data_nef_c18692_2lxr save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 LYS middle . . 3 A 3 ARG middle . . 4 A 4 PHE middle . . 5 A 5 ASP middle . . 6 A 6 LEU middle . . 7 A 7 ARG middle . . 8 A 8 PRO middle . false 9 A 9 LEU middle . . 10 A 10 LYS middle . . 11 A 11 ALA middle . . 12 A 12 GLY middle . false 13 A 13 ILE middle . . 14 A 14 PHE middle . . 15 A 15 GLU middle . . 16 A 16 ARG middle . . 17 A 17 LEU middle . . 18 A 18 GLU middle . . 19 A 19 GLU middle . . 20 A 20 LEU middle . . 21 A 21 ILE middle . . 22 A 22 GLU middle . . 23 A 23 LYS middle . . 24 A 24 GLU middle . . 25 A 25 MET middle . . 26 A 26 GLN middle . . 27 A 27 PRO middle . false 28 A 28 ASN middle . . 29 A 29 GLU middle . . 30 A 30 VAL middle . . 31 A 31 ALA middle . . 32 A 32 ILE middle . . 33 A 33 PHE middle . . 34 A 34 MET middle . . 35 A 35 PHE middle . . 36 A 36 GLU middle . . 37 A 37 VAL middle . . 38 A 38 GLY middle . false 39 A 39 ASP middle . . 40 A 40 PHE middle . . 41 A 41 SER middle . . 42 A 42 ASN middle . . 43 A 43 ILE middle . . 44 A 44 PRO middle . false 45 A 45 LYS middle . . 46 A 46 SER middle . . 47 A 47 ALA middle . . 48 A 48 GLU middle . . 49 A 49 PHE middle . . 50 A 50 ILE middle . . 51 A 51 GLN middle . . 52 A 52 SER middle . . 53 A 53 LYS middle . . 54 A 54 GLY middle . false 55 A 55 HIS middle . . 56 A 56 GLU middle . . 57 A 57 LEU middle . . 58 A 58 LEU middle . . 59 A 59 ASN middle . . 60 A 60 SER middle . . 61 A 61 LEU middle . . 62 A 62 ARG middle . . 63 A 63 PHE middle . . 64 A 64 ASN middle . . 65 A 65 GLN middle . . 66 A 66 ALA middle . . 67 A 67 ASP middle . . 68 A 68 TRP middle . . 69 A 69 THR middle . . 70 A 70 ILE middle . . 71 A 71 VAL middle . . 72 A 72 VAL middle . . 73 A 73 ARG middle . . 74 A 74 LYS middle . . 75 A 75 LYS middle . . 76 A 76 ALA end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.2000 . A 1 MET HB2 H 1 2.0300 . A 1 MET HB3 H 1 2.1670 . A 1 MET HG2 H 1 2.5100 . A 1 MET HG3 H 1 2.5100 . A 1 MET CA C 13 55.0180 . A 1 MET CB C 13 30.3290 . A 1 MET CG C 13 33.7460 . A 2 LYS H H 1 9.1670 . A 2 LYS HA H 1 3.9540 . A 2 LYS HB2 H 1 1.0710 . A 2 LYS HB3 H 1 1.4370 . A 2 LYS HD2 H 1 1.4900 . A 2 LYS HD3 H 1 1.6800 . A 2 LYS HE2 H 1 3.0300 . A 2 LYS HE3 H 1 3.0300 . A 2 LYS HG2 H 1 1.6000 . A 2 LYS HG3 H 1 1.7500 . A 2 LYS C C 13 175.8260 . A 2 LYS CA C 13 57.4750 . A 2 LYS CB C 13 34.0090 . A 2 LYS CD C 13 25.7270 . A 2 LYS CE C 13 42.2350 . A 2 LYS CG C 13 29.7250 . A 2 LYS N N 15 127.3990 . A 3 ARG H H 1 7.7050 . A 3 ARG HA H 1 4.7970 . A 3 ARG HB2 H 1 1.3890 . A 3 ARG HB3 H 1 1.4540 . A 3 ARG HD2 H 1 3.0500 . A 3 ARG HD3 H 1 3.0500 . A 3 ARG HG2 H 1 1.1300 . A 3 ARG HG3 H 1 1.2750 . A 3 ARG C C 13 176.7190 . A 3 ARG CA C 13 54.0820 . A 3 ARG CB C 13 32.8160 . A 3 ARG CD C 13 43.5880 . A 3 ARG CG C 13 27.2670 . A 3 ARG N N 15 121.2070 . A 4 PHE H H 1 8.9130 . A 4 PHE HA H 1 4.7290 . A 4 PHE HB2 H 1 2.5190 . A 4 PHE HB3 H 1 2.7380 . A 4 PHE HD2 H 1 6.4230 . A 4 PHE HEy H 1 6.5346 . A 4 PHE C C 13 176.1800 . A 4 PHE CA C 13 56.5840 . A 4 PHE CB C 13 41.7580 . A 4 PHE N N 15 124.3800 . A 5 ASP H H 1 9.1130 . A 5 ASP HA H 1 4.3900 . A 5 ASP HB2 H 1 2.8600 . A 5 ASP HB3 H 1 3.0600 . A 5 ASP C C 13 177.5240 . A 5 ASP CA C 13 53.3440 . A 5 ASP CB C 13 41.0430 . A 5 ASP N N 15 123.3310 . A 6 LEU H H 1 8.3050 . A 6 LEU HA H 1 4.3040 . A 6 LEU HB2 H 1 1.4870 . A 6 LEU HB3 H 1 1.5550 . A 6 LEU HD1% H 1 0.8680 . A 6 LEU HD2% H 1 0.8680 . A 6 LEU HG H 1 1.5610 . A 6 LEU CA C 13 55.2600 . A 6 LEU CB C 13 42.6800 . A 6 LEU CD1 C 13 24.7800 . A 6 LEU CD2 C 13 23.6600 . A 6 LEU CG C 13 26.9300 . A 6 LEU N N 15 122.5400 . A 7 ARG H H 1 8.2930 . A 7 ARG HA H 1 4.1560 . A 7 ARG HBx H 1 1.7700 . A 7 ARG HBy H 1 1.7800 . A 7 ARG HDx H 1 3.0024 . A 7 ARG HDy H 1 3.2234 . A 7 ARG HGx H 1 1.6400 . A 7 ARG HGy H 1 1.6600 . A 7 ARG C C 13 177.6640 . A 7 ARG CA C 13 56.4631 . A 7 ARG CB C 13 29.3150 . A 7 ARG CD C 13 45.1130 . A 7 ARG CG C 13 28.6600 . A 7 ARG N N 15 121.7150 . A 8 PRO HA H 1 4.3650 . A 8 PRO HB2 H 1 2.4380 . A 8 PRO HB3 H 1 1.7010 . A 8 PRO HDx H 1 3.5564 . A 8 PRO HG2 H 1 1.9400 . A 8 PRO HG3 H 1 2.0400 . A 8 PRO C C 13 178.8860 . A 8 PRO CA C 13 65.1930 . A 8 PRO CB C 13 31.5660 . A 8 PRO CD C 13 51.0610 . A 8 PRO CG C 13 28.1650 . A 9 LEU H H 1 7.3100 . A 9 LEU HA H 1 4.1750 . A 9 LEU HB2 H 1 1.7540 . A 9 LEU HB3 H 1 1.6020 . A 9 LEU HD1% H 1 1.0200 . A 9 LEU HD2% H 1 0.9000 . A 9 LEU HG H 1 1.4370 . A 9 LEU C C 13 178.8970 . A 9 LEU CA C 13 54.8780 . A 9 LEU CB C 13 41.2220 . A 9 LEU CD1 C 13 23.1560 . A 9 LEU CD2 C 13 23.1560 . A 9 LEU CG C 13 26.9210 . A 9 LEU N N 15 114.1070 . A 10 LYS H H 1 8.1320 . A 10 LYS HA H 1 3.8230 . A 10 LYS HB2 H 1 1.6500 . A 10 LYS HB3 H 1 1.8000 . A 10 LYS HDx H 1 1.7891 . A 10 LYS HG2 H 1 0.3900 . A 10 LYS HG3 H 1 0.6000 . A 10 LYS C C 13 178.8050 . A 10 LYS CA C 13 57.6930 . A 10 LYS CB C 13 34.1245 . A 10 LYS CD C 13 27.1145 . A 10 LYS CG C 13 23.8971 . A 10 LYS N N 15 116.5630 . A 11 ALA H H 1 8.2390 . A 11 ALA HA H 1 4.3990 . A 11 ALA HB% H 1 1.4810 . A 11 ALA C C 13 178.8770 . A 11 ALA CA C 13 53.2920 . A 11 ALA CB C 13 19.3100 . A 11 ALA N N 15 124.1340 . A 12 GLY H H 1 8.1860 . A 12 GLY HA2 H 1 3.5820 . A 12 GLY HA3 H 1 4.5450 . A 12 GLY C C 13 178.6140 . A 12 GLY CA C 13 47.6400 . A 12 GLY N N 15 108.6610 . A 13 ILE H H 1 8.3090 . A 13 ILE HA H 1 4.1500 . A 13 ILE HB H 1 2.3000 . A 13 ILE HD1% H 1 0.4420 . A 13 ILE HG12 H 1 1.9560 . A 13 ILE HG13 H 1 2.0170 . A 13 ILE HG2% H 1 0.6870 . A 13 ILE C C 13 177.2345 . A 13 ILE CA C 13 60.5000 . A 13 ILE CB C 13 36.9700 . A 13 ILE CD1 C 13 12.6880 . A 13 ILE CG1 C 13 27.9800 . A 13 ILE N N 15 123.4648 . A 14 PHE H H 1 7.8010 . A 14 PHE HA H 1 3.3540 . A 14 PHE HB2 H 1 2.3650 . A 14 PHE HB3 H 1 2.6520 . A 14 PHE HD1 H 1 6.5270 . A 14 PHE HEx H 1 7.1250 . A 14 PHE C C 13 179.3010 . A 14 PHE CA C 13 63.8830 . A 14 PHE CB C 13 37.6080 . A 14 PHE N N 15 119.5600 . A 15 GLU H H 1 8.3310 . A 15 GLU HA H 1 4.2600 . A 15 GLU HB2 H 1 1.9000 . A 15 GLU HB3 H 1 2.0690 . A 15 GLU HGx H 1 2.1890 . A 15 GLU HGy H 1 2.3640 . A 15 GLU C C 13 181.4280 . A 15 GLU CA C 13 60.5790 . A 15 GLU CB C 13 28.1580 . A 15 GLU CG C 13 35.1100 . A 15 GLU N N 15 121.5670 . A 16 ARG H H 1 8.2400 . A 16 ARG HA H 1 4.1040 . A 16 ARG HB2 H 1 1.6900 . A 16 ARG HB3 H 1 1.7770 . A 16 ARG HD2 H 1 3.0800 . A 16 ARG HD3 H 1 3.4500 . A 16 ARG HE H 1 7.2610 . A 16 ARG HG2 H 1 1.5400 . A 16 ARG HG3 H 1 1.5400 . A 16 ARG C C 13 179.4180 . A 16 ARG CA C 13 56.8770 . A 16 ARG CB C 13 29.3970 . A 16 ARG CD C 13 42.3690 . A 16 ARG CG C 13 26.2500 . A 16 ARG N N 15 121.6020 . A 17 LEU H H 1 8.1340 . A 17 LEU HA H 1 3.6190 . A 17 LEU HB2 H 1 1.1450 . A 17 LEU HB3 H 1 1.4620 . A 17 LEU HD1% H 1 0.3100 . A 17 LEU HD2% H 1 0.0100 . A 17 LEU HG H 1 1.4300 . A 17 LEU C C 13 179.1360 . A 17 LEU CA C 13 59.1040 . A 17 LEU CB C 13 42.7700 . A 17 LEU CD1 C 13 18.0000 . A 17 LEU CD2 C 13 14.8000 . A 17 LEU CG C 13 25.4400 . A 17 LEU N N 15 119.7690 . A 18 GLU H H 1 7.6740 . A 18 GLU HA H 1 3.8890 . A 18 GLU HB2 H 1 2.2800 . A 18 GLU HB3 H 1 2.2700 . A 18 GLU HG2 H 1 2.4000 . A 18 GLU HG3 H 1 2.4000 . A 18 GLU C C 13 179.6430 . A 18 GLU CA C 13 59.9290 . A 18 GLU CB C 13 29.1700 . A 18 GLU CG C 13 35.5820 . A 18 GLU N N 15 115.5470 . A 19 GLU H H 1 7.7820 . A 19 GLU HA H 1 4.0470 . A 19 GLU HB2 H 1 2.1600 . A 19 GLU HB3 H 1 2.1320 . A 19 GLU HG2 H 1 2.3800 . A 19 GLU HG3 H 1 2.3800 . A 19 GLU C C 13 180.3740 . A 19 GLU CA C 13 59.4410 . A 19 GLU CB C 13 30.2690 . A 19 GLU CG C 13 36.2010 . A 19 GLU N N 15 119.2110 . A 20 LEU H H 1 8.5070 . A 20 LEU HA H 1 3.7610 . A 20 LEU HB2 H 1 1.6200 . A 20 LEU HB3 H 1 1.7800 . A 20 LEU HD1% H 1 0.5350 . A 20 LEU HD2% H 1 0.3900 . A 20 LEU HG H 1 1.5310 . A 20 LEU C C 13 181.6660 . A 20 LEU CA C 13 57.8620 . A 20 LEU CB C 13 42.1110 . A 20 LEU CD1 C 13 22.0010 . A 20 LEU CD2 C 13 22.0010 . A 20 LEU CG C 13 26.6510 . A 20 LEU N N 15 119.2640 . A 21 ILE H H 1 7.7500 . A 21 ILE HA H 1 3.6970 . A 21 ILE HB H 1 1.6170 . A 21 ILE HD1% H 1 0.4140 . A 21 ILE HG12 H 1 1.8300 . A 21 ILE HG13 H 1 1.8300 . A 21 ILE HG2% H 1 0.8730 . A 21 ILE C C 13 181.6960 . A 21 ILE CA C 13 65.1740 . A 21 ILE CB C 13 38.4200 . A 21 ILE CD1 C 13 13.9900 . A 21 ILE CG1 C 13 27.6600 . A 21 ILE N N 15 117.8790 . A 22 GLU H H 1 8.2030 . A 22 GLU HA H 1 3.8910 . A 22 GLU HB2 H 1 2.1740 . A 22 GLU HB3 H 1 2.1740 . A 22 GLU HG2 H 1 2.4000 . A 22 GLU HG3 H 