B 40 ARG HG2 B 40 ARG HA 1.0 1.9 4.9 1810 1622 B 38 PRO HGy B 37 LYS HA 1.0 2.0 6.0 1811 1623 B 37 LYS HBy B 37 LYS HA 1.0 1.7 3.3 1812 1624 B 37 LYS HGx B 37 LYS HA 1.0 1.9 4.5 1813 1624 B 37 LYS HGy B 37 LYS HA 1.0 1.9 4.5 1814 1625 B 41 TYR HBx B 41 TYR H 1.0 1.9 4.5 1815 1626 B 39 HIS HBy B 39 HIS H 1.0 1.9 4.9 1816 1627 B 39 HIS HBy B 39 HIS HD2 1.0 2.0 5.0 1817 1628 B 39 HIS HBx B 39 HIS HD2 1.0 2.0 5.0 1818 1629 B 35 VAL HB B 35 VAL H 1.0 1.9 4.7 1819 1630 B 35 VAL HG2% B 35 VAL H 1.0 1.9 4.1 1820 1631 B 34 GLY HAy B 35 VAL H 1.0 2.0 4.8 1821 1632 B 34 GLY HAx B 35 VAL H 1.0 1.9 4.1 1822 1633 B 40 ARG HA B 41 TYR H 1.0 1.6 2.8 1823 1634 B 41 TYR HA B 41 TYR H 1.0 1.8 4.0 1824 1635 B 38 PRO HA B 39 HIS H 1.0 1.8 3.8 1825 1636 B 39 HIS HBx B 39 HIS H 1.0 2.0 4.6 1826 1637 B 41 TYR HBy B 41 TYR H 1.0 1.8 3.8 1827 1638 B 41 TYR HD% B 41 TYR HBx 1.0 1.8 3.6 1828 1639 B 37 LYS HBy B 37 LYS H 1.0 2.0 5.0 1829 1640 B 37 LYS HGy B 37 LYS H 1.0 2.0 5.4 1830 1640 B 37 LYS HGx B 37 LYS H 1.0 2.0 5.4 1831 1641 B 40 ARG HBx B 41 TYR H 1.0 2.0 6.0 1832 1642 B 40 ARG HBy B 41 TYR H 1.0 2.0 5.2 1833 1643 B 40 ARG HG2 B 41 TYR H 1.0 2.0 6.0 1834 1643 B 40 ARG HG3 B 41 TYR H 1.0 2.0 6.0 1835 1644 B 40 ARG HD2 B 39 HIS HBx 1.0 0.0 6.0 1836 1645 B 39 HIS HA B 40 ARG H 1.0 1.9 4.5 1837 1646 B 41 TYR HD% B 41 TYR H 1.0 2.0 5.8 1838 1647 B 39 HIS HA B 39 HIS H 1.0 1.9 5.1 1839 1648 A 47 LEU HDx% B 39 HIS HE1 1.0 1.8 5.0 1840 1649 A 47 LEU HDy% B 39 HIS HE1 1.0 1.8 3.6 1841 1650 A 47 LEU HDy% B 39 HIS HD2 1.0 1.8 3.6 1842 1651 A 47 LEU HDx% B 39 HIS HD2 1.0 1.8 3.6 1843 1652 A 47 LEU HDx% B 41 TYR HD% 1.0 1.8 3.6 1844 1653 A 47 LEU HDx% B 41 TYR HE% 1.0 1.8 3.6 1845 1654 A 40 LEU HDx% A 40 LEU HBy 1.0 1.8 3.6 1846 1654 A 47 LEU HBx A 47 LEU HDy% 1.0 1.8 3.6 1847 1655 A 40 LEU HDx% A 60 ILE HB 1.0 2.0 6.0 1848 1655 A 46 VAL HGx% A 60 ILE HB 1.0 2.0 6.0 1849 1656 A 59 LYS HGy A 61 LYS HBy 1.0 1.8 3.8 1850 1656 A 61 LYS HBx A 71 LEU HG 1.0 1.8 3.8 1851 1656 A 61 LYS HBy A 71 LEU HG 1.0 1.8 3.8 1852 1657 A 59 LYS HGy A 61 LYS HG2 1.0 1.9 4.7 1853 1657 A 61 LYS HG2 A 71 LEU HG 1.0 1.9 4.7 1854 1657 A 61 LYS HG2 A 71 LEU HBx 1.0 1.9 4.7 1855 1658 A 60 ILE HD1% A 70 CYS HA 1.0 0.0 6.0 1856 1658 A 63 VAL HGx% A 70 CYS HA 1.0 0.0 6.0 1857 1659 A 72 VAL HGy% A 87 ILE HG1y 1.0 0.0 6.0 1858 1659 A 72 VAL HGy% A 82 VAL HB 1.0 0.0 6.0 1859 1660 A 79 LYS HE2 A 73 THR HB 1.0 2.0 6.0 1860 1660 A 61 LYS HE2 A 73 THR HB 1.0 2.0 6.0 1861 1661 A 79 LYS HE2 A 73 THR HG2% 1.0 0.0 6.0 1862 1661 A 61 LYS HE2 A 73 THR HG2% 1.0 0.0 6.0 1863 1662 A 59 LYS HDy A 73 THR HB 1.0 1.9 4.9 1864 1662 A 