data_nef_c18570_2lvh save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_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 34 GLU OE2 2 1 ZN ZN 1 29 HIS NE2 2 1 ZN ZN 1 16 CYS SG 2 1 ZN ZN 1 13 CYS SG 2 1 ZN ZN 1 34 GLU OE1 2 1 ZN ZN 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 1 MET start . . 2 A 2 ILE middle . . 3 A 3 GLU middle . . 4 A 4 VAL middle . . 5 A 5 SER middle . . 6 A 6 SER middle . . 7 A 7 MET middle . . 8 A 8 GLU middle . . 9 A 9 ARG middle . . 10 A 10 VAL middle . . 11 A 11 TYR middle . . 12 A 12 GLN middle . . 13 A 13 CYS middle -HG . 14 A 14 LEU middle . . 15 A 15 ARG middle . . 16 A 16 CYS middle -HG . 17 A 17 GLY middle . false 18 A 18 LEU middle . . 19 A 19 THR middle . . 20 A 20 PHE middle . . 21 A 21 ARG middle . . 22 A 22 THR middle . . 23 A 23 LYS middle . . 24 A 24 LYS middle . . 25 A 25 GLN middle . . 26 A 26 LEU middle . . 27 A 27 ILE middle . . 28 A 28 ARG middle . . 29 A 29 HIS middle -HE2 . 30 A 30 LEU middle . . 31 A 31 VAL middle . . 32 A 32 ASN middle . . 33 A 33 THR middle . . 34 A 34 GLU middle . . 35 A 35 LYS middle . . 36 A 36 VAL middle . . 37 A 37 ASN middle . . 38 A 38 PRO middle . false 39 A 39 LEU middle . . 40 A 40 SER middle . . 41 A 41 ILE middle . . 42 A 42 ASP middle . . 43 A 43 TYR middle . . 44 A 44 TYR middle . . 45 A 45 TYR middle . . 46 A 46 GLN middle . . 47 A 47 SER middle . . 48 A 48 PHE middle . . 49 A 49 SER middle . . 50 A 50 VAL middle . . 51 A 51 SER middle . . 52 A 52 LEU middle . . 53 A 53 LYS middle . . 54 A 54 ASP middle . . 55 A 55 VAL middle . . 56 A 56 ASN middle . . 57 A 57 LYS middle . . 58 A 58 ILE middle . . 59 A 59 ILE end . . 60 B 1 ZN . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.524 0.02 A 1 MET HE% H 1 1.997 0.02 A 1 MET HGx H 1 2.525 0.02 A 1 MET HGy H 1 2.525 0.02 A 1 MET C C 13 175.700 0.35 A 1 MET CA C 13 54.220 0.35 A 1 MET CB C 13 33.240 0.35 A 1 MET CE C 13 17.118 0.35 A 1 MET CG C 13 31.833 0.35 A 2 ILE H H 1 8.256 0.02 A 2 ILE HA H 1 4.120 0.02 A 2 ILE HB H 1 1.807 0.02 A 2 ILE HD1% H 1 0.837 0.02 A 2 ILE HG1x H 1 1.159 0.02 A 2 ILE HG1y H 1 1.450 0.02 A 2 ILE HG2% H 1 0.905 0.02 A 2 ILE C C 13 175.800 0.35 A 2 ILE CA C 13 61.140 0.35 A 2 ILE CB C 13 38.920 0.35 A 2 ILE CD1 C 13 12.864 0.35 A 2 ILE CG1 C 13 27.268 0.35 A 2 ILE CG2 C 13 17.485 0.35 A 2 ILE N N 15 122.759 0.15 A 3 GLU H H 1 8.539 0.02 A 3 GLU HA H 1 4.340 0.02 A 3 GLU HBx H 1 1.921 0.02 A 3 GLU HBy H 1 2.015 0.02 A 3 GLU HGx H 1 2.214 0.02 A 3 GLU HGy H 1 2.214 0.02 A 3 GLU C C 13 176.300 0.35 A 3 GLU CA C 13 56.340 0.35 A 3 GLU CB C 13 30.490 0.35 A 3 GLU CG C 13 36.301 0.35 A 3 GLU N N 15 125.788 0.15 A 4 VAL H H 1 8.278 0.02 A 4 VAL HA H 1 4.123 0.02 A 4 VAL HB H 1 2.160 0.02 A 4 VAL HGx% H 1 0.920 0.02 A 4 VAL HGy% H 1 0.920 0.02 A 4 VAL C C 13 175.700 0.35 A 4 VAL CA C 13 62.414 0.35 A 4 VAL CB C 13 32.370 0.35 A 4 VAL CGx C 13 21.010 0.35 A 4 VAL CGy C 13 21.010 0.35 A 4 VAL N N 15 122.096 0.15 A 5 SER H H 1 7.514 0.02 A 5 SER N N 15 110.841 0.15 A 7 MET HA H 1 4.738 0.02 A 7 MET HBx H 1 1.960 0.02 A 7 MET HBy H 1 1.960 0.02 A 7 MET HE% H 1 2.066 0.02 A 7 MET HGy H 1 2.569 0.02 A 7 MET HGx H 1 2.434 0.02 A 7 MET C C 13 175.670 0.35 A 7 MET CA C 13 55.080 0.35 A 7 MET CB C 13 33.900 0.35 A 7 MET CE C 13 16.924 0.35 A 7 MET CG C 13 32.131 0.35 A 8 GLU H H 1 8.592 0.02 A 8 GLU HA H 1 4.430 0.02 A 8 GLU HBy H 1 1.998 0.02 A 8 GLU HBx H 1 1.863 0.02 A 8 GLU HGx H 1 2.195 0.02 A 8 GLU HGy H 1 2.195 0.02 A 8 GLU C C 13 175.000 0.35 A 8 GLU CA C 13 55.880 0.35 A 8 GLU CB C 13 31.670 0.35 A 8 GLU CG C 13 36.187 0.35 A 8 GLU N N 15 121.610 0.15 A 9 ARG H H 1 8.334 0.02 A 9 ARG HA H 1 4.660 0.02 A 9 ARG HBy H 1 1.525 0.02 A 9 ARG HBx H 1 1.472 0.02 A 9 ARG HDx H 1 2.993 0.02 A 9 ARG HDy H 1 2.993 0.02 A 9 ARG HGy H 1 1.348 0.02 A 9 ARG HGx H 1 1.190 0.02 A 9 ARG C C 13 174.800 0.35 A 9 ARG CA C 13 55.360 0.35 A 9 ARG CB C 13 31.860 0.35 A 9 ARG CD C 13 43.072 0.35 A 9 ARG CG C 13 27.135 0.35 A 9 ARG N N 15 122.834 0.15 A 10 VAL H H 1 8.316 0.02 A 10 VAL HA H 1 4.390 0.02 A 10 VAL HB H 1 1.600 0.02 A 10 VAL HGx% H 1 0.720 0.02 A 10 VAL HGy% H 1 0.477 0.02 A 10 VAL C C 13 174.000 0.35 A 10 VAL CA C 13 60.210 0.35 A 10 VAL CB C 13 34.410 0.35 A 10 VAL CGy C 13 21.842 0.35 A 10 VAL CGx C 13 19.975 0.35 A 10 VAL N N 15 118.317 0.15 A 11 TYR H H 1 8.479 0.02 A 11 TYR HA H 1 4.860 0.02 A 11 TYR HBy H 1 2.768 0.02 A 11 TYR HBx H 1 2.694 0.02 A 11 TYR HDx H 1 6.750 0.02 A 11 TYR HDy H 1 6.750 0.02 A 11 TYR HEx H 1 6.720 0.02 A 11 TYR HEy H 1 6.720 0.02 A 11 TYR C C 13 174.600 0.35 A 11 TYR CA C 13 57.280 0.35 A 11 TYR CB C 13 42.130 0.35 A 11 TYR CDx C 13 132.960 0.35 A 11 TYR CDy C 13 132.960 0.35 A 11 TYR CEx C 13 117.870 0.35 A 11 TYR CEy C 13 117.870 0.35 A 11 TYR N N 15 119.779 0.15 A 12 GLN H H 1 9.458 0.02 A 12 GLN HA H 1 5.330 0.02 A 12 GLN HBy H 1 2.100 0.02 A 12 GLN HBx H 1 1.998 0.02 A 12 GLN HE2x H 1 6.674 0.02 A 12 GLN HE2y H 1 7.514 0.02 A 12 GLN HGy H 1 2.190 0.02 A 12 GLN HGx H 1 1.680 0.02 A 12 GLN C C 13 174.800 0.35 A 12 GLN CA C 13 54.160 0.35 A 12 GLN CB C 13 33.700 0.35 A 12 GLN CG C 13 33.700 0.35 A 12 GLN N N 15 123.509 0.15 A 12 GLN NE2 N 15 110.595 0.15 A 13 CYS H H 1 9.009 0.02 A 13 CYS HA H 1 4.730 0.02 A 13 CYS HBy H 1 3.440 0.02 A 13 CYS HBx H 1 2.898 0.02 A 13 CYS C C 13 177.400 0.35 A 13 CYS CA C 13 59.760 0.35 A 13 CYS CB C 13 30.440 0.35 A 13 CYS N N 15 127.736 0.15 A 14 LEU H H 1 9.081 0.02 A 14 LEU HA H 1 4.340 0.02 A 14 LEU HBx H 1 1.622 0.02 A 14 LEU HBy H 1 1.622 0.02 A 14 LEU HDx% H 1 0.790 0.02 A 14 LEU HDy% H 1 0.734 0.02 A 14 LEU HG H 1 1.445 0.02 A 14 LEU C C 13 178.000 0.35 A 14 LEU CA C 13 56.580 0.35 A 14 LEU CB C 13 41.970 0.35 A 14 LEU CDx C 13 22.236 0.35 A 14 LEU CDy C 13 25.456 0.35 A 14 LEU CG C 13 27.296 0.35 A 14 LEU N N 15 130.302 0.15 A 15 ARG H H 1 9.223 0.02 A 15 ARG HA H 1 4.350 0.02 A 15 ARG HBy H 1 1.853 0.02 A 15 ARG HBx H 1 1.721 0.02 A 15 ARG HDy H 1 3.020 0.02 A 15 ARG HDx H 1 2.928 0.02 A 15 ARG HGx H 1 1.633 0.02 A 15 ARG HGy H 1 1.633 0.02 A 15 ARG C C 13 177.300 0.35 A 15 ARG CA C 13 58.300 0.35 A 15 ARG CB C 13 30.630 0.35 A 15 ARG CD C 13 42.987 0.35 A 15 ARG CG C 13 27.695 0.35 A 15 ARG N N 15 120.432 0.15 A 16 CYS H H 1 8.059 0.02 A 16 CYS HA H 1 5.137 0.02 A 16 CYS HBy H 1 3.233 0.02 A 16 CYS HBx H 1 3.035 0.02 A 16 CYS C C 13 176.200 0.35 A 16 CYS CA C 13 58.420 0.35 A 16 CYS CB C 13 31.880 0.35 A 16 CYS N N 15 115.344 0.15 A 17 GLY H H 1 8.071 0.02 A 17 GLY HAy H 1 4.320 0.02 A 17 GLY HAx H 1 3.816 0.02 A 17 GLY C C 13 174.400 0.35 A 17 GLY CA C 13 46.200 0.35 A 17 GLY N N 15 113.652 0.15 A 18 LEU H H 1 8.434 0.02 A 18 LEU HA H 1 4.090 0.02 A 18 LEU HBy H 1 1.388 0.02 A 18 LEU HBx H 1 0.912 0.02 A 18 LEU HDx% H 1 0.771 0.02 A 18 LEU HDy% H 1 0.827 0.02 A 18 LEU HG H 1 1.723 0.02 A 18 LEU C C 13 175.500 0.35 A 18 LEU CA C 13 56.540 0.35 A 18 LEU CB C 13 43.000 0.35 A 18 LEU CDx C 13 23.136 0.35 A 18 LEU CDy C 13 25.060 0.35 A 18 LEU CG C 13 27.097 0.35 A 18 LEU N N 15 124.768 0.15 A 19 THR H H 1 7.496 0.02 A 19 THR HA H 1 5.210 0.02 A 19 THR HB H 1 3.884 0.02 A 19 THR HG2% H 1 1.045 0.02 A 19 THR C C 13 173.200 0.35 A 19 THR CA C 13 59.710 0.35 A 19 THR CB C 13 71.170 0.35 A 19 THR CG2 C 13 21.718 0.35 A 19 THR N N 15 110.199 0.15 A 20 PHE H H 1 9.088 0.02 A 20 PHE HA H 1 4.760 0.02 A 20 PHE HBy H 1 3.267 0.02 A 20 PHE HBx H 1 2.601 0.02 A 20 PHE HDx H 1 7.083 0.02 A 20 PHE HDy H 1 7.083 0.02 A 20 PHE HEx H 1 6.840 0.02 A 20 PHE HEy H 1 6.840 0.02 A 20 PHE C C 13 179.000 0.35 A 20 PHE CA C 13 56.780 0.35 A 20 PHE CB C 13 43.950 0.35 A 20 PHE CDx C 13 132.100 0.35 A 20 PHE CDy C 13 132.100 0.35 A 20 PHE CEx C 13 130.660 0.35 A 20 PHE CEy C 13 130.660 0.35 A 20 PHE N N 15 118.318 0.15 A 21 ARG H H 1 7.500 0.02 A 21 ARG HA H 1 4.534 0.02 A 21 ARG HBy H 1 2.145 0.02 A 21 ARG HBx H 1 1.944 0.02 A 21 ARG HDx H 1 3.238 0.02 A 21 ARG HDy H 1 3.238 0.02 A 21 ARG HGy H 1 1.831 0.02 A 21 ARG HGx H 1 1.707 0.02 A 21 ARG C C 13 176.136 0.35 A 21 ARG CA C 13 57.328 0.35 A 21 ARG CB C 13 31.183 0.35 A 21 ARG CD C 13 42.880 0.35 A 21 ARG CG C 13 27.944 0.35 A 21 ARG N N 15 110.600 0.15 A 22 THR H H 1 7.423 0.02 A 22 THR HA H 1 4.882 0.02 A 22 THR HB H 1 4.468 0.02 A 22 THR HG2% H 1 1.235 0.02 A 22 THR CA C 13 58.510 0.35 A 22 THR CB C 13 72.344 0.35 A 22 THR CG2 C 13 21.784 0.35 A 22 THR N N 15 103.954 0.15 A 23 LYS HA H 1 2.856 0.02 A 23 LYS HBy H 1 1.488 0.02 A 23 LYS HBx H 1 1.122 0.02 A 23 LYS HDx H 1 1.328 0.02 A 23 LYS HDy H 1 1.328 0.02 A 23 LYS HEx H 1 2.527 0.02 A 23 LYS HEy H 1 2.527 0.02 A 23 LYS HGy H 1 1.005 0.02 A 23 LYS HGx H 1 0.560 0.02 A 23 LYS C C 13 178.040 0.35 A 23 LYS CA C 13 58.530 0.35 A 23 LYS CB C 13 31.580 0.35 A 23 LYS CD C 13 29.007 0.35 A 23 LYS CE C 13 41.682 0.35 A 23 LYS CG C 13 25.276 0.35 A 24 LYS H H 1 8.199 0.02 A 24 LYS HA H 1 3.724 0.02 A 24 LYS HBy H 1 1.751 0.02 A 24 LYS HBx H 1 1.643 0.02 A 24 LYS HDy H 1 1.616 0.02 A 24 LYS HDx H 1 1.428 0.02 A 24 LYS HGy H 1 1.409 0.02 A 24 LYS HGx H 1 1.259 0.02 A 24 LYS C C 13 179.100 0.35 A 24 LYS CA C 13 60.010 0.35 A 24 LYS CB C 13 32.420 0.35 A 24 LYS CD C 13 29.395 0.35 A 24 LYS CG C 13 25.096 0.35 A 24 LYS N N 15 117.666 0.15 A 25 GLN H H 1 7.389 0.02 A 25 GLN HA H 1 3.850 0.02 A 25 GLN HBy H 1 2.184 0.02 A 25 GLN HBx H 1 2.113 0.02 A 25 GLN HGx H 1 2.419 0.02 A 25 GLN HGy H 1 2.419 0.02 A 25 GLN C C 13 178.300 0.35 A 25 GLN CA C 13 58.430 0.35 A 25 GLN CB C 13 29.270 0.35 A 25 GLN CG C 13 34.527 0.35 A 25 GLN N N 15 117.106 0.15 A 26 LEU H H 1 7.065 0.02 A 26 LEU HA H 1 2.820 0.02 A 26 LEU HBy H 1 1.702 0.02 A 26 LEU HBx H 1 1.162 0.02 A 26 LEU HDx% H 1 0.666 0.02 A 26 LEU HDy% H 1 0.331 0.02 A 26 LEU HG H 1 1.160 0.02 A 26 LEU C C 13 177.900 0.35 A 26 LEU CA C 13 57.480 0.35 A 26 LEU CB C 13 40.590 0.35 A 26 LEU CDx C 13 22.719 0.35 A 26 LEU CDy C 13 24.731 0.35 A 26 LEU CG C 13 26.987 0.35 A 26 LEU N N 15 121.624 0.15 A 27 ILE H H 1 8.572 0.02 A 27 ILE HA H 1 3.200 0.02 A 27 ILE HB H 1 1.661 0.02 A 27 ILE HD1% H 1 0.599 0.02 A 27 ILE HG1x H 1 0.813 0.02 A 27 ILE HG1y H 1 1.428 0.02 A 27 ILE HG2% H 1 0.793 0.02 A 27 ILE C C 13 177.000 0.35 A 27 ILE CA C 13 66.160 0.35 A 27 ILE CB C 13 37.270 0.35 A 27 ILE CD1 C 13 13.014 0.35 A 27 ILE CG1 C 13 29.533 0.35 A 27 ILE CG2 C 13 17.101 0.35 A 27 ILE N N 15 120.094 0.15 A 28 ARG H H 1 7.479 0.02 A 28 ARG HA H 1 3.880 0.02 A 28 ARG HBx H 1 1.786 0.02 A 28 ARG HBy H 1 1.786 0.02 A 28 ARG HDx H 1 3.149 0.02 A 28 ARG HDy H 1 3.149 0.02 A 28 ARG HGy H 1 1.673 0.02 A 28 ARG HGx H 1 1.594 0.02 A 28 ARG C C 13 178.300 0.35 A 28 ARG CA C 13 59.670 0.35 A 28 ARG CB C 13 29.780 0.35 A 28 ARG CD C 13 43.468 0.35 A 28 ARG CG C 13 27.377 0.35 A 28 ARG N N 15 118.251 0.15 A 29 HIS H H 1 7.454 0.02 A 29 HIS HA H 1 4.310 0.02 A 29 HIS HBy H 1 3.119 0.02 A 29 HIS HBx H 1 2.834 0.02 A 29 HIS HD2 H 1 6.840 0.02 A 29 HIS HE1 H 1 8.240 0.02 A 29 HIS C C 13 178.000 0.35 A 29 HIS CA C 13 59.760 0.35 A 29 HIS CB C 13 28.490 0.35 A 29 HIS CD2 C 13 126.950 0.35 A 29 HIS CE1 C 13 139.910 0.35 A 29 HIS N N 15 117.415 0.15 A 30 LEU H H 1 8.981 0.02 A 30 LEU HA H 1 3.700 0.02 A 30 LEU HBy H 1 1.961 0.02 A 30 LEU HBx H 1 1.097 0.02 A 30 LEU HDx% H 1 1.185 0.02 A 30 LEU HDy% H 1 1.185 0.02 A 30 LEU HG H 1 0.928 0.02 A 30 LEU C C 13 177.700 0.35 A 30 LEU CA C 13 57.980 0.35 A 30 LEU CB C 13 41.980 0.35 A 30 LEU CDx C 13 25.144 0.35 A 30 LEU CDy C 13 25.144 0.35 A 30 LEU CG C 13 28.180 0.35 A 30 LEU N N 15 121.532 0.15 A 31 VAL H H 1 8.567 0.02 A 31 VAL HA H 1 3.900 0.02 A 31 VAL HB H 1 1.929 0.02 A 31 VAL HGx% H 1 0.908 0.02 A 31 VAL HGy% H 1 0.850 0.02 A 31 VAL C C 13 178.200 0.35 A 31 VAL CA C 13 65.490 0.35 A 31 VAL CB C 13 32.560 0.35 A 31 VAL CGy C 13 21.896 0.35 A 31 VAL CGx C 13 20.810 0.35 A 31 VAL N N 15 116.463 