data_nef_c30068_5jhj 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 5JHJ 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 1 37 CYS SG 1 78 CYS SG 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 -11 ALA start . . 2 A -10 PRO middle . false 3 A -9 GLN middle . . 4 A -8 ASP middle . . 5 A -7 ASN middle . . 6 A -6 THR middle . . 7 A -5 SER middle . . 8 A -4 MET middle . . 9 A -3 GLY middle . false 10 A -2 SER middle . . 11 A -1 SER middle . . 12 A 0 HIS middle . . 13 A 1 HIS middle . . 14 A 2 HIS middle . . 15 A 3 HIS middle . . 16 A 4 HIS middle . . 17 A 5 HIS middle . . 18 A 6 SER middle . . 19 A 7 SER middle . . 20 A 8 GLY middle . false 21 A 9 ARG middle . . 22 A 10 GLU middle . . 23 A 11 ASN middle . . 24 A 12 LEU middle . . 25 A 13 TYR middle . . 26 A 14 PHE middle . . 27 A 15 GLN middle . . 28 A 16 GLY middle . false 29 A 17 HIS middle . . 30 A 18 MET middle . . 31 A 19 ALA middle . . 32 A 20 ALA middle . . 33 A 21 PRO middle . false 34 A 22 ALA middle . . 35 A 23 ARG middle . . 36 A 24 SER middle . . 37 A 25 CYS middle -HG . 38 A 26 VAL middle . . 39 A 27 TYR middle . . 40 A 28 TYR middle . . 41 A 29 ASP middle . . 42 A 30 GLY middle . false 43 A 31 HIS middle . . 44 A 32 LEU middle . . 45 A 33 PRO middle . false 46 A 34 ALA middle . . 47 A 35 THR middle . . 48 A 36 ARG middle . . 49 A 37 VAL middle . . 50 A 38 LEU middle . . 51 A 39 LEU middle . . 52 A 40 MET middle . . 53 A 41 TYR middle . . 54 A 42 VAL middle . . 55 A 43 ARG middle . . 56 A 44 ILE middle . . 57 A 45 GLY middle . false 58 A 46 ASN middle . . 59 A 47 THR middle . . 60 A 48 ALA middle . . 61 A 49 THR middle . . 62 A 50 ILE middle . . 63 A 51 THR middle . . 64 A 52 ALA middle . . 65 A 53 ARG middle . . 66 A 54 GLY middle . false 67 A 55 HIS middle . . 68 A 56 GLU middle . . 69 A 57 PHE middle . . 70 A 58 GLU middle . . 71 A 59 VAL middle . . 72 A 60 GLU middle . . 73 A 61 ALA middle . . 74 A 62 LYS middle . . 75 A 63 ASP middle . . 76 A 64 GLN middle . . 77 A 65 ASN middle . . 78 A 66 CYS middle -HG . 79 A 67 LYS middle . . 80 A 68 VAL middle . . 81 A 69 ILE middle . . 82 A 70 LEU middle . . 83 A 71 THR middle . . 84 A 72 ASN middle . . 85 A 73 GLY middle . false 86 A 74 LYS middle . . 87 A 75 GLN middle . . 88 A 76 ALA middle . . 89 A 77 PRO middle . false 90 A 78 ASP middle . . 91 A 79 TRP middle . . 92 A 80 LEU middle . . 93 A 81 ALA middle . . 94 A 82 ALA middle . . 95 A 83 GLU middle . . 96 A 84 PRO middle . false 97 A 85 TYR end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 7 SER H H 1 8.288 0.000 A 7 SER HA H 1 4.448 0.000 A 7 SER HBy H 1 3.892 0.000 A 7 SER HBx H 1 3.825 0.000 A 7 SER CA C 13 58.620 0.000 A 7 SER CB C 13 64.200 0.000 A 7 SER N N 15 117.740 0.000 A 8 GLY H H 1 8.459 0.000 A 8 GLY HAx H 1 3.982 0.000 A 8 GLY HAy H 1 4.023 0.000 A 8 GLY CA C 13 45.470 0.000 A 8 GLY N N 15 110.820 0.000 A 9 ARG H H 1 8.197 0.000 A 9 ARG HA H 1 4.318 0.000 A 9 ARG HBx H 1 1.595 0.000 A 9 ARG HBy H 1 1.721 0.000 A 9 ARG HDx H 1 3.156 0.000 A 9 ARG HGx H 1 1.869 0.000 A 9 ARG CA C 13 56.340 0.000 A 9 ARG CB C 13 30.530 0.000 A 9 ARG N N 15 120.440 0.000 A 10 GLU H H 1 8.545 0.000 A 10 GLU HA H 1 4.210 0.000 A 10 GLU HBx H 1 1.937 0.000 A 10 GLU HBy H 1 2.028 0.000 A 10 GLU HGx H 1 2.267 0.000 A 10 GLU CA C 13 57.270 0.000 A 10 GLU CB C 13 29.780 0.000 A 10 GLU N N 15 121.130 0.000 A 11 ASN H H 1 8.327 0.000 A 11 ASN HA H 1 4.670 0.000 A 11 ASN HBx H 1 2.710 0.000 A 11 ASN HBy H 1 2.765 0.000 A 11 ASN HD2y H 1 7.498 0.000 A 11 ASN HD2x H 1 6.853 0.000 A 11 ASN CA C 13 53.450 0.000 A 11 ASN CB C 13 38.710 0.000 A 11 ASN N N 15 118.840 0.000 A 12 LEU H H 1 7.983 0.000 A 12 LEU HA H 1 4.192 0.000 A 12 LEU HBx H 1 1.325 0.000 A 12 LEU HDx% H 1 0.818 0.000 A 12 LEU HDy% H 1 0.752 0.000 A 12 LEU HG H 1 1.431 0.000 A 12 LEU CA C 13 55.630 0.000 A 12 LEU CB C 13 42.260 0.000 A 12 LEU N N 15 121.880 0.000 A 13 TYR H H 1 7.992 0.000 A 13 TYR HA H 1 4.498 0.000 A 13 TYR HBx H 1 2.843 0.000 A 13 TYR HBy H 1 2.929 0.000 A 13 TYR HDx H 1 6.973 0.000 A 13 TYR HDy H 1 6.973 0.000 A 13 TYR HEx H 1 6.747 0.000 A 13 TYR HEy H 1 6.747 0.000 A 13 TYR CA C 13 57.930 0.000 A 13 TYR CB C 13 38.590 0.000 A 13 TYR N N 15 119.580 0.000 A 14 PHE H H 1 8.004 0.000 A 14 PHE HA H 1 4.540 0.000 A 14 PHE HBx H 1 2.968 0.000 A 14 PHE HBy H 1 3.047 0.000 A 14 PHE HDx H 1 7.194 0.000 A 14 PHE HDy H 1 7.194 0.000 A 14 PHE CA C 13 57.950 0.000 A 14 PHE CB C 13 39.510 0.000 A 14 PHE N N 15 121.210 0.000 A 15 GLN H H 1 8.204 0.000 A 15 GLN HA H 1 4.185 0.000 A 15 GLN HBx H 1 1.884 0.000 A 15 GLN HBy H 1 2.061 0.000 A 15 GLN HE2y H 1 7.396 0.000 A 15 GLN HE2x H 1 6.802 0.000 A 15 GLN HGx H 1 2.240 0.000 A 15 GLN CA C 13 56.180 0.000 A 15 GLN CB C 13 29.110 0.000 A 15 GLN N N 15 121.890 0.000 A 16 GLY H H 1 7.913 0.000 A 16 GLY HAy H 1 3.856 0.000 A 16 GLY CA C 13 45.310 0.000 A 16 GLY N N 15 108.480 0.000 A 17 HIS H H 1 8.220 0.000 A 17 HIS HA H 1 3.877 0.000 A 17 HIS HBx H 1 3.094 0.000 A 17 HIS HBy H 1 3.239 0.000 A 17 HIS CA C 13 55.430 0.000 A 17 HIS CB C 13 29.280 0.000 A 17 HIS N N 15 118.050 0.000 A 18 MET H H 1 8.328 0.000 A 18 MET HA H 1 4.395 0.000 A 18 MET HBy H 1 1.931 0.000 A 18 MET HBx H 1 1.818 0.000 A 18 MET HE% H 1 2.460 0.000 A 18 MET HGx H 1 2.036 0.000 A 18 MET HGy H 1 2.227 0.000 A 18 MET CA C 13 55.660 0.000 A 18 MET CB C 13 32.740 0.000 A 18 MET N N 15 121.570 0.000 A 19 ALA H H 1 8.227 0.000 A 19 ALA HA H 1 3.839 0.000 A 19 ALA HB% H 1 1.382 0.000 A 19 ALA CA C 13 51.870 0.000 A 19 ALA CB C 13 20.610 0.000 A 19 ALA N N 15 125.500 0.000 A 20 ALA H H 1 8.029 0.000 A 20 ALA HA H 1 4.564 0.000 A 20 ALA HB% H 1 1.315 0.000 A 20 ALA CA C 13 50.280 0.000 A 20 ALA CB C 13 18.030 0.000 A 20 ALA N N 15 124.200 0.000 A 21 PRO HA H 1 4.403 0.000 A 21 PRO HBy H 1 1.851 0.000 A 21 PRO HBx H 1 1.802 0.000 A 21 PRO HDy H 1 3.670 0.000 A 21 PRO HDx H 1 3.512 0.000 A 21 PRO HGx H 1 2.000 0.000 A 21 PRO HGy H 1 2.257 0.000 A 21 PRO CA C 13 62.770 0.000 A 21 PRO CB C 13 32.020 0.000 A 22 ALA H H 1 8.285 0.000 A 22 ALA HA H 1 4.326 0.000 A 22 ALA HB% H 1 1.415 0.000 A 22 ALA CA C 13 52.490 0.000 A 22 ALA CB C 13 19.750 0.000 A 22 ALA N N 15 124.070 0.000 A 23 ARG H H 1 8.884 0.000 A 23 ARG HA H 1 4.561 0.000 A 23 ARG HBx H 1 1.921 0.000 A 23 ARG HBy H 1 1.999 0.000 A 23 ARG HDx H 1 3.213 0.000 A 23 ARG HGx H 1 1.416 0.000 A 23 ARG HGy H 1 1.724 0.000 A 23 ARG CA C 13 55.960 0.000 A 23 ARG CB C 13 32.100 0.000 A 23 ARG N N 15 119.490 0.000 A 24 SER H H 1 8.700 0.000 A 24 SER HA H 1 5.458 0.000 A 24 SER HBx H 1 3.845 0.000 A 24 SER HBy H 1 4.401 0.000 A 24 SER CA C 13 57.920 0.000 A 24 SER CB C 13 67.150 0.000 A 24 SER N N 15 116.310 0.000 A 25 CYS H H 1 9.232 0.000 A 25 CYS HA H 1 5.369 0.000 A 25 CYS HBx H 1 2.273 0.000 A 25 CYS HBy H 1 2.439 0.000 A 25 CYS CA C 13 53.340 0.000 A 25 CYS CB C 13 40.080 0.000 A 25 CYS N N 15 118.100 0.000 A 26 VAL H H 1 9.392 0.000 A 26 VAL HA H 1 4.503 0.000 A 26 VAL HB H 1 1.618 0.000 A 26 VAL HGx% H 1 0.487 0.000 A 26 VAL HGy% H 1 0.191 0.000 A 26 VAL CA C 13 59.750 0.000 A 26 VAL CB C 13 33.310 0.000 A 26 VAL N N 15 124.580 0.000 A 27 TYR H H 1 8.168 0.000 A 27 TYR HA H 1 5.131 0.000 A 27 TYR HBy H 1 2.661 0.000 A 27 TYR HBx H 1 2.630 0.000 A 27 TYR HDx H 1 6.791 0.000 A 27 TYR HDy H 1 6.791 0.000 A 27 TYR HEx H 1 6.360 0.000 A 27 TYR HEy H 1 6.360 0.000 A 27 TYR CA C 13 56.920 0.000 A 27 TYR CB C 13 41.050 0.000 A 27 TYR N N 15 123.350 0.000 A 28 TYR H H 1 9.432 0.000 A 28 TYR HA H 1 5.281 0.000 A 28 TYR HBy H 1 2.719 0.000 A 28 TYR HBx H 1 2.564 0.000 A 28 TYR HDx H 1 6.546 0.000 A 28 TYR HDy H 1 6.546 0.000 A 28 TYR HEx H 1 6.438 0.000 A 28 TYR HEy H 1 6.438 0.000 A 28 TYR CA C 13 56.760 0.000 A 28 TYR CB C 13 44.010 0.000 A 28 TYR N N 15 119.710 0.000 A 29 ASP H H 1 8.967 0.000 A 29 ASP HA H 1 5.251 0.000 A 29 ASP HBx H 1 2.541 0.000 A 29 ASP HBy H 1 3.011 0.000 A 29 ASP CA C 13 52.800 0.000 A 29 ASP CB C 13 41.490 0.000 A 29 ASP N N 15 118.570 0.000 A 30 GLY H H 1 9.056 0.000 A 30 GLY HAx H 1 3.724 0.000 A 30 GLY HAy H 1 4.734 0.000 A 30 GLY CA C 13 44.200 0.000 A 30 GLY N N 15 114.970 0.000 A 31 HIS H H 1 7.986 0.000 A 31 HIS HA H 1 4.434 0.000 A 31 HIS HBx H 1 2.767 0.000 A 31 HIS HBy H 1 3.155 0.000 A 31 HIS HD2 H 1 7.029 0.000 A 31 HIS HE1 H 1 8.548 0.000 A 31 HIS CA C 13 56.970 0.000 A 31 HIS CB C 13 33.370 0.000 A 31 HIS N N 15 115.050 0.000 A 32 LEU H H 1 8.445 0.000 A 32 LEU HA H 1 4.805 0.000 A 32 LEU HBx H 1 1.730 0.000 A 32 LEU HBy H 1 1.754 0.000 A 32 LEU HDx% H 1 0.954 0.000 A 32 LEU HDy% H 1 0.913 0.000 A 32 LEU HG H 1 1.556 0.000 A 32 LEU CA C 13 51.910 0.000 A 32 LEU CB C 13 41.680 0.000 A 32 LEU N N 15 123.910 0.000 A 33 PRO HA H 1 3.752 0.000 A 33 PRO HBx H 1 1.808 0.000 A 33 PRO HBy H 1 1.908 0.000 A 33 PRO HDx H 1 3.821 0.000 A 33 PRO HDy H 1 4.081 0.000 A 33 PRO HGx H 1 2.137 0.000 A 33 PRO HGy H 1 2.224 0.000 A 33 PRO CA C 13 65.500 0.000 A 33 PRO CB C 13 31.960 0.000 A 34 ALA H H 1 8.168 0.000 A 34 ALA HA H 1 4.191 0.000 A 34 ALA HB% H 1 1.453 0.000 A 34 ALA CA C 13 54.540 0.000 A 34 ALA CB C 13 19.520 0.000 A 34 ALA N N 15 115.220 0.000 A 35 THR H H 1 7.204 0.000 A 35 THR HA H 1 4.597 0.000 A 35 THR HB H 1 4.398 0.000 A 35 THR HG2% H 1 1.090 0.000 A 35 THR CA C 13 60.400 0.000 A 35 THR CB C 13 70.500 0.000 A 35 THR N N 15 102.150 0.000 A 36 ARG H H 1 7.932 0.000 A 36 ARG HA H 1 4.748 0.000 A 36 ARG HBy H 1 1.493 0.000 A 36 ARG HBx H 1 1.387 0.000 A 36 ARG HDx H 1 3.752 0.000 A 36 ARG HE H 1 6.638 0.000 A 36 ARG HGx H 1 1.722 0.000 A 36 ARG HGy H 1 1.817 0.000 A 36 ARG CA C 13 56.090 0.000 A 36 ARG CB C 13 30.110 0.000 A 36 ARG N N 15 122.630 0.000 A 37 VAL H H 1 8.606 0.000 A 37 VAL HA H 1 4.330 0.000 A 37 VAL HB H 1 2.125 0.000 A 37 VAL HGx% H 1 1.005 0.000 A 37 VAL HGy% H 1 1.078 0.000 A 37 VAL CA C 13 61.340 0.000 A 37 VAL CB C 13 35.270 0.000 A 37 VAL N N 15 122.190 0.000 A 38 LEU H H 1 8.678 0.000 A 38 LEU HA H 1 3.834 0.000 A 38 LEU HBy H 1 1.648 0.000 A 38 LEU HBx H 1 1.560 0.000 A 38 LEU HDx% H 1 0.498 0.000 A 38 LEU HDy% H 1 0.581 0.000 A 38 LEU HG H 1 0.921 0.000 A 38 LEU CA C 13 57.370 0.000 A 38 LEU CB C 13 42.000 0.000 A 38 LEU N N 15 130.540 0.000 A 39 LEU H H 1 9.248 0.000 A 39 LEU HA H 1 4.610 0.000 A 39 LEU HBx H 1 1.427 0.000 A 39 LEU HBy H 1 1.563 0.000 A 39 LEU HDx% H 1 0.850 0.000 A 39 LEU HDy% H 1 1.002 0.000 A 39 LEU HG H 1 1.893 0.000 A 39 LEU CA C 13 55.730 0.000 A 39 LEU CB C 13 42.670 0.000 A 39 LEU N N 15 126.520 0.000 A 40 MET H H 1 7.064 0.000 A 40 MET HA H 1 4.488 0.000 A 40 MET HBy H 1 2.074 0.000 A 40 MET HBx H 1 1.783 0.000 A 40 MET HE% H 1 2.113 0.000 A 40 MET HGx H 1 2.387 0.000 A 40 MET CA C 13 55.760 0.000 A 40 MET CB C 13 36.390 0.000 A 40 MET N N 15 114.140 0.000 A 41 TYR H H 1 8.384 0.000 A 41 TYR HA H 1 5.127 0.000 A 41 TYR HBx H 1 2.664 0.000 A 41 TYR HBy H 1 2.937 0.000 A 41 TYR HDx H 1 6.856 0.000 A 41 TYR HDy H 1 6.856 0.000 A 41 TYR HEx H 1 6.202 0.000 A 41 TYR HEy H 1 6.202 0.000 A 41 TYR CA C 13 57.390 0.000 A 41 TYR CB C 13 40.320 0.000 A 41 TYR N N 15 121.720 0.000 A 42 VAL H H 1 9.369 0.000 A 42 VAL HA H 1 4.293 0.000 A 42 VAL HB H 1 2.053 0.000 A 42 VAL HGx% H 1 0.877 0.000 A 42 VAL HGy% H 1 0.628 0.000 A 42 VAL CA C 13 61.250 0.000 A 42 VAL CB C 13 35.750 0.000 A 42 VAL N N 15 122.970 0.000 A 43 ARG H H 1 8.765 0.000 A 43 ARG HA H 1 4.401 0.000 A 43 ARG HBx H 1 1.781 0.000 A 43 ARG HDx H 1 3.255 0.000 A 43 ARG HE H 1 7.199 0.000 A 43 ARG HGx H 1 1.454 0.000 A 43 ARG CA C 13 56.660 0.000 A 43 ARG CB C 13 30.110 0.000 A 43 ARG N N 15 128.480 0.000 A 44 ILE H H 1 8.337 0.000 A 44 ILE HA H 1 3.749 0.000 A 44 ILE HB H 1 1.351 0.000 A 44 ILE HD1% H 1 0.544 0.000 A 44 ILE HG1y H 1 1.389 0.000 A 44 ILE HG1x H 1 0.816 0.000 A 44 ILE HG2% H 1 0.673 0.000 A 44 ILE CA C 13 64.420 0.000 A 44 ILE CB C 13 37.080 0.000 A 44 ILE N N 15 124.750 0.000 A 45 GLY H H 1 9.363 0.000 A 45 GLY HAx H 1 3.818 0.000 A 45 GLY HAy H 1 4.453 0.000 A 45 GLY CA C 13 44.450 0.000 A 45 GLY N N 15 116.450 0.000 A 46 ASN H H 1 8.305 0.000 A 46 ASN HA H 1 5.199 0.000 A 46 ASN HBy H 1 3.187 0.000 A 46 ASN HBx H 1 2.898 0.000 A 46 ASN CA C 13 51.690 0.000 A 46 ASN CB C 13 41.130 0.000 A 46 ASN N N 15 120.030 0.000 A 47 THR H H 1 7.913 0.000 A 47 THR HA H 1 5.371 0.000 A 47 THR HB H 1 4.043 0.000 A 47 THR HG2% H 1 1.067 0.000 A 47 THR CA C 13 59.430 0.000 A 47 THR CB C 13 71.580 0.000 A 47 THR N N 15 109.290 0.000 A 48 ALA H H 1 8.644 0.000 A 48 ALA HA H 1 4.593 0.000 A 48 ALA HB% H 1 1.260 0.000 A 48 ALA CA C 13 51.970 0.000 A 48 ALA CB C 13 24.500 0.000 A 48 ALA N N 15 122.350 0.000 A 49 THR H H 1 8.325 0.000 A 49 THR HA H 1 4.909 0.000 A 49 THR HB H 1 3.901 0.000 A 49 THR HG2% H 1 0.999 0.000 A 49 THR CA C 13 62.140 0.000 A 49 THR CB C 13 69.180 0.000 A 49 THR N N 15 116.080 0.000 A 50 ILE H H 1 9.201 0.000 