59 LYS HBy A 73 THR HB 1.0 1.9 4.9 1865 1662 A 73 THR HB A 79 LYS HGx 1.0 1.9 4.9 1866 1663 A 63 VAL HGx% A 42 GLU HA 1.0 2.0 4.8 1867 1663 A 60 ILE HD1% A 42 GLU HA 1.0 2.0 4.8 1868 1664 A 61 LYS HA A 42 GLU HA 1.0 2.0 5.6 1869 1664 A 41 THR HA A 42 GLU HA 1.0 2.0 5.6 1870 1665 A 60 ILE HD1% A 40 LEU HA 1.0 1.7 3.3 1871 1665 A 40 LEU HA A 40 LEU HBx 1.0 1.7 3.3 1872 1666 A 82 VAL HGy% A 86 ASP HBy 1.0 2.0 5.8 1873 1666 A 49 ARG HBx A 86 ASP HBy 1.0 2.0 5.8 1874 1667 A 56 TYR HBx A 56 TYR HA 1.0 1.8 4.0 1875 1667 A 81 TRP HA A 81 TRP HBy 1.0 1.8 4.0 1876 1668 A 81 TRP HA A 81 TRP HBx 1.0 1.9 4.5 1877 1668 A 56 TYR HBy A 56 TYR HA 1.0 1.9 4.5 1878 1669 A 71 LEU HDy% A 79 LYS HGx 1.0 1.9 4.1 1879 1669 A 71 LEU HDy% A 61 LYS HG2 1.0 1.9 4.1 1880 1669 A 71 LEU HDy% A 79 LYS HB2 1.0 1.9 4.1 1881 1670 A 78 SER HA A 79 LYS HB2 1.0 2.0 5.8 1882 1670 A 73 THR HA A 79 LYS HB2 1.0 2.0 5.8 1883 1671 A 78 SER HB2 A 79 LYS HB2 1.0 1.9 6.0 1884 1671 A 73 THR HB A 79 LYS HB2 1.0 1.9 6.0 1885 1671 A 59 LYS HBy A 73 THR HB 1.0 1.9 6.0 1886 1672 A 82 VAL HGy% A 80 TYR HBy 1.0 1.9 4.5 1887 1672 A 48 CYS HBy A 82 VAL HGy% 1.0 1.9 4.5 1888 1673 A 46 VAL HGx% A 87 ILE HB 1.0 2.0 5.6 1889 1673 A 40 LEU HDx% A 87 ILE HB 1.0 2.0 5.6 1890 1674 A 87 ILE HG2% A 40 LEU HDx% 1.0 0.0 6.0 1891 1674 A 87 ILE HG2% A 46 VAL HGx% 1.0 0.0 6.0 1892 1675 A 46 VAL HB A 60 ILE HD1% 1.0 1.9 4.7 1893 1675 A 44 GLN HBy A 60 ILE HD1% 1.0 1.9 4.7 1894 1676 A 93 PRO HA A 93 PRO HDy 1.0 1.7 3.5 1895 1676 A 93 PRO HDy A 92 VAL HA 1.0 1.7 3.5 1896 1677 A 66 SER HB2 A 67 LYS HBy 1.0 2.0 5.4 1897 1677 A 69 SER HBy A 67 LYS HBy 1.0 2.0 5.4 1898 1678 A 66 SER HB2 A 67 LYS HBx 1.0 2.0 5.0 1899 1678 A 69 SER HBy A 67 LYS HBx 1.0 2.0 5.0 1900 1679 A 81 TRP HZ3 A 69 SER HBy 1.0 2.0 4.6 1901 1679 A 64 SER HBy A 81 TRP HZ3 1.0 2.0 4.6 1902 1680 A 50 TRP HBx A 54 LEU H 1.0 2.0 6.0 1903 1680 A 52 ASP HBy A 54 LEU H 1.0 2.0 6.0 1904 1681 A 39 LYS HGy A 40 LEU H 1.0 1.7 3.1 1905 1681 A 40 LEU HG A 40 LEU H 1.0 1.7 3.1 1906 1681 A 40 LEU HBy A 40 LEU H 1.0 1.7 3.1 1907 1682 A 41 THR HA A 41 THR H 1.0 1.5 2.7 1908 1682 A 40 LEU HA A 41 THR H 1.0 1.5 2.7 1909 1683 A 40 LEU HG A 41 THR H 1.0 1.9 4.9 1910 1683 A 41 THR HG2% A 41 THR H 1.0 1.9 4.9 1911 1684 A 40 LEU HG A 44 GLN HE21 1.0 2.0 6.0 1912 1684 A 41 THR HG2% A 44 GLN HE21 1.0 2.0 6.0 1913 1685 A 40 LEU HG A 44 GLN HE22 1.0 1.9 5.1 1914 1685 A 41 THR HG2% A 44 GLN HE22 1.0 1.9 5.1 1915 1686 A 40 LEU HBx A 42 GLU H 1.0 0.0 6.0 1916 1686 A 60 ILE HD1% A 42 GLU H 1.0 0.0 6.0 1917 1687 A 44 GLN HBx A 43 GLY H 1.0 1.8 3.8 1918 1687 A 60 ILE HB A 43 GLY H 1.0 1.8 3.8 