0.15 A 32 ASN H H 1 8.349 0.02 A 32 ASN HA H 1 4.620 0.02 A 32 ASN HBy H 1 2.976 0.02 A 32 ASN HBx H 1 2.721 0.02 A 32 ASN HD2y H 1 7.502 0.02 A 32 ASN HD2x H 1 7.002 0.02 A 32 ASN C C 13 176.200 0.35 A 32 ASN CA C 13 55.630 0.35 A 32 ASN CB C 13 38.950 0.35 A 32 ASN N N 15 115.686 0.15 A 32 ASN ND2 N 15 111.950 0.15 A 33 THR H H 1 7.802 0.02 A 33 THR HA H 1 4.290 0.02 A 33 THR HB H 1 3.815 0.02 A 33 THR HG2% H 1 1.106 0.02 A 33 THR C C 13 175.300 0.35 A 33 THR CA C 13 65.440 0.35 A 33 THR CB C 13 68.250 0.35 A 33 THR CG2 C 13 22.180 0.35 A 33 THR N N 15 115.630 0.15 A 34 GLU H H 1 7.482 0.02 A 34 GLU HA H 1 4.550 0.02 A 34 GLU HBx H 1 1.905 0.02 A 34 GLU HBy H 1 2.351 0.02 A 34 GLU HGy H 1 2.414 0.02 A 34 GLU HGx H 1 1.620 0.02 A 34 GLU C C 13 175.800 0.35 A 34 GLU CA C 13 55.840 0.35 A 34 GLU CB C 13 28.110 0.35 A 34 GLU CG C 13 33.756 0.35 A 34 GLU N N 15 115.614 0.15 A 35 LYS H H 1 6.668 0.02 A 35 LYS HA H 1 3.910 0.02 A 35 LYS HBy H 1 1.945 0.02 A 35 LYS HBx H 1 1.801 0.02 A 35 LYS HDx H 1 1.538 0.02 A 35 LYS HDy H 1 1.538 0.02 A 35 LYS HEx H 1 2.947 0.02 A 35 LYS HEy H 1 2.947 0.02 A 35 LYS HGx H 1 1.118 0.02 A 35 LYS HGy H 1 1.159 0.02 A 35 LYS C C 13 175.900 0.35 A 35 LYS CA C 13 56.510 0.35 A 35 LYS CB C 13 28.320 0.35 A 35 LYS CD C 13 28.800 0.35 A 35 LYS CG C 13 24.468 0.35 A 35 LYS N N 15 111.277 0.15 A 36 VAL H H 1 7.684 0.02 A 36 VAL HA H 1 3.860 0.02 A 36 VAL HB H 1 1.531 0.02 A 36 VAL HGx% H 1 0.410 0.02 A 36 VAL HGy% H 1 0.322 0.02 A 36 VAL C C 13 175.400 0.35 A 36 VAL CA C 13 60.880 0.35 A 36 VAL CB C 13 32.640 0.35 A 36 VAL CGy C 13 21.300 0.35 A 36 VAL CGx C 13 20.610 0.35 A 36 VAL N N 15 116.473 0.15 A 37 ASN H H 1 8.370 0.02 A 37 ASN HA H 1 4.660 0.02 A 37 ASN HBx H 1 2.832 0.02 A 37 ASN HBy H 1 2.832 0.02 A 37 ASN HD2y H 1 6.958 0.02 A 37 ASN CA C 13 51.540 0.35 A 37 ASN CB C 13 39.180 0.35 A 37 ASN N N 15 124.347 0.15 A 37 ASN ND2 N 15 113.369 0.15 A 38 PRO HA H 1 4.029 0.02 A 38 PRO HBx H 1 1.931 0.02 A 38 PRO HBy H 1 2.260 0.02 A 38 PRO HDy H 1 3.945 0.02 A 38 PRO HDx H 1 3.783 0.02 A 38 PRO HGx H 1 2.023 0.02 A 38 PRO HGy H 1 2.023 0.02 A 38 PRO C C 13 177.700 0.35 A 38 PRO CA C 13 65.040 0.35 A 38 PRO CB C 13 32.240 0.35 A 38 PRO CD C 13 51.009 0.35 A 38 PRO CG C 13 27.455 0.35 A 39 LEU H H 1 8.222 0.02 A 39 LEU HA H 1 4.280 0.02 A 39 LEU HBx H 1 1.639 0.02 A 39 LEU HBy H 1 1.639 0.02 A 39 LEU HDx% H 1 1.100 0.02 A 39 LEU HDy% H 1 0.894 0.02 A 39 LEU HG H 1 1.670 0.02 A 39 LEU C C 13 178.700 0.35 A 39 LEU CA C 13 56.200 0.35 A 39 LEU CB C 13 41.460 0.35 A 39 LEU CDx C 13 22.450 0.35 A 39 LEU CDy C 13 25.013 0.35 A 39 LEU CG C 13 27.294 0.35 A 39 LEU N N 15 115.591 0.15 A 40 SER H H 1 8.367 0.02 A 40 SER HA H 1 4.810 0.02 A 40 SER HBy H 1 4.328 0.02 A 40 SER HBx H 1 3.945 0.02 A 40 SER C C 13 174.700 0.35 A 40 SER CA C 13 57.710 0.35 A 40 SER CB C 13 64.410 0.35 A 40 SER N N 15 114.617 0.15 A 41 ILE H H 1 6.995 0.02 A 41 ILE HA H 1 3.857 0.02 A 41 ILE HB H 1 1.916 0.02 A 41 ILE HD1% H 1 0.807 0.02 A 41 ILE HG1y H 1 1.632 0.02 A 41 ILE HG1x H 1 1.277 0.02 A 41 ILE HG2% H 1 0.958 0.02 A 41 ILE C C 13 176.500 0.35 A 41 ILE CA C 13 65.300 0.35 A 41 ILE CB C 13 38.930 0.35 A 41 ILE CD1 C 13 14.713 0.35 A 41 ILE CG1 C 13 27.084 0.35 A 41 ILE CG2 C 13 18.146 0.35 A 41 ILE N N 15 116.163 0.15 A 42 ASP H H 1 8.382 0.02 A 42 ASP HA H 1 4.460 0.02 A 42 ASP HBy H 1 2.438 0.02 A 42 ASP HBx H 1 2.243 0.02 A 42 ASP C C 13 176.900 0.35 A 42 ASP CA C 13 56.740 0.35 A 42 ASP CB C 13 40.150 0.35 A 42 ASP N N 15 117.547 0.15 A 43 TYR H H 1 7.575 0.02 A 43 TYR HA H 1 4.270 0.02 A 43 TYR HBy H 1 2.720 0.02 A 43 TYR HBx H 1 2.507 0.02 A 43 TYR HDx H 1 6.963 0.02 A 43 TYR HDy H 1 6.963 0.02 A 43 TYR HEx H 1 6.805 0.02 A 43 TYR HEy H 1 6.805 0.02 A 43 TYR C C 13 176.600 0.35 A 43 TYR CA C 13 58.470 0.35 A 43 TYR CB C 13 37.800 0.35 A 43 TYR CDx C 13 132.800 0.35 A 43 TYR CDy C 13 132.800 0.35 A 43 TYR CEx C 13 118.220 0.35 A 43 TYR CEy C 13 118.220 0.35 A 43 TYR N N 15 115.352 0.15 A 44 TYR H H 1 8.010 0.02 A 44 TYR HA H 1 4.680 0.02 A 44 TYR HBy H 1 3.692 0.02 A 44 TYR HBx H 1 2.752 0.02 A 44 TYR HDx H 1 7.145 0.02 A 44 TYR HDy H 1 7.145 0.02 A 44 TYR HEx H 1 6.860 0.02 A 44 TYR HEy H 1 6.860 0.02 A 44 TYR C C 13 173.800 0.35 A 44 TYR CA C 13 59.280 0.35 A 44 TYR CB C 13 40.990 0.35 A 44 TYR CDx C 13 133.630 0.35 A 44 TYR CDy C 13 133.630 0.35 A 44 TYR CEx C 13 118.500 0.35 A 44 TYR CEy C 13 118.500 0.35 A 44 TYR N N 15 114.116 0.15 A 45 TYR H H 1 7.394 0.02 A 45 TYR HA H 1 5.860 0.02 A 45 TYR HBy H 1 3.217 0.02 A 45 TYR HBx H 1 2.944 0.02 A 45 TYR HDx H 1 6.996 0.02 A 45 TYR HDy H 1 6.996 0.02 A 45 TYR HEx H 1 6.810 0.02 A 45 TYR HEy H 1 6.810 0.02 A 45 TYR C C 13 173.000 0.35 A 45 TYR CA C 13 56.370 0.35 A 45 TYR CB C 13 43.510 0.35 A 45 TYR CDx C 13 133.890 0.35 A 45 TYR CDy C 13 133.890 0.35 A 45 TYR CEx C 13 118.300 0.35 A 45 TYR CEy C 13 118.300 0.35 A 45 TYR N N 15 115.085 0.15 A 46 GLN H H 1 8.634 0.02 A 46 GLN HA H 1 4.700 0.02 A 46 GLN HBy H 1 2.158 0.02 A 46 GLN HBx H 1 1.986 0.02 A 46 GLN HE2y H 1 7.499 0.02 A 46 GLN HE2x H 1 6.836 0.02 A 46 GLN HGx H 1 2.296 0.02 A 46 GLN HGy H 1 2.296 0.02 A 46 GLN C C 13 174.000 0.35 A 46 GLN CA C 13 53.990 0.35 A 46 GLN CB C 13 32.200 0.35 A 46 GLN N N 15 116.969 0.15 A 46 GLN NE2 N 15 111.017 0.15 A 47 SER H H 1 8.769 0.02 A 47 SER HA H 1 5.258 0.02 A 47 SER HBy H 1 3.621 0.02 A 47 SER HBx H 1 3.483 0.02 A 47 SER C C 13 172.800 0.35 A 47 SER CA C 13 56.730 0.35 A 47 SER CB C 13 66.240 0.35 A 47 SER N N 15 117.175 0.15 A 48 PHE H H 1 8.139 0.02 A 48 PHE HA H 1 4.820 0.02 A 48 PHE HBy H 1 3.186 0.02 A 48 PHE HBx H 1 2.864 0.02 A 48 PHE HDx H 1 6.880 0.02 A 48 PHE HDy H 1 6.880 0.02 A 48 PHE HEx H 1 7.090 0.02 A 48 PHE HEy H 1 7.090 0.02 A 48 PHE C C 13 173.800 0.35 A 48 PHE CA C 13 56.240 0.35 A 48 PHE CB C 13 40.770 0.35 A 48 PHE CDx C 13 132.000 0.35 A 48 PHE CDy C 13 132.000 0.35 A 48 PHE CEx C 13 132.690 0.35 A 48 PHE CEy C 13 132.690 0.35 A 48 PHE N N 15 118.823 0.15 A 49 SER H H 1 8.611 0.02 A 49 SER HA H 1 5.024 0.02 A 49 SER HBx H 1 3.734 0.02 A 49 SER HBy H 1 3.734 0.02 A 49 SER C C 13 174.100 0.35 A 49 SER CA C 13 57.930 0.35 A 49 SER CB C 13 64.440 0.35 A 49 SER N N 15 115.905 0.15 A 50 VAL H H 1 8.566 0.02 A 50 VAL HA H 1 4.370 0.02 A 50 VAL HB H 1 2.065 0.02 A 50 VAL HGx% H 1 0.908 0.02 A 50 VAL HGy% H 1 0.850 0.02 A 50 VAL C C 13 175.000 0.35 A 50 VAL CA C 13 61.020 0.35 A 50 VAL CB C 13 34.360 0.35 A 50 VAL CGy C 13 21.594 0.35 A 50 VAL CGx C 13 20.314 0.35 A 50 VAL N N 15 120.804 0.15 A 51 SER H H 1 8.501 0.02 A 51 SER HA H 1 4.580 0.02 A 51 SER HBx H 1 3.841 0.02 A 51 SER HBy H 1 3.841 0.02 A 51 SER C C 13 175.100 0.35 A 51 SER CA C 13 58.020 0.35 A 51 SER CB C 13 63.890 0.35 A 51 SER N N 15 118.356 0.15 A 52 LEU H H 1 8.423 0.02 A 52 LEU HA H 1 4.226 0.02 A 52 LEU HBx H 1 1.572 0.02 A 52 LEU HBy H 1 1.572 0.02 A 52 LEU HDx% H 1 0.802 0.02 A 52 LEU HDy% H 1 0.802 0.02 A 52 LEU HG H 1 1.723 0.02 A 52 LEU C C 13 177.600 0.35 A 52 LEU CA C 13 56.070 0.35 A 52 LEU CB C 13 42.170 0.35 A 52 LEU CDx C 13 23.600 0.35 A 52 LEU CDy C 13 23.600 0.35 A 52 LEU CG C 13 27.003 0.35 A 52 LEU N N 15 125.326 0.15 A 53 LYS H H 1 8.126 0.02 A 53 LYS HA H 1 4.194 0.02 A 53 LYS HBx H 1 1.728 0.02 A 53 LYS HBy H 1 1.728 0.02 A 53 LYS HDx H 1 1.625 0.02 A 53 LYS HDy H 1 1.625 0.02 A 53 LYS HGx H 1 1.344 0.02 A 53 LYS HGy H 1 1.344 0.02 A 53 LYS C C 13 176.400 0.35 A 53 LYS CA C 13 56.940 0.35 A 53 LYS CB C 13 32.910 0.35 A 53 LYS CG C 13 24.473 0.35 A 53 LYS N N 15 119.682 0.15 A 54 ASP H H 1 8.057 0.02 A 54 ASP HA H 1 4.616 0.02 A 54 ASP HBx H 1 2.578 0.02 A 54 ASP HBy H 1 2.711 0.02 A 54 ASP C C 13 176.700 0.35 A 54 ASP CA C 13 54.620 0.35 A 54 ASP CB C 13 41.400 0.35 A 54 ASP N N 15 120.232 0.15 A 55 VAL H H 1 7.869 0.02 A 55 VAL HA H 1 3.950 0.02 A 55 VAL HB H 1 2.102 0.02 A 55 VAL HGx% H 1 0.890 0.02 A 55 VAL HGy% H 1 0.870 0.02 A 55 VAL C C 13 176.400 0.35 A 55 VAL CA C 13 63.240 0.35 A 55 VAL CB C 13 32.290 0.35 A 55 VAL CGx C 13 20.840 0.35 A 55 VAL CGy C 13 20.840 0.35 A 55 VAL N N 15 119.586 0.15 A 56 ASN H H 1 8.308 0.02 A 56 ASN HA H 1 4.652 0.02 A 56 ASN HBx H 1 2.700 0.02 A 56 ASN HBy H 1 2.781 0.02 A 56 ASN HD2x H 1 6.876 0.02 A 56 ASN HD2y H 1 7.600 0.02 A 56 ASN C C 13 174.900 0.35 A 56 ASN CA C 13 53.660 0.35 A 56 ASN CB C 13 38.820 0.35 A 56 ASN N N 15 119.722 0.15 A 56 ASN ND2 N 15 112.966 0.15 A 57 LYS H H 1 7.912 0.02 A 57 LYS HA H 1 4.280 0.02 A 57 LYS HBx H 1 1.720 0.02 A 57 LYS HBy H 1 1.807 0.02 A 57 LYS HGx H 1 1.349 0.02 A 57 LYS HGy H 1 1.349 0.02 A 57 LYS C C 13 175.900 0.35 A 57 LYS CA C 13 56.310 0.35 A 57 LYS CB C 13 33.170 0.35 A 57 LYS CD C 13 29.085 0.35 A 57 LYS CE C 13 42.161 0.35 A 57 LYS CG C 13 24.725 0.35 A 57 LYS N N 15 120.734 0.15 A 58 ILE H H 1 8.031 0.02 A 58 ILE HA H 1 4.120 0.02 A 58 ILE HB H 1 1.831 0.02 A 58 ILE HD1% H 1 0.789 0.02 A 58 ILE HG1x H 1 1.119 0.02 A 58 ILE HG1y H 1 1.434 0.02 A 58 ILE HG2% H 1 0.842 0.02 A 58 ILE C C 13 175.100 0.35 A 58 ILE CA C 13 61.350 0.35 A 58 ILE CB C 13 38.510 0.35 A 58 ILE CD1 C 13 12.843 0.35 A 58 ILE CG1 C 13 27.183 0.35 A 58 ILE CG2 C 13 17.530 0.35 A 58 ILE N N 15 122.483 0.15 A 59 ILE H H 1 7.686 0.02 A 59 ILE HA H 1 4.020 0.02 A 59 ILE HB H 1 1.759 0.02 A 59 ILE HD1% H 1 0.790 0.02 A 59 ILE HG1x H 1 1.087 0.02 A 59 ILE HG1y H 1 1.371 0.02 A 59 ILE HG2% H 1 0.829 0.02 A 59 ILE CA C 13 62.860 0.35 A 59 ILE CB C 13 39.620 0.35 A 59 ILE CD1 C 13 13.195 0.35 A 59 ILE CG1 C 13 27.140 0.35 A 59 ILE CG2 C 13 17.700 0.35 A 59 ILE N N 15 129.371 0.15 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 22 THR HB A 22 THR HG2% 1.0 1.593 2.801 2 2 A 19 THR HB A 19 THR HA 1.0 1.806 3.700 3 3 A 19 THR HB A 19 THR HG2% 1.0 1.575 2.735 4 4 A 19 THR HB A 10 VAL HGy% 1.0 1.716 3.270 5 5 A 19 THR HB A 10 VAL HGx% 1.0 1.942 4.704 6 6 A 33 THR HB A 33 THR HA 1.0 1.879 4.155 7 7 A 33 THR HB A 33 THR HG2% 1.0 1.598 2.816 8 8 A 27 ILE HA A 28 ARG H 1.0 1.976 5.142 9 9 A 27 ILE HA A 30 LEU HBx 1.0 1.739 3.367 10 10 A 27 ILE HA A 27 ILE HB 1.0 1.859 4.017 11 11 A 27 ILE HA A 27 ILE HG1x 1.0 1.807 3.705 12 12 A 27 ILE HA A 31 VAL HGy% 1.0 1.816 3.756 13 13 A 27 ILE HA A 27 ILE HD1% 1.0 1.847 3.945 14 14 A 36 VAL H A 31 VAL HA 1.0 1.820 3.782 15 15 A 33 THR HA A 32 ASN HBx 1.0 1.999 6.223 16 16 A 41 ILE HA A 44 TYR HDy 1.0 1.966 4.992 17 16 A 41 ILE HA A 44 TYR HDx 1.0 1.966 4.992 18 17 A 41 ILE HA A 41 ILE HG1x 1.0 1.988 5.394 19 18 A 41 ILE HA A 41 ILE HG1y 1.0 1.979 5.191 20 19 A 33 THR HA A 33 THR HG2% 1.0 1.690 3.162 21 20 A 41 ILE HA A 36 VAL HGy% 1.0 1.858 4.010 22 21 A 38 PRO HA A 41 ILE HD1% 1.0 1.828 3.830 23 22 A 38 PRO HA A 38 PRO HBy 1.0 1.629 2.925 24 23 A 38 PRO HA A 38 PRO HBx 1.0 1.808 3.712 25 24 A 41 ILE HG1x A 38 PRO HA 1.0 1.831 3.845 26 25 A 41 ILE HG1y A 38 PRO HA 1.0 1.983 6.763 27 26 A 38 PRO HA A 41 ILE HG2% 1.0 1.593 2.799 28 27 A 40 SER HBx A 44 TYR HEy 1.0 1.992 5.504 29 27 A 40 SER HBx A 44 TYR HEx 1.0 1.992 5.504 30 28 A 40 SER HBx A 40 SER HBy 1.0 1.483 2.447 31 29 A 49 SER HBy A 50 VAL HGx% 1.0 1.992 6.510 32 29 A 50 VAL HGx% A 49 SER HBx 1.0 1.992 6.510 33 30 A 36 VAL HGy% A 40 SER HBx 1.0 1.990 5.430 34 31 A 50 VAL HA A 50 VAL HB 1.0 1.738 3.368 35 32 A 36 VAL H A 36 VAL HA 1.0 1.835 3.863 36 33 A 36 VAL HA A 36 VAL HB 1.0 1.730 3.330 37 34 A 36 VAL HGy% A 36 VAL HA 1.0 1.633 2.939 38 35 A 10 VAL HA A 21 ARG HA 1.0 1.884 4.190 39 36 A 10 VAL HA A 10 VAL HB 1.0 1.761 3.473 40 37 A 10 VAL HGy% A 10 VAL HA 1.0 1.820 3.778 41 38 A 24 LYS HA A 27 ILE HG1y 1.0 1.884 4.190 42 39 A 10 VAL HGx% A 10 VAL HA 1.0 1.850 3.958 43 40 A 29 HIS HA A 29 HIS HBx 1.0 1.919 4.467 44 41 A 29 HIS HA A 29 HIS HBy 1.0 1.741 3.383 45 42 A 19 THR HA A 19 THR HG2% 1.0 1.669 3.075 46 43 A 31 VAL HGy% A 28 ARG HA 1.0 1.944 