A 50 ILE HA H 1 4.342 0.000 A 50 ILE HB H 1 1.692 0.000 A 50 ILE HD1% H 1 0.347 0.000 A 50 ILE HG1y H 1 1.317 0.000 A 50 ILE HG1x H 1 0.951 0.000 A 50 ILE HG2% H 1 0.744 0.000 A 50 ILE CA C 13 59.520 0.000 A 50 ILE CB C 13 40.670 0.000 A 50 ILE N N 15 126.740 0.000 A 51 THR H H 1 8.388 0.000 A 51 THR HA H 1 5.357 0.000 A 51 THR HB H 1 3.992 0.000 A 51 THR HG2% H 1 1.085 0.000 A 51 THR CA C 13 60.470 0.000 A 51 THR CB C 13 69.800 0.000 A 51 THR N N 15 120.250 0.000 A 52 ALA H H 1 9.014 0.000 A 52 ALA HA H 1 4.663 0.000 A 52 ALA HB% H 1 1.647 0.000 A 52 ALA CA C 13 52.180 0.000 A 52 ALA CB C 13 22.660 0.000 A 52 ALA N N 15 127.550 0.000 A 53 ARG H H 1 9.220 0.000 A 53 ARG HA H 1 3.846 0.000 A 53 ARG HBx H 1 1.718 0.000 A 53 ARG HBy H 1 2.040 0.000 A 53 ARG HDy H 1 2.550 0.000 A 53 ARG HDx H 1 1.798 0.000 A 53 ARG HE H 1 7.010 0.000 A 53 ARG HGx H 1 0.809 0.000 A 53 ARG HGy H 1 1.133 0.000 A 53 ARG CA C 13 57.030 0.000 A 53 ARG CB C 13 27.270 0.000 A 53 ARG N N 15 118.290 0.000 A 54 GLY H H 1 8.656 0.000 A 54 GLY HAx H 1 3.512 0.000 A 54 GLY HAy H 1 4.014 0.000 A 54 GLY CA C 13 45.190 0.000 A 54 GLY N N 15 102.800 0.000 A 55 HIS H H 1 8.221 0.000 A 55 HIS HA H 1 4.692 0.000 A 55 HIS HBx H 1 2.682 0.000 A 55 HIS HBy H 1 3.099 0.000 A 55 HIS HD2 H 1 6.966 0.000 A 55 HIS CA C 13 55.010 0.000 A 55 HIS CB C 13 34.090 0.000 A 55 HIS N N 15 121.140 0.000 A 56 GLU H H 1 7.946 0.000 A 56 GLU HA H 1 5.053 0.000 A 56 GLU HBy H 1 1.725 0.000 A 56 GLU HBx H 1 1.650 0.000 A 56 GLU HGy H 1 2.063 0.000 A 56 GLU HGx H 1 1.980 0.000 A 56 GLU CA C 13 54.950 0.000 A 56 GLU CB C 13 32.140 0.000 A 56 GLU N N 15 119.520 0.000 A 57 PHE H H 1 9.093 0.000 A 57 PHE HA H 1 4.832 0.000 A 57 PHE HBy H 1 2.791 0.000 A 57 PHE HBx H 1 2.627 0.000 A 57 PHE HDx H 1 7.078 0.000 A 57 PHE HDy H 1 7.078 0.000 A 57 PHE HEx H 1 7.372 0.000 A 57 PHE HEy H 1 7.372 0.000 A 57 PHE HZ H 1 7.179 0.000 A 57 PHE CA C 13 56.170 0.000 A 57 PHE CB C 13 41.650 0.000 A 57 PHE N N 15 121.750 0.000 A 58 GLU H H 1 8.537 0.000 A 58 GLU HA H 1 5.264 0.000 A 58 GLU HBy H 1 2.194 0.000 A 58 GLU HBx H 1 1.741 0.000 A 58 GLU HGx H 1 2.008 0.000 A 58 GLU CA C 13 55.330 0.000 A 58 GLU CB C 13 30.540 0.000 A 58 GLU N N 15 125.010 0.000 A 59 VAL H H 1 8.752 0.000 A 59 VAL HA H 1 5.445 0.000 A 59 VAL HB H 1 1.997 0.000 A 59 VAL HGx% H 1 0.551 0.000 A 59 VAL HGy% H 1 0.243 0.000 A 59 VAL CA C 13 58.550 0.000 A 59 VAL CB C 13 34.400 0.000 A 59 VAL N N 15 120.470 0.000 A 60 GLU H H 1 7.988 0.000 A 60 GLU HA H 1 4.618 0.000 A 60 GLU HBy H 1 1.787 0.000 A 60 GLU HBx H 1 1.584 0.000 A 60 GLU HGx H 1 1.919 0.000 A 60 GLU CA C 13 54.180 0.000 A 60 GLU CB C 13 32.870 0.000 A 60 GLU N N 15 118.530 0.000 A 61 ALA H H 1 8.196 0.000 A 61 ALA HA H 1 4.654 0.000 A 61 ALA HB% H 1 1.368 0.000 A 61 ALA CA C 13 50.520 0.000 A 61 ALA CB C 13 17.600 0.000 A 61 ALA N N 15 132.670 0.000 A 62 LYS H H 1 8.987 0.000 A 62 LYS HA H 1 4.024 0.000 A 62 LYS HBx H 1 1.617 0.000 A 62 LYS HBy H 1 1.737 0.000 A 62 LYS HDx H 1 1.600 0.000 A 62 LYS HEy H 1 2.935 0.000 A 62 LYS HEx H 1 2.907 0.000 A 62 LYS HGx H 1 1.282 0.000 A 62 LYS HGy H 1 1.423 0.000 A 62 LYS CA C 13 59.590 0.000 A 62 LYS CB C 13 34.690 0.000 A 62 LYS N N 15 125.870 0.000 A 63 ASP H H 1 7.527 0.000 A 63 ASP HA H 1 4.419 0.000 A 63 ASP HBx H 1 2.982 0.000 A 63 ASP HBy H 1 3.009 0.000 A 63 ASP CA C 13 53.150 0.000 A 63 ASP CB C 13 41.470 0.000 A 63 ASP N N 15 110.720 0.000 A 64 GLN H H 1 8.406 0.000 A 64 GLN HA H 1 4.100 0.000 A 64 GLN HBy H 1 2.162 0.000 A 64 GLN HBx H 1 2.093 0.000 A 64 GLN HE2y H 1 7.561 0.000 A 64 GLN HE2x H 1 6.937 0.000 A 64 GLN HGy H 1 2.337 0.000 A 64 GLN HGx H 1 2.312 0.000 A 64 GLN CA C 13 57.690 0.000 A 64 GLN CB C 13 27.840 0.000 A 64 GLN N N 15 112.880 0.000 A 65 ASN H H 1 8.747 0.000 A 65 ASN HA H 1 4.576 0.000 A 65 ASN HBy H 1 2.997 0.000 A 65 ASN HBx H 1 2.638 0.000 A 65 ASN HD2y H 1 7.606 0.000 A 65 ASN HD2x H 1 7.029 0.000 A 65 ASN CA C 13 55.730 0.000 A 65 ASN CB C 13 38.010 0.000 A 65 ASN N N 15 117.510 0.000 A 66 CYS H H 1 8.527 0.000 A 66 CYS HA H 1 4.369 0.000 A 66 CYS HBy H 1 2.751 0.000 A 66 CYS HBx H 1 2.264 0.000 A 66 CYS CA C 13 55.140 0.000 A 66 CYS CB C 13 36.570 0.000 A 66 CYS N N 15 112.640 0.000 A 67 LYS H H 1 7.966 0.000 A 67 LYS HA H 1 4.193 0.000 A 67 LYS HBy H 1 1.686 0.000 A 67 LYS HBx H 1 1.653 0.000 A 67 LYS HDy H 1 1.515 0.000 A 67 LYS HEx H 1 3.000 0.000 A 67 LYS HGx H 1 1.283 0.000 A 67 LYS HGy H 1 1.377 0.000 A 67 LYS CA C 13 56.860 0.000 A 67 LYS CB C 13 32.190 0.000 A 67 LYS N N 15 115.730 0.000 A 68 VAL H H 1 8.942 0.000 A 68 VAL HA H 1 3.649 0.000 A 68 VAL HB H 1 2.039 0.000 A 68 VAL HGx% H 1 0.935 0.000 A 68 VAL HGy% H 1 0.650 0.000 A 68 VAL CA C 13 64.740 0.000 A 68 VAL CB C 13 30.350 0.000 A 68 VAL N N 15 126.510 0.000 A 69 ILE H H 1 8.562 0.000 A 69 ILE HA H 1 4.187 0.000 A 69 ILE HB H 1 2.065 0.000 A 69 ILE HD1% H 1 0.884 0.000 A 69 ILE HG1y H 1 1.355 0.000 A 69 ILE HG1x H 1 0.945 0.000 A 69 ILE HG2% H 1 0.843 0.000 A 69 ILE CA C 13 60.380 0.000 A 69 ILE CB C 13 41.410 0.000 A 69 ILE N N 15 132.430 0.000 A 70 LEU H H 1 8.774 0.000 A 70 LEU HA H 1 5.286 0.000 A 70 LEU HBx H 1 1.756 0.000 A 70 LEU HBy H 1 2.043 0.000 A 70 LEU HDx% H 1 0.731 0.000 A 70 LEU HDy% H 1 0.806 0.000 A 70 LEU HG H 1 1.633 0.000 A 70 LEU CA C 13 53.190 0.000 A 70 LEU CB C 13 41.220 0.000 A 70 LEU N N 15 125.350 0.000 A 71 THR H H 1 8.556 0.000 A 71 THR HA H 1 4.120 0.000 A 71 THR HB H 1 4.305 0.000 A 71 THR HG2% H 1 1.134 0.000 A 71 THR CA C 13 63.740 0.000 A 71 THR CB C 13 68.280 0.000 A 71 THR N N 15 115.310 0.000 A 72 ASN H H 1 8.163 0.000 A 72 ASN HA H 1 4.572 0.000 A 72 ASN HBy H 1 3.189 0.000 A 72 ASN HBx H 1 2.920 0.000 A 72 ASN HD2y H 1 7.283 0.000 A 72 ASN HD2x H 1 6.672 0.000 A 72 ASN CA C 13 52.710 0.000 A 72 ASN CB C 13 37.290 0.000 A 72 ASN N N 15 116.980 0.000 A 73 GLY H H 1 7.973 0.000 A 73 GLY HAx H 1 3.864 0.000 A 73 GLY HAy H 1 4.096 0.000 A 73 GLY CA C 13 45.650 0.000 A 73 GLY N N 15 106.510 0.000 A 74 LYS H H 1 7.794 0.000 A 74 LYS HA H 1 4.298 0.000 A 74 LYS HBx H 1 1.837 0.000 A 74 LYS HDx H 1 1.662 0.000 A 74 LYS HEx H 1 2.980 0.000 A 74 LYS HEy H 1 2.997 0.000 A 74 LYS HGx H 1 1.303 0.000 A 74 LYS CA C 13 55.730 0.000 A 74 LYS CB C 13 32.640 0.000 A 74 LYS N N 15 120.660 0.000 A 75 GLN H H 1 8.227 0.000 A 75 GLN HA H 1 4.160 0.000 A 75 GLN HBx H 1 1.938 0.000 A 75 GLN HBy H 1 1.977 0.000 A 75 GLN HE2y H 1 7.633 0.000 A 75 GLN HE2x H 1 6.838 0.000 A 75 GLN HGx H 1 2.417 0.000 A 75 GLN CA C 13 55.690 0.000 A 75 GLN CB C 13 29.190 0.000 A 75 GLN N N 15 119.460 0.000 A 76 ALA H H 1 8.645 0.000 A 76 ALA HA H 1 4.138 0.000 A 76 ALA HB% H 1 1.095 0.000 A 76 ALA CA C 13 50.080 0.000 A 76 ALA CB C 13 18.010 0.000 A 76 ALA N N 15 129.190 0.000 A 77 PRO HA H 1 4.226 0.000 A 77 PRO HBy H 1 1.773 0.000 A 77 PRO HBx H 1 0.078 0.000 A 77 PRO HDy H 1 3.371 0.000 A 77 PRO HDx H 1 2.520 0.000 A 77 PRO HGx H 1 0.714 0.000 A 77 PRO HGy H 1 1.419 0.000 A 77 PRO CA C 13 62.090 0.000 A 77 PRO CB C 13 31.320 0.000 A 78 ASP H H 1 8.583 0.000 A 78 ASP HA H 1 4.187 0.000 A 78 ASP HBx H 1 2.742 0.000 A 78 ASP HBy H 1 2.798 0.000 A 78 ASP CA C 13 56.500 0.000 A 78 ASP CB C 13 40.530 0.000 A 78 ASP N N 15 120.680 0.000 A 79 TRP H H 1 6.703 0.000 A 79 TRP HA H 1 4.508 0.000 A 79 TRP HBy H 1 3.735 0.000 A 79 TRP HBx H 1 3.100 0.000 A 79 TRP HD1 H 1 7.364 0.000 A 79 TRP HE1 H 1 10.330 0.000 A 79 TRP HE3 H 1 7.313 0.000 A 79 TRP HH2 H 1 7.009 0.000 A 79 TRP HZ2 H 1 7.372 0.000 A 79 TRP HZ3 H 1 6.653 0.000 A 79 TRP CA C 13 54.440 0.000 A 79 TRP CB C 13 29.390 0.000 A 79 TRP N N 15 113.800 0.000 A 80 LEU H H 1 6.581 0.000 A 80 LEU HA H 1 4.807 0.000 A 80 LEU HBy H 1 1.286 0.000 A 80 LEU HBx H 1 0.240 0.000 A 80 LEU HDx% H 1 0.633 0.000 A 80 LEU HDy% H 1 0.300 0.000 A 80 LEU HG H 1 1.199 0.000 A 80 LEU CA C 13 54.850 0.000 A 80 LEU CB C 13 42.080 0.000 A 80 LEU N N 15 123.100 0.000 A 81 ALA H H 1 9.004 0.000 A 81 ALA HA H 1 4.703 0.000 A 81 ALA HB% H 1 1.024 0.000 A 81 ALA CA C 13 50.310 0.000 A 81 ALA CB C 13 23.400 0.000 A 81 ALA N N 15 131.390 0.000 A 82 ALA H H 1 8.124 0.000 A 82 ALA HA H 1 5.638 0.000 A 82 ALA HB% H 1 0.708 0.000 A 82 ALA CA C 13 51.010 0.000 A 82 ALA CB C 13 22.690 0.000 A 82 ALA N N 15 118.880 0.000 A 83 GLU H H 1 8.627 0.000 A 83 GLU HA H 1 4.936 0.000 A 83 GLU HBy H 1 2.211 0.000 A 83 GLU HBx H 1 2.015 0.000 A 83 GLU HGx H 1 2.369 0.000 A 83 GLU CA C 13 53.010 0.000 A 83 GLU CB C 13 32.590 0.000 A 83 GLU N N 15 116.530 0.000 A 84 PRO HA H 1 5.371 0.000 A 84 PRO HBy H 1 2.408 0.000 A 84 PRO HBx H 1 1.914 0.000 A 84 PRO HDx H 1 3.587 0.000 A 84 PRO HDy H 1 3.766 0.000 A 84 PRO HGy H 1 2.063 0.000 A 84 PRO CA C 13 63.080 0.000 A 84 PRO CB C 13 32.420 0.000 A 85 TYR H H 1 8.715 0.000 A 85 TYR HA H 1 4.391 0.000 A 85 TYR HBx H 1 2.665 0.000 A 85 TYR HBy H 1 2.876 0.000 A 85 TYR HDx H 1 7.200 0.000 A 85 TYR HDy H 1 7.200 0.000 A 85 TYR HEx H 1 6.775 0.000 A 85 TYR HEy H 1 6.775 0.000 A 85 TYR CA C 13 61.100 0.000 A 85 TYR CB C 13 42.300 0.000 A 85 TYR N N 15 128.100 0.000 stop_ 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 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 7 SER HA A 8 GLY H 1.0 1.8 3.6 2 2 A 8 GLY H A 9 ARG H 1.0 1.8 4.4 3 3 A 9 ARG H A 8 GLY HAx 1.0 1.8 4.5 4 3 A 9 ARG H A 8 GLY HAy 1.0 1.8 4.5 5 4 A 8 GLY H A 8 GLY HAx 1.0 1.8 5.3 6 4 A 8 GLY H A 8 GLY HAy 1.0 1.8 5.3 7 5 A 9 ARG H A 9 ARG HGy 1.0 1.8 4.4 8 6 A 9 ARG HA A 10 GLU H 1.0 1.8 3.6 9 7 A 9 ARG H A 10 GLU H 1.0 1.8 4.4 10 8 A 9 ARG H A 9 ARG HBx 1.0 1.8 4.4 11 9 A 10 GLU H A 9 ARG HBx 1.0 1.8 4.4 12 10 A 9 ARG H A 9 ARG HBy 1.0 1.8 4.4 13 11 A 10 GLU HBy A 11 ASN H 1.0 1.8 4.8 14 12 A 11 ASN H A 10 GLU HGy 1.0 1.8 4.8 15 13 A 10 GLU H A 10 GLU HBy 1.0 1.8 4.4 16 14 A 10 GLU H A 10 GLU HGy 1.0 1.8 4.4 17 15 A 11 ASN H A 10 GLU HA 1.0 1.8 3.6 18 16 A 11 ASN H A 10 GLU HBx 1.0 1.8 4.8 19 17 A 10 GLU H A 10 GLU HBx 1.0 1.8 4.4 20 18 A 11 ASN H A 12 LEU H 1.0 1.8 4.4 21 19 A 11 ASN H A 11 ASN HBx 1.0 1.8 5.7 22 19 A 11 ASN H A 11 ASN HBy 1.0 1.8 5.7 23 20 A 12 LEU H A 11 ASN HBx 1.0 1.8 5.3 24 20 A 12 LEU H A 11 ASN HBy 1.0 1.8 5.3 25 21 A 13 TYR H A 12 LEU HBx 1.0 1.8 5.3 26 21 A 12 LEU HBy A 13 TYR H 1.0 1.8 5.3 27 22 A 12 LEU H A 12 LEU HBx 1.0 1.8 5.3 28 22 A 12 LEU H A 12 LEU HBy 1.0 1.8 5.3 29 23 A 13 TYR H A 12 LEU HA 1.0 1.8 3.6 30 24 A 12 LEU H A 12 LEU HG 1.0 1.8 3.6 31 25 A 12 LEU H A 12 LEU HDx% 1.0 1.8 6.7 32 25 A 12 LEU H A 12 LEU HDy% 1.0 1.8 6.7 33 26 A 13 TYR H A 12 LEU HDx% 1.0 1.8 6.7 34 26 A 13 TYR H A 12 LEU HDy% 1.0 1.8 6.7 35 27 A 13 TYR H A 12 LEU HG 1.0 1.8 4.4 36 28 A 13 TYR HD% A 14 PHE H 1.0 1.8 6.9 37 29 A 13 TYR H A 13 TYR HD% 1.0 1.8 6.9 38 30 A 15 GLN H A 14 PHE HBx 1.0 1.8 5.3 39 30 A 14 PHE HBy A 15 GLN H 1.0 1.8 5.3 40 31 A 15 GLN H A 14 PHE HA 1.0 1.8 3.6 41 32 A 14 PHE H A 14 PHE HD% 1.0 1.8 6.9 42 33 A 14 PHE H A 14 PHE HBx 1.0 1.8 5.3 43 33 A 14 PHE H A 14 PHE HBy 1.0 1.8 5.3 44 34 A 15 GLN H A 15 GLN HBy 1.0 1.8 4.4 45 35 A 15 GLN HGy A 16 GLY H 1.0 1.8 4.8 46 36 A 16 GLY H A 15 GLN HBx 1.0 1.8 4.4 47 37 A 15 GLN H A 16 GLY H 1.0 1.8 4.4 48 38 A 15 GLN H A 15 GLN HGy 1.0 1.8 4.4 49 39 A 15 GLN H A 15 GLN HBx 1.0 1.8 4.4 50 40 A 16 GLY H A 15 GLN HA 1.0 1.8 3.6 51 41 A 15 GLN HBy A 16 GLY H 1.0 1.8 4.4 52 42 A 16 GLY H A 16 GLY HAx 1.0 1.8 5.7 53 42 A 16 GLY H A 16 GLY HAy 1.0 1.8 5.7 54 43 A 17 HIS HBx A 18 MET H 1.0 1.8 4.8 55 44 A 17 HIS HBy A 17 HIS H 1.0 1.8 4.8 56 45 A 18 MET H A 17 HIS HBy 1.0 1.8 4.8 57 46 A 17 HIS HBx A 17 HIS H 1.0 1.8 4.8 58 47 A 18 MET HGy A 19 ALA H 1.0 1.8 4.4 59 48 A 19 ALA H A 18 MET HBx 1.0 1.8 4.4 60 49 A 19 ALA H A 18 MET HE% 1.0 1.8 5.8 61 50 A 19 ALA H A 18 MET HA 1.0 1.8 3.6 62 51 A 19 ALA H A 19 ALA HB% 1.0 1.8 5.8 63 52 A 19 ALA H A 19 ALA HA 1.0 1.8 4.8 64 53 A 19 ALA H A 20 ALA H 1.0 1.8 4.4 65 54 A 19 ALA HA A 20 ALA H 1.0 1.8 3.6 66 55 A 20 ALA H A 20 ALA HB% 1.0 1.8 5.8 67 56 A 22 ALA H A 21 PRO HBy 1.0 1.8 5.3 68 56 A 21 PRO HBx A 22 ALA H 1.0 1.8 5.3 69 57 A 22 ALA H A 21 PRO HGx 1.0 1.8 5.3 70 57 A 22 ALA H A 21 PRO HGy 1.0 1.8 5.3 71 58 A 22 ALA H A 22 ALA HA 1.0 1.8 4.4 72 59 A 22 ALA HA A 24 SER H 1.0 1.8 4.8 73 60 A 22 ALA HA A 23 ARG H 1.0 1.8 2.8 74 61 A 22 ALA H A 22 ALA HB% 1.0 1.8 5.4 75 62 A 22 ALA H A 23 ARG H 1.0 1.8 4.4 76 63 A 24 SER H A 23 ARG HA 1.0 1.8 4.4 77 64 A 24 SER H A 23 ARG H 1.0 1.8 3.6 78 65 A 23 ARG H A 23 ARG HA 1.0 1.8 3.6 79 66 A 23 ARG H A 23 ARG HBy 1.0 1.8 4.4 80 67 A 24 SER H A 23 ARG HBx 1.0 1.8 5.3 81 67 A 24 SER H A 23 ARG HBy 1.0 1.8 5.3 82 68 A 23 ARG H A 23 ARG HGx 1.0 1.8 4.5 83 68 A 23 ARG H A 23 ARG HGy 1.0 1.8 4.5 84 69 A 23 ARG H A 23 ARG HBx 1.0 1.8 4.4 85 70 A 24 SER H A 23 ARG HGx 1.0 1.8 5.3 86 70 A 24 SER H A 23 ARG HGy 1.0 1.8 5.3 87 71 A 24 SER H A 24 SER HBx 1.0 1.8 4.4 88 72 A 85 TYR H A 24 SER HBy 1.0 1.8 