1 2.4000 . A 22 GLU C C 13 180.4240 . A 22 GLU CA C 13 59.8640 . A 22 GLU CB C 13 30.0470 . A 22 GLU CG C 13 36.0530 . A 22 GLU N N 15 116.6560 . A 23 LYS H H 1 8.7130 . A 23 LYS HA H 1 4.3920 . A 23 LYS HB2 H 1 1.9600 . A 23 LYS HB3 H 1 1.9290 . A 23 LYS HD2 H 1 1.6900 . A 23 LYS HD3 H 1 1.6900 . A 23 LYS HE2 H 1 3.0300 . A 23 LYS HE3 H 1 3.0300 . A 23 LYS HG2 H 1 1.4900 . A 23 LYS HG3 H 1 1.4900 . A 23 LYS C C 13 180.6390 . A 23 LYS CA C 13 57.9520 . A 23 LYS CB C 13 34.6550 . A 23 LYS CD C 13 29.1100 . A 23 LYS CE C 13 42.2170 . A 23 LYS CG C 13 25.8610 . A 23 LYS N N 15 113.4260 . A 24 GLU H H 1 8.2250 . A 24 GLU HA H 1 4.7300 . A 24 GLU HB2 H 1 1.9760 . A 24 GLU HB3 H 1 2.6330 . A 24 GLU HGy H 1 2.3300 . A 24 GLU HGx H 1 2.1200 . A 24 GLU C C 13 177.4070 . A 24 GLU CA C 13 56.2410 . A 24 GLU CB C 13 30.6640 . A 24 GLU CG C 13 36.3200 . A 24 GLU N N 15 115.9430 . A 25 MET H H 1 6.8600 . A 25 MET HA H 1 4.8320 . A 25 MET HB2 H 1 2.0670 . A 25 MET HB3 H 1 2.3540 . A 25 MET HGx H 1 2.4300 . A 25 MET HGy H 1 2.4300 . A 25 MET C C 13 177.2860 . A 25 MET CA C 13 55.0220 . A 25 MET CB C 13 37.4160 . A 25 MET CE C 13 17.2400 . A 25 MET CG C 13 32.6310 . A 25 MET N N 15 115.0750 . A 26 GLN H H 1 9.2640 . A 26 GLN HA H 1 4.3450 . A 26 GLN HBx H 1 1.8720 . A 26 GLN HBy H 1 1.9900 . A 26 GLN HGx H 1 2.3230 . A 26 GLN HGy H 1 2.3230 . A 26 GLN C C 13 175.7180 . A 26 GLN CA C 13 52.9090 . A 26 GLN CB C 13 28.4170 . A 26 GLN CG C 13 33.1450 . A 26 GLN N N 15 122.8010 . A 27 PRO HA H 1 3.9150 . A 27 PRO HB2 H 1 2.4460 . A 27 PRO HB3 H 1 1.9190 . A 27 PRO HD2 H 1 3.6700 . A 27 PRO HD3 H 1 3.6700 . A 27 PRO HG2 H 1 1.7100 . A 27 PRO HG3 H 1 2.2600 . A 27 PRO C C 13 177.4500 . A 27 PRO CA C 13 64.9080 . A 27 PRO CB C 13 31.2650 . A 27 PRO CD C 13 49.7860 . A 27 PRO CG C 13 28.4740 . A 28 ASN H H 1 8.4580 . A 28 ASN HA H 1 4.4750 . A 28 ASN HBx H 1 3.0930 . A 28 ASN HBy H 1 3.0930 . A 28 ASN C C 13 179.4210 . A 28 ASN CA C 13 55.3680 . A 28 ASN CB C 13 38.9670 . A 28 ASN N N 15 118.9950 . A 29 GLU H H 1 8.2940 . A 29 GLU HA H 1 4.2910 . A 29 GLU HB2 H 1 2.0900 . A 29 GLU HB3 H 1 2.2700 . A 29 GLU HG2 H 1 2.5200 . A 29 GLU HG3 H 1 2.5200 . A 29 GLU C C 13 175.8830 . A 29 GLU CA C 13 56.8760 . A 29 GLU CB C 13 31.8630 . A 29 GLU CG C 13 37.0190 . A 29 GLU N N 15 123.1280 . A 30 VAL H H 1 8.0670 . A 30 VAL HA H 1 5.2930 . A 30 VAL HB H 1 1.8900 . A 30 VAL HG1% H 1 0.9040 . A 30 VAL HG2% H 1 0.9040 . A 30 VAL C C 13 177.2010 . A 30 VAL CA C 13 60.5620 . A 30 VAL CB C 13 33.4190 . A 30 VAL CG1 C 13 22.3200 . A 30 VAL CG2 C 13 22.3200 . A 30 VAL N N 15 123.6350 . A 31 ALA H H 1 9.0860 . A 31 ALA HA H 1 4.9190 . A 31 ALA HB% H 1 1.3060 . A 31 ALA C C 13 176.1790 . A 31 ALA CA C 13 51.4700 . A 31 ALA CB C 13 24.7720 . A 31 ALA N N 15 127.3910 . A 32 ILE H H 1 8.1750 . A 32 ILE HA H 1 5.1020 . A 32 ILE HB H 1 1.5700 . A 32 ILE HG12 H 1 0.9440 . A 32 ILE HG13 H 1 0.9440 . A 32 ILE HG2% H 1 0.7850 . A 32 ILE C C 13 176.3000 . A 32 ILE CA C 13 59.6040 . A 32 ILE CB C 13 41.4160 . A 32 ILE CD1 C 13 14.1190 . A 32 ILE CG1 C 13 28.8410 . A 32 ILE CG2 C 13 17.3520 . A 32 ILE N N 15 118.4680 . A 33 PHE H H 1 9.2770 . A 33 PHE HA H 1 5.4070 . A 33 PHE HB2 H 1 2.7400 . A 33 PHE HB3 H 1 3.1200 . A 33 PHE HDx H 1 7.0750 . A 33 PHE HDy H 1 7.0750 . A 33 PHE HEx H 1 7.1245 . A 33 PHE HEy H 1 7.1245 . A 33 PHE C C 13 176.6950 . A 33 PHE CA C 13 56.6270 . A 33 PHE CB C 13 41.5830 . A 33 PHE N N 15 123.9260 . A 34 MET H H 1 8.6060 . A 34 MET HA H 1 5.5170 . A 34 MET HB2 H 1 1.9300 . A 34 MET HB3 H 1 1.8960 . A 34 MET HGy H 1 2.4560 . A 34 MET HGx H 1 2.4315 . A 34 MET C C 13 177.1230 . A 34 MET CA C 13 53.5150 . A 34 MET CB C 13 36.4470 . A 34 MET CG C 13 30.9610 . A 34 MET N N 15 120.5190 . A 35 PHE H H 1 8.8320 . A 35 PHE HA H 1 4.6420 . A 35 PHE HB2 H 1 2.9430 . A 35 PHE HB3 H 1 3.5380 . A 35 PHE HDx H 1 7.0300 . A 35 PHE HDy H 1 7.0300 . A 35 PHE HEx H 1 7.1200 . A 35 PHE HEy H 1 7.1200 . A 35 PHE C C 13 175.1880 . A 35 PHE CA C 13 56.1000 . A 35 PHE CB C 13 41.4500 . A 35 PHE N N 15 118.1190 . A 36 GLU H H 1 9.4210 . A 36 GLU HA H 1 4.8900 . A 36 GLU HB2 H 1 2.0900 . A 36 GLU HB3 H 1 2.0900 . A 36 GLU HGy H 1 2.4400 . A 36 GLU HGx H 1 2.2800 . A 36 GLU C C 13 179.2580 . A 36 GLU CA C 13 57.1840 . A 36 GLU CB C 13 30.8440 . A 36 GLU CG C 13 37.1260 . A 36 GLU N N 15 120.5980 . A 37 VAL H H 1 9.0050 . A 37 VAL HA H 1 4.2300 . A 37 VAL HGx% H 1 0.9130 . A 37 VAL HGy% H 1 0.8800 . A 37 VAL C C 13 176.5500 . A 37 VAL CA C 13 65.9230 . A 37 VAL CGy C 13 21.1300 . A 37 VAL CGx C 13 20.4400 . A 37 VAL N N 15 122.8170 . A 38 GLY H H 1 8.4400 . A 38 GLY HAx H 1 3.8900 . A 38 GLY C C 13 173.8600 . A 38 GLY CA C 13 44.5600 . A 38 GLY N N 15 109.6600 . A 39 ASP H H 1 8.3300 . A 39 ASP HA H 1 4.9100 . A 39 ASP HB2 H 1 2.3500 . A 39 ASP HB3 H 1 2.8700 . A 39 ASP C C 13 177.5500 . A 39 ASP CA C 13 54.4200 . A 39 ASP CB C 13 37.1500 . A 39 ASP N N 15 119.4400 . A 40 PHE H H 1 7.9490 . A 40 PHE HA H 1 4.6200 . A 40 PHE HB3 H 1 3.1000 . A 40 PHE HDy H 1 6.8900 . A 40 PHE HEy H 1 7.1100 . A 40 PHE CA C 13 56.2500 . A 40 PHE CB C 13 36.1500 . A 40 PHE N N 15 123.3610 . A 41 SER H H 1 8.5190 . A 41 SER HA H 1 4.4920 . A 41 SER HBx H 1 3.7800 . A 41 SER HBy H 1 3.7800 . A 41 SER C C 13 174.5540 . A 41 SER CA C 13 59.6600 . A 41 SER CB C 13 63.2200 . A 41 SER N N 15 121.4830 . A 42 ASN H H 1 8.3300 . A 42 ASN HA H 1 4.9100 . A 42 ASN HB2 H 1 2.5000 . A 42 ASN HB3 H 1 3.1600 . A 42 ASN CA C 13 53.4900 . A 42 ASN CB C 13 38.1200 . A 42 ASN N N 15 118.9200 . A 43 ILE H H 1 8.2930 . A 43 ILE HA H 1 4.1800 . A 43 ILE HB H 1 1.8900 . A 43 ILE HD1% H 1 0.8760 . A 43 ILE HG1x H 1 1.3300 . A 43 ILE CA C 13 60.1100 . A 43 ILE CB C 13 38.4400 . A 43 ILE CD1 C 13 13.4613 . A 43 ILE CG1 C 13 28.4400 . A 43 ILE N N 15 121.5400 . A 44 PRO HA H 1 4.4610 . A 44 PRO HB2 H 1 2.3330 . A 44 PRO HB3 H 1 1.9620 . A 44 PRO HDx H 1 3.5400 . A 44 PRO HGx H 1 1.9100 . A 44 PRO C C 13 176.4650 . A 44 PRO CA C 13 65.3580 . A 44 PRO CB C 13 30.4410 . A 44 PRO CD C 13 49.2240 . A 44 PRO CG C 13 27.8690 . A 45 LYS H H 1 7.2700 . A 45 LYS HA H 1 4.1280 . A 45 LYS HB2 H 1 1.7500 . A 45 LYS HB3 H 1 1.9200 . A 45 LYS HD2 H 1 1.5800 . A 45 LYS HD3 H 1 1.5800 . A 45 LYS HE2 H 1 2.7000 . A 45 LYS HE3 H 1 2.7000 . A 45 LYS HG2 H 1 1.2300 . A 45 LYS HG3 H 1 1.2300 . A 45 LYS C C 13 181.4670 . A 45 LYS CA C 13 59.7120 . A 45 LYS CB C 13 33.2810 . A 45 LYS CD C 13 28.9870 . A 45 LYS CE C 13 41.7480 . A 45 LYS CG C 13 25.5420 . A 45 LYS N N 15 116.2360 . A 46 SER H H 1 8.2930 . A 46 SER HA H 1 4.0800 . A 46 SER HB2 H 1 3.7300 . A 46 SER C C 13 177.4320 . A 46 SER CA C 13 63.2020 . A 46 SER CB C 13 62.1180 . A 46 SER N N 15 116.0590 . A 47 ALA H H 1 6.9900 . A 47 ALA HA H 1 4.1280 . A 47 ALA HB% H 1 1.5900 . A 47 ALA C C 13 181.5280 . A 47 ALA CA C 13 55.7040 . A 47 ALA CB C 13 18.3260 . A 47 ALA N N 15 126.5790 . A 48 GLU H H 1 7.8630 . A 48 GLU HA H 1 4.0620 . A 48 GLU HB2 H 1 2.0900 . A 48 GLU HB3 H 1 2.0920 . A 48 GLU HG2 H 1 2.2580 . A 48 GLU HG3 H 1 2.3770 . A 48 GLU C C 13 180.8220 . A 48 GLU CA C 13 59.1000 . A 48 GLU CB C 13 29.7700 . A 48 GLU CG C 13 33.7410 . A 48 GLU N N 15 117.9800 . A 49 PHE H H 1 8.3410 . A 49 PHE HA H 1 4.1170 . A 49 PHE HB2 H 1 3.1200 . A 49 PHE HB3 H 1 3.0890 . A 49 PHE HDy H 1 7.1250 . A 49 PHE HEy H 1 7.2380 . A 49 PHE C C 13 179.5800 . A 49 PHE CA C 13 57.8130 . A 49 PHE CB C 13 41.6950 . A 49 PHE N N 15 122.1790 . A 50 ILE H H 1 8.3220 . A 50 ILE HA H 1 3.5330 . A 50 ILE HB H 1 1.6200 . A 50 ILE HD1% H 1 0.6842 . A 50 ILE HG1x H 1 1.3250 . A 50 ILE HG1y H 1 1.3250 . A 50 ILE HG2% H 1 0.8600 . A 50 ILE C C 13 179.6980 . A 50 ILE CA C 13 62.8840 . A 50 ILE CB C 13 36.6690 . A 50 ILE CD1 C 13 11.8690 . A 50 ILE CG1 C 13 27.6820 . A 50 ILE CG2 C 13 18.4470 . A 50 ILE N N 15 117.4690 . A 51 GLN H H 1 7.8870 . A 51 GLN HA H 1 4.2610 . A 51 GLN HB2 H 1 2.1800 . A 51 GLN HB3 H 1 2.1540 . A 51 GLN HG2 H 1 2.4200 . A 51 GLN HG3 H 1 2.5800 . A 51 GLN C C 13 182.6270 . A 51 GLN CA C 13 58.8620 . A 51 GLN CB C 13 28.4510 . A 51 GLN CG C 13 34.5160 . A 51 GLN N N 15 117.1900 . A 52 SER H H 1 8.5560 . A 52 SER HA H 1 4.1370 . A 52 SER HB2 H 1 4.0000 . A 52 SER CA C 13 61.4010 . A 52 SER CB C 13 62.6150 . A 52 SER N N 15 117.6700 . A 53 LYS H H 1 7.0640 . A 53 LYS HA H 1 4.1700 . A 53 LYS HB2 H 1 1.5800 . A 53 LYS HB3 H 1 1.8500 . A 53 LYS HD2 H 1 1.2900 . A 53 LYS HD3 H 1 1.3700 . A 53 