1919 1688 A 43 GLY HAy A 44 GLN H 1.0 1.7 3.1 1920 1688 A 44 GLN HA A 44 GLN H 1.0 1.7 3.1 1921 1689 A 60 ILE HG1y A 44 GLN H 1.0 1.9 4.5 1922 1689 A 68 GLN HGx A 68 GLN H 1.0 1.9 4.5 1923 1689 A 68 GLN H A 68 GLN HBy 1.0 1.9 4.5 1924 1690 A 44 GLN H A 60 ILE H 1.0 1.9 4.3 1925 1690 A 44 GLN H A 45 TYR H 1.0 1.9 4.3 1926 1691 A 46 VAL HA A 45 TYR H 1.0 2.0 6.0 1927 1691 A 59 LYS HA A 45 TYR H 1.0 2.0 6.0 1928 1692 A 60 ILE HD1% A 45 TYR H 1.0 2.0 6.0 1929 1692 A 46 VAL HGy% A 45 TYR H 1.0 2.0 6.0 1930 1693 A 57 LEU HA A 46 VAL H 1.0 2.0 5.6 1931 1693 A 47 LEU HA A 46 VAL H 1.0 2.0 5.6 1932 1694 A 46 VAL HGy% A 46 VAL H 1.0 1.9 3.7 1933 1694 A 60 ILE HG1x A 46 VAL H 1.0 1.9 3.7 1934 1695 A 57 LEU HG A 46 VAL H 1.0 1.9 6.0 1935 1695 A 47 LEU HBy A 46 VAL H 1.0 1.9 6.0 1936 1695 A 72 VAL HB A 46 VAL H 1.0 1.9 6.0 1937 1696 A 74 PHE HZ A 48 CYS H 1.0 2.0 6.0 1938 1696 A 55 TYR HD% A 48 CYS H 1.0 2.0 6.0 1939 1697 A 88 GLN HBx A 48 CYS H 1.0 2.0 5.8 1940 1697 A 57 LEU HBy A 48 CYS H 1.0 2.0 5.8 1941 1698 A 57 LEU HDy% A 48 CYS H 1.0 2.0 6.0 1942 1698 A 87 ILE HG2% A 48 CYS H 1.0 2.0 6.0 1943 1698 A 87 ILE HD1% A 48 CYS H 1.0 2.0 6.0 1944 1698 A 57 LEU HDx% A 48 CYS H 1.0 2.0 6.0 1945 1699 A 49 ARG H A 50 TRP H 1.0 2.0 6.0 1946 1699 A 49 ARG H A 88 GLN H 1.0 2.0 6.0 1947 1700 A 74 PHE HZ A 49 ARG H 1.0 2.0 5.4 1948 1700 A 55 TYR HD% A 49 ARG H 1.0 2.0 5.4 1949 1701 A 86 ASP HBy A 49 ARG H 1.0 1.9 4.9 1950 1701 A 48 CYS HBy A 49 ARG H 1.0 1.9 4.9 1951 1702 A 48 CYS HBx A 49 ARG H 1.0 1.9 4.5 1952 1702 A 86 ASP HBx A 49 ARG H 1.0 1.9 4.5 1953 1703 A 54 LEU HA A 53 GLY H 1.0 2.0 4.6 1954 1703 A 52 ASP HA A 53 GLY H 1.0 2.0 4.6 1955 1704 A 54 LEU HG A 53 GLY H 1.0 2.0 6.0 1956 1704 A 49 ARG HGy A 53 GLY H 1.0 2.0 6.0 1957 1705 A 54 LEU HDx% A 53 GLY H 1.0 2.0 5.8 1958 1705 A 54 LEU HDy% A 53 GLY H 1.0 2.0 5.8 1959 1705 A 49 ARG HGx A 53 GLY H 1.0 2.0 5.8 1960 1706 A 56 TYR HBy A 56 TYR H 1.0 1.9 4.3 1961 1706 A 56 TYR HBx A 56 TYR H 1.0 1.9 4.3 1962 1706 A 55 TYR HBy A 56 TYR H 1.0 1.9 4.3 1963 1707 A 58 GLY HAy A 59 LYS H 1.0 1.6 3.0 1964 1707 A 59 LYS HA A 59 LYS H 1.0 1.6 3.0 1965 1708 A 72 VAL HGy% A 59 LYS H 1.0 2.0 6.0 1966 1708 A 59 LYS HGy A 59 LYS H 1.0 2.0 6.0 1967 1709 A 45 TYR HD% A 59 LYS H 1.0 1.9 6.0 1968 1709 A 74 PHE HE% A 59 LYS H 1.0 1.9 6.0 1969 1710 A 60 ILE H A 73 THR H 1.0 2.0 6.0 1970 1710 A 59 LYS H A 60 ILE H 1.0 2.0 6.0 1971 1711 A 72 VAL HA A 60 ILE H 1.0 2.0 6.0 1972 1711 A 43 GLY HAy A 60 ILE H 1.0 2.0 6.0 1973 1712 A 59 LYS HGy A 60 ILE H 1.0 1.6 2.8 1974 1712 A 60 ILE HG1x A 60 ILE H 1.0 1.6 2.8 1975 1712 A 60 ILE HG2% A 60 ILE