4.8 89 73 A 24 SER H A 25 CYS H 1.0 1.8 4.8 90 74 A 25 CYS H A 24 SER HBx 1.0 1.8 4.4 91 75 A 25 CYS H A 24 SER HBy 1.0 1.8 3.6 92 76 A 24 SER H A 24 SER HBy 1.0 1.8 4.4 93 77 A 42 VAL H A 24 SER HBy 1.0 1.8 4.4 94 78 A 42 VAL H A 24 SER HA 1.0 1.8 4.8 95 79 A 24 SER H A 24 SER HA 1.0 1.8 4.4 96 80 A 24 SER HA A 44 ILE H 1.0 1.8 3.6 97 81 A 44 ILE H A 24 SER HBy 1.0 1.8 4.4 98 82 A 25 CYS H A 24 SER HA 1.0 1.8 3.6 99 83 A 24 SER H A 44 ILE HD1% 1.0 1.8 5.8 100 84 A 25 CYS H A 42 VAL HGx% 1.0 1.8 5.4 101 85 A 25 CYS HA A 83 GLU H 1.0 1.8 4.4 102 86 A 25 CYS HA A 26 VAL H 1.0 1.8 2.2 103 87 A 25 CYS H A 26 VAL H 1.0 1.8 4.4 104 88 A 26 VAL H A 25 CYS HBy 1.0 1.8 3.6 105 89 A 25 CYS H A 25 CYS HA 1.0 1.8 3.6 106 90 A 25 CYS H A 27 TYR HE% 1.0 1.8 6.9 107 91 A 25 CYS H A 25 CYS HBy 1.0 1.8 3.6 108 92 A 42 VAL H A 25 CYS HBx 1.0 1.8 4.8 109 93 A 25 CYS H A 42 VAL HGy% 1.0 1.8 5.4 110 94 A 25 CYS H A 25 CYS HBx 1.0 1.8 3.6 111 95 A 25 CYS H A 42 VAL H 1.0 1.8 3.6 112 96 A 25 CYS H A 44 ILE HD1% 1.0 1.8 5.8 113 97 A 25 CYS H A 44 ILE H 1.0 1.8 4.4 114 98 A 26 VAL H A 25 CYS HBx 1.0 1.8 4.4 115 99 A 83 GLU H A 26 VAL HB 1.0 1.8 4.4 116 100 A 83 GLU H A 26 VAL HGy% 1.0 1.8 4.6 117 101 A 26 VAL HA A 27 TYR H 1.0 1.8 2.2 118 102 A 40 MET H A 26 VAL HGy% 1.0 1.8 6.7 119 102 A 26 VAL HGx% A 40 MET H 1.0 1.8 6.7 120 103 A 83 GLU H A 26 VAL HGx% 1.0 1.8 5.4 121 104 A 26 VAL H A 27 TYR HE% 1.0 1.8 6.9 122 105 A 26 VAL H A 26 VAL HB 1.0 1.8 3.6 123 106 A 26 VAL H A 27 TYR H 1.0 1.8 4.8 124 107 A 26 VAL HB A 27 TYR H 1.0 1.8 4.4 125 108 A 26 VAL H A 82 ALA HA 1.0 1.8 4.8 126 109 A 27 TYR H A 26 VAL HGx% 1.0 1.8 4.6 127 110 A 26 VAL H A 85 TYR HBy 1.0 1.8 5.3 128 110 A 26 VAL H A 85 TYR HBx 1.0 1.8 5.3 129 111 A 26 VAL H A 26 VAL HGx% 1.0 1.8 4.6 130 112 A 85 TYR H A 26 VAL H 1.0 1.8 4.8 131 113 A 83 GLU H A 26 VAL H 1.0 1.8 3.6 132 114 A 85 TYR H A 26 VAL HGx% 1.0 1.8 5.8 133 115 A 26 VAL H A 82 ALA HB% 1.0 1.8 5.4 134 116 A 26 VAL H A 26 VAL HA 1.0 1.8 4.4 135 117 A 26 VAL H A 26 VAL HGy% 1.0 1.8 4.6 136 118 A 27 TYR H A 26 VAL HGy% 1.0 1.8 5.4 137 119 A 81 ALA H A 27 TYR HD% 1.0 1.8 6.9 138 120 A 28 TYR H A 27 TYR HD% 1.0 1.8 6.5 139 121 A 28 TYR H A 27 TYR HA 1.0 1.8 2.2 140 122 A 27 TYR H A 27 TYR HE% 1.0 1.8 6.9 141 123 A 42 VAL H A 27 TYR HE% 1.0 1.8 6.5 142 124 A 27 TYR H A 40 MET H 1.0 1.8 3.6 143 125 A 69 ILE H A 27 TYR HE% 1.0 1.8 6.9 144 126 A 27 TYR H A 27 TYR HBx 1.0 1.8 4.5 145 126 A 27 TYR H A 27 TYR HBy 1.0 1.8 4.5 146 127 A 27 TYR H A 28 TYR H 1.0 1.8 4.8 147 128 A 81 ALA H A 27 TYR HBx 1.0 1.8 5.7 148 128 A 81 ALA H A 27 TYR HBy 1.0 1.8 5.7 149 129 A 83 GLU H A 27 TYR HA 1.0 1.8 4.4 150 130 A 60 GLU H A 27 TYR HE% 1.0 1.8 6.9 151 131 A 27 TYR H A 27 TYR HD% 1.0 1.8 5.7 152 132 A 28 TYR H A 27 TYR HBx 1.0 1.8 4.5 153 132 A 28 TYR H A 27 TYR HBy 1.0 1.8 4.5 154 133 A 40 MET H A 27 TYR HD% 1.0 1.8 6.5 155 134 A 27 TYR H A 27 TYR HA 1.0 1.8 4.4 156 135 A 27 TYR H A 42 VAL HGy% 1.0 1.8 5.4 157 136 A 39 LEU H A 27 TYR HBx 1.0 1.8 5.7 158 136 A 27 TYR HBy A 39 LEU H 1.0 1.8 5.7 159 137 A 40 MET H A 27 TYR HBx 1.0 1.8 4.5 160 137 A 40 MET H A 27 TYR HBy 1.0 1.8 4.5 161 138 A 37 VAL H A 28 TYR HBx 1.0 1.8 4.4 162 139 A 38 LEU H A 28 TYR HE% 1.0 1.8 6.5 163 140 A 39 LEU H A 28 TYR HA 1.0 1.8 3.6 164 141 A 28 TYR H A 28 TYR HD% 1.0 1.8 6.5 165 142 A 28 TYR H A 28 TYR HA 1.0 1.8 4.4 166 143 A 28 TYR H A 28 TYR HBy 1.0 1.8 3.6 167 144 A 38 LEU H A 28 TYR HD% 1.0 1.8 6.5 168 145 A 28 TYR H A 28 TYR HBx 1.0 1.8 3.6 169 146 A 28 TYR HA A 29 ASP H 1.0 1.8 2.8 170 147 A 28 TYR H A 28 TYR HE% 1.0 1.8 6.9 171 148 A 29 ASP H A 28 TYR HBx 1.0 1.8 4.4 172 149 A 83 GLU H A 28 TYR HD% 1.0 1.8 6.5 173 150 A 39 LEU H A 28 TYR HD% 1.0 1.8 6.5 174 151 A 28 TYR H A 81 ALA HB% 1.0 1.8 5.4 175 152 A 82 ALA HB% A 28 TYR H 1.0 1.8 5.4 176 153 A 37 VAL H A 28 TYR HD% 1.0 1.8 6.9 177 154 A 83 GLU H A 28 TYR HE% 1.0 1.8 6.9 178 155 A 29 ASP H A 28 TYR HD% 1.0 1.8 6.5 179 156 A 81 ALA H A 28 TYR HBx 1.0 1.8 5.7 180 156 A 81 ALA H A 28 TYR HBy 1.0 1.8 5.7 181 157 A 36 ARG H A 28 TYR HD% 1.0 1.8 6.9 182 158 A 82 ALA HA A 28 TYR H 1.0 1.8 4.4 183 159 A 28 TYR H A 29 ASP H 1.0 1.8 4.8 184 160 A 37 VAL H A 28 TYR HBy 1.0 1.8 4.4 185 161 A 81 ALA H A 28 TYR H 1.0 1.8 4.4 186 162 A 29 ASP H A 37 VAL HGy% 1.0 1.8 5.9 187 162 A 29 ASP H A 37 VAL HGx% 1.0 1.8 5.9 188 163 A 29 ASP H A 29 ASP HBy 1.0 1.8 3.6 189 164 A 29 ASP H A 29 ASP HBx 1.0 1.8 3.6 190 165 A 29 ASP H A 39 LEU HG 1.0 1.8 3.6 191 166 A 29 ASP H A 37 VAL HB 1.0 1.8 4.4 192 167 A 37 VAL H A 29 ASP HBy 1.0 1.8 4.4 193 168 A 37 VAL H A 29 ASP H 1.0 1.8 4.4 194 169 A 30 GLY H A 29 ASP HBy 1.0 1.8 4.4 195 170 A 30 GLY H A 29 ASP HBx 1.0 1.8 4.8 196 171 A 81 ALA H A 29 ASP HBy 1.0 1.8 5.7 197 171 A 81 ALA H A 29 ASP HBx 1.0 1.8 5.7 198 172 A 39 LEU H A 29 ASP H 1.0 1.8 4.4 199 173 A 29 ASP H A 38 LEU HA 1.0 1.8 4.4 200 174 A 81 ALA H A 29 ASP HA 1.0 1.8 4.8 201 175 A 29 ASP H A 39 LEU HDx% 1.0 1.8 5.4 202 176 A 37 VAL H A 29 ASP HBx 1.0 1.8 4.4 203 177 A 30 GLY H A 29 ASP HA 1.0 1.8 2.2 204 178 A 29 ASP H A 36 ARG HBy 1.0 1.8 4.8 205 179 A 30 GLY H A 79 TRP HE3 1.0 1.8 4.4 206 180 A 30 GLY HAy A 31 HIS H 1.0 1.8 2.8 207 181 A 81 ALA HB% A 30 GLY H 1.0 1.8 5.4 208 182 A 30 GLY H A 80 LEU H 1.0 1.8 4.8 209 183 A 30 GLY H A 79 TRP HBy 1.0 1.8 5.7 210 183 A 30 GLY H A 79 TRP HBx 1.0 1.8 5.7 211 184 A 31 HIS H A 30 GLY HAx 1.0 1.8 2.8 212 185 A 30 GLY H A 31 HIS H 1.0 1.8 4.4 213 186 A 30 GLY H A 30 GLY HAx 1.0 1.8 3.6 214 187 A 30 GLY H A 30 GLY HAy 1.0 1.8 3.6 215 188 A 30 GLY H A 80 LEU HDx% 1.0 1.8 5.8 216 189 A 30 GLY H A 79 TRP HA 1.0 1.8 4.4 217 190 A 31 HIS H A 31 HIS HA 1.0 1.8 4.4 218 191 A 31 HIS H A 31 HIS HBy 1.0 1.8 3.6 219 192 A 31 HIS HA A 32 LEU H 1.0 1.8 4.8 220 193 A 31 HIS HBy A 32 LEU H 1.0 1.8 4.4 221 194 A 31 HIS H A 31 HIS HBx 1.0 1.8 4.4 222 195 A 32 LEU H A 31 HIS HBx 1.0 1.8 4.4 223 196 A 31 HIS H A 31 HIS HD2 1.0 1.8 4.8 224 197 A 31 HIS H A 32 LEU H 1.0 1.8 3.6 225 198 A 34 ALA H A 32 LEU HDy% 1.0 1.8 6.7 226 198 A 32 LEU HDx% A 34 ALA H 1.0 1.8 6.7 227 199 A 34 ALA H A 32 LEU HG 1.0 1.8 4.4 228 200 A 32 LEU H A 33 PRO HDx 1.0 1.8 4.8 229 201 A 32 LEU H A 32 LEU HBx 1.0 1.8 3.6 230 202 A 32 LEU H A 32 LEU HDy% 1.0 1.8 6.7 231 202 A 32 LEU H A 32 LEU HDx% 1.0 1.8 6.7 232 203 A 32 LEU H A 32 LEU HG 1.0 1.8 4.4 233 204 A 32 LEU H A 32 LEU HA 1.0 1.8 3.6 234 205 A 36 ARG H A 32 LEU H 1.0 1.8 4.8 235 206 A 35 THR H A 32 LEU HDy% 1.0 1.8 6.7 236 206 A 32 LEU HDx% A 35 THR H 1.0 1.8 6.7 237 207 A 34 ALA H A 33 PRO HGx 1.0 1.8 4.4 238 208 A 34 ALA H A 33 PRO HA 1.0 1.8 4.4 239 209 A 34 ALA H A 33 PRO HGy 1.0 1.8 4.4 240 210 A 34 ALA H A 33 PRO HDy 1.0 1.8 4.4 241 211 A 34 ALA H A 33 PRO HDx 1.0 1.8 4.4 242 212 A 34 ALA H A 33 PRO HBy 1.0 1.8 4.4 243 213 A 34 ALA H A 33 PRO HBx 1.0 1.8 4.4 244 214 A 34 ALA H A 35 THR HG2% 1.0 1.8 5.8 245 215 A 34 ALA H A 34 ALA HA 1.0 1.8 3.6 246 216 A 35 THR H A 34 ALA HB% 1.0 1.8 4.6 247 217 A 36 ARG H A 34 ALA H 1.0 1.8 4.8 248 218 A 34 ALA H A 35 THR H 1.0 1.8 3.6 249 219 A 34 ALA H A 34 ALA HB% 1.0 1.8 3.8 250 220 A 35 THR H A 34 ALA HA 1.0 1.8 4.4 251 221 A 36 ARG H A 35 THR HA 1.0 1.8 4.4 252 222 A 35 THR H A 35 THR HG2% 1.0 1.8 4.6 253 223 A 35 THR H A 35 THR HB 1.0 1.8 4.4 254 224 A 35 THR H A 35 THR HA 1.0 1.8 3.6 255 225 A 36 ARG H A 35 THR H 1.0 1.8 2.8 256 226 A 36 ARG H A 35 THR HB 1.0 1.8 4.4 257 227 A 37 VAL H A 36 ARG HBy 1.0 1.8 4.4 258 228 A 36 ARG H A 36 ARG HBy 1.0 1.8 3.6 259 229 A 37 VAL H A 36 ARG H 1.0 1.8 4.8 260 230 A 37 VAL H A 36 ARG HBx 1.0 1.8 4.4 261 231 A 36 ARG H A 36 ARG HGx 1.0 1.8 4.4 262 232 A 36 ARG H A 36 ARG HA 1.0 1.8 3.6 263 233 A 36 ARG H A 36 ARG HDy 1.0 1.8 4.4 264 234 A 36 ARG H A 36 ARG HE 1.0 1.8 4.4 265 235 A 36 ARG H A 36 ARG HBx 1.0 1.8 3.6 266 236 A 37 VAL H A 36 ARG HA 1.0 1.8 2.8 267 237 A 36 ARG H A 36 ARG HGy 1.0 1.8 4.4 268 238 A 38 LEU H A 37 VAL HGy% 1.0 1.8 5.9 269 238 A 38 LEU H A 37 VAL HGx% 1.0 1.8 5.9 270 239 A 37 VAL H A 37 VAL HGx% 1.0 1.8 4.6 271 240 A 37 VAL H A 37 VAL HA 1.0 1.8 3.6 272 241 A 37 VAL H A 37 VAL HB 1.0 1.8 3.6 273 242 A 37 VAL H A 37 VAL HGy% 1.0 1.8 4.6 274 243 A 38 LEU H A 37 VAL HB 1.0 1.8 4.4 275 244 A 38 LEU H A 37 VAL HA 1.0 1.8 2.2 276 245 A 40 MET H A 38 LEU HA 1.0 1.8 4.8 277 246 A 40 MET H A 38 LEU HDy% 1.0 1.8 5.4 278 247 A 38 LEU H A 38 LEU HBy 1.0 1.8 3.6 279 248 A 38 LEU H A 38 LEU HDy% 1.0 1.8 5.4 280 249 A 40 MET H A 38 LEU HDx% 1.0 1.8 5.4 281 250 A 38 LEU H A 38 LEU HDx% 1.0 1.8 5.4 282 251 A 38 LEU H A 38 LEU HBx 1.0 1.8 3.6 283 252 A 39 LEU H A 38 LEU HDy% 1.0 1.8 5.4 284 253 A 38 LEU H A 38 LEU HA 1.0 1.8 4.4 285 254 A 39 LEU H A 38 LEU HBx 1.0 1.8 4.8 286 255 A 39 LEU H A 38 LEU HA 1.0 1.8 3.6 287 256 A 39 LEU H A 38 LEU HDx% 1.0 1.8 5.4 288 257 A 40 MET H A 39 LEU HDy% 1.0 1.8 5.4 289 258 A 40 MET H A 39 LEU HDx% 1.0 1.8 5.4 290 259 A 40 MET H A 39 LEU HBx 1.0 1.8 3.6 291 260 A 39 LEU H A 39 LEU HDy% 1.0 1.8 5.4 292 261 A 40 MET H A 39 LEU HG 1.0 1.8 4.4 293 262 A 39 LEU H A 39 LEU HBx 1.0 1.8 3.6 294 263 A 39 LEU H A 39 LEU HG 1.0 1.8 3.6 295 264 A 39 LEU H A 39 LEU HA 1.0 1.8 4.4 296 265 A 40 MET H A 39 LEU H 1.0 1.8 3.6 297 266 A 40 MET H A 39 LEU HA 1.0 1.8 4.4 298 267 A 39 LEU H A 39 LEU HDx% 1.0 1.8 5.4 299 268 A 40 MET H A 39 LEU HBy 1.0 1.8 3.6 300 269 A 39 LEU H A 39 LEU HBy 1.0 1.8 4.4 301 270 A 40 MET H A 41 TYR H 1.0 1.8 4.4 302 271 A 40 MET H A 40 MET HA 1.0 1.8 3.6 303 272 A 40 MET H A 40 MET HGy 1.0 1.8 4.4 304 273 A 41 TYR H A 40 MET HBy 1.0 1.8 4.4 305 274 A 40 MET H A 40 MET HBy 1.0 1.8 4.4 306 275 A 40 MET H A 40 MET HBx 1.0 1.8 4.4 307 276 A 41 TYR H A 40 MET HA 1.0 1.8 2.2 308 277 A 41 TYR H A 40 MET HBx 1.0 1.8 4.4 309 278 A 41 TYR H A 40 MET HGy 1.0 1.8 3.6 310 279 A 41 TYR H A 41 TYR HD% 1.0 1.8 5.7 311 280 A 41 TYR H A 41 TYR HA 1.0 1.8 4.4 312 281 A 41 TYR H A 41 TYR HBx 1.0 1.8 3.6 313 282 A 41 TYR H A 41 TYR HBy 1.0 1.8 3.6 314 283 A 42 VAL H A 41 TYR HBy 1.0 1.8 3.6 315 284 A 42 VAL H A 41 TYR H 1.0 1.8 4.8 316 285 A 42 VAL H A 41 TYR HA 1.0 1.8 2.2 317 286 A 42 VAL H A 41 TYR HBx 1.0 1.8 4.4 318 287 A 43 ARG H A 42 VAL HGx% 1.0 1.8 4.6 319 288 A 43 ARG H A 42 VAL HGy% 1.0 1.8 5.4 320 289 A 48 ALA H A 42 VAL HGx% 1.0 1.8 5.4 321 290 A 43 ARG H A 42 VAL HA 1.0 1.8 2.2 322 291 A 42 VAL H A 42 VAL HGx% 1.0 1.8 5.4 323 292 A 59 VAL H A 42 VAL HGy% 1.0 1.8 7.1 324 292 A 42 VAL HGx% A 59 VAL H 1.0 1.8 7.1 325 293 A 42 VAL H A 43 ARG H 1.0 1.8 4.4 326 294 A 42 VAL H A 42 VAL HGy% 1.0 1.8 4.6 327 295 A 42 VAL HGx% A 46 ASN HD2x 1.0 1.8 6.3 328 295 A 42 VAL HGx% A 46 ASN HD2y 1.0 1.8 6.3 329 296 A 61 ALA H A 42 VAL HGy% 1.0 1.8 5.9 330 296 A 42 VAL HGx% A 61 ALA H 1.0 1.8 5.9 331 297 A 42 VAL HGx% A 46 ASN H 1.0 1.8 5.4 332 298 A 60 GLU H A 42 VAL HGy% 1.0 1.8 7.1 333 298 A 60 GLU H A 42 VAL HGx% 1.0 1.8 7.1 334 299 A 42 VAL H A 42 VAL HA 1.0 1.8 3.6 335 300 A 43 ARG H A 42 VAL HB 1.0 1.8 4.4 336 301 A 48 ALA H A 42 VAL HGy% 1.0 1.8 5.4 337 302 A 44 ILE H A 43 ARG HA 1.0 1.8 2.8 338 303 A 44 ILE H A 43 ARG H 1.0 1.8 4.4 339 304 A 43 ARG H A 43 ARG HA 1.0 1.8 3.6 340 305 A 43 ARG H A 43 ARG HDy 1.0 1.8 4.8 341 306 A 46 ASN H A 43 ARG HBy 1.0 1.8 4.4 342 307 A 44 ILE H A 43 ARG HGy 1.0 1.8 4.4 343 308 A 44 ILE H A 43 ARG HBy 1.0 1.8 4.4 344 309 A 46 ASN HD2x A 43 ARG HBy 1.0 1.8 4.5 345 309 A 43 ARG HBy A 46 ASN HD2y 1.0 1.8 4.5 346 310 A 43 ARG H A 43 ARG HBy 1.0 1.8 3.6 347 311 A 43 ARG H A 43 ARG HGy 1.0 1.8 4.8 348 312 A 43 ARG H A 46 ASN HBy 1.0 1.8 4.4 349 313 A 44 ILE H A 43 ARG HDy 1.0 1.8 4.4 350 314 A 43 ARG H A 46 ASN HBx 1.0 1.8 4.4 351 315 A 43 ARG H A 46 ASN HD2y 1.0 1.8 5.3 352 315 A 43 ARG H A 46 ASN HD2x 1.0 1.8 5.3 353 316 A 44 ILE HG2% A 45 GLY H 1.0 1.8 4.6 354 317 A 45 GLY H A 44 ILE HB 1.0 1.8 4.4 355 318 A 45 GLY H A 44 ILE HA 1.0 1.8 2.4 356 319 A 44 ILE H A 45 GLY H 1.0 1.8 4.8 357 320 A 44 ILE H A 44 ILE HB 1.0 1.8 2.8 358 321 A 44 ILE H A 44 ILE HD1% 1.0 1.8 5.4 359 322 A 46 ASN H A 44 ILE HG2% 1.0 1.8 5.4 360 323 A 45 GLY H A 44 ILE HG1y 1.0 1.8 4.8 361 324 A 44 ILE H A 44 ILE HG2% 1.0 1.8 5.4 362 325 A 44 ILE H A 44 ILE HG1y 1.0 1.8 3.6 363 326 A 44 ILE H A 44 ILE HA 1.0 1.8 3.6 364 327 A 46 ASN H A 44 ILE HA 1.0 1.8 3.6 365 328 A 44 ILE HD1% A 64 GLN H 1.0 1.8 5.4 366 329 A 44 ILE HG2% A 63 ASP H 1.0 1.8 4.6 367 330 A 44 ILE HG2% A 64 GLN H 1.0 1.8 5.4 368 331 A 44 ILE HD1% A 63 ASP H 1.0 1.8 5.4 369 332 A 44 ILE HD1% A 45 GLY H 1.0 1.8 5.8 370 333 A 46 ASN H A 45 GLY HAx 1.0 1.8 3.6 371 334 A 45 GLY H A 46 ASN HBx 1.0 1.8 4.4 372 335 A 45 GLY H A 45 GLY HAy 1.0 1.8 3.6 373 336 A 45 GLY H A 45 GLY HAx 1.0 1.8 3.6 374 337 A 45 GLY H A 62 LYS HA 1.0 1.8 4.4 375 338 A 45 GLY H A 61 ALA HB% 1.0 1.8 4.6 376 339 A 46 ASN H A 45 GLY H 1.0 1.8 2.8 377 340 A 46 ASN H A 45 GLY HAy 1.0 1.8 3.6 378 341 A 61 ALA H A 45 GLY H 1.0 1.8 4.8 379 