LYS HE2 H 1 2.4200 . A 53 LYS HE3 H 1 2.6300 . A 53 LYS HG2 H 1 0.9000 . A 53 LYS HG3 H 1 0.9900 . A 53 LYS C C 13 177.9110 . A 53 LYS CA C 13 54.6620 . A 53 LYS CB C 13 32.6520 . A 53 LYS CD C 13 27.4930 . A 53 LYS CE C 13 42.2900 . A 53 LYS CG C 13 23.7550 . A 53 LYS N N 15 119.0080 . A 54 GLY H H 1 7.5480 . A 54 GLY HA2 H 1 3.6600 . A 54 GLY HA3 H 1 3.9200 . A 54 GLY C C 13 175.5280 . A 54 GLY CA C 13 45.1180 . A 54 GLY N N 15 105.1880 . A 55 HIS H H 1 6.9980 . A 55 HIS HA H 1 4.9470 . A 55 HIS HB2 H 1 2.6590 . A 55 HIS HB3 H 1 3.4250 . A 55 HIS HD1 H 1 8.9910 . A 55 HIS HE1 H 1 8.1150 . A 55 HIS C C 13 175.2400 . A 55 HIS CA C 13 54.8470 . A 55 HIS CB C 13 31.3150 . A 55 HIS N N 15 118.2940 . A 56 GLU H H 1 8.5090 . A 56 GLU HA H 1 4.6660 . A 56 GLU HB2 H 1 2.0500 . A 56 GLU HB3 H 1 2.0190 . A 56 GLU HG2 H 1 2.3010 . A 56 GLU HG3 H 1 2.3010 . A 56 GLU C C 13 176.7660 . A 56 GLU CA C 13 55.1620 . A 56 GLU CB C 13 33.1100 . A 56 GLU CG C 13 36.3890 . A 56 GLU N N 15 118.2050 . A 57 LEU H H 1 8.9780 . A 57 LEU HA H 1 4.7860 . A 57 LEU HB2 H 1 1.3100 . A 57 LEU HB3 H 1 1.2850 . A 57 LEU HDx% H 1 0.8720 . A 57 LEU HG H 1 1.5170 . A 57 LEU C C 13 177.8540 . A 57 LEU CA C 13 53.7800 . A 57 LEU CB C 13 42.6760 . A 57 LEU CDx C 13 25.3300 . A 57 LEU CG C 13 25.4650 . A 57 LEU N N 15 127.7690 . A 58 LEU H H 1 9.1280 . A 58 LEU HA H 1 4.4020 . A 58 LEU HB2 H 1 1.5300 . A 58 LEU HB3 H 1 1.5070 . A 58 LEU HD1% H 1 0.8620 . A 58 LEU HD2% H 1 0.8620 . A 58 LEU C C 13 179.4690 . A 58 LEU CA C 13 56.5340 . A 58 LEU CB C 13 42.3710 . A 58 LEU N N 15 128.3640 . A 59 ASN H H 1 7.5740 . A 59 ASN HA H 1 4.9180 . A 59 ASN HB2 H 1 2.4760 . A 59 ASN HB3 H 1 2.6480 . A 59 ASN C C 13 175.5600 . A 59 ASN CA C 13 52.3890 . A 59 ASN CB C 13 41.8870 . A 59 ASN N N 15 113.6220 . A 60 SER H H 1 8.4360 . A 60 SER HA H 1 4.0450 . A 60 SER HBx H 1 3.5620 . A 60 SER CA C 13 56.9250 . A 60 SER CB C 13 63.6490 . A 60 SER N N 15 118.1340 . A 61 LEU H H 1 8.7250 . A 61 LEU HA H 1 4.2190 . A 61 LEU HB2 H 1 1.3770 . A 61 LEU HB3 H 1 1.4950 . A 61 LEU HD1% H 1 0.7270 . A 61 LEU HD2% H 1 0.7270 . A 61 LEU HG H 1 1.6520 . A 61 LEU CA C 13 55.1060 . A 61 LEU CB C 13 44.5770 . A 61 LEU CG C 13 26.2230 . A 61 LEU N N 15 128.2660 . A 62 ARG H H 1 7.3030 . A 62 ARG HA H 1 4.3120 . A 62 ARG HBy H 1 1.7920 . A 62 ARG HBx H 1 1.7630 . A 62 ARG HGx H 1 1.3860 . A 62 ARG HGy H 1 1.3860 . A 62 ARG C C 13 176.5600 . A 62 ARG CA C 13 57.2900 . A 62 ARG CB C 13 30.8280 . A 62 ARG CG C 13 28.4400 . A 62 ARG N N 15 122.3830 . A 63 PHE H H 1 8.3210 . A 63 PHE HA H 1 4.6130 . A 63 PHE HB2 H 1 2.4830 . A 63 PHE HB3 H 1 2.9100 . A 63 PHE HDy H 1 6.8910 . A 63 PHE HEy H 1 7.1800 . A 63 PHE CA C 13 61.3770 . A 63 PHE CB C 13 39.9080 . A 63 PHE N N 15 120.5600 . A 64 ASN H H 1 8.1010 . A 64 ASN HA H 1 4.3770 . A 64 ASN HB2 H 1 2.8800 . A 64 ASN HB3 H 1 2.8750 . A 64 ASN C C 13 176.6420 . A 64 ASN CA C 13 53.4650 . A 64 ASN CB C 13 37.4500 . A 64 ASN N N 15 117.6160 . A 65 GLN H H 1 8.3300 . A 65 GLN HA H 1 4.2750 . A 65 GLN HB2 H 1 2.1910 . A 65 GLN HB3 H 1 2.1910 . A 65 GLN HG2 H 1 2.4150 . A 65 GLN HG3 H 1 2.5760 . A 65 GLN C C 13 178.4110 . A 65 GLN CA C 13 59.1270 . A 65 GLN CB C 13 28.6500 . A 65 GLN CG C 13 34.4980 . A 65 GLN N N 15 115.5480 . A 66 ALA H H 1 8.3460 . A 66 ALA HA H 1 4.6520 . A 66 ALA HB% H 1 1.4430 . A 66 ALA C C 13 178.8930 . A 66 ALA CA C 13 52.7510 . A 66 ALA CB C 13 21.7050 . A 66 ALA N N 15 120.8020 . A 67 ASP H H 1 8.1170 . A 67 ASP HA H 1 4.6120 . A 67 ASP HBx H 1 2.6830 . A 67 ASP HBy H 1 2.6830 . A 67 ASP C C 13 175.6390 . A 67 ASP CA C 13 54.7260 . A 67 ASP CB C 13 45.1520 . A 67 ASP N N 15 118.9090 . A 68 TRP H H 1 8.3100 . A 68 TRP HA H 1 4.4770 . A 68 TRP HB3 H 1 2.6340 . A 68 TRP HD1 H 1 7.2130 . A 68 TRP HE1 H 1 9.8100 . A 68 TRP CA C 13 56.2530 . A 68 TRP CB C 13 33.7190 . A 69 THR H H 1 7.9850 . A 69 THR HA H 1 5.6050 . A 69 THR HB H 1 3.7500 . A 69 THR C C 13 176.0050 . A 69 THR CA C 13 58.8550 . A 69 THR CB C 13 72.7550 . A 69 THR CG2 C 13 22.7950 . A 69 THR N N 15 114.4950 . A 70 ILE H H 1 8.8070 . A 70 ILE HA H 1 5.3840 . A 70 ILE HB H 1 2.1200 . A 70 ILE HG13 H 1 1.4370 . A 70 ILE HG2% H 1 0.8170 . A 70 ILE C C 13 175.7510 . A 70 ILE CA C 13 59.6370 . A 70 ILE CB C 13 41.6890 . A 70 ILE CD1 C 13 12.6000 . A 70 ILE CG1 C 13 26.3840 . A 70 ILE CG2 C 13 17.6830 . A 70 ILE N N 15 114.4480 . A 71 VAL H H 1 8.5000 . A 71 VAL HA H 1 5.0120 . A 71 VAL HB H 1 1.9400 . A 71 VAL HG1% H 1 0.8690 . A 71 VAL HG2% H 1 0.6910 . A 71 VAL C C 13 177.6250 . A 71 VAL CA C 13 61.6470 . A 71 VAL CB C 13 32.4820 . A 71 VAL CG1 C 13 21.8540 . A 71 VAL CG2 C 13 19.8580 . A 71 VAL N N 15 124.0840 . A 72 VAL H H 1 9.2800 . A 72 VAL HA H 1 5.1470 . A 72 VAL HB H 1 2.1000 . A 72 VAL HG1% H 1 1.0330 . A 72 VAL HG2% H 1 0.8740 . A 72 VAL C C 13 175.4440 . A 72 VAL CA C 13 60.2520 . A 72 VAL CB C 13 37.4250 . A 72 VAL CG1 C 13 22.1870 . A 72 VAL CG2 C 13 20.4710 . A 72 VAL N N 15 127.7530 . A 73 ARG H H 1 9.1940 . A 73 ARG HA H 1 5.4580 . A 73 ARG HB2 H 1 1.5620 . A 73 ARG HB3 H 1 1.9650 . A 73 ARG HD2 H 1 3.2490 . A 73 ARG HD3 H 1 3.2490 . A 73 ARG HG2 H 1 1.3550 . A 73 ARG HG3 H 1 1.4750 . A 73 ARG C C 13 177.9810 . A 73 ARG CA C 13 53.7880 . A 73 ARG CB C 13 33.8550 . A 73 ARG CD C 13 43.5920 . A 73 ARG CG C 13 26.4980 . A 73 ARG N N 15 125.8390 . A 74 LYS H H 1 10.9300 . A 74 LYS HA H 1 4.3230 . A 74 LYS HB2 H 1 1.4800 . A 74 LYS HB3 H 1 2.1700 . A 74 LYS HDx H 1 1.7200 . A 74 LYS HDy H 1 1.7200 . A 74 LYS HE2 H 1 2.8930 . A 74 LYS HE3 H 1 2.8930 . A 74 LYS HG2 H 1 1.1530 . A 74 LYS HG3 H 1 1.4970 . A 74 LYS C C 13 178.3400 . A 74 LYS CA C 13 55.9830 . A 74 LYS CB C 13 33.1030 . A 74 LYS CD C 13 30.0180 . A 74 LYS CE C 13 42.9800 . A 74 LYS CG C 13 26.3460 . A 74 LYS N N 15 129.5220 . A 75 LYS H H 1 10.8730 . A 75 LYS HA H 1 4.4890 . A 75 LYS HBx H 1 1.8780 . A 75 LYS HBy H 1 1.8780 . A 75 LYS HDx H 1 1.6032 . A 75 LYS HDy H 1 1.6032 . A 75 LYS HGx H 1 1.3560 . A 75 LYS HGy H 1 1.3560 . A 75 LYS CA C 13 55.9270 . A 75 LYS CB C 13 29.7300 . A 75 LYS CD C 13 28.2340 . A 75 LYS CG C 13 23.8710 . A 75 LYS N N 15 131.8170 . A 76 ALA H H 1 8.2770 . A 76 ALA HA H 1 4.3360 . A 76 ALA HB% H 1 1.4120 . A 76 ALA CA C 13 51.7860 . A 76 ALA CB C 13 19.7470 . A 76 ALA N N 15 125.3720 . stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 47 ALA HB% A 55 HIS HD2 1.0 . 2.00 2 2 A 47 ALA HB% A 55 HIS HB2 1.0 . 2.00 3 3 A 36 GLU H A 7 ARG HA 1.0 . 2.64 4 4 A 4 PHE H A 3 ARG HA 1.0 . 2.40 5 5 A 58 LEU H A 57 LEU HA 1.0 . 2.19 6 6 A 17 LEU HD1% A 17 LEU HD2% 1.0 . 2.04 7 7 A 20 LEU HB2 A 20 LEU H 1.0 . 2.04 8 8 A 16 ARG HB2 A 13 ILE HA 1.0 . 2.40 9 9 A 17 LEU HB2 A 17 LEU H 1.0 . 2.05 10 10 A 26 GLN HBx A 29 GLU HG3 1.0 . 2.05 11 11 A 53 LYS HB2 A 53 LYS HD3 1.0 . 2.05 12 12 A 57 LEU HA A 58 LEU HB2 1.0 . 4.41 13 13 A 9 LEU HD1% A 6 LEU HA 1.0 . 2.06 14 14 A 6 LEU HA A 9 LEU HB2 1.0 . 2.06 15 15 A 73 ARG HB2 A 28 ASN HA 1.0 . 4.63 16 16 A 23 LYS HB2 A 23 LYS H 1.0 . 2.07 17 17 A 68 TRP H A 34 MET HA 1.0 . 5.12 18 18 A 7 ARG HBx A 7 ARG H 1.0 . 2.08 19 19 A 26 GLN HBx A 26 GLN H 1.0 . 2.09 20 20 A 18 GLU HB2 A 18 GLU H 1.0 . 2.10 21 21 A 49 PHE HB2 A 49 PHE H 1.0 . 2.10 22 22 A 35 PHE HB2 A 6 LEU HB3 1.0 . 5.46 23 23 A 42 ASN HB2 A 42 ASN H 1.0 . 2.12 24 24 A 36 GLU HB2 A 7 ARG HGx 1.0 . 3.37 25 25 A 61 LEU HD1% A 61 LEU HB2 1.0 . 2.13 26 26 A 5 ASP H A 4 PHE HA 1.0 . 2.14 27 27 A 32 ILE HD11 A 2 LYS HG3 1.0 . 3.92 28 28 A 56 GLU H A 55 HIS HA 1.0 . 2.14 29 29 A 57 LEU HDx% A 33 PHE HDx 1.0 . 5.29 30 30 A 60 SER H A 59 ASN HA 1.0 . 2.14 31 31 A 71 VAL HG1% A 30 VAL HB 1.0 . 5.44 32 32 A 72 VAL H A 30 VAL HA 1.0 . 4.27 33 33 A 30 VAL HA A 73 ARG H 1.0 . 5.07 34 34 A 2 LYS HB2 A 2 LYS HD2 1.0 . 2.41 35 35 A 68 TRP HBx A 35 PHE HEx 1.0 . 3.99 36 36 A 74 LYS H A 73 ARG HA 1.0 . 2.15 37 37 A 50 ILE HG1x A 50 ILE H 1.0 . 2.15 38 38 A 6 LEU HD1% A 14 PHE HA 1.0 . 2.15 39 39 A 13 ILE HA A 16 ARG H 1.0 . 3.14 40 40 A 73 ARG HA A 74 LYS HB2 1.0 . 4.49 41 41 A 33 PHE HB2 A 6 LEU HD2% 1.0 . 5.08 42 42 A 34 MET H A 5 ASP HA 1.0 . 2.99 43 43 A 35 PHE HB2 A 14 PHE HDy 1.0 . 3.84 44 44 A 52 SER H A 51 GLN HA 1.0 . 2.16 45 45 A 7 ARG HBx A 7 ARG HDy 1.0 . 2.16 46 46 A 14 PHE HB2 A 6 LEU HG 1.0 . 2.16 47 47 A 57 LEU HDx% A 43 ILE HD1% 1.0 . 5.27 48 48 A 62 ARG H A 61 LEU HA 1.0 . 2.17 49 49 A 24 GLU HB2 A 24 GLU H 1.0 . 2.17 50 50 A 5 ASP HA A 6 LEU H 1.0 . 2.18 51 51 A 4 PHE HA A 5 ASP HB2 1.0 . 