4.716 47 44 A 28 ARG HA A 31 VAL H 1.0 1.963 4.957 48 45 A 19 THR HA A 20 PHE HDy 1.0 1.999 5.871 49 45 A 19 THR HA A 20 PHE HDx 1.0 1.999 5.871 50 46 A 32 ASN HBx A 29 HIS HA 1.0 1.967 4.997 51 47 A 29 HIS HA A 30 LEU HBy 1.0 1.993 6.475 52 48 A 19 THR HA A 10 VAL HGy% 1.0 1.961 4.929 53 49 A 15 ARG H A 15 ARG HA 1.0 1.907 4.373 54 50 A 43 TYR HA A 43 TYR HDy 1.0 1.940 4.668 55 50 A 43 TYR HA A 43 TYR HDx 1.0 1.940 4.668 56 51 A 16 CYS HA A 16 CYS HBx 1.0 1.781 3.571 57 52 A 25 GLN HA A 28 ARG HDy 1.0 1.875 4.123 58 53 A 43 TYR HA A 43 TYR HBx 1.0 1.751 3.429 59 54 A 43 TYR HA A 43 TYR HBy 1.0 1.871 4.093 60 55 A 25 GLN HA A 25 GLN HGx 1.0 1.795 3.647 61 55 A 25 GLN HA A 25 GLN HGy 1.0 1.795 3.647 62 56 A 15 ARG HA A 15 ARG HBx 1.0 1.695 3.181 63 57 A 23 LYS HA A 26 LEU HBx 1.0 1.681 3.125 64 58 A 23 LYS HA A 23 LYS HBx 1.0 1.823 3.799 65 59 A 23 LYS HA A 23 LYS HDx 1.0 1.882 4.176 66 59 A 23 LYS HA A 23 LYS HDy 1.0 1.882 4.176 67 60 A 23 LYS HA A 23 LYS HGy 1.0 1.829 3.831 68 61 A 43 TYR HA A 44 TYR H 1.0 1.994 5.556 69 62 A 15 ARG HA A 15 ARG HDx 1.0 1.976 5.154 70 63 A 49 SER HBx A 49 SER HA 1.0 1.798 3.658 71 63 A 49 SER HBy A 49 SER HA 1.0 1.798 3.658 72 64 A 30 LEU HA A 34 GLU HBy 1.0 1.705 3.221 73 65 A 30 LEU HBx A 30 LEU HA 1.0 1.835 3.869 74 66 A 30 LEU HA A 34 GLU HGy 1.0 1.874 4.116 75 67 A 30 LEU HA A 30 LEU HG 1.0 1.960 4.908 76 68 A 30 LEU HA A 36 VAL HGx% 1.0 1.997 5.707 77 69 A 50 VAL HGx% A 49 SER HA 1.0 1.991 5.471 78 70 A 10 VAL HGy% A 21 ARG HA 1.0 1.963 4.949 79 71 A 21 ARG HA A 21 ARG HDx 1.0 1.962 4.926 80 71 A 21 ARG HA A 21 ARG HDy 1.0 1.962 4.926 81 72 A 21 ARG HA A 21 ARG HBx 1.0 1.874 4.116 82 73 A 21 ARG HA A 21 ARG HBy 1.0 1.889 4.221 83 74 A 21 ARG HA A 21 ARG HGx 1.0 1.936 4.626 84 75 A 21 ARG HA A 21 ARG HGy 1.0 1.912 4.414 85 76 A 45 TYR H A 42 ASP HA 1.0 1.973 5.105 86 77 A 42 ASP HA A 45 TYR HDy 1.0 1.962 4.932 87 77 A 42 ASP HA A 45 TYR HDx 1.0 1.962 4.932 88 78 A 42 ASP HA A 45 TYR HEy 1.0 1.887 4.213 89 78 A 42 ASP HA A 45 TYR HEx 1.0 1.887 4.213 90 79 A 47 SER HA A 47 SER HBx 1.0 1.897 4.291 91 80 A 42 ASP HA A 42 ASP HBx 1.0 1.812 3.738 92 81 A 36 VAL H A 35 LYS HA 1.0 1.820 3.778 93 82 A 47 SER HA A 47 SER HBy 1.0 1.941 4.687 94 83 A 45 TYR HA A 45 TYR HBy 1.0 1.982 5.246 95 84 A 35 LYS HA A 35 LYS HBy 1.0 1.704 3.218 96 85 A 14 LEU HA A 14 LEU HG 1.0 1.937 4.643 97 86 A 18 LEU HA A 18 LEU HBx 1.0 1.865 4.055 98 87 A 18 LEU HA A 18 LEU HBy 1.0 1.705 3.225 99 88 A 14 LEU HA A 14 LEU HDx% 1.0 1.602 2.828 100 89 A 18 LEU HA A 18 LEU HDx% 1.0 1.571 2.723 101 90 A 8 GLU HA A 8 GLU HGx 1.0 1.821 3.785 102 90 A 8 GLU HA A 8 GLU HGy 1.0 1.821 3.785 103 91 A 39 LEU HA A 39 LEU HBx 1.0 1.657 3.031 104 91 A 39 LEU HA A 39 LEU HBy 1.0 1.657 3.031 105 92 A 39 LEU HA A 39 LEU HDy% 1.0 1.616 2.878 106 93 A 8 GLU HA A 8 GLU HBx 1.0 1.778 3.556 107 94 A 8 GLU HA A 8 GLU HBy 1.0 1.857 4.007 108 95 A 19 THR HA A 12 GLN HA 1.0 1.773 3.533 109 96 A 12 GLN HA A 12 GLN HGx 1.0 1.972 5.096 110 97 A 12 GLN HA A 12 GLN HBy 1.0 1.884 4.190 111 98 A 12 GLN HA A 12 GLN HGy 1.0 1.974 5.116 112 99 A 38 PRO HDx A 37 ASN HA 1.0 1.857 4.005 113 100 A 38 PRO HDx A 38 PRO HDy 1.0 1.420 2.272 114 101 A 38 PRO HDy A 37 ASN HBy 1.0 1.957 7.209 115 102 A 38 PRO HBy A 38 PRO HDy 1.0 1.990 5.460 116 103 A 38 PRO HBx A 38 PRO HDy 1.0 1.829 3.831 117 104 A 31 VAL HGy% A 38 PRO HDy 1.0 1.942 4.694 118 105 A 31 VAL HGy% A 38 PRO HDx 1.0 1.846 3.936 119 106 A 17 GLY HAy A 17 GLY HAx 1.0 1.507 2.523 120 107 A 17 GLY HAy A 12 GLN HBx 1.0 1.989 6.587 121 108 A 20 PHE HBy A 25 GLN HBx 1.0 1.997 5.715 122 109 A 20 PHE HDy A 20 PHE HBy 1.0 1.913 4.417 123 109 A 20 PHE HDx A 20 PHE HBy 1.0 1.913 4.417 124 110 A 20 PHE HBy A 26 LEU HBy 1.0 1.865 4.055 125 111 A 45 TYR HDy A 45 TYR HBx 1.0 1.973 5.095 126 111 A 45 TYR HDx A 45 TYR HBx 1.0 1.973 5.095 127 112 A 28 ARG HDy A 28 ARG HBy 1.0 1.681 3.121 128 113 A 28 ARG HDy A 28 ARG HGy 1.0 1.630 2.930 129 114 A 45 TYR HBx A 26 LEU HDy% 1.0 1.945 4.725 130 115 A 45 TYR HA A 45 TYR HBx 1.0 1.892 4.244 131 116 A 21 ARG HDx A 21 ARG HBx 1.0 1.918 4.462 132 116 A 21 ARG HDy A 21 ARG HBx 1.0 1.918 4.462 133 117 A 21 ARG HDx A 21 ARG HBy 1.0 1.917 4.455 134 117 A 21 ARG HDy A 21 ARG HBy 1.0 1.917 4.455 135 118 A 21 ARG HDx A 21 ARG HGy 1.0 1.731 3.335 136 118 A 21 ARG HDy A 21 ARG HGy 1.0 1.731 3.335 137 119 A 18 LEU HBx A 18 LEU HG 1.0 1.731 3.333 138 120 A 18 LEU HBy A 18 LEU HG 1.0 1.888 4.224 139 121 A 9 ARG HGx A 9 ARG HDx 1.0 1.777 3.555 140 121 A 9 ARG HDy A 9 ARG HGx 1.0 1.777 3.555 141 122 A 9 ARG HDx A 9 ARG HGy 1.0 1.751 3.425 142 122 A 9 ARG HDy A 9 ARG HGy 1.0 1.751 3.425 143 123 A 45 TYR HBx A 14 LEU HDy% 1.0 1.996 5.626 144 124 A 18 LEU HBx A 20 PHE HEy 1.0 1.995 6.403 145 124 A 18 LEU HBx A 20 PHE HEx 1.0 1.995 6.403 146 125 A 21 ARG HDx A 21 ARG HGx 1.0 1.733 3.343 147 125 A 21 ARG HDy A 21 ARG HGx 1.0 1.733 3.343 148 126 A 30 LEU HBx A 31 VAL H 1.0 1.913 4.419 149 127 A 27 ILE HA A 30 LEU HBy 1.0 1.996 6.360 150 128 A 30 LEU HBx A 30 LEU HBy 1.0 1.441 2.329 151 129 A 30 LEU HBy A 30 LEU HG 1.0 1.745 3.395 152 130 A 26 LEU HDy% A 11 TYR HBy 1.0 1.963 4.941 153 131 A 30 LEU HBy A 36 VAL HGx% 1.0 1.887 4.215 154 132 A 23 LYS HDy A 23 LYS HEx 1.0 1.672 3.088 155 132 A 23 LYS HDx A 23 LYS HEx 1.0 1.672 3.088 156 132 A 23 LYS HDx A 23 LYS HEy 1.0 1.672 3.088 157 132 A 23 LYS HDy A 23 LYS HEy 1.0 1.672 3.088 158 133 A 23 LYS HEx A 23 LYS HGx 1.0 1.935 4.617 159 133 A 23 LYS HEy A 23 LYS HGx 1.0 1.935 4.617 160 134 A 23 LYS HGy A 23 LYS HEx 1.0 1.709 3.239 161 134 A 23 LYS HGy A 23 LYS HEy 1.0 1.709 3.239 162 135 A 30 LEU HBx A 36 VAL HGx% 1.0 1.999 5.801 163 136 A 39 LEU HBy A 39 LEU HDy% 1.0 1.708 3.238 164 136 A 39 LEU HBx A 39 LEU HDy% 1.0 1.708 3.238 165 137 A 44 TYR HDy A 44 TYR HBx 1.0 1.945 4.731 166 137 A 44 TYR HDx A 44 TYR HBx 1.0 1.945 4.731 167 138 A 44 TYR HBx A 30 LEU HDx% 1.0 1.871 4.099 168 138 A 44 TYR HBx A 30 LEU HDy% 1.0 1.871 4.099 169 139 A 26 LEU HBy A 27 ILE H 1.0 1.997 6.295 170 140 A 48 PHE HBx A 48 PHE HDy 1.0 1.943 4.703 171 140 A 48 PHE HBx A 48 PHE HDx 1.0 1.943 4.703 172 141 A 48 PHE HDy A 48 PHE HBy 1.0 1.963 4.959 173 141 A 48 PHE HDx A 48 PHE HBy 1.0 1.963 4.959 174 142 A 26 LEU HBy A 26 LEU HA 1.0 1.796 3.652 175 143 A 26 LEU HBy A 26 LEU HDx% 1.0 1.764 3.488 176 144 A 26 LEU HBy A 26 LEU HDy% 1.0 1.822 3.792 177 145 A 42 ASP HA A 42 ASP HBy 1.0 1.982 5.256 178 146 A 32 ASN HBy A 32 ASN HA 1.0 1.947 4.755 179 147 A 41 ILE HA A 41 ILE HB 1.0 1.762 3.476 180 148 A 41 ILE HG1x A 41 ILE HB 1.0 1.854 3.986 181 149 A 44 TYR HDy A 43 TYR HBy 1.0 2.000 5.930 182 149 A 44 TYR HDx A 43 TYR HBy 1.0 2.000 5.930 183 150 A 43 TYR HDy A 43 TYR HBy 1.0 1.987 5.361 184 150 A 43 TYR HDx A 43 TYR HBy 1.0 1.987 5.361 185 151 A 44 TYR HEy A 43 TYR HBy 1.0 2.000 6.104 186 151 A 44 TYR HEx A 43 TYR HBy 1.0 2.000 6.104 187 152 A 43 TYR HDy A 43 TYR HBx 1.0 1.978 5.184 188 152 A 43 TYR HDx A 43 TYR HBx 1.0 1.978 5.184 189 153 A 27 ILE HB A 27 ILE H 1.0 1.729 3.329 190 154 A 27 ILE HB A 24 LYS HA 1.0 1.845 3.925 191 155 A 27 ILE HB A 27 ILE HG1x 1.0 1.830 3.836 192 156 A 50 VAL HGx% A 8 GLU HGy 1.0 1.941 4.677 193 156 A 50 VAL HGx% A 8 GLU HGx 1.0 1.941 4.677 194 157 A 25 GLN HGx A 25 GLN HBx 1.0 1.619 2.889 195 157 A 25 GLN HGy A 25 GLN HBx 1.0 1.619 2.889 196 158 A 34 GLU HGy A 30 LEU HDy% 1.0 1.940 4.674 197 158 A 34 GLU HGy A 30 LEU HDx% 1.0 1.940 4.674 198 159 A 12 GLN HBy A 12 GLN HGy 1.0 1.836 3.876 199 160 A 7 MET HGy A 7 MET HE% 1.0 1.852 3.966 200 161 A 31 VAL H A 31 VAL HB 1.0 1.739 3.369 201 162 A 31 VAL HA A 31 VAL HB 1.0 1.752 3.434 202 163 A 41 ILE HD1% A 38 PRO HBy 1.0 1.838 3.886 203 164 A 16 CYS HA A 16 CYS HBy 1.0 1.832 3.854 204 165 A 9 ARG HDx A 9 ARG HBx 1.0 1.900 4.308 205 165 A 9 ARG HDy A 9 ARG HBx 1.0 1.900 4.308 206 166 A 9 ARG HBy A 11 TYR HEy 1.0 1.998 6.242 207 166 A 9 ARG HBy A 11 TYR HEx 1.0 1.998 6.242 208 167 A 23 LYS HA A 23 LYS HBy 1.0 1.901 4.315 209 168 A 23 LYS HDx A 23 LYS HBy 1.0 1.817 3.763 210 168 A 23 LYS HDy A 23 LYS HBy 1.0 1.817 3.763 211 169 A 23 LYS HBx A 23 LYS HGy 1.0 1.871 4.095 212 170 A 13 CYS HBx A 30 LEU H 1.0 1.977 5.165 213 171 A 13 CYS HBx A 29 HIS HD2 1.0 1.804 3.692 214 172 A 20 PHE HEy A 13 CYS HBy 1.0 1.869 4.083 215 172 A 20 PHE HEx A 13 CYS HBy 1.0 1.869 4.083 216 173 A 26 LEU HDx% A 13 CYS HBy 1.0 1.921 4.489 217 174 A 27 ILE HA A 27 ILE HG1y 1.0 1.945 4.727 218 175 A 27 ILE HD1% A 27 ILE HG1y 1.0 1.548 2.648 219 176 A 25 GLN HBy A 20 PHE HBx 1.0 1.996 5.638 220 177 A 25 GLN HGx A 25 GLN HBy 1.0 1.694 3.178 221 177 A 25 GLN HGy A 25 GLN HBy 1.0 1.694 3.178 222 178 A 23 LYS HDx A 23 LYS HGx 1.0 1.778 3.560 223 178 A 23 LYS HDy A 23 LYS HGx 1.0 1.778 3.560 224 179 A 41 ILE HD1% A 23 LYS HDy 1.0 1.979 5.185 225 179 A 41 ILE HD1% A 23 LYS HDx 1.0 1.979 5.185 226 180 A 23 LYS HDx A 23 LYS HGy 1.0 1.795 3.643 227 180 A 23 LYS HDy A 23 LYS HGy 1.0 1.795 3.643 228 181 A 29 HIS HBy A 29 HIS HD2 1.0 1.999 5.803 229 182 A 29 HIS HBx A 29 HIS HD2 1.0 1.937 4.645 230 183 A 29 HIS HBx A 30 LEU HBy 1.0 1.941 7.427 231 184 A 29 HIS HBy A 30 LEU H 1.0 1.979 6.835 232 185 A 30 LEU HG A 45 TYR HDy 1.0 1.999 5.859 233 185 A 30 LEU HG A 45 TYR HDx 1.0 1.999 5.859 234 186 A 30 LEU HBx A 30 LEU HG 1.0 1.657 3.029 235 187 A 35 LYS HA A 35 LYS HBx 1.0 1.761 3.471 236 188 A 21 ARG HBx A 21 ARG HGx 1.0 1.793 3.631 237 189 A 21 ARG HBx A 21 ARG HGy 1.0 1.795 3.643 238 190 A 34 GLU HGy A 34 GLU HBx 1.0 1.896 4.280 239 191 A 28 ARG HDy A 28 ARG HGx 1.0 1.886 4.202 240 192 A 38 PRO HBy A 38 PRO HGx 1.0 1.786 3.598 241 192 A 38 PRO HBy A 38 PRO HGy 1.0 1.786 3.598 242 193 A 31 VAL HGy% A 38 PRO HGx 1.0 1.991 5.481 243 193 A 31 VAL HGy% A 38 PRO HGy 1.0 1.991 5.481 244 194 A 28 ARG H A 28 ARG HGx 1.0 1.999 5.961 245 195 A 45 TYR HA A 14 LEU HG 1.0 1.879 4.153 246 196 A 39 LEU HA A 39 LEU HG 1.0 1.959 4.901 247 197 A 18 LEU HA A 18 LEU HG 1.0 1.903 4.335 248 198 A 26 LEU HA A 26 LEU HG 1.0 1.929 4.567 249 199 A 14 LEU HG A 14 LEU HBx 1.0 1.617 2.883 250 199 A 14 LEU HG A 14 LEU HBy 1.0 1.617 2.883 251 200 A 39 LEU HDy% A 39 LEU HG 1.0 1.619 2.889 252 201 A 26 LEU HBx A 26 LEU HG 1.0 1.758 3.460 253 202 A 26 LEU HDx% A 26 LEU HG 1.0 1.668 3.070 254 203 A 26 LEU HDy% A 26 LEU HG 1.0 1.743 3.387 255 204 A 14 LEU HDy% A 46 GLN HGy 1.0 1.953 4.819 256 204 A 14 LEU HDy% A 46 GLN HGx 1.0 1.953 4.819 257 205 A 14 LEU HDy% A 46 GLN HBx 1.0 1.936 4.632 258 206 A 14 LEU HDy% A 14 LEU HBy 1.0 1.716 3.270 259 206 A 14 LEU HDy% A 14 LEU HBx 1.0 1.716 3.270 260 207 A 14 LEU HG A 14 LEU HDy% 1.0 1.673 3.093 261 208 A 30 LEU HA A 30 LEU HDy% 1.0 1.623 2.901 262 208 A 30 LEU HA A 30 LEU HDx% 1.0 1.623 2.901 263 209 A 18 LEU HG A 18 LEU HDy% 1.0 1.673 3.091 264 210 A 23 LYS HGy A 23 LYS HBy 1.0 1.863 4.047 265 211 A 36 VAL HGx% A 30 LEU HDx% 1.0 1.755 3.443 266 211 A 36 VAL HGx% A 30 LEU HDy% 1.0 1.755 3.443 267 212 A 30 LEU HBx A 30 LEU HDx% 1.0 1.729 3.327 268 212 A 30 LEU HBx A 30 LEU HDy% 1.0 1.729 3.327 269 213 A 18 LEU HBx A 18 LEU HDy% 1.0 1.693 3.173 270 214 A 30 LEU HG A 30 LEU HDx% 1.0 1.445 2.339 271 214 A 30 LEU HG A 30 LEU HDy% 1.0 1.445 2.339 272 215 A 26 LEU HDy% A 26 LEU H 1.0 2.000 6.020 273 216 A 26 LEU HDy% A 11 TYR HBx 1.0 1.768 3.506 274 217 A 26 LEU HDy% A 41 ILE HB 1.0 1.924 4.516 275 218 A 26 LEU HBx A 26 LEU HDy% 1.0 1.748 3.412 276 219 A 27 ILE HG1x A 26 LEU HDy% 1.0 1.987 5.367 277 220 A 23 LYS HDy A 26 LEU HDy% 1.0 1.886 4.210 278 220 A 23 LYS HDx A 26 LEU HDy% 1.0 1.886 4.210 279 221 A 26 LEU HDy% A 26 LEU HDx% 1.0 1.485 2.453 280 222 A 18 LEU HDx% A 18 LEU HG 1.0 1.468 2.406 281 223 A 45 TYR HBx A 26 LEU HDx% 1.0 1.740 3.374 282 224 A 26 LEU HA A 26 LEU HDx% 1.0 1.732 3.342 283 225 A 26 LEU HBx A 26 LEU HDx% 1.0 1.913 4.413 284 226 A 30 LEU HG A 26 