342 A 46 ASN H A 61 ALA HB% 1.0 1.8 4.6 380 343 A 46 ASN H A 46 ASN HBx 1.0 1.8 3.6 381 344 A 46 ASN H A 46 ASN HA 1.0 1.8 3.6 382 345 A 47 THR H A 46 ASN HBy 1.0 1.8 3.6 383 346 A 61 ALA H A 46 ASN H 1.0 1.8 4.4 384 347 A 46 ASN HD2x A 46 ASN HBy 1.0 1.8 5.3 385 347 A 46 ASN HBy A 46 ASN HD2y 1.0 1.8 5.3 386 348 A 46 ASN HD2x A 46 ASN HBx 1.0 1.8 4.5 387 348 A 46 ASN HBx A 46 ASN HD2y 1.0 1.8 4.5 388 349 A 46 ASN HA A 46 ASN HD2y 1.0 1.8 5.7 389 349 A 46 ASN HD2x A 46 ASN HA 1.0 1.8 5.7 390 350 A 47 THR H A 46 ASN HBx 1.0 1.8 3.6 391 351 A 46 ASN H A 46 ASN HBy 1.0 1.8 3.6 392 352 A 46 ASN HA A 47 THR H 1.0 1.8 2.2 393 353 A 46 ASN H A 47 THR H 1.0 1.8 4.4 394 354 A 48 ALA H A 47 THR HG2% 1.0 1.8 4.6 395 355 A 48 ALA H A 47 THR H 1.0 1.8 4.4 396 356 A 61 ALA H A 47 THR HA 1.0 1.8 3.6 397 357 A 48 ALA H A 47 THR HA 1.0 1.8 2.2 398 358 A 61 ALA H A 47 THR HG2% 1.0 1.8 5.4 399 359 A 47 THR H A 47 THR HG2% 1.0 1.8 4.6 400 360 A 48 ALA H A 47 THR HB 1.0 1.8 2.4 401 361 A 47 THR H A 47 THR HB 1.0 1.8 3.6 402 362 A 47 THR H A 47 THR HA 1.0 1.8 3.6 403 363 A 48 ALA H A 59 VAL HGy% 1.0 1.8 4.6 404 364 A 48 ALA H A 48 ALA HB% 1.0 1.8 4.6 405 365 A 48 ALA H A 58 GLU HGy 1.0 1.8 4.4 406 366 A 48 ALA H A 58 GLU HA 1.0 1.8 4.4 407 367 A 48 ALA H A 59 VAL H 1.0 1.8 3.6 408 368 A 48 ALA H A 59 VAL HGx% 1.0 1.8 5.8 409 369 A 48 ALA HB% A 49 THR H 1.0 1.8 3.8 410 370 A 49 THR H A 48 ALA HA 1.0 1.8 2.2 411 371 A 48 ALA H A 49 THR H 1.0 1.8 4.4 412 372 A 48 ALA H A 61 ALA H 1.0 1.8 4.4 413 373 A 48 ALA H A 48 ALA HA 1.0 1.8 3.6 414 374 A 49 THR H A 49 THR HG2% 1.0 1.8 5.4 415 375 A 49 THR H A 50 ILE H 1.0 1.8 4.8 416 376 A 50 ILE H A 49 THR HB 1.0 1.8 4.8 417 377 A 50 ILE H A 49 THR HA 1.0 1.8 2.2 418 378 A 49 THR HA A 57 PHE H 1.0 1.8 4.4 419 379 A 59 VAL H A 49 THR HA 1.0 1.8 4.4 420 380 A 49 THR H A 58 GLU HGy 1.0 1.8 4.8 421 381 A 49 THR H A 49 THR HB 1.0 1.8 3.6 422 382 A 49 THR H A 49 THR HA 1.0 1.8 3.6 423 383 A 50 ILE H A 50 ILE HG2% 1.0 1.8 5.4 424 384 A 50 ILE H A 50 ILE HG1x 1.0 1.8 4.8 425 385 A 50 ILE H A 56 GLU HA 1.0 1.8 4.8 426 386 A 58 GLU HA A 50 ILE H 1.0 1.8 4.4 427 387 A 50 ILE H A 59 VAL HGx% 1.0 1.8 5.8 428 388 A 50 ILE HB A 51 THR H 1.0 1.8 4.4 429 389 A 50 ILE H A 59 VAL HGy% 1.0 1.8 5.8 430 390 A 57 PHE H A 50 ILE HD1% 1.0 1.8 5.8 431 391 A 57 PHE H A 50 ILE HG2% 1.0 1.8 5.8 432 392 A 59 VAL H A 50 ILE H 1.0 1.8 4.4 433 393 A 50 ILE H A 50 ILE HG1y 1.0 1.8 4.8 434 394 A 50 ILE H A 50 ILE HB 1.0 1.8 3.6 435 395 A 50 ILE H A 50 ILE HA 1.0 1.8 3.6 436 396 A 51 THR H A 50 ILE HD1% 1.0 1.8 5.4 437 397 A 57 PHE H A 50 ILE HG1x 1.0 1.8 4.8 438 398 A 50 ILE HG2% A 52 ALA H 1.0 1.8 5.8 439 399 A 50 ILE HG2% A 51 THR H 1.0 1.8 4.6 440 400 A 51 THR H A 50 ILE HA 1.0 1.8 2.2 441 401 A 50 ILE H A 51 THR H 1.0 1.8 4.8 442 402 A 50 ILE H A 50 ILE HD1% 1.0 1.8 5.8 443 403 A 51 THR HA A 55 HIS H 1.0 1.8 4.4 444 404 A 57 PHE H A 51 THR HA 1.0 1.8 4.4 445 405 A 55 HIS H A 51 THR HG2% 1.0 1.8 5.4 446 406 A 51 THR HG2% A 54 GLY H 1.0 1.8 5.4 447 407 A 52 ALA H A 51 THR HB 1.0 1.8 4.4 448 408 A 51 THR H A 52 ALA H 1.0 1.8 4.4 449 409 A 52 ALA H A 51 THR HG2% 1.0 1.8 4.6 450 410 A 52 ALA H A 51 THR HA 1.0 1.8 2.2 451 411 A 51 THR H A 56 GLU HGx 1.0 1.8 4.4 452 412 A 51 THR H A 51 THR HB 1.0 1.8 3.6 453 413 A 51 THR H A 51 THR HA 1.0 1.8 3.6 454 414 A 51 THR H A 51 THR HG2% 1.0 1.8 5.4 455 415 A 52 ALA H A 52 ALA HB% 1.0 1.8 4.6 456 416 A 52 ALA H A 55 HIS HBy 1.0 1.8 4.8 457 417 A 55 HIS H A 52 ALA HB% 1.0 1.8 5.4 458 418 A 52 ALA HB% A 53 ARG H 1.0 1.8 4.6 459 419 A 52 ALA H A 57 PHE HD% 1.0 1.8 6.5 460 420 A 52 ALA H A 55 HIS HBx 1.0 1.8 4.4 461 421 A 52 ALA H A 52 ALA HA 1.0 1.8 4.4 462 422 A 56 GLU HA A 52 ALA H 1.0 1.8 4.4 463 423 A 52 ALA H A 57 PHE HE% 1.0 1.8 6.5 464 424 A 52 ALA H A 55 HIS H 1.0 1.8 3.6 465 425 A 52 ALA H A 54 GLY H 1.0 1.8 4.4 466 426 A 55 HIS H A 53 ARG H 1.0 1.8 4.8 467 427 A 55 HIS H A 53 ARG HA 1.0 1.8 4.4 468 428 A 54 GLY H A 53 ARG HGy 1.0 1.8 4.8 469 429 A 54 GLY H A 53 ARG HBx 1.0 1.8 4.8 470 430 A 54 GLY H A 53 ARG H 1.0 1.8 3.6 471 431 A 54 GLY H A 53 ARG HBy 1.0 1.8 4.8 472 432 A 53 ARG H A 53 ARG HGx 1.0 1.8 4.4 473 433 A 54 GLY H A 53 ARG HA 1.0 1.8 2.8 474 434 A 53 ARG H A 53 ARG HGy 1.0 1.8 4.4 475 435 A 53 ARG H A 53 ARG HBx 1.0 1.8 4.8 476 436 A 53 ARG H A 53 ARG HA 1.0 1.8 3.6 477 437 A 55 HIS H A 54 GLY HAy 1.0 1.8 4.4 478 438 A 55 HIS H A 54 GLY HAx 1.0 1.8 4.4 479 439 A 55 HIS H A 54 GLY H 1.0 1.8 3.6 480 440 A 54 GLY H A 54 GLY HAx 1.0 1.8 3.6 481 441 A 54 GLY H A 54 GLY HAy 1.0 1.8 3.6 482 442 A 55 HIS HA A 56 GLU H 1.0 1.8 2.2 483 443 A 55 HIS H A 57 PHE HE% 1.0 1.8 6.5 484 444 A 55 HIS H A 55 HIS HD2 1.0 1.8 4.4 485 445 A 55 HIS H A 55 HIS HA 1.0 1.8 3.6 486 446 A 55 HIS HBy A 56 GLU H 1.0 1.8 3.6 487 447 A 55 HIS HBx A 56 GLU H 1.0 1.8 4.4 488 448 A 55 HIS H A 55 HIS HBy 1.0 1.8 4.4 489 449 A 55 HIS H A 55 HIS HBx 1.0 1.8 3.6 490 450 A 56 GLU H A 56 GLU HBy 1.0 1.8 3.6 491 451 A 56 GLU H A 56 GLU HBx 1.0 1.8 3.6 492 452 A 57 PHE HD% A 56 GLU H 1.0 1.8 6.9 493 453 A 57 PHE H A 56 GLU HBx 1.0 1.8 4.4 494 454 A 57 PHE H A 56 GLU HGx 1.0 1.8 4.4 495 455 A 56 GLU HGx A 56 GLU H 1.0 1.8 3.6 496 456 A 56 GLU HA A 56 GLU H 1.0 1.8 3.6 497 457 A 57 PHE H A 56 GLU H 1.0 1.8 4.4 498 458 A 57 PHE H A 56 GLU HBy 1.0 1.8 4.4 499 459 A 57 PHE H A 56 GLU HA 1.0 1.8 2.2 500 460 A 57 PHE HD% A 58 GLU H 1.0 1.8 6.5 501 461 A 58 GLU H A 57 PHE HBx 1.0 1.8 4.4 502 462 A 58 GLU H A 57 PHE HA 1.0 1.8 2.2 503 463 A 58 GLU H A 57 PHE HBy 1.0 1.8 4.4 504 464 A 57 PHE H A 58 GLU H 1.0 1.8 4.4 505 465 A 57 PHE H A 57 PHE HD% 1.0 1.8 5.7 506 466 A 57 PHE H A 57 PHE HBx 1.0 1.8 3.6 507 467 A 57 PHE H A 57 PHE HBy 1.0 1.8 4.4 508 468 A 57 PHE H A 57 PHE HA 1.0 1.8 3.6 509 469 A 58 GLU HBx A 71 THR H 1.0 1.8 4.4 510 470 A 58 GLU H A 71 THR HG2% 1.0 1.8 5.8 511 471 A 59 VAL H A 58 GLU HBx 1.0 1.8 4.4 512 472 A 58 GLU H A 58 GLU HBy 1.0 1.8 3.6 513 473 A 58 GLU H A 58 GLU HBx 1.0 1.8 3.6 514 474 A 58 GLU H A 58 GLU HGx 1.0 1.8 5.3 515 474 A 58 GLU H A 58 GLU HGy 1.0 1.8 5.3 516 475 A 58 GLU HA A 58 GLU H 1.0 1.8 3.6 517 476 A 59 VAL H A 58 GLU H 1.0 1.8 4.4 518 477 A 59 VAL H A 58 GLU HBy 1.0 1.8 4.4 519 478 A 59 VAL H A 58 GLU HA 1.0 1.8 2.2 520 479 A 71 THR H A 59 VAL HA 1.0 1.8 3.6 521 480 A 60 GLU H A 59 VAL HGy% 1.0 1.8 5.4 522 481 A 60 GLU H A 59 VAL HGx% 1.0 1.8 4.6 523 482 A 71 THR H A 59 VAL HGy% 1.0 1.8 5.8 524 483 A 60 GLU H A 59 VAL HA 1.0 1.8 2.2 525 484 A 69 ILE H A 59 VAL HGy% 1.0 1.8 5.8 526 485 A 60 GLU H A 59 VAL H 1.0 1.8 4.8 527 486 A 59 VAL H A 71 THR HG2% 1.0 1.8 5.8 528 487 A 71 THR H A 59 VAL HGx% 1.0 1.8 5.4 529 488 A 69 ILE H A 59 VAL HGx% 1.0 1.8 5.8 530 489 A 61 ALA H A 59 VAL HGy% 1.0 1.8 7.1 531 489 A 61 ALA H A 59 VAL HGx% 1.0 1.8 7.1 532 490 A 59 VAL H A 59 VAL HGy% 1.0 1.8 4.6 533 491 A 59 VAL H A 59 VAL HGx% 1.0 1.8 4.6 534 492 A 59 VAL H A 59 VAL HA 1.0 1.8 3.6 535 493 A 69 ILE H A 60 GLU H 1.0 1.8 4.8 536 494 A 60 GLU H A 71 THR H 1.0 1.8 4.4 537 495 A 60 GLU H A 71 THR HG2% 1.0 1.8 5.4 538 496 A 60 GLU H A 60 GLU HBy 1.0 1.8 3.6 539 497 A 60 GLU H A 60 GLU HBx 1.0 1.8 3.6 540 498 A 60 GLU H A 60 GLU HA 1.0 1.8 3.6 541 499 A 60 GLU H A 62 LYS H 1.0 1.8 4.8 542 500 A 61 ALA H A 60 GLU HBx 1.0 1.8 4.8 543 501 A 60 GLU H A 70 LEU HA 1.0 1.8 4.4 544 502 A 60 GLU H A 61 ALA H 1.0 1.8 4.4 545 503 A 61 ALA H A 60 GLU HBy 1.0 1.8 4.4 546 504 A 61 ALA H A 60 GLU HGy 1.0 1.8 4.4 547 505 A 61 ALA H A 60 GLU HA 1.0 1.8 2.2 548 506 A 61 ALA H A 62 LYS H 1.0 1.8 4.8 549 507 A 61 ALA H A 61 ALA HB% 1.0 1.8 4.6 550 508 A 61 ALA H A 61 ALA HA 1.0 1.8 4.4 551 509 A 63 ASP H A 62 LYS HGy 1.0 1.8 4.4 552 510 A 63 ASP H A 62 LYS HBx 1.0 1.8 4.5 553 510 A 63 ASP H A 62 LYS HBy 1.0 1.8 4.5 554 511 A 63 ASP H A 62 LYS HA 1.0 1.8 4.4 555 512 A 62 LYS H A 62 LYS HGy 1.0 1.8 4.4 556 513 A 62 LYS H A 62 LYS HGx 1.0 1.8 3.6 557 514 A 62 LYS H A 62 LYS HBy 1.0 1.8 3.6 558 515 A 62 LYS H A 62 LYS HBx 1.0 1.8 3.6 559 516 A 62 LYS HA A 62 LYS H 1.0 1.8 3.6 560 517 A 63 ASP H A 62 LYS H 1.0 1.8 2.8 561 518 A 63 ASP H A 62 LYS HGx 1.0 1.8 4.4 562 519 A 63 ASP H A 63 ASP HA 1.0 1.8 3.6 563 520 A 64 GLN H A 63 ASP H 1.0 1.8 4.4 564 521 A 63 ASP H A 63 ASP HBy 1.0 1.8 4.5 565 521 A 63 ASP H A 63 ASP HBx 1.0 1.8 4.5 566 522 A 64 GLN H A 63 ASP HA 1.0 1.8 2.8 567 523 A 64 GLN H A 63 ASP HBy 1.0 1.8 4.5 568 523 A 64 GLN H A 63 ASP HBx 1.0 1.8 4.5 569 524 A 63 ASP H A 65 ASN H 1.0 1.8 4.4 570 525 A 63 ASP H A 66 CYS H 1.0 1.8 4.4 571 526 A 66 CYS H A 64 GLN HA 1.0 1.8 4.4 572 527 A 65 ASN H A 64 GLN HBx 1.0 1.8 5.3 573 527 A 65 ASN H A 64 GLN HBy 1.0 1.8 5.3 574 528 A 65 ASN H A 64 GLN HGx 1.0 1.8 5.3 575 528 A 65 ASN H A 64 GLN HGy 1.0 1.8 5.3 576 529 A 65 ASN H A 64 GLN HA 1.0 1.8 4.4 577 530 A 64 GLN HBy A 64 GLN HE2x 1.0 1.8 6.5 578 530 A 64 GLN HBx A 64 GLN HE2x 1.0 1.8 6.5 579 530 A 64 GLN HE2y A 64 GLN HBx 1.0 1.8 6.5 580 530 A 64 GLN HBy A 64 GLN HE2y 1.0 1.8 6.5 581 531 A 66 CYS H A 64 GLN HBx 1.0 1.8 5.7 582 531 A 66 CYS H A 64 GLN HBy 1.0 1.8 5.7 583 532 A 64 GLN H A 65 ASN H 1.0 1.8 3.6 584 533 A 64 GLN H A 64 GLN HA 1.0 1.8 3.6 585 534 A 64 GLN H A 64 GLN HGx 1.0 1.8 4.5 586 534 A 64 GLN H A 64 GLN HGy 1.0 1.8 4.5 587 535 A 64 GLN H A 64 GLN HBx 1.0 1.8 4.5 588 535 A 64 GLN H A 64 GLN HBy 1.0 1.8 4.5 589 536 A 64 GLN HE2x A 64 GLN HGx 1.0 1.8 5.3 590 536 A 64 GLN HE2y A 64 GLN HGx 1.0 1.8 5.3 591 536 A 64 GLN HGy A 64 GLN HE2x 1.0 1.8 5.3 592 536 A 64 GLN HGy A 64 GLN HE2y 1.0 1.8 5.3 593 537 A 65 ASN H A 65 ASN HBy 1.0 1.8 3.6 594 538 A 65 ASN H A 65 ASN HBx 1.0 1.8 3.6 595 539 A 66 CYS H A 65 ASN HBy 1.0 1.8 4.4 596 540 A 66 CYS H A 65 ASN HBx 1.0 1.8 4.4 597 541 A 66 CYS H A 65 ASN HA 1.0 1.8 4.4 598 542 A 65 ASN H A 65 ASN HA 1.0 1.8 3.6 599 543 A 65 ASN HA A 65 ASN HD2x 1.0 1.8 5.7 600 543 A 65 ASN HA A 65 ASN HD2y 1.0 1.8 5.7 601 544 A 65 ASN HBy A 65 ASN HD2x 1.0 1.8 4.5 602 544 A 65 ASN HBy A 65 ASN HD2y 1.0 1.8 4.5 603 545 A 65 ASN H A 67 LYS H 1.0 1.8 4.8 604 546 A 65 ASN HBx A 65 ASN HD2x 1.0 1.8 4.5 605 546 A 65 ASN HBx A 65 ASN HD2y 1.0 1.8 4.5 606 547 A 65 ASN H A 66 CYS H 1.0 1.8 2.8 607 548 A 65 ASN H A 65 ASN HD2x 1.0 1.8 5.3 608 548 A 65 ASN H A 65 ASN HD2y 1.0 1.8 5.3 609 549 A 67 LYS H A 66 CYS HA 1.0 1.8 2.8 610 550 A 66 CYS H A 66 CYS HBy 1.0 1.8 4.4 611 551 A 66 CYS H A 66 CYS HBx 1.0 1.8 4.4 612 552 A 67 LYS H A 66 CYS HBy 1.0 1.8 4.8 613 553 A 67 LYS H A 66 CYS HBx 1.0 1.8 4.4 614 554 A 66 CYS H A 67 LYS H 1.0 1.8 3.6 615 555 A 66 CYS H A 66 CYS HA 1.0 1.8 2.8 616 556 A 68 VAL H A 67 LYS HGx 1.0 1.8 4.4 617 557 A 68 VAL H A 67 LYS HDx 1.0 1.8 4.4 618 558 A 68 VAL H A 67 LYS HBy 1.0 1.8 4.5 619 558 A 68 VAL H A 67 LYS HBx 1.0 1.8 4.5 620 559 A 67 LYS H A 69 ILE HD1% 1.0 1.8 5.4 621 560 A 67 LYS H A 67 LYS HGx 1.0 1.8 4.5 622 560 A 67 LYS H A 67 LYS HGy 1.0 1.8 4.5 623 561 A 67 LYS H A 67 LYS HDx 1.0 1.8 3.6 624 562 A 67 LYS H A 67 LYS HEy 1.0 1.8 4.4 625 563 A 69 ILE H A 67 LYS HBy 1.0 1.8 5.7 626 563 A 69 ILE H A 67 LYS HBx 1.0 1.8 5.7 627 564 A 68 VAL H A 67 LYS HA 1.0 1.8 2.2 628 565 A 67 LYS H A 68 VAL H 1.0 1.8 4.4 629 566 A 67 LYS H A 67 LYS HBy 1.0 1.8 4.5 630 566 A 67 LYS H A 67 LYS HBx 1.0 1.8 4.5 631 567 A 67 LYS H A 67 LYS HA 1.0 1.8 3.6 632 568 A 68 VAL H A 68 VAL HGy% 1.0 1.8 5.4 633 569 A 68 VAL H A 68 VAL HA 1.0 1.8 4.4 634 570 A 70 LEU H A 68 VAL HGy% 1.0 1.8 5.8 635 571 A 68 VAL H A 68 VAL HGx% 1.0 1.8 4.6 636 572 A 68 VAL H A 68 VAL HB 1.0 1.8 3.6 637 573 A 76 ALA H A 68 VAL HGy% 1.0 1.8 6.7 638 573 A 68 VAL HGx% A 76 ALA H 1.0 1.8 6.7 639 574 A 69 ILE H A 68 VAL H 1.0 1.8 4.8 640 575 A 69 ILE H A 68 VAL HGy% 1.0 1.8 4.6 641 576 A 69 ILE H A 68 VAL HA 1.0 1.8 2.8 642 577 A 69 ILE H A 69 ILE HG1x 1.0 1.8 4.4 643 578 A 69 ILE H A 69 ILE HA 1.0 1.8 4.4 644 579 A 69 ILE H A 70 LEU H 1.0 1.8 4.4 645 580 A 70 LEU H A 69 ILE HA 1.0 1.8 2.2 646 581 A 70 LEU H A 69 ILE HG1x 1.0 1.8 4.8 647 582 A 69 ILE H A 69 ILE HD1% 1.0 1.8 5.4 648 583 A 69 ILE H A 69 ILE HB 1.0 1.8 3.6 649 584 A 76 ALA H A 70 LEU HDy% 1.0 1.8 6.7 650 584 A 76 ALA H A 70 LEU HDx% 1.0 1.8 6.7 651 585 A 75 GLN H A 70 LEU HDy% 1.0 1.8 7.1 652 585 A 70 LEU HDx% A 75 GLN H 1.0 1.8 7.1 653 586 A 70 LEU HBx A 74 LYS H 1.0 1.8 4.4 654 587 A 74 LYS H A 70 LEU HDy% 1.0 1.8 6.7 655 587 A 70 LEU HDx% A 74 LYS H 1.0 1.8 6.7 656 588 A 73 GLY H A 70 LEU HDy% 1.0 1.8 7.1 657 588 A 70 LEU HDx% A 73 GLY H 1.0 1.8 7.1 658 589 A 73 GLY H A 70 LEU HBy 1.0 1.8 4.4 659 590 A 70 LEU HBx A 73 GLY H 1.0 1.8 4.4 660 591 A 70 LEU HBx A 72 ASN H 1.0 1.8 4.4 661 592 A 70 LEU HA A 72 ASN H 1.0 1.8 4.4 662 593 A 71 THR H A 70 LEU HDy% 1.0 1.8 5.4 663 594 A 71 THR H A 70 LEU HBx 1.0 1.8 4.4 664 595 A 71 THR H A 70 LEU H 1.0 1.8 4.4 665 596 A 70 LEU H A 70 LEU HG 1.0 1.8 4.4 666 597 A 70 LEU H A 76 ALA HB% 1.0 1.8 5.8 667 598 A 70 LEU H A 70 LEU HDy% 1.0 1.8 5.9 