data_nef_c18302_2lqc 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 24 ASP OD2 3 1 CA CA 1 31 GLU OE1 3 1 CA CA 1 26 THR O 3 1 CA CA 1 64 ASP OD2 3 2 CA CA 1 62 THR O 3 2 CA CA 1 28 THR OG1 3 1 CA CA 1 22 ASP OD1 3 1 CA CA 1 26 THR OG1 3 1 CA CA 1 31 GLU OE2 3 1 CA CA 1 24 ASP OD1 3 1 CA CA 1 22 ASP OD2 3 1 CA CA 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 ALA start . . 2 A 2 ASP middle . . 3 A 3 GLN middle . . 4 A 4 LEU middle . . 5 A 5 THR middle . . 6 A 6 GLU middle . . 7 A 7 GLU middle . . 8 A 8 GLN middle . . 9 A 9 ILE middle . . 10 A 10 ALA middle . . 11 A 11 GLU middle . . 12 A 12 PHE middle . . 13 A 13 LYS middle . . 14 A 14 GLU middle . . 15 A 15 ALA middle . . 16 A 16 PHE middle . . 17 A 17 SER middle . . 18 A 18 LEU middle . . 19 A 19 PHE middle . . 20 A 20 ASP middle . . 21 A 21 LYS middle . . 22 A 22 ASP middle . . 23 A 23 GLY middle . false 24 A 24 ASP middle . . 25 A 25 GLY middle . false 26 A 26 THR middle . . 27 A 27 ILE middle . . 28 A 28 THR middle . . 29 A 29 THR middle . . 30 A 30 LYS middle . . 31 A 31 GLU middle . . 32 A 32 LEU middle . . 33 A 33 GLY middle . false 34 A 34 THR middle . . 35 A 35 VAL middle . . 36 A 36 MET middle . . 37 A 37 ARG middle . . 38 A 38 SER middle . . 39 A 39 LEU middle . . 40 A 40 GLY middle . false 41 A 41 GLN middle . . 42 A 42 ASN middle . . 43 A 43 PRO middle . false 44 A 44 THR middle . . 45 A 45 GLU middle . . 46 A 46 ALA middle . . 47 A 47 GLU middle . . 48 A 48 LEU middle . . 49 A 49 GLN middle . . 50 A 50 ASP middle . . 51 A 51 MET middle . . 52 A 52 ILE middle . . 53 A 53 ASN middle . . 54 A 54 GLU middle . . 55 A 55 VAL middle . . 56 A 56 ASP middle . . 57 A 57 ALA middle . . 58 A 58 ASP middle . . 59 A 59 GLY middle . false 60 A 60 ASN middle . . 61 A 61 GLY middle . false 62 A 62 THR middle . . 63 A 63 ILE middle . . 64 A 64 ASP middle . . 65 A 65 PHE middle . . 66 A 66 PRO middle . false 67 A 67 GLU middle . . 68 A 68 PHE middle . . 69 A 69 LEU middle . . 70 A 70 THR middle . . 71 A 71 MET middle . . 72 A 72 MET middle . . 73 A 73 ALA middle . . 74 A 74 ARG middle . . 75 A 75 LYS middle . . 76 A 76 MET middle . . 77 A 77 LYS end . . 78 B 45 GLY start . false 79 B 46 THR middle . . 80 B 47 GLY middle . false 81 B 48 ALA middle . . 82 B 49 ALA middle . . 83 B 50 LEU middle . . 84 B 51 SER middle . . 85 B 52 TRP middle . . 86 B 53 GLN middle . . 87 B 54 ALA middle . . 88 B 55 ALA middle . . 89 B 56 ILE middle . . 90 B 57 ASP middle . . 91 B 58 ALA middle . . 92 B 59 ALA middle . . 93 B 60 ARG middle . . 94 B 61 GLN middle . . 95 B 62 ALA middle . . 96 B 63 LYS middle . . 97 B 64 LEU middle . . 98 B 65 MET middle . . 99 B 66 GLY middle . false 100 B 67 SER middle . . 101 B 68 ALA end . . 102 C 1 CA . . . 103 C 2 CA . . . 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 2 ASP HA H 1 4.6160 . A 2 ASP HB2 H 1 2.6240 . A 2 ASP HB3 H 1 2.6240 . A 2 ASP C C 13 175.9750 . A 2 ASP CA C 13 54.6660 . A 2 ASP CB C 13 41.1880 . A 3 GLN H H 1 8.4140 . A 3 GLN HA H 1 4.3830 . A 3 GLN HB2 H 1 2.1000 . A 3 GLN HB3 H 1 2.1000 . A 3 GLN HG2 H 1 2.3750 . A 3 GLN HG3 H 1 2.3750 . A 3 GLN C C 13 175.9270 . A 3 GLN CA C 13 52.6530 . A 3 GLN CB C 13 29.2340 . A 3 GLN CG C 13 33.6410 . A 3 GLN N N 15 119.9950 . A 4 LEU H H 1 8.3520 . A 4 LEU HA H 1 4.6700 . A 4 LEU HB2 H 1 1.5000 . A 4 LEU HB3 H 1 1.7400 . A 4 LEU HG H 1 0.9600 . A 4 LEU C C 13 177.9830 . A 4 LEU CA C 13 54.6660 . A 4 LEU CB C 13 43.5320 . A 4 LEU CD1 C 13 24.0330 . A 4 LEU CD2 C 13 23.6330 . A 4 LEU CG C 13 27.0330 . A 4 LEU N N 15 123.5860 . A 5 THR H H 1 8.7350 . A 5 THR HA H 1 4.4700 . A 5 THR HB H 1 4.7400 . A 5 THR C C 13 175.7290 . A 5 THR CA C 13 60.5260 . A 5 THR CB C 13 71.5410 . A 5 THR CG2 C 13 21.8330 . A 5 THR N N 15 113.2920 . A 6 GLU H H 1 9.0600 . A 6 GLU HA H 1 3.9910 . A 6 GLU HB2 H 1 2.0490 . A 6 GLU HB3 H 1 2.0490 . A 6 GLU HG2 H 1 2.3940 . A 6 GLU HG3 H 1 2.3500 . A 6 GLU C C 13 179.8160 . A 6 GLU CA C 13 59.9400 . A 6 GLU CB C 13 29.2340 . A 6 GLU CG C 13 36.6080 . A 6 GLU N N 15 120.5070 . A 7 GLU H H 1 8.7700 . A 7 GLU HA H 1 4.0850 . A 7 GLU HB2 H 1 1.9500 . A 7 GLU HB3 H 1 1.9500 . A 7 GLU HG2 H 1 2.3000 . A 7 GLU HG3 H 1 2.4000 . A 7 GLU C C 13 179.5880 . A 7 GLU CA C 13 59.9400 . A 7 GLU CB C 13 28.8330 . A 7 GLU CG C 13 36.9000 . A 7 GLU N N 15 120.0000 . A 8 GLN H H 1 7.7550 . A 8 GLN HA H 1 3.8300 . A 8 GLN HB2 H 1 1.5500 . A 8 GLN HB3 H 1 2.3000 . A 8 GLN HG2 H 1 2.2930 . A 8 GLN HG3 H 1 2.2930 . A 8 GLN C C 13 178.1790 . A 8 GLN CA C 13 58.3200 . A 8 GLN CB C 13 29.2330 . A 8 GLN CG C 13 34.8730 . A 8 GLN N N 15 120.7980 . A 9 ILE H H 1 8.2530 . A 9 ILE HA H 1 3.6000 . A 9 ILE HB H 1 1.9410 . A 9 ILE HG12 H 1 1.1000 . A 9 ILE HG13 H 1 1.8300 . A 9 ILE C C 13 178.1470 . A 9 ILE CA C 13 66.6200 . A 9 ILE CB C 13 37.6520 . A 9 ILE CD1 C 13 12.8430 . A 9 ILE CG1 C 13 30.2330 . A 9 ILE CG2 C 13 17.3150 . A 9 ILE N N 15 119.0280 . A 10 ALA H H 1 8.0510 . A 10 ALA HA H 1 4.1400 . A 10 ALA C C 13 181.2790 . A 10 ALA CA C 13 55.2520 . A 10 ALA CB C 13 17.5000 . A 10 ALA N N 15 120.5870 . A 11 GLU H H 1 7.7950 . A 11 GLU HA H 1 4.1950 . A 11 GLU HB2 H 1 2.0080 . A 11 GLU HB3 H 1 2.0080 . A 11 GLU HG2 H 1 2.4200 . A 11 GLU HG3 H 1 2.1660 . A 11 GLU C C 13 180.5420 . A 11 GLU CA C 13 59.3540 . A 11 GLU CB C 13 29.2340 . A 11 GLU CG C 13 36.2450 . A 11 GLU N N 15 120.4360 . A 12 PHE H H 1 8.5410 . A 12 PHE HA H 1 5.0500 . A 12 PHE HB2 H 1 3.6000 . A 12 PHE HB3 H 1 3.4400 . A 12 PHE HZ H 1 6.7000 . A 12 PHE C C 13 179.1550 . A 12 PHE CA C 13 58.7600 . A 12 PHE CB C 13 37.0000 . A 12 PHE N N 15 120.6540 . A 13 LYS H H 1 9.2790 . A 13 LYS HA H 1 3.9930 . A 13 LYS HB2 H 1 1.8600 . A 13 LYS HB3 H 1 1.9020 . A 13 LYS HD2 H 1 1.1700 . A 13 LYS HD3 H 1 1.3300 . A 13 LYS HE2 H 1 2.5400 . A 13 LYS HE3 H 1 2.5400 . A 13 LYS HG2 H 1 1.1500 . A 13 LYS HG3 H 1 1.0000 . A 13 LYS C C 13 179.5230 . A 13 LYS CA C 13 59.9400 . A 13 LYS CB C 13 31.7330 . A 13 LYS CD C 13 28.7330 . A 13 LYS CE C 13 41.7510 . A 13 LYS CG C 13 25.4330 . A 13 LYS N N 15 123.6000 . A 14 GLU H H 1 8.0360 . A 14 GLU HA H 1 4.1210 . A 14 GLU HB2 H 1 2.2700 . A 14 GLU HB3 H 1 2.2700 . A 14 GLU HG2 H 1 2.2500 . A 14 GLU HG3 H 1 2.4200 . A 14 GLU C C 13 179.8590 . A 14 GLU CA C 13 59.3540 . A 14 GLU CB C 13 29.7330 . A 14 GLU CG C 13 36.1840 . A 14 GLU N N 15 121.1500 . A 15 ALA H H 1 8.0340 . A 15 ALA HA H 1 4.3490 . A 15 ALA C C 13 178.7850 . A 15 ALA CA C 13 55.2520 . A 15 ALA CB C 13 18.0000 . A 15 ALA N N 15 122.0100 . A 16 PHE H H 1 8.6330 . A 16 PHE HA H 1 3.3000 . A 16 PHE HB2 H 1 2.9200 . A 16 PHE HB3 H 1 3.2200 . A 16 PHE HZ H 1 7.1200 . A 16 PHE C C 13 178.5340 . A 16 PHE CA C 13 62.0000 . A 16 PHE CB C 13 40.0000 . A 16 PHE N N 15 119.0320 . A 17 SER H H 1 8.2150 . A 17 SER HA H 1 4.1000 . A 17 SER HB2 H 1 4.0500 . A 17 SER HB3 H 1 4.0500 . A 17 SER C C 13 174.6390 . A 17 SER CA C 13 61.5000 . A 17 SER CB C 13 63.5000 . A 17 SER N N 15 113.7860 . A 18 LEU H H 1 7.4170 . A 18 LEU HA H 1 3.8800 . A 18 LEU HB2 H 1 1.7000 . A 18 LEU HB3 H 1 1.0500 . A 18 LEU HG H 1 1.7400 . A 18 LEU C C 13 177.1510 . A 18 LEU CA C 13 56.5000 . A 18 LEU CB C 13 41.5000 . A 18 LEU CD1 C 13 23.3330 . A 18 LEU CD2 C 13 23.6330 . A 18 LEU CG C 13 27.2330 . A 18 LEU N N 15 120.1130 . A 19 PHE H H 1 7.0430 . A 19 PHE HA H 1 4.4000 . A 19 PHE HB2 H 1 2.8800 . A 19 PHE HB3 H 1 2.6200 . A 19 PHE C C 13 175.6990 . A 19 PHE CA C 13 58.4000 . A 19 PHE CB C 13 41.9000 . A 19 PHE N N 15 112.0700 . A 20 ASP H H 1 7.4840 . A 20 ASP HA H 1 4.6000 . A 20 ASP HB2 H 1 1.5310 . A 20 ASP HB3 H 1 2.3290 . A 20 ASP C C 13 177.6250 . A 20 ASP CA C 13 52.3220 . A 20 ASP CB C 13 39.4300 . A 20 ASP N N 15 116.2230 . A 21 LYS H H 1 7.6010 . A 21 LYS HA H 1 4.0000 . A 21 LYS HB2 H 1 2.4500 . A 21 LYS HB3 H 1 2.4500 . A 21 LYS HD2 H 1 1.6000 . A 21 LYS HD3 H 1 1.8500 . A 21 LYS HE2 H 1 2.8500 . A 21 LYS HE3 H 1 3.0000 . A 21 LYS HG2 H 1 1.4800 . A 21 LYS HG3 H 1 1.5300 . A 21 LYS C C 13 178.5130 . A 21 LYS CA C 13 57.7000 . A 21 LYS CB C 13 34.2000 . A 21 LYS CD C 13 28.0330 . A 21 LYS CE C 13 41.5470 . A 21 LYS CG C 13 23.7330 . A 21 LYS N N 15 124.5440 . A 22 ASP H H 1 8.2410 . A 22 ASP HA H 1 4.6340 . A 22 ASP HB2 H 1 2.7000 . A 22 ASP HB3 H 1 3.0960 . A 22 ASP C C 13 178.0390 . A 22 ASP CA C 13 52.9080 . A 22 ASP CB C 13 40.0160 . A 22 ASP N N 15 114.3200 . A 23 GLY H H 1 7.6800 . A 23 GLY HA2 H 1 3.9000 . A 23 GLY HA3 H 1 3.8300 . A 23 GLY C C 13 175.4270 . A 23 GLY CA C 13 47.0480 . A 23 GLY N N 15 109.4780 . A 24 ASP H H 1 8.5230 . A 24 ASP HA H 1 4.5000 . A 24 ASP HB2 H 1 2.5000 . A 24 ASP HB3 H 1 3.0500 . A 24 ASP C C 13 177.6600 . A 24 ASP CA C 13 54.0800 . A 24 ASP CB C 13 40.6020 . A 24 ASP N N 15 121.0070 . A 25 GLY H H 1 10.5390 . A 25 GLY HA2 H 1 3.7080 . A 25 GLY HA3 H 1 4.3980 . A 25 GLY C C 13 174.1980 . A 25 GLY CA C 13 45.2900 . A 25 GLY N N 15 112.9610 . A 26 THR H H 1 8.3040 . A 26 THR HA H 1 5.5600 . A 26 THR HB H 1 3.8800 . A 26 THR C C 13 173.9910 . A 26 THR CA C 13 59.5000 . A 26 THR CB C 13 73.2990 . A 26 THR CG2 C 13 22.6330 . A 26 THR N N 15 112.5930 . A 27 ILE H H 1 9.9880 . A 27 ILE HA H 1 4.7500 . A 27 ILE HB H 1 1.7800 . A 27 ILE HG12 H 1 1.2000 . A 27 ILE HG13 H 1 0.2000 . A 27 ILE C C 13 176.3380 . A 27 ILE CA C 13 61.1120 . A 27 ILE CB C 13 40.0000 . A 27 ILE CD1 C 13 15.7330 . A 27 ILE CG1 C 13 26.4330 . A 27 ILE CG2 C 13 17.7330 . A 27 ILE N N 15 126.8680 . A 28 THR H H 1 8.2330 . A 28 THR HA H 1 4.8500 . A 28 THR HB H 1 4.9500 . A 28 THR C C 13 176.4220 . A 28 THR CA C 13 59.0000 . A 28 THR CB C 13 72.7130 . A 28 THR CG2 C 13 21.5300 . A 28 THR N N 15 116.2370 . A 29 THR H H 1 9.3160 . A 29 THR HA H 1 3.8000 . A 29 THR HB H 1 4.2100 . A 29 THR C C 13 177.7720 . A 29 THR CA C 13 66.7670 . A 29 THR CB C 13 68.6110 . A 29 THR CG2 C 13 23.6330 . A 29 THR N N 15 114.6600 . A 30 LYS H H 1 7.9000 . A 30 LYS HA H 1 4.1280 . A 30 LYS HB2 H 1 1.8500 . A 30 LYS HB3 H 1 1.8500 . A 30 LYS HD2 H 1 1.7000 . A 30 LYS HD3 H 1 1.7000 . A 30 LYS HE2 H 1 3.0000 . A 30 LYS HE3 H 1 3.0000 . A 30 LYS HG2 H 1 1.4000 . A 30 LYS HG3 H 1 1.5000 . A 30 LYS C C 13 180.1940 . A 30 LYS CA C 13 59.3540 . A 30 LYS CB C 13 32.1640 . A 30 LYS CD C 13 29.2330 . A 30 LYS CE C 13 42.0700 . A 30 LYS CG C 13 25.2330 . A 30 LYS N N 15 121.3000 . A 31 GLU H H 1 7.9000 . A 31 GLU HA H 1 4.0000 . A 31 GLU HB2 H 1 2.4000 . A 31 GLU HB3 H 1 2.8000 . A 31 GLU HG2 H 1 2.5500 . A 31 GLU HG3 H 1 2.3500 . A 31 GLU C C 13 178.9640 . A 31 GLU CA C 13 59.9400 . A 31 GLU CB C 13 29.8200 . A 31 GLU CG C 13 38.4380 . A 31 GLU N N 15 122.1840 . A 32 LEU H H 1 8.6000 . A 32 LEU HA H 1 4.1500 . A 32 LEU HB2 H 1 1.4000 . A 32 LEU HB3 H 1 1.9050 . A 32 LEU HG H 1 0.8300 . A 32 LEU C C 13 179.1900 . A 32 LEU CA C 13 58.1820 . A 32 LEU CB C 13 42.3600 . A 32 LEU CD1 C 13 23.3330 . A 32 LEU CD2 C 13 26.7330 . A 32 LEU CG C 13 26.7330 . A 32 LEU N N 15 120.0000 . A 33 GLY H H 1 8.7300 . A 33 GLY HA2 H 1 3.5500 . A 33 GLY HA3 H 1 3.9700 . A 33 GLY C C 13 175.3710 . A 33 GLY CA C 13 48.8060 . A 33 GLY N N 15 105.4120 . A 34 THR H H 1 8.1040 . A 34 THR HA H 1 3.9500 . A 34 THR HB H 1 4.3500 . A 34 THR C C 13 177.6810 . A 34 THR CA C 13 66.7670 . A 34 THR CB C 13 69.1970 . A 34 THR CG2 C 13 21.4330 . A 34 THR N N 15 118.7620 . A 35 VAL H H 1 8.2300 . A 35 VAL HA H 1 3.6700 . A 35 VAL HB H 1 2.2000 . A 35 VAL C C 13 179.6910 . A 35 VAL CA C 13 66.5670 . A 35 VAL CB C 13 31.8330 . A 35 VAL CG1 C 13 20.8330 . A 35 VAL CG2 C 13 23.6330 . A 35 VAL N N 15 122.9430 . A 36 MET H H 1 8.7460 . A 36 MET HA H 1 4.1240 . A 36 MET HB2 H 1 1.7300 . A 36 MET HB3 H 1 2.0500 . A 36 MET HG2 H 1 2.4040 . A 36 MET HG3 H 1 2.6000 . A 36 MET C C 13 179.5180 . A 36 MET CA C 13 58.4000 . A 36 MET CB C 13 31.2330 . A 36 MET CE C 13 15.2000 . A 36 MET CG C 13 32.7330 . A 36 MET N N 15 118.0740 . A 37 ARG H H 1 8.5590 . A 37 ARG HA H 1 4.8500 . A 37 ARG HB2 H 1 1.9600 . A 37 ARG HB3 H 1 1.9600 . A 37 ARG HD2 H 1 3.3000 . A 37 ARG HD3 H 1 3.1000 . A 37 ARG C C 13 181.6080 . A 37 ARG CA C 13 59.3540 . A 37 ARG CB C 13 29.8200 . A 37 ARG CD C 13 43.4600 . A 37 ARG N N 15 118.9310 . A 38 SER H H 1 8.0750 . A 38 SER HA H 1 4.4450 . A 38 SER HB2 H 1 3.8700 . A 38 SER HB3 H 1 4.0950 . A 38 SER C C 13 175.2120 . A 38 SER CA C 13 61.6980 . A 38 SER CB C 13 62.7330 . A 38 SER N N 15 119.1640 . A 39 LEU H H 1 7.4190 . A 39 LEU HA H 1 4.2300 . A 39 LEU HB2 H 1 1.7500 . A 39 LEU HB3 H 1 1.9000 . A 39 LEU HG H 1 0.8500 . A 39 LEU C C 13 177.7400 . A 39 LEU CA C 13 54.3030 . A 39 LEU CB C 13 41.7740 . A 39 LEU CD1 C 13 22.7330 . A 39 LEU CD2 C 13 22.7330 . A 39 LEU CG C 13 25.9330 . A 39 LEU N N 15 120.6670 . A 40 GLY H H 1 7.9000 . A 40 GLY HA2 H 1 3.7500 . A 40 GLY HA3 H 1 4.4300 . A 40 GLY C C 13 174.7230 . A 40 GLY CA C 13 45.5000 . A 40 GLY N N 15 107.1750 . A 41 GLN H H 1 7.7460 . A 41 GLN HA H 1 4.1300 . A 41 GLN HB2 H 1 2.1500 . A 41 GLN HB3 H 1 2.1500 . A 41 GLN C C 13 174.4280 . A 41 GLN CA C 13 55.0000 . A 41 GLN CB C 13 29.8200 . A 41 GLN N N 15 117.9180 . A 42 ASN H H 1 8.2500 . A 42 ASN HA H 1 4.6000 . A 42 ASN HB2 H 1 2.0500 . A 42 ASN HB3 H 1 1.8500 . A 42 ASN N N 15 119.0000 . A 43 PRO HA H 1 5.2000 . A 43 PRO HB2 H 1 2.2000 . A 43 PRO HB3 H 1 2.2000 . A 43 PRO HD2 H 1 3.2000 . A 43 PRO HD3 H 1 3.6000 . A 43 PRO HG2 H 1 1.9500 . A 43 PRO HG3 H 1 1.9500 . A 43 PRO C C 13 177.9090 . A 43 PRO CA C 13 62.2840 . A 43 PRO CB C 13 31.7330 . A 43 PRO CD C 13 50.0000 . A 43 PRO CG C 13 31.7330 . A 44 THR H H 1 8.9820 . A 44 THR HA H 1 4.4500 . A 44 THR HB H 1 4.7000 . A 44 THR C C 13 175.4830 . A 44 THR CA C 13 60.5260 . A 44 THR CB C 13 71.5410 . A 44 THR CG2 C 13 21.8560 . A 44 THR N N 15 113.3900 . A 45 GLU H H 1 8.8540 . A 45 GLU HA H 1 3.9500 . A 45 GLU HB2 H 1 2.1400 . A 45 GLU HB3 H 1 2.6000 . A 45 GLU HG2 H 1 2.3720 . A 45 GLU HG3 H 1 2.3720 . A 45 GLU C C 13 179.3480 . A 45 GLU CA C 13 59.0000 . A 45 GLU CB C 13 