H 1.0 1.6 2.8 1976 1713 A 61 LYS H A 72 VAL H 1.0 1.9 6.0 1977 1713 A 60 ILE H A 61 LYS H 1.0 1.9 6.0 1978 1714 A 72 VAL HA A 61 LYS H 1.0 1.8 3.4 1979 1714 A 61 LYS HA A 61 LYS H 1.0 1.8 3.4 1980 1715 A 71 LEU HG A 61 LYS H 1.0 1.8 3.8 1981 1715 A 60 ILE HG2% A 61 LYS H 1.0 1.8 3.8 1982 1716 A 60 ILE HG2% A 62 ARG H 1.0 1.7 3.3 1983 1716 A 71 LEU HG A 62 ARG H 1.0 1.7 3.3 1984 1717 A 81 TRP HZ2 A 64 SER H 1.0 1.9 5.3 1985 1717 A 64 SER H A 69 SER H 1.0 1.9 5.3 1986 1718 A 65 SER HB2 A 69 SER H 1.0 2.0 6.0 1987 1718 A 66 SER HA A 69 SER H 1.0 2.0 6.0 1988 1719 A 69 SER HBy A 69 SER H 1.0 1.8 4.0 1989 1719 A 68 GLN HA A 69 SER H 1.0 1.8 4.0 1990 1720 A 69 SER HA A 70 CYS H 1.0 1.8 3.4 1991 1720 A 70 CYS HA A 70 CYS H 1.0 1.8 3.4 1992 1721 A 62 ARG H A 71 LEU H 1.0 1.8 4.0 1993 1721 A 81 TRP HZ2 A 71 LEU H 1.0 1.8 4.0 1994 1722 A 72 VAL HGy% A 72 VAL H 1.0 1.8 3.6 1995 1722 A 71 LEU HG A 72 VAL H 1.0 1.8 3.6 1996 1723 A 71 LEU H A 72 VAL H 1.0 1.9 4.3 1997 1723 A 72 VAL H A 80 TYR H 1.0 1.9 4.3 1998 1724 A 59 LYS HA A 73 THR H 1.0 2.0 6.0 1999 1724 A 58 GLY HAy A 73 THR H 1.0 2.0 6.0 2000 1725 A 59 LYS HBy A 73 THR H 1.0 1.9 5.3 2001 1725 A 79 LYS HGx A 73 THR H 1.0 1.9 5.3 2002 1725 A 73 THR HG2% A 73 THR H 1.0 1.9 5.3 2003 1726 A 72 VAL HGy% A 73 THR H 1.0 2.0 5.8 2004 1726 A 59 LYS HGy A 73 THR H 1.0 2.0 5.8 2005 1727 A 73 THR H A 74 PHE H 1.0 2.0 5.8 2006 1727 A 74 PHE H A 80 TYR H 1.0 2.0 5.8 2007 1728 A 72 VAL HA A 74 PHE H 1.0 1.9 5.5 2008 1728 A 77 ASN HA A 74 PHE H 1.0 1.9 5.5 2009 1729 A 74 PHE HBx A 76 ASP H 1.0 1.8 3.8 2010 1729 A 76 ASP H A 76 ASP HBy 1.0 1.8 3.8 2011 1730 A 76 ASP H A 77 ASN H 1.0 1.6 2.8 2012 1730 A 77 ASN H A 78 SER H 1.0 1.6 2.8 2013 1731 A 77 ASN H A 76 ASP HBy 1.0 1.9 3.9 2014 1731 A 77 ASN HB2 A 77 ASN H 1.0 1.9 3.9 2015 1732 A 77 ASN HB2 A 78 SER H 1.0 1.9 5.1 2016 1732 A 78 SER H A 76 ASP HBy 1.0 1.9 5.1 2017 1732 A 74 PHE HBx A 78 SER H 1.0 1.9 5.1 2018 1733 A 73 THR HA A 80 TYR H 1.0 1.9 5.1 2019 1733 A 81 TRP HA A 80 TYR H 1.0 1.9 5.1 2020 1734 A 72 VAL HGy% A 80 TYR H 1.0 2.0 5.4 2021 1734 A 71 LEU HG A 80 TYR H 1.0 2.0 5.4 2022 1735 A 83 LEU HA A 84 TRP H 1.0 1.9 4.7 2023 1735 A 84 TRP HA A 84 TRP H 1.0 1.9 4.7 2024 1736 A 89 HIS HD2 A 88 GLN H 1.0 2.0 5.2 2025 1736 A 55 TYR HD% A 88 GLN H 1.0 2.0 5.2 2026 1737 A 87 ILE HB A 88 GLN H 1.0 1.8 3.6 2027 1737 A 88 GLN HBx A 88 GLN H 1.0 1.8 3.6 2028 1738 A 47 LEU HDy% A 88 GLN H 1.0 2.0 6.0 2029 1738 A 47 LEU HDx% A 88 GLN H 1.0 2.0 6.0 2030 1738 A 46 VAL HGx% A 88 GLN H 1.0 2.0 6.0 2031 1739 A 87 ILE HG1y A 88 GLN H 1.0 1.9 4.1 2032 1739 A 88 GLN HBy A 88 GLN