668 598 A 70 LEU H A 70 LEU HDx% 1.0 1.8 5.9 669 599 A 70 LEU HA A 70 LEU H 1.0 1.8 3.6 670 600 A 70 LEU H A 70 LEU HBx 1.0 1.8 3.6 671 601 A 70 LEU H A 70 LEU HBy 1.0 1.8 3.6 672 602 A 70 LEU H A 72 ASN H 1.0 1.8 4.8 673 603 A 70 LEU H A 74 LYS H 1.0 1.8 4.8 674 604 A 70 LEU HDy% A 72 ASN HD2x 1.0 1.8 7.5 675 604 A 70 LEU HDx% A 72 ASN HD2x 1.0 1.8 7.5 676 604 A 72 ASN HD2y A 70 LEU HDy% 1.0 1.8 7.5 677 604 A 70 LEU HDx% A 72 ASN HD2y 1.0 1.8 7.5 678 605 A 70 LEU H A 73 GLY H 1.0 1.8 4.8 679 606 A 72 ASN H A 70 LEU HDy% 1.0 1.8 6.7 680 606 A 70 LEU HDx% A 72 ASN H 1.0 1.8 6.7 681 607 A 70 LEU HBy A 72 ASN H 1.0 1.8 4.4 682 608 A 71 THR H A 70 LEU HA 1.0 1.8 2.4 683 609 A 71 THR H A 70 LEU HDx% 1.0 1.8 5.4 684 610 A 70 LEU HG A 72 ASN HD2x 1.0 1.8 5.3 685 610 A 70 LEU HG A 72 ASN HD2y 1.0 1.8 5.3 686 611 A 71 THR H A 70 LEU HG 1.0 1.8 4.4 687 612 A 71 THR H A 70 LEU HBy 1.0 1.8 4.4 688 613 A 72 ASN H A 71 THR HB 1.0 1.8 4.4 689 614 A 71 THR H A 71 THR HB 1.0 1.8 4.4 690 615 A 71 THR H A 73 GLY H 1.0 1.8 4.8 691 616 A 71 THR HG2% A 73 GLY H 1.0 1.8 5.8 692 617 A 71 THR H A 72 ASN H 1.0 1.8 3.6 693 618 A 71 THR HG2% A 72 ASN H 1.0 1.8 5.4 694 619 A 72 ASN H A 71 THR HA 1.0 1.8 3.6 695 620 A 71 THR H A 71 THR HG2% 1.0 1.8 3.8 696 621 A 71 THR H A 71 THR HA 1.0 1.8 3.6 697 622 A 73 GLY H A 72 ASN HA 1.0 1.8 4.4 698 623 A 74 LYS H A 72 ASN H 1.0 1.8 4.4 699 624 A 74 LYS H A 72 ASN HD2x 1.0 1.8 5.7 700 624 A 74 LYS H A 72 ASN HD2y 1.0 1.8 5.7 701 625 A 74 LYS H A 72 ASN HBx 1.0 1.8 4.8 702 626 A 72 ASN HA A 72 ASN HD2x 1.0 1.8 5.3 703 626 A 72 ASN HD2y A 72 ASN HA 1.0 1.8 5.3 704 627 A 72 ASN HD2y A 74 LYS HGx 1.0 1.8 6.1 705 627 A 74 LYS HGy A 72 ASN HD2x 1.0 1.8 6.1 706 627 A 72 ASN HD2y A 74 LYS HGy 1.0 1.8 6.1 707 627 A 72 ASN HD2x A 74 LYS HGx 1.0 1.8 6.1 708 628 A 73 GLY H A 72 ASN HBy 1.0 1.8 4.8 709 629 A 73 GLY H A 72 ASN HBx 1.0 1.8 4.8 710 630 A 73 GLY H A 72 ASN H 1.0 1.8 2.8 711 631 A 72 ASN H A 72 ASN HD2x 1.0 1.8 5.7 712 631 A 72 ASN H A 72 ASN HD2y 1.0 1.8 5.7 713 632 A 72 ASN H A 72 ASN HA 1.0 1.8 3.6 714 633 A 72 ASN H A 72 ASN HBy 1.0 1.8 3.6 715 634 A 72 ASN H A 72 ASN HBx 1.0 1.8 4.4 716 635 A 72 ASN HD2y A 74 LYS HBx 1.0 1.8 6.1 717 635 A 72 ASN HD2x A 74 LYS HBx 1.0 1.8 6.1 718 635 A 74 LYS HBy A 72 ASN HD2x 1.0 1.8 6.1 719 635 A 72 ASN HD2y A 74 LYS HBy 1.0 1.8 6.1 720 636 A 72 ASN HBy A 72 ASN HD2x 1.0 1.8 4.5 721 636 A 72 ASN HD2y A 72 ASN HBy 1.0 1.8 4.5 722 637 A 72 ASN HBx A 72 ASN HD2x 1.0 1.8 4.5 723 637 A 72 ASN HD2y A 72 ASN HBx 1.0 1.8 4.5 724 638 A 74 LYS H A 73 GLY HAy 1.0 1.8 4.4 725 639 A 74 LYS H A 73 GLY HAx 1.0 1.8 4.4 726 640 A 73 GLY H A 74 LYS HGy 1.0 1.8 4.8 727 641 A 74 LYS H A 73 GLY H 1.0 1.8 2.8 728 642 A 73 GLY H A 74 LYS HA 1.0 1.8 4.8 729 643 A 73 GLY H A 73 GLY HAy 1.0 1.8 3.6 730 644 A 73 GLY H A 73 GLY HAx 1.0 1.8 3.6 731 645 A 75 GLN H A 74 LYS HDx 1.0 1.8 5.3 732 645 A 75 GLN H A 74 LYS HDy 1.0 1.8 5.3 733 646 A 75 GLN H A 74 LYS HGx 1.0 1.8 5.3 734 646 A 75 GLN H A 74 LYS HGy 1.0 1.8 5.3 735 647 A 74 LYS H A 74 LYS HBy 1.0 1.8 3.6 736 648 A 75 GLN H A 74 LYS HBx 1.0 1.8 3.7 737 648 A 75 GLN H A 74 LYS HBy 1.0 1.8 3.7 738 649 A 75 GLN H A 74 LYS HA 1.0 1.8 2.2 739 650 A 74 LYS H A 74 LYS HGy 1.0 1.8 3.6 740 651 A 74 LYS H A 74 LYS HDy 1.0 1.8 4.4 741 652 A 74 LYS H A 74 LYS HA 1.0 1.8 3.6 742 653 A 75 GLN H A 74 LYS H 1.0 1.8 4.4 743 654 A 74 LYS H A 74 LYS HEx 1.0 1.8 5.7 744 654 A 74 LYS H A 74 LYS HEy 1.0 1.8 5.7 745 655 A 76 ALA H A 75 GLN HBy 1.0 1.8 4.5 746 655 A 76 ALA H A 75 GLN HBx 1.0 1.8 4.5 747 656 A 76 ALA H A 75 GLN HGy 1.0 1.8 4.5 748 656 A 76 ALA H A 75 GLN HGx 1.0 1.8 4.5 749 657 A 76 ALA H A 75 GLN HA 1.0 1.8 2.8 750 658 A 75 GLN H A 75 GLN HGy 1.0 1.8 5.3 751 658 A 75 GLN H A 75 GLN HGx 1.0 1.8 5.3 752 659 A 75 GLN H A 75 GLN HA 1.0 1.8 3.6 753 660 A 75 GLN H A 75 GLN HBx 1.0 1.8 2.8 754 661 A 75 GLN HA A 75 GLN HE2x 1.0 1.8 5.7 755 661 A 75 GLN HA A 75 GLN HE2y 1.0 1.8 5.7 756 662 A 76 ALA H A 75 GLN H 1.0 1.8 4.4 757 663 A 75 GLN HE2x A 75 GLN HGy 1.0 1.8 6.1 758 663 A 75 GLN HE2y A 75 GLN HGy 1.0 1.8 6.1 759 663 A 75 GLN HGx A 75 GLN HE2x 1.0 1.8 6.1 760 663 A 75 GLN HGx A 75 GLN HE2y 1.0 1.8 6.1 761 664 A 76 ALA H A 76 ALA HB% 1.0 1.8 3.8 762 665 A 79 TRP HE1 A 77 PRO HGy 1.0 1.8 4.8 763 666 A 79 TRP HE1 A 77 PRO HGx 1.0 1.8 4.8 764 667 A 80 LEU H A 77 PRO HGy 1.0 1.8 5.3 765 667 A 80 LEU H A 77 PRO HGx 1.0 1.8 5.3 766 668 A 80 LEU H A 77 PRO HBx 1.0 1.8 4.8 767 669 A 79 TRP HE1 A 77 PRO HBy 1.0 1.8 4.4 768 670 A 79 TRP HE1 A 77 PRO HBx 1.0 1.8 3.6 769 671 A 80 LEU H A 77 PRO HBy 1.0 1.8 4.4 770 672 A 77 PRO HBy A 79 TRP H 1.0 1.8 3.6 771 673 A 77 PRO HBx A 79 TRP H 1.0 1.8 4.4 772 674 A 77 PRO HBy A 78 ASP H 1.0 1.8 4.4 773 675 A 77 PRO HBx A 78 ASP H 1.0 1.8 3.6 774 676 A 79 TRP H A 78 ASP HA 1.0 1.8 3.6 775 677 A 80 LEU H A 78 ASP H 1.0 1.8 4.8 776 678 A 78 ASP H A 78 ASP HA 1.0 1.8 2.8 777 679 A 80 LEU H A 78 ASP HA 1.0 1.8 4.4 778 680 A 79 TRP H A 78 ASP HBy 1.0 1.8 5.3 779 680 A 79 TRP H A 78 ASP HBx 1.0 1.8 5.3 780 681 A 79 TRP H A 78 ASP H 1.0 1.8 3.6 781 682 A 78 ASP H A 78 ASP HBy 1.0 1.8 3.6 782 683 A 80 LEU H A 79 TRP HD1 1.0 1.8 4.8 783 684 A 81 ALA H A 79 TRP HE3 1.0 1.8 4.8 784 685 A 79 TRP HE3 A 80 LEU H 1.0 1.8 4.4 785 686 A 80 LEU H A 79 TRP HBy 1.0 1.8 4.8 786 687 A 80 LEU H A 79 TRP HBx 1.0 1.8 4.8 787 688 A 80 LEU H A 79 TRP HA 1.0 1.8 4.4 788 689 A 79 TRP HE1 A 79 TRP H 1.0 1.8 4.4 789 690 A 79 TRP H A 79 TRP HD1 1.0 1.8 3.6 790 691 A 80 LEU H A 79 TRP H 1.0 1.8 2.8 791 692 A 79 TRP H A 79 TRP HBy 1.0 1.8 3.6 792 693 A 79 TRP HBx A 79 TRP H 1.0 1.8 4.4 793 694 A 79 TRP HA A 79 TRP H 1.0 1.8 3.6 794 695 A 81 ALA H A 80 LEU HA 1.0 1.8 2.2 795 696 A 81 ALA H A 80 LEU HG 1.0 1.8 4.4 796 697 A 80 LEU H A 80 LEU HG 1.0 1.8 4.4 797 698 A 81 ALA H A 80 LEU HBy 1.0 1.8 4.4 798 699 A 81 ALA H A 80 LEU HDx% 1.0 1.8 4.6 799 700 A 81 ALA H A 80 LEU HBx 1.0 1.8 4.8 800 701 A 80 LEU H A 80 LEU HBx 1.0 1.8 3.6 801 702 A 80 LEU H A 80 LEU HDx% 1.0 1.8 5.4 802 703 A 80 LEU H A 80 LEU HBy 1.0 1.8 3.6 803 704 A 80 LEU H A 80 LEU HA 1.0 1.8 3.6 804 705 A 81 ALA H A 80 LEU H 1.0 1.8 4.4 805 706 A 81 ALA HB% A 82 ALA H 1.0 1.8 4.6 806 707 A 82 ALA H A 81 ALA HA 1.0 1.8 2.2 807 708 A 81 ALA H A 82 ALA H 1.0 1.8 4.4 808 709 A 83 GLU H A 81 ALA HB% 1.0 1.8 5.8 809 710 A 81 ALA H A 81 ALA HA 1.0 1.8 3.6 810 711 A 81 ALA H A 81 ALA HB% 1.0 1.8 4.6 811 712 A 82 ALA HB% A 82 ALA H 1.0 1.8 4.6 812 713 A 82 ALA HA A 82 ALA H 1.0 1.8 3.6 813 714 A 83 GLU H A 82 ALA HA 1.0 1.8 2.2 814 715 A 83 GLU H A 82 ALA HB% 1.0 1.8 4.6 815 716 A 83 GLU H A 82 ALA H 1.0 1.8 4.4 816 717 A 83 GLU H A 84 PRO HDx 1.0 1.8 4.8 817 718 A 83 GLU H A 84 PRO HDy 1.0 1.8 4.8 818 719 A 83 GLU H A 83 GLU HBy 1.0 1.8 4.4 819 720 A 83 GLU H A 83 GLU HBx 1.0 1.8 4.4 820 721 A 83 GLU H A 83 GLU HGy 1.0 1.8 4.4 821 722 A 83 GLU H A 83 GLU HA 1.0 1.8 3.6 822 723 A 85 TYR H A 84 PRO HA 1.0 1.8 2.2 823 724 A 85 TYR H A 84 PRO HGy 1.0 1.8 5.7 824 724 A 85 TYR H A 84 PRO HGx 1.0 1.8 5.7 825 725 A 85 TYR H A 84 PRO HBx 1.0 1.8 4.4 826 726 A 85 TYR H A 84 PRO HBy 1.0 1.8 4.4 827 727 A 85 TYR H A 85 TYR HA 1.0 1.8 3.6 828 728 A 85 TYR H A 85 TYR HBx 1.0 1.8 4.4 829 729 A 85 TYR H A 85 TYR HBy 1.0 1.8 3.6 830 730 A 13 TYR HBx A 13 TYR HE% 1.0 1.8 6.9 831 731 A 15 GLN HBy A 15 GLN HA 1.0 1.8 3.6 832 732 A 20 ALA HA A 21 PRO HDx 1.0 1.8 3.6 833 733 A 20 ALA HA A 21 PRO HDy 1.0 1.8 3.6 834 734 A 20 ALA HB% A 20 ALA HA 1.0 1.8 4.6 835 735 A 20 ALA HB% A 21 PRO HDx 1.0 1.8 6.3 836 735 A 20 ALA HB% A 21 PRO HDy 1.0 1.8 6.3 837 736 A 21 PRO HA A 21 PRO HGx 1.0 1.8 5.3 838 736 A 21 PRO HGy A 21 PRO HA 1.0 1.8 5.3 839 737 A 21 PRO HBy A 21 PRO HGx 1.0 1.8 5.4 840 737 A 21 PRO HBx A 21 PRO HGx 1.0 1.8 5.4 841 737 A 21 PRO HGy A 21 PRO HBy 1.0 1.8 5.4 842 737 A 21 PRO HBx A 21 PRO HGy 1.0 1.8 5.4 843 738 A 21 PRO HA A 21 PRO HBy 1.0 1.8 5.3 844 738 A 21 PRO HBx A 21 PRO HA 1.0 1.8 5.3 845 739 A 22 ALA HB% A 84 PRO HBx 1.0 1.8 5.4 846 740 A 22 ALA HB% A 84 PRO HA 1.0 1.8 5.4 847 741 A 22 ALA HA A 22 ALA HB% 1.0 1.8 4.6 848 742 A 23 ARG HA A 23 ARG HBy 1.0 1.8 4.4 849 743 A 85 TYR HBx A 24 SER HBy 1.0 1.8 4.8 850 744 A 24 SER HBy A 24 SER HBx 1.0 1.8 2.8 851 745 A 85 TYR HD% A 24 SER HBy 1.0 1.8 6.5 852 746 A 24 SER HA A 44 ILE HA 1.0 1.8 4.8 853 747 A 85 TYR HE% A 24 SER HBy 1.0 1.8 6.9 854 748 A 24 SER HBy A 41 TYR HD% 1.0 1.8 5.7 855 749 A 24 SER HA A 24 SER HBx 1.0 1.8 4.4 856 750 A 24 SER HBy A 41 TYR HE% 1.0 1.8 6.9 857 751 A 24 SER HA A 43 ARG HGy 1.0 1.8 5.7 858 751 A 24 SER HA A 43 ARG HGx 1.0 1.8 5.7 859 752 A 24 SER HBy A 85 TYR HBy 1.0 1.8 3.6 860 753 A 24 SER HA A 24 SER HBy 1.0 1.8 4.4 861 754 A 24 SER HA A 44 ILE HG1y 1.0 1.8 4.8 862 755 A 85 TYR HD% A 24 SER HBx 1.0 1.8 6.5 863 756 A 41 TYR HD% A 24 SER HBx 1.0 1.8 6.9 864 757 A 24 SER HA A 44 ILE HG1x 1.0 1.8 5.3 865 757 A 24 SER HA A 44 ILE HG1y 1.0 1.8 5.3 866 758 A 24 SER HBy A 26 VAL HGy% 1.0 1.8 8.0 867 758 A 24 SER HBx A 26 VAL HGy% 1.0 1.8 8.0 868 758 A 26 VAL HGx% A 24 SER HBx 1.0 1.8 8.0 869 758 A 26 VAL HGx% A 24 SER HBy 1.0 1.8 8.0 870 759 A 25 CYS H A 27 TYR HE% 1.0 1.8 6.5 871 760 A 27 TYR HD% A 25 CYS HBx 1.0 1.8 6.5 872 761 A 25 CYS HA A 27 TYR HE% 1.0 1.8 6.9 873 762 A 61 ALA HB% A 25 CYS HBy 1.0 1.8 5.4 874 763 A 25 CYS HBy A 27 TYR HE% 1.0 1.8 6.5 875 764 A 25 CYS HA A 25 CYS HBy 1.0 1.8 4.4 876 765 A 82 ALA HB% A 25 CYS HBx 1.0 1.8 6.3 877 765 A 82 ALA HB% A 25 CYS HBy 1.0 1.8 6.3 878 766 A 25 CYS HBy A 27 TYR HD% 1.0 1.8 6.9 879 767 A 27 TYR HE% A 25 CYS HBx 1.0 1.8 5.7 880 768 A 25 CYS H A 27 TYR HD% 1.0 1.8 6.9 881 769 A 25 CYS HBy A 25 CYS HBx 1.0 1.8 3.6 882 770 A 61 ALA HB% A 25 CYS HBx 1.0 1.8 5.4 883 771 A 25 CYS HA A 25 CYS HBx 1.0 1.8 4.4 884 772 A 26 VAL HA A 27 TYR HD% 1.0 1.8 6.5 885 773 A 26 VAL HGx% A 85 TYR HD% 1.0 1.8 7.9 886 774 A 28 TYR HE% A 26 VAL HGy% 1.0 1.8 8.0 887 775 A 83 GLU HGy A 26 VAL HGy% 1.0 1.8 5.4 888 776 A 85 TYR HBx A 26 VAL HGy% 1.0 1.8 4.6 889 777 A 26 VAL HB A 26 VAL HGx% 1.0 1.8 4.6 890 778 A 26 VAL HB A 26 VAL HGy% 1.0 1.8 4.6 891 779 A 85 TYR HA A 26 VAL HGy% 1.0 1.8 5.8 892 780 A 28 TYR HD% A 26 VAL HGy% 1.0 1.8 7.9 893 781 A 41 TYR HD% A 26 VAL HGy% 1.0 1.8 7.5 894 782 A 26 VAL HB A 85 TYR HBy 1.0 1.8 4.4 895 783 A 26 VAL HGx% A 38 LEU HG 1.0 1.8 5.4 896 784 A 26 VAL HB A 85 TYR HBx 1.0 1.8 4.4 897 785 A 26 VAL HGx% A 38 LEU HDy% 1.0 1.8 6.4 898 786 A 26 VAL HGx% A 41 TYR HD% 1.0 1.8 7.5 899 787 A 26 VAL HGx% A 85 TYR HBy 1.0 1.8 4.6 900 788 A 26 VAL HGx% A 26 VAL HGy% 1.0 1.8 5.6 901 789 A 41 TYR HA A 26 VAL HGy% 1.0 1.8 4.6 902 790 A 41 TYR HE% A 26 VAL HGy% 1.0 1.8 7.6 903 791 A 26 VAL HGx% A 85 TYR HBx 1.0 1.8 4.6 904 792 A 28 TYR HD% A 26 VAL HGy% 1.0 1.8 8.3 905 792 A 28 TYR HE% A 26 VAL HGy% 1.0 1.8 8.3 906 792 A 26 VAL HGx% A 28 TYR HE% 1.0 1.8 8.3 907 792 A 26 VAL HGx% A 28 TYR HD% 1.0 1.8 8.3 908 793 A 26 VAL HGx% A 83 GLU HGy 1.0 1.8 5.8 909 794 A 26 VAL HGx% A 41 TYR HE% 1.0 1.8 7.6 910 795 A 26 VAL HB A 41 TYR HE% 1.0 1.8 6.9 911 796 A 26 VAL HA A 41 TYR HA 1.0 1.8 4.4 912 797 A 26 VAL HGx% A 85 TYR HA 1.0 1.8 5.8 913 798 A 26 VAL HGx% A 41 TYR HA 1.0 1.8 4.6 914 799 A 26 VAL HA A 26 VAL HGx% 1.0 1.8 5.4 915 800 A 26 VAL HB A 41 TYR HD% 1.0 1.8 6.9 916 801 A 26 VAL HA A 26 VAL HGy% 1.0 1.8 5.4 917 802 A 26 VAL HGy% A 85 TYR HBy 1.0 1.8 4.6 918 803 A 85 TYR HD% A 26 VAL HGy% 1.0 1.8 7.5 919 804 A 27 TYR HE% A 59 VAL HGy% 1.0 1.8 6.8 920 805 A 68 VAL HA A 27 TYR HD% 1.0 1.8 6.9 921 806 A 42 VAL H A 27 TYR HE% 1.0 1.8 5.7 922 807 A 27 TYR HA A 28 TYR HD% 1.0 1.8 6.5 923 808 A 27 TYR HA A 27 TYR HD% 1.0 1.8 6.5 924 809 A 80 LEU HDx% A 27 TYR HBx 1.0 1.8 5.4 925 810 A 27 TYR HBx A 39 LEU HBy 1.0 1.8 4.8 926 811 A 82 ALA HB% A 27 TYR HD% 1.0 1.8 7.5 927 812 A 27 TYR HD% A 40 MET HBy 1.0 1.8 6.5 928 813 A 27 TYR HA A 27 TYR HE% 1.0 1.8 6.9 929 814 A 27 TYR HA A 81 ALA HB% 1.0 1.8 5.8 930 815 A 82 ALA HB% A 27 TYR HE% 1.0 1.8 8.0 931 816 A 82 ALA HA A 27 TYR HD% 1.0 1.8 6.9 932 817 A 28 TYR H A 27 TYR HD% 1.0 1.8 6.5 933 818 A 80 LEU HG A 27 TYR HD% 1.0 1.8 6.5 934 819 A 82 ALA HB% A 27 TYR HA 1.0 1.8 5.4 935 820 A 59 VAL HB A 27 TYR HE% 1.0 1.8 6.5 936 821 A 69 ILE H A 27 TYR HE% 1.0 1.8 6.5 937 822 A 42 VAL HA A 27 TYR HE% 1.0 1.8 6.5 938 823 A 42 VAL HB A 27 TYR HD% 1.0 1.8 6.5 939 824 A 27 TYR HD% A 39 LEU HDx% 1.0 1.8 7.5 940 825 A 27 TYR HD% A 59 VAL HGy% 1.0 1.8 7.5 941 826 A 27 TYR HE% A 27 TYR HBx 1.0 1.8 6.9 942 826 A 27 TYR HD% A 27 TYR HBx 1.0 1.8 6.9 943 826 A 27 TYR HBy A 27 TYR HE% 1.0 1.8 6.9 944 826 A 27 TYR HBy A 27 TYR HD% 1.0 1.8 6.9 945 827 A 68 VAL HA A 27 TYR HE% 1.0 1.8 5.7 946 828 A 82 ALA HA A 27 TYR HBx 1.0 1.8 5.7 947 828 A 82 ALA HA A 27 TYR HBy 1.0 1.8 5.7 948 829 A 39 LEU HBx A 27 TYR HBx 1.0 1.8 4.4 949 830 A 27 TYR HA A 27 TYR HBx 1.0 1.8 5.3 950 830 A 27 TYR HA A 27 