29.7330 . A 45 GLU CG C 13 36.2720 . A 45 GLU N N 15 120.6320 . A 46 ALA H H 1 8.2950 . A 46 ALA HA H 1 4.1210 . A 46 ALA C C 13 180.3490 . A 46 ALA CA C 13 55.2520 . A 46 ALA CB C 13 18.5000 . A 46 ALA N N 15 121.0350 . A 47 GLU H H 1 7.7180 . A 47 GLU HA H 1 3.9370 . A 47 GLU HB2 H 1 2.1500 . A 47 GLU HB3 H 1 2.6000 . A 47 GLU C C 13 180.5080 . A 47 GLU CA C 13 58.0000 . A 47 GLU CB C 13 29.8200 . A 47 GLU CG C 13 37.6530 . A 47 GLU N N 15 118.8650 . A 48 LEU H H 1 8.0070 . A 48 LEU HA H 1 3.9000 . A 48 LEU HB2 H 1 2.0640 . A 48 LEU HB3 H 1 1.2160 . A 48 LEU HG H 1 1.7000 . A 48 LEU C C 13 178.8090 . A 48 LEU CA C 13 58.0000 . A 48 LEU CB C 13 42.3600 . A 48 LEU CD1 C 13 23.2330 . A 48 LEU CD2 C 13 23.2330 . A 48 LEU CG C 13 26.6330 . A 48 LEU N N 15 119.6470 . A 49 GLN H H 1 8.3100 . A 49 GLN HA H 1 3.9590 . A 49 GLN HB2 H 1 2.6000 . A 49 GLN HB3 H 1 2.1500 . A 49 GLN HG2 H 1 2.4530 . A 49 GLN HG3 H 1 2.4530 . A 49 GLN C C 13 178.7840 . A 49 GLN CA C 13 58.7680 . A 49 GLN CB C 13 29.7330 . A 49 GLN CG C 13 33.9320 . A 49 GLN N N 15 118.8100 . A 50 ASP H H 1 8.2500 . A 50 ASP HA H 1 4.0000 . A 50 ASP HB2 H 1 2.3000 . A 50 ASP HB3 H 1 3.1000 . A 50 ASP C C 13 179.3790 . A 50 ASP CA C 13 58.0000 . A 50 ASP CB C 13 38.0000 . A 50 ASP N N 15 120.1260 . A 51 MET H H 1 7.7130 . A 51 MET HA H 1 4.0570 . A 51 MET HB2 H 1 1.9420 . A 51 MET HB3 H 1 1.9420 . A 51 MET HG2 H 1 2.5600 . A 51 MET HG3 H 1 2.5600 . A 51 MET C C 13 180.0780 . A 51 MET CA C 13 60.5260 . A 51 MET CB C 13 28.6480 . A 51 MET CE C 13 18.0000 . A 51 MET CG C 13 31.5120 . A 51 MET N N 15 119.5830 . A 52 ILE H H 1 8.0540 . A 52 ILE HA H 1 3.9500 . A 52 ILE HB H 1 2.2300 . A 52 ILE HG12 H 1 1.6000 . A 52 ILE HG13 H 1 1.6500 . A 52 ILE C C 13 178.7520 . A 52 ILE CA C 13 63.6900 . A 52 ILE CB C 13 36.5000 . A 52 ILE CD1 C 13 11.2330 . A 52 ILE CG1 C 13 27.8130 . A 52 ILE CG2 C 13 16.8330 . A 52 ILE N N 15 121.1280 . A 53 ASN H H 1 8.9700 . A 53 ASN HA H 1 4.3500 . A 53 ASN HB2 H 1 2.9000 . A 53 ASN HB3 H 1 3.0000 . A 53 ASN C C 13 177.2880 . A 53 ASN CA C 13 55.5000 . A 53 ASN CB C 13 37.6720 . A 53 ASN N N 15 118.7850 . A 54 GLU H H 1 7.6920 . A 54 GLU HA H 1 4.0100 . A 54 GLU HB2 H 1 2.8000 . A 54 GLU HB3 H 1 2.4000 . A 54 GLU C C 13 177.0920 . A 54 GLU CA C 13 60.0000 . A 54 GLU CB C 13 30.4060 . A 54 GLU N N 15 117.1930 . A 55 VAL H H 1 7.2000 . A 55 VAL HA H 1 4.0500 . A 55 VAL HB H 1 1.8960 . A 55 VAL C C 13 175.9280 . A 55 VAL CA C 13 61.4000 . A 55 VAL CB C 13 33.5700 . A 55 VAL CG1 C 13 22.7330 . A 55 VAL CG2 C 13 22.7330 . A 55 VAL N N 15 113.6210 . A 56 ASP H H 1 7.8900 . A 56 ASP HA H 1 4.5470 . A 56 ASP HB2 H 1 2.4500 . A 56 ASP HB3 H 1 2.7000 . A 56 ASP C C 13 176.0320 . A 56 ASP CA C 13 54.0800 . A 56 ASP CB C 13 40.6020 . A 56 ASP N N 15 120.4760 . A 57 ALA H H 1 8.2000 . A 57 ALA HA H 1 4.5000 . A 57 ALA C C 13 179.0190 . A 57 ALA CA C 13 54.0800 . A 57 ALA CB C 13 20.0000 . A 57 ALA N N 15 106.0000 . A 58 ASP H H 1 8.2880 . A 58 ASP HA H 1 4.6500 . A 58 ASP HB2 H 1 2.6720 . A 58 ASP HB3 H 1 3.0500 . A 58 ASP C C 13 178.2630 . A 58 ASP CA C 13 52.9080 . A 58 ASP CB C 13 39.6700 . A 58 ASP N N 15 114.2170 . A 59 GLY H H 1 7.6510 . A 59 GLY HA2 H 1 3.6000 . A 59 GLY HA3 H 1 4.0000 . A 59 GLY C C 13 175.2780 . A 59 GLY CA C 13 48.0000 . A 59 GLY N N 15 108.7480 . A 60 ASN H H 1 8.2440 . A 60 ASN HA H 1 4.6150 . A 60 ASN HB2 H 1 2.7000 . A 60 ASN HB3 H 1 3.3000 . A 60 ASN C C 13 177.1110 . A 60 ASN CA C 13 52.7050 . A 60 ASN CB C 13 37.6720 . A 60 ASN N N 15 119.0220 . A 61 GLY H H 1 10.5190 . A 61 GLY HA2 H 1 4.3000 . A 61 GLY HA3 H 1 3.5500 . A 61 GLY C C 13 173.5750 . A 61 GLY CA C 13 45.2900 . A 61 GLY N N 15 113.3520 . A 62 THR H H 1 7.6990 . A 62 THR HA H 1 4.5000 . A 62 THR HB H 1 4.0500 . A 62 THR C C 13 173.5220 . A 62 THR CA C 13 59.3540 . A 62 THR CB C 13 72.0000 . A 62 THR CG2 C 13 22.4330 . A 62 THR N N 15 108.7280 . A 63 ILE H H 1 8.7180 . A 63 ILE HA H 1 5.2300 . A 63 ILE HB H 1 2.1020 . A 63 ILE HG12 H 1 1.2000 . A 63 ILE HG13 H 1 1.5700 . A 63 ILE C C 13 175.7830 . A 63 ILE CA C 13 59.3540 . A 63 ILE CB C 13 40.0160 . A 63 ILE CD1 C 13 14.6330 . A 63 ILE CG1 C 13 27.2330 . A 63 ILE CG2 C 13 19.2330 . A 63 ILE N N 15 123.7710 . A 64 ASP H H 1 8.8130 . A 64 ASP HA H 1 5.6000 . A 64 ASP HB2 H 1 2.8170 . A 64 ASP HB3 H 1 3.1600 . A 64 ASP C C 13 176.0960 . A 64 ASP CA C 13 51.7360 . A 64 ASP CB C 13 42.3600 . A 64 ASP N N 15 127.8600 . A 65 PHE H H 1 9.0160 . A 65 PHE HA H 1 3.9500 . A 65 PHE HB2 H 1 2.8100 . A 65 PHE HB3 H 1 2.0500 . A 65 PHE C C 13 173.8680 . A 65 PHE CA C 13 63.1040 . A 65 PHE CB C 13 36.0200 . A 65 PHE N N 15 118.4990 . A 66 PRO HA H 1 3.8500 . A 66 PRO HB2 H 1 2.1900 . A 66 PRO HB3 H 1 1.8900 . A 66 PRO HD2 H 1 3.7600 . A 66 PRO HD3 H 1 3.7600 . A 66 PRO HG2 H 1 1.8500 . A 66 PRO HG3 H 1 2.1500 . A 66 PRO C C 13 179.6480 . A 66 PRO CA C 13 66.7670 . A 66 PRO CB C 13 30.8330 . A 66 PRO CD C 13 49.0000 . A 66 PRO CG C 13 28.2990 . A 67 GLU H H 1 8.3510 . A 67 GLU HA H 1 4.0500 . A 67 GLU HB2 H 1 2.1530 . A 67 GLU HB3 H 1 2.2500 . A 67 GLU HG2 H 1 2.6100 . A 67 GLU HG3 H 1 2.2800 . A 67 GLU C C 13 179.6700 . A 67 GLU CA C 13 59.3540 . A 67 GLU CB C 13 28.2330 . A 67 GLU CG C 13 35.0000 . A 67 GLU N N 15 117.9640 . A 68 PHE H H 1 8.5020 . A 68 PHE HA H 1 3.9280 . A 68 PHE HB2 H 1 3.0500 . A 68 PHE HB3 H 1 3.3000 . A 68 PHE C C 13 176.7920 . A 68 PHE CA C 13 62.5000 . A 68 PHE CB C 13 40.7000 . A 68 PHE N N 15 124.0090 . A 69 LEU H H 1 9.0620 . A 69 LEU HA H 1 3.3500 . A 69 LEU HB2 H 1 1.2800 . A 69 LEU HB3 H 1 1.0100 . A 69 LEU HG H 1 1.1500 . A 69 LEU C C 13 178.4680 . A 69 LEU CA C 13 57.9190 . A 69 LEU CB C 13 41.0000 . A 69 LEU CD1 C 13 25.2330 . A 69 LEU CD2 C 13 23.6330 . A 69 LEU CG C 13 26.7330 . A 69 LEU N N 15 119.9860 . A 70 THR H H 1 7.7100 . A 70 THR HA H 1 4.1000 . A 70 THR HB H 1 3.6500 . A 70 THR C C 13 176.3910 . A 70 THR CA C 13 61.8330 . A 70 THR CB C 13 68.2670 . A 70 THR CG2 C 13 21.3440 . A 70 THR N N 15 114.8340 . A 71 MET H H 1 7.0340 . A 71 MET HA H 1 3.8500 . A 71 MET HB2 H 1 2.0100 . A 71 MET HB3 H 1 2.1000 . A 71 MET HG2 H 1 1.8000 . A 71 MET HG3 H 1 1.8000 . A 71 MET C C 13 178.1450 . A 71 MET CA C 13 58.7680 . A 71 MET CB C 13 31.2330 . A 71 MET CE C 13 15.6000 . A 71 MET N N 15 120.2330 . A 72 MET H H 1 7.8390 . A 72 MET HA H 1 3.8000 . A 72 MET HB2 H 1 1.4000 . A 72 MET HB3 H 1 1.5300 . A 72 MET HG2 H 1 0.7300 . A 72 MET HG3 H 1 0.9800 . A 72 MET C C 13 178.9300 . A 72 MET CA C 13 56.5000 . A 72 MET CB C 13 32.7330 . A 72 MET CE C 13 15.8000 . A 72 MET CG C 13 30.2330 . A 72 MET N N 15 118.6210 . A 73 ALA H H 1 8.2400 . A 73 ALA HA H 1 4.1350 . A 73 ALA C C 13 179.3320 . A 73 ALA CA C 13 54.0800 . A 73 ALA CB C 13 18.4530 . A 73 ALA N N 15 120.5670 . A 74 ARG H H 1 7.3820 . A 74 ARG HA H 1 4.1370 . A 74 ARG HB2 H 1 1.9000 . A 74 ARG HB3 H 1 1.9000 . A 74 ARG HD2 H 1 3.1520 . A 74 ARG HD3 H 1 3.3500 . A 74 ARG HG2 H 1 1.6500 . A 74 ARG HG3 H 1 1.7800 . A 74 ARG C C 13 177.5110 . A 74 ARG CA C 13 57.5960 . A 74 ARG CB C 13 30.4060 . A 74 ARG CD C 13 43.7810 . A 74 ARG CG C 13 27.2330 . A 74 ARG N N 15 116.7840 . A 75 LYS H H 1 7.7320 . A 75 LYS HA H 1 4.3060 . A 75 LYS HB2 H 1 1.8000 . A 75 LYS HB3 H 1 1.9000 . A 75 LYS HD2 H 1 2.4890 . A 75 LYS HD3 H 1 2.4890 . A 75 LYS HE2 H 1 2.7200 . A 75 LYS HE3 H 1 2.7200 . A 75 LYS HG2 H 1 1.5000 . A 75 LYS HG3 H 1 1.5000 . A 75 LYS C C 13 176.9370 . A 75 LYS CA C 13 55.0000 . A 75 LYS CB C 13 32.7500 . A 75 LYS CD C 13 28.6890 . A 75 LYS CE C 13 42.0810 . A 75 LYS CG C 13 24.5450 . A 75 LYS N N 15 118.5480 . A 76 MET H H 1 7.8630 . A 76 MET HA H 1 4.4430 . A 76 MET HB2 H 1 1.8000 . A 76 MET HB3 H 1 1.9000 . A 76 MET HG2 H 1 2.7000 . A 76 MET HG3 H 1 2.7000 . A 76 MET C C 13 175.5390 . A 76 MET CA C 13 55.5000 . A 76 MET CB C 13 32.7330 . A 76 MET CG C 13 31.8980 . A 76 MET N N 15 120.3670 . A 77 LYS H H 1 7.8490 . A 77 LYS HA H 1 4.2000 . A 77 LYS HB2 H 1 1.7630 . A 77 LYS HB3 H 1 1.7630 . A 77 LYS HG2 H 1 1.4310 . A 77 LYS HG3 H 1 1.4310 . A 77 LYS C C 13 181.5590 . A 77 LYS CA C 13 57.5960 . A 77 LYS CB C 13 33.5700 . A 77 LYS N N 15 127.5000 . B 46 THR C C 13 175.4630 . B 46 THR CA C 13 62.3240 . B 46 THR CB C 13 70.0880 . B 47 GLY H H 1 8.7200 . B 47 GLY HA2 H 1 3.9830 . B 47 GLY HA3 H 1 3.9830 . B 47 GLY C C 13 174.9980 . B 47 GLY CA C 13 45.9210 . B 47 GLY N N 15 111.2320 . B 48 ALA H H 1 8.3650 . B 48 ALA HA H 1 4.2820 . B 48 ALA C C 13 177.8660 . B 48 ALA CA C 13 53.8250 . B 48 ALA CB C 13 19.3870 . B 48 ALA N N 15 124.4170 . B 49 ALA H H 1 8.3180 . B 49 ALA HA H 1 4.2460 . B 49 ALA C C 13 178.6470 . B 49 ALA CA C 13 53.1710 . B 49 ALA CB C 13 16.1490 . B 49 ALA N N 15 122.1290 . B 50 LEU H H 1 8.1260 . B 50 LEU HA H 1 4.1250 . B 50 LEU HB2 H 1 1.6050 . B 50 LEU HB3 H 1 1.5970 . B 50 LEU HG H 1 1.3600 . B 50 LEU C C 13 177.3670 . B 50 LEU CA C 13 55.7260 . B 50 LEU CB C 13 42.1000 . B 50 LEU N N 15 120.8170 . B 51 SER H H 1 7.9170 . B 51 SER HB2 H 1 3.9010 . B 51 SER HB3 H 1 3.9010 . B 51 SER C C 13 175.9390 . B 51 SER CA C 13 61.4290 . B 51 SER N N 15 116.2730 . B 52 TRP H H 1 8.7320 . B 52 TRP HA H 1 4.5970 . B 52 TRP HB2 H 1 3.0170 . B 52 TRP HB3 H 1 3.1070 . B 52 TRP HD1 H 1 7.3180 . B 52 TRP HE3 H 1 9.9490 . B 52 TRP HH2 H 1 6.5820 . B 52 TRP HZ2 H 1 6.9020 . B 52 TRP HZ3 H 1 5.8070 . B 52 TRP C C 13 178.3770 . B 52 TRP CA C 13 61.6650 . B 52 TRP CB C 13 29.3880 . B 52 TRP N N 15 123.1320 . B 53 GLN H H 1 8.4800 . B 53 GLN HA H 1 3.9690 . B 53 GLN HB2 H 1 2.1000 . B 53 GLN HB3 H 1 2.1520 . B 53 GLN HG2 H 1 2.4280 . B 53 GLN HG3 H 1 2.4280 . B 53 GLN C C 13 177.7790 . B 53 GLN CA C 13 59.3320 . B 53 GLN CB C 13 28.1500 . B 53 GLN N N 15 117.1150 . B 54 ALA H H 1 8.0030 . B 54 ALA HA H 1 4.2680 . B 54 ALA C C 13 181.0230 . B 54 ALA CA C 13 54.6400 . B 54 ALA CB C 13 18.6090 . B 54 ALA N N 15 120.5570 . B 55 ALA H H 1 8.2830 . B 55 ALA HA H 1 4.1170 . B 55 ALA C C 13 179.0690 . B 55 ALA CA C 13 55.4780 . B 55 ALA CB C 13 18.2350 . B 55 ALA N N 15 122.4420 . B 56 ILE H H 1 8.6820 . B 56 ILE HA H 1 3.8110 . B 56 ILE HB H 1 2.0960 . B 56 ILE HG12 H 1 1.0390 . B 56 ILE HG13 H 1 1.0390 . B 56 ILE C C 13 177.9680 . B 56 ILE CA C 13 65.9500 . B 56 ILE CB C 13 38.3150 . B 56 ILE N N 15 119.0350 . B 57 ASP H H 1 8.3930 . B 57 ASP HA H 1 4.4000 . B 57 ASP HB2 H 1 2.6790 . B 57 ASP HB3 H 1 2.7500 . B 57 ASP C C 13 179.1170 . B 57 ASP CA C 13 53.6900 . B 57 ASP CB C 13 40.6400 . B 57 ASP N N 15 119.1600 . B 58 ALA H H 1 8.1530 . B 58 ALA HA H 1 4.5000 . B 58 ALA C C 13 180.6050 . B 58 ALA CA C 13 54.9680 . B 58 ALA CB C 13 18.5340 . B 58 ALA N N 15 122.0770 . B 59 ALA H H 1 8.8070 . B 59 ALA HA H 1 4.0460 . B 59 ALA C C 13 180.3850 . B 59 ALA CA C 13 54.9290 . B 59 ALA CB C 13 18.3950 . B 59 ALA N N 15 123.1200 . B 60 ARG H H 1 8.6740 . B 60 ARG HA H 1 3.9880 . B 60 ARG HB2 H 1 2.0050 . B 60 ARG HB3 H 1 2.0050 . B 60 ARG HD2 H 1 3.2520 . B 60 ARG HD3 H 1 3.2520 . B 60 ARG HG2 H 1 1.6910 . B 60 ARG HG3 H 1 1.6910 . B 60 ARG C C 13 179.3480 . B 60 ARG CA C 13 59.6080 . B 60 ARG CB C 13 30.2950 . B 60 ARG N N 15 119.7050 . B 61 GLN H H 1 8.0530 . B 61 GLN HA H 1 4.0960 . B 61 GLN HB2 H 1 2.1500 . B 61 GLN HB3 H 1 2.2150 . B 61 GLN HG2 H 1 2.4860 . B 61 GLN HG3 H 1 2.4860 . B 61 GLN C C 13 177.6150 . B 61 GLN CA C 13 58.2300 . B 61 GLN CB C 13 28.4770 . B 61 GLN N N 15 119.1320 . B 62 ALA H H 1 7.9200 . B 62 ALA HA H 1 4.1770 . B 62 ALA C C 13 179.3110 . B 62 ALA CA C 13 53.9470 . B 62 ALA CB C 13 18.5360 . B 62 ALA N N 15 120.9100 . B 63 LYS H H 1 7.6800 . B 63 LYS HA H 1 4.1560 . B 63 LYS HB2 H 1 1.9210 . B 63 LYS HB3 H 1 1.9210 . B 63 LYS HE2 H 1 2.9190 . B 63 LYS HE3 H 1 2.9190 . B 63 LYS HG2 H 1 1.4480 . B 63 LYS HG3 H 1 1.6630 . B 63 LYS C C 13 178.3240 . B 63 LYS CA C 13 57.8870 . B 63 LYS CB C 13 31.7800 . B 63 LYS N N 15 117.8630 . B 64 LEU H H 1 7.8950 . B 64 LEU HA H 1 4.1930 . B 64 LEU HB2 H 1 1.7040 . B 64 LEU HB3 H 1 1.7040 . B 64 LEU C C 13 178.4590 . B 64 LEU CA C 13 56.4430 . B 64 LEU CB C 13 42.1610 . B 64 LEU N N 15 119.6970 . B 65 MET H H 1 7.9580 . B 65 MET HA H 1 4.4720 . B 65 MET HB2 H 1 2.1710 . B 65 MET HB3 H 1 2.1710 . B 65 MET HG2 H 1 2.6250 . B 65 MET HG3 H 1 2.6250 . B 65 MET C C 13 177.0530 . B 65 MET CA C 13 55.8890 . B 65 MET CB C 13 33.0100 . B 65 MET N N 15 117.1840 . B 66 GLY H H 1 8.1150 . B 66 GLY HA2 H 1 4.0380 . B 66 GLY HA3 H 1 4.0380 . B 66 GLY C C 13 174.1370 . B 66 GLY CA C 13 45.5900 . B 66 GLY N N 15 108.6470 . B 67 SER H H 1 8.1270 . B 67 SER HA H 1 4.4720 . B 67 SER HB2 H 1 4.1000 . B 67 SER HB3 H 1 3.8770 . B 67 SER C C 13 173.3000 . B 67 SER CA C 13 58.1820 . B 67 SER CB C 13 64.3890 . B 67 SER N N 15 115.6220 . B 68 ALA H H 1 7.9840 . B 68 ALA HA H 1 4.2000 . B 68 ALA CA C 13 54.1160 . B 68 ALA CB C 13 20.2480 . B 68 ALA N N 15 131.3510 . 