4.43 52 52 A 22 GLU HB2 A 22 GLU H 1.0 . 2.18 53 53 A 58 LEU HB2 A 58 LEU HD1% 1.0 . 2.01 54 54 A 70 ILE H A 32 ILE HA 1.0 . 3.70 55 55 A 37 VAL HGx% A 37 VAL HA 1.0 . 2.19 56 56 A 20 LEU HD1% A 20 LEU HD2% 1.0 . 2.19 57 57 A 21 ILE HG12 A 21 ILE HD1% 1.0 . 2.21 58 58 A 70 ILE H A 33 PHE HA 1.0 . 5.11 59 59 A 33 PHE HDx A 70 ILE HG1x 1.0 . 5.19 60 60 A 15 GLU HB2 A 15 GLU HGy 1.0 . 2.21 61 61 A 45 LYS HB2 A 45 LYS HG3 1.0 . 2.21 62 62 A 26 GLN H A 25 MET HA 1.0 . 2.22 63 63 A 31 ALA HB% A 22 GLU HG3 1.0 . 5.17 64 64 A 21 ILE HD1% A 21 ILE HG13 1.0 . 2.22 65 65 A 19 GLU HB2 A 19 GLU HG3 1.0 . 2.22 66 66 A 24 GLU HB2 A 24 GLU HGx 1.0 . 2.22 67 67 A 31 ALA HB% A 25 MET HGy 1.0 . 4.39 68 68 A 37 VAL HGx% A 38 GLY H 1.0 . 2.23 69 69 A 3 ARG H A 1 MET HA 1.0 . 3.59 70 70 A 56 GLU HB2 A 56 GLU HG3 1.0 . 2.23 71 71 A 28 ASN HA A 74 LYS HB2 1.0 . 3.61 72 72 A 75 LYS HBx A 76 ALA H 1.0 . 3.78 73 73 A 45 LYS HB2 A 42 ASN HA 1.0 . 2.24 74 74 A 45 LYS HB2 A 45 LYS H 1.0 . 2.24 75 75 A 17 LEU HD1% A 20 LEU HD2% 1.0 . 2.25 76 76 A 12 GLY H A 11 ALA HA 1.0 . 2.26 77 77 A 6 LEU HD1% A 6 LEU HG 1.0 . 2.26 78 78 A 57 LEU HDx% A 44 PRO HA 1.0 . 5.12 79 79 A 60 SER HBx A 60 SER HA 1.0 . 2.26 80 80 A 5 ASP HA A 34 MET HB2 1.0 . 3.13 81 81 A 58 LEU H A 58 LEU HB2 1.0 . 2.05 82 82 A 40 PHE HDx A 40 PHE H 1.0 . 2.27 83 83 A 44 PRO HA A 48 GLU H 1.0 . 4.59 84 84 A 32 ILE HD11 A 2 LYS HE3 1.0 . 5.21 85 85 A 28 ASN H A 26 GLN HA 1.0 . 3.94 86 86 A 33 PHE HB2 A 70 ILE HG1x 1.0 . 5.39 87 87 A 76 ALA H A 75 LYS H 1.0 . 4.61 88 88 A 40 PHE H A 41 SER H 1.0 . 2.29 89 89 A 71 VAL HG1% A 31 ALA H 1.0 . 5.36 90 90 A 4 PHE HEx A 4 PHE HDx 1.0 . 2.46 91 91 A 62 ARG HBy A 62 ARG HDy 1.0 . 2.29 92 92 A 34 MET HA A 70 ILE H 1.0 . 3.67 93 93 A 47 ALA HB% A 57 LEU HDx% 1.0 . 3.71 94 94 A 29 GLU HB2 A 25 MET HB3 1.0 . 3.48 95 95 A 5 ASP HA A 34 MET HE1 1.0 . 5.42 96 96 A 41 SER HBx A 41 SER HA 1.0 . 2.35 97 97 A 11 ALA H A 10 LYS HA 1.0 . 2.36 98 98 A 16 ARG H A 15 GLU H 1.0 . 2.37 99 99 A 20 LEU H A 19 GLU H 1.0 . 2.37 100 100 A 61 LEU HD1% A 40 PHE HBx 1.0 . 2.38 101 101 A 63 PHE HDx A 63 PHE HB2 1.0 . 2.39 102 102 A 10 LYS HA A 10 LYS HB2 1.0 . 2.39 103 103 A 10 LYS HB2 A 10 LYS HDy 1.0 . 2.39 104 104 A 15 GLU HB2 A 15 GLU HA 1.0 . 2.39 105 105 A 19 GLU HB2 A 19 GLU HA 1.0 . 2.39 106 106 A 55 HIS HB2 A 55 HIS HA 1.0 . 2.39 107 107 A 63 PHE HB2 A 63 PHE HA 1.0 . 2.39 108 108 A 63 PHE HDx A 63 PHE HB2 1.0 . 2.39 109 109 A 67 ASP HBx A 67 ASP HA 1.0 . 2.39 110 110 A 74 LYS HB2 A 28 ASN H 1.0 . 3.72 111 111 A 4 PHE H A 4 PHE HB2 1.0 . 2.71 112 112 A 71 VAL HG1% A 32 ILE HG13 1.0 . 2.40 113 113 A 22 GLU HB2 A 19 GLU HA 1.0 . 2.40 114 114 A 47 ALA HB% A 57 LEU HDx% 1.0 . 5.19 115 115 A 2 LYS HG3 A 2 LYS HB2 1.0 . 2.42 116 116 A 10 LYS HB2 A 10 LYS HG3 1.0 . 2.41 117 117 A 25 MET HGy A 25 MET HB2 1.0 . 2.41 118 118 A 50 ILE HG1x A 50 ILE HD1% 1.0 . 2.42 119 119 A 34 MET HA A 35 PHE H 1.0 . 2.16 120 120 A 34 MET HA A 35 PHE HDx 1.0 . 3.12 121 121 A 26 GLN H A 29 GLU HB2 1.0 . 2.43 122 122 A 63 PHE H A 62 ARG HA 1.0 . 2.44 123 123 A 50 ILE HG1x A 50 ILE HD1% 1.0 . 2.44 124 124 A 3 ARG H A 2 LYS HA 1.0 . 2.93 125 125 A 70 ILE HG1x A 43 ILE HG1y 1.0 . 4.73 126 126 A 3 ARG HB2 A 3 ARG HG3 1.0 . 2.23 127 127 A 11 ALA H A 11 ALA HB% 1.0 . 2.45 128 128 A 25 MET HB2 A 25 MET HGx 1.0 . 2.45 129 129 A 30 VAL H A 29 GLU HA 1.0 . 2.46 130 130 A 4 PHE HA A 4 PHE HB2 1.0 . 2.77 131 131 A 33 PHE HDx A 18 GLU HG2 1.0 . 2.86 132 132 A 34 MET HA A 35 PHE HEx 1.0 . 5.26 133 133 A 49 PHE HEx A 49 PHE HDx 1.0 . 2.46 134 134 A 50 ILE HD1% A 50 ILE HG1y 1.0 . 2.46 135 135 A 4 PHE HB2 A 4 PHE HD2 1.0 . 2.81 136 136 A 33 PHE HDx A 18 GLU HG3 1.0 . 3.88 137 137 A 35 PHE H A 35 PHE HDx 1.0 . 2.12 138 138 A 35 PHE HEx A 68 TRP HD1 1.0 . 4.46 139 139 A 44 PRO HA A 48 GLU HB2 1.0 . 5.30 140 140 A 43 ILE HD1% A 70 ILE HG1x 1.0 . 5.20 141 141 A 30 VAL HA A 31 ALA H 1.0 . 2.22 142 142 A 7 ARG HDy A 34 MET HB2 1.0 . 5.32 143 143 A 43 ILE HG1x A 43 ILE HB 1.0 . 2.48 144 144 A 43 ILE HD1% A 43 ILE HG1x 1.0 . 2.48 145 145 A 43 ILE HD1% A 43 ILE HG1x 1.0 . 2.48 146 146 A 10 LYS H A 9 LEU HA 1.0 . 2.50 147 147 A 13 ILE HG12 A 13 ILE HD1% 1.0 . 2.50 148 148 A 30 VAL HB A 30 VAL HG1% 1.0 . 2.50 149 149 A 3 ARG HA A 3 ARG HB2 1.0 . 2.50 150 150 A 52 SER HB2 A 52 SER HA 1.0 . 2.50 151 151 A 73 ARG HB2 A 30 VAL HA 1.0 . 5.15 152 152 A 21 ILE HG12 A 21 ILE HB 1.0 . 2.51 153 153 A 55 HIS HE1 A 55 HIS HD1 1.0 . 2.51 154 154 A 55 HIS HE1 A 55 HIS HD1 1.0 . 2.51 155 155 A 15 GLU HB2 A 42 ASN HB3 1.0 . 2.51 156 156 A 65 GLN HB2 A 65 GLN H 1.0 . 2.51 157 157 A 24 GLU H A 25 MET H 1.0 . 2.53 158 158 A 7 ARG H A 34 MET HB2 1.0 . 5.45 159 159 A 57 LEU H A 56 GLU HA 1.0 . 2.14 160 160 A 42 ASN H A 41 SER H 1.0 . 2.55 161 161 A 68 TRP H A 36 GLU HA 1.0 . 3.79 162 162 A 46 SER HB2 A 47 ALA H 1.0 . 2.55 163 163 A 30 VAL HA A 73 ARG HA 1.0 . 2.55 164 164 A 32 ILE HD11 A 3 ARG HB3 1.0 . 4.45 165 165 A 59 ASN HA A 59 ASN HB2 1.0 . 2.60 166 166 A 67 ASP HBx A 36 GLU HB3 1.0 . 2.60 167 167 A 32 ILE HD11 A 3 ARG HD2 1.0 . 5.37 168 168 A 64 ASN HB2 A 64 ASN H 1.0 . 2.61 169 169 A 21 ILE HG12 A 4 PHE HD2 1.0 . 2.62 170 170 A 31 ALA H A 72 VAL HG1% 1.0 . 5.48 171 171 A 67 ASP HBx A 7 ARG HGy 1.0 . 2.63 172 172 A 43 ILE HG1x A 43 ILE HA 1.0 . 2.64 173 173 A 31 ALA HB% A 72 VAL HG1% 1.0 . 5.49 174 174 A 7 ARG HBx A 8 PRO HDx 1.0 . 2.64 175 175 A 23 LYS H A 22 GLU H 1.0 . 2.70 176 176 A 55 HIS HD2 A 55 HIS HB2 1.0 . 2.70 177 177 A 58 LEU HD1% A 58 LEU HG 1.0 . 2.27 178 178 A 69 THR H A 68 TRP HA 1.0 . 2.71 179 179 A 28 ASN HBx A 26 GLN HBy 1.0 . 4.73 180 180 A 56 GLU HB2 A 56 GLU HG2 1.0 . 2.71 181 181 A 62 ARG H A 68 TRP HD1 1.0 . 2.08 182 182 A 3 ARG HB2 A 3 ARG HG2 1.0 . 2.72 183 183 A 62 ARG HBy A 68 TRP HE1 1.0 . 2.72 184 184 A 33 PHE HB2 A 18 GLU HG2 1.0 . 4.58 185 185 A 19 GLU HB2 A 19 GLU HG2 1.0 . 2.73 186 186 A 62 ARG HBy A 68 TRP HE1 1.0 . 2.72 187 187 A 32 ILE HD11 A 71 VAL HG1% 1.0 . 3.38 188 188 A 56 GLU H A 56 GLU HB2 1.0 . 2.74 189 189 A 29 GLU HB2 A 26 GLN HBy 1.0 . 2.75 190 190 A 51 GLN HA A 51 GLN HB2 1.0 . 2.75 191 191 A 21 ILE HD1% A 21 ILE HA 1.0 . 2.76 192 192 A 56 GLU HA A 57 LEU HB2 1.0 . 5.02 193 193 A 66 ALA H A 65 GLN HA 1.0 . 2.77 194 194 A 21 ILE HG12 A 21 ILE HD1% 1.0 . 2.77 195 195 A 56 GLU HB2 A 56 GLU HA 1.0 . 2.77 196 196 A 43 ILE HD1% A 70 ILE HG1x 1.0 . 5.33 197 197 A 66 ALA H A 66 ALA HA 1.0 . 2.79 198 198 A 52 SER HA A 55 HIS HE1 1.0 . 2.79 199 199 A 55 HIS HD1 A 55 HIS HB3 1.0 . 2.79 200 200 A 6 LEU HD1% A 14 PHE HB2 1.0 . 2.79 201 201 A 47 ALA H A 47 ALA HA 1.0 . 2.80 202 202 A 16 ARG HB2 A 15 GLU H 1.0 . 4.49 203 203 A 19 GLU HB2 A 19 GLU H 1.0 . 2.80 204 204 A 59 ASN HB2 A 59 ASN H 1.0 . 2.80 205 205 A 28 ASN HA A 74 LYS H 1.0 . 3.93 206 206 A 21 ILE HD1% A 24 GLU HB3 1.0 . 2.81 207 207 A 35 PHE HEx A 35 PHE HDx 1.0 . 2.46 208 208 A 23 LYS H A 23 LYS HA 1.0 . 2.82 209 209 A 14 PHE HA A 14 PHE H 1.0 . 2.83 210 210 A 17 LEU HD1% A 20 LEU HB2 1.0 . 2.83 211 211 A 55 HIS HA A 73 ARG H 1.0 . 4.56 212 212 A 20 LEU HB2 A 20 LEU HA 1.0 . 2.84 213 213 A 73 ARG HB2 A 56 GLU H 1.0 . 5.37 214 214 A 57 LEU HA A 73 ARG H 1.0 . 3.72 215 215 A 5 ASP H A 5 ASP HB2 1.0 . 2.18 216 216 A 16 ARG HB2 A 15 GLU HB3 1.0 . 5.12 217 217 A 57 LEU HB2 A 57 LEU HD21 1.0 . 2.16 218 218 A 57 LEU HDx% A 70 ILE HD11 1.0 . 2.28 219 219 A 33 PHE HEx A 18 GLU HB3 1.0 . 5.03 220 220 A 33 PHE HB2 A 18 GLU HG3 1.0 . 5.10 221 221 A 46 SER H A 46 SER HA 1.0 . 2.87 222 222 A 57 LEU HDx% A 70 ILE HG1x 1.0 . 2.30 223 223 A 70 ILE HD11 A 57 LEU HB3 1.0 . 2.32 224 224 A 26 GLN HA A 29 GLU HB2 1.0 . 4.30 225 225 A 33 PHE HA A 34 MET HB2 1.0 . 4.58 226 226 A 21 ILE HG12 A 21 ILE HD1% 1.0 . 2.88 227 227 A 21 ILE HG12 A 21 ILE HD1% 1.0 . 2.88 228 228 A 70 ILE HG1x A 57 LEU HG 1.0 . 2.86 229 229 A 29 GLU HB2 A 26 GLN HGx 1.0 . 4.75 230 230 A 47 ALA HB% A 48 GLU H 1.0 . 2.89 231 231 A 21 ILE HA A 21 ILE H 1.0 . 2.90 232 232 A 45 LYS H A 45 LYS HA 1.0 . 2.90 233 233 A 5 ASP HA A 5 ASP HB2 1.0 . 2.85 234 234 A 71 VAL HG1% A 32 ILE HA 1.0 . 3.86 235 235 A 32 ILE H A 31 ALA HA 1.0 . 2.14 236 236 A 62 ARG HBy A 68 TRP HD1 1.0 . 3.10 237 237 A 3 ARG HA A 3 ARG H 1.0 . 2.92 238 238 A 28 ASN HBx A 27 PRO HG2 1.0 . 3.27 239 239 A 32 ILE HD11 A 32 ILE HG13 1.0 . 2.31 240 240 A 74 LYS HB2 A 26 GLN HBy 1.0 . 5.48 241 241 A 74 LYS HB2 A 29 GLU H 1.0 . 2.39 242 242 A 55 HIS HA A 55 HIS H 1.0 . 2.93 243 243 A 56 GLU H A 56 GLU HA 1.0 . 