TYR HBy 1.0 1.8 5.3 951 831 A 27 TYR HA A 39 LEU HDx% 1.0 1.8 5.8 952 832 A 42 VAL HB A 27 TYR HE% 1.0 1.8 5.7 953 833 A 59 VAL HGx% A 27 TYR HE% 1.0 1.8 6.8 954 834 A 82 ALA HA A 27 TYR HA 1.0 1.8 3.6 955 835 A 27 TYR HD% A 68 VAL HGy% 1.0 1.8 8.3 956 835 A 27 TYR HE% A 68 VAL HGy% 1.0 1.8 8.3 957 835 A 68 VAL HGx% A 27 TYR HE% 1.0 1.8 8.3 958 835 A 68 VAL HGx% A 27 TYR HD% 1.0 1.8 8.3 959 836 A 59 VAL HGx% A 27 TYR HD% 1.0 1.8 7.5 960 837 A 42 VAL H A 27 TYR HD% 1.0 1.8 6.5 961 838 A 39 LEU HDx% A 27 TYR HBx 1.0 1.8 5.4 962 839 A 27 TYR HD% A 80 LEU HDy% 1.0 1.8 9.5 963 839 A 27 TYR HE% A 80 LEU HDy% 1.0 1.8 9.5 964 839 A 27 TYR HE% A 80 LEU HDx% 1.0 1.8 9.5 965 839 A 27 TYR HD% A 80 LEU HDx% 1.0 1.8 9.5 966 840 A 61 ALA HB% A 27 TYR HE% 1.0 1.8 6.8 967 841 A 27 TYR HE% A 42 VAL HGy% 1.0 1.8 8.3 968 841 A 27 TYR HD% A 42 VAL HGy% 1.0 1.8 8.3 969 841 A 42 VAL HGx% A 27 TYR HE% 1.0 1.8 8.3 970 841 A 42 VAL HGx% A 27 TYR HD% 1.0 1.8 8.3 971 842 A 81 ALA HB% A 28 TYR HBy 1.0 1.8 5.4 972 843 A 83 GLU HGy A 28 TYR HE% 1.0 1.8 6.5 973 844 A 28 TYR HD% A 28 TYR HBx 1.0 1.8 5.7 974 845 A 28 TYR HE% A 28 TYR HBx 1.0 1.8 6.5 975 846 A 39 LEU H A 28 TYR HE% 1.0 1.8 6.9 976 847 A 38 LEU HDx% A 28 TYR HE% 1.0 1.8 6.8 977 848 A 38 LEU H A 28 TYR HD% 1.0 1.8 6.9 978 849 A 28 TYR HD% A 38 LEU HBy 1.0 1.8 6.5 979 850 A 38 LEU HA A 28 TYR HE% 1.0 1.8 6.5 980 851 A 28 TYR HE% A 39 LEU HDy% 1.0 1.8 9.0 981 851 A 28 TYR HD% A 39 LEU HDy% 1.0 1.8 9.0 982 851 A 28 TYR HE% A 39 LEU HDx% 1.0 1.8 9.0 983 851 A 28 TYR HD% A 39 LEU HDx% 1.0 1.8 9.0 984 852 A 38 LEU HG A 28 TYR HD% 1.0 1.8 6.5 985 853 A 29 ASP H A 28 TYR HD% 1.0 1.8 6.5 986 854 A 28 TYR HA A 38 LEU HA 1.0 1.8 4.4 987 855 A 28 TYR HBy A 28 TYR HBx 1.0 1.8 3.6 988 856 A 36 ARG HGx A 28 TYR HD% 1.0 1.8 6.9 989 857 A 36 ARG HGy A 28 TYR HD% 1.0 1.8 6.5 990 858 A 38 LEU HA A 28 TYR HD% 1.0 1.8 5.7 991 859 A 37 VAL H A 28 TYR HE% 1.0 1.8 6.5 992 860 A 28 TYR HE% A 38 LEU HBy 1.0 1.8 5.7 993 861 A 83 GLU HBx A 28 TYR HD% 1.0 1.8 6.9 994 862 A 28 TYR HA A 39 LEU HBx 1.0 1.8 4.8 995 863 A 38 LEU HDx% A 28 TYR HD% 1.0 1.8 7.5 996 864 A 28 TYR HD% A 36 ARG HBy 1.0 1.8 7.7 997 864 A 28 TYR HE% A 36 ARG HBy 1.0 1.8 7.7 998 864 A 28 TYR HE% A 36 ARG HBx 1.0 1.8 7.7 999 864 A 28 TYR HD% A 36 ARG HBx 1.0 1.8 7.7 1000 865 A 28 TYR HA A 28 TYR HBx 1.0 1.8 4.4 1001 866 A 83 GLU HBx A 28 TYR HE% 1.0 1.8 6.5 1002 867 A 38 LEU HG A 28 TYR HE% 1.0 1.8 6.9 1003 868 A 28 TYR HA A 39 LEU HG 1.0 1.8 4.4 1004 869 A 38 LEU HDy% A 28 TYR HE% 1.0 1.8 8.0 1005 870 A 83 GLU HGy A 28 TYR HD% 1.0 1.8 6.9 1006 871 A 82 ALA HA A 28 TYR HD% 1.0 1.8 6.5 1007 872 A 28 TYR HBy A 28 TYR HD% 1.0 1.8 5.7 1008 873 A 28 TYR HBx A 36 ARG HBy 1.0 1.8 4.8 1009 874 A 82 ALA HA A 28 TYR HE% 1.0 1.8 6.5 1010 875 A 28 TYR HA A 39 LEU HDy% 1.0 1.8 5.4 1011 876 A 28 TYR HA A 28 TYR HBy 1.0 1.8 4.4 1012 877 A 28 TYR HBy A 28 TYR HE% 1.0 1.8 6.5 1013 878 A 83 GLU HBy A 28 TYR HE% 1.0 1.8 6.5 1014 879 A 39 LEU H A 28 TYR HD% 1.0 1.8 6.5 1015 880 A 28 TYR HBy A 36 ARG HBx 1.0 1.8 4.4 1016 881 A 81 ALA HB% A 28 TYR HBx 1.0 1.8 5.4 1017 882 A 36 ARG HBx A 28 TYR HBx 1.0 1.8 3.6 1018 883 A 38 LEU HDy% A 28 TYR HD% 1.0 1.8 7.9 1019 884 A 37 VAL H A 28 TYR HD% 1.0 1.8 6.5 1020 885 A 37 VAL HA A 28 TYR HD% 1.0 1.8 6.9 1021 886 A 28 TYR HA A 28 TYR HD% 1.0 1.8 6.5 1022 887 A 36 ARG HGy A 28 TYR HE% 1.0 1.8 6.9 1023 888 A 28 TYR HA A 28 TYR HE% 1.0 1.8 6.9 1024 889 A 83 GLU HBy A 28 TYR HD% 1.0 1.8 6.9 1025 890 A 36 ARG HGx A 28 TYR HE% 1.0 1.8 6.9 1026 891 A 37 VAL HGx% A 29 ASP HBy 1.0 1.8 5.4 1027 892 A 29 ASP HA A 79 TRP HE3 1.0 1.8 3.6 1028 893 A 29 ASP HBx A 29 ASP HA 1.0 1.8 4.4 1029 894 A 29 ASP HBx A 79 TRP HE3 1.0 1.8 4.8 1030 895 A 79 TRP HE3 A 29 ASP HBy 1.0 1.8 4.4 1031 896 A 39 LEU HDx% A 29 ASP HBy 1.0 1.8 4.6 1032 897 A 29 ASP HA A 29 ASP HBy 1.0 1.8 4.4 1033 898 A 37 VAL HB A 29 ASP HA 1.0 1.8 4.8 1034 899 A 29 ASP HA A 80 LEU HDx% 1.0 1.8 5.4 1035 900 A 37 VAL HB A 29 ASP HBx 1.0 1.8 4.4 1036 901 A 29 ASP HBx A 37 VAL HGy% 1.0 1.8 5.4 1037 902 A 29 ASP HBx A 39 LEU HDx% 1.0 1.8 5.4 1038 903 A 37 VAL HGx% A 29 ASP HBx 1.0 1.8 5.4 1039 904 A 79 TRP HZ3 A 29 ASP HBy 1.0 1.8 5.3 1040 904 A 29 ASP HBx A 79 TRP HZ3 1.0 1.8 5.3 1041 905 A 29 ASP HA A 79 TRP HZ3 1.0 1.8 4.4 1042 906 A 29 ASP HA A 39 LEU HDx% 1.0 1.8 5.8 1043 907 A 29 ASP HBx A 29 ASP HBy 1.0 1.8 3.6 1044 908 A 30 GLY H A 79 TRP HE3 1.0 1.8 3.6 1045 909 A 31 HIS HBy A 31 HIS HD2 1.0 1.8 4.4 1046 910 A 31 HIS HBy A 31 HIS HBx 1.0 1.8 3.6 1047 911 A 31 HIS HBx A 31 HIS HD2 1.0 1.8 4.4 1048 912 A 31 HIS HA A 31 HIS HBx 1.0 1.8 3.6 1049 913 A 31 HIS HA A 31 HIS HBy 1.0 1.8 4.8 1050 914 A 34 ALA HB% A 32 LEU HDy% 1.0 1.8 6.8 1051 915 A 32 LEU HBy A 32 LEU HDy% 1.0 1.8 4.6 1052 916 A 32 LEU HDx% A 32 LEU HG 1.0 1.8 4.6 1053 917 A 32 LEU HDx% A 32 LEU HBy 1.0 1.8 4.6 1054 918 A 32 LEU HG A 32 LEU HDy% 1.0 1.8 4.6 1055 919 A 32 LEU HDx% A 33 PRO HDx 1.0 1.8 5.4 1056 920 A 33 PRO HDx A 32 LEU HDy% 1.0 1.8 5.4 1057 921 A 33 PRO HA A 33 PRO HGy 1.0 1.8 4.4 1058 922 A 33 PRO HGx A 33 PRO HBx 1.0 1.8 3.6 1059 923 A 33 PRO HDy A 33 PRO HBx 1.0 1.8 4.4 1060 924 A 33 PRO HDy A 33 PRO HBy 1.0 1.8 4.4 1061 925 A 33 PRO HGx A 33 PRO HA 1.0 1.8 4.4 1062 926 A 33 PRO HA A 33 PRO HBx 1.0 1.8 4.4 1063 927 A 33 PRO HGx A 33 PRO HDy 1.0 1.8 4.4 1064 928 A 33 PRO HGy A 33 PRO HBx 1.0 1.8 3.6 1065 929 A 33 PRO HDx A 33 PRO HDy 1.0 1.8 3.6 1066 930 A 33 PRO HDx A 33 PRO HBx 1.0 1.8 4.8 1067 931 A 33 PRO HDx A 33 PRO HGy 1.0 1.8 4.4 1068 932 A 33 PRO HDx A 33 PRO HBy 1.0 1.8 4.4 1069 933 A 33 PRO HDx A 33 PRO HGx 1.0 1.8 4.8 1070 934 A 33 PRO HA A 33 PRO HBy 1.0 1.8 4.4 1071 935 A 33 PRO HGy A 33 PRO HDy 1.0 1.8 3.6 1072 936 A 33 PRO HGy A 33 PRO HBy 1.0 1.8 3.6 1073 937 A 35 THR HG2% A 34 ALA HB% 1.0 1.8 5.6 1074 938 A 34 ALA HA A 34 ALA HB% 1.0 1.8 3.8 1075 939 A 35 THR HG2% A 35 THR HB 1.0 1.8 3.4 1076 940 A 36 ARG HGx A 36 ARG HBx 1.0 1.8 4.4 1077 941 A 36 ARG HGx A 36 ARG HBy 1.0 1.8 4.4 1078 942 A 36 ARG HDy A 36 ARG HGy 1.0 1.8 4.4 1079 943 A 36 ARG HGx A 36 ARG HDy 1.0 1.8 4.4 1080 944 A 37 VAL HB A 37 VAL HGy% 1.0 1.8 4.6 1081 945 A 37 VAL HGx% A 37 VAL HB 1.0 1.8 4.6 1082 946 A 37 VAL HGx% A 37 VAL HA 1.0 1.8 4.6 1083 947 A 37 VAL HB A 37 VAL HA 1.0 1.8 3.6 1084 948 A 37 VAL HA A 37 VAL HGy% 1.0 1.8 4.6 1085 949 A 38 LEU HG A 38 LEU HBy 1.0 1.8 4.4 1086 950 A 38 LEU HDy% A 40 MET HA 1.0 1.8 5.8 1087 951 A 38 LEU HDx% A 38 LEU HBx 1.0 1.8 4.6 1088 952 A 38 LEU HDx% A 41 TYR HD% 1.0 1.8 7.5 1089 953 A 38 LEU HA A 38 LEU HDx% 1.0 1.8 4.6 1090 954 A 38 LEU HDx% A 38 LEU HBy 1.0 1.8 4.6 1091 955 A 38 LEU HDy% A 38 LEU HBy 1.0 1.8 4.6 1092 956 A 38 LEU HDy% A 38 LEU HG 1.0 1.8 4.6 1093 957 A 38 LEU HDx% A 41 TYR HE% 1.0 1.8 6.8 1094 958 A 38 LEU HDy% A 41 TYR HE% 1.0 1.8 6.8 1095 959 A 38 LEU HA A 38 LEU HBy 1.0 1.8 3.6 1096 960 A 38 LEU HA A 38 LEU HBx 1.0 1.8 4.4 1097 961 A 38 LEU HA A 38 LEU HG 1.0 1.8 4.4 1098 962 A 38 LEU HA A 38 LEU HBx 1.0 1.8 4.5 1099 962 A 38 LEU HA A 38 LEU HBy 1.0 1.8 4.5 1100 963 A 38 LEU HA A 38 LEU HDy% 1.0 1.8 5.4 1101 964 A 38 LEU HDy% A 38 LEU HBx 1.0 1.8 4.6 1102 965 A 38 LEU HDy% A 41 TYR HD% 1.0 1.8 7.5 1103 966 A 38 LEU HDx% A 38 LEU HG 1.0 1.8 4.6 1104 967 A 39 LEU HBy A 39 LEU HDy% 1.0 1.8 4.6 1105 968 A 39 LEU HDx% A 39 LEU HBy 1.0 1.8 4.6 1106 969 A 39 LEU HDx% A 39 LEU HBx 1.0 1.8 4.6 1107 970 A 52 ALA HB% A 39 LEU HDy% 1.0 1.8 5.6 1108 971 A 39 LEU HG A 39 LEU HDy% 1.0 1.8 4.6 1109 972 A 39 LEU HG A 39 LEU HBx 1.0 1.8 4.4 1110 973 A 79 TRP HH2 A 39 LEU HDy% 1.0 1.8 7.0 1111 973 A 39 LEU HDx% A 79 TRP HH2 1.0 1.8 7.0 1112 974 A 39 LEU HBx A 39 LEU HDy% 1.0 1.8 5.4 1113 975 A 52 ALA HB% A 39 LEU HDx% 1.0 1.8 5.6 1114 976 A 39 LEU HG A 39 LEU HDx% 1.0 1.8 4.6 1115 977 A 79 TRP HZ3 A 39 LEU HDy% 1.0 1.8 6.6 1116 977 A 39 LEU HDx% A 79 TRP HZ3 1.0 1.8 6.6 1117 978 A 79 TRP HE3 A 39 LEU HDy% 1.0 1.8 7.0 1118 978 A 79 TRP HE3 A 39 LEU HDx% 1.0 1.8 7.0 1119 979 A 39 LEU HG A 39 LEU HBy 1.0 1.8 5.3 1120 979 A 39 LEU HG A 39 LEU HBx 1.0 1.8 5.3 1121 980 A 50 ILE HD1% A 39 LEU HDy% 1.0 1.8 6.9 1122 980 A 50 ILE HD1% A 39 LEU HDx% 1.0 1.8 6.9 1123 981 A 40 MET HA A 40 MET HBx 1.0 1.8 3.6 1124 982 A 40 MET HA A 40 MET HGy 1.0 1.8 3.6 1125 983 A 40 MET HBy A 42 VAL HGy% 1.0 1.8 5.8 1126 984 A 40 MET HBx A 40 MET HBy 1.0 1.8 3.6 1127 985 A 50 ILE HG2% A 40 MET HE% 1.0 1.8 6.4 1128 986 A 50 ILE HD1% A 40 MET HBy 1.0 1.8 6.7 1129 986 A 50 ILE HD1% A 40 MET HBx 1.0 1.8 6.7 1130 987 A 50 ILE HD1% A 40 MET HBy 1.0 1.8 5.8 1131 988 A 50 ILE HG2% A 40 MET HGy 1.0 1.8 6.7 1132 988 A 50 ILE HG2% A 40 MET HGx 1.0 1.8 6.7 1133 989 A 40 MET HA A 41 TYR HD% 1.0 1.8 6.5 1134 990 A 40 MET HBx A 40 MET HGy 1.0 1.8 4.4 1135 991 A 40 MET HE% A 42 VAL HGy% 1.0 1.8 7.7 1136 991 A 42 VAL HGx% A 40 MET HE% 1.0 1.8 7.7 1137 992 A 48 ALA HB% A 40 MET HGy 1.0 1.8 6.3 1138 992 A 48 ALA HB% A 40 MET HGx 1.0 1.8 6.3 1139 993 A 50 ILE HD1% A 40 MET HGy 1.0 1.8 6.7 1140 993 A 50 ILE HD1% A 40 MET HGx 1.0 1.8 6.7 1141 994 A 40 MET HGy A 42 VAL HGy% 1.0 1.8 7.6 1142 994 A 42 VAL HGx% A 40 MET HGy 1.0 1.8 7.6 1143 994 A 42 VAL HGx% A 40 MET HGx 1.0 1.8 7.6 1144 994 A 40 MET HGx A 42 VAL HGy% 1.0 1.8 7.6 1145 995 A 40 MET HA A 41 TYR HE% 1.0 1.8 6.9 1146 996 A 48 ALA HB% A 40 MET HE% 1.0 1.8 5.6 1147 997 A 85 TYR HD% A 41 TYR HE% 1.0 1.8 8.7 1148 998 A 41 TYR HBy A 41 TYR HD% 1.0 1.8 5.7 1149 999 A 41 TYR HBx A 41 TYR HD% 1.0 1.8 5.7 1150 1000 A 41 TYR HA A 41 TYR HD% 1.0 1.8 6.5 1151 1001 A 41 TYR HA A 41 TYR HBx 1.0 1.8 3.6 1152 1002 A 41 TYR HD% A 85 TYR HBy 1.0 1.8 7.7 1153 1002 A 41 TYR HE% A 85 TYR HBy 1.0 1.8 7.7 1154 1002 A 85 TYR HBx A 41 TYR HE% 1.0 1.8 7.7 1155 1002 A 85 TYR HBx A 41 TYR HD% 1.0 1.8 7.7 1156 1003 A 41 TYR HBy A 41 TYR HE% 1.0 1.8 6.5 1157 1004 A 41 TYR HBx A 41 TYR HE% 1.0 1.8 6.5 1158 1005 A 42 VAL HGx% A 61 ALA HB% 1.0 1.8 5.6 1159 1006 A 42 VAL HA A 42 VAL HGx% 1.0 1.8 4.6 1160 1007 A 42 VAL HA A 42 VAL HGy% 1.0 1.8 4.6 1161 1008 A 42 VAL HGx% A 46 ASN HBx 1.0 1.8 4.6 1162 1009 A 42 VAL HB A 42 VAL HGy% 1.0 1.8 4.6 1163 1010 A 42 VAL HGx% A 42 VAL HB 1.0 1.8 4.6 1164 1011 A 42 VAL HGx% A 46 ASN HBy 1.0 1.8 5.4 1165 1012 A 61 ALA HB% A 42 VAL HGy% 1.0 1.8 6.4 1166 1013 A 48 ALA HB% A 42 VAL HGy% 1.0 1.8 5.6 1167 1014 A 42 VAL HGx% A 47 THR HA 1.0 1.8 5.4 1168 1015 A 42 VAL HGx% A 46 ASN HA 1.0 1.8 5.8 1169 1016 A 42 VAL HGy% A 59 VAL HGy% 1.0 1.8 9.0 1170 1016 A 42 VAL HGx% A 59 VAL HGy% 1.0 1.8 9.0 1171 1016 A 59 VAL HGx% A 42 VAL HGy% 1.0 1.8 9.0 1172 1016 A 42 VAL HGx% A 59 VAL HGx% 1.0 1.8 9.0 1173 1017 A 42 VAL HGx% A 42 VAL HGy% 1.0 1.8 4.8 1174 1018 A 42 VAL HGx% A 48 ALA HB% 1.0 1.8 5.6 1175 1019 A 42 VAL HA A 42 VAL HB 1.0 1.8 4.4 1176 1020 A 43 ARG HBx A 46 ASN HBx 1.0 1.8 6.2 1177 1020 A 43 ARG HBy A 46 ASN HBx 1.0 1.8 6.2 1178 1020 A 46 ASN HBy A 43 ARG HBx 1.0 1.8 6.2 1179 1020 A 43 ARG HBy A 46 ASN HBy 1.0 1.8 6.2 1180 1021 A 43 ARG HA A 43 ARG HGy 1.0 1.8 5.3 1181 1021 A 43 ARG HA A 43 ARG HGx 1.0 1.8 5.3 1182 1022 A 43 ARG HA A 43 ARG HBx 1.0 1.8 5.3 1183 1022 A 43 ARG HA A 43 ARG HBy 1.0 1.8 5.3 1184 1023 A 43 ARG HBx A 43 ARG HDy 1.0 1.8 5.4 1185 1023 A 43 ARG HBy A 43 ARG HDy 1.0 1.8 5.4 1186 1023 A 43 ARG HDx A 43 ARG HBx 1.0 1.8 5.4 1187 1023 A 43 ARG HBy A 43 ARG HDx 1.0 1.8 5.4 1188 1024 A 43 ARG HA A 43 ARG HDy 1.0 1.8 5.3 1189 1024 A 43 ARG HA A 43 ARG HDx 1.0 1.8 5.3 1190 1025 A 44 ILE HD1% A 44 ILE HG1x 1.0 1.8 4.6 1191 1026 A 44 ILE HG2% A 63 ASP HA 1.0 1.8 3.8 1192 1027 A 44 ILE HD1% A 44 ILE HB 1.0 1.8 4.6 1193 1028 A 44 ILE HD1% A 63 ASP HA 1.0 1.8 5.4 1194 1029 A 44 ILE HD1% A 64 GLN HBx 1.0 1.8 5.4 1195 1030 A 44 ILE HD1% A 64 GLN HBy 1.0 1.8 5.4 1196 1031 A 44 ILE HG2% A 63 ASP HBy 1.0 1.8 6.3 1197 1031 A 44 ILE HG2% A 63 ASP HBx 1.0 1.8 6.3 1198 1032 A 44 ILE HD1% A 44 ILE HA 1.0 1.8 5.4 1199 1033 A 44 ILE HB A 44 ILE HA 1.0 1.8 3.6 1200 1034 A 44 ILE HG2% A 44 ILE HA 1.0 1.8 4.6 1201 1035 A 44 ILE HA A 44 ILE HG1y 1.0 1.8 3.6 1202 1036 A 44 ILE HD1% A 84 PRO HBy 1.0 1.8 5.8 1203 1037 A 44 ILE HD1% A 84 PRO HA 1.0 1.8 5.8 1204 1038 A 44 ILE HD1% A 64 GLN HA 1.0 1.8 4.6 1205 1039 A 44 ILE HG2% A 64 GLN HA 1.0 1.8 5.4 1206 1040 A 44 ILE HD1% A 64 GLN HGx 1.0 1.8 6.7 1207 1040 A 44 ILE HD1% A 64 GLN HGy 1.0 1.8 6.7 1208 1041 A 46 ASN HA A 46 ASN HBx 1.0 1.8 2.8 1209 1042 A 46 ASN HA A 46 ASN HBy 1.0 1.8 3.6 1210 1043 A 47 THR HG2% A 60 GLU HBy 1.0 1.8 5.4 1211 1044 A 47 THR HA A 60 GLU HBy 1.0 1.8 4.8 1212 1045 A 47 THR HA A 47 THR HB 1.0 1.8 3.6 1213 1046 A 47 THR HG2% A 47 THR HA 1.0 1.8 4.6 1214 1047 A 47 THR HA A 60 GLU HA 1.0 1.8 4.4 1215 1048 A 47 THR HB A 59 VAL HGy% 1.0 1.8 5.8 1216 1049 A 47 THR HG2% A 47 THR HB 1.0 1.8 4.6 1217 1050 A 47 THR HB A 58 GLU HGx 1.0 1.8 5.3 1218 1050 A 47 THR HB A 58 GLU HGy 1.0 1.8 5.3 1219 1051 A 48 ALA HB% A 48 ALA HA 1.0 