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 8 GLN HB3 A 4 LEU HB3 1.0 0.0 5.50 2 2 A 8 GLN HB3 A 4 LEU HB2 1.0 0.0 5.50 3 3 A 3 GLN HA A 4 LEU HG 1.0 0.0 5.50 4 4 A 4 LEU HG A 73 ALA HA 1.0 0.0 5.50 5 5 A 4 LEU HG A 9 ILE HA 1.0 0.0 5.50 6 6 A 8 GLN HB3 A 4 LEU HG 1.0 0.0 4.95 7 7 A 4 LEU HG A 5 THR H 1.0 0.0 5.50 8 8 A 5 THR HG21 A 6 GLU H 1.0 0.0 4.05 9 9 A 5 THR H A 5 THR HG21 1.0 0.0 3.63 10 10 A 5 THR HG21 A 7 GLU H 1.0 0.0 3.93 11 11 A 5 THR HG21 A 8 GLN H 1.0 0.0 4.26 12 12 A 5 THR HG21 A 6 GLU HA 1.0 0.0 4.53 13 13 A 5 THR HG21 A 8 GLN HG2 1.0 0.0 4.64 14 14 A 5 THR HG21 A 8 GLN HG3 1.0 0.0 4.64 15 15 A 44 THR HA A 44 THR HG21 1.0 0.0 3.84 16 16 A 13 LYS HA A 16 PHE HB3 1.0 0.0 3.76 17 17 A 6 GLU HA A 6 GLU HG2 1.0 0.0 3.76 18 18 A 13 LYS HA A 16 PHE HD% 1.0 0.0 4.26 19 19 A 13 LYS HA A 12 PHE HD% 1.0 0.0 3.88 20 20 A 5 THR HA A 6 GLU HB2 1.0 0.0 5.50 21 21 A 5 THR HA A 6 GLU HB3 1.0 0.0 5.50 22 22 A 31 GLU HA A 31 GLU HG2 1.0 0.0 3.48 23 23 A 6 GLU HA A 6 GLU HG3 1.0 0.0 3.76 24 24 A 8 GLN HA A 8 GLN HG2 1.0 0.0 4.20 25 25 A 8 GLN HA A 8 GLN HG3 1.0 0.0 4.20 26 26 A 8 GLN H A 8 GLN HG2 1.0 0.0 4.53 27 27 A 5 THR H A 8 GLN HG2 1.0 0.0 4.76 28 28 A 21 LYS HA A 21 LYS HD2 1.0 0.0 3.20 29 29 A 21 LYS HA A 21 LYS HD3 1.0 0.0 3.86 30 30 A 35 VAL HA A 37 ARG H 1.0 0.0 4.72 31 31 A 35 VAL HA A 35 VAL HG21 1.0 0.0 3.07 32 32 A 35 VAL HA A 35 VAL HG11 1.0 0.0 3.46 33 33 A 9 ILE HB A 9 ILE HD11 1.0 0.0 3.73 34 34 A 9 ILE HB A 10 ALA HB1 1.0 0.0 4.90 35 35 A 9 ILE HB A 10 ALA H 1.0 0.0 4.18 36 36 A 8 GLN HB2 A 9 ILE HG12 1.0 0.0 5.09 37 37 A 9 ILE HA A 9 ILE HD11 1.0 0.0 4.19 38 38 A 9 ILE HD11 A 10 ALA HA 1.0 0.0 5.02 39 39 A 5 THR HA A 9 ILE HD11 1.0 0.0 5.50 40 40 A 9 ILE HB A 9 ILE HD11 1.0 0.0 3.07 41 41 A 10 ALA HB1 A 9 ILE HD11 1.0 0.0 4.13 42 42 A 9 ILE HG12 A 9 ILE HD11 1.0 0.0 2.50 43 43 A 8 GLN H A 9 ILE HD11 1.0 0.0 5.50 44 44 A 9 ILE HD11 A 9 ILE H 1.0 0.0 3.99 45 45 A 7 GLU H A 9 ILE HD11 1.0 0.0 5.11 46 46 A 6 GLU H A 9 ILE HD11 1.0 0.0 5.50 47 47 A 8 GLN HB3 A 9 ILE HG21 1.0 0.0 4.92 48 48 A 6 GLU HA A 9 ILE HG21 1.0 0.0 3.96 49 49 A 10 ALA H A 9 ILE HG21 1.0 0.0 4.48 50 50 A 5 THR H A 9 ILE HG21 1.0 0.0 5.50 51 51 A 7 GLU H A 9 ILE HG21 1.0 0.0 5.50 52 52 A 9 ILE HA A 9 ILE HG21 1.0 0.0 3.19 53 53 A 9 ILE HA A 8 GLN HB2 1.0 0.0 5.40 54 54 A 9 ILE HA A 10 ALA HB1 1.0 0.0 5.50 55 55 A 9 ILE HA A 9 ILE HG13 1.0 0.0 3.84 56 56 A 8 GLN HB3 A 9 ILE HA 1.0 0.0 4.58 57 57 A 9 ILE HA A 12 PHE HD% 1.0 0.0 4.05 58 58 A 9 ILE HA A 8 GLN H 1.0 0.0 5.50 59 59 A 10 ALA HB1 A 10 ALA HA 1.0 0.0 2.88 60 60 A 51 MET HE1 A 51 MET HB2 1.0 0.0 4.68 61 61 A 51 MET HE1 A 51 MET HB3 1.0 0.0 4.68 62 62 A 10 ALA HB1 A 9 ILE HG12 1.0 0.0 4.19 63 63 A 10 ALA HB1 A 9 ILE H 1.0 0.0 4.60 64 64 A 46 ALA HA A 49 GLN HB3 1.0 0.0 3.84 65 65 A 9 ILE HG12 A 10 ALA HA 1.0 0.0 4.98 66 66 A 11 GLU HA A 14 GLU HB2 1.0 0.0 3.35 67 67 A 10 ALA HB1 A 11 GLU HA 1.0 0.0 3.99 68 68 A 29 THR HA A 30 LYS HA 1.0 0.0 4.80 69 69 A 11 GLU HA A 14 GLU H 1.0 0.0 3.98 70 70 A 12 PHE H A 11 GLU HG2 1.0 0.0 5.50 71 71 A 6 GLU HA A 5 THR HA 1.0 0.0 4.44 72 72 A 6 GLU HA A 9 ILE HG12 1.0 0.0 3.17 73 73 A 6 GLU HA A 9 ILE H 1.0 0.0 3.88 74 74 A 8 GLN H A 6 GLU HA 1.0 0.0 4.48 75 75 A 6 GLU HA A 9 ILE HD11 1.0 0.0 3.12 76 76 A 13 LYS H A 13 LYS HB3 1.0 0.0 3.60 77 77 A 13 LYS H A 13 LYS HG2 1.0 0.0 4.83 78 78 A 13 LYS HA A 13 LYS HE2 1.0 0.0 5.50 79 79 A 13 LYS HA A 13 LYS HE3 1.0 0.0 5.50 80 80 A 14 GLU HA A 17 SER H 1.0 0.0 3.73 81 81 A 30 LYS HA A 33 GLY H 1.0 0.0 4.11 82 82 A 30 LYS HA A 33 GLY HA3 1.0 0.0 4.71 83 83 A 14 GLU HA A 18 LEU H 1.0 0.0 4.44 84 84 A 14 GLU H A 14 GLU HG2 1.0 0.0 3.46 85 85 A 14 GLU HA A 14 GLU HG2 1.0 0.0 3.80 86 86 A 14 GLU HA A 14 GLU HG3 1.0 0.0 3.80 87 87 A 29 THR HG21 A 52 ILE HB 1.0 0.0 4.91 88 88 A 29 THR HA A 52 ILE HB 1.0 0.0 3.98 89 89 A 15 ALA H A 15 ALA HB1 1.0 0.0 3.31 90 90 A 15 ALA HB1 A 16 PHE HB2 1.0 0.0 5.12 91 91 A 14 GLU HB2 A 15 ALA HB1 1.0 0.0 4.10 92 92 A 15 ALA HB1 A 27 ILE HD11 1.0 0.0 5.50 93 93 A 13 LYS HA A 16 PHE HB2 1.0 0.0 4.81 94 94 A 16 PHE HB3 A 17 SER H 1.0 0.0 4.60 95 95 A 72 MET HA A 72 MET HG2 1.0 0.0 3.93 96 96 A 72 MET HA A 72 MET HG3 1.0 0.0 3.93 97 97 A 72 MET HA A 71 MET HG3 1.0 0.0 3.64 98 98 A 18 LEU H A 18 LEU HD11 1.0 0.0 4.67 99 99 A 14 GLU HA A 18 LEU HD11 1.0 0.0 5.02 100 100 A 15 ALA HB1 A 18 LEU HD11 1.0 0.0 4.05 101 101 A 19 PHE HB2 A 27 ILE HG21 1.0 0.0 3.56 102 102 A 19 PHE HB2 A 20 ASP H 1.0 0.0 4.39 103 103 A 19 PHE H A 20 ASP HB3 1.0 0.0 5.26 104 104 A 17 SER HA A 20 ASP HB2 1.0 0.0 4.39 105 105 A 17 SER HA A 20 ASP HB3 1.0 0.0 4.39 106 106 A 27 ILE HG12 A 20 ASP HB3 1.0 0.0 5.50 107 107 A 27 ILE HG12 A 20 ASP HB2 1.0 0.0 5.50 108 108 A 27 ILE HG13 A 20 ASP HB2 1.0 0.0 5.50 109 109 A 27 ILE HG13 A 20 ASP HB3 1.0 0.0 5.50 110 110 A 21 LYS HA A 21 LYS HG2 1.0 0.0 3.48 111 111 A 25 GLY H A 23 GLY HA2 1.0 0.0 5.50 112 112 A 25 GLY H A 23 GLY HA3 1.0 0.0 5.50 113 113 A 22 ASP H A 24 ASP HB3 1.0 0.0 5.50 114 114 A 26 THR HB A 62 THR HB 1.0 0.0 3.12 115 115 A 26 THR HB A 62 THR HG21 1.0 0.0 3.43 116 116 A 26 THR HB A 27 ILE H 1.0 0.0 3.89 117 117 A 26 THR HA A 63 ILE HB 1.0 0.0 5.50 118 118 A 26 THR HA A 27 ILE HB 1.0 0.0 4.88 119 119 A 26 THR HA A 26 THR HG21 1.0 0.0 3.77 120 120 A 26 THR HG21 A 63 ILE H 1.0 0.0 4.66 121 121 A 26 THR HG21 A 26 THR H 1.0 0.0 3.76 122 122 A 26 THR HG21 A 62 THR H 1.0 0.0 5.50 123 123 A 26 THR HA A 26 THR HG21 1.0 0.0 3.53 124 124 A 26 THR HG21 A 64 ASP HA 1.0 0.0 4.07 125 125 A 62 THR HB A 26 THR HG21 1.0 0.0 3.89 126 126 A 27 ILE HB A 63 ILE H 1.0 0.0 5.50 127 127 A 27 ILE HB A 32 LEU HD21 1.0 0.0 5.33 128 128 A 19 PHE HB2 A 27 ILE HG12 1.0 0.0 5.50 129 129 A 27 ILE HG12 A 19 PHE HB3 1.0 0.0 5.50 130 130 A 12 PHE HD% A 69 LEU HG 1.0 0.0 5.50 131 131 A 27 ILE HG13 A 16 PHE HE% 1.0 0.0 5.50 132 132 A 27 ILE HG13 A 27 ILE H 1.0 0.0 5.04 133 133 A 19 PHE HB2 A 27 ILE HG13 1.0 0.0 5.50 134 134 A 27 ILE HD11 A 27 ILE HG21 1.0 0.0 3.04 135 135 A 27 ILE HD11 A 27 ILE HB 1.0 0.0 3.68 136 136 A 27 ILE HD11 A 63 ILE HB 1.0 0.0 3.99 137 137 A 27 ILE HD11 A 19 PHE HB2 1.0 0.0 3.71 138 138 A 16 PHE HB2 A 27 ILE HD11 1.0 0.0 3.88 139 139 A 27 ILE HD11 A 19 PHE HB3 1.0 0.0 4.16 140 140 A 27 ILE HD11 A 16 PHE HA 1.0 0.0 4.23 141 141 A 27 ILE HD11 A 17 SER HA 1.0 0.0 5.50 142 142 A 27 ILE HD11 A 68 PHE HA 1.0 0.0 5.27 143 143 A 27 ILE HD11 A 19 PHE HA 1.0 0.0 4.79 144 144 A 27 ILE HD11 A 26 THR HA 1.0 0.0 5.50 145 145 A 27 ILE HD11 A 64 ASP HA 1.0 0.0 5.50 146 146 A 27 ILE HD11 A 19 PHE HD% 1.0 0.0 3.62 147 147 A 27 ILE HD11 A 19 PHE HE% 1.0 0.0 4.31 148 148 A 27 ILE HD11 A 20 ASP H 1.0 0.0 4.07 149 149 A 17 SER H A 27 ILE HD11 1.0 0.0 5.09 150 150 A 27 ILE HD11 A 16 PHE H 1.0 0.0 4.95 151 151 A 27 ILE HD11 A 63 ILE H 1.0 0.0 4.98 152 152 A 27 ILE HD11 A 27 ILE H 1.0 0.0 4.60 153 153 A 27 ILE HG21 A 27 ILE HG12 1.0 0.0 3.90 154 154 A 27 ILE HG21 A 32 LEU HD21 1.0 0.0 3.67 155 155 A 27 ILE HG21 A 32 LEU HB2 1.0 0.0 3.34 156 156 A 27 ILE HG21 A 31 GLU HB2 1.0 0.0 3.89 157 157 A 27 ILE HG21 A 19 PHE HB3 1.0 0.0 3.67 158 158 A 29 THR HA A 27 ILE HG21 1.0 0.0 4.93 159 159 A 27 ILE HG21 A 32 LEU HA 1.0 0.0 4.23 160 160 A 27 ILE HG21 A 19 PHE HA 1.0 0.0 5.26 161 161 A 27 ILE HG21 A 26 THR HA 1.0 0.0 5.50 162 162 A 27 ILE HG21 A 27 ILE H 1.0 0.0 4.55 163 163 A 31 GLU HB2 A 28 THR HG21 1.0 0.0 4.39 164 164 A 28 THR HG21 A 30 LYS HE2 1.0 0.0 5.49 165 165 A 28 THR HG21 A 30 LYS HE3 1.0 0.0 5.49 166 166 A 35 VAL HA A 34 THR HG21 1.0 0.0 4.50 167 167 A 30 LYS HA A 28 THR HG21 1.0 0.0 4.38 168 168 A 34 THR HG21 A 34 THR HA 1.0 0.0 3.25 169 169 A 5 THR HG21 A 5 THR HA 1.0 0.0 3.34 170 170 A 28 THR HG21 A 28 THR H 1.0 0.0 3.73 171 171 A 34 THR HG21 A 35 VAL H 1.0 0.0 4.23 172 172 A 29 THR HA A 32 LEU HB3 1.0 0.0 3.53 173 173 A 29 THR HA A 52 ILE HG12 1.0 0.0 4.88 174 174 A 29 THR HA A 52 ILE HD11 1.0 0.0 3.38 175 175 A 52 ILE HD11 A 29 THR HB 1.0 0.0 3.75 176 176 A 29 THR HB A 30 LYS H 1.0 0.0 5.03 177 177 A 62 THR HG21 A 61 GLY HA2 1.0 0.0 4.88 178 178 A 62 THR HG21 A 61 GLY HA3 1.0 0.0 4.88 179 179 A 62 THR HG21 A 28 THR HA 1.0 0.0 3.20 180 180 A 62 THR HG21 A 62 THR H 1.0 0.0 3.86 181 181 A 62 THR HG21 A 63 ILE H 1.0 0.0 4.03 182 182 A 29 THR HG21 A 29 THR H 1.0 0.0 4.66 183 183 A 62 THR HG21 A 27 ILE H 1.0 0.0 5.50 184 184 A 30 LYS H A 30 LYS HG2 1.0 0.0 3.95 185 185 A 30 LYS HA A 30 LYS HD2 1.0 0.0 5.50 186 186 A 30 LYS HA A 30 LYS HD3 1.0 0.0 5.50 187 187 A 27 ILE HG21 A 31 GLU HB3 1.0 0.0 4.62 188 188 A 31 GLU HA A 31 GLU HG3 1.0 0.0 3.98 189 189 A 31 GLU HG2 A 21 LYS HD2 1.0 0.0 4.74 190 190 A 31 GLU HG3 A 21 LYS HG3 1.0 0.0 5.50 191 191 A 28 THR HG21 A 31 GLU HG3 1.0 0.0 4.84 192 192 A 31 GLU HG2 A 28 THR HG21 1.0 0.0 5.50 193 193 A 27 ILE HG21 A 31 GLU HG3 1.0 0.0 5.50 194 194 A 31 GLU HG3 A 31 GLU H 1.0 0.0 4.09 195 195 A 31 GLU HG2 A 31 GLU H 1.0 0.0 4.35 196 196 A 28 THR H A 31 GLU HG3 1.0 0.0 4.57 197 197 A 31 GLU HG3 A 32 LEU H 1.0 0.0 5.50 198 198 A 31 GLU HG2 A 32 LEU H 1.0 0.0 5.50 199 199 A 32 LEU HA A 34 THR H 1.0 0.0 4.63 200 200 A 35 VAL HG21 A 32 LEU HA 1.0 0.0 3.86 201 201 A 32 LEU HD21 A 32 LEU HB3 1.0 0.0 3.49 202 202 A 32 LEU HB2 A 52 ILE HG13 1.0 0.0 5.50 203 203 A 69 LEU HB3 A 69 LEU HD11 1.0 0.0 2.98 204 204 A 8 GLN HB3 A 69 LEU HD11 1.0 0.0 5.05 205 205 A 69 LEU HD11 A 69 LEU HA 1.0 0.0 3.80 206 206 A 9 ILE HA A 69 LEU HD11 1.0 0.0 3.75 207 207 A 69 LEU HD11 A 12 PHE HB2 1.0 0.0 4.30 208 208 A 69 LEU HD11 A 66 PRO HA 1.0 0.0 4.02 209 209 A 69 LEU HD11 A 70 THR HA 1.0 0.0 5.16 210 210 A 69 LEU HD11 A 70 THR H 1.0 0.0 4.76 211 211 A 9 ILE H A 69 LEU HD11 1.0 0.0 5.21 212 212 A 12 PHE H A 69 LEU HD11 1.0 0.0 5.09 213 213 A 69 LEU HD11 A 69 LEU H 1.0 0.0 4.53 214 214 A 70 THR HG21 A 71 MET HA 1.0 0.0 3.91 215 215 A 70 THR HG21 A 69 LEU HD21 1.0 0.0 4.42 216 216 A 36 MET H A 36 MET HB3 1.0 0.0 4.09 217 217 A 36 MET HA A 39 LEU HD11 1.0 0.0 3.55 218 218 A 55 VAL HA A 55 VAL HG11 1.0 0.0 4.08 219 219 A 39 LEU HD11 A 36 MET HG2 1.0 0.0 5.50 220 220 A 39 LEU HD11 A 35 VAL HB 1.0 0.0 4.32 221 221 A 39 LEU HD11 A 39 LEU HB2 1.0 0.0 3.17 222 222 A 39 LEU HB3 A 39 LEU HD21 1.0 0.0 3.34 223 223 A 39 LEU HD11 A 36 MET HG3 1.0 0.0 5.50 224 224 A 39 LEU HD21 A 39 LEU H 1.0 0.0 4.75 225 225 A 54 GLU H A 55 VAL HG11 1.0 0.0 5.50 226 226 A 39 LEU HD11 A 38 SER H 1.0 0.0 5.18 227 227 A 56 ASP H A 55 VAL HG11 1.0 0.0 4.72 228 228 A 36 MET H A 39 LEU HD11 1.0 0.0 4.26 229 229 A 32 LEU HB2 A 36 MET HG2 1.0 0.0 5.50 230 230 A 32 LEU HB2 A 36 MET HG3 1.0 0.0 5.50 231 231 A 37 ARG HA A 37 ARG HD2 1.0 0.0 3.88 232 232 A 37 ARG HA A 37 ARG HD3 1.0 0.0 3.88 233 233 A 38 SER H A 37 ARG HD2 1.0 0.0 5.50 234 234 A 38 SER H A 37 ARG HD3 1.0 0.0 5.50 235 235 A 37 ARG H A 37 ARG HD2 1.0 0.0 5.44 236 236 A 52 ILE HG21 A 61 GLY H 1.0 0.0 5.33 237 237 A 63 ILE H A 52 ILE HG21 1.0 0.0 4.31 238 238 A 52 ILE HG21 A 52 ILE H 1.0 0.0 3.94 239 239 A 62 THR H A 52 ILE HG21 1.0 0.0 4.13 240 240 A 28 THR H A 52 ILE HG21 1.0 0.0 5.50 241 241 A 52 ILE HG21 A 60 ASN H 1.0 0.0 5.50 242 242 A 52 ILE HG21 A 63 ILE HA 1.0 0.0 5.50 243 243 A 52 ILE HG21 A 62 THR HA 1.0 0.0 4.50 244 244 A 52 ILE HG21 A 61 GLY HA3 1.0 0.0 4.18 245 245 A 52 ILE HG12 A 52 ILE HG21 1.0 0.0 3.33 246 246 A 52 ILE HG21 A 63 ILE HG13 1.0 0.0 3.73 247 247 A 52 ILE HG21 A 63 ILE HG12 1.0 0.0 3.73 248 248 A 52 ILE HG21 A 61 GLY HA2 1.0 0.0 4.18 249 249 A 60 ASN H A 61 GLY HA3 1.0 0.0 5.03 250 250 A 60 ASN H A 61 GLY HA2 1.0 0.0 5.03 251 251 A 32 LEU HB2 A 35 VAL HB 1.0 0.0 5.22 252 252 A 35 VAL HB A 33 GLY HA2 1.0 0.0 5.50 253 253 A 32 LEU HA A 35 VAL HB 1.0 0.0 4.20 254 254 A 19 PHE HA A 35 VAL HB 1.0 0.0 5.50 255 255 A 19 PHE HE% A 35 VAL HB 1.0 0.0 4.05 256 256 A 37 ARG H A 35 VAL HB 1.0 0.0 5.50 257 257 A 42 ASN HB2 A 43 PRO HD2 1.0 0.0 4.70 258 258 A 42 ASN HB2 A 43 PRO HD3 1.0 0.0 4.70 259 259 A 42 ASN HB3 A 43 PRO HD2 1.0 0.0 4.70 260 260 A 43 PRO HD3 A 42 ASN HB3 1.0 0.0 4.70 261 261 A 73 ALA HB1 A 74 ARG H 1.0 0.0 3.52 262 262 A 46 ALA HB1 A 47 GLU HA 1.0 0.0 4.02 263 263 A 73 ALA HB1 A 70 THR HB 1.0 0.0 5.05 264 264 A 69 LEU HA A 73 ALA HB1 1.0 0.0 5.50 265 265 A 49 GLN HB3 A 46 ALA HB1 1.0 0.0 5.30 266 266 A 73 ALA HB1 A 4 LEU HD11 1.0 0.0 4.08 267 267 A 49 GLN H A 49 GLN HB2 1.0 0.0 4.10 268 268 A 52 ILE HD11 A 49 GLN HB2 1.0 0.0 5.50 269 269 A 49 GLN HB3 A 49 GLN H 1.0 0.0 3.71 270 270 A 7 GLU H A 7 GLU HG2 1.0 0.0 4.78 271 271 A 7 GLU H A 7 GLU HG3 1.0 0.0 4.78 272 272 A 8 GLN H A 7 GLU HG2 1.0 0.0 4.80 273 273 A 8 GLN H A 7 GLU HG3 1.0 0.0 4.80 274 274 A 7 GLU HA A 7 GLU HG2 1.0 0.0 3.59 275 275 A 52 ILE HG21 A 49 GLN HA 1.0 0.0 5.32 276 276 A 47 GLU HA A 50 ASP HB2 1.0 0.0 4.19 277 277 A 71 MET HE1 A 72 MET HB3 1.0 0.0 4.07 278 278 A 72 MET HB3 A 72 MET HE1 1.0 0.0 4.32 279 279 A 71 MET HE1 A 71 MET HG2 1.0 0.0 3.71 280 280 A 71 MET HG3 A 71 MET HE1 1.0 0.0 3.87 281 281 A 71 MET HE1 A 68 PHE HB3 1.0 0.0 4.76 282 282 A 69 LEU HA A 72 MET HE1 1.0 0.0 4.93 283 283 A 12 PHE HB2 A 72 MET HE1 1.0 0.0 3.98 284 284 A 72 MET HA A 71 MET HE1 1.0 0.0 5.17 285 285 A 72 MET HA A 72 MET HE1 1.0 0.0 5.50 286 286 A 71 MET HE1 A 68 PHE HD% 1.0 0.0 4.05 287 287 A 71 MET HE1 A 72 MET H 1.0 0.0 4.59 288 288 A 15 ALA HA A 18 LEU HG 1.0 0.0 3.94 289 289 A 51 MET HE1 A 50 ASP HB3 1.0 0.0 4.56 290 290 A 47 GLU HA A 50 ASP HB3 1.0 0.0 4.19 291 291 A 50 ASP H A 50 ASP HB3 1.0 0.0 3.97 292 292 A 50 ASP H A 50 ASP HB2 1.0 0.0 3.97 293 293 A 63 ILE HA A 63 ILE HG21 1.0 0.0 3.61 294 294 A 68 PHE HD% A 63 ILE HG21 1.0 0.0 3.63 295 295 A 64 ASP HA A 63 ILE HG21 1.0 0.0 4.63 296 296 A 68 PHE HA A 63 ILE HG21 1.0 0.0 4.10 297 297 A 63 ILE HG21 A 68 PHE HB3 1.0 0.0 4.04 298 298 A 63 ILE HG21 A 68 PHE HB2 1.0 0.0 4.04 299 299 A 27 ILE HB A 63 ILE HG21 1.0 0.0 4.03 300 300 A 71 MET HG2 A 63 ILE HG21 1.0 0.0 4.29 301 301 A 63 ILE HG21 A 63 ILE HD11 1.0 0.0 2.89 302 302 A 63 ILE HG21 A 55 VAL HG11 1.0 0.0 4.75 303 303 A 27 ILE HD11 A 63 ILE HG21 1.0 0.0 3.81 304 304 A 63 ILE HG21 A 68 PHE H 1.0 0.0 3.74 305 305 A 69 LEU H A 63 ILE HG21 1.0 0.0 4.87 306 306 A 27 ILE H A 63 ILE HG21 1.0 0.0 5.05 307 307 A 73 ALA HA A 75 LYS H 1.0 0.0 5.36 308 308 A 57 ALA H A 57 ALA HB1 1.0 0.0 3.24 309 309 A 57 ALA HB1 A 59 GLY H 1.0 0.0 4.97 310 310 A 65 PHE HD% A 66 PRO HD2 1.0 0.0 5.11 311 311 A 65 PHE HD% A 66 PRO HD3 1.0 0.0 5.11 312 312 A 62 THR HB A 63 ILE H 1.0 0.0 3.80 313 313 A 63 ILE HB A 52 ILE HD11 1.0 0.0 5.50 314 314 A 63 ILE HB A 71 MET HE1 1.0 0.0 5.50 315 315 A 27 ILE HG21 A 63 ILE HB 1.0 0.0 4.01 316 316 A 63 ILE HB A 27 ILE HB 1.0 0.0 3.72 317 317 A 29 THR HG21 A 52 ILE HG21 1.0 0.0 3.27 318 318 A 63 ILE HA A 63 ILE HD11 1.0 0.0 3.93 319 319 A 28 THR HA A 63 ILE HD11 1.0 0.0 5.50 320 320 A 62 THR HA A 63 ILE HD11 1.0 0.0 4.48 321 321 A 63 ILE HB A 63 ILE HD11 1.0 0.0 3.77 322 322 A 52 ILE HG21 A 63 ILE HD11 1.0 0.0 3.09 323 323 A 63 ILE HD11 A 55 VAL H 1.0 0.0 4.55 324 324 A 63 ILE HD11 A 64 ASP H 1.0 0.0 4.08 325 325 A 27 ILE H A 63 ILE HD11 1.0 0.0 5.08 326 326 A 26 THR HB A 64 ASP HA 1.0 0.0 4.84 327 327 A 52 ILE