LEU HDx% 1.0 1.634 2.944 285 227 A 39 LEU H A 39 LEU HDx% 1.0 1.768 3.510 286 228 A 19 THR HG2% A 10 VAL HGy% 1.0 1.545 2.637 287 229 A 19 THR HG2% A 20 PHE HDy 1.0 1.994 5.552 288 229 A 19 THR HG2% A 20 PHE HDx 1.0 1.994 5.552 289 230 A 19 THR HG2% A 12 GLN HA 1.0 1.920 4.480 290 231 A 19 THR HG2% A 18 LEU HA 1.0 1.994 5.548 291 232 A 22 THR HG2% A 25 GLN HGx 1.0 1.984 6.724 292 232 A 22 THR HG2% A 25 GLN HGy 1.0 1.984 6.724 293 233 A 19 THR HG2% A 12 GLN HBx 1.0 1.697 3.187 294 234 A 22 THR HG2% A 21 ARG HBy 1.0 1.939 4.659 295 235 A 10 VAL HGy% A 21 ARG HGx 1.0 1.989 5.409 296 236 A 10 VAL HGy% A 10 VAL HB 1.0 1.550 2.654 297 237 A 19 THR HG2% A 10 VAL HGx% 1.0 1.763 3.485 298 238 A 36 VAL HGy% A 44 TYR HBy 1.0 1.916 4.438 299 239 A 36 VAL HGy% A 34 GLU HBx 1.0 1.808 3.716 300 240 A 44 TYR HDx A 36 VAL HGy% 1.0 1.937 4.643 301 240 A 44 TYR HDy A 36 VAL HGy% 1.0 1.937 4.643 302 241 A 36 VAL HGy% A 44 TYR HBx 1.0 1.966 4.988 303 242 A 36 VAL HGy% A 35 LYS HGx 1.0 1.820 3.776 304 243 A 31 VAL HA A 31 VAL HGx% 1.0 1.664 3.058 305 244 A 31 VAL HB A 31 VAL HGx% 1.0 1.480 2.440 306 245 A 44 TYR HDy A 36 VAL HGx% 1.0 1.992 5.508 307 245 A 44 TYR HDx A 36 VAL HGx% 1.0 1.992 5.508 308 246 A 34 GLU HBy A 36 VAL HGx% 1.0 1.987 5.363 309 247 A 36 VAL HB A 36 VAL HGx% 1.0 1.531 2.595 310 248 A 10 VAL HGx% A 10 VAL HB 1.0 1.617 2.881 311 249 A 19 THR HG2% A 10 VAL HGx% 1.0 2.265 3.939 312 250 A 10 VAL HGx% A 50 VAL HGx% 1.0 1.445 2.343 313 251 A 10 VAL HGy% A 10 VAL HGx% 1.0 1.418 2.266 314 252 A 41 ILE HA A 41 ILE HG2% 1.0 1.697 3.191 315 253 A 41 ILE HG2% A 45 TYR HBx 1.0 1.952 4.814 316 254 A 41 ILE HG2% A 26 LEU HDy% 1.0 1.882 4.172 317 255 A 28 ARG H A 27 ILE HG2% 1.0 1.967 4.995 318 256 A 28 ARG HA A 27 ILE HG2% 1.0 1.928 4.550 319 257 A 24 LYS HA A 27 ILE HG2% 1.0 2.000 5.972 320 258 A 27 ILE HA A 27 ILE HG2% 1.0 1.702 3.208 321 259 A 7 MET HE% A 7 MET HBx 1.0 1.385 2.177 322 260 A 27 ILE HA A 41 ILE HD1% 1.0 1.964 4.956 323 261 A 41 ILE HD1% A 41 ILE HB 1.0 1.653 3.015 324 262 A 41 ILE HG1x A 41 ILE HD1% 1.0 1.556 2.674 325 263 A 27 ILE HG1x A 41 ILE HD1% 1.0 1.694 3.174 326 264 A 41 ILE HG1y A 41 ILE HD1% 1.0 1.549 2.655 327 265 A 27 ILE HD1% A 41 ILE HD1% 1.0 1.654 3.018 328 266 A 41 ILE HD1% A 26 LEU HDy% 1.0 1.851 3.969 329 267 A 27 ILE HB A 27 ILE HD1% 1.0 1.690 3.162 330 268 A 27 ILE HG1x A 27 ILE HD1% 1.0 1.488 2.462 331 269 A 15 ARG HA A 15 ARG HBy 1.0 1.980 5.210 332 270 A 15 ARG HA A 15 ARG HDy 1.0 1.937 4.643 333 271 A 40 SER HBy A 37 ASN HBy 1.0 1.862 4.034 334 272 A 36 VAL HGy% A 40 SER HBy 1.0 1.940 4.668 335 273 A 40 SER HBy A 41 ILE H 1.0 1.994 5.560 336 274 A 44 TYR HEy A 40 SER HBy 1.0 2.000 5.966 337 274 A 44 TYR HEx A 40 SER HBy 1.0 2.000 5.966 338 275 A 24 LYS HA A 24 LYS HBx 1.0 1.673 3.093 339 276 A 24 LYS HA A 24 LYS HGx 1.0 1.890 4.236 340 277 A 24 LYS HA A 24 LYS HGy 1.0 1.939 4.671 341 278 A 27 ILE HD1% A 24 LYS HA 1.0 1.867 4.071 342 279 A 30 LEU HBy A 30 LEU HA 1.0 1.786 3.598 343 280 A 23 LYS HA A 23 LYS HGx 1.0 1.873 4.111 344 281 A 23 LYS HA A 26 LEU HDy% 1.0 1.914 4.430 345 282 A 30 LEU HA A 34 GLU HBx 1.0 1.988 5.370 346 283 A 27 ILE HB A 27 ILE HG2% 1.0 1.478 2.436 347 284 A 41 ILE HG2% A 41 ILE HB 1.0 1.545 2.639 348 285 A 41 ILE HG1x A 41 ILE HG2% 1.0 1.719 3.281 349 286 A 41 ILE HG1y A 41 ILE HG2% 1.0 1.826 3.812 350 287 A 30 LEU HG A 44 TYR HBx 1.0 1.998 5.718 351 288 A 38 PRO HDx A 38 PRO HGx 1.0 1.815 3.751 352 288 A 38 PRO HDx A 38 PRO HGy 1.0 1.815 3.751 353 289 A 41 ILE HA A 36 VAL HGx% 1.0 1.791 3.621 354 290 A 20 PHE HDy A 20 PHE HBx 1.0 1.901 4.319 355 290 A 20 PHE HDx A 20 PHE HBx 1.0 1.901 4.319 356 291 A 20 PHE HBy A 20 PHE HBx 1.0 1.491 2.473 357 292 A 25 GLN HBx A 20 PHE HBx 1.0 1.775 3.539 358 293 A 26 LEU HBy A 20 PHE HBx 1.0 2.000 5.934 359 294 A 44 TYR HBx A 44 TYR HBy 1.0 1.517 2.551 360 295 A 44 TYR HDy A 44 TYR HBy 1.0 1.925 4.519 361 295 A 44 TYR HDx A 44 TYR HBy 1.0 1.925 4.519 362 296 A 30 LEU HDy% A 44 TYR HBy 1.0 1.824 3.806 363 296 A 30 LEU HDx% A 44 TYR HBy 1.0 1.824 3.806 364 297 A 30 LEU HG A 44 TYR HBy 1.0 1.919 4.469 365 298 A 26 LEU HBx A 26 LEU HBy 1.0 1.439 2.325 366 299 A 26 LEU HBx A 11 TYR HBy 1.0 1.976 6.904 367 300 A 26 LEU HBx A 27 ILE H 1.0 1.814 3.748 368 301 A 11 TYR HBx A 11 TYR HDy 1.0 1.936 4.638 369 301 A 11 TYR HBx A 11 TYR HDx 1.0 1.936 4.638 370 302 A 26 LEU HBy A 11 TYR HBy 1.0 1.862 4.038 371 303 A 30 LEU HDy% A 34 GLU HGx 1.0 1.812 3.734 372 303 A 30 LEU HDx% A 34 GLU HGx 1.0 1.812 3.734 373 304 A 34 GLU HBx A 34 GLU HGx 1.0 1.787 3.605 374 305 A 30 LEU HA A 34 GLU HGx 1.0 1.973 5.095 375 306 A 12 GLN HA A 12 GLN HBx 1.0 1.843 3.913 376 307 A 27 ILE HG1x A 27 ILE HG1y 1.0 1.344 2.074 377 308 A 27 ILE HG1x A 27 ILE HG2% 1.0 1.641 2.971 378 309 A 23 LYS HBx A 23 LYS HGx 1.0 1.861 4.033 379 310 A 35 LYS HA A 35 LYS HGx 1.0 1.947 4.747 380 311 A 23 LYS HGy A 23 LYS HGx 1.0 1.430 2.300 381 312 A 34 GLU HBy A 34 GLU HGy 1.0 1.776 3.544 382 313 A 34 GLU HBy A 34 GLU HBx 1.0 1.555 2.669 383 314 A 20 PHE HDy A 11 TYR HBx 1.0 1.942 7.416 384 314 A 20 PHE HDx A 11 TYR HBx 1.0 1.942 7.416 385 315 A 45 TYR HBy A 26 LEU HDy% 1.0 1.924 4.524 386 316 A 45 TYR HBy A 26 LEU HDx% 1.0 1.976 5.150 387 317 A 30 LEU HG A 45 TYR HBy 1.0 1.886 4.202 388 318 A 15 ARG HDy A 15 ARG HGx 1.0 1.785 3.591 389 318 A 15 ARG HDy A 15 ARG HGy 1.0 1.785 3.591 390 319 A 50 VAL HGx% A 51 SER HBy 1.0 1.991 6.539 391 319 A 50 VAL HGx% A 51 SER HBx 1.0 1.991 6.539 392 320 A 26 LEU HA A 30 LEU H 1.0 1.968 5.022 393 321 A 34 GLU HBy A 34 GLU HA 1.0 1.880 4.158 394 322 A 34 GLU HBx A 34 GLU HA 1.0 1.758 3.462 395 323 A 26 LEU HBy A 11 TYR HBx 1.0 1.958 4.884 396 324 A 11 TYR HBy A 26 LEU HDx% 1.0 1.986 5.354 397 325 A 26 LEU HDx% A 11 TYR HBx 1.0 1.876 4.132 398 326 A 24 LYS HA A 24 LYS HBy 1.0 1.902 4.330 399 327 A 38 PRO HBy A 38 PRO HDx 1.0 2.000 5.880 400 328 A 9 ARG HDx A 9 ARG HBy 1.0 1.912 4.406 401 328 A 9 ARG HDy A 9 ARG HBy 1.0 1.912 4.406 402 329 A 36 VAL HGx% A 34 GLU HBx 1.0 1.999 5.843 403 330 A 41 ILE HG1y A 41 ILE HB 1.0 1.791 3.621 404 331 A 31 VAL HGy% A 31 VAL HB 1.0 1.485 2.457 405 332 A 31 VAL HGy% A 38 PRO HBy 1.0 1.911 4.397 406 333 A 14 LEU HDx% A 46 GLN HBy 1.0 1.886 4.202 407 334 A 14 LEU HDx% A 46 GLN HBx 1.0 1.812 3.736 408 335 A 14 LEU HDx% A 46 GLN HGy 1.0 1.862 4.034 409 335 A 14 LEU HDx% A 46 GLN HGx 1.0 1.862 4.034 410 336 A 41 ILE HG1x A 41 ILE HG1y 1.0 1.329 2.037 411 337 A 36 VAL HGy% A 36 VAL HB 1.0 1.564 2.700 412 338 A 38 PRO HDy A 38 PRO HGx 1.0 1.736 3.356 413 338 A 38 PRO HDy A 38 PRO HGy 1.0 1.736 3.356 414 339 A 45 TYR HDy A 45 TYR HBy 1.0 1.943 4.703 415 339 A 45 TYR HDx A 45 TYR HBy 1.0 1.943 4.703 416 340 A 45 TYR HDy A 11 TYR HBx 1.0 1.949 7.335 417 340 A 45 TYR HDx A 11 TYR HBx 1.0 1.949 7.335 418 341 A 41 ILE HD1% A 45 TYR HDy 1.0 1.735 9.175 419 341 A 41 ILE HD1% A 45 TYR HDx 1.0 1.735 9.175 420 342 A 45 TYR HDx A 26 LEU HDx% 1.0 1.960 7.166 421 342 A 45 TYR HDy A 26 LEU HDx% 1.0 1.960 7.166 422 343 A 45 TYR HDx A 26 LEU HDy% 1.0 1.997 5.721 423 343 A 45 TYR HDy A 26 LEU HDy% 1.0 1.997 5.721 424 344 A 44 TYR HDy A 44 TYR HA 1.0 1.980 6.822 425 344 A 44 TYR HDx A 44 TYR HA 1.0 1.980 6.822 426 345 A 44 TYR HDy A 30 LEU HG 1.0 1.944 7.398 427 345 A 44 TYR HDx A 30 LEU HG 1.0 1.944 7.398 428 346 A 11 TYR HDy A 11 TYR HA 1.0 1.987 6.667 429 346 A 11 TYR HDx A 11 TYR HA 1.0 1.987 6.667 430 347 A 10 VAL HA A 11 TYR HDy 1.0 1.800 8.726 431 347 A 10 VAL HA A 11 TYR HDx 1.0 1.800 8.726 432 348 A 47 SER HBx A 11 TYR HDy 1.0 1.928 7.596 433 348 A 47 SER HBx A 11 TYR HDx 1.0 1.928 7.596 434 349 A 47 SER HBy A 11 TYR HDy 1.0 1.232 11.724 435 349 A 47 SER HBy A 11 TYR HDx 1.0 1.232 11.724 436 350 A 11 TYR HBy A 11 TYR HDy 1.0 1.922 4.496 437 350 A 11 TYR HBy A 11 TYR HDx 1.0 1.922 4.496 438 351 A 26 LEU HBy A 11 TYR HDy 1.0 1.912 7.762 439 351 A 26 LEU HBy A 11 TYR HDx 1.0 1.912 7.762 440 352 A 26 LEU HDy% A 11 TYR HDy 1.0 1.875 8.125 441 352 A 26 LEU HDy% A 11 TYR HDx 1.0 1.875 8.125 442 353 A 48 PHE HDy A 48 PHE HA 1.0 0.610 14.058 443 353 A 48 PHE HDx A 48 PHE HA 1.0 0.610 14.058 444 354 A 20 PHE HDy A 20 PHE HA 1.0 1.833 8.475 445 354 A 20 PHE HDx A 20 PHE HA 1.0 1.833 8.475 446 355 A 20 PHE HDx A 25 GLN HGx 1.0 1.505 10.473 447 355 A 20 PHE HDy A 25 GLN HGx 1.0 1.505 10.473 448 355 A 20 PHE HDy A 25 GLN HGy 1.0 1.505 10.473 449 355 A 20 PHE HDx A 25 GLN HGy 1.0 1.505 10.473 450 356 A 20 PHE HDy A 25 GLN HBy 1.0 1.998 6.204 451 356 A 20 PHE HDx A 25 GLN HBy 1.0 1.998 6.204 452 357 A 20 PHE HDy A 26 LEU HBy 1.0 1.989 6.607 453 357 A 20 PHE HDx A 26 LEU HBy 1.0 1.989 6.607 454 358 A 20 PHE HDx A 26 LEU HDx% 1.0 1.996 5.626 455 358 A 20 PHE HDy A 26 LEU HDx% 1.0 1.996 5.626 456 359 A 10 VAL HGx% A 48 PHE HDx 1.0 1.967 7.067 457 359 A 10 VAL HGx% A 48 PHE HDy 1.0 1.967 7.067 458 360 A 20 PHE HEy A 18 LEU HDy% 1.0 1.902 7.868 459 360 A 20 PHE HEx A 18 LEU HDy% 1.0 1.902 7.868 460 361 A 20 PHE HEy A 26 LEU HA 1.0 1.998 6.232 461 361 A 20 PHE HEx A 26 LEU HA 1.0 1.998 6.232 462 362 A 20 PHE HEx A 26 LEU HDx% 1.0 1.926 7.606 463 362 A 20 PHE HEy A 26 LEU HDx% 1.0 1.926 7.606 464 363 A 29 HIS HD2 A 34 GLU HBx 1.0 1.975 6.927 465 364 A 30 LEU HDy% A 29 HIS HD2 1.0 1.806 3.700 466 364 A 30 LEU HDx% A 29 HIS HD2 1.0 1.806 3.700 467 365 A 30 LEU HG A 29 HIS HD2 1.0 1.429 10.845 468 366 A 26 LEU HDx% A 29 HIS HD2 1.0 1.826 8.540 469 367 A 45 TYR HEy A 47 SER HBy 1.0 1.988 6.630 470 367 A 45 TYR HEx A 47 SER HBy 1.0 1.988 6.630 471 368 A 45 TYR HEy A 45 TYR HBx 1.0 0.752 13.566 472 368 A 45 TYR HEx A 45 TYR HBx 1.0 0.752 13.566 473 369 A 43 TYR HBy A 43 TYR HEy 1.0 1.755 9.045 474 369 A 43 TYR HBy A 43 TYR HEx 1.0 1.755 9.045 475 370 A 45 TYR HEy A 42 ASP HBx 1.0 1.993 6.481 476 370 A 45 TYR HEx A 42 ASP HBx 1.0 1.993 6.481 477 371 A 45 TYR HEy A 42 ASP HBy 1.0 1.753 9.061 478 371 A 45 TYR HEx A 42 ASP HBy 1.0 1.753 9.061 479 372 A 41 ILE HG1x A 45 TYR HEy 1.0 1.984 6.734 480 372 A 41 ILE HG1x A 45 TYR HEx 1.0 1.984 6.734 481 373 A 44 TYR HEy A 36 VAL HB 1.0 1.901 7.873 482 373 A 44 TYR HEx A 36 VAL HB 1.0 1.901 7.873 483 374 A 41 ILE HG2% A 45 TYR HEx 1.0 1.974 5.120 484 374 A 41 ILE HG2% A 45 TYR HEy 1.0 1.974 5.120 485 375 A 41 ILE HD1% A 45 TYR HEy 1.0 1.928 4.548 486 375 A 41 ILE HD1% A 45 TYR HEx 1.0 1.928 4.548 487 376 A 11 TYR HEy A 22 THR HA 1.0 1.985 6.705 488 376 A 11 TYR HEx A 22 THR HA 1.0 1.985 6.705 489 377 A 22 THR HB A 11 TYR HEy 1.0 1.351 11.203 490 377 A 22 THR HB A 11 TYR HEx 1.0 1.351 11.203 491 378 A 9 ARG HDy A 11 TYR HEy 1.0 1.551 10.239 492 378 A 9 ARG HDx A 11 TYR HEy 1.0 1.551 10.239 493 378 A 9 ARG HDx A 11 TYR HEx 1.0 1.551 10.239 494 378 A 9 ARG HDy A 11 TYR HEx 1.0 1.551 10.239 495 379 A 22 THR HG2% A 11 TYR HEy 1.0 1.875 8.123 496 379 A 22 THR HG2% A 11 TYR HEx 1.0 1.875 8.123 497 380 A 11 TYR HEy A 23 LYS HBy 1.0 1.964 7.118 498 380 A 11 TYR HEx A 23 LYS HBy 1.0 1.964 7.118 499 381 A 44 TYR HDx A 44 TYR HEy 1.0 1.841 3.903 500 381 A 44 TYR HDy A 44 TYR HEy 1.0 1.841 3.903 501 381 A 44 TYR HDy A 44 TYR HEx 1.0 1.841 3.903 502 381 A 44 TYR HDx A 44 TYR HEx 1.0 1.841 3.903 503 382 A 36 VAL HGy% A 44 TYR HEx 1.0 1.950 4.786 504 382 A 36 VAL HGy% A 44 TYR HEy 1.0 1.950 4.786 505 383 A 45 TYR HDy A 45 TYR HEy 1.0 1.774 3.536 506 383 A 45 TYR HDy A 45 TYR HEx 1.0 1.774 3.536 507 383 A 45 TYR HDx A 45 TYR HEx 1.0 1.774 3.536 508 383 A 45 TYR HDx A 45 TYR HEy 1.0 1.774 3.536 509 384 A 44 TYR HBy A 14 LEU H 1.0 1.983 6.773 510 385 A 14 LEU H A 46 GLN H 1.0 1.996 6.368 511 386 A 45 TYR HA A 14 LEU H 1.0 1.907 4.369 512 387 A 14 LEU H A 13 CYS HA 1.0 1.629 2.923 513 388 A 14 LEU HA A 14 LEU H 1.0 1.869 4.079 514 389 A 13 CYS HBy A 14 LEU H 1.0 1.992 6.512 515 390 A 14 LEU HBx A 14 LEU H 1.0 1.813 3.739 516 390 A 14 LEU HBy A 14 LEU H 1.0 1.813 3.739 517 