1.8 4.6 1220 1052 A 49 THR HB A 49 THR HA 1.0 1.8 4.4 1221 1053 A 49 THR HG2% A 49 THR HA 1.0 1.8 4.6 1222 1054 A 49 THR HG2% A 56 GLU HA 1.0 1.8 5.4 1223 1055 A 58 GLU HA A 49 THR HA 1.0 1.8 3.6 1224 1056 A 49 THR HG2% A 56 GLU HGy 1.0 1.8 5.4 1225 1057 A 49 THR HG2% A 49 THR HB 1.0 1.8 3.8 1226 1058 A 50 ILE HG2% A 50 ILE HG1x 1.0 1.8 4.6 1227 1059 A 50 ILE HG1x A 50 ILE HG1y 1.0 1.8 3.6 1228 1060 A 50 ILE HG1x A 50 ILE HD1% 1.0 1.8 4.6 1229 1061 A 50 ILE HG2% A 50 ILE HA 1.0 1.8 4.6 1230 1062 A 50 ILE HG1y A 50 ILE HA 1.0 1.8 4.4 1231 1063 A 50 ILE HD1% A 50 ILE HA 1.0 1.8 5.4 1232 1064 A 50 ILE HG1x A 50 ILE HA 1.0 1.8 4.4 1233 1065 A 50 ILE HB A 50 ILE HG1y 1.0 1.8 3.6 1234 1066 A 50 ILE HB A 50 ILE HD1% 1.0 1.8 4.6 1235 1067 A 50 ILE HG1x A 50 ILE HB 1.0 1.8 3.6 1236 1068 A 50 ILE HG2% A 50 ILE HB 1.0 1.8 4.6 1237 1069 A 50 ILE HD1% A 57 PHE HD% 1.0 1.8 7.9 1238 1070 A 50 ILE HG1x A 57 PHE HBy 1.0 1.8 4.4 1239 1071 A 50 ILE HG1y A 57 PHE HBx 1.0 1.8 4.8 1240 1072 A 50 ILE HG1y A 57 PHE HBy 1.0 1.8 4.4 1241 1073 A 50 ILE HG1x A 57 PHE HBx 1.0 1.8 4.8 1242 1074 A 50 ILE HG1x A 57 PHE HD% 1.0 1.8 6.5 1243 1075 A 50 ILE HB A 57 PHE HBx 1.0 1.8 4.4 1244 1076 A 50 ILE HG2% A 50 ILE HD1% 1.0 1.8 5.6 1245 1077 A 50 ILE HD1% A 50 ILE HG1y 1.0 1.8 4.6 1246 1078 A 51 THR HA A 57 PHE HE% 1.0 1.8 6.9 1247 1079 A 56 GLU HA A 51 THR HB 1.0 1.8 4.8 1248 1080 A 56 GLU HA A 51 THR HG2% 1.0 1.8 5.4 1249 1081 A 51 THR HA A 57 PHE HD% 1.0 1.8 6.5 1250 1082 A 51 THR HA A 56 GLU HGx 1.0 1.8 4.4 1251 1083 A 51 THR HA A 51 THR HB 1.0 1.8 3.6 1252 1084 A 51 THR HA A 51 THR HG2% 1.0 1.8 4.6 1253 1085 A 56 GLU HA A 51 THR HA 1.0 1.8 3.6 1254 1086 A 51 THR HG2% A 51 THR HB 1.0 1.8 3.8 1255 1087 A 52 ALA HB% A 79 TRP HH2 1.0 1.8 4.6 1256 1088 A 52 ALA HB% A 57 PHE HD% 1.0 1.8 6.7 1257 1089 A 52 ALA HB% A 57 PHE HE% 1.0 1.8 6.7 1258 1090 A 52 ALA H A 57 PHE HD% 1.0 1.8 6.9 1259 1091 A 52 ALA HB% A 79 TRP HZ3 1.0 1.8 4.6 1260 1092 A 52 ALA H A 57 PHE HE% 1.0 1.8 6.5 1261 1093 A 53 ARG HA A 53 ARG HDx 1.0 1.8 4.8 1262 1094 A 53 ARG HBy A 53 ARG HGx 1.0 1.8 4.4 1263 1095 A 53 ARG HGx A 53 ARG HDy 1.0 1.8 4.4 1264 1096 A 53 ARG HBy A 53 ARG HBx 1.0 1.8 2.8 1265 1097 A 53 ARG HA A 53 ARG HGx 1.0 1.8 3.6 1266 1098 A 55 HIS HD2 A 53 ARG HBx 1.0 1.8 4.4 1267 1099 A 53 ARG HBy A 53 ARG HDx 1.0 1.8 4.4 1268 1100 A 53 ARG HA A 53 ARG HBx 1.0 1.8 5.3 1269 1100 A 53 ARG HA A 53 ARG HBy 1.0 1.8 5.3 1270 1101 A 53 ARG HA A 53 ARG HGy 1.0 1.8 4.4 1271 1102 A 53 ARG HA A 53 ARG HBx 1.0 1.8 4.4 1272 1103 A 55 HIS HD2 A 53 ARG HBy 1.0 1.8 4.4 1273 1104 A 53 ARG HBy A 53 ARG HGy 1.0 1.8 4.4 1274 1105 A 53 ARG HGx A 53 ARG HBx 1.0 1.8 3.6 1275 1106 A 53 ARG HDy A 53 ARG HGy 1.0 1.8 6.2 1276 1106 A 53 ARG HGx A 53 ARG HDx 1.0 1.8 6.2 1277 1106 A 53 ARG HGx A 53 ARG HDy 1.0 1.8 6.2 1278 1106 A 53 ARG HDx A 53 ARG HGy 1.0 1.8 6.2 1279 1107 A 53 ARG HGx A 53 ARG HDx 1.0 1.8 3.6 1280 1108 A 53 ARG HGx A 53 ARG HGy 1.0 1.8 3.6 1281 1109 A 54 GLY HAy A 54 GLY HAx 1.0 1.8 3.6 1282 1110 A 55 HIS HBy A 55 HIS HD2 1.0 1.8 4.4 1283 1111 A 55 HIS HBx A 57 PHE HZ 1.0 1.8 4.4 1284 1112 A 55 HIS HBy A 57 PHE HZ 1.0 1.8 4.8 1285 1113 A 55 HIS HBy A 55 HIS HBx 1.0 1.8 3.6 1286 1114 A 55 HIS HBy A 57 PHE HE% 1.0 1.8 6.5 1287 1115 A 57 PHE HD% A 55 HIS HBx 1.0 1.8 6.9 1288 1116 A 56 GLU HBx A 56 GLU HGy 1.0 1.8 3.6 1289 1117 A 56 GLU HGx A 56 GLU HBx 1.0 1.8 4.4 1290 1118 A 56 GLU HA A 56 GLU HBy 1.0 1.8 3.6 1291 1119 A 56 GLU HA A 56 GLU HBx 1.0 1.8 3.6 1292 1120 A 56 GLU HA A 56 GLU HGx 1.0 1.8 4.4 1293 1121 A 56 GLU HA A 56 GLU HGy 1.0 1.8 4.4 1294 1122 A 56 GLU HA A 57 PHE HD% 1.0 1.8 6.5 1295 1123 A 56 GLU HA A 57 PHE HE% 1.0 1.8 6.9 1296 1124 A 57 PHE HE% A 77 PRO HDy 1.0 1.8 6.5 1297 1125 A 57 PHE HE% A 70 LEU HDy% 1.0 1.8 7.6 1298 1126 A 57 PHE HD% A 77 PRO HDy 1.0 1.8 6.5 1299 1127 A 57 PHE HBx A 57 PHE HA 1.0 1.8 4.4 1300 1128 A 57 PHE HA A 57 PHE HBy 1.0 1.8 3.6 1301 1129 A 57 PHE HE% A 57 PHE HBx 1.0 1.8 6.9 1302 1130 A 57 PHE HD% A 76 ALA HB% 1.0 1.8 7.9 1303 1131 A 57 PHE HE% A 76 ALA HB% 1.0 1.8 7.9 1304 1132 A 57 PHE HE% A 76 ALA HA 1.0 1.8 6.9 1305 1133 A 57 PHE HD% A 77 PRO HDx 1.0 1.8 6.9 1306 1134 A 57 PHE HBy A 70 LEU HDx% 1.0 1.8 5.4 1307 1135 A 57 PHE HBy A 59 VAL HGx% 1.0 1.8 5.4 1308 1136 A 57 PHE HBx A 70 LEU HDy% 1.0 1.8 5.4 1309 1137 A 57 PHE HBx A 70 LEU HDx% 1.0 1.8 4.6 1310 1138 A 57 PHE HBx A 59 VAL HGx% 1.0 1.8 5.4 1311 1139 A 57 PHE HD% A 57 PHE HA 1.0 1.8 6.5 1312 1140 A 57 PHE HE% A 80 LEU HDx% 1.0 1.8 7.9 1313 1141 A 57 PHE HD% A 70 LEU HDy% 1.0 1.8 6.7 1314 1142 A 57 PHE HD% A 57 PHE HBy 1.0 1.8 5.7 1315 1143 A 57 PHE HE% A 80 LEU HDy% 1.0 1.8 7.9 1316 1144 A 57 PHE HD% A 76 ALA HA 1.0 1.8 6.9 1317 1145 A 57 PHE HD% A 57 PHE HBx 1.0 1.8 5.7 1318 1146 A 57 PHE HD% A 70 LEU HDx% 1.0 1.8 6.7 1319 1147 A 57 PHE HD% A 80 LEU HDy% 1.0 1.8 7.5 1320 1148 A 57 PHE HBx A 80 LEU HDy% 1.0 1.8 5.8 1321 1149 A 80 LEU HDx% A 57 PHE HZ 1.0 1.8 5.8 1322 1150 A 57 PHE HE% A 57 PHE HBy 1.0 1.8 6.9 1323 1151 A 57 PHE HE% A 77 PRO HDx 1.0 1.8 6.5 1324 1152 A 57 PHE HBx A 57 PHE HBy 1.0 1.8 3.6 1325 1153 A 57 PHE HE% A 70 LEU HDx% 1.0 1.8 7.5 1326 1154 A 58 GLU HBx A 58 GLU HBy 1.0 1.8 3.6 1327 1155 A 58 GLU HBx A 71 THR HG2% 1.0 1.8 5.4 1328 1156 A 58 GLU HBx A 58 GLU HGy 1.0 1.8 2.8 1329 1157 A 58 GLU HA A 58 GLU HGx 1.0 1.8 4.5 1330 1157 A 58 GLU HA A 58 GLU HGy 1.0 1.8 4.5 1331 1158 A 58 GLU HA A 59 VAL HGx% 1.0 1.8 5.8 1332 1159 A 58 GLU HA A 58 GLU HBy 1.0 1.8 4.4 1333 1160 A 58 GLU HA A 58 GLU HBx 1.0 1.8 4.4 1334 1161 A 58 GLU HA A 59 VAL HGy% 1.0 1.8 5.8 1335 1162 A 59 VAL HGx% A 59 VAL HB 1.0 1.8 4.6 1336 1163 A 59 VAL HB A 59 VAL HGy% 1.0 1.8 4.6 1337 1164 A 59 VAL HGx% A 70 LEU HA 1.0 1.8 5.8 1338 1165 A 71 THR HG2% A 59 VAL HA 1.0 1.8 5.4 1339 1166 A 59 VAL HA A 70 LEU HBy 1.0 1.8 4.8 1340 1167 A 59 VAL HA A 59 VAL HGy% 1.0 1.8 5.4 1341 1168 A 59 VAL HA A 70 LEU HDx% 1.0 1.8 5.4 1342 1169 A 59 VAL HA A 59 VAL HGx% 1.0 1.8 4.6 1343 1170 A 59 VAL HA A 59 VAL HB 1.0 1.8 3.6 1344 1171 A 59 VAL HA A 70 LEU HDy% 1.0 1.8 5.8 1345 1172 A 59 VAL HA A 70 LEU HA 1.0 1.8 3.6 1346 1173 A 70 LEU HA A 59 VAL HGy% 1.0 1.8 5.8 1347 1174 A 59 VAL HGx% A 59 VAL HGy% 1.0 1.8 4.8 1348 1175 A 70 LEU HDx% A 59 VAL HGy% 1.0 1.8 5.6 1349 1176 A 59 VAL HGy% A 70 LEU HDy% 1.0 1.8 8.2 1350 1176 A 70 LEU HDx% A 59 VAL HGy% 1.0 1.8 8.2 1351 1176 A 59 VAL HGx% A 70 LEU HDx% 1.0 1.8 8.2 1352 1176 A 59 VAL HGx% A 70 LEU HDy% 1.0 1.8 8.2 1353 1177 A 71 THR HG2% A 60 GLU HBy 1.0 1.8 5.4 1354 1178 A 60 GLU HBy A 60 GLU HBx 1.0 1.8 3.6 1355 1179 A 60 GLU HBy A 60 GLU HGy 1.0 1.8 3.6 1356 1180 A 60 GLU HBx A 60 GLU HGy 1.0 1.8 3.6 1357 1181 A 60 GLU HBy A 71 THR HA 1.0 1.8 4.8 1358 1182 A 62 LYS HGy A 62 LYS HGx 1.0 1.8 3.6 1359 1183 A 62 LYS HGy A 62 LYS HBy 1.0 1.8 3.6 1360 1184 A 62 LYS HGy A 62 LYS HBx 1.0 1.8 3.6 1361 1185 A 62 LYS HGy A 62 LYS HEy 1.0 1.8 4.4 1362 1186 A 62 LYS HGx A 62 LYS HEy 1.0 1.8 4.8 1363 1187 A 62 LYS HEy A 62 LYS HDy 1.0 1.8 3.6 1364 1188 A 62 LYS HGx A 62 LYS HEx 1.0 1.8 4.4 1365 1189 A 62 LYS HA A 62 LYS HGx 1.0 1.8 3.6 1366 1190 A 62 LYS HA A 62 LYS HBx 1.0 1.8 4.5 1367 1190 A 62 LYS HA A 62 LYS HBy 1.0 1.8 4.5 1368 1191 A 62 LYS HA A 62 LYS HGy 1.0 1.8 4.4 1369 1192 A 62 LYS HEx A 62 LYS HBx 1.0 1.8 4.4 1370 1193 A 63 ASP HA A 63 ASP HBx 1.0 1.8 3.6 1371 1194 A 63 ASP HA A 63 ASP HBy 1.0 1.8 3.6 1372 1195 A 64 GLN HGy A 64 GLN HBx 1.0 1.8 4.4 1373 1196 A 64 GLN HBy A 84 PRO HDy 1.0 1.8 6.2 1374 1196 A 64 GLN HBx A 84 PRO HDy 1.0 1.8 6.2 1375 1196 A 84 PRO HDx A 64 GLN HBx 1.0 1.8 6.2 1376 1196 A 64 GLN HBy A 84 PRO HDx 1.0 1.8 6.2 1377 1197 A 64 GLN HA A 64 GLN HGx 1.0 1.8 5.3 1378 1197 A 64 GLN HA A 64 GLN HGy 1.0 1.8 5.3 1379 1198 A 64 GLN HA A 64 GLN HBx 1.0 1.8 3.6 1380 1199 A 64 GLN HA A 64 GLN HBy 1.0 1.8 3.6 1381 1200 A 64 GLN HBy A 64 GLN HGy 1.0 1.8 4.4 1382 1201 A 65 ASN HBy A 65 ASN HBx 1.0 1.8 3.6 1383 1202 A 66 CYS HBx A 83 GLU HA 1.0 1.8 4.8 1384 1203 A 66 CYS HBy A 83 GLU HA 1.0 1.8 4.8 1385 1204 A 82 ALA HB% A 66 CYS HBy 1.0 1.8 4.6 1386 1205 A 66 CYS HBy A 66 CYS HBx 1.0 1.8 3.6 1387 1206 A 82 ALA HB% A 66 CYS HBx 1.0 1.8 4.6 1388 1207 A 66 CYS HBy A 84 PRO HDy 1.0 1.8 4.4 1389 1208 A 66 CYS HBx A 84 PRO HDy 1.0 1.8 4.4 1390 1209 A 66 CYS HA A 66 CYS HBy 1.0 1.8 3.6 1391 1210 A 66 CYS HA A 66 CYS HBx 1.0 1.8 3.6 1392 1211 A 67 LYS HDx A 67 LYS HGx 1.0 1.8 3.6 1393 1212 A 67 LYS HGy A 67 LYS HBy 1.0 1.8 3.6 1394 1213 A 67 LYS HDx A 67 LYS HBy 1.0 1.8 2.8 1395 1214 A 67 LYS HBy A 67 LYS HGx 1.0 1.8 3.6 1396 1215 A 67 LYS HDx A 67 LYS HEy 1.0 1.8 4.4 1397 1216 A 67 LYS HGy A 67 LYS HEy 1.0 1.8 4.4 1398 1217 A 67 LYS HEy A 67 LYS HGx 1.0 1.8 4.4 1399 1218 A 67 LYS HBx A 67 LYS HA 1.0 1.8 4.4 1400 1219 A 67 LYS HDx A 67 LYS HA 1.0 1.8 4.4 1401 1220 A 67 LYS HA A 67 LYS HBy 1.0 1.8 2.8 1402 1221 A 67 LYS HEy A 67 LYS HBy 1.0 1.8 3.6 1403 1222 A 70 LEU HG A 68 VAL HGy% 1.0 1.8 5.4 1404 1223 A 68 VAL HB A 68 VAL HGy% 1.0 1.8 4.6 1405 1224 A 68 VAL HA A 68 VAL HB 1.0 1.8 3.6 1406 1225 A 68 VAL HA A 68 VAL HGy% 1.0 1.8 4.6 1407 1226 A 68 VAL HA A 68 VAL HGx% 1.0 1.8 4.6 1408 1227 A 68 VAL HGy% A 80 LEU HDy% 1.0 1.8 8.9 1409 1227 A 68 VAL HGx% A 80 LEU HDy% 1.0 1.8 8.9 1410 1227 A 80 LEU HDx% A 68 VAL HGy% 1.0 1.8 8.9 1411 1227 A 68 VAL HGx% A 80 LEU HDx% 1.0 1.8 8.9 1412 1228 A 68 VAL HGx% A 68 VAL HGy% 1.0 1.8 4.8 1413 1229 A 76 ALA HB% A 68 VAL HGy% 1.0 1.8 5.6 1414 1230 A 69 ILE HD1% A 69 ILE HG1x 1.0 1.8 4.6 1415 1231 A 69 ILE HD1% A 69 ILE HG1y 1.0 1.8 4.6 1416 1232 A 69 ILE HD1% A 69 ILE HB 1.0 1.8 4.6 1417 1233 A 69 ILE HB A 69 ILE HG2% 1.0 1.8 3.8 1418 1234 A 69 ILE HB A 69 ILE HG1y 1.0 1.8 3.6 1419 1235 A 69 ILE HD1% A 69 ILE HA 1.0 1.8 4.6 1420 1236 A 69 ILE HG1x A 69 ILE HA 1.0 1.8 3.6 1421 1237 A 69 ILE HA A 69 ILE HG2% 1.0 1.8 3.8 1422 1238 A 69 ILE HA A 69 ILE HG1y 1.0 1.8 3.6 1423 1239 A 69 ILE HA A 69 ILE HB 1.0 1.8 3.6 1424 1240 A 70 LEU HG A 70 LEU HDy% 1.0 1.8 3.8 1425 1241 A 70 LEU HDx% A 70 LEU HG 1.0 1.8 4.6 1426 1242 A 70 LEU HBy A 70 LEU HDy% 1.0 1.8 4.6 1427 1243 A 70 LEU HDx% A 70 LEU HBx 1.0 1.8 4.6 1428 1244 A 70 LEU HA A 70 LEU HDy% 1.0 1.8 4.6 1429 1245 A 70 LEU HA A 70 LEU HG 1.0 1.8 4.4 1430 1246 A 70 LEU HA A 70 LEU HBx 1.0 1.8 3.6 1431 1247 A 70 LEU HA A 70 LEU HBy 1.0 1.8 3.6 1432 1248 A 70 LEU HA A 70 LEU HDx% 1.0 1.8 4.6 1433 1249 A 71 THR HG2% A 70 LEU HA 1.0 1.8 5.4 1434 1250 A 70 LEU HDx% A 77 PRO HDx 1.0 1.8 7.6 1435 1250 A 77 PRO HDy A 70 LEU HDy% 1.0 1.8 7.6 1436 1250 A 70 LEU HDx% A 77 PRO HDy 1.0 1.8 7.6 1437 1250 A 70 LEU HDy% A 77 PRO HDx 1.0 1.8 7.6 1438 1251 A 70 LEU HDx% A 74 LYS HBx 1.0 1.8 7.6 1439 1251 A 70 LEU HDy% A 74 LYS HBx 1.0 1.8 7.6 1440 1251 A 74 LYS HBy A 70 LEU HDy% 1.0 1.8 7.6 1441 1251 A 70 LEU HDx% A 74 LYS HBy 1.0 1.8 7.6 1442 1252 A 70 LEU HDx% A 76 ALA HA 1.0 1.8 5.8 1443 1253 A 76 ALA HA A 70 LEU HDy% 1.0 1.8 4.6 1444 1254 A 70 LEU HG A 76 ALA HB% 1.0 1.8 4.6 1445 1255 A 70 LEU HDx% A 70 LEU HBy 1.0 1.8 4.6 1446 1256 A 70 LEU HDx% A 76 ALA HB% 1.0 1.8 5.6 1447 1257 A 71 THR HG2% A 71 THR HA 1.0 1.8 3.8 1448 1258 A 71 THR HG2% A 71 THR HB 1.0 1.8 3.8 1449 1259 A 71 THR HB A 71 THR HA 1.0 1.8 2.8 1450 1260 A 72 ASN HBx A 72 ASN HBy 1.0 1.8 3.6 1451 1261 A 73 GLY HAy A 73 GLY HAx 1.0 1.8 3.6 1452 1262 A 74 LYS HBy A 74 LYS HGx 1.0 1.8 5.4 1453 1262 A 74 LYS HBx A 74 LYS HGx 1.0 1.8 5.4 1454 1262 A 74 LYS HGy A 74 LYS HBx 1.0 1.8 5.4 1455 1262 A 74 LYS HGy A 74 LYS HBy 1.0 1.8 5.4 1456 1263 A 74 LYS HBy A 74 LYS HDy 1.0 1.8 3.6 1457 1264 A 74 LYS HBy A 74 LYS HEx 1.0 1.8 6.6 1458 1264 A 74 LYS HBx A 74 LYS HEx 1.0 1.8 6.6 1459 1264 A 74 LYS HEy A 74 LYS HBx 1.0 1.8 6.6 1460 1264 A 74 LYS HBy A 74 LYS HEy 1.0 1.8 6.6 1461 1265 A 74 LYS HA A 74 LYS HGx 1.0 1.8 4.5 1462 1265 A 74 LYS HGy A 74 LYS HA 1.0 1.8 4.5 1463 1266 A 74 LYS HA A 74 LYS HDx 1.0 1.8 5.3 1464 1266 A 74 LYS HA A 74 LYS HDy 1.0 1.8 5.3 1465 1267 A 74 LYS HA A 74 LYS HBx 1.0 1.8 4.5 1466 1267 A 74 LYS HBy A 74 LYS HA 1.0 1.8 4.5 1467 1268 A 75 GLN HBx A 75 GLN HGy 1.0 1.8 3.6 1468 1269 A 75 GLN HBx A 75 GLN HA 1.0 1.8 3.6 1469 1270 A 75 GLN HA A 75 GLN HGy 1.0 1.8 4.5 1470 1270 A 75 GLN HGx A 75 GLN HA 1.0 1.8 4.5 1471 1271 A 76 ALA HB% A 77 PRO HDy 1.0 1.8 4.6 1472 1272 A 76 ALA HB% A 77 PRO HDx 1.0 1.8 4.6 1473 1273 A 76 ALA HA A 77 PRO HDx 1.0 1.8 3.6 1474 1274 A 76 ALA HA A 77 PRO HDy 1.0 1.8 3.6 1475 1275 A 76 ALA HA A 80 LEU HDy% 1.0 1.8 5.8 1476 1276 A 76 ALA HB% A 76 ALA HA 1.0 1.8 4.6 1477 1277 A 76 ALA HB% A 80 LEU HDx% 1.0 1.8 5.6 1478 1278 A 76 ALA HB% A 80 LEU HDy% 1.0 1.8 5.6 1479 1279 A 76 ALA HB% A 80 LEU HBx 1.0 1.8 6.3 1480 1279 A 76 ALA HB% A 80 LEU HBy 1.0 1.8 6.3 1481 1280 A 77 PRO HGx A 77 PRO HGy 1.0 1.8 3.6 1482 1281 A 77 PRO HBy A 77 PRO HGy 1.0 1.8 4.4 1483 1282 A 77 PRO HBx A 77 PRO HBy 1.0 1.8 3.6 1484 1283 A 77 PRO