HG21 A 52 ILE HA 1.0 0.0 3.53 328 328 A 63 ILE HD11 A 52 ILE HA 1.0 0.0 3.43 329 329 A 69 LEU HA A 72 MET HG2 1.0 0.0 3.88 330 330 A 69 LEU HA A 72 MET HG3 1.0 0.0 3.88 331 331 A 69 LEU HA A 72 MET HB3 1.0 0.0 4.10 332 332 A 69 LEU HA A 68 PHE HD% 1.0 0.0 4.86 333 333 A 12 PHE HD% A 69 LEU HA 1.0 0.0 4.66 334 334 A 69 LEU HA A 72 MET H 1.0 0.0 4.28 335 335 A 68 PHE HA A 68 PHE HD% 1.0 0.0 3.45 336 336 A 68 PHE HA A 68 PHE HE% 1.0 0.0 4.81 337 337 A 69 LEU HD21 A 70 THR HB 1.0 0.0 4.01 338 338 A 70 THR HB A 71 MET HG2 1.0 0.0 4.80 339 339 A 69 LEU H A 70 THR HB 1.0 0.0 4.99 340 340 A 16 PHE HD% A 16 PHE HA 1.0 0.0 3.89 341 341 A 16 PHE HA A 19 PHE HE% 1.0 0.0 4.25 342 342 A 15 ALA H A 16 PHE HA 1.0 0.0 5.50 343 343 A 12 PHE HB2 A 69 LEU HB2 1.0 0.0 5.50 344 344 A 69 LEU HB3 A 12 PHE HB2 1.0 0.0 5.50 345 345 A 69 LEU HB3 A 70 THR HB 1.0 0.0 5.50 346 346 A 66 PRO HA A 69 LEU HB2 1.0 0.0 4.68 347 347 A 69 LEU HD11 A 69 LEU HB2 1.0 0.0 3.61 348 348 A 69 LEU HB3 A 69 LEU HD21 1.0 0.0 3.57 349 349 A 69 LEU HB3 A 12 PHE HZ 1.0 0.0 5.50 350 350 A 69 LEU HB2 A 12 PHE HZ 1.0 0.0 5.50 351 351 A 68 PHE HD% A 69 LEU HB2 1.0 0.0 5.50 352 352 A 12 PHE HD% A 69 LEU HB2 1.0 0.0 5.50 353 353 A 69 LEU HB3 A 12 PHE HE% 1.0 0.0 4.30 354 354 A 70 THR H A 69 LEU HB2 1.0 0.0 4.31 355 355 A 69 LEU HG A 69 LEU H 1.0 0.0 4.92 356 356 A 70 THR HA A 70 THR HG21 1.0 0.0 3.34 357 357 A 18 LEU HD11 A 18 LEU HA 1.0 0.0 3.97 358 358 A 18 LEU HG A 18 LEU HA 1.0 0.0 4.04 359 359 A 76 MET H A 76 MET HB3 1.0 0.0 4.11 360 360 A 76 MET H A 76 MET HB2 1.0 0.0 4.11 361 361 A 14 GLU HB2 A 15 ALA H 1.0 0.0 4.04 362 362 A 72 MET HE1 A 72 MET HB2 1.0 0.0 4.38 363 363 A 71 MET HG3 A 72 MET HB2 1.0 0.0 4.54 364 364 A 72 MET HB3 A 71 MET HG2 1.0 0.0 4.60 365 365 A 71 MET HG3 A 72 MET HB3 1.0 0.0 4.75 366 366 A 69 LEU HA A 72 MET HB2 1.0 0.0 5.50 367 367 A 72 MET HB3 A 68 PHE HE% 1.0 0.0 4.19 368 368 A 68 PHE HE% A 72 MET HB2 1.0 0.0 4.91 369 369 A 72 MET HB3 A 68 PHE HD% 1.0 0.0 5.50 370 370 A 68 PHE HD% A 72 MET HB2 1.0 0.0 5.50 371 371 A 72 MET HB3 A 73 ALA H 1.0 0.0 5.50 372 372 A 72 MET HB2 A 73 ALA H 1.0 0.0 5.50 373 373 A 71 MET HG2 A 72 MET HG2 1.0 0.0 5.50 374 374 A 71 MET HG3 A 72 MET HG2 1.0 0.0 5.50 375 375 A 71 MET HG2 A 72 MET HG3 1.0 0.0 5.50 376 376 A 71 MET HG3 A 72 MET HG3 1.0 0.0 5.50 377 377 A 12 PHE HD% A 72 MET HG2 1.0 0.0 5.50 378 378 A 68 PHE HE% A 72 MET HG2 1.0 0.0 5.50 379 379 A 12 PHE HD% A 72 MET HG3 1.0 0.0 5.50 380 380 A 68 PHE HE% A 72 MET HG3 1.0 0.0 5.50 381 381 A 13 LYS H A 13 LYS HD3 1.0 0.0 5.50 382 382 A 32 LEU HD21 A 32 LEU HB2 1.0 0.0 3.41 383 383 A 32 LEU HD21 A 48 LEU HG 1.0 0.0 4.34 384 384 A 32 LEU HD21 A 52 ILE HG13 1.0 0.0 4.54 385 385 A 48 LEU HG A 32 LEU HG 1.0 0.0 3.34 386 386 A 32 LEU HD21 A 36 MET HG2 1.0 0.0 5.50 387 387 A 32 LEU HD21 A 36 MET HG3 1.0 0.0 5.50 388 388 A 33 GLY HA3 A 32 LEU HG 1.0 0.0 4.56 389 389 A 33 GLY HA2 A 32 LEU HG 1.0 0.0 3.66 390 390 A 32 LEU HD21 A 48 LEU HA 1.0 0.0 4.70 391 391 A 32 LEU HD21 A 32 LEU HA 1.0 0.0 4.68 392 392 A 38 SER H A 39 LEU HG 1.0 0.0 4.57 393 393 A 27 ILE HG21 A 32 LEU HD11 1.0 0.0 4.08 394 394 A 32 LEU HB2 A 32 LEU HD11 1.0 0.0 3.32 395 395 A 32 LEU HB3 A 32 LEU HD11 1.0 0.0 3.61 396 396 A 32 LEU HD11 A 36 MET HG2 1.0 0.0 4.11 397 397 A 32 LEU HD11 A 36 MET HG3 1.0 0.0 4.11 398 398 A 32 LEU HA A 32 LEU HD11 1.0 0.0 3.48 399 399 A 19 PHE HA A 32 LEU HD11 1.0 0.0 5.50 400 400 A 36 MET H A 32 LEU HD11 1.0 0.0 4.03 401 401 A 29 THR HG21 A 29 THR H 1.0 0.0 3.89 402 402 A 33 GLY H A 29 THR HG21 1.0 0.0 5.50 403 403 A 29 THR HG21 A 49 GLN H 1.0 0.0 4.61 404 404 A 35 VAL HG21 A 35 VAL H 1.0 0.0 3.30 405 405 A 35 VAL HG21 A 36 MET H 1.0 0.0 3.80 406 406 A 29 THR HG21 A 30 LYS H 1.0 0.0 4.23 407 407 A 69 LEU HD21 A 71 MET H 1.0 0.0 4.80 408 408 A 12 PHE HD% A 69 LEU HD21 1.0 0.0 5.04 409 409 A 69 LEU HD21 A 72 MET H 1.0 0.0 5.50 410 410 A 35 VAL HG21 A 19 PHE HA 1.0 0.0 3.40 411 411 A 29 THR HA A 29 THR HG21 1.0 0.0 3.21 412 412 A 35 VAL HG21 A 34 THR HA 1.0 0.0 5.05 413 413 A 66 PRO HA A 69 LEU HD21 1.0 0.0 3.93 414 414 A 70 THR HA A 69 LEU HD21 1.0 0.0 3.48 415 415 A 69 LEU HA A 69 LEU HD21 1.0 0.0 5.09 416 416 A 35 VAL HG21 A 21 LYS HB2 1.0 0.0 5.50 417 417 A 35 VAL HG21 A 21 LYS HB3 1.0 0.0 5.50 418 418 A 49 GLN HB3 A 29 THR HG21 1.0 0.0 4.47 419 419 A 29 THR HG21 A 52 ILE HG13 1.0 0.0 3.85 420 420 A 73 ALA HB1 A 4 LEU HD21 1.0 0.0 4.08 421 421 A 21 LYS HD3 A 35 VAL HG21 1.0 0.0 3.52 422 422 A 21 LYS HD2 A 35 VAL HG21 1.0 0.0 3.79 423 423 A 54 GLU H A 55 VAL HG21 1.0 0.0 5.50 424 424 A 56 ASP H A 55 VAL HG21 1.0 0.0 4.72 425 425 A 55 VAL H A 55 VAL HG21 1.0 0.0 4.56 426 426 A 55 VAL HA A 55 VAL HG21 1.0 0.0 4.08 427 427 A 63 ILE HG21 A 55 VAL HG21 1.0 0.0 4.75 428 428 A 35 VAL HG11 A 19 PHE HB2 1.0 0.0 5.34 429 429 A 35 VAL HG11 A 19 PHE HB3 1.0 0.0 5.18 430 430 A 35 VAL HG11 A 18 LEU HA 1.0 0.0 5.50 431 431 A 35 VAL HG11 A 36 MET HA 1.0 0.0 3.94 432 432 A 35 VAL HG11 A 19 PHE HA 1.0 0.0 4.31 433 433 A 35 VAL HG11 A 19 PHE HE% 1.0 0.0 3.60 434 434 A 35 VAL HG11 A 35 VAL H 1.0 0.0 3.93 435 435 A 37 ARG H A 35 VAL HG11 1.0 0.0 5.44 436 436 A 35 VAL HG11 A 36 MET H 1.0 0.0 3.93 437 437 A 36 MET HE1 A 36 MET HB2 1.0 0.0 3.74 438 438 A 36 MET HE1 A 36 MET HB3 1.0 0.0 3.74 439 439 A 36 MET HA A 36 MET HE1 1.0 0.0 4.45 440 440 A 52 ILE HD11 A 32 LEU HD11 1.0 0.0 4.01 441 441 A 29 THR HG21 A 52 ILE HD11 1.0 0.0 3.26 442 442 A 32 LEU HB3 A 52 ILE HD11 1.0 0.0 3.87 443 443 A 52 ILE HB A 52 ILE HD11 1.0 0.0 3.86 444 444 A 52 ILE HD11 A 49 GLN HA 1.0 0.0 4.25 445 445 A 52 ILE HD11 A 52 ILE HA 1.0 0.0 4.64 446 446 A 52 ILE HD11 A 28 THR HA 1.0 0.0 3.90 447 447 A 52 ILE HD11 A 63 ILE HA 1.0 0.0 5.50 448 448 A 52 ILE HD11 A 52 ILE H 1.0 0.0 4.40 449 449 A 52 ILE HD11 A 49 GLN H 1.0 0.0 5.42 450 450 A 33 GLY H A 52 ILE HD11 1.0 0.0 4.44 451 451 A 63 ILE H A 52 ILE HD11 1.0 0.0 4.76 452 452 A 27 ILE H A 52 ILE HD11 1.0 0.0 5.50 453 453 A 35 VAL HB A 32 LEU HG 1.0 0.0 5.50 454 454 A 35 VAL HB A 39 LEU HG 1.0 0.0 5.50 455 455 A 7 GLU HA A 7 GLU HG3 1.0 0.0 3.59 456 456 A 69 LEU HD21 A 12 PHE HZ 1.0 0.0 5.50 457 457 A 8 GLN HB3 A 5 THR H 1.0 0.0 4.49 458 458 A 21 LYS HG3 A 21 LYS H 1.0 0.0 3.99 459 459 A 21 LYS HG2 A 22 ASP H 1.0 0.0 5.50 460 460 A 31 GLU HA A 21 LYS HG3 1.0 0.0 4.65 461 461 A 31 GLU HA A 21 LYS HG2 1.0 0.0 4.56 462 462 A 21 LYS HG2 A 31 GLU HB3 1.0 0.0 4.80 463 463 A 31 GLU HG2 A 21 LYS HG2 1.0 0.0 4.51 464 464 A 31 GLU HG2 A 21 LYS HG3 1.0 0.0 4.44 465 465 A 35 VAL HA A 39 LEU HG 1.0 0.0 4.75 466 466 A 69 LEU HB3 A 66 PRO HA 1.0 0.0 4.22 467 467 A 66 PRO HA A 69 LEU H 1.0 0.0 5.50 468 468 A 29 THR HA A 28 THR HA 1.0 0.0 4.36 469 469 A 19 PHE H A 18 LEU HD21 1.0 0.0 4.83 470 470 A 18 LEU H A 18 LEU HD21 1.0 0.0 3.87 471 471 A 18 LEU HA A 18 LEU HD21 1.0 0.0 3.22 472 472 A 63 ILE HD11 A 55 VAL HB 1.0 0.0 3.99 473 473 A 56 ASP H A 55 VAL HB 1.0 0.0 4.00 474 474 A 27 ILE HG21 A 27 ILE HA 1.0 0.0 3.54 475 475 A 52 ILE HG13 A 52 ILE H 1.0 0.0 3.89 476 476 A 52 ILE HG12 A 52 ILE H 1.0 0.0 4.00 477 477 A 21 LYS HD3 A 21 LYS H 1.0 0.0 4.37 478 478 A 52 ILE HG13 A 52 ILE HA 1.0 0.0 3.62 479 479 A 52 ILE HG12 A 52 ILE HA 1.0 0.0 3.67 480 480 A 14 GLU HA A 18 LEU HG 1.0 0.0 5.22 481 481 A 74 ARG H A 74 ARG HG3 1.0 0.0 4.33 482 482 A 33 GLY HA3 A 52 ILE HD11 1.0 0.0 5.50 483 483 A 36 MET HA A 39 LEU HB3 1.0 0.0 5.50 484 484 A 36 MET HA A 39 LEU HB2 1.0 0.0 5.30 485 485 A 32 LEU H A 32 LEU HD11 1.0 0.0 4.36 486 486 A 39 LEU HG A 38 SER HA 1.0 0.0 5.50 487 487 A 12 PHE H A 69 LEU HB2 1.0 0.0 5.50 488 488 A 68 PHE H A 69 LEU HB2 1.0 0.0 5.50 489 489 A 27 ILE HG21 A 27 ILE HG13 1.0 0.0 3.53 490 490 A 51 MET HE1 A 50 ASP HB2 1.0 0.0 4.56 491 491 A 65 PHE HD% A 65 PHE HA 1.0 0.0 3.86 492 492 A 68 PHE H A 65 PHE HA 1.0 0.0 4.25 493 493 A 69 LEU HD21 A 73 ALA HB1 1.0 0.0 3.57 494 494 A 21 LYS HG2 A 31 GLU HB2 1.0 0.0 4.43 495 495 A 27 ILE HG21 A 31 GLU H 1.0 0.0 4.97 496 496 A 16 PHE HD% A 27 ILE HD11 1.0 0.0 3.64 497 497 A 9 ILE HD11 A 9 ILE HG21 1.0 0.0 3.06 498 498 A 69 LEU HD11 A 12 PHE HB3 1.0 0.0 4.24 499 499 A 71 MET HE1 A 68 PHE HB2 1.0 0.0 4.76 500 500 A 3 GLN HA A 4 LEU H 1.0 0.0 3.24 501 501 A 4 LEU H A 3 GLN HG2 1.0 0.0 5.50 502 502 A 4 LEU H A 3 GLN HG3 1.0 0.0 5.50 503 503 A 4 LEU H A 3 GLN HB2 1.0 0.0 4.98 504 504 A 4 LEU H A 3 GLN HB3 1.0 0.0 4.98 505 505 A 4 LEU H A 4 LEU HB3 1.0 0.0 4.11 506 506 A 4 LEU H A 4 LEU HB2 1.0 0.0 4.11 507 507 A 4 LEU HG A 4 LEU H 1.0 0.0 4.79 508 508 A 5 THR H A 6 GLU H 1.0 0.0 5.50 509 509 A 5 THR H A 4 LEU H 1.0 0.0 5.30 510 510 A 5 THR H A 8 GLN H 1.0 0.0 5.14 511 511 A 5 THR H A 8 GLN HA 1.0 0.0 5.50 512 512 A 5 THR H A 8 GLN HG3 1.0 0.0 4.76 513 513 A 5 THR H A 5 THR HG21 1.0 0.0 3.38 514 514 A 5 THR H A 8 GLN HB2 1.0 0.0 3.42 515 515 A 6 GLU H A 7 GLU H 1.0 0.0 4.22 516 516 A 69 LEU H A 68 PHE H 1.0 0.0 3.88 517 517 A 6 GLU H A 9 ILE H 1.0 0.0 5.50 518 518 A 70 THR H A 69 LEU H 1.0 0.0 3.90 519 519 A 12 PHE HD% A 69 LEU H 1.0 0.0 5.12 520 520 A 69 LEU H A 71 MET H 1.0 0.0 5.30 521 521 A 69 LEU H A 12 PHE HZ 1.0 0.0 4.76 522 522 A 69 LEU H A 68 PHE HD% 1.0 0.0 4.95 523 523 A 6 GLU H A 5 THR HA 1.0 0.0 3.43 524 524 A 12 PHE HB2 A 69 LEU H 1.0 0.0 5.45 525 525 A 69 LEU H A 71 MET HG2 1.0 0.0 5.02 526 526 A 6 GLU H A 8 GLN HB2 1.0 0.0 5.50 527 527 A 69 LEU H A 69 LEU HB2 1.0 0.0 3.28 528 528 A 69 LEU HB3 A 69 LEU H 1.0 0.0 3.27 529 529 A 69 LEU H A 69 LEU HD21 1.0 0.0 4.23 530 530 A 6 GLU H A 5 THR HB 1.0 0.0 3.77 531 531 A 7 GLU H A 5 THR HA 1.0 0.0 4.78 532 532 A 7 GLU H A 8 GLN HB2 1.0 0.0 5.50 533 533 A 7 GLU H A 10 ALA HB1 1.0 0.0 5.50 534 534 A 5 THR HG21 A 7 GLU H 1.0 0.0 4.57 535 535 A 8 GLN H A 9 ILE H 1.0 0.0 3.97 536 536 A 7 GLU H A 8 GLN H 1.0 0.0 3.70 537 537 A 8 GLN H A 5 THR HA 1.0 0.0 5.50 538 538 A 8 GLN HB3 A 8 GLN H 1.0 0.0 4.00 539 539 A 8 GLN H A 8 GLN HG3 1.0 0.0 4.53 540 540 A 8 GLN H A 7 GLU HB2 1.0 0.0 4.81 541 541 A 8 GLN H A 7 GLU HB3 1.0 0.0 4.81 542 542 A 8 GLN H A 8 GLN HB2 1.0 0.0 3.66 543 543 A 6 GLU H A 8 GLN H 1.0 0.0 5.50 544 544 A 61 GLY H A 60 ASN H 1.0 0.0 3.42 545 545 A 60 ASN H A 59 GLY H 1.0 0.0 3.13 546 546 A 60 ASN H A 60 ASN HB3 1.0 0.0 3.95 547 547 A 60 ASN H A 60 ASN HB2 1.0 0.0 3.95 548 548 A 8 GLN HB3 A 9 ILE H 1.0 0.0 3.47 549 549 A 9 ILE H A 9 ILE HG13 1.0 0.0 3.37 550 550 A 9 ILE HB A 9 ILE H 1.0 0.0 3.80 551 551 A 8 GLN HB2 A 9 ILE H 1.0 0.0 3.41 552 552 A 9 ILE H A 9 ILE HG21 1.0 0.0 4.01 553 553 A 9 ILE HG12 A 9 ILE H 1.0 0.0 4.16 554 554 A 9 ILE HD11 A 9 ILE H 1.0 0.0 3.61 555 555 A 10 ALA H A 13 LYS H 1.0 0.0 4.87 556 556 A 10 ALA H A 11 GLU H 1.0 0.0 3.35 557 557 A 10 ALA H A 9 ILE HG13 1.0 0.0 3.40 558 558 A 10 ALA HB1 A 10 ALA H 1.0 0.0 2.96 559 559 A 10 ALA H A 9 ILE HD11 1.0 0.0 3.98 560 560 A 10 ALA H A 9 ILE H 1.0 0.0 2.93 561 561 A 13 LYS H A 11 GLU H 1.0 0.0 5.29 562 562 A 8 GLN HA A 11 GLU H 1.0 0.0 3.82 563 563 A 9 ILE HA A 11 GLU H 1.0 0.0 4.91 564 564 A 10 ALA HB1 A 11 GLU H 1.0 0.0 3.19 565 565 A 9 ILE HG12 A 11 GLU H 1.0 0.0 5.25 566 566 A 12 PHE H A 13 LYS H 1.0 0.0 3.80 567 567 A 12 PHE H A 11 GLU H 1.0 0.0 3.30 568 568 A 12 PHE HD% A 12 PHE H 1.0 0.0 4.12 569 569 A 12 PHE H A 12 PHE HB2 1.0 0.0 3.40 570 570 A 12 PHE H A 12 PHE HB3 1.0 0.0 4.08 571 571 A 12 PHE H A 11 GLU HB2 1.0 0.0 4.17 572 572 A 12 PHE H A 11 GLU HB3 1.0 0.0 4.17 573 573 A 10 ALA HB1 A 12 PHE H 1.0 0.0 4.82 574 574 A 9 ILE HG21 A 12 PHE H 1.0 0.0 5.50 575 575 A 12 PHE H A 72 MET HE1 1.0 0.0 5.50 576 576 A 12 PHE H A 11 GLU HG3 1.0 0.0 5.50 577 577 A 14 GLU H A 13 LYS H 1.0 0.0 3.72 578 578 A 12 PHE HD% A 13 LYS H 1.0 0.0 3.90 579 579 A 16 PHE HD% A 13 LYS H 1.0 0.0 5.50 580 580 A 10 ALA HA A 13 LYS H 1.0 0.0 3.58 581 581 A 13 LYS H A 12 PHE HB3 1.0 0.0 4.19 582 582 A 9 ILE HA A 13 LYS H 1.0 0.0 4.61 583 583 A 13 LYS H A 12 PHE HB2 1.0 0.0 4.92 584 584 A 14 GLU HB2 A 13 LYS H 1.0 0.0 5.02 585 585 A 13 LYS H A 13 LYS HB2 1.0 0.0 3.60 586 586 A 10 ALA HB1 A 13 LYS H 1.0 0.0 5.50 587 587 A 13 LYS H A 13 LYS HD2 1.0 0.0 5.50 588 588 A 13 LYS H A 13 LYS HG3 1.0 0.0 4.83 589 589 A 13 LYS H A 69 LEU HD11 1.0 0.0 5.50 590 590 A 14 GLU H A 12 PHE HA 1.0 0.0 4.66 591 591 A 16 PHE HB3 A 14 GLU H 1.0 0.0 5.39 592 592 A 14 GLU H A 14 GLU HG3 1.0 0.0 3.46 593 593 A 14 GLU HB2 A 14 GLU H 1.0 0.0 2.84 594 594 A 52 ILE HB A 52 ILE H 1.0 0.0 3.17 595 595 A 13 LYS H A 15 ALA H 1.0 0.0 4.39 596 596 A 15 ALA H A 18 LEU HD11 1.0 0.0 4.64 597 597 A 17 SER H A 16 PHE H 1.0 0.0 3.38 598 598 A 15 ALA H A 16 PHE H 1.0 0.0 3.52 599 599 A 19 PHE HE% A 16 PHE H 1.0 0.0 4.65 600 600 A 16 PHE HD% A 16 PHE H 1.0 0.0 4.26 601 601 A 13 LYS HA A 16 PHE H 1.0 0.0 4.00 602 602 A 16 PHE HB3 A 16 PHE H 1.0 0.0 3.43 603 603 A 16 PHE HB2 A 16 PHE H 1.0 0.0 3.57 604 604 A 14 GLU HB2 A 16 PHE H 1.0 0.0 5.50 605 605 A 16 PHE H A 14 GLU HB3 1.0 0.0 5.50 606 606 A 15 ALA HB1 A 16 PHE H 1.0 0.0 3.36 607 607 A 17 SER H A 16 PHE HZ 1.0 0.0 5.50 608 608 A 16 PHE HD% A 17 SER H 1.0 0.0 4.41 609 609 A 17 SER H A 15 ALA HA 1.0 0.0 5.50 610 610 A 17 SER H A 16 PHE HB2 1.0 0.0 4.18 611 611 A 17 SER H A 14 GLU HB3 1.0 0.0 5.50 612 612 A 17 SER H A 18 LEU HG 1.0 0.0 4.81 613 613 A 17 SER H A 15 ALA HB1 1.0 0.0 4.78 614 614 A 17 SER H A 18 LEU HD11 1.0 0.0 5.50 615 615 A 39 LEU H A 40 GLY H 1.0 0.0 3.77 616 616 A 18 LEU H A 16 PHE H 1.0 0.0 5.33 617 617 A 17 SER H A 18 LEU H 1.0 0.0 3.61 618 618 A 18 LEU H A 15 ALA HA 1.0 0.0 3.68 619 619 A 16 PHE HB3 A 18 LEU H 1.0 0.0 4.99 620 620 A 18 LEU H A 16 PHE HB2 1.0 0.0 5.50 621 621 A 18 LEU H A 19 PHE HB2 1.0 0.0 5.19 622 622 A 18 LEU H A 14 GLU HB3 1.0 0.0 5.44 623 623 A 18 LEU H A 18 LEU HG 1.0 0.0 2.89 624 624 A 39 LEU HB2 A 39 LEU H 1.0 0.0 2.87 625 625 A 39 LEU H A 39 LEU HG 1.0 0.0 3.32 626 626 A 39 LEU HD11 A 39 LEU H 1.0 0.0 4.24 627 627 A 17 SER H A 19 PHE H 1.0 0.0 5.50 628 628 A 18 LEU H A 19 PHE H 1.0 0.0 3.12 629 629 A 20 ASP H A 19 PHE H 1.0 0.0 3.50 630 630 A 19 PHE H A 20 ASP HA 1.0 0.0 5.49 631 631 A 19 