H 1.0 1.9 4.1 2033 1740 A 92 VAL HA A 94 GLY H 1.0 1.8 3.8 2034 1740 A 93 PRO HA A 94 GLY H 1.0 1.8 3.8 2035 1741 A 39 LYS HA A 39 LYS H 1.0 1.8 4.2 2036 1741 A 38 SER HA A 39 LYS H 1.0 1.8 4.2 2037 1742 A 71 LEU HA A 82 VAL H 1.0 2.0 5.0 2038 1742 A 69 SER HBy A 82 VAL H 1.0 2.0 5.0 2039 1743 A 73 THR HB A 73 THR HA 1.0 1.8 3.4 2040 1743 A 78 SER HB2 A 78 SER HA 1.0 1.8 3.4 2041 1744 A 57 LEU HDy% A 57 LEU HBx 1.0 1.6 2.6 2042 1744 A 54 LEU HG A 54 LEU HDy% 1.0 1.6 2.6 2043 1745 A 87 ILE HB A 87 ILE HA 1.0 1.8 3.6 2044 1745 A 57 LEU HBy A 57 LEU HA 1.0 1.8 3.6 2045 1746 A 46 VAL HGx% A 89 HIS HD2 1.0 2.0 5.2 2046 1746 A 40 LEU HDx% A 89 HIS HD2 1.0 2.0 5.2 2047 1747 A 87 ILE HG2% A 89 HIS HE2 1.0 2.0 5.8 2048 1747 A 46 VAL HGy% A 89 HIS HE2 1.0 2.0 5.8 2049 1748 A 87 ILE HG2% A 89 HIS HD2 1.0 1.9 4.5 2050 1748 A 46 VAL HGy% A 89 HIS HD2 1.0 1.9 4.5 2051 1749 A 60 ILE HD1% A 70 CYS HBx 1.0 1.8 4.0 2052 1749 A 70 CYS HBx A 87 ILE HD1% 1.0 1.8 4.0 2053 1750 A 60 ILE HD1% A 70 CYS HBy 1.0 1.8 3.8 2054 1750 A 70 CYS HBy A 87 ILE HD1% 1.0 1.8 3.8 2055 1751 B 40 ARG HD2 B 40 ARG HG2 1.0 1.7 3.3 2056 1751 A 49 ARG HGy A 49 ARG HDy 1.0 1.7 3.3 2057 1752 A 71 LEU HA A 81 TRP HZ3 1.0 1.9 3.9 2058 1752 A 64 SER HBy A 81 TRP HZ3 1.0 1.9 3.9 2059 1753 A 50 TRP HBx A 56 TYR HD% 1.0 0.0 6.0 2060 1753 A 56 TYR HD% A 56 TYR HBy 1.0 0.0 6.0 2061 1754 A 84 TRP HD1 A 83 LEU HBy 1.0 2.0 6.0 2062 1754 A 87 ILE HB A 84 TRP HD1 1.0 2.0 6.0 2063 1755 A 79 LYS HA A 71 LEU HA 1.0 2.0 5.4 2064 1755 A 73 THR HB A 79 LYS HA 1.0 2.0 5.4 2065 1755 A 78 SER HB2 A 79 LYS HA 1.0 2.0 5.4 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type . save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 46 VAL H A 58 GLY O 1.0 1.8 2.3 2 2 A 58 GLY O A 46 VAL N 1.0 2.8 3.3 3 3 A 47 LEU H A 88 GLN O 1.0 1.8 2.3 4 4 A 88 GLN O A 47 LEU N 1.0 2.8 3.3 5 5 A 48 CYS H A 56 TYR O 1.0 1.8 2.3 6 6 A 56 TYR O A 48 CYS N 1.0 2.8 3.3 7 7 A 50 TRP H A 54 LEU O 1.0 1.8 2.3 8 8 A 54 LEU O A 50 TRP N 1.0 2.8 3.3 9 9 A 56 TYR H A 48 CYS O 1.0 1.8 2.3 10 10 A 48 CYS O A 56 TYR N 1.0 2.8 3.3 11 11 A 58 GLY H A 46 VAL O 1.0 1.8 2.3 12 12 A 46 VAL O A 58 GLY N 1.0 2.8 3.3 13 13 A 59 LYS H A 73 THR O 1.0 1.8 2.3 14 14 A 73 THR O A 59 LYS N 1.0 2.8 3.3 15 15 A 60 ILE H A 44 GLN O 1.0 1.8 2.3 16 16 A 44 GLN O A 60 ILE N 1.0 2.8 3.3 17 17 A 61 LYS H A 71 LEU O 1.0 1.8 2.3 18 18 A 71 LEU O A 61 LYS N 1.0 2.8 3.3 19 19 A 71 LEU O A 62 ARG H 1.0 1.8 2.3 20 20 A 71 LEU O A 62 ARG N 1.0 2.8 3.3 21 21 A 70 CYS H A 82 VAL O 1.0 1.8 2.3 22 22 A 82 VAL O A 70 CYS N 1.0 2.8 3.3 23 23 A 71 LEU H A 62 ARG O 1.0 1.8 2.3 24 