HDy A 80 LEU HDy% 1.0 1.8 5.4 1485 1284 A 77 PRO HDy A 80 LEU HBy 1.0 1.8 4.8 1486 1285 A 77 PRO HBy A 77 PRO HDy 1.0 1.8 4.8 1487 1286 A 77 PRO HDy A 77 PRO HGy 1.0 1.8 4.4 1488 1287 A 77 PRO HDy A 80 LEU HBx 1.0 1.8 4.8 1489 1288 A 77 PRO HGx A 77 PRO HDy 1.0 1.8 4.4 1490 1289 A 77 PRO HDy A 77 PRO HDx 1.0 1.8 3.6 1491 1290 A 77 PRO HBy A 77 PRO HDx 1.0 1.8 4.8 1492 1291 A 77 PRO HGx A 77 PRO HDx 1.0 1.8 4.4 1493 1292 A 77 PRO HDx A 80 LEU HDy% 1.0 1.8 5.4 1494 1293 A 77 PRO HDx A 77 PRO HGy 1.0 1.8 4.4 1495 1294 A 80 LEU HBy A 77 PRO HDx 1.0 1.8 4.8 1496 1295 A 77 PRO HBx A 77 PRO HDx 1.0 1.8 4.4 1497 1296 A 79 TRP HD1 A 77 PRO HA 1.0 1.8 4.8 1498 1297 A 77 PRO HBy A 79 TRP HD1 1.0 1.8 4.4 1499 1298 A 77 PRO HBx A 77 PRO HGy 1.0 1.8 4.4 1500 1299 A 80 LEU HDx% A 77 PRO HDy 1.0 1.8 5.8 1501 1300 A 77 PRO HBx A 79 TRP HD1 1.0 1.8 4.4 1502 1301 A 77 PRO HGx A 77 PRO HA 1.0 1.8 4.4 1503 1302 A 77 PRO HA A 77 PRO HDx 1.0 1.8 4.4 1504 1303 A 77 PRO HGx A 77 PRO HBy 1.0 1.8 4.4 1505 1304 A 77 PRO HBx A 77 PRO HA 1.0 1.8 3.6 1506 1305 A 77 PRO HBy A 77 PRO HA 1.0 1.8 3.6 1507 1306 A 77 PRO HDy A 77 PRO HA 1.0 1.8 4.4 1508 1307 A 77 PRO HA A 77 PRO HGy 1.0 1.8 4.4 1509 1308 A 77 PRO HBy A 79 TRP HZ2 1.0 1.8 4.8 1510 1309 A 78 ASP HA A 78 ASP HBx 1.0 1.8 3.6 1511 1310 A 78 ASP HA A 78 ASP HBy 1.0 1.8 3.6 1512 1311 A 79 TRP HE3 A 80 LEU HBx 1.0 1.8 5.7 1513 1311 A 79 TRP HE3 A 80 LEU HBy 1.0 1.8 5.7 1514 1312 A 79 TRP HE3 A 79 TRP HBx 1.0 1.8 4.4 1515 1313 A 79 TRP HA A 79 TRP HBy 1.0 1.8 3.6 1516 1314 A 79 TRP HBx A 79 TRP HA 1.0 1.8 3.6 1517 1315 A 79 TRP HE3 A 80 LEU HA 1.0 1.8 4.8 1518 1316 A 79 TRP HE3 A 80 LEU HDy% 1.0 1.8 6.7 1519 1316 A 79 TRP HE3 A 80 LEU HDx% 1.0 1.8 6.7 1520 1317 A 79 TRP HBx A 79 TRP HBy 1.0 1.8 3.6 1521 1318 A 79 TRP HZ3 A 80 LEU HDy% 1.0 1.8 5.9 1522 1318 A 80 LEU HDx% A 79 TRP HZ3 1.0 1.8 5.9 1523 1319 A 79 TRP HD1 A 79 TRP HBy 1.0 1.8 3.6 1524 1320 A 79 TRP HZ3 A 80 LEU HBx 1.0 1.8 5.7 1525 1320 A 79 TRP HZ3 A 80 LEU HBy 1.0 1.8 5.7 1526 1321 A 81 ALA H A 79 TRP HE3 1.0 1.8 4.8 1527 1322 A 79 TRP HBx A 79 TRP HD1 1.0 1.8 4.4 1528 1323 A 80 LEU HA A 80 LEU HBy 1.0 1.8 4.8 1529 1324 A 80 LEU HA A 80 LEU HBx 1.0 1.8 4.8 1530 1325 A 80 LEU HA A 80 LEU HG 1.0 1.8 4.8 1531 1326 A 81 ALA H A 80 LEU H 1.0 1.8 4.8 1532 1327 A 80 LEU HDx% A 80 LEU HBy 1.0 1.8 4.6 1533 1328 A 80 LEU HBy A 80 LEU HBx 1.0 1.8 3.6 1534 1329 A 80 LEU HDx% A 80 LEU HDy% 1.0 1.8 4.8 1535 1330 A 80 LEU HG A 80 LEU HBy 1.0 1.8 4.4 1536 1331 A 80 LEU HG A 80 LEU HDy% 1.0 1.8 4.6 1537 1332 A 80 LEU HG A 80 LEU HDx% 1.0 1.8 4.6 1538 1333 A 80 LEU HBx A 80 LEU HDy% 1.0 1.8 4.6 1539 1334 A 82 ALA HA A 82 ALA HB% 1.0 1.8 4.6 1540 1335 A 83 GLU HBy A 83 GLU HA 1.0 1.8 3.6 1541 1336 A 83 GLU HA A 84 PRO HDx 1.0 1.8 3.6 1542 1337 A 83 GLU HBx A 83 GLU HA 1.0 1.8 3.6 1543 1338 A 83 GLU HGy A 83 GLU HA 1.0 1.8 4.4 1544 1339 A 83 GLU HA A 84 PRO HDy 1.0 1.8 3.6 1545 1340 A 83 GLU HBy A 83 GLU HGy 1.0 1.8 3.6 1546 1341 A 83 GLU HBx A 83 GLU HGy 1.0 1.8 3.6 1547 1342 A 83 GLU HBy A 84 PRO HDx 1.0 1.8 4.4 1548 1343 A 84 PRO HGx A 84 PRO HBx 1.0 1.8 4.4 1549 1344 A 84 PRO HGx A 84 PRO HDy 1.0 1.8 4.4 1550 1345 A 84 PRO HBx A 84 PRO HDy 1.0 1.8 4.4 1551 1346 A 84 PRO HBy A 84 PRO HDy 1.0 1.8 3.6 1552 1347 A 84 PRO HBx A 84 PRO HDx 1.0 1.8 4.8 1553 1348 A 84 PRO HA A 84 PRO HBx 1.0 1.8 3.6 1554 1349 A 84 PRO HA A 84 PRO HBy 1.0 1.8 4.4 1555 1350 A 84 PRO HA A 84 PRO HDx 1.0 1.8 4.8 1556 1351 A 84 PRO HA A 84 PRO HGy 1.0 1.8 5.3 1557 1351 A 84 PRO HA A 84 PRO HGx 1.0 1.8 5.3 1558 1352 A 84 PRO HA A 84 PRO HDy 1.0 1.8 4.8 1559 1353 A 85 TYR HA A 85 TYR HBy 1.0 1.8 3.6 1560 1354 A 85 TYR HBx A 85 TYR HA 1.0 1.8 3.6 1561 1355 A 85 TYR HBx A 85 TYR HBy 1.0 1.8 3.6 1562 1356 A 85 TYR HD% A 85 TYR HBy 1.0 1.8 5.7 1563 1357 A 85 TYR HA A 85 TYR HE% 1.0 1.8 6.9 1564 1358 A 85 TYR HBx A 85 TYR HD% 1.0 1.8 5.7 1565 1359 A 85 TYR HBx A 85 TYR HE% 1.0 1.8 6.5 1566 1360 A 85 TYR HE% A 85 TYR HBy 1.0 1.8 6.9 1567 1361 A 85 TYR HA A 85 TYR HD% 1.0 1.8 5.7 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 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 25 CYS H A 42 VAL O 1.0 1.8 2.4 2 2 A 26 VAL H A 83 GLU O 1.0 1.8 2.4 3 3 A 27 TYR H A 40 MET O 1.0 1.8 2.4 4 4 A 28 TYR H A 81 ALA O 1.0 1.8 2.4 5 5 A 29 ASP H A 37 VAL O 1.0 1.8 2.4 6 6 A 30 GLY H A 79 TRP O 1.0 1.8 2.4 7 7 A 42 VAL H A 25 CYS O 1.0 1.8 2.4 8 8 A 44 ILE H A 23 ARG O 1.0 1.8 2.4 9 9 A 45 GLY H A 61 ALA O 1.0 1.8 2.4 10 10 A 46 ASN H A 43 ARG O 1.0 1.8 2.4 11 11 A 48 ALA H A 59 VAL O 1.0 1.8 2.4 12 12 A 50 ILE H A 57 PHE O 1.0 1.8 2.4 13 13 A 52 ALA H A 55 HIS O 1.0 1.8 2.4 14 14 A 57 PHE H A 50 ILE O 1.0 1.8 2.4 15 15 A 59 VAL H A 48 ALA O 1.0 1.8 2.4 16 16 A 60 GLU H A 69 ILE O 1.0 1.8 2.4 17 17 A 61 ALA H A 46 ASN O 1.0 1.8 2.4 18 18 A 81 ALA H A 28 TYR O 1.0 1.8 2.4 19 19 A 83 GLU H A 26 VAL O 1.0 1.8 2.4 20 20 A 85 TYR H A 24 SER O 1.0 1.8 2.4 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 18 MET C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -209.0 27.0 PHI 2 2 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 ALA N 1.0 85.0 221.0 PSI 3 3 A 19 ALA C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -110.0 -54.0 PHI 4 4 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 PRO N 1.0 123.0 175.0 PSI 5 5 A 21 PRO C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -143.0 -55.0 PHI 6 6 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 ARG N 1.0 -50.0 42.0 PSI 7 7 A 22 ALA C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 26.0 90.0 PHI 8 8 A 23 ARG N A 23 ARG CA A 23 ARG C A 24 SER N 1.0 14.0 54.0 PSI 9 9 A 23 ARG C A 24 SER N A 24 SER CA A 24 SER C 1.0 -163.0 -83.0 PHI 10 10 A 24 SER N A 24 SER CA A 24 SER C A 25 CYS N 1.0 125.0 177.0 PSI 11 11 A 24 SER C A 25 CYS N A 25 CYS CA A 25 CYS C 1.0 -161.0 -109.0 PHI 12 12 A 25 CYS N A 25 CYS CA A 25 CYS C A 26 VAL N 1.0 132.0 176.0 PSI 13 13 A 25 CYS C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -137.0 -97.0 PHI 14 14 A 26 VAL N A 26 VAL CA A 26 VAL C A 27 TYR N 1.0 86.0 170.0 PSI 15 15 A 26 VAL C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 -158.0 -82.0 PHI 16 16 A 27 TYR N A 27 TYR CA A 27 TYR C A 28 TYR N 1.0 126.0 162.0 PSI 17 17 A 27 TYR C A 28 TYR N A 28 TYR CA A 28 TYR C 1.0 -163.0 -99.0 PHI 18 18 A 28 TYR N A 28 TYR CA A 28 TYR C A 29 ASP N 1.0 131.0 179.0 PSI 19 19 A 28 TYR C A 29 ASP N A 29 ASP CA A 29 ASP C 1.0 -136.0 -76.0 PHI 20 20 A 29 ASP N A 29 ASP CA A 29 ASP C A 30 GLY N 1.0 103.0 147.0 PSI 21 21 A 29 ASP C A 30 GLY N A 30 GLY CA A 30 GLY C 1.0 -182.0 -50.0 PHI 22 22 A 30 GLY N A 30 GLY CA A 30 GLY C A 31 HIS N 1.0 128.0 188.0 PSI 23 23 A 31 HIS C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -131.0 -55.0 PHI 24 24 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 PRO N 1.0 87.0 199.0 PSI 25 25 A 33 PRO C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -97.0 -61.0 PHI 26 26 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 THR N 1.0 -60.0 4.0 PSI 27 27 A 34 ALA C A 35 THR N A 35 THR CA A 35 THR C 1.0 -139.0 -91.0 PHI 28 28 A 35 THR N A 35 THR CA A 35 THR C A 36 ARG N 1.0 -28.0 24.0 PSI 29 29 A 35 THR C A 36 ARG N A 36 ARG CA A 36 ARG C 1.0 -139.0 -31.0 PHI 30 30 A 36 ARG N A 36 ARG CA A 36 ARG C A 37 VAL N 1.0 82.0 178.0 PSI 31 31 A 36 ARG C A 37 VAL N A 37 VAL CA A 37 VAL C 1.0 -146.0 -94.0 PHI 32 32 A 37 VAL N A 37 VAL CA A 37 VAL C A 38 LEU N 1.0 120.0 148.0 PSI 33 33 A 37 VAL C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -104.0 -52.0 PHI 34 34 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 LEU N 1.0 105.0 145.0 PSI 35 35 A 38 LEU C A 39 LEU N A 39 LEU CA A 39 LEU C 1.0 -128.0 -56.0 PHI 36 36 A 39 LEU N A 39 LEU CA A 39 LEU C A 40 MET N 1.0 -60.0 -16.0 PSI 37 37 A 39 LEU C A 40 MET N A 40 MET CA A 40 MET C 1.0 -182.0 -138.0 PHI 38 38 A 40 MET N A 40 MET CA A 40 MET C A 41 TYR N 1.0 133.0 173.0 PSI 39 39 A 40 MET C A 41 TYR N A 41 TYR CA A 41 TYR C 1.0 -157.0 -89.0 PHI 40 40 A 41 TYR N A 41 TYR CA A 41 TYR C A 42 VAL N 1.0 107.0 155.0 PSI 41 41 A 41 TYR C A 42 VAL N A 42 VAL CA A 42 VAL C 1.0 -156.0 -96.0 PHI 42 42 A 42 VAL N A 42 VAL CA A 42 VAL C A 43 ARG N 1.0 110.0 166.0 PSI 43 43 A 42 VAL C A 43 ARG N A 43 ARG CA A 43 ARG C 1.0 -152.0 -32.0 PHI 44 44 A 43 ARG N A 43 ARG CA A 43 ARG C A 44 ILE N 1.0 111.0 155.0 PSI 45 45 A 43 ARG C A 44 ILE N A 44 ILE CA A 44 ILE C 1.0 -67.0 -39.0 PHI 46 46 A 44 ILE N A 44 ILE CA A 44 ILE C A 45 GLY N 1.0 121.0 145.0 PSI 47 47 A 45 GLY C A 46 ASN N A 46 ASN CA A 46 ASN C 1.0 -153.0 -45.0 PHI 48 48 A 46 ASN N A 46 ASN CA A 46 ASN C A 47 THR N 1.0 93.0 201.0 PSI 49 49 A 46 ASN C A 47 THR N A 47 THR CA A 47 THR C 1.0 -137.0 -101.0 PHI 50 50 A 47 THR N A 47 THR CA A 47 THR C A 48 ALA N 1.0 131.0 167.0 PSI 51 51 A 47 THR C A 48 ALA N A 48 ALA CA A 48 ALA C 1.0 -176.0 -104.0 PHI 52 52 A 48 ALA N A 48 ALA CA A 48 ALA C A 49 THR N 1.0 110.0 178.0 PSI 53 53 A 48 ALA C A 49 THR N A 49 THR CA A 49 THR C 1.0 -146.0 -66.0 PHI 54 54 A 49 THR N A 49 THR CA A 49 THR C A 50 ILE N 1.0 100.0 136.0 PSI 55 55 A 49 THR C A 50 ILE N A 50 ILE CA A 50 ILE C 1.0 -145.0 -97.0 PHI 56 56 A 50 ILE N A 50 ILE CA A 50 ILE C A 51 THR N 1.0 111.0 147.0 PSI 57 57 A 50 ILE C A 51 THR N A 51 THR CA A 51 THR C 1.0 -155.0 -79.0 PHI 58 58 A 51 THR N A 51 THR CA A 51 THR C A 52 ALA N 1.0 124.0 152.0 PSI 59 59 A 51 THR C A 52 ALA N A 52 ALA CA A 52 ALA C 1.0 -181.0 -65.0 PHI 60 60 A 52 ALA N A 52 ALA CA A 52 ALA C A 53 ARG N 1.0 122.0 190.0 PSI 61 61 A 52 ALA C A 53 ARG N A 53 ARG CA A 53 ARG C 1.0 26.0 90.0 PHI 62 62 A 53 ARG N A 53 ARG CA A 53 ARG C A 54 GLY N 1.0 14.0 54.0 PSI 63 63 A 54 GLY C A 55 HIS N A 55 HIS CA A 55 HIS C 1.0 -152.0 -100.0 PHI 64 64 A 55 HIS N A 55 HIS CA A 55 HIS C A 56 GLU N 1.0 128.0 156.0 PSI 65 65 A 55 HIS C A 56 GLU N A 56 GLU CA A 56 GLU C 1.0 -149.0 -69.0 PHI 66 66 A 56 GLU N A 56 GLU CA A 56 GLU C A 57 PHE N 1.0 117.0 161.0 PSI 67 67 A 56 GLU C A 57 PHE N A 57 PHE CA A 57 PHE C 1.0 -163.0 -87.0 PHI 68 68 A 57 PHE N A 57 PHE CA A 57 PHE C A 58 GLU N 1.0 99.0 171.0 PSI 69 69 A 57 PHE C A 58 GLU N A 58 GLU CA A 58 GLU C 1.0 -130.0 -74.0 PHI 70 70 A 58 GLU N A 58 GLU CA A 58 GLU C A 59 VAL N 1.0 111.0 159.0 PSI 71 71 A 58 GLU C A 59 VAL N A 59 VAL CA A 59 VAL C 1.0 -167.0 -99.0 PHI 72 72 A 59 VAL N A 59 VAL CA A 59 VAL C A 60 GLU N 1.0 136.0 184.0 PSI 73 73 A 59 VAL C A 60 GLU N A 60 GLU CA A 60 GLU C 1.0 -165.0 -97.0 PHI 74 74 A 60 GLU N A 60 GLU CA A 60 GLU C A 61 ALA N 1.0 101.0 145.0 PSI 75 75 A 60 GLU C A 61 ALA N A 61 ALA CA A 61 ALA C 1.0 -102.0 -78.0 PHI 76 76 A 61 ALA N A 61 ALA CA A 61 ALA C A 62 LYS N 1.0 75.0 143.0 PSI 77 77 A 61 ALA C A 62 LYS N A 62 LYS CA A 62 LYS C 1.0 -96.0 -48.0 PHI 78 78 A 62 LYS N A 62 LYS CA A 62 LYS C A 63 ASP N 1.0 -58.0 -26.0 PSI 79 79 A 66 CYS C A 67 LYS N A 67 LYS CA A 67 LYS C 1.0 -176.0 20.0 PHI 80 80 A 67 LYS N A 67 LYS CA A 67 LYS C A 68 VAL N 1.0 91.0 199.0 PSI 81 81 A 67 LYS C A 68 VAL N A 68 VAL CA A 68 VAL C 1.0 -115.0 -43.0 PHI 82 82 A 68 VAL N A 68 VAL CA A 68 VAL C A 69 ILE N 1.0 94.0 150.0 PSI 83 83 A 68 VAL C A 69 ILE N A 69 ILE CA A 69 ILE C 1.0 -149.0 -97.0 PHI 84 84 A 69 ILE N A 69 ILE CA A 69 ILE C A 70 LEU N 1.0 120.0 168.0 PSI 85 85 A 69 ILE C A 70 LEU N A 70 LEU CA A 70 LEU C 1.0 -99.0 -67.0 PHI 86 86 A 70 LEU N A 70 LEU CA A 70 LEU C A 71 THR N 1.0 127.0 211.0 PSI 87 87 A 70 LEU C A 71 THR N A 71 THR CA A 71 THR C 1.0 -83.0 -47.0 PHI 88 88 A 71 THR N A 71 THR CA A 71 THR C A 72 ASN N 1.0 -48.0 4.0 PSI 89 89 A 71 THR C A 72 ASN N A 72 ASN CA A 72 ASN C 1.0 -103.0 -71.0 PHI 90 90 A 72 ASN N A 72 ASN CA A 72 ASN C A 73 GLY N 1.0 -15.0 25.0 PSI 91 91 A 72 ASN C A 73 GLY N A 73 GLY CA A 73 GLY C 1.0 64.0 116.0 PHI 92 92 A 73 GLY N A 73 GLY CA A 73 GLY C A 74 LYS N 1.0 -26.0 38.0 PSI 93 93 A 74 LYS C A 75 GLN N A 75 GLN CA A 75 GLN C 1.0 -142.0 -26.0 PHI 94 94 A 75 GLN N A 75 GLN CA A 75 GLN C A 76 ALA N 1.0 96.0 164.0 PSI 95 95 A 75 GLN C A 76 ALA N A 76 ALA CA A 76 ALA C 1.0 -108.0 -48.0 PHI 96 96 A 76 ALA N A 76 ALA CA A 76 ALA C A 77 PRO N 1.0 115.0 179.0 PSI 97 97 A 77 PRO C A 78 ASP N A 78 ASP CA A 78 ASP C 1.0 -82.0 -46.0 PHI 98 98 A 78 ASP N A 78 ASP CA A 78 ASP C A 79 TRP N 1.0 -46.0 -2.0 PSI 99 99 A 79 TRP C A 80 LEU N A 80 LEU CA A 80 LEU C 1.0 -122.0 -54.0 PHI 100 100 A 80 LEU N A 80 LEU CA A 80 LEU C A 81 ALA N 1.0 91.0 163.0 PSI 101 101 A 80 LEU C A 81 ALA N A 81 ALA CA A 81 ALA C 1.0 -143.0 -95.0 PHI 102 102 A 81 ALA N A 81 ALA CA A 81 ALA C A 82 ALA N 1.0 126.0 178.0 PSI 103 103 A 81 ALA C A 82 ALA N A 82 ALA CA A 82 ALA C 1.0 -171.0 -87.0 PHI 104 104 A 82 ALA N A 82 ALA CA A 82 ALA C A 83 GLU N 1.0 113.0 177.0 PSI 105 105 A 82 ALA C A 83 GLU N A 83 GLU CA A 83 GLU C 1.0 -163.0 -95.0 PHI 106 106 A 83 GLU N A 83 GLU CA A 83 GLU C A 84 PRO N 1.0 66.0 194.0 PSI stop_ save_