PHE H A 17 SER HA 1.0 0.0 4.41 632 632 A 19 PHE H A 16 PHE HA 1.0 0.0 4.92 633 633 A 19 PHE H A 19 PHE HB3 1.0 0.0 3.96 634 634 A 19 PHE HB2 A 19 PHE H 1.0 0.0 3.71 635 635 A 19 PHE H A 18 LEU HB2 1.0 0.0 3.85 636 636 A 19 PHE H A 20 ASP HB2 1.0 0.0 5.26 637 637 A 18 LEU HD11 A 19 PHE H 1.0 0.0 5.27 638 638 A 27 ILE HG21 A 19 PHE H 1.0 0.0 5.50 639 639 A 35 VAL HG11 A 19 PHE H 1.0 0.0 5.50 640 640 A 27 ILE HD11 A 19 PHE H 1.0 0.0 4.65 641 641 A 19 PHE H A 27 ILE HG12 1.0 0.0 5.46 642 642 A 19 PHE H A 18 LEU HB3 1.0 0.0 3.85 643 643 A 20 ASP H A 17 SER HA 1.0 0.0 4.19 644 644 A 20 ASP H A 18 LEU HA 1.0 0.0 5.50 645 645 A 20 ASP H A 16 PHE HA 1.0 0.0 5.50 646 646 A 20 ASP H A 19 PHE HB3 1.0 0.0 4.43 647 647 A 20 ASP H A 20 ASP HB3 1.0 0.0 3.73 648 648 A 21 LYS HD2 A 20 ASP H 1.0 0.0 5.50 649 649 A 20 ASP H A 20 ASP HB2 1.0 0.0 3.73 650 650 A 35 VAL HG21 A 20 ASP H 1.0 0.0 4.79 651 651 A 35 VAL HG11 A 20 ASP H 1.0 0.0 5.50 652 652 A 20 ASP H A 27 ILE HG12 1.0 0.0 5.23 653 653 A 22 ASP H A 21 LYS H 1.0 0.0 4.05 654 654 A 21 LYS H A 20 ASP HA 1.0 0.0 3.40 655 655 A 31 GLU HG3 A 21 LYS H 1.0 0.0 4.47 656 656 A 31 GLU HG2 A 21 LYS H 1.0 0.0 4.03 657 657 A 21 LYS HD2 A 21 LYS H 1.0 0.0 3.42 658 658 A 21 LYS HG2 A 21 LYS H 1.0 0.0 3.36 659 659 A 35 VAL HG21 A 21 LYS H 1.0 0.0 4.87 660 660 A 58 ASP H A 58 ASP HB3 1.0 0.0 3.63 661 661 A 31 GLU HG2 A 22 ASP H 1.0 0.0 4.49 662 662 A 57 ALA HB1 A 58 ASP H 1.0 0.0 3.93 663 663 A 22 ASP H A 23 GLY H 1.0 0.0 2.96 664 664 A 20 ASP HA A 23 GLY H 1.0 0.0 4.16 665 665 A 23 GLY H A 22 ASP HB2 1.0 0.0 4.93 666 666 A 23 GLY H A 22 ASP HB3 1.0 0.0 4.93 667 667 A 23 GLY H A 20 ASP HB2 1.0 0.0 5.50 668 668 A 23 GLY H A 20 ASP HB3 1.0 0.0 5.50 669 669 A 24 ASP H A 24 ASP HB2 1.0 0.0 3.72 670 670 A 24 ASP HB3 A 24 ASP H 1.0 0.0 3.47 671 671 A 23 GLY H A 24 ASP H 1.0 0.0 3.34 672 672 A 25 GLY H A 24 ASP H 1.0 0.0 3.50 673 673 A 22 ASP H A 24 ASP H 1.0 0.0 4.40 674 674 A 25 GLY H A 26 THR H 1.0 0.0 3.07 675 675 A 61 GLY H A 60 ASN HA 1.0 0.0 3.48 676 676 A 25 GLY H A 24 ASP HB2 1.0 0.0 5.50 677 677 A 25 GLY H A 24 ASP HB3 1.0 0.0 4.81 678 678 A 62 THR HG21 A 61 GLY H 1.0 0.0 5.22 679 679 A 27 ILE H A 26 THR H 1.0 0.0 5.05 680 680 A 26 THR H A 24 ASP H 1.0 0.0 4.36 681 681 A 26 THR HB A 26 THR H 1.0 0.0 3.93 682 682 A 26 THR H A 24 ASP HB2 1.0 0.0 5.50 683 683 A 24 ASP HB3 A 26 THR H 1.0 0.0 5.50 684 684 A 27 ILE H A 26 THR HA 1.0 0.0 3.43 685 685 A 27 ILE H A 63 ILE HA 1.0 0.0 5.50 686 686 A 27 ILE H A 28 THR HA 1.0 0.0 4.95 687 687 A 62 THR HB A 27 ILE H 1.0 0.0 4.58 688 688 A 27 ILE H A 63 ILE HB 1.0 0.0 4.44 689 689 A 27 ILE H A 27 ILE HB 1.0 0.0 4.00 690 690 A 27 ILE H A 26 THR HG21 1.0 0.0 3.76 691 691 A 27 ILE HD11 A 27 ILE H 1.0 0.0 4.40 692 692 A 27 ILE HG12 A 27 ILE H 1.0 0.0 4.88 693 693 A 27 ILE H A 28 THR H 1.0 0.0 5.50 694 694 A 28 THR H A 31 GLU H 1.0 0.0 4.96 695 695 A 31 GLU HA A 28 THR H 1.0 0.0 5.50 696 696 A 62 THR HB A 28 THR H 1.0 0.0 5.50 697 697 A 28 THR H A 31 GLU HB3 1.0 0.0 4.17 698 698 A 31 GLU HB2 A 28 THR H 1.0 0.0 3.68 699 699 A 27 ILE HG21 A 28 THR H 1.0 0.0 3.92 700 700 A 28 THR H A 52 ILE HD11 1.0 0.0 5.50 701 701 A 27 ILE HD11 A 28 THR H 1.0 0.0 5.50 702 702 A 27 ILE HG12 A 28 THR H 1.0 0.0 5.48 703 703 A 29 THR H A 32 LEU H 1.0 0.0 5.50 704 704 A 28 THR H A 29 THR H 1.0 0.0 5.50 705 705 A 29 THR H A 28 THR HB 1.0 0.0 3.90 706 706 A 29 THR HB A 29 THR H 1.0 0.0 3.95 707 707 A 31 GLU HB2 A 29 THR H 1.0 0.0 5.50 708 708 A 32 LEU HB3 A 29 THR H 1.0 0.0 5.50 709 709 A 52 ILE HG12 A 29 THR H 1.0 0.0 5.50 710 710 A 28 THR HG21 A 29 THR H 1.0 0.0 3.87 711 711 A 29 THR H A 52 ILE HG21 1.0 0.0 4.73 712 712 A 52 ILE HD11 A 29 THR H 1.0 0.0 5.02 713 713 A 30 LYS H A 29 THR H 1.0 0.0 4.19 714 714 A 30 LYS H A 30 LYS HG3 1.0 0.0 3.95 715 715 A 28 THR HG21 A 30 LYS H 1.0 0.0 3.76 716 716 A 27 ILE HG21 A 30 LYS H 1.0 0.0 5.50 717 717 A 52 ILE HD11 A 30 LYS H 1.0 0.0 4.77 718 718 A 30 LYS HA A 31 GLU H 1.0 0.0 3.56 719 719 A 28 THR HG21 A 31 GLU H 1.0 0.0 3.52 720 720 A 31 GLU HB3 A 31 GLU H 1.0 0.0 3.66 721 721 A 31 GLU HB2 A 31 GLU H 1.0 0.0 3.21 722 722 A 33 GLY H A 32 LEU H 1.0 0.0 2.96 723 723 A 31 GLU H A 32 LEU H 1.0 0.0 3.45 724 724 A 28 THR H A 32 LEU H 1.0 0.0 4.43 725 725 A 32 LEU H A 27 ILE HA 1.0 0.0 5.25 726 726 A 29 THR HA A 32 LEU H 1.0 0.0 3.92 727 727 A 33 GLY HA3 A 32 LEU H 1.0 0.0 5.07 728 728 A 31 GLU HB3 A 32 LEU H 1.0 0.0 4.22 729 729 A 31 GLU HB2 A 32 LEU H 1.0 0.0 3.71 730 730 A 32 LEU HB3 A 32 LEU H 1.0 0.0 3.17 731 731 A 32 LEU HB2 A 32 LEU H 1.0 0.0 3.28 732 732 A 27 ILE HG21 A 32 LEU H 1.0 0.0 3.87 733 733 A 32 LEU HD21 A 32 LEU H 1.0 0.0 4.42 734 734 A 33 GLY H A 30 LYS H 1.0 0.0 5.50 735 735 A 33 GLY H A 31 GLU H 1.0 0.0 5.50 736 736 A 29 THR HA A 33 GLY H 1.0 0.0 5.07 737 737 A 33 GLY H A 31 GLU HB2 1.0 0.0 5.43 738 738 A 33 GLY H A 32 LEU HB3 1.0 0.0 3.87 739 739 A 33 GLY H A 48 LEU HG 1.0 0.0 5.50 740 740 A 33 GLY H A 32 LEU HB2 1.0 0.0 4.18 741 741 A 35 VAL HG21 A 33 GLY H 1.0 0.0 5.50 742 742 A 33 GLY H A 32 LEU HG 1.0 0.0 3.70 743 743 A 33 GLY H A 32 LEU HD21 1.0 0.0 4.34 744 744 A 33 GLY H A 34 THR H 1.0 0.0 3.52 745 745 A 34 THR H A 34 THR HB 1.0 0.0 2.96 746 746 A 34 THR H A 35 VAL HB 1.0 0.0 4.90 747 747 A 34 THR HG21 A 34 THR H 1.0 0.0 3.87 748 748 A 35 VAL HG21 A 34 THR H 1.0 0.0 4.60 749 749 A 34 THR H A 32 LEU HG 1.0 0.0 5.50 750 750 A 32 LEU HA A 35 VAL H 1.0 0.0 4.69 751 751 A 35 VAL H A 36 MET HG3 1.0 0.0 5.50 752 752 A 35 VAL H A 36 MET HG2 1.0 0.0 5.50 753 753 A 35 VAL H A 35 VAL HB 1.0 0.0 3.56 754 754 A 21 LYS HD3 A 35 VAL H 1.0 0.0 5.50 755 755 A 37 ARG H A 36 MET H 1.0 0.0 3.61 756 756 A 35 VAL H A 36 MET H 1.0 0.0 3.87 757 757 A 19 PHE HA A 36 MET H 1.0 0.0 5.50 758 758 A 36 MET H A 34 THR HB 1.0 0.0 5.50 759 759 A 36 MET H A 33 GLY HA2 1.0 0.0 4.30 760 760 A 36 MET H A 36 MET HG3 1.0 0.0 4.00 761 761 A 36 MET H A 36 MET HG2 1.0 0.0 4.00 762 762 A 36 MET H A 35 VAL HB 1.0 0.0 3.36 763 763 A 36 MET H A 36 MET HB2 1.0 0.0 4.09 764 764 A 32 LEU HB2 A 36 MET H 1.0 0.0 5.50 765 765 A 36 MET H A 32 LEU HG 1.0 0.0 4.85 766 766 A 37 ARG H A 38 SER HA 1.0 0.0 5.39 767 767 A 37 ARG H A 33 GLY HA2 1.0 0.0 4.34 768 768 A 37 ARG H A 34 THR HA 1.0 0.0 4.65 769 769 A 37 ARG H A 33 GLY HA3 1.0 0.0 4.99 770 770 A 37 ARG H A 37 ARG HD3 1.0 0.0 5.44 771 771 A 37 ARG H A 36 MET HG3 1.0 0.0 5.14 772 772 A 37 ARG H A 36 MET HG2 1.0 0.0 5.14 773 773 A 37 ARG H A 37 ARG HB2 1.0 0.0 3.30 774 774 A 37 ARG H A 37 ARG HB3 1.0 0.0 3.30 775 775 A 37 ARG H A 39 LEU HG 1.0 0.0 5.50 776 776 A 37 ARG H A 39 LEU H 1.0 0.0 5.50 777 777 A 39 LEU H A 38 SER H 1.0 0.0 3.68 778 778 A 35 VAL HA A 38 SER H 1.0 0.0 4.16 779 779 A 37 ARG H A 38 SER H 1.0 0.0 3.57 780 780 A 40 GLY H A 41 GLN H 1.0 0.0 3.32 781 781 A 37 ARG HA A 40 GLY H 1.0 0.0 4.50 782 782 A 40 GLY H A 41 GLN HB2 1.0 0.0 5.50 783 783 A 40 GLY H A 41 GLN HB3 1.0 0.0 5.50 784 784 A 39 LEU HB2 A 40 GLY H 1.0 0.0 4.31 785 785 A 39 LEU HB3 A 40 GLY H 1.0 0.0 4.49 786 786 A 39 LEU HD21 A 40 GLY H 1.0 0.0 5.50 787 787 A 39 LEU HD11 A 40 GLY H 1.0 0.0 5.50 788 788 A 39 LEU H A 41 GLN H 1.0 0.0 4.41 789 789 A 37 ARG HA A 41 GLN H 1.0 0.0 4.32 790 790 A 39 LEU HB2 A 41 GLN H 1.0 0.0 3.73 791 791 A 45 GLU H A 46 ALA H 1.0 0.0 4.46 792 792 A 45 GLU H A 45 GLU HG2 1.0 0.0 5.18 793 793 A 45 GLU H A 45 GLU HG3 1.0 0.0 5.18 794 794 A 44 THR HG21 A 45 GLU H 1.0 0.0 5.35 795 795 A 46 ALA HB1 A 45 GLU H 1.0 0.0 5.50 796 796 A 46 ALA H A 48 LEU H 1.0 0.0 5.03 797 797 A 46 ALA H A 47 GLU H 1.0 0.0 4.18 798 798 A 46 ALA H A 45 GLU HG2 1.0 0.0 5.50 799 799 A 46 ALA H A 45 GLU HG3 1.0 0.0 5.50 800 800 A 46 ALA HB1 A 46 ALA H 1.0 0.0 3.05 801 801 A 48 LEU H A 47 GLU H 1.0 0.0 3.78 802 802 A 48 LEU H A 48 LEU HB2 1.0 0.0 4.06 803 803 A 48 LEU HG A 48 LEU H 1.0 0.0 4.22 804 804 A 48 LEU H A 48 LEU HB3 1.0 0.0 4.06 805 805 A 49 GLN H A 48 LEU H 1.0 0.0 3.80 806 806 A 49 GLN H A 47 GLU H 1.0 0.0 4.79 807 807 A 49 GLN H A 51 MET H 1.0 0.0 5.11 808 808 A 46 ALA HA A 49 GLN H 1.0 0.0 3.97 809 809 A 49 GLN H A 49 GLN HG2 1.0 0.0 5.31 810 810 A 49 GLN H A 49 GLN HG3 1.0 0.0 5.31 811 811 A 72 MET H A 73 ALA H 1.0 0.0 3.17 812 812 A 70 THR HA A 73 ALA H 1.0 0.0 4.09 813 813 A 49 GLN HB3 A 50 ASP H 1.0 0.0 3.84 814 814 A 50 ASP H A 49 GLN HG2 1.0 0.0 5.50 815 815 A 50 ASP H A 49 GLN HG3 1.0 0.0 5.50 816 816 A 73 ALA H A 72 MET HG3 1.0 0.0 3.80 817 817 A 73 ALA H A 72 MET HG2 1.0 0.0 3.80 818 818 A 73 ALA HB1 A 73 ALA H 1.0 0.0 3.10 819 819 A 52 ILE H A 53 ASN H 1.0 0.0 4.17 820 820 A 54 GLU H A 53 ASN H 1.0 0.0 4.85 821 821 A 52 ILE HB A 53 ASN H 1.0 0.0 3.87 822 822 A 52 ILE HG13 A 53 ASN H 1.0 0.0 4.55 823 823 A 52 ILE HG21 A 53 ASN H 1.0 0.0 4.23 824 824 A 56 ASP H A 55 VAL H 1.0 0.0 4.37 825 825 A 55 VAL H A 55 VAL HG11 1.0 0.0 4.56 826 826 A 57 ALA H A 59 GLY H 1.0 0.0 5.50 827 827 A 59 GLY H A 58 ASP H 1.0 0.0 2.91 828 828 A 58 ASP H A 58 ASP HB2 1.0 0.0 3.63 829 829 A 59 GLY H A 58 ASP HB3 1.0 0.0 5.00 830 830 A 59 GLY H A 58 ASP HB2 1.0 0.0 5.00 831 831 A 62 THR H A 61 GLY H 1.0 0.0 3.44 832 832 A 25 GLY H A 26 THR HG21 1.0 0.0 4.79 833 833 A 27 ILE H A 63 ILE H 1.0 0.0 4.29 834 834 A 63 ILE H A 62 THR H 1.0 0.0 5.50 835 835 A 26 THR HA A 63 ILE H 1.0 0.0 5.50 836 836 A 63 ILE H A 28 THR HA 1.0 0.0 4.07 837 837 A 26 THR HB A 63 ILE H 1.0 0.0 4.63 838 838 A 63 ILE HB A 63 ILE H 1.0 0.0 3.94 839 839 A 63 ILE H A 63 ILE HG13 1.0 0.0 4.05 840 840 A 63 ILE H A 63 ILE HG12 1.0 0.0 4.05 841 841 A 27 ILE HG21 A 63 ILE H 1.0 0.0 4.54 842 842 A 63 ILE H A 63 ILE HD11 1.0 0.0 4.68 843 843 A 63 ILE HA A 64 ASP H 1.0 0.0 3.20 844 844 A 64 ASP H A 64 ASP HB3 1.0 0.0 4.19 845 845 A 64 ASP H A 64 ASP HB2 1.0 0.0 4.19 846 846 A 64 ASP H A 66 PRO HG2 1.0 0.0 5.50 847 847 A 63 ILE HG21 A 64 ASP H 1.0 0.0 3.68 848 848 A 65 PHE HD% A 65 PHE H 1.0 0.0 4.39 849 849 A 65 PHE H A 64 ASP HB3 1.0 0.0 3.53 850 850 A 65 PHE H A 64 ASP HB2 1.0 0.0 3.53 851 851 A 66 PRO HG2 A 65 PHE H 1.0 0.0 4.70 852 852 A 26 THR HG21 A 65 PHE H 1.0 0.0 4.83 853 853 A 65 PHE H A 67 GLU H 1.0 0.0 5.50 854 854 A 69 LEU H A 67 GLU H 1.0 0.0 5.50 855 855 A 64 ASP H A 67 GLU H 1.0 0.0 4.68 856 856 A 68 PHE H A 67 GLU H 1.0 0.0 3.75 857 857 A 65 PHE HD% A 67 GLU H 1.0 0.0 5.50 858 858 A 63 ILE HA A 67 GLU H 1.0 0.0 5.50 859 859 A 67 GLU H A 67 GLU HG2 1.0 0.0 3.57 860 860 A 67 GLU H A 67 GLU HG3 1.0 0.0 3.57 861 861 A 66 PRO HG2 A 67 GLU H 1.0 0.0 3.90 862 862 A 63 ILE HG21 A 67 GLU H 1.0 0.0 3.93 863 863 A 69 LEU HD21 A 67 GLU H 1.0 0.0 5.16 864 864 A 68 PHE H A 64 ASP H 1.0 0.0 5.26 865 865 A 70 THR H A 68 PHE H 1.0 0.0 5.50 866 866 A 12 PHE HD% A 68 PHE H 1.0 0.0 5.50 867 867 A 68 PHE H A 71 MET H 1.0 0.0 5.03 868 868 A 68 PHE HD% A 68 PHE H 1.0 0.0 4.40 869 869 A 63 ILE HA A 68 PHE H 1.0 0.0 5.50 870 870 A 70 THR HB A 68 PHE H 1.0 0.0 5.06 871 871 A 68 PHE H A 68 PHE HB3 1.0 0.0 3.75 872 872 A 68 PHE H A 68 PHE HB2 1.0 0.0 3.75 873 873 A 68 PHE H A 67 GLU HG2 1.0 0.0 4.99 874 874 A 68 PHE H A 67 GLU HG3 1.0 0.0 4.99 875 875 A 68 PHE H A 66 PRO HG2 1.0 0.0 5.50 876 876 A 71 MET HG2 A 68 PHE H 1.0 0.0 5.50 877 877 A 63 ILE HD11 A 68 PHE H 1.0 0.0 5.50 878 878 A 69 LEU HB3 A 68 PHE H 1.0 0.0 5.50 879 879 A 69 LEU HD21 A 68 PHE H 1.0 0.0 5.50 880 880 A 71 MET HE1 A 68 PHE H 1.0 0.0 5.50 881 881 A 27 ILE HD11 A 68 PHE H 1.0 0.0 5.50 882 882 A 70 THR H A 71 MET H 1.0 0.0 3.63 883 883 A 66 PRO HA A 70 THR H 1.0 0.0 4.94 884 884 A 68 PHE HA A 70 THR H 1.0 0.0 5.50 885 885 A 70 THR H A 70 THR HB 1.0 0.0 3.64 886 886 A 70 THR H A 71 MET HG2 1.0 0.0 4.41 887 887 A 69 LEU HB3 A 70 THR H 1.0 0.0 3.70 888 888 A 70 THR H A 70 THR HG21 1.0 0.0 3.81 889 889 A 70 THR H A 69 LEU HD21 1.0 0.0 4.53 890 890 A 72 MET H A 71 MET H 1.0 0.0 3.67 891 891 A 71 MET H A 67 GLU HA 1.0 0.0 4.26 892 892 A 70 THR HB A 71 MET H 1.0 0.0 4.06 893 893 A 69 LEU HA A 71 MET H 1.0 0.0 5.50 894 894 A 71 MET HG2 A 71 MET H 1.0 0.0 3.20 895 895 A 73 ALA HB1 A 71 MET H 1.0 0.0 5.05 896 896 A 70 THR HG21 A 71 MET H 1.0 0.0 4.11 897 897 A 71 MET HE1 A 71 MET H 1.0 0.0 5.50 898 898 A 74 ARG H A 72 MET H 1.0 0.0 5.02 899 899 A 70 THR HA A 72 MET H 1.0 0.0 5.42 900 900 A 70 THR HB A 72 MET H 1.0 0.0 5.21 901 901 A 72 MET H A 71 MET HB2 1.0 0.0 5.18 902 902 A 72 MET H A 71 MET HB3 1.0 0.0 5.18 903 903 A 71 MET HG2 A 72 MET H 1.0 0.0 3.81 904 904 A 71 MET HG3 A 72 MET H 1.0 0.0 4.10 905 905 A 72 MET HB3 A 72 MET H 1.0 0.0 3.39 906 906 A 72 MET H A 72 MET HG3 1.0 0.0 3.73 907 907 A 72 MET H A 72 MET HG2 1.0 0.0 3.73 908 908 A 69 LEU HA A 73 ALA H 1.0 0.0 5.50 909 909 A 74 ARG H A 73 ALA H 1.0 0.0 3.80 910 910 A 73 ALA H A 71 MET H 1.0 0.0 5.50 911 911 A 74 ARG H A 75 LYS H 1.0 0.0 4.08 912 912 A 71 MET HA A 74 ARG H 1.0 0.0 4.84 913 913 A 72 MET HA A 74 ARG H 1.0 0.0 5.37 914 914 A 74 ARG H A 74 ARG HG2 1.0 0.0 4.33 915 915 A 70 THR HG21 A 74 ARG H 1.0 0.0 5.50 916 916 A 74 ARG H A 72 MET HG3 1.0 0.0 5.50 917 917 A 74 ARG H A 72 MET HG2 1.0 0.0 5.50 918 918 A 46 ALA HB1 A 47 GLU H 1.0 0.0 3.83 919 919 A 77 LYS H A 77 LYS HG2 1.0 0.0 5.50 920 920 A 77 LYS H A 77 LYS HG3 1.0 0.0 5.50 921 921 A 10 ALA H A 9 ILE HG12 1.0 0.0 3.40 922 922 A 28 THR HA A 29 THR H 1.0 0.0 2.98 923 923 A 17 SER H A 18 LEU HD21 1.0 0.0 5.50 924 924 A 18 LEU H A 27 ILE HD11 1.0 0.0 5.50 925 925 A 25 GLY H A 26 THR HA 1.0 0.0 5.34 926 926 A 13 LYS H A 12 PHE HE% 1.0 0.0 4.88 927 927 A 28 THR H A 28 THR HB 1.0 0.0 3.55 928 928 A 69 LEU HB3 A 67 GLU H 1.0 0.0 5.50 929 929 A 3 GLN H A 3 GLN HG3 1.0 0.0 4.36 930 929 A 3 GLN H A 3 GLN HG2 1.0 0.0 4.36 931 930 A 3 GLN HA A 4 LEU HB2 1.0 0.0 5.34 932 930 A 3 GLN HA A 4 LEU HB3 1.0 0.0 5.34 933 931 A 3 GLN HA A 4 LEU HD21 1.0 0.0 5.44 934 931 A 3 GLN HA A 4 LEU HD11 1.0 0.0 5.44 935 932 A 4 LEU H A 3 GLN HB3 1.0 0.0 4.27 936 932 A 4 LEU H A 3 GLN HB2 1.0 0.0 4.27 937 933 A 4 LEU H A 4 LEU HB2 1.0 0.0 3.54 938 933 A 4 LEU H A 4 LEU HB3 1.0 0.0 3.54 939 934 A 4 LEU H A 4 LEU HD21 1.0 0.0 4.67 940 934 A 4 LEU H A 4 LEU