2.93 244 244 A 73 ARG HB2 A 58 LEU HD1% 1.0 . 4.56 245 245 A 28 ASN H A 27 PRO HA 1.0 . 3.37 246 246 A 29 GLU HB2 A 26 GLN HGy 1.0 . 5.24 247 247 A 30 VAL HA A 30 VAL H 1.0 . 2.94 248 248 A 33 PHE HDx A 18 GLU HB3 1.0 . 5.45 249 249 A 69 THR H A 69 THR HA 1.0 . 2.94 250 250 A 17 LEU HD1% A 17 LEU HG 1.0 . 2.94 251 251 A 20 LEU HB2 A 20 LEU HG 1.0 . 2.94 252 252 A 30 VAL HA A 31 ALA HB% 1.0 . 5.37 253 253 A 59 ASN HA A 59 ASN H 1.0 . 2.95 254 254 A 57 LEU HDx% A 70 ILE HG1x 1.0 . 3.07 255 255 A 72 VAL H A 32 ILE HA 1.0 . 3.79 256 256 A 47 ALA HB% A 47 ALA HA 1.0 . 3.02 257 257 A 20 LEU H A 17 LEU HA 1.0 . 3.03 258 258 A 57 LEU H A 57 LEU HB2 1.0 . 2.40 259 259 A 45 LYS HB2 A 45 LYS HD2 1.0 . 3.03 260 260 A 64 ASN HB2 A 64 ASN HA 1.0 . 3.03 261 261 A 50 ILE HG1x A 50 ILE HA 1.0 . 3.04 262 262 A 23 LYS HB2 A 24 GLU H 1.0 . 3.04 263 263 A 56 GLU H A 73 ARG H 1.0 . 3.06 264 264 A 14 PHE HB2 A 9 LEU HB3 1.0 . 3.06 265 265 A 75 LYS HBx A 73 ARG HD3 1.0 . 4.41 266 266 A 70 ILE HD11 A 57 LEU HG 1.0 . 3.32 267 267 A 18 GLU HB2 A 46 SER HBy 1.0 . 3.08 268 268 A 24 GLU HB2 A 21 ILE HD1% 1.0 . 3.09 269 269 A 24 GLU HB2 A 21 ILE HD1% 1.0 . 3.09 270 270 A 17 LEU HD1% A 17 LEU HD2% 1.0 . 3.10 271 271 A 17 LEU HD2% A 17 LEU HB2 1.0 . 3.13 272 272 A 20 LEU HB2 A 20 LEU HD2% 1.0 . 3.15 273 273 A 75 LYS HBx A 73 ARG HG3 1.0 . 5.24 274 274 A 57 LEU HA A 70 ILE HD11 1.0 . 3.33 275 275 A 6 LEU HA A 9 LEU H 1.0 . 3.17 276 276 A 50 ILE HD1% A 22 GLU HG2 1.0 . 3.18 277 277 A 14 PHE HD1 A 13 ILE H 1.0 . 3.18 278 278 A 50 ILE HG1x A 47 ALA HA 1.0 . 3.19 279 279 A 22 GLU HG3 A 33 PHE HEx 1.0 . 5.28 280 280 A 20 LEU HB2 A 21 ILE H 1.0 . 3.19 281 281 A 9 LEU HD1% A 9 LEU HB3 1.0 . 3.20 282 282 A 20 LEU HB2 A 20 LEU HD2% 1.0 . 3.20 283 283 A 42 ASN HA A 45 LYS H 1.0 . 3.23 284 284 A 31 ALA HB% A 33 PHE HEx 1.0 . 3.37 285 285 A 40 PHE HDx A 63 PHE HDx 1.0 . 3.24 286 286 A 49 PHE HDx A 45 LYS HD3 1.0 . 3.24 287 287 A 56 GLU HB2 A 73 ARG HD2 1.0 . 3.24 288 288 A 42 ASN HB3 A 14 PHE HEx 1.0 . 3.25 289 289 A 17 LEU HB2 A 14 PHE HA 1.0 . 3.25 290 290 A 17 LEU HD2% A 20 LEU HD1% 1.0 . 3.26 291 291 A 28 ASN HBx A 27 PRO HD2 1.0 . 5.10 292 292 A 12 GLY H A 13 ILE H 1.0 . 3.28 293 293 A 70 ILE HG1x A 57 LEU HB3 1.0 . 3.96 294 294 A 9 LEU HB2 A 9 LEU HD2% 1.0 . 3.28 295 295 A 25 MET H A 22 GLU HA 1.0 . 3.29 296 296 A 34 MET H A 6 LEU H 1.0 . 3.29 297 297 A 47 ALA HB% A 72 VAL HG1% 1.0 . 3.73 298 298 A 17 LEU HB2 A 9 LEU HD2% 1.0 . 3.29 299 299 A 28 ASN HA A 75 LYS HBx 1.0 . 4.75 300 300 A 15 GLU HB2 A 14 PHE HEx 1.0 . 3.30 301 301 A 11 ALA HB% A 14 PHE HEx 1.0 . 3.32 302 302 A 6 LEU HD1% A 17 LEU HB3 1.0 . 3.32 303 303 A 57 LEU HDx% A 70 ILE HG1x 1.0 . 3.98 304 304 A 9 LEU HD1% A 6 LEU HD1% 1.0 . 3.33 305 305 A 13 ILE HD1% A 10 LYS HEy 1.0 . 3.33 306 306 A 57 LEU HDx% A 70 ILE HD11 1.0 . 4.26 307 307 A 14 PHE HB2 A 6 LEU HB2 1.0 . 3.34 308 308 A 14 PHE HB2 A 9 LEU HD2% 1.0 . 3.34 309 309 A 59 ASN HB2 A 58 LEU HB3 1.0 . 3.34 310 310 A 36 GLU HA A 67 ASP H 1.0 . 3.36 311 311 A 5 ASP H A 4 PHE HB2 1.0 . 5.06 312 312 A 4 PHE H A 5 ASP HA 1.0 . 5.17 313 313 A 9 LEU HD1% A 9 LEU HB2 1.0 . 3.36 314 314 A 28 ASN HBx A 27 PRO HA 1.0 . 5.50 315 315 A 12 GLY H A 14 PHE H 1.0 . 3.37 316 316 A 31 ALA HB% A 33 PHE HEx 1.0 . 4.66 317 317 A 17 LEU HD1% A 17 LEU HD2% 1.0 . 3.37 318 318 A 9 LEU HB2 A 9 LEU HD2% 1.0 . 3.37 319 319 A 36 GLU H A 36 GLU HB2 1.0 . 3.68 320 320 A 24 GLU H A 21 ILE HA 1.0 . 3.38 321 321 A 32 ILE HD11 A 71 VAL HG1% 1.0 . 4.50 322 322 A 9 LEU H A 8 PRO HA 1.0 . 3.39 323 323 A 55 HIS HD1 A 54 GLY H 1.0 . 3.39 324 324 A 45 LYS H A 44 PRO HA 1.0 . 3.41 325 325 A 49 PHE H A 46 SER HA 1.0 . 3.42 326 326 A 5 ASP H A 4 PHE HDx 1.0 . 5.37 327 327 A 57 LEU HB2 A 70 ILE HD11 1.0 . 4.30 328 328 A 17 LEU HB2 A 18 GLU H 1.0 . 3.43 329 329 A 7 ARG HGx A 67 ASP HBx 1.0 . 3.43 330 330 A 6 LEU HD2% A 4 PHE HDx 1.0 . 2.04 331 331 A 14 PHE HB2 A 9 LEU HD2% 1.0 . 3.44 332 332 A 47 ALA HB% A 72 VAL HG1% 1.0 . 4.56 333 333 A 24 GLU HB2 A 21 ILE HA 1.0 . 3.45 334 334 A 48 GLU H A 47 ALA HA 1.0 . 3.49 335 335 A 18 GLU H A 17 LEU HA 1.0 . 3.46 336 336 A 23 LYS H A 22 GLU HA 1.0 . 3.46 337 337 A 17 LEU HD1% A 17 LEU HB3 1.0 . 3.46 338 338 A 40 PHE HDx A 63 PHE HEx 1.0 . 3.46 339 339 A 61 LEU HD1% A 61 LEU HB2 1.0 . 3.46 340 340 A 70 ILE HG1x A 57 LEU HD21 1.0 . 5.04 341 341 A 63 PHE HEx A 40 PHE HEx 1.0 . 3.47 342 342 A 49 PHE HDx A 49 PHE HA 1.0 . 3.47 343 343 A 42 ASN HA A 43 ILE H 1.0 . 3.48 344 344 A 50 ILE H A 49 PHE HA 1.0 . 3.48 345 345 A 65 GLN H A 64 ASN HA 1.0 . 3.48 346 346 A 55 HIS HB2 A 72 VAL HG1% 1.0 . 3.29 347 347 A 9 LEU HB2 A 6 LEU HD1% 1.0 . 3.48 348 348 A 61 LEU HB2 A 70 ILE HB 1.0 . 3.48 349 349 A 14 PHE HA A 15 GLU H 1.0 . 3.49 350 350 A 16 ARG HB2 A 16 ARG HG2 1.0 . 2.95 351 351 A 25 MET H A 24 GLU HA 1.0 . 3.52 352 352 A 25 MET HA A 25 MET HE1 1.0 . 3.52 353 353 A 55 HIS HE1 A 48 GLU HG2 1.0 . 3.52 354 354 A 74 LYS H A 29 GLU HA 1.0 . 5.36 355 355 A 43 ILE HD1% A 43 ILE HA 1.0 . 3.53 356 356 A 17 LEU HD1% A 17 LEU HB2 1.0 . 3.53 357 357 A 55 HIS HB2 A 56 GLU H 1.0 . 3.54 358 358 A 55 HIS HA A 74 LYS HA 1.0 . 3.54 359 359 A 17 LEU H A 16 ARG HA 1.0 . 3.55 360 360 A 55 HIS HD1 A 48 GLU HA 1.0 . 3.55 361 361 A 65 GLN HB2 A 66 ALA H 1.0 . 3.56 362 362 A 21 ILE HD1% A 21 ILE HB 1.0 . 3.57 363 363 A 49 PHE HDx A 49 PHE HB3 1.0 . 3.57 364 364 A 33 PHE HDx A 31 ALA HB% 1.0 . 5.11 365 365 A 40 PHE HBx A 63 PHE HB2 1.0 . 3.57 366 366 A 7 ARG HA A 35 PHE HA 1.0 . 3.57 367 367 A 18 GLU HB2 A 19 GLU H 1.0 . 3.58 368 368 A 67 ASP HBx A 67 ASP H 1.0 . 3.58 369 369 A 62 ARG HA A 68 TRP HD1 1.0 . 5.24 370 370 A 18 GLU H A 15 GLU HA 1.0 . 3.59 371 371 A 12 GLY H A 15 GLU H 1.0 . 3.59 372 372 A 61 LEU HB2 A 61 LEU H 1.0 . 3.59 373 373 A 58 LEU HB2 A 58 LEU HD2% 1.0 . 4.33 374 374 A 19 GLU HG3 A 50 ILE HD1% 1.0 . 3.60 375 375 A 30 VAL H A 30 VAL HG1% 1.0 . 3.61 376 376 A 50 ILE HG1x A 49 PHE HB3 1.0 . 3.61 377 377 A 23 LYS HB2 A 20 LEU HA 1.0 . 3.61 378 378 A 74 LYS H A 74 LYS HB2 1.0 . 2.15 379 379 A 35 PHE HEx A 35 PHE HB3 1.0 . 5.26 380 380 A 40 PHE HDx A 41 SER H 1.0 . 3.62 381 381 A 35 PHE HEx A 35 PHE HDy 1.0 . 5.42 382 382 A 48 GLU HB2 A 48 GLU HG3 1.0 . 2.27 383 383 A 49 PHE HDx A 46 SER HA 1.0 . 3.64 384 384 A 40 PHE H A 40 PHE HBx 1.0 . 3.64 385 385 A 47 ALA HB% A 57 LEU HD21 1.0 . 3.64 386 386 A 36 GLU H A 35 PHE HB2 1.0 . 3.35 387 387 A 63 PHE HA A 65 GLN H 1.0 . 3.65 388 388 A 17 LEU HB2 A 6 LEU HD1% 1.0 . 3.65 389 389 A 57 LEU HA A 70 ILE HG1x 1.0 . 5.50 390 390 A 40 PHE HDx A 40 PHE HBx 1.0 . 3.65 391 391 A 40 PHE HDx A 40 PHE HBx 1.0 . 3.65 392 392 A 45 LYS HB2 A 44 PRO HGx 1.0 . 3.65 393 393 A 45 LYS HB2 A 46 SER H 1.0 . 3.65 394 394 A 47 ALA HB% A 57 LEU HD21 1.0 . 3.65 395 395 A 62 ARG H A 63 PHE H 1.0 . 3.66 396 396 A 9 LEU HD1% A 9 LEU H 1.0 . 3.66 397 397 A 73 ARG HB2 A 58 LEU HD1% 1.0 . 4.60 398 398 A 73 ARG H A 72 VAL HA 1.0 . 2.14 399 399 A 58 LEU H A 70 ILE HD11 1.0 . 4.57 400 400 A 58 LEU HD1% A 58 LEU HA 1.0 . 4.60 401 401 A 7 ARG H A 6 LEU HB2 1.0 . 3.67 402 402 A 36 GLU H A 37 VAL H 1.0 . 2.13 403 403 A 42 ASN H A 40 PHE HA 1.0 . 3.69 404 404 A 13 ILE HD1% A 10 LYS HDx 1.0 . 3.69 405 405 A 47 ALA HB% A 55 HIS HB2 1.0 . 3.69 406 406 A 33 PHE HB2 A 43 ILE HD1% 1.0 . 3.73 407 407 A 32 ILE HA A 33 PHE H 1.0 . 2.16 408 408 A 70 ILE HD11 A 59 ASN HB3 1.0 . 4.54 409 409 A 58 LEU H A 58 LEU HD1% 1.0 . 5.21 410 410 A 48 GLU H A 46 SER H 1.0 . 3.75 411 411 A 7 ARG HBx A 34 MET HB3 1.0 . 3.75 412 412 A 33 PHE HB2 A 32 ILE HA 1.0 . 5.24 413 413 A 44 PRO HA A 47 ALA H 1.0 . 3.76 414 414 A 58 LEU H A 59 ASN H 1.0 . 2.84 415 415 A 2 LYS HD2 A 30 VAL HG1% 1.0 . 3.76 416 416 A 16 ARG HB2 A 16 ARG HA 1.0 . 2.96 417 417 A 22 GLU HB2 A 50 ILE HG1y 1.0 . 3.77 418 418 A 19 GLU H A 17 LEU HA 1.0 . 3.78 419 419 A 37 VAL HGx% A 11 ALA HB% 1.0 . 3.78 420 420 A 23 LYS H A 22 GLU HB2 1.0 . 3.78 421 421 A 45 LYS HB2 A 45 LYS HD3 1.0 . 3.78 422 422 A 61 LEU HB2 A 63 PHE H 1.0 . 3.78 423 423 A 56 GLU H A 75 LYS HBx 1.0 . 5.39 424 424 A 56 GLU H A 72 VAL HG1% 1.0 . 3.48 425 425 A 15 GLU HB3 A 14 PHE HEx 1.0 . 3.80 426 426 A 49 PHE H A 49 PHE HDx 1.0 . 3.80 427 427 A 46 SER HB2 A 47 ALA HA 1.0 . 3.80 428 428 A 52 SER HB2 A 53 LYS H 1.0 . 3.80 429 429 A 61 LEU HB2 A 63 PHE HB3 1.0 . 3.80 430 430 A 21 ILE H A 18 GLU HA 1.0 . 3.81 431 431 A 7 ARG H A 9 LEU H 1.0 . 3.81 432 432 A 32 ILE HD11 A 30 VAL HG1% 1.0 . 3.81 433 433 A 68 TRP HBx A 65 GLN H 1.0 . 