391 A 14 LEU HG A 14 LEU H 1.0 1.749 3.417 518 392 A 30 LEU HDy% A 14 LEU H 1.0 1.959 4.893 519 392 A 30 LEU HDx% A 14 LEU H 1.0 1.959 4.893 520 393 A 45 TYR HBx A 14 LEU H 1.0 2.000 5.976 521 394 A 13 CYS H A 17 GLY H 1.0 1.997 5.699 522 395 A 20 PHE HEy A 13 CYS H 1.0 1.963 7.125 523 395 A 20 PHE HEx A 13 CYS H 1.0 1.963 7.125 524 396 A 12 GLN HA A 13 CYS H 1.0 1.631 2.935 525 397 A 19 THR HA A 13 CYS H 1.0 1.971 5.067 526 398 A 13 CYS HA A 13 CYS H 1.0 1.872 4.108 527 399 A 13 CYS HBy A 13 CYS H 1.0 1.703 3.215 528 400 A 12 GLN HBx A 13 CYS H 1.0 1.996 5.644 529 401 A 12 GLN HBy A 13 CYS H 1.0 1.843 3.917 530 402 A 18 LEU HBx A 13 CYS H 1.0 2.000 5.914 531 403 A 19 THR HG2% A 13 CYS H 1.0 2.000 6.024 532 404 A 18 LEU HBy A 13 CYS H 1.0 1.970 7.016 533 405 A 15 ARG H A 13 CYS H 1.0 2.000 6.114 534 406 A 13 CYS H A 19 THR H 1.0 1.911 7.773 535 407 A 20 PHE HDy A 13 CYS H 1.0 1.932 7.536 536 407 A 20 PHE HDx A 13 CYS H 1.0 1.932 7.536 537 408 A 19 THR HB A 13 CYS H 1.0 1.803 8.713 538 409 A 17 GLY HAy A 13 CYS H 1.0 1.998 5.750 539 410 A 26 LEU HDx% A 13 CYS H 1.0 1.976 5.144 540 411 A 13 CYS HA A 18 LEU H 1.0 2.000 5.958 541 412 A 15 ARG HGx A 18 LEU H 1.0 1.984 5.312 542 412 A 15 ARG HGy A 18 LEU H 1.0 1.984 5.312 543 413 A 19 THR H A 18 LEU H 1.0 2.000 5.924 544 414 A 20 PHE HEy A 18 LEU H 1.0 1.912 7.766 545 414 A 20 PHE HEx A 18 LEU H 1.0 1.912 7.766 546 415 A 16 CYS HA A 18 LEU H 1.0 1.877 8.103 547 416 A 16 CYS HBy A 18 LEU H 1.0 1.842 8.410 548 417 A 13 CYS H A 18 LEU H 1.0 1.935 4.625 549 418 A 17 GLY H A 18 LEU H 1.0 1.654 3.020 550 419 A 17 GLY HAx A 18 LEU H 1.0 1.962 4.930 551 420 A 18 LEU HA A 18 LEU H 1.0 1.702 3.212 552 421 A 17 GLY HAy A 18 LEU H 1.0 1.945 4.731 553 422 A 13 CYS HBx A 18 LEU H 1.0 0.000 6.000 554 423 A 16 CYS HBx A 18 LEU H 1.0 1.976 5.140 555 424 A 13 CYS HBy A 18 LEU H 1.0 1.909 4.385 556 425 A 18 LEU HG A 18 LEU H 1.0 1.640 2.964 557 426 A 18 LEU HBx A 18 LEU H 1.0 1.563 2.699 558 427 A 18 LEU HBy A 18 LEU H 1.0 1.924 4.518 559 428 A 36 VAL HA A 37 ASN H 1.0 1.720 3.286 560 429 A 37 ASN HBy A 37 ASN H 1.0 1.677 3.109 561 430 A 36 VAL HB A 37 ASN H 1.0 1.960 4.920 562 431 A 36 VAL HGy% A 37 ASN H 1.0 1.976 5.136 563 432 A 45 TYR HDy A 12 GLN H 1.0 1.992 6.492 564 432 A 45 TYR HDx A 12 GLN H 1.0 1.992 6.492 565 433 A 12 GLN HA A 12 GLN H 1.0 1.881 4.163 566 434 A 45 TYR HBx A 12 GLN H 1.0 1.998 6.246 567 435 A 13 CYS HBy A 12 GLN H 1.0 1.957 7.209 568 436 A 13 CYS H A 12 GLN H 1.0 1.994 6.464 569 437 A 46 GLN H A 12 GLN H 1.0 1.939 4.657 570 438 A 12 GLN H A 11 TYR H 1.0 1.988 6.618 571 439 A 20 PHE HDy A 12 GLN H 1.0 1.901 7.879 572 439 A 20 PHE HDx A 12 GLN H 1.0 1.901 7.879 573 440 A 20 PHE HEy A 12 GLN H 1.0 1.980 6.824 574 440 A 20 PHE HEx A 12 GLN H 1.0 1.980 6.824 575 441 A 11 TYR HA A 12 GLN H 1.0 1.693 3.175 576 442 A 11 TYR HBx A 12 GLN H 1.0 1.948 4.758 577 443 A 12 GLN HGx A 12 GLN H 1.0 1.853 3.979 578 444 A 12 GLN HBy A 12 GLN H 1.0 1.995 6.387 579 445 A 12 GLN HGy A 12 GLN H 1.0 1.833 3.851 580 446 A 19 THR HG2% A 12 GLN H 1.0 1.996 6.340 581 447 A 26 LEU HDx% A 12 GLN H 1.0 1.999 5.783 582 448 A 26 LEU HDy% A 12 GLN H 1.0 1.996 6.352 583 449 A 8 GLU HA A 9 ARG H 1.0 1.621 2.895 584 450 A 9 ARG HDx A 9 ARG H 1.0 1.963 4.955 585 450 A 9 ARG HDy A 9 ARG H 1.0 1.963 4.955 586 451 A 8 GLU HGx A 9 ARG H 1.0 2.000 5.872 587 451 A 8 GLU HGy A 9 ARG H 1.0 2.000 5.872 588 452 A 8 GLU HBx A 9 ARG H 1.0 1.993 5.531 589 453 A 8 GLU HBy A 9 ARG H 1.0 1.979 5.203 590 454 A 9 ARG HBx A 9 ARG H 1.0 1.763 3.481 591 455 A 9 ARG HGx A 9 ARG H 1.0 1.996 5.634 592 456 A 9 ARG HGy A 9 ARG H 1.0 1.965 4.977 593 457 A 50 VAL HGx% A 9 ARG H 1.0 1.991 6.549 594 458 A 27 ILE H A 26 LEU H 1.0 1.731 3.335 595 459 A 26 LEU H A 25 GLN H 1.0 1.702 3.212 596 460 A 30 LEU H A 29 HIS HD2 1.0 1.998 5.708 597 461 A 26 LEU H A 20 PHE HA 1.0 1.973 6.957 598 462 A 25 GLN HA A 26 LEU H 1.0 1.941 4.689 599 463 A 24 LYS HA A 26 LEU H 1.0 1.999 5.873 600 464 A 20 PHE HBx A 26 LEU H 1.0 1.972 5.076 601 465 A 26 LEU HA A 26 LEU H 1.0 1.756 3.448 602 466 A 20 PHE HBy A 26 LEU H 1.0 1.948 4.758 603 467 A 25 GLN HGx A 26 LEU H 1.0 1.995 6.407 604 467 A 25 GLN HGy A 26 LEU H 1.0 1.995 6.407 605 468 A 25 GLN HBx A 26 LEU H 1.0 1.734 3.346 606 469 A 26 LEU HBx A 26 LEU H 1.0 1.599 2.821 607 470 A 26 LEU HBy A 26 LEU H 1.0 1.758 3.460 608 471 A 27 ILE HG1y A 26 LEU H 1.0 1.998 6.250 609 472 A 26 LEU HDx% A 26 LEU H 1.0 1.997 5.723 610 473 A 31 VAL H A 30 LEU H 1.0 1.739 3.373 611 474 A 29 HIS HA A 30 LEU H 1.0 1.975 5.133 612 475 A 30 LEU HA A 30 LEU H 1.0 1.815 3.755 613 476 A 29 HIS HBx A 30 LEU H 1.0 1.703 3.213 614 477 A 34 GLU HBy A 30 LEU H 1.0 1.914 7.746 615 478 A 30 LEU HBx A 30 LEU H 1.0 1.545 2.639 616 479 A 8 GLU HBy A 8 GLU H 1.0 1.998 5.706 617 480 A 30 LEU HDy% A 30 LEU H 1.0 1.788 3.604 618 480 A 30 LEU HDx% A 30 LEU H 1.0 1.788 3.604 619 481 A 26 LEU HDx% A 30 LEU H 1.0 1.948 4.758 620 482 A 45 TYR HDy A 30 LEU H 1.0 1.942 7.420 621 482 A 45 TYR HDx A 30 LEU H 1.0 1.942 7.420 622 483 A 8 GLU HGx A 8 GLU H 1.0 1.997 5.691 623 483 A 8 GLU HGy A 8 GLU H 1.0 1.997 5.691 624 484 A 50 VAL H A 10 VAL H 1.0 1.988 6.626 625 485 A 8 GLU HBy A 50 VAL H 1.0 1.999 5.803 626 486 A 49 SER HA A 50 VAL H 1.0 1.730 3.330 627 487 A 50 VAL HA A 50 VAL H 1.0 1.913 4.413 628 488 A 50 VAL HB A 50 VAL H 1.0 1.893 4.255 629 489 A 15 ARG H A 13 CYS HBx 1.0 1.988 5.376 630 490 A 8 GLU HGx A 50 VAL H 1.0 1.985 6.709 631 490 A 8 GLU HGy A 50 VAL H 1.0 1.985 6.709 632 491 A 15 ARG H A 14 LEU HDx% 1.0 1.999 6.159 633 492 A 15 ARG H A 14 LEU H 1.0 1.734 3.352 634 493 A 15 ARG H A 13 CYS HA 1.0 1.979 5.199 635 494 A 15 ARG H A 30 LEU HA 1.0 1.979 6.857 636 495 A 15 ARG H A 15 ARG HBx 1.0 1.944 4.716 637 496 A 15 ARG H A 15 ARG HBy 1.0 1.594 2.802 638 497 A 15 ARG H A 14 LEU HG 1.0 1.998 6.272 639 498 A 15 ARG H A 30 LEU HDx% 1.0 1.993 5.541 640 498 A 15 ARG H A 30 LEU HDy% 1.0 1.993 5.541 641 499 A 15 ARG H A 18 LEU H 1.0 1.840 8.422 642 500 A 27 ILE HG1y A 27 ILE H 1.0 1.563 2.695 643 501 A 27 ILE HA A 27 ILE H 1.0 1.799 3.663 644 502 A 27 ILE H A 26 LEU HA 1.0 1.934 4.608 645 503 A 27 ILE HG1x A 27 ILE H 1.0 1.927 4.543 646 504 A 27 ILE H A 26 LEU HG 1.0 1.847 3.943 647 505 A 27 ILE HD1% A 27 ILE H 1.0 1.848 3.950 648 506 A 26 LEU HDy% A 27 ILE H 1.0 1.984 5.320 649 507 A 19 THR HB A 11 TYR H 1.0 1.983 6.757 650 508 A 11 TYR H A 20 PHE H 1.0 1.824 3.804 651 509 A 20 PHE HEy A 11 TYR H 1.0 0.000 6.000 652 509 A 20 PHE HEx A 11 TYR H 1.0 0.000 6.000 653 510 A 11 TYR HDy A 11 TYR H 1.0 1.962 4.930 654 510 A 11 TYR HDx A 11 TYR H 1.0 1.962 4.930 655 511 A 19 THR HA A 11 TYR H 1.0 1.955 7.235 656 512 A 11 TYR HA A 11 TYR H 1.0 1.905 4.355 657 513 A 21 ARG HA A 11 TYR H 1.0 1.963 4.951 658 514 A 10 VAL HA A 11 TYR H 1.0 1.621 2.897 659 515 A 11 TYR HBy A 11 TYR H 1.0 1.728 3.320 660 516 A 10 VAL HB A 11 TYR H 1.0 1.670 3.082 661 517 A 26 LEU HBy A 11 TYR H 1.0 1.968 7.046 662 518 A 19 THR HG2% A 11 TYR H 1.0 1.999 6.079 663 519 A 10 VAL HGy% A 11 TYR H 1.0 1.859 4.017 664 520 A 10 VAL HGx% A 11 TYR H 1.0 1.992 5.508 665 521 A 26 LEU HDy% A 11 TYR H 1.0 1.963 7.121 666 522 A 45 TYR HDy A 48 PHE H 1.0 1.937 7.481 667 522 A 45 TYR HDx A 48 PHE H 1.0 1.937 7.481 668 523 A 48 PHE HBx A 48 PHE H 1.0 1.994 5.562 669 524 A 10 VAL HGx% A 48 PHE H 1.0 0.000 6.000 670 525 A 48 PHE HDy A 48 PHE H 1.0 1.982 6.774 671 525 A 48 PHE HDx A 48 PHE H 1.0 1.982 6.774 672 526 A 47 SER HA A 48 PHE H 1.0 1.780 3.570 673 527 A 47 SER HBx A 48 PHE H 1.0 1.973 5.103 674 528 A 47 SER HBy A 48 PHE H 1.0 1.984 5.296 675 529 A 48 PHE HBy A 48 PHE H 1.0 1.996 5.636 676 530 A 10 VAL H A 48 PHE H 1.0 1.941 4.679 677 531 A 12 GLN HBx A 20 PHE H 1.0 1.983 6.737 678 532 A 11 TYR H A 10 VAL H 1.0 1.994 5.576 679 533 A 20 PHE HDy A 20 PHE H 1.0 1.974 5.116 680 533 A 20 PHE HDx A 20 PHE H 1.0 1.974 5.116 681 534 A 11 TYR HDy A 20 PHE H 1.0 1.791 8.795 682 534 A 11 TYR HDx A 20 PHE H 1.0 1.791 8.795 683 535 A 19 THR HA A 20 PHE H 1.0 1.620 2.892 684 536 A 49 SER HA A 10 VAL H 1.0 1.938 4.644 685 537 A 11 TYR HA A 20 PHE H 1.0 1.977 6.893 686 538 A 48 PHE HA A 10 VAL H 1.0 1.993 5.531 687 539 A 20 PHE HA A 20 PHE H 1.0 1.862 4.038 688 540 A 10 VAL HA A 10 VAL H 1.0 1.844 3.920 689 541 A 10 VAL HA A 20 PHE H 1.0 1.900 7.884 690 542 A 19 THR HB A 20 PHE H 1.0 1.796 3.650 691 543 A 49 SER HBx A 10 VAL H 1.0 1.803 8.709 692 543 A 49 SER HBy A 10 VAL H 1.0 1.803 8.709 693 544 A 47 SER HBx A 10 VAL H 1.0 1.969 7.031 694 545 A 20 PHE HBx A 20 PHE H 1.0 1.991 5.473 695 546 A 9 ARG HDx A 10 VAL H 1.0 1.927 7.611 696 546 A 9 ARG HDy A 10 VAL H 1.0 1.927 7.611 697 547 A 20 PHE HBy A 20 PHE H 1.0 1.793 3.637 698 548 A 28 ARG H A 27 ILE HB 1.0 1.675 3.099 699 549 A 10 VAL HB A 20 PHE H 1.0 1.989 5.415 700 550 A 10 VAL HB A 10 VAL H 1.0 1.887 4.213 701 551 A 9 ARG HBy A 10 VAL H 1.0 1.867 4.073 702 552 A 28 ARG H A 27 ILE HG1x 1.0 1.998 6.224 703 553 A 9 ARG HGx A 10 VAL H 1.0 1.996 5.658 704 554 A 9 ARG HGy A 10 VAL H 1.0 1.955 7.245 705 555 A 26 LEU HBy A 20 PHE H 1.0 1.991 6.543 706 556 A 19 THR HG2% A 20 PHE H 1.0 1.947 4.749 707 557 A 50 VAL HGx% A 10 VAL H 1.0 1.945 4.731 708 558 A 10 VAL HGy% A 20 PHE H 1.0 1.953 4.823 709 559 A 10 VAL HGy% A 10 VAL H 1.0 1.836 3.878 710 560 A 28 ARG H A 27 ILE HD1% 1.0 2.000 6.084 711 561 A 10 VAL HGx% A 10 VAL H 1.0 1.701 3.205 712 562 A 28 ARG H A 27 ILE H 1.0 1.703 3.215 713 563 A 28 ARG H A 26 LEU H 1.0 1.953 4.827 714 564 A 28 ARG H A 28 ARG HA 1.0 1.708 3.234 715 565 A 28 ARG H A 24 LYS HA 1.0 1.942 4.704 716 566 A 28 ARG H A 28 ARG HBy 1.0 1.531 2.595 717 567 A 10 VAL HGx% A 20 PHE H 1.0 1.926 7.620 718 568 A 28 ARG H A 31 VAL HGy% 1.0 1.985 5.325 719 569 A 44 TYR H A 42 ASP H 1.0 2.000 5.964 720 570 A 25 GLN H A 24 LYS H 1.0 1.999 5.813 721 571 A 45 TYR HEy A 42 ASP H 1.0 1.999 6.181 722 571 A 45 TYR HEx A 42 ASP H 1.0 1.999 6.181 723 572 A 22 THR HB A 24 LYS H 1.0 1.940 4.670 724 573 A 41 ILE HA A 42 ASP H 1.0 1.931 4.585 725 574 A 24 LYS HA A 24 LYS H 1.0 1.947 4.747 726 575 A 42 ASP HBy A 42 ASP H 1.0 1.699 3.195 727 576 A 41 ILE HB A 42 ASP H 1.0 1.961 4.923 728 577 A 24 LYS HBx A 24 LYS H 1.0 1.991 5.475 729 578 A 24 LYS HBy A 24 LYS H 1.0 1.838 3.884 730 579 A 24 LYS HGx A 24 LYS H 1.0 1.986 5.344 731 580 A 41 ILE HG1y A 42 ASP H 1.0 1.794 3.636 732 581 A 30 LEU H A 29 HIS H 1.0 1.721 3.293 733 582 A 42 ASP H A 43 TYR H 1.0 1.773 3.531 734 583 A 44 TYR HDy A 42 ASP H 1.0 1.904 7.842 735 583 A 44 TYR HDx A 42 ASP H 1.0 1.904 7.842 736 584 A 41 ILE H A 42 ASP H 1.0 1.817 3.767 737 585 A 29 HIS HD2 A 29 HIS H 1.0 1.923 7.653 738 586 A 42 ASP HA A 42 ASP H 1.0 1.780 3.570 739 587 A 29 HIS HA A 29 HIS H 1.0 1.791 3.625 740 588 A 29 HIS HBx A 29 HIS H 1.0 1.672 3.092 741 589 A 29 HIS HBy A 29 HIS H 1.0 1.651 3.009 742 590 A 42 ASP HBx A 42 ASP H 1.0 1.814 3.748 743 591 A 25 GLN HBx A 29 HIS H 1.0 1.977 6.879 744 592 A 41 ILE HG1x A 42 ASP H 1.0 1.927 4.543 745 593 A 41 ILE HG2% A 42 ASP H 1.0 1.990 5.452 746 594 A 41 ILE HD1% A 42 ASP H 1.0 1.978 6.866 747 595 A 36 VAL HGy% A 42 ASP H 1.0 1.988 6.624 748 596 A 22 THR HB A 25 GLN H 1.0 1.963 4.949 749 597 A 25 GLN HA A 25 GLN H 1.0 1.776 3.550 750 598 A 24 LYS HA A 25 GLN H 1.0 1.951 4.797 751 599 A 25 GLN HGx A 25 GLN H 1.0 1.714 3.264 752 599 A 25 GLN HGy A 25 GLN H 1.0 1.714 3.264 753 600 A 25 GLN HBx A 25 GLN H 1.0 1.619 2.889 754 601 A 24 LYS HBx A 25 GLN H 1.0 1.868 4.076 755 602 A 24 LYS HBy A 25 GLN H 1.0 1.725 3.305 756 603 A 24 LYS HGx A 25 GLN H 1.0 1.975 6.913 757 604 A 45 TYR H A 46 GLN H 1.0 1.948 7.342 758 605 A 45 TYR HDy A 46 GLN H 1.0 1.969 7.011 759 605 A 45 TYR HDx A 46 GLN H 1.0 1.969 7.011 760 606 A 45 TYR HA A 46 GLN H 1.0 1.832 3.854 761 607 A 46 GLN H A 46 GLN HA 1.0 1.894 4.258 762 608 A 20 