HD11 1.0 0.0 4.67 941 935 A 4 LEU HA A 4 LEU HD21 1.0 0.0 3.61 942 935 A 4 LEU HD11 A 4 LEU HA 1.0 0.0 3.61 943 936 A 4 LEU HD11 A 4 LEU HB2 1.0 0.0 3.23 944 936 A 4 LEU HB3 A 4 LEU HD11 1.0 0.0 3.23 945 937 A 4 LEU HB2 A 4 LEU HD21 1.0 0.0 3.21 946 937 A 4 LEU HB3 A 4 LEU HD21 1.0 0.0 3.21 947 938 A 5 THR H A 4 LEU HB2 1.0 0.0 3.89 948 938 A 5 THR H A 4 LEU HB3 1.0 0.0 3.89 949 939 A 4 LEU HB3 A 8 GLN HG3 1.0 0.0 5.18 950 939 A 4 LEU HB2 A 8 GLN HG3 1.0 0.0 5.18 951 939 A 8 GLN HG2 A 4 LEU HB2 1.0 0.0 5.18 952 939 A 4 LEU HB3 A 8 GLN HG2 1.0 0.0 5.18 953 940 A 5 THR H A 4 LEU HD21 1.0 0.0 3.85 954 940 A 5 THR H A 4 LEU HD11 1.0 0.0 3.85 955 941 A 5 THR HA A 4 LEU HD21 1.0 0.0 5.44 956 941 A 5 THR HA A 4 LEU HD11 1.0 0.0 5.44 957 942 A 8 GLN H A 4 LEU HD21 1.0 0.0 4.56 958 942 A 8 GLN H A 4 LEU HD11 1.0 0.0 4.56 959 943 A 8 GLN HA A 4 LEU HD21 1.0 0.0 4.79 960 943 A 8 GLN HA A 4 LEU HD11 1.0 0.0 4.79 961 944 A 8 GLN HB2 A 4 LEU HD21 1.0 0.0 4.15 962 944 A 8 GLN HB2 A 4 LEU HD11 1.0 0.0 4.15 963 945 A 8 GLN HB3 A 4 LEU HD21 1.0 0.0 3.85 964 945 A 8 GLN HB3 A 4 LEU HD11 1.0 0.0 3.85 965 946 A 4 LEU HD21 A 8 GLN HG3 1.0 0.0 4.18 966 946 A 8 GLN HG2 A 4 LEU HD21 1.0 0.0 4.18 967 946 A 4 LEU HD11 A 8 GLN HG2 1.0 0.0 4.18 968 946 A 4 LEU HD11 A 8 GLN HG3 1.0 0.0 4.18 969 947 A 9 ILE HA A 4 LEU HD21 1.0 0.0 5.05 970 947 A 9 ILE HA A 4 LEU HD11 1.0 0.0 5.05 971 948 A 9 ILE HG21 A 4 LEU HD21 1.0 0.0 4.12 972 948 A 9 ILE HG21 A 4 LEU HD11 1.0 0.0 4.12 973 949 A 69 LEU HG A 4 LEU HD21 1.0 0.0 4.73 974 949 A 69 LEU HG A 4 LEU HD11 1.0 0.0 4.73 975 950 A 69 LEU HD11 A 4 LEU HD21 1.0 0.0 4.16 976 950 A 69 LEU HD11 A 4 LEU HD11 1.0 0.0 4.16 977 951 A 73 ALA HA A 4 LEU HD21 1.0 0.0 5.34 978 951 A 73 ALA HA A 4 LEU HD11 1.0 0.0 5.34 979 952 A 73 ALA HB1 A 4 LEU HD21 1.0 0.0 3.48 980 952 A 73 ALA HB1 A 4 LEU HD11 1.0 0.0 3.48 981 953 A 5 THR H A 8 GLN HG3 1.0 0.0 4.14 982 953 A 5 THR H A 8 GLN HG2 1.0 0.0 4.14 983 954 A 5 THR HG21 A 6 GLU HB2 1.0 0.0 4.62 984 954 A 5 THR HG21 A 6 GLU HB3 1.0 0.0 4.62 985 955 A 5 THR HG21 A 7 GLU HG3 1.0 0.0 4.03 986 955 A 5 THR HG21 A 7 GLU HG2 1.0 0.0 4.03 987 956 A 6 GLU H A 6 GLU HB2 1.0 0.0 3.29 988 956 A 6 GLU H A 6 GLU HB3 1.0 0.0 3.29 989 957 A 6 GLU H A 6 GLU HG3 1.0 0.0 4.00 990 957 A 6 GLU H A 6 GLU HG2 1.0 0.0 4.00 991 958 A 6 GLU HA A 6 GLU HB2 1.0 0.0 2.48 992 958 A 6 GLU HA A 6 GLU HB3 1.0 0.0 2.48 993 959 A 6 GLU HA A 6 GLU HG3 1.0 0.0 2.91 994 959 A 6 GLU HA A 6 GLU HG2 1.0 0.0 2.91 995 960 A 7 GLU H A 6 GLU HB2 1.0 0.0 3.13 996 960 A 7 GLU H A 6 GLU HB3 1.0 0.0 3.13 997 961 A 9 ILE HD11 A 6 GLU HB2 1.0 0.0 3.94 998 961 A 9 ILE HD11 A 6 GLU HB3 1.0 0.0 3.94 999 962 A 9 ILE HG21 A 6 GLU HG3 1.0 0.0 5.34 1000 962 A 9 ILE HG21 A 6 GLU HG2 1.0 0.0 5.34 1001 963 A 9 ILE HG12 A 6 GLU HG3 1.0 0.0 5.34 1002 963 A 9 ILE HG12 A 6 GLU HG2 1.0 0.0 5.34 1003 964 A 9 ILE HD11 A 6 GLU HG3 1.0 0.0 4.01 1004 964 A 9 ILE HD11 A 6 GLU HG2 1.0 0.0 4.01 1005 965 A 7 GLU H A 7 GLU HG3 1.0 0.0 4.10 1006 965 A 7 GLU H A 7 GLU HG2 1.0 0.0 4.10 1007 966 A 7 GLU HA A 7 GLU HG3 1.0 0.0 3.10 1008 966 A 7 GLU HA A 7 GLU HG2 1.0 0.0 3.10 1009 967 A 8 GLN H A 7 GLU HB2 1.0 0.0 4.02 1010 967 A 8 GLN H A 7 GLU HB3 1.0 0.0 4.02 1011 968 A 8 GLN H A 7 GLU HG3 1.0 0.0 4.11 1012 968 A 8 GLN H A 7 GLU HG2 1.0 0.0 4.11 1013 969 A 8 GLN H A 8 GLN HG3 1.0 0.0 3.98 1014 969 A 8 GLN H A 8 GLN HG2 1.0 0.0 3.98 1015 970 A 8 GLN HA A 8 GLN HG3 1.0 0.0 3.54 1016 970 A 8 GLN HA A 8 GLN HG2 1.0 0.0 3.54 1017 971 A 8 GLN HA A 11 GLU HB2 1.0 0.0 4.15 1018 971 A 8 GLN HA A 11 GLU HB3 1.0 0.0 4.15 1019 972 A 10 ALA H A 11 GLU HB2 1.0 0.0 4.52 1020 972 A 10 ALA H A 11 GLU HB3 1.0 0.0 4.52 1021 973 A 10 ALA HA A 13 LYS HB3 1.0 0.0 3.21 1022 973 A 10 ALA HA A 13 LYS HB2 1.0 0.0 3.21 1023 974 A 10 ALA HA A 13 LYS HG3 1.0 0.0 5.27 1024 974 A 10 ALA HA A 13 LYS HG2 1.0 0.0 5.27 1025 975 A 10 ALA HB1 A 11 GLU HG3 1.0 0.0 3.91 1026 975 A 10 ALA HB1 A 11 GLU HG2 1.0 0.0 3.91 1027 976 A 11 GLU H A 11 GLU HB2 1.0 0.0 2.77 1028 976 A 11 GLU H A 11 GLU HB3 1.0 0.0 2.77 1029 977 A 11 GLU H A 11 GLU HG3 1.0 0.0 2.92 1030 977 A 11 GLU H A 11 GLU HG2 1.0 0.0 2.92 1031 978 A 11 GLU HA A 11 GLU HG3 1.0 0.0 3.31 1032 978 A 11 GLU HA A 11 GLU HG2 1.0 0.0 3.31 1033 979 A 12 PHE H A 11 GLU HB2 1.0 0.0 3.43 1034 979 A 12 PHE H A 11 GLU HB3 1.0 0.0 3.43 1035 980 A 12 PHE H A 11 GLU HG3 1.0 0.0 4.64 1036 980 A 12 PHE H A 11 GLU HG2 1.0 0.0 4.64 1037 981 A 12 PHE HD% A 13 LYS HB3 1.0 0.0 4.58 1038 981 A 12 PHE HD% A 13 LYS HB2 1.0 0.0 4.58 1039 982 A 13 LYS H A 13 LYS HG3 1.0 0.0 4.25 1040 982 A 13 LYS H A 13 LYS HG2 1.0 0.0 4.25 1041 983 A 13 LYS H A 13 LYS HD3 1.0 0.0 4.83 1042 983 A 13 LYS H A 13 LYS HD2 1.0 0.0 4.83 1043 984 A 13 LYS H A 13 LYS HE3 1.0 0.0 5.34 1044 984 A 13 LYS H A 13 LYS HE2 1.0 0.0 5.34 1045 985 A 13 LYS HA A 13 LYS HB3 1.0 0.0 2.62 1046 985 A 13 LYS HA A 13 LYS HB2 1.0 0.0 2.62 1047 986 A 13 LYS HB3 A 13 LYS HE3 1.0 0.0 4.04 1048 986 A 13 LYS HB2 A 13 LYS HE3 1.0 0.0 4.04 1049 986 A 13 LYS HE2 A 13 LYS HB3 1.0 0.0 4.04 1050 986 A 13 LYS HB2 A 13 LYS HE2 1.0 0.0 4.04 1051 987 A 13 LYS HD3 A 13 LYS HG3 1.0 0.0 2.37 1052 987 A 13 LYS HD2 A 13 LYS HG3 1.0 0.0 2.37 1053 987 A 13 LYS HG2 A 13 LYS HD3 1.0 0.0 2.37 1054 987 A 13 LYS HG2 A 13 LYS HD2 1.0 0.0 2.37 1055 988 A 13 LYS HE2 A 13 LYS HG3 1.0 0.0 3.28 1056 988 A 13 LYS HE3 A 13 LYS HG3 1.0 0.0 3.28 1057 988 A 13 LYS HG2 A 13 LYS HE3 1.0 0.0 3.28 1058 988 A 13 LYS HG2 A 13 LYS HE2 1.0 0.0 3.28 1059 989 A 17 SER H A 13 LYS HG3 1.0 0.0 5.34 1060 989 A 17 SER H A 13 LYS HG2 1.0 0.0 5.34 1061 990 A 16 PHE HD% A 13 LYS HD3 1.0 0.0 5.34 1062 990 A 16 PHE HD% A 13 LYS HD2 1.0 0.0 5.34 1063 991 A 17 SER H A 13 LYS HD3 1.0 0.0 5.34 1064 991 A 17 SER H A 13 LYS HD2 1.0 0.0 5.34 1065 992 A 13 LYS HD2 A 17 SER HB2 1.0 0.0 4.72 1066 992 A 13 LYS HD3 A 17 SER HB2 1.0 0.0 4.72 1067 992 A 17 SER HB3 A 13 LYS HD3 1.0 0.0 4.72 1068 992 A 13 LYS HD2 A 17 SER HB3 1.0 0.0 4.72 1069 993 A 14 GLU H A 14 GLU HG3 1.0 0.0 3.01 1070 993 A 14 GLU H A 14 GLU HG2 1.0 0.0 3.01 1071 994 A 14 GLU HA A 14 GLU HG3 1.0 0.0 3.27 1072 994 A 14 GLU HA A 14 GLU HG2 1.0 0.0 3.27 1073 995 A 15 ALA HA A 18 LEU HB2 1.0 0.0 5.34 1074 995 A 15 ALA HA A 18 LEU HB3 1.0 0.0 5.34 1075 996 A 17 SER H A 17 SER HB2 1.0 0.0 3.26 1076 996 A 17 SER H A 17 SER HB3 1.0 0.0 3.26 1077 997 A 17 SER HA A 20 ASP HB3 1.0 0.0 3.67 1078 997 A 17 SER HA A 20 ASP HB2 1.0 0.0 3.67 1079 998 A 18 LEU H A 17 SER HB2 1.0 0.0 3.65 1080 998 A 18 LEU H A 17 SER HB3 1.0 0.0 3.65 1081 999 A 18 LEU HD21 A 17 SER HB2 1.0 0.0 4.00 1082 999 A 18 LEU HD21 A 17 SER HB3 1.0 0.0 4.00 1083 1000 A 18 LEU H A 18 LEU HB2 1.0 0.0 3.34 1084 1000 A 18 LEU H A 18 LEU HB3 1.0 0.0 3.34 1085 1001 A 18 LEU HD11 A 18 LEU HB2 1.0 0.0 3.26 1086 1001 A 18 LEU HD11 A 18 LEU HB3 1.0 0.0 3.26 1087 1002 A 19 PHE HA A 18 LEU HB2 1.0 0.0 4.71 1088 1002 A 19 PHE HA A 18 LEU HB3 1.0 0.0 4.71 1089 1003 A 19 PHE H A 20 ASP HB3 1.0 0.0 4.43 1090 1003 A 19 PHE H A 20 ASP HB2 1.0 0.0 4.43 1091 1004 A 22 ASP H A 20 ASP HB3 1.0 0.0 5.34 1092 1004 A 22 ASP H A 20 ASP HB2 1.0 0.0 5.34 1093 1005 A 23 GLY H A 20 ASP HB3 1.0 0.0 4.65 1094 1005 A 23 GLY H A 20 ASP HB2 1.0 0.0 4.65 1095 1006 A 27 ILE HD11 A 20 ASP HB3 1.0 0.0 3.80 1096 1006 A 27 ILE HD11 A 20 ASP HB2 1.0 0.0 3.80 1097 1007 A 21 LYS H A 21 LYS HB3 1.0 0.0 3.32 1098 1007 A 21 LYS H A 21 LYS HB2 1.0 0.0 3.32 1099 1008 A 21 LYS H A 21 LYS HE2 1.0 0.0 4.71 1100 1008 A 21 LYS H A 21 LYS HE3 1.0 0.0 4.71 1101 1009 A 35 VAL HG21 A 21 LYS HE2 1.0 0.0 3.73 1102 1009 A 35 VAL HG21 A 21 LYS HE3 1.0 0.0 3.73 1103 1010 A 22 ASP H A 22 ASP HB3 1.0 0.0 3.67 1104 1010 A 22 ASP H A 22 ASP HB2 1.0 0.0 3.67 1105 1011 A 22 ASP H A 23 GLY HA2 1.0 0.0 4.76 1106 1011 A 22 ASP H A 23 GLY HA3 1.0 0.0 4.76 1107 1012 A 23 GLY H A 22 ASP HB3 1.0 0.0 4.13 1108 1012 A 23 GLY H A 22 ASP HB2 1.0 0.0 4.13 1109 1013 A 24 ASP H A 22 ASP HB3 1.0 0.0 5.34 1110 1013 A 24 ASP H A 22 ASP HB2 1.0 0.0 5.34 1111 1014 A 23 GLY H A 23 GLY HA2 1.0 0.0 2.56 1112 1014 A 23 GLY H A 23 GLY HA3 1.0 0.0 2.56 1113 1015 A 26 THR HA A 25 GLY HA2 1.0 0.0 5.09 1114 1015 A 26 THR HA A 25 GLY HA3 1.0 0.0 5.09 1115 1016 A 26 THR HG21 A 25 GLY HA2 1.0 0.0 4.29 1116 1016 A 26 THR HG21 A 25 GLY HA3 1.0 0.0 4.29 1117 1017 A 26 THR HA A 64 ASP HB3 1.0 0.0 5.34 1118 1017 A 26 THR HA A 64 ASP HB2 1.0 0.0 5.34 1119 1018 A 26 THR HG21 A 64 ASP HB3 1.0 0.0 3.89 1120 1018 A 26 THR HG21 A 64 ASP HB2 1.0 0.0 3.89 1121 1019 A 28 THR HG21 A 30 LYS HB2 1.0 0.0 3.47 1122 1019 A 28 THR HG21 A 30 LYS HB3 1.0 0.0 3.47 1123 1020 A 28 THR HG21 A 30 LYS HE3 1.0 0.0 4.67 1124 1020 A 28 THR HG21 A 30 LYS HE2 1.0 0.0 4.67 1125 1021 A 29 THR H A 30 LYS HB2 1.0 0.0 5.34 1126 1021 A 29 THR H A 30 LYS HB3 1.0 0.0 5.34 1127 1022 A 29 THR HG21 A 49 GLN HG3 1.0 0.0 3.68 1128 1022 A 29 THR HG21 A 49 GLN HG2 1.0 0.0 3.68 1129 1023 A 29 THR HG21 A 61 GLY HA2 1.0 0.0 5.03 1130 1023 A 29 THR HG21 A 61 GLY HA3 1.0 0.0 5.03 1131 1024 A 30 LYS H A 30 LYS HB2 1.0 0.0 2.99 1132 1024 A 30 LYS H A 30 LYS HB3 1.0 0.0 2.99 1133 1025 A 30 LYS HA A 30 LYS HG3 1.0 0.0 3.26 1134 1025 A 30 LYS HA A 30 LYS HG2 1.0 0.0 3.26 1135 1026 A 30 LYS HA A 30 LYS HD3 1.0 0.0 4.76 1136 1026 A 30 LYS HA A 30 LYS HD2 1.0 0.0 4.76 1137 1027 A 30 LYS HB2 A 30 LYS HD3 1.0 0.0 3.26 1138 1027 A 30 LYS HB3 A 30 LYS HD3 1.0 0.0 3.26 1139 1027 A 30 LYS HD2 A 30 LYS HB2 1.0 0.0 3.26 1140 1027 A 30 LYS HB3 A 30 LYS HD2 1.0 0.0 3.26 1141 1028 A 31 GLU H A 30 LYS HB2 1.0 0.0 3.08 1142 1028 A 31 GLU H A 30 LYS HB3 1.0 0.0 3.08 1143 1029 A 31 GLU HG3 A 30 LYS HB2 1.0 0.0 4.07 1144 1029 A 31 GLU HG3 A 30 LYS HB3 1.0 0.0 4.07 1145 1030 A 32 LEU HA A 36 MET HG2 1.0 0.0 4.54 1146 1030 A 32 LEU HA A 36 MET HG3 1.0 0.0 4.54 1147 1031 A 32 LEU HB2 A 36 MET HG2 1.0 0.0 4.73 1148 1031 A 32 LEU HB2 A 36 MET HG3 1.0 0.0 4.73 1149 1032 A 32 LEU HG A 36 MET HG2 1.0 0.0 4.52 1150 1032 A 32 LEU HG A 36 MET HG3 1.0 0.0 4.52 1151 1033 A 32 LEU HG A 48 LEU HB2 1.0 0.0 3.46 1152 1033 A 32 LEU HG A 48 LEU HB3 1.0 0.0 3.46 1153 1034 A 32 LEU HD11 A 36 MET HB2 1.0 0.0 4.51 1154 1034 A 32 LEU HD11 A 36 MET HB3 1.0 0.0 4.51 1155 1035 A 32 LEU HD11 A 36 MET HG2 1.0 0.0 3.61 1156 1035 A 32 LEU HD11 A 36 MET HG3 1.0 0.0 3.61 1157 1036 A 32 LEU HD11 A 48 LEU HB2 1.0 0.0 4.83 1158 1036 A 32 LEU HD11 A 48 LEU HB3 1.0 0.0 4.83 1159 1037 A 32 LEU HD21 A 36 MET HG2 1.0 0.0 4.78 1160 1037 A 32 LEU HD21 A 36 MET HG3 1.0 0.0 4.78 1161 1038 A 32 LEU HD21 A 48 LEU HB2 1.0 0.0 4.04 1162 1038 A 32 LEU HD21 A 48 LEU HB3 1.0 0.0 4.04 1163 1039 A 33 GLY H A 48 LEU HB2 1.0 0.0 5.16 1164 1039 A 33 GLY H A 48 LEU HB3 1.0 0.0 5.16 1165 1040 A 33 GLY H A 48 LEU HD11 1.0 0.0 4.50 1166 1040 A 33 GLY H A 48 LEU HD21 1.0 0.0 4.50 1167 1041 A 33 GLY HA2 A 36 MET HB2 1.0 0.0 4.65 1168 1041 A 33 GLY HA2 A 36 MET HB3 1.0 0.0 4.65 1169 1042 A 33 GLY HA2 A 48 LEU HD11 1.0 0.0 3.08 1170 1042 A 33 GLY HA2 A 48 LEU HD21 1.0 0.0 3.08 1171 1043 A 33 GLY HA3 A 48 LEU HB2 1.0 0.0 4.76 1172 1043 A 33 GLY HA3 A 48 LEU HB3 1.0 0.0 4.76 1173 1044 A 33 GLY HA3 A 48 LEU HD11 1.0 0.0 3.63 1174 1044 A 33 GLY HA3 A 48 LEU HD21 1.0 0.0 3.63 1175 1045 A 34 THR H A 48 LEU HD11 1.0 0.0 5.06 1176 1045 A 34 THR H A 48 LEU HD21 1.0 0.0 5.06 1177 1046 A 34 THR HA A 37 ARG HB3 1.0 0.0 3.77 1178 1046 A 34 THR HA A 37 ARG HB2 1.0 0.0 3.77 1179 1047 A 35 VAL H A 36 MET HB2 1.0 0.0 5.34 1180 1047 A 35 VAL H A 36 MET HB3 1.0 0.0 5.34 1181 1048 A 35 VAL H A 37 ARG HB3 1.0 0.0 5.31 1182 1048 A 35 VAL H A 37 ARG HB2 1.0 0.0 5.31 1183 1049 A 35 VAL H A 48 LEU HD11 1.0 0.0 5.44 1184 1049 A 35 VAL H A 48 LEU HD21 1.0 0.0 5.44 1185 1050 A 35 VAL HA A 38 SER HB2 1.0 0.0 3.27 1186 1050 A 35 VAL HA A 38 SER HB3 1.0 0.0 3.27 1187 1051 A 35 VAL HB A 36 MET HG2 1.0 0.0 4.71 1188 1051 A 35 VAL HB A 36 MET HG3 1.0 0.0 4.71 1189 1052 A 35 VAL HG11 A 36 MET HG2 1.0 0.0 4.25 1190 1052 A 35 VAL HG11 A 36 MET HG3 1.0 0.0 4.25 1191 1053 A 35 VAL HG11 A 38 SER HB2 1.0 0.0 4.34 1192 1053 A 35 VAL HG11 A 38 SER HB3 1.0 0.0 4.34 1193 1054 A 36 MET H A 36 MET HB2 1.0 0.0 3.44 1194 1054 A 36 MET H A 36 MET HB3 1.0 0.0 3.44 1195 1055 A 36 MET H A 36 MET HG2 1.0 0.0 3.46 1196 1055 A 36 MET H A 36 MET HG3 1.0 0.0 3.46 1197 1056 A 36 MET HE1 A 36 MET HB2 1.0 0.0 3.28 1198 1056 A 36 MET HE1 A 36 MET HB3 1.0 0.0 3.28 1199 1057 A 36 MET HB2 A 48 LEU HD11 1.0 0.0 3.04 1200 1057 A 48 LEU HD21 A 36 MET HB2 1.0 0.0 3.04 1201 1057 A 36 MET HB3 A 48 LEU HD21 1.0 0.0 3.04 1202 1057 A 36 MET HB3 A 48 LEU HD11 1.0 0.0 3.04 1203 1058 A 37 ARG H A 36 MET HG2 1.0 0.0 4.49 1204 1058 A 37 ARG H A 36 MET HG3 1.0 0.0 4.49 1205 1059 A 36 MET HG3 A 48 LEU HD11 1.0 0.0 3.50 1206 1059 A 36 MET HG2 A 48 LEU HD11 1.0 0.0 3.50 1207 1059 A 48 LEU HD21 A 36 MET HG2 1.0 0.0 3.50 1208 1059 A 36 MET HG3 A 48 LEU HD21 1.0 0.0 3.50 1209 1060 A 37 ARG H A 37 ARG HB3 1.0 0.0 2.84 1210 1060 A 37 ARG H A 37 ARG HB2 1.0 0.0 2.84 1211 1061 A 37 ARG H A 37 ARG HD3 1.0 0.0 4.67 1212 1061 A 37 ARG H A 37 ARG HD2 1.0 0.0 4.67 1213 1062 A 37 ARG H A 48 LEU HD11 1.0 0.0 4.57 1214 1062 A 37 ARG H A 48 LEU HD21 1.0 0.0 4.57 1215 1063 A 38 SER H A 38 SER HB2 1.0 0.0 3.25 1216 1063 A 38 SER H A 38 SER HB3 1.0 0.0 3.25 1217 1064 A 39 LEU H A 38 SER HB2 1.0 0.0 3.54 1218 1064 A 39 LEU H A 38 SER HB3 1.0 0.0 3.54 1219 1065 A 39 LEU HG A 38 SER HB2 1.0 0.0 3.76 1220 1065 A 39 LEU HG A 38 SER HB3 1.0 0.0 3.76 1221 1066 A 39 LEU HB2 A 40 GLY HA2 1.0 0.0 5.34 1222 1066 A 39 LEU HB2 A 40 GLY HA3 1.0 0.0 5.34 1223 1067 A 39 LEU HD11 A 41 GLN HB3 1.0 0.0 4.64 1224 1067 A 39 LEU HD11 A 41 GLN HB2 1.0 0.0 4.64 1225 1068 A 42 ASN HB3 A 43 PRO HD2 1.0 0.0 3.15 1226 1068 A 42 ASN HB2 A 43 PRO HD2 1.0 0.0 3.15 1227 1068 A 43 PRO HD3 A 42 ASN HB3 1.0 0.0 3.15 1228 1068 A 42 ASN HB2 A 43 PRO HD3 1.0 0.0 3.15 1229 1069 A 45 GLU H A 45 GLU HB2 1.0 0.0 3.68 1230 1069 A 45 GLU H A 45 GLU HB3 1.0 0.0 3.68 1231 1070 A 45 GLU H A 45 GLU HG3 1.0 0.0 4.51 1232 1070 A 45 GLU H A 