5.22 434 434 A 55 HIS HB2 A 55 HIS HD1 1.0 . 3.81 435 435 A 55 HIS HB2 A 55 HIS HD1 1.0 . 3.81 436 436 A 25 MET HGy A 25 MET HE1 1.0 . 3.82 437 437 A 19 GLU H A 16 ARG HA 1.0 . 3.83 438 438 A 45 LYS H A 43 ILE H 1.0 . 3.83 439 439 A 61 LEU HA A 70 ILE HA 1.0 . 3.83 440 440 A 50 ILE HG1x A 19 GLU HB2 1.0 . 3.84 441 441 A 49 PHE HEx A 45 LYS HD3 1.0 . 3.84 442 442 A 50 ILE HG1x A 19 GLU HB2 1.0 . 3.84 443 443 A 35 PHE H A 36 GLU HA 1.0 . 5.23 444 444 A 51 GLN HA A 53 LYS H 1.0 . 3.85 445 445 A 35 PHE HB2 A 36 GLU HA 1.0 . 5.39 446 446 A 35 PHE HEx A 43 ILE HD1% 1.0 . 3.85 447 447 A 35 PHE HB2 A 36 GLU HGx 1.0 . 5.48 448 448 A 42 ASN HB2 A 39 ASP HB3 1.0 . 3.85 449 449 A 61 LEU HB2 A 61 LEU HD2% 1.0 . 3.85 450 450 A 11 ALA HA A 13 ILE H 1.0 . 3.86 451 451 A 32 ILE HA A 71 VAL H 1.0 . 4.71 452 452 A 48 GLU HB2 A 55 HIS HE1 1.0 . 3.86 453 453 A 18 GLU HB2 A 46 SER HB2 1.0 . 3.86 454 454 A 23 LYS HB2 A 23 LYS HD3 1.0 . 3.86 455 455 A 36 GLU HB2 A 37 VAL H 1.0 . 4.38 456 456 A 48 GLU H A 48 GLU HB2 1.0 . 2.46 457 457 A 58 LEU HB2 A 59 ASN H 1.0 . 3.05 458 458 A 61 LEU HD1% A 43 ILE HG1x 1.0 . 3.87 459 459 A 35 PHE HB2 A 37 VAL H 1.0 . 3.15 460 460 A 4 PHE H A 3 ARG H 1.0 . 4.66 461 461 A 48 GLU HB2 A 48 GLU HA 1.0 . 2.53 462 462 A 48 GLU H A 48 GLU HA 1.0 . 2.86 463 463 A 33 PHE HDx A 33 PHE HB2 1.0 . 2.34 464 464 A 33 PHE HDx A 33 PHE HB2 1.0 . 2.34 465 465 A 61 LEU HD1% A 63 PHE HB2 1.0 . 3.88 466 466 A 42 ASN H A 40 PHE H 1.0 . 3.89 467 467 A 36 GLU HB2 A 37 VAL HA 1.0 . 5.15 468 468 A 40 PHE HBx A 61 LEU HG 1.0 . 3.91 469 469 A 6 LEU HA A 14 PHE HB2 1.0 . 3.94 470 470 A 28 ASN HA A 28 ASN H 1.0 . 2.92 471 471 A 26 GLN H A 25 MET HE1 1.0 . 3.95 472 472 A 35 PHE HB2 A 37 VAL HB 1.0 . 3.95 473 473 A 43 ILE HD1% A 35 PHE HDx 1.0 . 2.81 474 474 A 55 HIS HB2 A 47 ALA HA 1.0 . 3.95 475 475 A 23 LYS H A 21 ILE H 1.0 . 3.96 476 476 A 60 SER HA A 70 ILE HD11 1.0 . 4.70 477 477 A 6 LEU HD2% A 4 PHE HB2 1.0 . 4.73 478 478 A 17 LEU HD1% A 17 LEU HB2 1.0 . 3.96 479 479 A 13 ILE HG12 A 16 ARG HD3 1.0 . 3.97 480 480 A 50 ILE HG1x A 19 GLU HG3 1.0 . 3.97 481 481 A 26 GLN H A 25 MET HB2 1.0 . 3.97 482 482 A 70 ILE HG1x A 61 LEU HD2% 1.0 . 3.28 483 483 A 6 LEU HD1% A 4 PHE HEx 1.0 . 5.26 484 484 A 35 PHE HEx A 43 ILE HG1y 1.0 . 3.62 485 485 A 35 PHE HEx A 43 ILE HD1% 1.0 . 3.85 486 486 A 57 LEU HDx% A 57 LEU HB2 1.0 . 4.45 487 487 A 15 GLU HB2 A 14 PHE HD1 1.0 . 3.98 488 488 A 15 GLU HB3 A 14 PHE HD1 1.0 . 3.98 489 489 A 29 GLU HB2 A 29 GLU H 1.0 . 2.30 490 490 A 9 LEU HD1% A 4 PHE HEx 1.0 . 3.98 491 491 A 15 GLU H A 13 ILE H 1.0 . 4.26 492 492 A 58 LEU HB2 A 59 ASN HB2 1.0 . 5.08 493 493 A 70 ILE HG1x A 61 LEU HB3 1.0 . 3.47 494 494 A 55 HIS HD1 A 51 GLN HB3 1.0 . 4.26 495 495 A 25 MET HB2 A 74 LYS HDy 1.0 . 4.26 496 496 A 57 LEU HA A 72 VAL HG1% 1.0 . 5.25 497 497 A 16 ARG H A 14 PHE H 1.0 . 4.27 498 498 A 14 PHE HA A 14 PHE HD1 1.0 . 4.27 499 499 A 57 LEU HDx% A 57 LEU HB2 1.0 . 4.45 500 500 A 23 LYS H A 25 MET H 1.0 . 4.28 501 501 A 29 GLU HB2 A 25 MET HE1 1.0 . 4.28 502 502 A 52 SER HA A 55 HIS HD1 1.0 . 4.28 503 503 A 44 PRO HA A 46 SER H 1.0 . 4.29 504 504 A 9 LEU HB2 A 6 LEU HD1% 1.0 . 4.33 505 505 A 58 LEU HB2 A 71 VAL HB 1.0 . 3.53 506 506 A 32 ILE HD11 A 71 VAL HG1% 1.0 . 5.06 507 507 A 43 ILE HD1% A 35 PHE HDx 1.0 . 5.04 508 508 A 20 LEU H A 20 LEU HD1% 1.0 . 4.34 509 509 A 15 GLU HB2 A 46 SER HBy 1.0 . 4.34 510 510 A 16 ARG H A 15 GLU HB2 1.0 . 4.35 511 511 A 47 ALA HB% A 46 SER HB2 1.0 . 4.35 512 512 A 23 LYS H A 20 LEU HA 1.0 . 4.36 513 513 A 24 GLU H A 21 ILE HD1% 1.0 . 4.36 514 514 A 63 PHE HDx A 63 PHE HA 1.0 . 4.36 515 515 A 74 LYS HB2 A 74 LYS HA 1.0 . 2.96 516 516 A 55 HIS HE1 A 53 LYS HA 1.0 . 4.37 517 517 A 35 PHE HB2 A 43 ILE HD1% 1.0 . 4.37 518 518 A 20 LEU HB2 A 19 GLU H 1.0 . 4.37 519 519 A 35 PHE HDx A 43 ILE HG1x 1.0 . 5.13 520 520 A 56 GLU HB2 A 73 ARG HG2 1.0 . 4.37 521 521 A 62 ARG H A 69 THR H 1.0 . 4.38 522 522 A 57 LEU HDx% A 72 VAL HG1% 1.0 . 5.25 523 523 A 17 LEU HD2% A 20 LEU HD1% 1.0 . 4.38 524 524 A 11 ALA HB% A 14 PHE HD1 1.0 . 4.38 525 525 A 16 ARG HB2 A 16 ARG HD2 1.0 . 3.39 526 526 A 32 ILE HA A 31 ALA H 1.0 . 5.21 527 527 A 15 GLU HA A 46 SER HB2 1.0 . 4.39 528 528 A 20 LEU H A 18 GLU HA 1.0 . 4.40 529 529 A 19 GLU HA A 21 ILE H 1.0 . 4.40 530 530 A 72 VAL HG1% A 57 LEU HD21 1.0 . 5.37 531 531 A 55 HIS HE1 A 55 HIS H 1.0 . 4.40 532 532 A 22 GLU HB2 A 50 ILE HD1% 1.0 . 4.40 533 533 A 55 HIS HD2 A 55 HIS HD1 1.0 . 4.40 534 534 A 22 GLU HB2 A 50 ILE HD1% 1.0 . 4.40 535 535 A 32 ILE HA A 31 ALA HB% 1.0 . 5.27 536 536 A 31 ALA HB% A 33 PHE HEx 1.0 . 3.37 537 537 A 68 TRP H A 67 ASP HA 1.0 . 2.15 538 538 A 17 LEU HD1% A 20 LEU HG 1.0 . 4.41 539 539 A 61 LEU HB2 A 35 PHE HEx 1.0 . 2.42 540 540 A 55 HIS HA A 55 HIS HD1 1.0 . 4.42 541 541 A 49 PHE HB2 A 19 GLU HB2 1.0 . 4.42 542 542 A 58 LEU H A 72 VAL HA 1.0 . 3.60 543 543 A 58 LEU H A 57 LEU H 1.0 . 4.52 544 544 A 68 TRP HD1 A 68 TRP HB3 1.0 . 2.55 545 545 A 42 ASN HB2 A 39 ASP HA 1.0 . 4.45 546 546 A 58 LEU H A 57 LEU HB2 1.0 . 4.70 547 547 A 19 GLU H A 21 ILE H 1.0 . 4.46 548 548 A 35 PHE HEx A 61 LEU HB3 1.0 . 3.26 549 549 A 17 LEU HD1% A 20 LEU HD1% 1.0 . 4.46 550 550 A 20 LEU HD1% A 20 LEU HA 1.0 . 4.46 551 551 A 68 TRP HD1 A 68 TRP HE1 1.0 . 2.57 552 552 A 20 LEU HB2 A 17 LEU HB3 1.0 . 4.46 553 553 A 29 GLU HB2 A 29 GLU HA 1.0 . 2.89 554 554 A 49 PHE H A 50 ILE HG1x 1.0 . 4.47 555 555 A 58 LEU HB2 A 72 VAL HA 1.0 . 5.33 556 556 A 61 LEU HD1% A 35 PHE HEx 1.0 . 3.49 557 557 A 55 HIS HA A 56 GLU HB2 1.0 . 4.47 558 558 A 63 PHE HB2 A 40 PHE HA 1.0 . 4.47 559 559 A 21 ILE HG12 A 25 MET HGx 1.0 . 4.48 560 560 A 50 ILE HG1x A 19 GLU HG2 1.0 . 4.48 561 561 A 64 ASN HA A 63 PHE HEx 1.0 . 4.48 562 562 A 13 ILE HD1% A 10 LYS HG2 1.0 . 4.48 563 563 A 21 ILE HD1% A 24 GLU HGx 1.0 . 4.48 564 564 A 9 LEU HD1% A 4 PHE HDx 1.0 . 5.34 565 565 A 55 HIS HD2 A 55 HIS HE1 1.0 . 4.49 566 566 A 17 LEU HD1% A 4 PHE HEx 1.0 . 4.49 567 567 A 17 LEU H A 16 ARG H 1.0 . 2.54 568 568 A 22 GLU HB2 A 21 ILE H 1.0 . 4.49 569 569 A 74 LYS HB2 A 74 LYS HDx 1.0 . 3.68 570 570 A 49 PHE H A 47 ALA HA 1.0 . 4.50 571 571 A 30 VAL HA A 30 VAL HG1% 1.0 . 4.50 572 572 A 71 VAL HG1% A 32 ILE H 1.0 . 5.44 573 573 A 17 LEU HD1% A 20 LEU H 1.0 . 4.50 574 574 A 43 ILE HD1% A 43 ILE HB 1.0 . 4.50 575 575 A 4 PHE HEx A 17 LEU HB3 1.0 . 2.04 576 576 A 17 LEU HD2% A 20 LEU HB2 1.0 . 4.50 577 577 A 42 ASN H A 41 SER HBx 1.0 . 4.50 578 578 A 45 LYS HA A 44 PRO HB2 1.0 . 4.50 579 579 A 35 PHE HEx A 61 LEU HA 1.0 . 3.63 580 580 A 17 LEU HD1% A 4 PHE HEx 1.0 . 2.53 581 581 A 61 LEU HB2 A 35 PHE HDx 1.0 . 5.15 582 582 A 49 PHE HDx A 49 PHE HDy 1.0 . 4.51 583 583 A 55 HIS HB2 A 57 LEU HD21 1.0 . 4.51 584 584 A 74 LYS HB2 A 75 LYS H 1.0 . 4.36 585 585 A 57 LEU HA A 58 LEU HA 1.0 . 4.71 586 586 A 57 LEU HB2 A 59 ASN H 1.0 . 5.30 587 587 A 61 LEU HD1% A 35 PHE HEx 1.0 . 5.17 588 588 A 61 LEU HD1% A 35 PHE HDx 1.0 . 5.38 589 589 A 26 GLN H A 29 GLU H 1.0 . 4.53 590 590 A 32 ILE H A 32 ILE HG12 1.0 . 4.30 591 591 A 19 GLU HB2 A 18 GLU HB3 1.0 . 4.53 592 592 A 26 GLN HBx A 25 MET HA 1.0 . 4.53 593 593 A 60 SER H A 59 ASN H 1.0 . 4.54 594 594 A 47 ALA HB% A 48 GLU HB2 1.0 . 4.54 595 595 A 33 PHE HDx A 31 ALA HB% 1.0 . 5.11 596 596 A 17 LEU H A 19 GLU H 1.0 . 4.55 597 597 A 57 LEU HDx% A 72 VAL HG1% 1.0 . 5.50 598 598 A 72 VAL H A 71 VAL HA 1.0 . 2.14 599 599 A 58 LEU HD1% A 73 ARG HB3 1.0 . 3.28 600 600 A 3 ARG HA A 31 ALA HA 1.0 . 3.36 601 601 A 49 PHE HB2 A 48 GLU H 1.0 . 4.56 602 602 A 23 LYS H A 19 GLU HA 1.0 . 4.57 603 603 A 56 GLU H A 72 VAL HA 1.0 . 4.57 604 604 A 4 PHE HEx A 17 LEU HG 1.0 . 3.42 605 605 A 22 GLU HB2 A 19 GLU HG2 1.0 . 4.57 606 606 A 24 GLU HB2 A 23 LYS HB3 1.0 . 4.57 607 607 A 17 LEU HD1% A 4 PHE HEx 1.0 . 3.57 608 608 A 33 PHE HB2 A 33 PHE HEx 1.0 . 5.12 609 609 A 28 ASN H A 28 ASN HBx 1.0 . 2.93 610 610 A 33 PHE HB2 A 33 PHE HEx 1.0 . 5.12 611 611 A 34 MET HA A 34 MET HE1 1.0 . 4.33 612 612 A 61 LEU HA A 60 SER HA 1.0 . 4.58 613 613 A 70 ILE H A 69 THR H 1.0 . 4.61 614 614 A 13 ILE HG12 A 10 LYS HDx 1.0 . 4.61 615 615 A 50 ILE HD1% A 23 LYS HA 1.0 . 4.61 616 616 A 33 PHE HDx A 33 PHE HA 1.0 . 5.17 617 617 A 33 PHE HEx A 33 PHE HDy 1.0 . 5.42 618 618 A 40 PHE HBx A 63 PHE H 1.0 . 4.61 619 619 A 28 ASN H A 29 GLU H 1.0 . 2.28 620 620 A 72 VAL HG1% A 72 VAL HB 1.0 . 2.64 621 621 A 17 LEU HB2 A 9 LEU HD1% 1.0 . 4.62 622 622 A 18 GLU HB2 A 6 LEU HG 1.0 . 4.62 623 623 A 59 ASN HA A 60 SER HA 1.0 . 