PHE HBx A 25 GLN H 1.0 1.910 7.780 763 609 A 45 TYR HBx A 46 GLN H 1.0 1.951 4.795 764 610 A 45 TYR HBy A 46 GLN H 1.0 1.998 5.740 765 611 A 14 LEU HG A 46 GLN H 1.0 1.996 5.646 766 612 A 14 LEU HDy% A 46 GLN H 1.0 1.956 4.858 767 613 A 46 GLN HGx A 46 GLN H 1.0 1.998 5.742 768 613 A 46 GLN HGy A 46 GLN H 1.0 1.998 5.742 769 614 A 46 GLN HBx A 46 GLN H 1.0 1.914 4.430 770 615 A 36 VAL H A 33 THR H 1.0 1.999 6.213 771 616 A 31 VAL H A 33 THR H 1.0 1.988 6.654 772 617 A 36 VAL H A 31 VAL H 1.0 1.988 6.632 773 618 A 36 VAL H A 34 GLU HA 1.0 1.939 7.459 774 619 A 29 HIS HA A 31 VAL H 1.0 1.976 6.902 775 620 A 31 VAL HA A 31 VAL H 1.0 1.745 3.399 776 621 A 36 VAL H A 30 LEU HA 1.0 1.997 5.665 777 622 A 27 ILE HA A 31 VAL H 1.0 1.962 4.944 778 623 A 36 VAL H A 34 GLU HBx 1.0 1.971 5.053 779 624 A 36 VAL HB A 31 VAL H 1.0 1.981 6.801 780 625 A 36 VAL H A 36 VAL HB 1.0 1.634 2.942 781 626 A 31 VAL H A 30 LEU HBy 1.0 1.936 4.628 782 627 A 31 VAL HGy% A 31 VAL H 1.0 1.608 2.852 783 628 A 31 VAL HGy% A 36 VAL H 1.0 1.987 5.353 784 629 A 31 VAL H A 26 LEU HDx% 1.0 1.991 6.539 785 630 A 31 VAL H A 36 VAL HGx% 1.0 1.998 5.712 786 631 A 36 VAL H A 36 VAL HGx% 1.0 1.804 3.692 787 632 A 36 VAL H A 37 ASN H 1.0 1.992 6.532 788 633 A 44 TYR HDy A 41 ILE H 1.0 1.936 7.496 789 633 A 44 TYR HDx A 41 ILE H 1.0 1.936 7.496 790 634 A 36 VAL H A 44 TYR HEy 1.0 1.906 7.824 791 634 A 36 VAL H A 44 TYR HEx 1.0 1.906 7.824 792 635 A 31 VAL H A 30 LEU HA 1.0 1.958 4.884 793 636 A 36 VAL H A 34 GLU HBy 1.0 1.945 4.727 794 637 A 38 PRO HA A 41 ILE H 1.0 1.998 5.768 795 638 A 41 ILE HA A 41 ILE H 1.0 1.840 3.898 796 639 A 41 ILE HB A 41 ILE H 1.0 1.939 4.665 797 640 A 41 ILE HG1x A 41 ILE H 1.0 1.687 3.149 798 641 A 41 ILE HG2% A 41 ILE H 1.0 1.797 3.657 799 642 A 36 VAL HGy% A 41 ILE H 1.0 1.984 6.712 800 643 A 36 VAL HGx% A 41 ILE H 1.0 2.000 5.934 801 644 A 41 ILE HG1y A 41 ILE H 1.0 1.899 4.303 802 645 A 41 ILE HD1% A 41 ILE H 1.0 1.980 6.826 803 646 A 30 LEU H A 32 ASN H 1.0 2.000 6.152 804 647 A 31 VAL H A 32 ASN H 1.0 1.693 3.173 805 648 A 33 THR H A 32 ASN H 1.0 1.799 3.661 806 649 A 36 VAL H A 34 GLU H 1.0 1.984 5.314 807 650 A 32 ASN HA A 32 ASN H 1.0 1.838 3.884 808 651 A 29 HIS HBx A 32 ASN H 1.0 1.949 7.319 809 652 A 32 ASN HBx A 32 ASN H 1.0 1.703 3.217 810 653 A 32 ASN HBy A 32 ASN H 1.0 1.775 3.543 811 654 A 32 ASN HBy A 33 THR H 1.0 1.989 5.419 812 655 A 31 VAL HB A 32 ASN H 1.0 1.690 3.158 813 656 A 28 ARG HBy A 32 ASN H 1.0 1.995 6.411 814 657 A 30 LEU HG A 34 GLU H 1.0 1.922 7.664 815 658 A 39 LEU H A 40 SER H 1.0 1.711 3.245 816 659 A 33 THR H A 34 GLU H 1.0 1.802 3.680 817 660 A 39 LEU H A 41 ILE H 1.0 1.953 7.277 818 661 A 29 HIS HD2 A 34 GLU H 1.0 1.967 7.059 819 662 A 34 GLU H A 35 LYS H 1.0 1.684 3.136 820 663 A 32 ASN H A 35 LYS H 1.0 1.988 6.644 821 664 A 37 ASN HA A 39 LEU H 1.0 1.966 7.074 822 665 A 32 ASN HA A 33 THR H 1.0 2.000 5.986 823 666 A 34 GLU HA A 34 GLU H 1.0 1.828 3.830 824 667 A 39 LEU HA A 39 LEU H 1.0 1.827 3.819 825 668 A 33 THR HA A 33 THR H 1.0 1.896 4.284 826 669 A 33 THR HA A 34 GLU H 1.0 1.972 5.076 827 670 A 38 PRO HA A 39 LEU H 1.0 1.919 4.469 828 671 A 38 PRO HDx A 39 LEU H 1.0 1.976 5.142 829 672 A 33 THR HB A 33 THR H 1.0 1.864 4.048 830 673 A 33 THR HB A 34 GLU H 1.0 1.672 3.088 831 674 A 38 PRO HDy A 39 LEU H 1.0 1.892 4.246 832 675 A 30 LEU HA A 34 GLU H 1.0 1.812 3.734 833 676 A 32 ASN HBx A 33 THR H 1.0 1.984 5.302 834 677 A 34 GLU HGx A 34 GLU H 1.0 1.940 4.670 835 678 A 34 GLU HBy A 34 GLU H 1.0 1.697 3.187 836 679 A 38 PRO HBy A 39 LEU H 1.0 1.970 6.996 837 680 A 38 PRO HGx A 39 LEU H 1.0 1.968 5.030 838 680 A 38 PRO HGy A 39 LEU H 1.0 1.968 5.030 839 681 A 38 PRO HBx A 39 LEU H 1.0 1.847 3.943 840 682 A 34 GLU HBx A 34 GLU H 1.0 1.974 5.110 841 683 A 39 LEU HBx A 39 LEU H 1.0 1.568 2.716 842 683 A 39 LEU HBy A 39 LEU H 1.0 1.568 2.716 843 684 A 34 GLU HGy A 34 GLU H 1.0 1.672 3.088 844 685 A 33 THR HG2% A 33 THR H 1.0 1.999 5.813 845 686 A 33 THR HG2% A 34 GLU H 1.0 1.923 4.501 846 687 A 39 LEU HDy% A 39 LEU H 1.0 1.962 4.936 847 688 A 36 VAL HGx% A 34 GLU H 1.0 1.967 7.065 848 689 A 15 ARG H A 16 CYS H 1.0 1.660 3.040 849 690 A 14 LEU H A 16 CYS H 1.0 1.970 6.996 850 691 A 32 ASN H A 34 GLU H 1.0 1.899 7.901 851 692 A 44 TYR HDy A 43 TYR H 1.0 1.999 6.195 852 692 A 44 TYR HDx A 43 TYR H 1.0 1.999 6.195 853 693 A 43 TYR HDy A 43 TYR H 1.0 1.982 5.266 854 693 A 43 TYR HDx A 43 TYR H 1.0 1.982 5.266 855 694 A 16 CYS HA A 16 CYS H 1.0 1.836 3.872 856 695 A 42 ASP HA A 43 TYR H 1.0 1.951 4.797 857 696 A 15 ARG HA A 16 CYS H 1.0 1.950 4.796 858 697 A 43 TYR HA A 43 TYR H 1.0 1.840 3.902 859 698 A 41 ILE HA A 43 TYR H 1.0 1.991 5.475 860 699 A 17 GLY HAy A 16 CYS H 1.0 1.990 6.558 861 700 A 13 CYS HBx A 16 CYS H 1.0 1.955 4.851 862 701 A 16 CYS HBx A 16 CYS H 1.0 1.911 4.401 863 702 A 37 ASN HBy A 39 LEU H 1.0 1.970 5.040 864 703 A 43 TYR HBx A 43 TYR H 1.0 1.895 4.273 865 704 A 42 ASP HBx A 43 TYR H 1.0 1.918 4.458 866 705 A 43 TYR HBy A 43 TYR H 1.0 1.696 3.186 867 706 A 42 ASP HBy A 43 TYR H 1.0 1.936 4.638 868 707 A 15 ARG HBx A 16 CYS H 1.0 1.991 5.477 869 708 A 15 ARG HBy A 16 CYS H 1.0 1.659 3.037 870 709 A 16 CYS HBy A 16 CYS H 1.0 1.930 4.576 871 710 A 45 TYR H A 14 LEU HBx 1.0 1.972 6.980 872 710 A 45 TYR H A 14 LEU HBy 1.0 1.972 6.980 873 711 A 44 TYR HDy A 45 TYR H 1.0 1.950 7.322 874 711 A 44 TYR HDx A 45 TYR H 1.0 1.950 7.322 875 712 A 45 TYR H A 45 TYR HDy 1.0 1.996 5.654 876 712 A 45 TYR H A 45 TYR HDx 1.0 1.996 5.654 877 713 A 44 TYR HEy A 45 TYR H 1.0 0.000 6.000 878 713 A 44 TYR HEx A 45 TYR H 1.0 0.000 6.000 879 714 A 45 TYR H A 45 TYR HA 1.0 1.928 4.558 880 715 A 45 TYR H A 44 TYR HA 1.0 1.925 4.523 881 716 A 43 TYR HA A 45 TYR H 1.0 1.994 6.440 882 717 A 40 SER HBy A 43 TYR H 1.0 1.944 7.390 883 718 A 44 TYR HBx A 43 TYR H 1.0 1.552 10.238 884 719 A 45 TYR H A 44 TYR HBx 1.0 1.978 6.866 885 720 A 45 TYR H A 45 TYR HBx 1.0 1.992 5.514 886 721 A 45 TYR H A 45 TYR HBy 1.0 1.914 4.422 887 722 A 45 TYR H A 44 TYR HBy 1.0 1.943 4.711 888 723 A 45 TYR H A 14 LEU HG 1.0 2.000 6.056 889 724 A 45 TYR H A 30 LEU HDy% 1.0 1.958 7.202 890 724 A 45 TYR H A 30 LEU HDx% 1.0 1.958 7.202 891 725 A 30 LEU HG A 45 TYR H 1.0 1.994 6.438 892 726 A 45 TYR H A 14 LEU HDy% 1.0 1.936 4.628 893 727 A 44 TYR HEy A 40 SER H 1.0 1.989 6.595 894 727 A 44 TYR HEx A 40 SER H 1.0 1.989 6.595 895 728 A 41 ILE H A 40 SER H 1.0 1.672 3.090 896 729 A 40 SER HBy A 40 SER H 1.0 1.799 3.667 897 730 A 37 ASN HBy A 40 SER H 1.0 1.891 4.237 898 731 A 41 ILE HG1y A 40 SER H 1.0 1.508 10.462 899 732 A 36 VAL HGy% A 40 SER H 1.0 1.993 6.471 900 733 A 44 TYR H A 43 TYR H 1.0 1.714 3.260 901 734 A 44 TYR H A 45 TYR H 1.0 1.719 3.283 902 735 A 44 TYR HDy A 44 TYR H 1.0 1.966 4.978 903 735 A 44 TYR HDx A 44 TYR H 1.0 1.966 4.978 904 736 A 44 TYR HEy A 44 TYR H 1.0 1.999 5.823 905 736 A 44 TYR HEx A 44 TYR H 1.0 1.999 5.823 906 737 A 44 TYR H A 44 TYR HA 1.0 1.860 4.020 907 738 A 44 TYR H A 42 ASP HA 1.0 1.997 5.683 908 739 A 44 TYR H A 44 TYR HBx 1.0 1.990 5.434 909 740 A 44 TYR H A 44 TYR HBy 1.0 1.722 3.296 910 741 A 43 TYR HBy A 44 TYR H 1.0 1.926 4.538 911 742 A 44 TYR H A 42 ASP HBy 1.0 1.854 8.306 912 743 A 44 TYR H A 30 LEU HDx% 1.0 1.993 6.493 913 743 A 44 TYR H A 30 LEU HDy% 1.0 1.993 6.493 914 744 A 36 VAL HGy% A 44 TYR H 1.0 1.988 6.626 915 745 A 44 TYR H A 14 LEU HDy% 1.0 1.981 6.801 916 746 A 15 ARG H A 17 GLY H 1.0 1.921 4.495 917 747 A 16 CYS HA A 17 GLY H 1.0 1.961 4.927 918 748 A 17 GLY HAx A 17 GLY H 1.0 1.771 3.523 919 749 A 17 GLY HAy A 17 GLY H 1.0 1.604 2.838 920 750 A 13 CYS HBx A 17 GLY H 1.0 1.959 4.897 921 751 A 16 CYS HBx A 17 GLY H 1.0 1.944 4.718 922 752 A 16 CYS HBy A 17 GLY H 1.0 1.960 7.168 923 753 A 13 CYS HBy A 17 GLY H 1.0 1.972 5.088 924 754 A 12 GLN HBx A 17 GLY H 1.0 1.935 7.509 925 755 A 12 GLN HBy A 17 GLY H 1.0 1.995 6.411 926 756 A 15 ARG HGx A 17 GLY H 1.0 1.896 7.922 927 756 A 15 ARG HGy A 17 GLY H 1.0 1.896 7.922 928 757 A 15 ARG HBx A 17 GLY H 1.0 1.729 9.211 929 758 A 18 LEU HBx A 17 GLY H 1.0 1.884 8.040 930 759 A 33 THR H A 35 LYS H 1.0 1.983 5.279 931 760 A 36 VAL H A 35 LYS H 1.0 1.737 3.359 932 761 A 34 GLU HA A 35 LYS H 1.0 1.921 4.497 933 762 A 35 LYS HA A 35 LYS H 1.0 1.553 2.665 934 763 A 30 LEU HA A 35 LYS H 1.0 1.999 5.805 935 764 A 34 GLU HBy A 35 LYS H 1.0 1.954 4.834 936 765 A 46 GLN HGx A 46 GLN HE2y 1.0 1.995 6.429 937 765 A 46 GLN HGy A 46 GLN HE2y 1.0 1.995 6.429 938 766 A 46 GLN HBx A 46 GLN HE2y 1.0 1.996 6.324 939 767 A 35 LYS HBy A 35 LYS H 1.0 1.887 4.213 940 768 A 14 LEU HDx% A 46 GLN HE2y 1.0 1.997 6.313 941 769 A 36 VAL HGx% A 35 LYS H 1.0 1.990 6.568 942 770 A 33 THR HA A 35 LYS H 1.0 1.977 5.167 943 771 A 46 GLN HGx A 46 GLN HE2x 1.0 1.854 3.990 944 771 A 46 GLN HGy A 46 GLN HE2x 1.0 1.854 3.990 945 772 A 17 GLY HAx A 12 GLN HE2x 1.0 1.998 5.726 946 773 A 12 GLN HBy A 12 GLN HE2x 1.0 2.000 5.956 947 774 A 20 PHE HDy A 21 ARG H 1.0 1.970 7.010 948 774 A 20 PHE HDx A 21 ARG H 1.0 1.970 7.010 949 775 A 12 GLN HA A 12 GLN HE2x 1.0 1.621 9.861 950 776 A 18 LEU HBx A 19 THR H 1.0 1.998 5.730 951 777 A 19 THR HG2% A 19 THR H 1.0 1.821 3.787 952 778 A 18 LEU HBy A 19 THR H 1.0 1.815 3.749 953 779 A 18 LEU HDx% A 19 THR H 1.0 1.854 3.984 954 780 A 19 THR HA A 19 THR H 1.0 1.846 3.934 955 781 A 18 LEU HA A 19 THR H 1.0 1.517 2.549 956 782 A 19 THR HB A 19 THR H 1.0 1.899 4.305 957 783 A 22 THR HA A 22 THR H 1.0 1.845 3.931 958 784 A 20 PHE HA A 22 THR H 1.0 1.983 5.261 959 785 A 21 ARG HA A 22 THR H 1.0 1.923 4.513 960 786 A 20 PHE HBx A 22 THR H 1.0 1.892 4.252 961 787 A 20 PHE HBy A 22 THR H 1.0 1.943 4.707 962 788 A 25 GLN HGx A 22 THR H 1.0 1.992 6.528 963 788 A 25 GLN HGy A 22 THR H 1.0 1.992 6.528 964 789 A 21 ARG HBy A 22 THR H 1.0 1.989 5.417 965 790 A 21 ARG HGx A 22 THR H 1.0 1.811 8.651 966 791 A 22 THR HG2% A 22 THR H 1.0 1.804 3.690 967 792 A 21 ARG HGy A 22 THR H 1.0 1.911 7.773 968 793 A 27 ILE H A 25 GLN H 1.0 1.997 5.691 969 794 A 9 ARG H A 9 ARG HA 1.0 1.927 4.543 970 795 A 21 ARG HA A 10 VAL H 1.0 1.997 5.699 971 796 A 12 GLN HA A 20 PHE H 1.0 1.953 4.819 972 797 A 20 PHE HEy A 20 PHE H 1.0 1.987 6.659 973 797 A 20 PHE HEx A 20 PHE H 1.0 1.987 6.659 974 798 A 28 ARG HDy A 25 GLN H 1.0 1.993 6.483 975 799 A 26 LEU HA A 25 GLN H 1.0 1.996 5.634 976 800 A 26 LEU HBy A 25 GLN H 1.0 1.973 6.943 977 801 A 26 LEU H A 29 HIS H 1.0 1.981 5.241 978 802 A 30 LEU HBy A 30 LEU H 1.0 1.978 5.172 979 803 A 33 THR HB A 35 LYS H 1.0 1.985 5.305 980 804 A 34 GLU HGx A 35 LYS H 1.0 1.993 6.497 981 805 A 36 VAL H A 35 LYS HBy 1.0 2.000 6.054 982 806 A 36 VAL H A 36 VAL HGy% 1.0 1.751 3.429 983 807 A 37 ASN HA A 37 ASN H 1.0 1.926 4.530 984 808 A 36 VAL HGx% A 37 ASN H 1.0 1.925 4.525 985 809 A 37 ASN HA A 40 SER H 1.0 1.996 6.358 986 810 A 48 PHE HA A 48 PHE H 1.0 1.950 4.790 987 811 A 9 ARG HBy A 9 ARG H 1.0 1.969 5.039 988 812 A 9 ARG HBx A 10 VAL H 1.0 1.995 5.633 989 813 A 17 GLY HAy A 12 GLN HE2x 1.0 1.971 5.067 990 814 A 28 ARG H A 24 LYS HBx 1.0 0.000 6.000 991 815 A 28 ARG H A 28 ARG HGy 1.0 1.730 3.328 992 816 A 11 TYR HBx A 20 PHE H 1.0 1.976 6.904 993 817 A 15 ARG H A 15 ARG HGx 1.0 1.839 3.893 994 817 A 15 ARG H A 15 ARG HGy 1.0 1.839 3.893 995 818 A 15 ARG HGx A 16 CYS H 1.0 1.833 3.851 996 818 A 15 ARG HGy A 16 CYS H 1.0 1.833 3.851 997 819 A 27 ILE HA A 30 LEU H 1.0 1.884 4.186 998 820 A 50 VAL H A 9 ARG HA 1.0 1.996 6.358 999 821 A 8 GLU HGx A 8 GLU HBx 1.0 1.517 2.551 1000 821 A 8 GLU HGy A 8 GLU HBx 1.0 1.517 2.551 1001 822 A 8 GLU HGx A 8 GLU HBy 1.0 1.768 3.506 1002 822 A 8 GLU HGy A 8 GLU HBy 1.0 1.768 3.506 1003 823 A 21 ARG HBx A 21 ARG H 1.0 1.831 3.845 1004 824 A 14 LEU HG A 14 LEU HDx% 1.0 1.584 2.768 1005 825 A 24 LYS HBx A 24 LYS HGx 1.0 1.686 3.142 1006 