45 GLU HG2 1.0 0.0 4.51 1233 1071 A 45 GLU HA A 48 LEU HB2 1.0 0.0 4.21 1234 1071 A 48 LEU HB3 A 45 GLU HA 1.0 0.0 4.21 1235 1072 A 45 GLU HB3 A 48 LEU HB2 1.0 0.0 5.04 1236 1072 A 45 GLU HB2 A 48 LEU HB2 1.0 0.0 5.04 1237 1072 A 48 LEU HB3 A 45 GLU HB2 1.0 0.0 5.04 1238 1072 A 48 LEU HB3 A 45 GLU HB3 1.0 0.0 5.04 1239 1073 A 46 ALA H A 45 GLU HG3 1.0 0.0 4.63 1240 1073 A 46 ALA H A 45 GLU HG2 1.0 0.0 4.63 1241 1074 A 46 ALA HB1 A 45 GLU HG3 1.0 0.0 4.36 1242 1074 A 46 ALA HB1 A 45 GLU HG2 1.0 0.0 4.36 1243 1075 A 47 GLU H A 45 GLU HG3 1.0 0.0 5.34 1244 1075 A 47 GLU H A 45 GLU HG2 1.0 0.0 5.34 1245 1076 A 48 LEU H A 45 GLU HG3 1.0 0.0 5.34 1246 1076 A 48 LEU H A 45 GLU HG2 1.0 0.0 5.34 1247 1077 A 46 ALA H A 48 LEU HD11 1.0 0.0 5.44 1248 1077 A 46 ALA H A 48 LEU HD21 1.0 0.0 5.44 1249 1078 A 46 ALA HA A 49 GLN HG3 1.0 0.0 4.91 1250 1078 A 46 ALA HA A 49 GLN HG2 1.0 0.0 4.91 1251 1079 A 46 ALA HB1 A 47 GLU HB2 1.0 0.0 4.85 1252 1079 A 46 ALA HB1 A 47 GLU HB3 1.0 0.0 4.85 1253 1080 A 47 GLU H A 48 LEU HD11 1.0 0.0 4.42 1254 1080 A 47 GLU H A 48 LEU HD21 1.0 0.0 4.42 1255 1081 A 47 GLU HA A 50 ASP HB3 1.0 0.0 3.66 1256 1081 A 47 GLU HA A 50 ASP HB2 1.0 0.0 3.66 1257 1082 A 47 GLU HB2 A 48 LEU HD11 1.0 0.0 5.02 1258 1082 A 47 GLU HB3 A 48 LEU HD11 1.0 0.0 5.02 1259 1082 A 48 LEU HD21 A 47 GLU HB2 1.0 0.0 5.02 1260 1082 A 48 LEU HD21 A 47 GLU HB3 1.0 0.0 5.02 1261 1083 A 47 GLU HB2 A 50 ASP HB3 1.0 0.0 4.82 1262 1083 A 50 ASP HB2 A 47 GLU HB2 1.0 0.0 4.82 1263 1083 A 47 GLU HB3 A 50 ASP HB2 1.0 0.0 4.82 1264 1083 A 47 GLU HB3 A 50 ASP HB3 1.0 0.0 4.82 1265 1084 A 48 LEU H A 48 LEU HB2 1.0 0.0 3.44 1266 1084 A 48 LEU H A 48 LEU HB3 1.0 0.0 3.44 1267 1085 A 48 LEU H A 48 LEU HD11 1.0 0.0 3.79 1268 1085 A 48 LEU H A 48 LEU HD21 1.0 0.0 3.79 1269 1086 A 48 LEU HA A 48 LEU HD11 1.0 0.0 3.29 1270 1086 A 48 LEU HA A 48 LEU HD21 1.0 0.0 3.29 1271 1087 A 49 GLN H A 48 LEU HB2 1.0 0.0 3.71 1272 1087 A 49 GLN H A 48 LEU HB3 1.0 0.0 3.71 1273 1088 A 49 GLN HB2 A 48 LEU HB2 1.0 0.0 4.55 1274 1088 A 49 GLN HB2 A 48 LEU HB3 1.0 0.0 4.55 1275 1089 A 49 GLN HB3 A 48 LEU HB2 1.0 0.0 5.34 1276 1089 A 49 GLN HB3 A 48 LEU HB3 1.0 0.0 5.34 1277 1090 A 49 GLN H A 49 GLN HG3 1.0 0.0 4.53 1278 1090 A 49 GLN H A 49 GLN HG2 1.0 0.0 4.53 1279 1091 A 49 GLN HB3 A 49 GLN HG3 1.0 0.0 2.52 1280 1091 A 49 GLN HB3 A 49 GLN HG2 1.0 0.0 2.52 1281 1092 A 49 GLN HB3 A 50 ASP HB3 1.0 0.0 4.68 1282 1092 A 49 GLN HB3 A 50 ASP HB2 1.0 0.0 4.68 1283 1093 A 50 ASP H A 49 GLN HG3 1.0 0.0 4.82 1284 1093 A 50 ASP H A 49 GLN HG2 1.0 0.0 4.82 1285 1094 A 52 ILE H A 49 GLN HG3 1.0 0.0 5.34 1286 1094 A 52 ILE H A 49 GLN HG2 1.0 0.0 5.34 1287 1095 A 52 ILE HG21 A 49 GLN HG3 1.0 0.0 5.34 1288 1095 A 52 ILE HG21 A 49 GLN HG2 1.0 0.0 5.34 1289 1096 A 52 ILE HD11 A 49 GLN HG3 1.0 0.0 5.34 1290 1096 A 52 ILE HD11 A 49 GLN HG2 1.0 0.0 5.34 1291 1097 A 53 ASN H A 49 GLN HG3 1.0 0.0 5.34 1292 1097 A 53 ASN H A 49 GLN HG2 1.0 0.0 5.34 1293 1098 A 50 ASP H A 50 ASP HB3 1.0 0.0 3.47 1294 1098 A 50 ASP H A 50 ASP HB2 1.0 0.0 3.47 1295 1099 A 50 ASP HB3 A 51 MET HG2 1.0 0.0 3.71 1296 1099 A 50 ASP HB2 A 51 MET HG2 1.0 0.0 3.71 1297 1099 A 51 MET HG3 A 50 ASP HB3 1.0 0.0 3.71 1298 1099 A 50 ASP HB2 A 51 MET HG3 1.0 0.0 3.71 1299 1100 A 51 MET HE1 A 50 ASP HB3 1.0 0.0 3.82 1300 1100 A 51 MET HE1 A 50 ASP HB2 1.0 0.0 3.82 1301 1101 A 51 MET H A 51 MET HG2 1.0 0.0 4.32 1302 1101 A 51 MET H A 51 MET HG3 1.0 0.0 4.32 1303 1102 A 51 MET HE1 A 51 MET HB2 1.0 0.0 4.07 1304 1102 A 51 MET HE1 A 51 MET HB3 1.0 0.0 4.07 1305 1103 A 52 ILE H A 55 VAL HG21 1.0 0.0 5.44 1306 1103 A 52 ILE H A 55 VAL HG11 1.0 0.0 5.44 1307 1104 A 52 ILE HA A 55 VAL HG21 1.0 0.0 4.35 1308 1104 A 52 ILE HA A 55 VAL HG11 1.0 0.0 4.35 1309 1105 A 52 ILE HA A 63 ILE HG13 1.0 0.0 4.27 1310 1105 A 52 ILE HA A 63 ILE HG12 1.0 0.0 4.27 1311 1106 A 52 ILE HB A 63 ILE HG13 1.0 0.0 5.02 1312 1106 A 52 ILE HB A 63 ILE HG12 1.0 0.0 5.02 1313 1107 A 52 ILE HG21 A 56 ASP HB2 1.0 0.0 3.43 1314 1107 A 52 ILE HG21 A 56 ASP HB3 1.0 0.0 3.43 1315 1108 A 52 ILE HG21 A 63 ILE HG13 1.0 0.0 3.15 1316 1108 A 52 ILE HG21 A 63 ILE HG12 1.0 0.0 3.15 1317 1109 A 52 ILE HG12 A 63 ILE HG13 1.0 0.0 3.44 1318 1109 A 52 ILE HG12 A 63 ILE HG12 1.0 0.0 3.44 1319 1110 A 52 ILE HD11 A 61 GLY HA2 1.0 0.0 5.34 1320 1110 A 52 ILE HD11 A 61 GLY HA3 1.0 0.0 5.34 1321 1111 A 52 ILE HD11 A 63 ILE HG13 1.0 0.0 3.93 1322 1111 A 52 ILE HD11 A 63 ILE HG12 1.0 0.0 3.93 1323 1112 A 53 ASN H A 56 ASP HB2 1.0 0.0 5.34 1324 1112 A 53 ASN H A 56 ASP HB3 1.0 0.0 5.34 1325 1113 A 54 GLU H A 55 VAL HG21 1.0 0.0 4.53 1326 1113 A 54 GLU H A 55 VAL HG11 1.0 0.0 4.53 1327 1114 A 55 VAL H A 55 VAL HG21 1.0 0.0 3.64 1328 1114 A 55 VAL H A 55 VAL HG11 1.0 0.0 3.64 1329 1115 A 56 ASP H A 55 VAL HG21 1.0 0.0 3.88 1330 1115 A 56 ASP H A 55 VAL HG11 1.0 0.0 3.88 1331 1116 A 55 VAL HG21 A 56 ASP HB2 1.0 0.0 5.28 1332 1116 A 55 VAL HG11 A 56 ASP HB2 1.0 0.0 5.28 1333 1116 A 56 ASP HB3 A 55 VAL HG21 1.0 0.0 5.28 1334 1116 A 55 VAL HG11 A 56 ASP HB3 1.0 0.0 5.28 1335 1117 A 63 ILE HG21 A 55 VAL HG21 1.0 0.0 3.61 1336 1117 A 63 ILE HG21 A 55 VAL HG11 1.0 0.0 3.61 1337 1118 A 55 VAL HG11 A 63 ILE HG13 1.0 0.0 5.13 1338 1118 A 55 VAL HG21 A 63 ILE HG13 1.0 0.0 5.13 1339 1118 A 63 ILE HG12 A 55 VAL HG21 1.0 0.0 5.13 1340 1118 A 55 VAL HG11 A 63 ILE HG12 1.0 0.0 5.13 1341 1119 A 63 ILE HD11 A 55 VAL HG21 1.0 0.0 3.51 1342 1119 A 63 ILE HD11 A 55 VAL HG11 1.0 0.0 3.51 1343 1120 A 55 VAL HG21 A 67 GLU HG3 1.0 0.0 5.28 1344 1120 A 55 VAL HG11 A 67 GLU HG3 1.0 0.0 5.28 1345 1120 A 67 GLU HG2 A 55 VAL HG21 1.0 0.0 5.28 1346 1120 A 55 VAL HG11 A 67 GLU HG2 1.0 0.0 5.28 1347 1121 A 55 VAL HG11 A 71 MET HB2 1.0 0.0 3.58 1348 1121 A 71 MET HB3 A 55 VAL HG21 1.0 0.0 3.58 1349 1121 A 55 VAL HG11 A 71 MET HB3 1.0 0.0 3.58 1350 1121 A 55 VAL HG21 A 71 MET HB2 1.0 0.0 3.58 1351 1122 A 57 ALA HB1 A 56 ASP HB2 1.0 0.0 5.34 1352 1122 A 57 ALA HB1 A 56 ASP HB3 1.0 0.0 5.34 1353 1123 A 59 GLY H A 56 ASP HB2 1.0 0.0 4.42 1354 1123 A 59 GLY H A 56 ASP HB3 1.0 0.0 4.42 1355 1124 A 60 ASN H A 56 ASP HB2 1.0 0.0 5.34 1356 1124 A 60 ASN H A 56 ASP HB3 1.0 0.0 5.34 1357 1125 A 61 GLY H A 56 ASP HB2 1.0 0.0 5.04 1358 1125 A 61 GLY H A 56 ASP HB3 1.0 0.0 5.04 1359 1126 A 62 THR H A 56 ASP HB2 1.0 0.0 4.56 1360 1126 A 62 THR H A 56 ASP HB3 1.0 0.0 4.56 1361 1127 A 63 ILE HD11 A 56 ASP HB2 1.0 0.0 3.93 1362 1127 A 63 ILE HD11 A 56 ASP HB3 1.0 0.0 3.93 1363 1128 A 57 ALA H A 58 ASP HB3 1.0 0.0 4.83 1364 1128 A 57 ALA H A 58 ASP HB2 1.0 0.0 4.83 1365 1129 A 57 ALA H A 59 GLY HA2 1.0 0.0 5.34 1366 1129 A 57 ALA H A 59 GLY HA3 1.0 0.0 5.34 1367 1130 A 57 ALA HB1 A 58 ASP HB3 1.0 0.0 4.26 1368 1130 A 57 ALA HB1 A 58 ASP HB2 1.0 0.0 4.26 1369 1131 A 59 GLY H A 58 ASP HB3 1.0 0.0 4.38 1370 1131 A 59 GLY H A 58 ASP HB2 1.0 0.0 4.38 1371 1132 A 60 ASN H A 58 ASP HB3 1.0 0.0 4.49 1372 1132 A 60 ASN H A 58 ASP HB2 1.0 0.0 4.49 1373 1133 A 60 ASN H A 59 GLY HA2 1.0 0.0 3.06 1374 1133 A 60 ASN H A 59 GLY HA3 1.0 0.0 3.06 1375 1134 A 60 ASN H A 60 ASN HB3 1.0 0.0 3.34 1376 1134 A 60 ASN H A 60 ASN HB2 1.0 0.0 3.34 1377 1135 A 60 ASN H A 61 GLY HA2 1.0 0.0 4.17 1378 1135 A 60 ASN H A 61 GLY HA3 1.0 0.0 4.17 1379 1136 A 63 ILE H A 63 ILE HG13 1.0 0.0 3.53 1380 1136 A 63 ILE H A 63 ILE HG12 1.0 0.0 3.53 1381 1137 A 63 ILE HG21 A 67 GLU HG3 1.0 0.0 4.30 1382 1137 A 63 ILE HG21 A 67 GLU HG2 1.0 0.0 4.30 1383 1138 A 63 ILE HG21 A 68 PHE HB3 1.0 0.0 3.45 1384 1138 A 63 ILE HG21 A 68 PHE HB2 1.0 0.0 3.45 1385 1139 A 64 ASP H A 63 ILE HG13 1.0 0.0 5.34 1386 1139 A 64 ASP H A 63 ILE HG12 1.0 0.0 5.34 1387 1140 A 64 ASP H A 67 GLU HB2 1.0 0.0 3.84 1388 1140 A 64 ASP H A 67 GLU HB3 1.0 0.0 3.84 1389 1141 A 64 ASP HA A 66 PRO HD2 1.0 0.0 5.35 1390 1141 A 64 ASP HA A 66 PRO HD3 1.0 0.0 5.35 1391 1142 A 64 ASP HB3 A 66 PRO HD2 1.0 0.0 4.00 1392 1142 A 64 ASP HB2 A 66 PRO HD2 1.0 0.0 4.00 1393 1142 A 66 PRO HD3 A 64 ASP HB3 1.0 0.0 4.00 1394 1142 A 64 ASP HB2 A 66 PRO HD3 1.0 0.0 4.00 1395 1143 A 65 PHE H A 65 PHE HB2 1.0 0.0 3.41 1396 1143 A 65 PHE H A 65 PHE HB3 1.0 0.0 3.41 1397 1144 A 65 PHE H A 66 PRO HD2 1.0 0.0 3.48 1398 1144 A 65 PHE H A 66 PRO HD3 1.0 0.0 3.48 1399 1145 A 65 PHE HA A 68 PHE HB3 1.0 0.0 4.49 1400 1145 A 65 PHE HA A 68 PHE HB2 1.0 0.0 4.49 1401 1146 A 65 PHE HB3 A 66 PRO HD2 1.0 0.0 3.31 1402 1146 A 65 PHE HB2 A 66 PRO HD2 1.0 0.0 3.31 1403 1146 A 66 PRO HD3 A 65 PHE HB2 1.0 0.0 3.31 1404 1146 A 66 PRO HD3 A 65 PHE HB3 1.0 0.0 3.31 1405 1147 A 65 PHE HD% A 66 PRO HD2 1.0 0.0 4.48 1406 1147 A 65 PHE HD% A 66 PRO HD3 1.0 0.0 4.48 1407 1148 A 67 GLU H A 66 PRO HB2 1.0 0.0 4.03 1408 1148 A 67 GLU H A 66 PRO HB3 1.0 0.0 4.03 1409 1149 A 69 LEU HD21 A 66 PRO HB2 1.0 0.0 4.43 1410 1149 A 69 LEU HD21 A 66 PRO HB3 1.0 0.0 4.43 1411 1150 A 67 GLU H A 66 PRO HD2 1.0 0.0 3.47 1412 1150 A 67 GLU H A 66 PRO HD3 1.0 0.0 3.47 1413 1151 A 67 GLU H A 67 GLU HB2 1.0 0.0 2.98 1414 1151 A 67 GLU H A 67 GLU HB3 1.0 0.0 2.98 1415 1152 A 67 GLU H A 68 PHE HB3 1.0 0.0 5.34 1416 1152 A 67 GLU H A 68 PHE HB2 1.0 0.0 5.34 1417 1153 A 68 PHE H A 67 GLU HB2 1.0 0.0 4.08 1418 1153 A 68 PHE H A 67 GLU HB3 1.0 0.0 4.08 1419 1154 A 68 PHE H A 67 GLU HG3 1.0 0.0 4.36 1420 1154 A 68 PHE H A 67 GLU HG2 1.0 0.0 4.36 1421 1155 A 69 LEU H A 68 PHE HB3 1.0 0.0 3.56 1422 1155 A 69 LEU H A 68 PHE HB2 1.0 0.0 3.56 1423 1156 A 71 MET HE1 A 68 PHE HB3 1.0 0.0 4.18 1424 1156 A 71 MET HE1 A 68 PHE HB2 1.0 0.0 4.18 1425 1157 A 69 LEU HA A 72 MET HG2 1.0 0.0 3.23 1426 1157 A 69 LEU HA A 72 MET HG3 1.0 0.0 3.23 1427 1158 A 70 THR HB A 71 MET HB2 1.0 0.0 5.18 1428 1158 A 70 THR HB A 71 MET HB3 1.0 0.0 5.18 1429 1159 A 70 THR HG21 A 74 ARG HG3 1.0 0.0 3.83 1430 1159 A 70 THR HG21 A 74 ARG HG2 1.0 0.0 3.83 1431 1160 A 70 THR HG21 A 74 ARG HD2 1.0 0.0 4.95 1432 1160 A 70 THR HG21 A 74 ARG HD3 1.0 0.0 4.95 1433 1161 A 71 MET H A 71 MET HB2 1.0 0.0 3.55 1434 1161 A 71 MET H A 71 MET HB3 1.0 0.0 3.55 1435 1162 A 71 MET H A 72 MET HG2 1.0 0.0 5.34 1436 1162 A 71 MET H A 72 MET HG3 1.0 0.0 5.34 1437 1163 A 71 MET HA A 74 ARG HG3 1.0 0.0 4.06 1438 1163 A 71 MET HA A 74 ARG HG2 1.0 0.0 4.06 1439 1164 A 71 MET HE1 A 71 MET HB2 1.0 0.0 3.65 1440 1164 A 71 MET HE1 A 71 MET HB3 1.0 0.0 3.65 1441 1165 A 72 MET H A 71 MET HB2 1.0 0.0 4.44 1442 1165 A 72 MET H A 71 MET HB3 1.0 0.0 4.44 1443 1166 A 71 MET HG2 A 72 MET HG2 1.0 0.0 4.82 1444 1166 A 71 MET HG2 A 72 MET HG3 1.0 0.0 4.82 1445 1167 A 72 MET H A 72 MET HG2 1.0 0.0 3.25 1446 1167 A 72 MET H A 72 MET HG3 1.0 0.0 3.25 1447 1168 A 72 MET HE1 A 72 MET HG2 1.0 0.0 3.42 1448 1168 A 72 MET HE1 A 72 MET HG3 1.0 0.0 3.42 1449 1169 A 73 ALA H A 72 MET HG2 1.0 0.0 3.23 1450 1169 A 73 ALA H A 72 MET HG3 1.0 0.0 3.23 1451 1170 A 73 ALA HA A 72 MET HG2 1.0 0.0 4.07 1452 1170 A 73 ALA HA A 72 MET HG3 1.0 0.0 4.07 1453 1171 A 73 ALA HB1 A 72 MET HG2 1.0 0.0 3.92 1454 1171 A 73 ALA HB1 A 72 MET HG3 1.0 0.0 3.92 1455 1172 A 73 ALA H A 74 ARG HG3 1.0 0.0 4.09 1456 1172 A 73 ALA H A 74 ARG HG2 1.0 0.0 4.09 1457 1173 A 73 ALA HB1 A 74 ARG HG3 1.0 0.0 3.83 1458 1173 A 73 ALA HB1 A 74 ARG HG2 1.0 0.0 3.83 1459 1174 A 73 ALA HB1 A 74 ARG HD2 1.0 0.0 5.34 1460 1174 A 73 ALA HB1 A 74 ARG HD3 1.0 0.0 5.34 1461 1175 A 74 ARG H A 74 ARG HB2 1.0 0.0 3.56 1462 1175 A 74 ARG H A 74 ARG HB3 1.0 0.0 3.56 1463 1176 A 74 ARG H A 74 ARG HG3 1.0 0.0 3.55 1464 1176 A 74 ARG H A 74 ARG HG2 1.0 0.0 3.55 1465 1177 A 74 ARG H A 74 ARG HD2 1.0 0.0 4.29 1466 1177 A 74 ARG H A 74 ARG HD3 1.0 0.0 4.29 1467 1178 A 74 ARG HA A 74 ARG HG3 1.0 0.0 3.70 1468 1178 A 74 ARG HG2 A 74 ARG HA 1.0 0.0 3.70 1469 1179 A 74 ARG HB2 A 74 ARG HD2 1.0 0.0 2.74 1470 1179 A 74 ARG HB3 A 74 ARG HD2 1.0 0.0 2.74 1471 1179 A 74 ARG HD3 A 74 ARG HB2 1.0 0.0 2.74 1472 1179 A 74 ARG HD3 A 74 ARG HB3 1.0 0.0 2.74 1473 1180 A 75 LYS H A 74 ARG HD2 1.0 0.0 5.34 1474 1180 A 75 LYS H A 74 ARG HD3 1.0 0.0 5.34 1475 1181 A 75 LYS H A 75 LYS HB2 1.0 0.0 3.14 1476 1181 A 75 LYS H A 75 LYS HB3 1.0 0.0 3.14 1477 1182 A 76 MET H A 76 MET HB2 1.0 0.0 3.42 1478 1182 A 76 MET H A 76 MET HB3 1.0 0.0 3.42 1479 1183 A 76 MET H A 76 MET HG2 1.0 0.0 4.98 1480 1183 A 76 MET H A 76 MET HG3 1.0 0.0 4.98 1481 1184 A 77 LYS H A 76 MET HB2 1.0 0.0 4.25 1482 1184 A 77 LYS H A 76 MET HB3 1.0 0.0 4.25 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 undefined _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 ASP OD2 C 1 CA CA 1.0 1.8 3.6 2 2 C 1 CA CA A 24 ASP OD1 1.0 1.8 3.6 3 3 C 1 CA CA A 24 ASP OD2 1.0 1.8 3.6 4 4 C 1 CA CA A 26 THR OG1 1.0 1.8 3.6 5 5 C 1 CA CA A 31 GLU OE2 1.0 1.8 3.6 6 6 A 62 THR O 4 1 CA CA 1.0 1.8 3.6 7 7 4 1 CA CA A 64 ASP OD1 1.0 1.8 3.6 8 8 A 22 ASP OD2 C 1 CA CA 1.0 0.0 3.0 9 9 C 1 CA CA A 24 ASP OD1 1.0 0.0 3.0 10 10 C 1 CA CA A 24 ASP OD2 1.0 0.0 3.0 11 11 C 1 CA CA A 26 THR OG1 1.0 0.0 3.0 12 12 C 1 CA CA A 31 GLU OE2 1.0 0.0 3.0 13 13 A 62 THR O 4 1 CA CA 1.0 0.0 3.0 14 14 4 1 CA CA A 64 ASP OD1 1.0 0.0 3.0 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 63 ILE H A 27 ILE O 1.0 0.0 2.1 2 2 A 27 ILE O A 63 ILE N 1.0 0.0 3.1 3 3 A 27 ILE H A 63 ILE O 1.0 0.0 2.1 4 4 A 63 ILE O A 27 ILE N 1.0 0.0 3.1 5 5 A 11 GLU H A 7 GLU O 1.0 0.0 2.1 6 6 A 7 GLU O A 11 GLU N 1.0 0.0 3.1 7 7 A 12 PHE H A 8 GLN O 1.0 0.0 2.1 8 8 A 8 GLN O A 12 PHE N 1.0 0.0 3.1 9 9 A 13 LYS H A 9 ILE O 1.0 0.0 2.1 10 10 A 9 ILE O A 13 LYS N 1.0 0.0 3.1 11 11 A 14 GLU H A 10 ALA O 1.0 0.0 2.1 12 12 A 10 ALA O A 14 GLU N 1.0 0.0 3.1 13 13 A 15 ALA H A 11 GLU O 1.0 0.0 2.1 14 14 A 11 GLU O A 15 ALA N 1.0 0.0 3.1 15 15 A 16 PHE H A 12 PHE O 1.0 0.0 2.1 16 16 A 12 PHE O A 16 PHE N 1.0 0.0 3.1 17 17 A 17 SER H A 13 LYS O 1.0 0.0 2.1 18 18 A 13 LYS O A 17 SER N 1.0 0.0 3.1 19 19 A 18 LEU H A 14 GLU O 1.0 0.0 2.1 20 20 A 14 GLU O A 18 LEU N 1.0 0.0 3.1 21 21 A 19 PHE H A 15 ALA O 1.0 0.0 2.1 22 22 A 15 ALA O A 19 PHE N 1.0 0.0 3.1 23 23 A 33 GLY H A 29 THR O 1.0 0.0 2.1 24 24 A 29 THR O A 33 GLY N 1.0 0.0 3.1 25 25 A 34 THR H A 30 LYS