24 A 62 ARG O A 71 LEU N 1.0 2.8 3.3 25 25 A 72 VAL H A 80 TYR O 1.0 1.8 2.3 26 26 A 80 TYR O A 72 VAL N 1.0 2.8 3.3 27 27 A 73 THR H A 59 LYS O 1.0 1.8 2.3 28 28 A 59 LYS O A 73 THR N 1.0 2.8 3.3 29 29 A 74 PHE H A 78 SER O 1.0 1.8 2.3 30 30 A 78 SER O A 74 PHE N 1.0 2.8 3.3 31 31 A 80 TYR H A 72 VAL O 1.0 1.8 2.3 32 32 A 72 VAL O A 80 TYR N 1.0 2.8 3.3 33 33 A 82 VAL H A 70 CYS O 1.0 1.8 2.3 34 34 A 70 CYS O A 82 VAL N 1.0 2.8 3.3 35 35 A 84 TRP H A 68 GLN O 1.0 1.8 2.3 36 36 A 68 GLN O A 84 TRP N 1.0 2.8 3.3 37 37 A 86 ASP H A 83 LEU O 1.0 1.8 2.3 38 38 A 83 LEU O A 86 ASP N 1.0 2.8 3.3 39 39 A 87 ILE H A 84 TRP O 1.0 1.8 2.3 40 40 A 84 TRP O A 87 ILE N 1.0 2.8 3.3 stop_ save_ save_CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 39 LYS C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -122.0 -80.0 PHI 2 2 A 40 LEU C A 41 THR N A 41 THR CA A 41 THR C 1.0 -170.0 -98.0 PHI 3 3 A 41 THR C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -72.5 -45.5 PHI 4 4 A 42 GLU C A 43 GLY N A 43 GLY CA A 43 GLY C 1.0 68.0 110.0 PHI 5 5 A 43 GLY C A 44 GLN N A 44 GLN CA A 44 GLN C 1.0 -122.5 -53.5 PHI 6 6 A 44 GLN C A 45 TYR N A 45 TYR CA A 45 TYR C 1.0 -106.5 -79.5 PHI 7 7 A 45 TYR C A 46 VAL N A 46 VAL CA A 46 VAL C 1.0 -155.0 -125.0 PHI 8 8 A 46 VAL C A 47 LEU N A 47 LEU CA A 47 LEU C 1.0 -139.0 -79.0 PHI 9 9 A 47 LEU C A 48 CYS N A 48 CYS CA A 48 CYS C 1.0 -147.0 -87.0 PHI 10 10 A 48 CYS C A 49 ARG N A 49 ARG CA A 49 ARG C 1.0 -125.0 -59.0 PHI 11 11 A 49 ARG C A 50 TRP N A 50 TRP CA A 50 TRP C 1.0 -141.5 -66.5 PHI 12 12 A 50 TRP C A 51 THR N A 51 THR CA A 51 THR C 1.0 -75.5 -48.5 PHI 13 13 A 51 THR C A 52 ASP N A 52 ASP CA A 52 ASP C 1.0 -133.5 -76.5 PHI 14 14 A 52 ASP C A 53 GLY N A 53 GLY CA A 53 GLY C 1.0 70.0 100.0 PHI 15 15 A 53 GLY C A 54 LEU N A 54 LEU CA A 54 LEU C 1.0 -148.0 -76.0 PHI 16 16 A 54 LEU C A 55 TYR N A 55 TYR CA A 55 TYR C 1.0 -161.0 -107.0 PHI 17 17 A 55 TYR C A 56 TYR N A 56 TYR CA A 56 TYR C 1.0 -154.0 -118.0 PHI 18 18 A 56 TYR C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -122.0 -62.0 PHI 19 19 A 57 LEU C A 58 GLY N A 58 GLY CA A 58 GLY C 1.0 -160.0 -82.0 PHI 20 20 A 58 GLY C A 59 LYS N A 59 LYS CA A 59 LYS C 1.0 -147.5 -96.5 PHI 21 21 A 59 LYS C A 60 ILE N A 60 ILE CA A 60 ILE C 1.0 -105.5 -60.5 PHI 22 22 A 60 ILE C A 61 LYS N A 61 LYS CA A 61 LYS C 1.0 -101.0 -77.0 PHI 23 23 A 61 LYS C A 62 ARG N A 62 ARG CA A 62 ARG C 1.0 -173.5 -116.5 PHI 24 24 A 62 ARG C A 63 VAL N A 63 VAL CA A 63 VAL C 1.0 -141.5 -90.5 PHI 25 25 A 63 VAL C A 64 SER N A 64 SER CA A 64 SER C 1.0 -157.5 -94.5 PHI 26 26 A 65 SER C A 66 SER N A 66 