4.62 624 624 A 61 LEU HD1% A 63 PHE H 1.0 . 4.63 625 625 A 34 MET H A 33 PHE H 1.0 . 4.47 626 626 A 35 PHE HEx A 62 ARG H 1.0 . 3.87 627 627 A 57 LEU HA A 56 GLU HA 1.0 . 4.63 628 628 A 55 HIS HA A 56 GLU HA 1.0 . 4.64 629 629 A 70 ILE HG1x A 61 LEU HD2% 1.0 . 5.47 630 630 A 3 ARG HB2 A 32 ILE HB 1.0 . 2.45 631 631 A 17 LEU HB2 A 4 PHE HEx 1.0 . 3.72 632 632 A 31 ALA HB% A 33 PHE HDy 1.0 . 5.19 633 633 A 34 MET H A 34 MET HE1 1.0 . 4.57 634 634 A 69 THR HA A 70 ILE HA 1.0 . 4.65 635 635 A 71 VAL HG1% A 32 ILE HB 1.0 . 5.48 636 636 A 22 GLU H A 18 GLU HA 1.0 . 4.66 637 637 A 32 ILE HD11 A 32 ILE HA 1.0 . 5.20 638 638 A 3 ARG HB2 A 32 ILE H 1.0 . 3.70 639 639 A 57 LEU HA A 71 VAL H 1.0 . 5.36 640 640 A 33 PHE HB2 A 34 MET H 1.0 . 4.61 641 641 A 61 LEU HD1% A 70 ILE HB 1.0 . 4.66 642 642 A 17 LEU H A 18 GLU HB2 1.0 . 4.66 643 643 A 34 MET HA A 35 PHE HA 1.0 . 4.65 644 644 A 32 ILE H A 33 PHE H 1.0 . 4.53 645 645 A 34 MET HB2 A 35 PHE H 1.0 . 4.66 646 646 A 9 LEU HB2 A 14 PHE HA 1.0 . 4.67 647 647 A 30 VAL HA A 31 ALA HA 1.0 . 4.67 648 648 A 73 ARG HB2 A 73 ARG H 1.0 . 3.66 649 649 A 7 ARG HA A 37 VAL H 1.0 . 4.68 650 650 A 4 PHE HDx A 17 LEU HB3 1.0 . 3.72 651 651 A 9 LEU HD1% A 8 PRO HDx 1.0 . 4.68 652 652 A 9 LEU HB2 A 7 ARG H 1.0 . 4.68 653 653 A 35 PHE HEx A 63 PHE HB3 1.0 . 5.38 654 654 A 3 ARG HA A 2 LYS HB2 1.0 . 5.26 655 655 A 17 LEU HD1% A 4 PHE HEx 1.0 . 4.49 656 656 A 19 GLU HB2 A 49 PHE HDy 1.0 . 4.69 657 657 A 23 LYS HB2 A 21 ILE HA 1.0 . 4.69 658 658 A 24 GLU HB2 A 21 ILE HG13 1.0 . 4.69 659 659 A 70 ILE H A 69 THR HA 1.0 . 2.19 660 660 A 4 PHE HEx A 17 LEU HA 1.0 . 4.72 661 661 A 61 LEU HB2 A 70 ILE HD11 1.0 . 4.72 662 662 A 4 PHE HDx A 18 GLU HG3 1.0 . 3.60 663 663 A 70 ILE HD11 A 70 ILE HG13 1.0 . 2.21 664 664 A 4 PHE HB2 A 18 GLU HG3 1.0 . 3.81 665 665 A 4 PHE HEx A 18 GLU HA 1.0 . 3.84 666 666 A 28 ASN HBx A 29 GLU H 1.0 . 4.71 667 667 A 61 LEU HB2 A 68 TRP HD1 1.0 . 4.73 668 668 A 73 ARG H A 72 VAL HG1% 1.0 . 2.62 669 669 A 10 LYS HA A 11 ALA HB% 1.0 . 4.74 670 670 A 15 GLU HGy A 46 SER HB2 1.0 . 4.74 671 671 A 3 ARG HA A 32 ILE HA 1.0 . 4.75 672 672 A 6 LEU H A 5 ASP HB2 1.0 . 5.14 673 673 A 49 PHE HB2 A 50 ILE HG1x 1.0 . 4.75 674 674 A 61 LEU HD1% A 61 LEU HA 1.0 . 4.75 675 675 A 3 ARG H A 32 ILE H 1.0 . 5.19 676 676 A 50 ILE HG1x A 22 GLU HB2 1.0 . 5.01 677 677 A 2 LYS HB2 A 30 VAL H 1.0 . 4.68 678 678 A 32 ILE HD11 A 3 ARG HB2 1.0 . 5.30 679 679 A 19 GLU HB2 A 16 ARG HA 1.0 . 5.01 680 680 A 40 PHE HBx A 63 PHE HDx 1.0 . 5.01 681 681 A 55 HIS HB2 A 57 LEU HDx% 1.0 . 5.01 682 682 A 30 VAL HA A 29 GLU HA 1.0 . 4.62 683 683 A 68 TRP H A 67 ASP H 1.0 . 5.02 684 684 A 4 PHE HB2 A 18 GLU HA 1.0 . 4.69 685 685 A 67 ASP HA A 35 PHE H 1.0 . 4.53 686 686 A 23 LYS HB2 A 22 GLU H 1.0 . 5.02 687 687 A 56 GLU HB2 A 73 ARG HD3 1.0 . 5.02 688 688 A 57 LEU HDx% A 70 ILE HG13 1.0 . 2.37 689 689 A 64 ASN HB2 A 65 GLN HA 1.0 . 5.02 690 690 A 67 ASP HBx A 35 PHE HA 1.0 . 5.02 691 691 A 28 ASN HA A 29 GLU HA 1.0 . 5.02 692 692 A 11 ALA H A 10 LYS H 1.0 . 5.03 693 693 A 31 ALA H A 30 VAL H 1.0 . 5.03 694 694 A 34 MET H A 35 PHE H 1.0 . 5.03 695 695 A 33 PHE HB2 A 35 PHE HDx 1.0 . 5.13 696 696 A 50 ILE H A 50 ILE HD1% 1.0 . 5.03 697 697 A 2 LYS HB2 A 31 ALA HA 1.0 . 3.52 698 698 A 56 GLU HB2 A 57 LEU H 1.0 . 5.03 699 699 A 74 LYS HA A 75 LYS HA 1.0 . 5.03 700 700 A 19 GLU HB2 A 50 ILE HD1% 1.0 . 5.04 701 701 A 35 PHE HEx A 68 TRP HB3 1.0 . 2.65 702 702 A 11 ALA HB% A 14 PHE HEx 1.0 . 5.04 703 703 A 74 LYS HB2 A 25 MET HB2 1.0 . 5.04 704 704 A 40 PHE HBx A 43 ILE HG1y 1.0 . 5.04 705 705 A 59 ASN HB2 A 58 LEU HD2% 1.0 . 5.04 706 706 A 7 ARG HA A 67 ASP HBx 1.0 . 5.04 707 707 A 58 LEU H A 73 ARG H 1.0 . 3.76 708 708 A 6 LEU H A 33 PHE HA 1.0 . 5.05 709 709 A 33 PHE HB2 A 35 PHE HB3 1.0 . 5.50 710 710 A 65 GLN HA A 64 ASN HA 1.0 . 5.05 711 711 A 62 ARG H A 61 LEU H 1.0 . 5.06 712 712 A 16 ARG HB2 A 13 ILE HG12 1.0 . 5.06 713 713 A 41 SER H A 40 PHE HEx 1.0 . 5.06 714 714 A 18 GLU H A 4 PHE HEx 1.0 . 5.02 715 715 A 73 ARG HB2 A 74 LYS H 1.0 . 3.66 716 716 A 2 LYS HA A 31 ALA HA 1.0 . 4.68 717 717 A 15 GLU HB2 A 42 ASN HA 1.0 . 5.07 718 718 A 73 ARG H A 74 LYS H 1.0 . 4.53 719 719 A 40 PHE HEx A 41 SER HBy 1.0 . 5.08 720 720 A 33 PHE HB2 A 43 ILE HD1% 1.0 . 3.57 721 721 A 58 LEU HB2 A 73 ARG HG2 1.0 . 3.86 722 722 A 7 ARG HA A 6 LEU H 1.0 . 5.09 723 723 A 18 GLU HB2 A 6 LEU HD1% 1.0 . 5.09 724 724 A 18 GLU HB2 A 6 LEU HD1% 1.0 . 5.09 725 725 A 18 GLU H A 4 PHE HDx 1.0 . 5.15 726 726 A 34 MET HA A 69 THR HA 1.0 . 2.33 727 727 A 28 ASN HA A 73 ARG HA 1.0 . 5.43 728 728 A 33 PHE HB2 A 43 ILE HD1% 1.0 . 3.73 729 729 A 33 PHE HDx A 43 ILE HD1% 1.0 . 4.57 730 730 A 57 LEU HD21 A 44 PRO HB2 1.0 . 5.12 731 731 A 49 PHE HB2 A 49 PHE HEx 1.0 . 5.12 732 732 A 30 VAL H A 29 GLU H 1.0 . 5.02 733 733 A 12 GLY H A 11 ALA H 1.0 . 5.13 734 734 A 32 ILE HA A 33 PHE HA 1.0 . 4.66 735 735 A 34 MET HB2 A 69 THR HA 1.0 . 4.43 736 736 A 17 LEU H A 6 LEU HD1% 1.0 . 5.13 737 737 A 33 PHE HDx A 43 ILE HD1% 1.0 . 5.42 738 738 A 68 TRP H A 35 PHE H 1.0 . 3.18 739 739 A 68 TRP HBx A 35 PHE HEx 1.0 . 3.99 740 740 A 46 SER HB2 A 33 PHE HEx 1.0 . 4.58 741 741 A 47 ALA HB% A 55 HIS HB3 1.0 . 5.13 742 742 A 51 GLN HA A 50 ILE HA 1.0 . 5.13 743 743 A 25 MET H A 21 ILE HA 1.0 . 5.14 744 744 A 74 LYS H A 75 LYS H 1.0 . 5.14 745 745 A 49 PHE HDx A 45 LYS HG2 1.0 . 5.14 746 746 A 7 ARG H A 5 ASP HB2 1.0 . 5.37 747 747 A 23 LYS HB2 A 24 GLU HB2 1.0 . 5.14 748 748 A 33 PHE HDx A 46 SER HB2 1.0 . 4.61 749 749 A 47 ALA HB% A 33 PHE HEx 1.0 . 3.88 750 750 A 47 ALA HA A 33 PHE HEx 1.0 . 4.47 751 751 A 63 PHE HB2 A 63 PHE HEx 1.0 . 5.15 752 752 A 61 LEU HD1% A 61 LEU H 1.0 . 5.15 753 753 A 18 GLU HB2 A 4 PHE HDx 1.0 . 5.20 754 754 A 47 ALA HB% A 33 PHE HDx 1.0 . 5.15 755 755 A 6 LEU HB2 A 34 MET HB3 1.0 . 5.15 756 756 A 36 GLU HB2 A 67 ASP H 1.0 . 3.86 757 757 A 63 PHE HB2 A 63 PHE HEx 1.0 . 5.15 758 758 A 73 ARG HA A 74 LYS HA 1.0 . 4.67 759 759 A 74 LYS HB2 A 25 MET HB3 1.0 . 4.51 760 760 A 49 PHE H A 46 SER H 1.0 . 5.16 761 761 A 10 LYS HG3 A 13 ILE HG12 1.0 . 5.16 762 762 A 40 PHE HEx A 40 PHE HB3 1.0 . 5.16 763 763 A 62 ARG HBy A 63 PHE H 1.0 . 5.16 764 764 A 21 ILE HA A 20 LEU HA 1.0 . 5.16 765 765 A 20 LEU HB2 A 4 PHE HEx 1.0 . 5.45 766 766 A 32 ILE HG13 A 30 VAL HG1% 1.0 . 5.17 767 767 A 57 LEU HDx% A 33 PHE HDx 1.0 . 5.29 768 768 A 21 ILE HG12 A 4 PHE HB2 1.0 . 4.25 769 769 A 32 ILE HG12 A 69 THR HB 1.0 . 3.67 770 770 A 10 LYS HG3 A 13 ILE HD1% 1.0 . 5.18 771 771 A 57 LEU HDx% A 70 ILE HD11 1.0 . 3.33 772 772 A 49 PHE HDx A 45 LYS HD2 1.0 . 5.18 773 773 A 63 PHE HDx A 63 PHE H 1.0 . 5.18 774 774 A 2 LYS HB2 A 32 ILE H 1.0 . 4.63 775 775 A 32 ILE HA A 3 ARG HB2 1.0 . 5.31 776 776 A 49 PHE HB2 A 15 GLU HGx 1.0 . 5.18 777 777 A 49 PHE HB2 A 46 SER HBy 1.0 . 5.18 778 778 A 33 PHE HA A 3 ARG HB2 1.0 . 4.56 779 779 A 32 ILE HA A 70 ILE HA 1.0 . 5.40 780 780 A 70 ILE H A 33 PHE H 1.0 . 2.73 781 781 A 22 GLU HB2 A 18 GLU HB3 1.0 . 5.19 782 782 A 31 ALA HB% A 71 VAL HA 1.0 . 5.30 783 783 A 45 LYS HB2 A 42 ASN HB3 1.0 . 5.19 784 784 A 55 HIS HB2 A 56 GLU HA 1.0 . 5.19 785 785 A 14 PHE HA A 15 GLU HA 1.0 . 5.19 786 786 A 11 ALA HA A 15 GLU H 1.0 . 5.20 787 787 A 70 ILE HG1x A 70 ILE HA 1.0 . 3.74 788 788 A 32 ILE HA A 71 VAL HA 1.0 . 2.60 789 789 A 23 LYS H A 50 ILE HD1% 1.0 . 5.20 790 790 A 70 ILE H A 70 ILE HG1x 1.0 . 5.38 791 791 A 4 PHE HB2 A 21 ILE HB 1.0 . 5.39 792 792 A 49 PHE HDx A 15 GLU HGx 1.0 . 5.21 793 793 A 68 TRP HBx A 68 TRP HD1 1.0 . 3.63 794 794 A 23 LYS HB2 A 22 GLU HB3 1.0 . 5.21 795 795 A 18 GLU H A 15 GLU H 1.0 . 5.22 796 796 A 21 ILE HG12 A 21 ILE H 1.0 . 5.22 797 797 A 25 MET HB2 A 25 MET HE1 1.0 . 5.22 798 798 A 68 TRP HD1 A 68 TRP HA 1.0 . 4.45 799 799 A 40 PHE HDx A 63 PHE HB3 1.0 . 5.22 800 800 A 22 GLU HB2 A 19 GLU H 1.0 . 5.22 801 801 A 61 LEU HB2 A 40 PHE HBx 1.0 . 5.22 802 802 A 65 GLN HB2 A 64 ASN H 1.0 . 5.22 803 803 A 68 TRP HE1 A 68 TRP HB3 1.0 . 5.25 804 804 A 46 SER HA A 45 LYS HA 1.0 . 5.22 805 805 A 35 PHE HDx A 68 TRP HB3 1.0 . 4.52 806 806 A 36 GLU HB2 A 67 ASP HBx 1.0 . 3.89 807 807 A 61 LEU HA A 63 PHE H 1.0 . 5.23 808 808 A 7 ARG HA A 36 GLU HA 1.0 . 5.23 809 809 A 15 GLU HA A 16 ARG HA 1.0 . 5.23 810 810 A 23 LYS HA A 24 GLU HA 1.0 . 5.23 811 811 A 73 ARG HA A 30 VAL H 1.0 . 5.24 812 812 A 55 HIS H A 53 LYS H 1.0 . 5.24 813 813 A 72 VAL HG1% A 73 ARG HG3 1.0 . 3.93 814 814 A 63 PHE HDx A 40 PHE HEx 1.0 . 