O 1.0 0.0 2.1 26 26 A 30 LYS O A 34 THR N 1.0 0.0 3.1 27 27 A 35 VAL H A 31 GLU O 1.0 0.0 2.1 28 28 A 31 GLU O A 35 VAL N 1.0 0.0 3.1 29 29 A 36 MET H A 32 LEU O 1.0 0.0 2.1 30 30 A 32 LEU O A 36 MET N 1.0 0.0 3.1 31 31 A 37 ARG H A 33 GLY O 1.0 0.0 2.1 32 32 A 33 GLY O A 37 ARG N 1.0 0.0 3.1 33 33 A 38 SER H A 34 THR O 1.0 0.0 2.1 34 34 A 34 THR O A 38 SER N 1.0 0.0 3.1 35 35 A 39 LEU H A 35 VAL O 1.0 0.0 2.1 36 36 A 35 VAL O A 39 LEU N 1.0 0.0 3.1 37 37 A 49 GLN H A 45 GLU O 1.0 0.0 2.1 38 38 A 45 GLU O A 49 GLN N 1.0 0.0 3.1 39 39 A 50 ASP H A 46 ALA O 1.0 0.0 2.1 40 40 A 46 ALA O A 50 ASP N 1.0 0.0 3.1 41 41 A 51 MET H A 47 GLU O 1.0 0.0 2.1 42 42 A 47 GLU O A 51 MET N 1.0 0.0 3.1 43 43 A 52 ILE H A 48 LEU O 1.0 0.0 2.1 44 44 A 48 LEU O A 52 ILE N 1.0 0.0 3.1 45 45 A 53 ASN H A 49 GLN O 1.0 0.0 2.1 46 46 A 49 GLN O A 53 ASN N 1.0 0.0 3.1 47 47 A 69 LEU H A 65 PHE O 1.0 0.0 2.1 48 48 A 65 PHE O A 69 LEU N 1.0 0.0 3.1 49 49 A 70 THR H A 66 PRO O 1.0 0.0 2.1 50 50 A 66 PRO O A 70 THR N 1.0 0.0 3.1 51 51 A 71 MET H A 67 GLU O 1.0 0.0 2.1 52 52 A 67 GLU O A 71 MET N 1.0 0.0 3.1 53 53 A 72 MET H A 68 PHE O 1.0 0.0 2.1 54 54 A 68 PHE O A 72 MET N 1.0 0.0 3.1 55 55 A 63 ILE H A 27 ILE O 1.0 1.7 3.4 56 56 A 27 ILE O A 63 ILE N 1.0 2.7 5.4 57 57 A 27 ILE H A 63 ILE O 1.0 1.7 3.4 58 58 A 63 ILE O A 27 ILE N 1.0 2.7 5.4 59 59 A 11 GLU H A 7 GLU O 1.0 1.7 3.4 60 60 A 7 GLU O A 11 GLU N 1.0 2.7 5.4 61 61 A 12 PHE H A 8 GLN O 1.0 1.7 3.4 62 62 A 8 GLN O A 12 PHE N 1.0 2.7 5.4 63 63 A 13 LYS H A 9 ILE O 1.0 1.7 3.4 64 64 A 9 ILE O A 13 LYS N 1.0 2.7 5.4 65 65 A 14 GLU H A 10 ALA O 1.0 1.7 3.4 66 66 A 10 ALA O A 14 GLU N 1.0 2.7 5.4 67 67 A 15 ALA H A 11 GLU O 1.0 1.7 3.4 68 68 A 11 GLU O A 15 ALA N 1.0 2.7 5.4 69 69 A 16 PHE H A 12 PHE O 1.0 1.7 3.4 70 70 A 12 PHE O A 16 PHE N 1.0 2.7 5.4 71 71 A 17 SER H A 13 LYS O 1.0 1.7 3.4 72 72 A 13 LYS O A 17 SER N 1.0 2.7 5.4 73 73 A 18 LEU H A 14 GLU O 1.0 1.7 3.4 74 74 A 14 GLU O A 18 LEU N 1.0 2.7 5.4 75 75 A 19 PHE H A 15 ALA O 1.0 1.7 3.4 76 76 A 15 ALA O A 19 PHE N 1.0 2.7 5.4 77 77 A 33 GLY H A 29 THR O 1.0 1.7 3.4 78 78 A 29 THR O A 33 GLY N 1.0 2.7 5.4 79 79 A 34 THR H A 30 LYS O 1.0 1.7 3.4 80 80 A 30 LYS O A 34 THR N 1.0 2.7 5.4 81 81 A 35 VAL H A 31 GLU O 1.0 1.7 3.4 82 82 A 31 GLU O A 35 VAL N 1.0 2.7 5.4 83 83 A 36 MET H A 32 LEU O 1.0 1.7 3.4 84 84 A 32 LEU O A 36 MET N 1.0 2.7 5.4 85 85 A 37 ARG H A 33 GLY O 1.0 1.7 3.4 86 86 A 33 GLY O A 37 ARG N 1.0 2.7 5.4 87 87 A 38 SER H A 34 THR O 1.0 1.7 3.4 88 88 A 34 THR O A 38 SER N 1.0 2.7 5.4 89 89 A 39 LEU H A 35 VAL O 1.0 1.7 3.4 90 90 A 35 VAL O A 39 LEU N 1.0 2.7 5.4 91 91 A 49 GLN H A 45 GLU O 1.0 1.7 3.4 92 92 A 45 GLU O A 49 GLN N 1.0 2.7 5.4 93 93 A 50 ASP H A 46 ALA O 1.0 1.7 3.4 94 94 A 46 ALA O A 50 ASP N 1.0 2.7 5.4 95 95 A 51 MET H A 47 GLU O 1.0 1.7 3.4 96 96 A 47 GLU O A 51 MET N 1.0 2.7 5.4 97 97 A 52 ILE H A 48 LEU O 1.0 1.7 3.4 98 98 A 48 LEU O A 52 ILE N 1.0 2.7 5.4 99 99 A 53 ASN H A 49 GLN O 1.0 1.7 3.4 100 100 A 49 GLN O A 53 ASN N 1.0 2.7 5.4 101 101 A 69 LEU H A 65 PHE O 1.0 1.7 3.4 102 102 A 65 PHE O A 69 LEU N 1.0 2.7 5.4 103 103 A 70 THR H A 66 PRO O 1.0 1.7 3.4 104 104 A 66 PRO O A 70 THR N 1.0 2.7 5.4 105 105 A 71 MET H A 67 GLU O 1.0 1.7 3.4 106 106 A 67 GLU O A 71 MET N 1.0 2.7 5.4 107 107 A 72 MET H A 68 PHE O 1.0 1.7 3.4 108 108 A 68 PHE O A 72 MET N 1.0 2.7 5.4 stop_ save_ save_CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 ASP C A 3 GLN N A 3 GLN CA A 3 GLN C 1.0 -163.4 -44.2 PHI 2 2 A 3 GLN N A 3 GLN CA A 3 GLN C A 4 LEU N 1.0 80.5 185.9 PSI 3 3 A 5 THR C A 6 GLU N A 6 GLU CA A 6 GLU C 1.0 -71.1 -51.1 PHI 4 4 A 6 GLU N A 6 GLU CA A 6 GLU C A 7 GLU N 1.0 -51.4 -28.0 PSI 5 5 A 6 GLU C A 7 GLU N A 7 GLU CA A 7 GLU C 1.0 -75.8 -55.8 PHI 6 6 A 7 GLU N A 7 GLU CA A 7 GLU C A 8 GLN N 1.0 -50.7 -30.3 PSI 7 7 A 7 GLU C A 8 GLN N A 8 GLN CA A 8 GLN C 1.0 -79.3 -56.3 PHI 8 8 A 8 GLN N A 8 GLN CA A 8 GLN C A 9 ILE N 1.0 -55.6 -26.4 PSI 9 9 A 8 GLN C A 9 ILE N A 9 ILE CA A 9 ILE C 1.0 -76.3 -54.5 PHI 10 10 A 9 ILE N A 9 ILE CA A 9 ILE C A 10 ALA N 1.0 -50.9 -28.3 PSI 11 11 A 9 ILE C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -70.7 -50.7 PHI 12 12 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 GLU N 1.0 -52.0 -32.0 PSI 13 13 A 10 ALA C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -73.4 -53.4 PHI 14 14 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 PHE N 1.0 -56.3 -33.5 PSI 15 15 A 11 GLU C A 12 PHE N A 12 PHE CA A 12 PHE C 1.0 -81.4 -53.4 PHI 16 16 A 12 PHE N A 12 PHE CA A 12 PHE C A 13 LYS N 1.0 -42.7 -22.7 PSI 17 17 A 12 PHE C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -78.3 -56.3 PHI 18 18 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 GLU N 1.0 -55.7 -19.9 PSI 19 19 A 13 LYS C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -75.9 -55.9 PHI 20 20 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 ALA N 1.0 -51.5 -20.5 PSI 21 21 A 14 GLU C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -74.8 -54.8 PHI 22 22 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 PHE N 1.0 -52.6 -32.6 PSI 23 23 A 15 ALA C A 16 PHE N A 16 PHE CA A 16 PHE C 1.0 -71.6 -51.6 PHI 24 24 A 16 PHE N A 16 PHE CA A 16 PHE C A 17 SER N 1.0 -50.3 -30.3 PSI 25 25 A 16 PHE C A 17 SER N A 17 SER CA A 17 SER C 1.0 -73.7 -53.9 PHI 26 26 A 17 SER N A 17 SER CA A 17 SER C A 18 LEU N 1.0 -49.7 -14.7 PSI 27 27 A 18 LEU C A 19 PHE N A 19 PHE CA A 19 PHE C 1.0 -118.1 -52.9 PHI 28 28 A 19 PHE N A 19 PHE CA A 19 PHE C A 20 ASP N 1.0 -75.0 13.6 PSI 29 29 A 19 PHE C A 20 ASP N A 20 ASP CA A 20 ASP C 1.0 -111.2 -51.4 PHI 30 30 A 20 ASP N A 20 ASP CA A 20 ASP C A 21 LYS N 1.0 36.5 150.9 PSI 31 31 A 20 ASP C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -75.4 -35.2 PHI 32 32 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 ASP N 1.0 -54.6 -24.2 PSI 33 33 A 21 LYS C A 22 ASP N A 22 ASP CA A 22 ASP C 1.0 -115.9 -70.1 PHI 34 34 A 22 ASP N A 22 ASP CA A 22 ASP C A 23 GLY N 1.0 -8.2 26.2 PSI 35 35 A 22 ASP C A 23 GLY N A 23 GLY CA A 23 GLY C 1.0 29.2 70.6 PHI 36 36 A 23 GLY N A 23 GLY CA A 23 GLY C A 24 ASP N 1.0 10.0 58.8 PSI 37 37 A 23 GLY C A 24 ASP N A 24 ASP CA A 24 ASP C 1.0 -112.7 -71.5 PHI 38 38 A 24 ASP N A 24 ASP CA A 24 ASP C A 25 GLY N 1.0 -10.1 18.5 PSI 39 39 A 28 THR C A 29 THR N A 29 THR CA A 29 THR C 1.0 -72.2 -52.2 PHI 40 40 A 29 THR N A 29 THR CA A 29 THR C A 30 LYS N 1.0 -54.0 -31.0 PSI 41 41 A 29 THR C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -74.7 -54.7 PHI 42 42 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 GLU N 1.0 -49.4 -29.4 PSI 43 43 A 30 LYS C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -77.7 -57.7 PHI 44 44 A 31 GLU N A 31 GLU CA A 31 GLU C A 32 LEU N 1.0 -53.9 -33.5 PSI 45 45 A 31 GLU C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -73.7 -53.7 PHI 46 46 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 GLY N 1.0 -54.2 -28.0 PSI 47 47 A 32 LEU C A 33 GLY N A 33 GLY CA A 33 GLY C 1.0 -73.2 -53.2 PHI 48 48 A 33 GLY N A 33 GLY CA A 33 GLY C A 34 THR N 1.0 -53.1 -27.3 PSI 49 49 A 33 GLY C A 34 THR N A 34 THR CA A 34 THR C 1.0 -75.2 -55.2 PHI 50 50 A 34 THR N A 34 THR CA A 34 THR C A 35 VAL N 1.0 -55.0 -28.2 PSI 51 51 A 34 THR C A 35 VAL N A 35 VAL CA A 35 VAL C 1.0 -76.5 -47.3 PHI 52 52 A 35 VAL N A 35 VAL CA A 35 VAL C A 36 MET N 1.0 -52.9 -32.9 PSI 53 53 A 35 VAL C A 36 MET N A 36 MET CA A 36 MET C 1.0 -76.6 -53.4 PHI 54 54 A 36 MET N A 36 MET CA A 36 MET C A 37 ARG N 1.0 -53.2 -25.4 PSI 55 55 A 36 MET C A 37 ARG N A 37 ARG CA A 37 ARG C 1.0 -81.2 -48.2 PHI 56 56 A 37 ARG N A 37 ARG CA A 37 ARG C A 38 SER N 1.0 -64.0 -9.4 PSI 57 57 A 37 ARG C A 38 SER N A 38 SER CA A 38 SER C 1.0 -82.0 -54.4 PHI 58 58 A 38 SER N A 38 SER CA A 38 SER C A 39 LEU N 1.0 -58.2 4.0 PSI 59 59 A 38 SER C A 39 LEU N A 39 LEU CA A 39 LEU C 1.0 -100.1 -69.1 PHI 60 60 A 39 LEU N A 39 LEU CA A 39 LEU C A 40 GLY N 1.0 -31.0 37.0 PSI 61 61 A 39 LEU C A 40 GLY N A 40 GLY CA A 40 GLY C 1.0 58.9 116.7 PHI 62 62 A 40 GLY N A 40 GLY CA A 40 GLY C A 41 GLN N 1.0 -13.2 41.6 PSI 63 63 A 41 GLN C A 42 ASN N A 42 ASN CA A 42 ASN C 1.0 -154.4 -41.4 PHI 64 64 A 42 ASN N A 42 ASN CA A 42 ASN C A 43 PRO N 1.0 58.8 194.8 PSI 65 65 A 44 THR C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -72.4 -51.4 PHI 66 66 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 ALA N 1.0 -52.3 -22.9 PSI 67 67 A 45 GLU C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -77.8 -52.2 PHI 68 68 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 GLU N 1.0 -51.9 -29.3 PSI 69 69 A 46 ALA C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -74.7 -50.7 PHI 70 70 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 LEU N 1.0 -66.2 -14.8 PSI 71 71 A 47 GLU C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -79.4 -47.2 PHI 72 72 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 GLN N 1.0 -48.3 -28.3 PSI 73 73 A 48 LEU C A 49 GLN N A 49 GLN CA A 49 GLN C 1.0 -75.5 -55.5 PHI 74 74 A 49 GLN N A 49 GLN CA A 49 GLN C A 50 ASP N 1.0 -56.5 -22.7 PSI 75 75 A 49 GLN C A 50 ASP N A 50 ASP CA A 50 ASP C 1.0 -80.5 -44.5 PHI 76 76 A 50 ASP N A 50 ASP CA A 50 ASP C A 51 MET N 1.0 -58.9 -27.3 PSI 77 77 A 50 ASP C A 51 MET N A 51 MET CA A 51 MET C 1.0 -80.9 -50.1 PHI 78 78 A 51 MET N A 51 MET CA A 51 MET C A 52 ILE N 1.0 -51.5 -25.9 PSI 79 79 A 51 MET C A 52 ILE N A 52 ILE CA A 52 ILE C 1.0 -75.3 -55.3 PHI 80 80 A 52 ILE N A 52 ILE CA A 52 ILE C A 53 ASN N 1.0 -51.6 -27.0 PSI 81 81 A 52 ILE C A 53 ASN N A 53 ASN CA A 53 ASN C 1.0 -74.6 -49.6 PHI 82 82 A 53 ASN N A 53 ASN CA A 53 ASN C A 54 GLU N 1.0 -51.4 -26.2 PSI 83 83 A 54 GLU C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -130.5 -61.7 PHI 84 84 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 ASP N 1.0 -62.4 29.8 PSI 85 85 A 57 ALA C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -124.6 -79.0 PHI 86 86 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 GLY N 1.0 -41.5 38.5 PSI 87 87 A 58 ASP C A 59 GLY N A 59 GLY CA A 59 GLY C 1.0 29.2 70.6 PHI 88 88 A 59 GLY N A 59 GLY CA A 59 GLY C A 60 ASN N 1.0 10.0 58.8 PSI 89 89 A 59 GLY C A 60 ASN N A 60 ASN CA A 60 ASN C 1.0 -112.7 -71.5 PHI 90 90 A 60 ASN N A 60 ASN CA A 60 ASN C A 61 GLY N 1.0 -10.1 18.5 PSI 91 91 A 62 THR C A 63 ILE N A 63 ILE CA A 63 ILE C 1.0 -137.0 -88.4 PHI 92 92 A 63 ILE N A 63 ILE CA A 63 ILE C A 64 ASP N 1.0 104.5 164.1 PSI 93 93 A 64 ASP C A 65 PHE N A 65 PHE CA A 65 PHE C 1.0 -66.5 -44.3 PHI 94 94 A 65 PHE N A 65 PHE CA A 65 PHE C A 66 PRO N 1.0 -72.3 -23.9 PSI 95 95 A 66 PRO C A 67 GLU N A 67 GLU CA A 67 GLU C 1.0 -78.0 -54.2 PHI 96 96 A 67 GLU N A 67 GLU CA A 67 GLU C A 68 PHE N 1.0 -50.6 -30.4 PSI 97 97 A 67 GLU C A 68 PHE N A 68 PHE CA A 68 PHE C 1.0 -74.6 -54.6 PHI 98 98 A 68 PHE N A 68 PHE CA A 68 PHE C A 69 LEU N 1.0 -55.1 -34.7 PSI 99 99 A 68 PHE C A 69 LEU N A 69 LEU CA A 69 LEU C 1.0 -77.5 -45.5 PHI 100 100 A 69 LEU N A 69 LEU CA A 69 LEU C A 70 THR N 1.0 -56.4 -28.2 PSI 101 101 A 69 LEU C A 70 THR N A 70 THR CA A 70 THR C 1.0 -74.2 -54.2 PHI 102 102 A 70 THR N A 70 THR CA A 70 THR C A 71 MET N 1.0 -55.7 -30.5 PSI 103 103 A 70 THR C A 71 MET N A 71 MET CA A 71 MET C 1.0 -73.8 -48.2 PHI 104 104 A 71 MET N A 71 MET CA A 71 MET C A 72 MET N 1.0 -51.8 -31.8 PSI 105 105 A 71 MET C A 72 MET N A 72 MET CA A 72 MET C 1.0 -74.6 -54.6 PHI 106 106 A 72 MET N A 72 MET CA A 72 MET C A 73 ALA N 1.0 -50.6 -25.4 PSI 107 107 A 73 ALA C A 74 ARG N A 74 ARG CA A 74 ARG C 1.0 -99.6 -55.0 PHI 108 108 A 74 ARG N A 74 ARG CA A 74 ARG C A 75 LYS N 1.0 -50.6 9.4 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_6 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_6 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 3 GLN N A 3 GLN H 1.0 . . . 2 2 A 4 LEU N A 4 LEU H 1.0 . . . 3 3 A 5 THR N A 5 THR H 1.0 . . . 4 4 A 6 GLU N A 6 GLU H 1.0 . . . 5 5 A 7 GLU N A 7 GLU H 1.0 . . . 6 6 A 8 GLN N A 8 GLN H 1.0 . . . 7 7 A 9 ILE N A 9 ILE H 1.0 . . . 8 8 A 10 ALA N A 10 ALA H 1.0 . . . 9 9 A 11 GLU N A 11 GLU H 1.0 . . . 10 10 A 13 LYS N A 13 LYS H 1.0 . . . 11 11 A 15 ALA N A 15 ALA H 1.0 . . . 12 12 A 18 LEU N A 18 LEU H 1.0 . . . 13 13 A 21 LYS N A 21 LYS H 1.0 . . . 14 14 A 22 ASP N A 22 ASP H 1.0 . . . 15 15 A 23 GLY N A 23 GLY H 1.0 . . . 16 16 A 24 ASP N A 24 ASP H 1.0 . . . 17 17 A 25 GLY N A 25 GLY H 1.0 . . . 18 18 A 26 THR N A 26 THR H 1.0 . . . 19 19 A 27 ILE N A 27 ILE H 1.0 . . . 20 20 A 28 THR N A 28 THR H 1.0 . . . 21 21 A 29 THR N A 29 THR H 1.0 . . . 22 22 A 30 LYS N A 30 LYS H 1.0 . . . 23 23 A 32 LEU N A 32 LEU H 1.0 . . . 24 24 A 33 GLY N A 33 GLY H 1.0 . . . 25 25 A 34 THR N A 34 THR H 1.0 . . . 26 26 A 35 VAL N A 35 VAL H 1.0 . . . 27 27 A 36 MET N A 36 MET H 1.0 . . . 28 28 A 37 ARG N A 37 ARG H 1.0 . . . 29 29 A 38 SER N A 38 SER H 1.0 . . . 30 30 A 39 LEU N A 39 LEU H 1.0 . . . 31 31 A 40 GLY N A 40 GLY H 1.0 . . . 32 32 A 41 GLN N A 41 GLN H 1.0 . . . 33 33 A 42 ASN N A 42 ASN H 1.0 . . . 34 34 A 44 THR N A 44 THR H 1.0 . . . 35 35 A 45 GLU N A 45 GLU H 1.0 . . . 36 36 A 46 ALA N A 46 ALA H 1.0 . . . 37 37 A 47 GLU N A 47 GLU H 1.0 . . . 38 38 A 48 LEU N A 48 LEU H 1.0 . . . 39 39 A 49 GLN N A 49 GLN H 1.0 . . . 40 40 A 50 ASP N A 50 ASP H 1.0 . . . 41 41 A 51 MET N A 51 MET H 1.0 . . . 42 42 A 57 ALA N A 57 ALA H 1.0 . . . 43 43 A 58 ASP N A 58 ASP H 1.0 . . . 44 44 A 59 GLY N A 59 GLY H 1.0 . . . 45 45 A 60 ASN N A 60 ASN H 1.0 . . . 46 46 A 61 GLY N A 61 GLY H 1.0 . . . 47 47 A 62 THR N A 62 THR H 1.0 . . . 48 48 A 63 ILE N A 63 ILE H 1.0 . . . 49 49 A 64 ASP N A 64 ASP H 1.0 . . . 50 50 A 65 PHE N A 65 PHE H 1.0 . . . 51 51 A 67 GLU N A 67 GLU H 1.0 . . . 52 52 A 70 THR N A 70 THR H 1.0 . . . 53 53 A 71 MET N A 71 MET H 1.0 . . . 54 54 A 72 MET N A 72 MET H 1.0 . . . 55 55 A 74 ARG N A 74 ARG H 1.0 . . . 56 56 A 75 LYS N A 75 LYS H 1.0 . . . 57 57 A 76 MET N A 76 MET H 1.0 . . . 58 58 A 77 LYS N A 77 LYS H 1.0 . . . stop_ save_