826 A 50 VAL HB A 50 VAL HGy% 1.0 1.439 2.325 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _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 47 SER HBx A 11 TYR HEy 1.0 1.980 5.208 2 1 A 47 SER HBx A 11 TYR HEx 1.0 1.980 5.208 3 1 A 47 SER HBx A 11 TYR HDy 1.0 1.980 5.208 4 1 A 47 SER HBx A 11 TYR HDx 1.0 1.980 5.208 5 2 A 47 SER HBy A 11 TYR HEx 1.0 2.000 5.926 6 2 A 47 SER HBy A 11 TYR HEy 1.0 2.000 5.926 7 2 A 47 SER HBy A 11 TYR HDy 1.0 2.000 5.926 8 2 A 47 SER HBy A 11 TYR HDx 1.0 2.000 5.926 9 3 A 27 ILE HA A 30 LEU HBy 1.0 1.909 4.387 10 3 A 27 ILE HA A 26 LEU HG 1.0 1.909 4.387 11 4 A 27 ILE HA A 27 ILE HG2% 1.0 1.662 3.050 12 4 A 27 ILE HA A 27 ILE HG1y 1.0 1.662 3.050 13 5 A 31 VAL HGy% A 31 VAL HA 1.0 1.573 2.731 14 5 A 31 VAL HA A 31 VAL HGx% 1.0 1.573 2.731 15 6 A 41 ILE HA A 42 ASP H 1.0 1.977 5.165 16 6 A 31 VAL HA A 32 ASN H 1.0 1.977 5.165 17 7 A 31 VAL HA A 31 VAL HB 1.0 1.695 3.179 18 7 A 41 ILE HA A 41 ILE HB 1.0 1.695 3.179 19 8 A 50 VAL HA A 50 VAL HGy% 1.0 1.706 3.228 20 8 A 50 VAL HGx% A 50 VAL HA 1.0 1.706 3.228 21 9 A 10 VAL HA A 11 TYR HDx 1.0 1.984 5.306 22 9 A 10 VAL HA A 11 TYR HDy 1.0 1.984 5.306 23 9 A 10 VAL HA A 11 TYR HEy 1.0 1.984 5.306 24 9 A 10 VAL HA A 11 TYR HEx 1.0 1.984 5.306 25 10 A 16 CYS HA A 17 GLY H 1.0 1.842 3.912 26 10 A 16 CYS HA A 16 CYS H 1.0 1.842 3.912 27 11 A 25 GLN HA A 25 GLN HBx 1.0 1.732 3.340 28 11 A 25 GLN HA A 25 GLN HBy 1.0 1.732 3.340 29 12 A 14 LEU HA A 17 GLY H 1.0 1.988 5.394 30 12 A 14 LEU HA A 16 CYS H 1.0 1.988 5.394 31 13 A 36 VAL HB A 35 LYS HA 1.0 1.999 5.829 32 13 A 35 LYS HA A 35 LYS HDx 1.0 1.999 5.829 33 14 A 35 LYS HA A 35 LYS HGx 1.0 1.905 4.353 34 14 A 35 LYS HA A 35 LYS HGy 1.0 1.905 4.353 35 15 A 9 ARG HDy A 9 ARG HBy 1.0 1.803 3.687 36 15 A 9 ARG HDx A 9 ARG HBx 1.0 1.803 3.687 37 15 A 9 ARG HDy A 9 ARG HBx 1.0 1.803 3.687 38 15 A 9 ARG HDx A 9 ARG HBy 1.0 1.803 3.687 39 16 A 26 LEU HBy A 26 LEU H 1.0 1.894 4.266 40 16 A 20 PHE HDy A 26 LEU HBy 1.0 1.894 4.266 41 16 A 20 PHE HDx A 26 LEU HBy 1.0 1.894 4.266 42 17 A 37 ASN HBy A 37 ASN H 1.0 1.858 4.008 43 17 A 37 ASN HBy A 40 SER H 1.0 1.858 4.008 44 18 A 40 SER HBy A 37 ASN HBy 1.0 1.966 4.998 45 18 A 38 PRO HDx A 37 ASN HBy 1.0 1.966 4.998 46 19 A 45 TYR HDy A 41 ILE HB 1.0 1.965 4.971 47 19 A 45 TYR HDx A 41 ILE HB 1.0 1.965 4.971 48 19 A 41 ILE HB A 41 ILE H 1.0 1.965 4.971 49 20 A 27 ILE HB A 27 ILE HG1y 1.0 1.546 2.644 50 20 A 27 ILE HB A 27 ILE HG2% 1.0 1.546 2.644 51 21 A 20 PHE HDy A 25 GLN HGx 1.0 1.987 6.635 52 21 A 25 GLN HGx A 26 LEU H 1.0 1.987 6.635 53 21 A 20 PHE HDx A 25 GLN HGy 1.0 1.987 6.635 54 21 A 25 GLN HGy A 26 LEU H 1.0 1.987 6.635 55 21 A 20 PHE HDy A 25 GLN HGy 1.0 1.987 6.635 56 21 A 20 PHE HDx A 25 GLN HGx 1.0 1.987 6.635 57 22 A 50 VAL HB A 50 VAL HGy% 1.0 1.535 2.609 58 22 A 50 VAL HGx% A 50 VAL HB 1.0 1.535 2.609 59 23 A 31 VAL HGy% A 31 VAL HB 1.0 1.460 2.384 60 23 A 31 VAL HB A 31 VAL HGx% 1.0 1.460 2.384 61 24 A 16 CYS HBx A 17 GLY H 1.0 1.924 4.512 62 24 A 16 CYS HBx A 16 CYS H 1.0 1.924 4.512 63 25 A 16 CYS HBy A 17 GLY H 1.0 1.991 5.477 64 25 A 16 CYS HBy A 16 CYS H 1.0 1.991 5.477 65 26 A 13 CYS HBx A 17 GLY H 1.0 1.970 5.038 66 26 A 13 CYS HBx A 16 CYS H 1.0 1.970 5.038 67 27 A 28 ARG HA A 28 ARG HBy 1.0 1.722 3.296 68 27 A 25 GLN HA A 28 ARG HBy 1.0 1.722 3.296 69 28 A 23 LYS HDy A 11 TYR HDx 1.0 1.997 6.321 70 28 A 23 LYS HDy A 11 TYR HEy 1.0 1.997 6.321 71 28 A 23 LYS HDx A 11 TYR HDx 1.0 1.997 6.321 72 28 A 23 LYS HDy A 11 TYR HDy 1.0 1.997 6.321 73 28 A 23 LYS HDx A 11 TYR HEy 1.0 1.997 6.321 74 28 A 23 LYS HDx A 11 TYR HEx 1.0 1.997 6.321 75 28 A 23 LYS HDy A 11 TYR HEx 1.0 1.997 6.321 76 28 A 23 LYS HDx A 11 TYR HDy 1.0 1.997 6.321 77 29 A 29 HIS HBx A 30 LEU HBy 1.0 1.993 6.473 78 29 A 29 HIS HBx A 26 LEU HG 1.0 1.993 6.473 79 29 A 29 HIS HBx A 26 LEU HBy 1.0 1.993 6.473 80 30 A 30 LEU HG A 36 VAL HGx% 1.0 1.865 4.057 81 30 A 30 LEU HG A 26 LEU HDy% 1.0 1.865 4.057 82 31 A 41 ILE HA A 41 ILE HG1x 1.0 1.920 4.478 83 31 A 28 ARG HA A 28 ARG HGx 1.0 1.920 4.478 84 32 A 28 ARG HA A 28 ARG HGy 1.0 1.892 4.248 85 32 A 25 GLN HA A 28 ARG HGy 1.0 1.892 4.248 86 33 A 27 ILE HG1y A 26 LEU HDy% 1.0 1.696 3.186 87 33 A 41 ILE HD1% A 26 LEU HDy% 1.0 1.696 3.186 88 34 A 45 TYR HEx A 26 LEU HDy% 1.0 1.949 4.773 89 34 A 45 TYR HEy A 26 LEU HDy% 1.0 1.949 4.773 90 34 A 26 LEU HDy% A 11 TYR HDy 1.0 1.949 4.773 91 34 A 26 LEU HDy% A 11 TYR HDx 1.0 1.949 4.773 92 35 A 45 TYR HBx A 26 LEU HDy% 1.0 1.937 4.647 93 35 A 27 ILE HA A 26 LEU HDy% 1.0 1.937 4.647 94 36 A 35 LYS HGx A 35 LYS HEx 1.0 1.936 4.628 95 36 A 45 TYR HBy A 30 LEU HDy% 1.0 1.936 4.628 96 36 A 35 LYS HGx A 35 LYS HEy 1.0 1.936 4.628 97 36 A 45 TYR HBy A 30 LEU HDx% 1.0 1.936 4.628 98 37 A 26 LEU HBy A 26 LEU HDy% 1.0 1.579 2.753 99 37 A 26 LEU HDy% A 26 LEU HG 1.0 1.579 2.753 100 38 A 26 LEU HDx% A 26 LEU H 1.0 1.967 5.003 101 38 A 20 PHE HDx A 26 LEU HDx% 1.0 1.967 5.003 102 38 A 20 PHE HDy A 26 LEU HDx% 1.0 1.967 5.003 103 39 A 45 TYR HEy A 26 LEU HDx% 1.0 1.933 4.599 104 39 A 45 TYR HEx A 26 LEU HDx% 1.0 1.933 4.599 105 39 A 20 PHE HEx A 26 LEU HDx% 1.0 1.933 4.599 106 39 A 20 PHE HEy A 26 LEU HDx% 1.0 1.933 4.599 107 40 A 26 LEU HBy A 26 LEU HDx% 1.0 1.471 2.415 108 40 A 26 LEU HDx% A 26 LEU HG 1.0 1.471 2.415 109 40 A 30 LEU HDx% A 26 LEU HDx% 1.0 1.471 2.415 110 40 A 30 LEU HDy% A 26 LEU HDx% 1.0 1.471 2.415 111 41 A 39 LEU HBx A 39 LEU HDx% 1.0 1.896 4.282 112 41 A 39 LEU HBy A 39 LEU HDx% 1.0 1.896 4.282 113 41 A 39 LEU HG A 39 LEU HDx% 1.0 1.896 4.282 114 42 A 22 THR HG2% A 25 GLN HBx 1.0 1.901 4.325 115 42 A 22 THR HG2% A 21 ARG HBx 1.0 1.901 4.325 116 43 A 31 VAL H A 31 VAL HGx% 1.0 1.888 4.222 117 43 A 50 VAL HGx% A 50 VAL H 1.0 1.888 4.222 118 44 A 36 VAL HA A 36 VAL HGx% 1.0 1.670 3.080 119 44 A 41 ILE HA A 36 VAL HGx% 1.0 1.670 3.080 120 45 A 30 LEU HA A 36 VAL HGx% 1.0 1.992 5.482 121 45 A 36 VAL HGx% A 44 TYR HBx 1.0 1.992 5.482 122 46 A 36 VAL HGx% A 41 ILE HB 1.0 1.927 4.547 123 46 A 30 LEU HBx A 36 VAL HGx% 1.0 1.927 4.547 124 46 A 36 VAL HGx% A 34 GLU HBx 1.0 1.927 4.547 125 47 A 31 VAL H A 27 ILE HG2% 1.0 1.955 4.843 126 47 A 27 ILE H A 27 ILE HG2% 1.0 1.955 4.843 127 48 A 28 ARG HA A 27 ILE HG2% 1.0 1.924 4.522 128 48 A 28 ARG HA A 31 VAL HGx% 1.0 1.924 4.522 129 49 A 31 VAL HGy% A 31 VAL HA 1.0 1.593 2.799 130 49 A 41 ILE HA A 41 ILE HG2% 1.0 1.593 2.799 131 50 A 27 ILE HB A 24 LYS HA 1.0 1.720 3.288 132 50 A 24 LYS HA A 24 LYS HBy 1.0 1.720 3.288 133 51 A 30 LEU HBx A 27 ILE HD1% 1.0 1.991 5.481 134 51 A 27 ILE HD1% A 41 ILE HB 1.0 1.991 5.481 135 52 A 17 GLY HAx A 19 THR H 1.0 1.994 6.446 136 52 A 17 GLY HAx A 12 GLN HE2x 1.0 1.994 6.446 137 53 A 26 LEU HBx A 26 LEU HA 1.0 1.757 3.453 138 53 A 23 LYS HA A 26 LEU HBx 1.0 1.757 3.453 139 54 A 35 LYS HGx A 35 LYS HEx 1.0 1.901 4.319 140 54 A 35 LYS HGx A 35 LYS HEy 1.0 1.901 4.319 141 54 A 35 LYS HGy A 35 LYS HEx 1.0 1.901 4.319 142 54 A 35 LYS HGy A 35 LYS HEy 1.0 1.901 4.319 143 55 A 35 LYS HBy A 35 LYS HGy 1.0 1.820 3.778 144 55 A 35 LYS HBy A 35 LYS HGx 1.0 1.820 3.778 145 56 A 35 LYS HDx A 35 LYS HGy 1.0 1.737 3.361 146 56 A 35 LYS HGx A 35 LYS HDx 1.0 1.737 3.361 147 57 A 35 LYS HBx A 35 LYS HGx 1.0 1.782 3.574 148 57 A 35 LYS HBx A 35 LYS HGy 1.0 1.782 3.574 149 58 A 14 LEU HDx% A 14 LEU HBy 1.0 1.732 3.340 150 58 A 14 LEU HDy% A 14 LEU HBy 1.0 1.732 3.340 151 58 A 14 LEU HDx% A 14 LEU HBx 1.0 1.732 3.340 152 58 A 14 LEU HDy% A 14 LEU HBx 1.0 1.732 3.340 153 59 A 9 ARG HBy A 10 VAL H 1.0 2.000 5.996 154 59 A 9 ARG HBy A 9 ARG H 1.0 2.000 5.996 155 60 A 44 TYR HDy A 14 LEU HBy 1.0 1.969 7.031 156 60 A 44 TYR HDx A 14 LEU HBx 1.0 1.969 7.031 157 60 A 44 TYR HDx A 14 LEU HBy 1.0 1.969 7.031 158 60 A 44 TYR HDx A 41 ILE HG1x 1.0 1.969 7.031 159 60 A 44 TYR HDy A 14 LEU HBx 1.0 1.969 7.031 160 60 A 44 TYR HDy A 41 ILE HG1x 1.0 1.969 7.031 161 61 A 41 ILE HG2% A 45 TYR HDy 1.0 1.988 5.406 162 61 A 41 ILE HG2% A 45 TYR HDx 1.0 1.988 5.406 163 61 A 30 LEU HG A 45 TYR HDx 1.0 1.988 5.406 164 61 A 30 LEU HG A 45 TYR HDy 1.0 1.988 5.406 165 62 A 41 ILE HA A 45 TYR HEx 1.0 2.000 5.926 166 62 A 44 TYR HEy A 36 VAL HA 1.0 2.000 5.926 167 62 A 41 ILE HA A 45 TYR HEy 1.0 2.000 5.926 168 62 A 44 TYR HEx A 36 VAL HA 1.0 2.000 5.926 169 62 A 41 ILE HA A 44 TYR HEy 1.0 2.000 5.926 170 62 A 41 ILE HA A 44 TYR HEx 1.0 2.000 5.926 171 63 A 45 TYR HEx A 26 LEU HDy% 1.0 1.992 5.496 172 63 A 44 TYR HEx A 36 VAL HGx% 1.0 1.992 5.496 173 63 A 45 TYR HEy A 26 LEU HDy% 1.0 1.992 5.496 174 63 A 44 TYR HEy A 36 VAL HGx% 1.0 1.992 5.496 175 64 A 9 ARG HGx A 11 TYR HEx 1.0 1.957 7.223 176 64 A 23 LYS HDy A 11 TYR HEy 1.0 1.957 7.223 177 64 A 23 LYS HDx A 11 TYR HEy 1.0 1.957 7.223 178 64 A 9 ARG HGx A 11 TYR HEy 1.0 1.957 7.223 179 64 A 23 LYS HDx A 11 TYR HEx 1.0 1.957 7.223 180 64 A 23 LYS HDy A 11 TYR HEx 1.0 1.957 7.223 181 65 A 26 LEU HBy A 11 TYR HEx 1.0 1.956 7.230 182 65 A 26 LEU HBy A 11 TYR HEy 1.0 1.956 7.230 183 65 A 9 ARG HGy A 11 TYR HEy 1.0 1.956 7.230 184 65 A 9 ARG HGy A 11 TYR HEx 1.0 1.956 7.230 185 66 A 43 TYR HDx A 43 TYR HEx 1.0 1.774 3.538 186 66 A 45 TYR HDy A 45 TYR HEx 1.0 1.774 3.538 187 66 A 43 TYR HDx A 43 TYR HEy 1.0 1.774 3.538 188 66 A 45 TYR HDx A 45 TYR HEy 1.0 1.774 3.538 189 66 A 45 TYR HDy A 45 TYR HEy 1.0 1.774 3.538 190 66 A 45 TYR HDx A 45 TYR HEx 1.0 1.774 3.538 191 66 A 43 TYR HDy A 43 TYR HEx 1.0 1.774 3.538 192 66 A 43 TYR HDy A 43 TYR HEy 1.0 1.774 3.538 193 67 A 44 TYR HDy A 43 TYR HDx 1.0 1.985 6.703 194 67 A 44 TYR HDx A 43 TYR HDx 1.0 1.985 6.703 195 67 A 44 TYR HDx A 41 ILE H 1.0 1.985 6.703 196 67 A 44 TYR HDy A 41 ILE H 1.0 1.985 6.703 197 67 A 44 TYR HDy A 43 TYR HDy 1.0 1.985 6.703 198 67 A 44 TYR HDx A 43 TYR HDy 1.0 1.985 6.703 199 68 A 14 LEU H A 17 GLY H 1.0 1.952 7.286 200 68 A 14 LEU H A 16 CYS H 1.0 1.952 7.286 201 69 A 14 LEU HDy% A 14 LEU H 1.0 1.824 3.800 202 69 A 14 LEU HDx% A 14 LEU H 1.0 1.824 3.800 203 70 A 44 TYR HBx A 14 LEU H 1.0 1.999 6.225 204 70 A 30 LEU HA A 14 LEU H 1.0 1.999 6.225 205 71 A 26 LEU HBy A 13 CYS H 1.0 1.976 6.904 206 71 A 30 LEU HDx% A 13 CYS H 1.0 1.976 6.904 207 71 A 30 LEU HDy% A 13 CYS H 1.0 1.976 6.904 208 72 A 18 LEU HDy% A 13 CYS H 1.0 1.986 6.664 209 72 A 18 LEU HDx% A 13 CYS H 1.0 1.986 6.664 210 73 A 18 LEU HG A 13 CYS H 1.0 1.990 5.444 211 73 A 12 GLN HGy A 13 CYS H 1.0 1.990 5.444 212 74 A 18 LEU HDy% A 18 LEU H 1.0 1.907 4.373 213 74 A 18 LEU HDx% A 18 LEU H 1.0 1.907 4.373 214 75 A 12 GLN H A 46 GLN HA 1.0 1.985 5.315 215 75 A 13 CYS HA A 12 GLN H 1.0 1.985 5.315 216 76 A 41 ILE HG2% A 26 LEU H 1.0 1.999 6.163 217 76 A 30 LEU HG A 26 LEU H 1.0 1.999 6.163 218 77 A 30 LEU H A 31 VAL HGx% 1.0 1.993 5.547 219 77 A 30 LEU H A 27 ILE HG2% 1.0 1.993 5.547 220 78 A 31 VAL HA A 30 LEU H 1.0 1.998 6.282 221 78 A 28 ARG HA A 30 LEU H 1.0 1.998 6.282 222 79 A 45 TYR HBy A 30 LEU H 1.0 1.950 7.322 223 79 A 32 ASN HBx A 30 LEU H 1.0 1.950 7.322 224 80 A 29 HIS HBy A 30 LEU H 1.0 1.964 4.962 225 80 A 26 LEU HA A 30 LEU H 1.0 1.964 4.962 226 81 A 34 GLU HGy A 30 LEU H 1.0 1.993 6.475 227 81 A 27 ILE HB A 30 LEU H 1.0 1.993 6.475 228 82 A 27 ILE HG1x A 26 LEU H 1.0 1.930 7.564 229 82 A 26 LEU H A 24 LYS HGx 1.0 1.930 7.564 230 83 A 31 VAL HGy% A 30 LEU H 1.0 1.935 4.627 231 83 A 30 LEU HG A 30 LEU H 1.0 1.935 4.627 232 84 A 26 LEU HDy% A 30 LEU H 1.0 1.997 6.295 233 84 A 36 VAL HGx% A 30 LEU H 1.0 1.997 6.295 234 85 A 15 ARG H A 15 ARG HDy 1.0 1.987 6.637 235 85 A 15 ARG H A 13 CYS HBy 1.0 1.987 6.637 236 86 A 15 ARG H A 15 ARG HA 1.0 1.774 3.538 237 86 A 15 ARG H A 14 LEU HA 1.0 1.774 3.538 238 87 A 15 ARG H A 16 CYS HBy 1.0 1.830 8.500 239 87 A 15 ARG H A 15 ARG HDx 1.0 1.830 8.500 240 88 A 28 ARG HA A 27 ILE H 1.0 2.000 6.038 241 88 A 25 GLN HA A 27 ILE H 1.0 2.000 