SER CA A 66 SER C 1.0 -73.0 -55.0 PHI 27 27 A 66 SER C A 67 LYS N A 67 LYS CA A 67 LYS C 1.0 -115.0 -67.0 PHI 28 28 A 68 GLN C A 69 SER N A 69 SER CA A 69 SER C 1.0 -163.5 -106.5 PHI 29 29 A 69 SER C A 70 CYS N A 70 CYS CA A 70 CYS C 1.0 -156.5 -105.5 PHI 30 30 A 70 CYS C A 71 LEU N A 71 LEU CA A 71 LEU C 1.0 -128.0 -80.0 PHI 31 31 A 71 LEU C A 72 VAL N A 72 VAL CA A 72 VAL C 1.0 -137.0 -95.0 PHI 32 32 A 72 VAL C A 73 THR N A 73 THR CA A 73 THR C 1.0 -131.5 -92.5 PHI 33 33 A 73 THR C A 74 PHE N A 74 PHE CA A 74 PHE C 1.0 -120.0 -54.0 PHI 34 34 A 74 PHE C A 75 GLU N A 75 GLU CA A 75 GLU C 1.0 -69.5 -48.5 PHI 35 35 A 75 GLU C A 76 ASP N A 76 ASP CA A 76 ASP C 1.0 -114.0 -78.0 PHI 36 36 A 78 SER C A 79 LYS N A 79 LYS CA A 79 LYS C 1.0 -167.5 -86.5 PHI 37 37 A 79 LYS C A 80 TYR N A 80 TYR CA A 80 TYR C 1.0 -153.0 -111.0 PHI 38 38 A 80 TYR C A 81 TRP N A 81 TRP CA A 81 TRP C 1.0 -104.5 -77.5 PHI 39 39 A 81 TRP C A 82 VAL N A 82 VAL CA A 82 VAL C 1.0 -140.5 -89.5 PHI 40 40 A 82 VAL C A 83 LEU N A 83 LEU CA A 83 LEU C 1.0 -106.0 -58.0 PHI 41 41 A 83 LEU C A 84 TRP N A 84 TRP CA A 84 TRP C 1.0 -77.0 -53.0 PHI 42 42 A 84 TRP C A 85 LYS N A 85 LYS CA A 85 LYS C 1.0 -92.0 -56.0 PHI 43 43 A 85 LYS C A 86 ASP N A 86 ASP CA A 86 ASP C 1.0 -128.5 -71.5 PHI 44 44 A 86 ASP C A 87 ILE N A 87 ILE CA A 87 ILE C 1.0 -132.0 -78.0 PHI 45 45 A 87 ILE C A 88 GLN N A 88 GLN CA A 88 GLN C 1.0 -155.5 -80.5 PHI 46 46 A 88 GLN C A 89 HIS N A 89 HIS CA A 89 HIS C 1.0 -114.5 -57.5 PHI 47 47 A 89 HIS C A 90 ALA N A 90 ALA CA A 90 ALA C 1.0 -105.5 -42.5 PHI 48 48 A 90 ALA C A 91 GLY N A 91 GLY CA A 91 GLY C 1.0 63.0 93.0 PHI 49 49 A 91 GLY C A 92 VAL N A 92 VAL CA A 92 VAL C 1.0 -159.5 -84.5 PHI 50 50 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 THR N 1.0 96.0 174.0 PSI 51 51 A 41 THR N A 41 THR CA A 41 THR C A 42 GLU N 1.0 142.0 172.0 PSI 52 52 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 GLY N 1.0 119.5 152.5 PSI 53 53 A 43 GLY N A 43 GLY CA A 43 GLY C A 44 GLN N 1.0 -26.5 18.5 PSI 54 54 A 44 GLN N A 44 GLN CA A 44 GLN C A 45 TYR N 1.0 88.0 190.0 PSI 55 55 A 45 TYR N A 45 TYR CA A 45 TYR C A 46 VAL N 1.0 123.5 150.5 PSI 56 56 A 46 VAL N A 46 VAL CA A 46 VAL C A 47 LEU N 1.0 153.0 177.0 PSI 57 57 A 47 LEU N A 47 LEU CA A 47 LEU C A 48 CYS N 1.0 112.0 160.0 PSI 58 58 A 48 CYS N A 48 CYS CA A 48 CYS C A 49 ARG N 1.0 118.5 145.5 PSI 59 59 A 49 ARG N A 49 ARG CA A 49 ARG C A 50 TRP N 1.0 104.0 140.0 PSI 60 60 A 50 TRP N A 50 TRP CA A 50 TRP C A 51 THR N 1.0 139.0 187.0 PSI 61 61 A 51 THR N A 51 THR CA A 51 THR C A 52 ASP N 1.0 -47.0 1.0 PSI 62 62 A 52 ASP N A 52 ASP