6.038 242 89 A 27 ILE HB A 27 ILE H 1.0 1.550 2.654 243 89 A 26 LEU HBx A 27 ILE H 1.0 1.550 2.654 244 90 A 27 ILE H A 24 LYS HGy 1.0 1.985 6.707 245 90 A 23 LYS HDx A 27 ILE H 1.0 1.985 6.707 246 90 A 23 LYS HDy A 27 ILE H 1.0 1.985 6.707 247 91 A 21 ARG HDx A 11 TYR H 1.0 1.921 7.675 248 91 A 21 ARG HDy A 11 TYR H 1.0 1.921 7.675 249 91 A 20 PHE HBx A 11 TYR H 1.0 1.921 7.675 250 92 A 28 ARG H A 27 ILE HG1y 1.0 1.909 4.383 251 92 A 28 ARG H A 27 ILE HG2% 1.0 1.909 4.383 252 93 A 30 LEU HDy% A 29 HIS H 1.0 1.999 5.781 253 93 A 30 LEU HDx% A 29 HIS H 1.0 1.999 5.781 254 93 A 26 LEU HG A 29 HIS H 1.0 1.999 5.781 255 94 A 43 TYR HA A 42 ASP H 1.0 1.984 6.730 256 94 A 40 SER HBx A 42 ASP H 1.0 1.984 6.730 257 95 A 24 LYS HGy A 25 GLN H 1.0 1.981 5.243 258 95 A 22 THR HG2% A 25 GLN H 1.0 1.981 5.243 259 96 A 14 LEU HBx A 46 GLN H 1.0 1.973 6.961 260 96 A 14 LEU HBy A 46 GLN H 1.0 1.973 6.961 261 96 A 12 GLN HGy A 46 GLN H 1.0 1.973 6.961 262 97 A 31 VAL H A 29 HIS H 1.0 1.985 5.339 263 97 A 28 ARG H A 31 VAL H 1.0 1.985 5.339 264 98 A 36 VAL H A 36 VAL HA 1.0 1.601 2.827 265 98 A 36 VAL H A 35 LYS HA 1.0 1.601 2.827 266 98 A 36 VAL H A 31 VAL HA 1.0 1.601 2.827 267 99 A 31 VAL H A 31 VAL HB 1.0 1.589 2.783 268 99 A 30 LEU HBx A 31 VAL H 1.0 1.589 2.783 269 100 A 41 ILE H A 40 SER H 1.0 1.677 3.109 270 100 A 41 ILE H A 42 ASP H 1.0 1.677 3.109 271 101 A 40 SER HBx A 41 ILE H 1.0 1.979 6.851 272 101 A 39 LEU HA A 41 ILE H 1.0 1.979 6.851 273 102 A 32 ASN H A 34 GLU H 1.0 1.998 5.730 274 102 A 29 HIS H A 32 ASN H 1.0 1.998 5.730 275 103 A 28 ARG HA A 32 ASN H 1.0 1.853 3.979 276 103 A 31 VAL HA A 32 ASN H 1.0 1.853 3.979 277 104 A 33 THR HG2% A 32 ASN H 1.0 1.941 7.439 278 104 A 30 LEU HBy A 32 ASN H 1.0 1.941 7.439 279 105 A 31 VAL HGx% A 32 ASN H 1.0 1.751 3.427 280 105 A 31 VAL HGy% A 32 ASN H 1.0 1.751 3.427 281 106 A 44 TYR HEy A 43 TYR H 1.0 2.000 5.904 282 106 A 44 TYR HEx A 43 TYR H 1.0 2.000 5.904 283 106 A 43 TYR HEy A 43 TYR H 1.0 2.000 5.904 284 106 A 43 TYR HEx A 43 TYR H 1.0 2.000 5.904 285 107 A 15 ARG HDy A 16 CYS H 1.0 2.000 5.918 286 107 A 13 CYS HBy A 16 CYS H 1.0 2.000 5.918 287 108 A 18 LEU HDy% A 16 CYS H 1.0 1.911 7.783 288 108 A 14 LEU HDx% A 16 CYS H 1.0 1.911 7.783 289 109 A 40 SER HBx A 40 SER H 1.0 1.898 4.290 290 109 A 39 LEU HA A 40 SER H 1.0 1.898 4.290 291 110 A 41 ILE HG1x A 40 SER H 1.0 1.953 4.811 292 110 A 39 LEU HBx A 40 SER H 1.0 1.953 4.811 293 110 A 39 LEU HBy A 40 SER H 1.0 1.953 4.811 294 111 A 44 TYR H A 45 TYR HDy 1.0 1.986 5.334 295 111 A 44 TYR H A 45 TYR HDx 1.0 1.986 5.334 296 111 A 44 TYR H A 41 ILE H 1.0 1.986 5.334 297 112 A 44 TYR H A 14 LEU HBx 1.0 1.919 7.697 298 112 A 44 TYR H A 14 LEU HBy 1.0 1.919 7.697 299 112 A 41 ILE HG1x A 44 TYR H 1.0 1.919 7.697 300 113 A 41 ILE HG2% A 44 TYR H 1.0 2.000 5.964 301 113 A 44 TYR H A 30 LEU HG 1.0 2.000 5.964 302 114 A 18 LEU HG A 17 GLY H 1.0 2.000 6.064 303 114 A 15 ARG HBy A 17 GLY H 1.0 2.000 6.064 304 115 A 18 LEU HDy% A 17 GLY H 1.0 1.953 7.269 305 115 A 18 LEU HDx% A 17 GLY H 1.0 1.953 7.269 306 116 A 32 ASN HBx A 35 LYS H 1.0 1.855 8.305 307 116 A 35 LYS H A 35 LYS HEx 1.0 1.855 8.305 308 116 A 35 LYS H A 35 LYS HEy 1.0 1.855 8.305 309 117 A 35 LYS HBx A 35 LYS H 1.0 1.922 4.496 310 117 A 34 GLU HBx A 35 LYS H 1.0 1.922 4.496 311 118 A 36 VAL HB A 35 LYS H 1.0 1.992 5.512 312 118 A 35 LYS H A 35 LYS HDx 1.0 1.992 5.512 313 119 A 35 LYS HGx A 35 LYS H 1.0 1.846 3.930 314 119 A 35 LYS H A 35 LYS HGy 1.0 1.846 3.930 315 120 A 31 VAL HGy% A 35 LYS H 1.0 1.999 6.165 316 120 A 31 VAL HGx% A 35 LYS H 1.0 1.999 6.165 317 121 A 19 THR H A 20 PHE H 1.0 1.995 6.393 318 121 A 20 PHE H A 21 ARG H 1.0 1.995 6.393 319 122 A 21 ARG HGy A 21 ARG H 1.0 1.952 4.812 320 122 A 18 LEU HG A 19 THR H 1.0 1.952 4.812 321 122 A 12 GLN HGy A 12 GLN HE2x 1.0 1.952 4.812 322 123 A 26 LEU H A 22 THR H 1.0 2.000 6.100 323 123 A 20 PHE HDy A 22 THR H 1.0 2.000 6.100 324 123 A 20 PHE HDx A 22 THR H 1.0 2.000 6.100 325 124 A 11 TYR HEy A 22 THR H 1.0 1.985 6.701 326 124 A 11 TYR HEx A 22 THR H 1.0 1.985 6.701 327 124 A 11 TYR HDy A 22 THR H 1.0 1.985 6.701 328 124 A 11 TYR HDx A 22 THR H 1.0 1.985 6.701 329 125 A 25 GLN HBx A 22 THR H 1.0 1.859 4.015 330 125 A 21 ARG HBx A 22 THR H 1.0 1.859 4.015 331 126 A 29 HIS HBx A 26 LEU H 1.0 1.979 6.839 332 126 A 28 ARG HDy A 26 LEU H 1.0 1.979 6.839 333 127 A 31 VAL HGy% A 27 ILE H 1.0 1.967 5.013 334 127 A 30 LEU HG A 27 ILE H 1.0 1.967 5.013 335 128 A 28 ARG H A 26 LEU HG 1.0 1.988 6.644 336 128 A 28 ARG H A 26 LEU HBy 1.0 1.988 6.644 337 129 A 34 GLU HGy A 32 ASN H 1.0 1.945 7.383 338 129 A 28 ARG HGy A 32 ASN H 1.0 1.945 7.383 339 130 A 35 LYS HA A 34 GLU H 1.0 1.987 5.357 340 130 A 31 VAL HA A 34 GLU H 1.0 1.987 5.357 341 131 A 36 VAL H A 35 LYS HGy 1.0 1.944 4.722 342 131 A 36 VAL H A 30 LEU HBy 1.0 1.944 4.722 343 131 A 36 VAL H A 35 LYS HGx 1.0 1.944 4.722 344 132 A 31 VAL H A 27 ILE HG2% 1.0 1.784 3.588 345 132 A 31 VAL H A 31 VAL HGx% 1.0 1.784 3.588 346 133 A 18 LEU HG A 18 LEU HDy% 1.0 1.549 2.653 347 133 A 18 LEU HDx% A 18 LEU HG 1.0 1.549 2.653 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 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 50 VAL H A 8 GLU O 1.0 1.55 2.25 2 2 A 48 PHE H A 10 VAL O 1.0 1.55 2.25 3 3 A 20 PHE H A 11 TYR O 1.0 1.55 2.25 4 4 A 46 GLN H A 12 GLN O 1.0 1.55 2.25 5 5 A 17 GLY H A 13 CYS O 1.0 1.55 2.25 6 6 A 13 CYS H A 18 LEU O 1.0 1.55 2.25 7 7 A 11 TYR H A 20 PHE O 1.0 1.55 2.25 8 8 A 27 ILE H A 23 LYS O 1.0 1.55 2.25 9 9 A 28 ARG H A 24 LYS O 1.0 1.55 2.25 10 10 A 30 LEU H A 26 LEU O 1.0 1.55 2.25 11 11 A 31 VAL H A 27 ILE O 1.0 1.55 2.25 12 12 A 32 ASN H A 28 ARG O 1.0 1.55 2.25 13 13 A 33 THR H A 29 HIS O 1.0 1.55 2.25 14 14 A 36 VAL H A 30 LEU O 1.0 1.55 2.25 15 15 A 40 SER H A 37 ASN O 1.0 1.55 2.25 16 16 A 44 TYR H A 41 ILE O 1.0 1.55 2.25 17 17 A 14 LEU H A 44 TYR O 1.0 1.55 2.25 18 18 A 12 GLN H A 46 GLN O 1.0 1.55 2.25 19 19 A 10 VAL H A 48 PHE O 1.0 1.55 2.25 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 7 MET C A 8 GLU N A 8 GLU CA A 8 GLU C 1.0 -175.0 -69.0 PHI 2 2 A 8 GLU C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -146.0 -64.0 PHI 3 3 A 9 ARG C A 10 VAL N A 10 VAL CA A 10 VAL C 1.0 -140.0 -100.0 PHI 4 4 A 10 VAL C A 11 TYR N A 11 TYR CA A 11 TYR C 1.0 -140.0 -100.0 PHI 5 5 A 11 TYR C A 12 GLN N A 12 GLN CA A 12 GLN C 1.0 -140.0 -100.0 PHI 6 6 A 12 GLN C A 13 CYS N A 13 CYS CA A 13 CYS C 1.0 -95.0 -35.0 PHI 7 7 A 13 CYS C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -95.0 -35.0 PHI 8 8 A 14 LEU C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -140.0 -100.0 PHI 9 9 A 15 ARG C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -140.0 -100.0 PHI 10 10 A 17 GLY C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -85.0 -45.0 PHI 11 11 A 18 LEU C A 19 THR N A 19 THR CA A 19 THR C 1.0 -150.0 -90.0 PHI 12 12 A 19 THR C A 20 PHE N A 20 PHE CA A 20 PHE C 1.0 -140.0 -100.0 PHI 13 13 A 20 PHE C A 21 ARG N A 21 ARG CA A 21 ARG C 1.0 -146.0 -42.0 PHI 14 14 A 21 ARG C A 22 THR N A 22 THR CA A 22 THR C 1.0 -140.0 -100.0 PHI 15 15 A 22 THR C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -74.0 -54.0 PHI 16 16 A 23 LYS C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -85.0 -45.0 PHI 17 17 A 24 LYS C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -85.0 -45.0 PHI 18 18 A 25 GLN C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -85.0 -45.0 PHI 19 19 A 26 LEU C A 27 ILE N A 27 ILE CA A 27 ILE C 1.0 -85.0 -45.0 PHI 20 20 A 27 ILE C A 28 ARG N A 28 ARG CA A 28 ARG C 1.0 -85.0 -45.0 PHI 21 21 A 28 ARG C A 29 HIS N A 29 HIS CA A 29 HIS C 1.0 -85.0 -45.0 PHI 22 22 A 29 HIS C A 30 LEU N A 30 LEU CA A 30 LEU C 1.0 -85.0 -45.0 PHI 23 23 A 30 LEU C A 31 VAL N A 31 VAL CA A 31 VAL C 1.0 -85.0 -45.0 PHI 24 24 A 31 VAL C A 32 ASN N A 32 ASN CA A 32 ASN C 1.0 -80.0 -54.0 PHI 25 25 A 33 THR C A 34 GLU N A 34 GLU CA A 34 GLU C 1.0 -111.0 -73.0 PHI 26 26 A 34 GLU C A 35 LYS N A 35 LYS CA A 35 LYS C 1.0 44.0 76.0 PHI 27 27 A 36 VAL C A 37 ASN N A 37 ASN CA A 37 ASN C 1.0 -85.0 -45.0 PHI 28 28 A 37 ASN C A 38 PRO N A 38 PRO CA A 38 PRO C 1.0 -70.0 -42.0 PHI 29 29 A 38 PRO C A 39 LEU N A 39 LEU CA A 39 LEU C 1.0 -87.0 -55.0 PHI 30 30 A 40 SER C A 41 ILE N A 41 ILE CA A 41 ILE C 1.0 -85.0 -45.0 PHI 31 31 A 41 ILE C A 42 ASP N A 42 ASP CA A 42 ASP C 1.0 -85.0 -45.0 PHI 32 32 A 42 ASP C A 43 TYR N A 43 TYR CA A 43 TYR C 1.0 -92.0 -40.0 PHI 33 33 A 43 TYR C A 44 TYR N A 44 TYR CA A 44 TYR C 1.0 -140.0 -100.0 PHI 34 34 A 44 TYR C A 45 TYR N A 45 TYR CA A 45 TYR C 1.0 -168.0 -82.0 PHI 35 35 A 45 TYR C A 46 GLN N A 46 GLN CA A 46 GLN C 1.0 -167.0 -95.0 PHI 36 36 A 46 GLN C A 47 SER N A 47 SER CA A 47 SER C 1.0 -171.0 -89.0 PHI 37 37 A 47 SER C A 48 PHE N A 48 PHE CA A 48 PHE C 1.0 -187.0 -79.0 PHI 38 38 A 48 PHE C A 49 SER N A 49 SER CA A 49 SER C 1.0 -124.0 -60.0 PHI 39 39 A 49 SER C A 50 VAL N A 50 VAL CA A 50 VAL C 1.0 -161.0 -91.0 PHI 40 40 A 50 VAL C A 51 SER N A 51 SER CA A 51 SER C 1.0 -140.0 -100.0 PHI 41 41 A 8 GLU N A 8 GLU CA A 8 GLU C A 9 ARG N 1.0 87.0 227.0 PSI 42 42 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 VAL N 1.0 90.0 192.0 PSI 43 43 A 10 VAL N A 10 VAL CA A 10 VAL C A 11 TYR N 1.0 118.0 178.0 PSI 44 44 A 11 TYR N A 11 TYR CA A 11 TYR C A 12 GLN N 1.0 115.0 169.0 PSI 45 45 A 12 GLN N A 12 GLN CA A 12 GLN C A 13 CYS N 1.0 105.0 157.0 PSI 46 46 A 13 CYS N A 13 CYS CA A 13 CYS C A 14 LEU N 1.0 109.0 149.0 PSI 47 47 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 ARG N 1.0 -61.0 11.0 PSI 48 48 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 CYS N 1.0 -63.0 3.0 PSI 49 49 A 19 THR N A 19 THR CA A 19 THR C A 20 PHE N 1.0 135.0 177.0 PSI 50 50 A 20 PHE N A 20 PHE CA A 20 PHE C A 21 ARG N 1.0 145.0 197.0 PSI 51 51 A 21 ARG N A 21 ARG CA A 21 ARG C A 22 THR N 1.0 -66.0 32.0 PSI 52 52 A 22 THR N A 22 THR CA A 22 THR C A 23 LYS N 1.0 131.0 191.0 PSI 53 53 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 LYS N 1.0 -53.0 -17.0 PSI 54 54 A 24 LYS N A 24 LYS CA A 24 LYS C A 25 GLN N 1.0 -51.0 -33.0 PSI 55 55 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 LEU N 1.0 -50.0 -24.0 PSI 56 56 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 ILE N 1.0 -51.0 -31.0 PSI 57 57 A 27 ILE N A 27 ILE CA A 27 ILE C A 28 ARG N 1.0 -52.0 -38.0 PSI 58 58 A 28 ARG N A 28 ARG CA A 28 ARG C A 29 HIS N 1.0 -51.0 -29.0 PSI 59 59 A 29 HIS N A 29 HIS CA A 29 HIS C A 30 LEU N 1.0 -45.0 -35.0 PSI 60 60 A 30 LEU N A 30 LEU CA A 30 LEU C A 31 VAL N 1.0 -52.0 -34.0 PSI 61 61 A 31 VAL N A 31 VAL CA A 31 VAL C A 32 ASN N 1.0 -57.0 -27.0 PSI 62 62 A 32 ASN N A 32 ASN CA A 32 ASN C A 33 THR N 1.0 -60.0 -8.0 PSI 63 63 A 34 GLU N A 34 GLU CA A 34 GLU C A 35 LYS N 1.0 -11.0 39.0 PSI 64 64 A 35 LYS N A 35 LYS CA A 35 LYS C A 36 VAL N 1.0 11.0 57.0 PSI 65 65 A 37 ASN N A 37 ASN CA A 37 ASN C A 38 PRO N 1.0 100.0 160.0 PSI 66 66 A 38 PRO N A 38 PRO CA A 38 PRO C A 39 LEU N 1.0 -53.0 -9.0 PSI 67 67 A 39 LEU N A 39 LEU CA A 39 LEU C A 40 SER N 1.0 -61.0 11.0 PSI 68 68 A 41 ILE N A 41 ILE CA A 41 ILE C A 42 ASP N 1.0 -68.0 -12.0 PSI 69 69 A 42 ASP N A 42 ASP CA A 42 ASP C A 43 TYR N 1.0 -53.0 -23.0 PSI 70 70 A 43 TYR N A 43 TYR CA A 43 TYR C A 44 TYR N 1.0 -44.0 -22.0 PSI 71 71 A 44 TYR N A 44 TYR CA A 44 TYR C A 45 TYR N 1.0 -71.0 29.0 PSI 72 72 A 45 TYR N A 45 TYR CA A 45 TYR C A 46 GLN N 1.0 119.0 197.0 PSI 73 73 A 46 GLN N A 46 GLN CA A 46 GLN C A 47 SER N 1.0 107.0 173.0 PSI 74 74 A 47 SER N A 47 SER CA A 47 SER C A 48 PHE N 1.0 127.0 181.0 PSI 75 75 A 48 PHE N A 48 PHE CA A 48 PHE C A 49 SER N 1.0 138.0 182.0 PSI 76 76 A 49 SER N A 49 SER CA A 49 SER C A 50 VAL N 1.0 129.0 163.0 PSI 77 77 A 50 VAL N A 50 VAL CA A 50 VAL C A 51 SER N 1.0 119.0 183.0 PSI stop_ save_