CA A 52 ASP C A 53 GLY N 1.0 -15.5 17.5 PSI 63 63 A 53 GLY N A 53 GLY CA A 53 GLY C A 54 LEU N 1.0 -1.5 25.5 PSI 64 64 A 54 LEU N A 54 LEU CA A 54 LEU C A 55 TYR N 1.0 88.5 217.5 PSI 65 65 A 55 TYR N A 55 TYR CA A 55 TYR C A 56 TYR N 1.0 133.0 163.0 PSI 66 66 A 56 TYR N A 56 TYR CA A 56 TYR C A 57 LEU N 1.0 122.5 155.5 PSI 67 67 A 57 LEU N A 57 LEU CA A 57 LEU C A 58 GLY N 1.0 109.0 139.0 PSI 68 68 A 58 GLY N A 58 GLY CA A 58 GLY C A 59 LYS N 1.0 101.5 170.5 PSI 69 69 A 59 LYS N A 59 LYS CA A 59 LYS C A 60 ILE N 1.0 122.5 155.5 PSI 70 70 A 60 ILE N A 60 ILE CA A 60 ILE C A 61 LYS N 1.0 112.0 136.0 PSI 71 71 A 61 LYS N A 61 LYS CA A 61 LYS C A 62 ARG N 1.0 -56.5 -11.5 PSI 72 72 A 62 ARG N A 62 ARG CA A 62 ARG C A 63 VAL N 1.0 127.0 157.0 PSI 73 73 A 63 VAL N A 63 VAL CA A 63 VAL C A 64 SER N 1.0 108.5 141.5 PSI 74 74 A 64 SER N A 64 SER CA A 64 SER C A 65 SER N 1.0 102.5 159.5 PSI 75 75 A 66 SER N A 66 SER CA A 66 SER C A 67 LYS N 1.0 -41.5 -14.5 PSI 76 76 A 67 LYS N A 67 LYS CA A 67 LYS C A 68 GLN N 1.0 -30.0 6.0 PSI 77 77 A 69 SER N A 69 SER CA A 69 SER C A 70 CYS N 1.0 146.0 170.0 PSI 78 78 A 70 CYS N A 70 CYS CA A 70 CYS C A 71 LEU N 1.0 115.0 157.0 PSI 79 79 A 71 LEU N A 71 LEU CA A 71 LEU C A 72 VAL N 1.0 109.5 130.5 PSI 80 80 A 72 VAL N A 72 VAL CA A 72 VAL C A 73 THR N 1.0 108.0 150.0 PSI 81 81 A 73 THR N A 73 THR CA A 73 THR C A 74 PHE N 1.0 96.0 138.0 PSI 82 82 A 74 PHE N A 74 PHE CA A 74 PHE C A 75 GLU N 1.0 111.5 186.5 PSI 83 83 A 75 GLU N A 75 GLU CA A 75 GLU C A 76 ASP N 1.0 -43.5 -16.5 PSI 84 84 A 76 ASP N A 76 ASP CA A 76 ASP C A 77 ASN N 1.0 -14.5 30.5 PSI 85 85 A 79 LYS N A 79 LYS CA A 79 LYS C A 80 TYR N 1.0 132.5 171.5 PSI 86 86 A 80 TYR N A 80 TYR CA A 80 TYR C A 81 TRP N 1.0 133.5 166.5 PSI 87 87 A 81 TRP N A 81 TRP CA A 81 TRP C A 82 VAL N 1.0 109.5 136.5 PSI 88 88 A 82 VAL N A 82 VAL CA A 82 VAL C A 83 LEU N 1.0 110.5 143.5 PSI 89 89 A 83 LEU N A 83 LEU CA A 83 LEU C A 84 TRP N 1.0 101.5 188.5 PSI 90 90 A 84 TRP N A 84 TRP CA A 84 TRP C A 85 LYS N 1.0 -45.0 -21.0 PSI 91 91 A 85 LYS N A 85 LYS CA A 85 LYS C A 86 ASP N 1.0 -28.0 -4.0 PSI 92 92 A 86 ASP N A 86 ASP CA A 86 ASP C A 87 ILE N 1.0 -72.5 26.5 PSI 93 93 A 87 ILE N A 87 ILE CA A 87 ILE C A 88 GLN N 1.0 116.0 158.0 PSI 94 94 A 88 GLN N A 88 GLN CA A 88 GLN C A 89 HIS N 1.0 108.5 165.5 PSI 95 95 A 89 HIS N A 89 HIS CA A 89 HIS C A 90 ALA N 1.0 116.5 149.5 PSI 96 96 A 90 ALA N A 90 ALA CA A 90 ALA C A 91 GLY N 1.0 86.0 176.0 PSI 97 97 A 91 GLY N A 91 GLY CA A 91 GLY C A 92 VAL N 1.0 6.0 24.0 PSI 98 98 A 92 VAL N A 92 VAL CA A 92 VAL C A 93 PRO N 1.0 79.5 178.5 PSI stop_ save_