5.24 815 815 A 63 PHE HDx A 40 PHE HEx 1.0 . 5.24 816 816 A 68 TRP HD1 A 69 THR H 1.0 . 2.46 817 817 A 7 ARG HBx A 9 LEU H 1.0 . 5.24 818 818 A 73 ARG HA A 29 GLU H 1.0 . 5.13 819 819 A 33 PHE HB2 A 70 ILE H 1.0 . 3.75 820 820 A 42 ASN H A 45 LYS HB2 1.0 . 5.24 821 821 A 73 ARG HA A 72 VAL HG1% 1.0 . 4.40 822 822 A 72 VAL H A 73 ARG H 1.0 . 4.62 823 823 A 33 PHE HDx A 70 ILE HG13 1.0 . 4.63 824 824 A 55 HIS HE1 A 53 LYS H 1.0 . 5.25 825 825 A 68 TRP HBx A 69 THR H 1.0 . 3.64 826 826 A 32 ILE H A 71 VAL HA 1.0 . 4.66 827 827 A 4 PHE HEx A 21 ILE H 1.0 . 5.42 828 828 A 35 PHE H A 68 TRP HA 1.0 . 5.46 829 829 A 35 PHE HDx A 69 THR HA 1.0 . 3.60 830 830 A 22 GLU HG3 A 50 ILE HD1% 1.0 . 5.26 831 831 A 32 ILE HD11 A 2 LYS HB2 1.0 . 5.18 832 832 A 23 LYS HB2 A 19 GLU HG2 1.0 . 5.26 833 833 A 4 PHE HA A 21 ILE HG12 1.0 . 5.27 834 834 A 57 LEU HDx% A 70 ILE HD11 1.0 . 4.52 835 835 A 57 LEU HDx% A 70 ILE HB 1.0 . 5.18 836 836 A 11 ALA HB% A 14 PHE HD1 1.0 . 5.27 837 837 A 15 GLU HA A 14 PHE HD1 1.0 . 5.27 838 838 A 72 VAL H A 31 ALA H 1.0 . 2.23 839 839 A 45 LYS HB2 A 43 ILE H 1.0 . 5.27 840 840 A 65 GLN HB2 A 64 ASN HB3 1.0 . 5.27 841 841 A 16 ARG HB2 A 17 LEU HA 1.0 . 5.29 842 842 A 62 ARG H A 63 PHE HA 1.0 . 5.28 843 843 A 45 LYS H A 48 GLU H 1.0 . 5.28 844 844 A 13 ILE HA A 14 PHE HD1 1.0 . 5.28 845 845 A 5 ASP HB2 A 8 PRO HDx 1.0 . 5.28 846 846 A 22 GLU HB2 A 50 ILE HD1% 1.0 . 5.28 847 847 A 24 GLU HB2 A 21 ILE HD1% 1.0 . 5.28 848 848 A 24 GLU H A 25 MET HB2 1.0 . 5.28 849 849 A 31 ALA HB% A 72 VAL HB 1.0 . 2.47 850 850 A 57 LEU HB2 A 70 ILE HD11 1.0 . 5.42 851 851 A 14 PHE HB2 A 9 LEU HD2% 1.0 . 5.29 852 852 A 18 GLU H A 16 ARG H 1.0 . 3.77 853 853 A 18 GLU HG3 A 46 SER HB2 1.0 . 5.29 854 854 A 47 ALA H A 43 ILE HA 1.0 . 5.30 855 855 A 69 THR H A 70 ILE HA 1.0 . 5.30 856 856 A 3 ARG HB2 A 33 PHE HDy 1.0 . 5.18 857 857 A 72 VAL H A 31 ALA HB% 1.0 . 3.22 858 858 A 50 ILE H A 48 GLU H 1.0 . 4.39 859 859 A 57 LEU HA A 72 VAL HA 1.0 . 2.76 860 860 A 13 ILE HA A 14 PHE HA 1.0 . 5.30 861 861 A 34 MET H A 3 ARG HB2 1.0 . 5.01 862 862 A 25 MET HB2 A 74 LYS HE3 1.0 . 5.31 863 863 A 28 ASN HA A 74 LYS HA 1.0 . 5.45 864 864 A 73 ARG HA A 29 GLU HA 1.0 . 5.45 865 865 A 69 THR H A 68 TRP HE1 1.0 . 4.41 866 866 A 31 ALA HB% A 4 PHE HB2 1.0 . 5.17 867 867 A 4 PHE H A 32 ILE H 1.0 . 4.26 868 868 A 34 MET HE1 A 69 THR HA 1.0 . 5.10 869 869 A 55 HIS HB2 A 50 ILE HB 1.0 . 5.32 870 870 A 70 ILE HD11 A 71 VAL H 1.0 . 2.47 871 871 A 73 ARG HB2 A 58 LEU HD1% 1.0 . 4.56 872 872 A 73 ARG HB2 A 75 LYS HBx 1.0 . 5.07 873 873 A 74 LYS H A 29 GLU H 1.0 . 3.28 874 874 A 21 ILE HG12 A 25 MET HGy 1.0 . 5.34 875 875 A 70 ILE H A 71 VAL H 1.0 . 4.55 876 876 A 4 PHE H A 32 ILE HA 1.0 . 5.37 877 877 A 9 LEU HD1% A 6 LEU H 1.0 . 5.34 878 878 A 4 PHE HB2 A 33 PHE HDy 1.0 . 2.01 879 879 A 4 PHE H A 33 PHE HA 1.0 . 2.60 880 880 A 15 GLU HB2 A 45 LYS HB3 1.0 . 5.34 881 881 A 41 SER HBx A 44 PRO HDx 1.0 . 5.34 882 882 A 71 VAL HG1% A 71 VAL H 1.0 . 4.34 883 883 A 21 ILE HA A 22 GLU HA 1.0 . 5.36 884 884 A 33 PHE HA A 4 PHE HB2 1.0 . 3.61 885 885 A 14 PHE HA A 13 ILE H 1.0 . 5.37 886 886 A 31 ALA H A 72 VAL HA 1.0 . 4.55 887 887 A 73 ARG HA A 72 VAL HA 1.0 . 4.64 888 888 A 71 VAL HB A 32 ILE HG12 1.0 . 5.19 889 889 A 4 PHE HB2 A 33 PHE HB3 1.0 . 4.70 890 890 A 5 ASP H A 34 MET H 1.0 . 5.36 891 891 A 18 GLU HB2 A 17 LEU HB3 1.0 . 5.37 892 892 A 50 ILE H A 19 GLU HB2 1.0 . 5.37 893 893 A 73 ARG HA A 31 ALA H 1.0 . 3.93 894 894 A 52 SER HA A 48 GLU HA 1.0 . 3.87 895 895 A 73 ARG HB2 A 75 LYS HGy 1.0 . 5.33 896 896 A 6 LEU HA A 14 PHE HA 1.0 . 5.37 897 897 A 25 MET HA A 24 GLU HA 1.0 . 5.37 898 898 A 48 GLU HB2 A 55 HIS HE1 1.0 . 3.86 899 899 A 70 ILE HG1x A 71 VAL H 1.0 . 5.03 900 900 A 35 PHE H A 69 THR HA 1.0 . 3.65 901 901 A 35 PHE HEx A 69 THR HA 1.0 . 3.98 902 902 A 47 ALA HB% A 46 SER HB2 1.0 . 5.38 903 903 A 49 PHE HB2 A 19 GLU HG3 1.0 . 5.38 904 904 A 4 PHE HDx A 33 PHE HDy 1.0 . 4.72 905 905 A 20 LEU HB2 A 18 GLU H 1.0 . 5.39 906 906 A 73 ARG H A 31 ALA H 1.0 . 5.29 907 907 A 33 PHE H A 70 ILE HA 1.0 . 5.18 908 908 A 35 PHE HEx A 69 THR H 1.0 . 4.30 909 909 A 66 ALA HB% A 67 ASP HBy 1.0 . 5.39 910 910 A 68 TRP H A 69 THR H 1.0 . 4.62 911 911 A 35 PHE HEx A 70 ILE HB 1.0 . 3.19 912 912 A 57 LEU H A 72 VAL HA 1.0 . 5.39 913 913 A 4 PHE H A 33 PHE H 1.0 . 4.73 914 914 A 55 HIS HB2 A 74 LYS HA 1.0 . 5.40 915 915 A 72 VAL H A 32 ILE H 1.0 . 5.18 916 916 A 42 ASN HA A 43 ILE HA 1.0 . 5.40 917 917 A 42 ASN H A 45 LYS H 1.0 . 5.41 918 918 A 40 PHE HBx A 43 ILE HG1x 1.0 . 5.41 919 919 A 19 GLU HB2 A 46 SER HBy 1.0 . 5.41 920 920 A 58 LEU HB2 A 73 ARG H 1.0 . 5.17 921 921 A 4 PHE HA A 33 PHE HA 1.0 . 5.17 922 922 A 4 PHE HDx A 33 PHE HB3 1.0 . 5.40 923 923 A 33 PHE HDx A 70 ILE HG1x 1.0 . 5.19 924 924 A 34 MET HE1 A 69 THR HB 1.0 . 5.13 925 925 A 70 ILE H A 35 PHE HDx 1.0 . 3.95 926 926 A 49 PHE HEx A 49 PHE HDy 1.0 . 5.42 927 927 A 68 TRP HA A 69 THR HA 1.0 . 4.75 928 928 A 33 PHE HDx A 43 ILE HD1% 1.0 . 5.42 929 929 A 43 ILE HD1% A 70 ILE H 1.0 . 5.42 930 930 A 33 PHE HB2 A 70 ILE HG1x 1.0 . 5.39 931 931 A 16 ARG HB2 A 18 GLU H 1.0 . 5.42 932 932 A 61 LEU HB2 A 43 ILE HD1% 1.0 . 5.43 933 933 A 28 ASN HA A 75 LYS HA 1.0 . 3.94 934 934 A 33 PHE H A 71 VAL HA 1.0 . 3.93 935 935 A 46 SER H A 43 ILE H 1.0 . 5.44 936 936 A 13 ILE HG12 A 10 LYS HG2 1.0 . 5.44 937 937 A 72 VAL HA A 71 VAL HA 1.0 . 4.65 938 938 A 72 VAL H A 71 VAL H 1.0 . 4.66 939 939 A 33 PHE HEx A 72 VAL HB 1.0 . 3.23 940 940 A 52 SER HB2 A 48 GLU HG2 1.0 . 5.44 941 941 A 21 ILE H A 22 GLU HA 1.0 . 5.45 942 942 A 45 LYS H A 46 SER HA 1.0 . 5.45 943 943 A 60 SER HA A 59 ASN H 1.0 . 5.45 944 944 A 72 VAL H A 73 ARG HA 1.0 . 5.45 945 945 A 49 PHE H A 51 GLN H 1.0 . 5.45 946 946 A 4 PHE H A 34 MET H 1.0 . 3.63 947 947 A 72 VAL H A 33 PHE H 1.0 . 5.05 948 948 A 68 TRP H A 69 THR HA 1.0 . 5.40 949 949 A 20 LEU HB2 A 4 PHE HEx 1.0 . 5.45 950 950 A 34 MET H A 70 ILE H 1.0 . 5.21 951 951 A 42 ASN HB2 A 43 ILE HA 1.0 . 5.45 952 952 A 63 PHE HB2 A 64 ASN HA 1.0 . 5.45 953 953 A 28 ASN HBx A 75 LYS HGx 1.0 . 4.58 954 954 A 74 LYS H A 29 GLU HB2 1.0 . 5.43 955 955 A 74 LYS H A 31 ALA H 1.0 . 5.37 956 956 A 20 LEU H A 22 GLU HB2 1.0 . 5.47 957 957 A 47 ALA HB% A 57 LEU HD21 1.0 . 5.47 958 958 A 34 MET HA A 5 ASP HA 1.0 . 5.47 959 959 A 19 GLU H A 20 LEU HA 1.0 . 5.48 960 960 A 63 PHE H A 64 ASN HA 1.0 . 5.48 961 961 A 35 PHE HEx A 43 ILE HG1x 1.0 . 5.48 962 962 A 71 VAL HG1% A 72 VAL H 1.0 . 4.71 963 963 A 72 VAL HG1% A 74 LYS HA 1.0 . 4.38 964 964 A 43 ILE HD1% A 43 ILE H 1.0 . 5.49 965 965 A 20 LEU HB2 A 21 ILE HB 1.0 . 5.49 966 966 A 40 PHE HBx A 43 ILE H 1.0 . 5.49 967 967 A 36 GLU H A 67 ASP HA 1.0 . 4.68 968 968 A 53 LYS H A 51 GLN H 1.0 . 5.50 969 969 A 70 ILE HD11 A 72 VAL HA 1.0 . 5.04 970 970 A 72 VAL HG1% A 74 LYS HG2 1.0 . 5.24 971 971 A 61 LEU HD1% A 43 ILE HD1% 1.0 . 5.50 972 972 A 11 ALA HB% A 14 PHE HD1 1.0 . 5.50 973 973 A 28 ASN HBx A 75 LYS HA 1.0 . 5.31 974 974 A 29 GLU HB2 A 74 LYS HG3 1.0 . 5.50 975 975 A 33 PHE HDx A 72 VAL HB 1.0 . 5.13 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 LYS C A 3 ARG N A 3 ARG CA A 3 ARG C 1.0 -141.6200 -105.7100 PHI 2 2 A 3 ARG N A 3 ARG CA A 3 ARG C A 4 PHE N 1.0 125.5000 163.5800 PSI 3 3 A 3 ARG C A 4 PHE N A 4 PHE CA A 4 PHE C 1.0 -147.4500 -107.9900 PHI 4 4 A 4 PHE N A 4 PHE CA A 4 PHE C A 5 ASP N 1.0 118.2800 156.8600 PSI 5 5 A 4 PHE C A 5 ASP N A 5 ASP CA A 5 ASP C 1.0 -111.5300 -76.8100 PHI 6 6 A 5 ASP N A 5 ASP CA A 5 ASP C A 6 LEU N 1.0 60.2500 106.5300 PSI 7 7 A 12 GLY C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -100.4300 -50.9600 PHI 8 8 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 PHE N 1.0 -90.1400 -10.7600 PSI 9 9 A 13 ILE C A 14 PHE N A 14 PHE CA A 14 PHE C 1.0 -82.8300 -43.6400 PHI 10 10 A 14 PHE N A 14 PHE CA A 14 PHE C A 15 GLU N 1.0 -88.3100 -20.5600 PSI 11 11 A 14 PHE C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -96.2000 -40.4300 PHI 12 12 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 ARG N 1.0 -70.8300 -10.1000 PSI 13 13 A 15 GLU C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -92.9400 -39.2200 PHI 14 14 A 16 ARG N A 16 ARG CA A 16 ARG C A 17 LEU N 1.0 -74.1200 -11.3300 PSI 15 15 A 16 ARG C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -92.8586 -43.0300 PHI 16 16 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 GLU N 1.0 -69.0200 3.0700 PSI 17 17 A 17 LEU C A 18 GLU N A 18 GLU CA A 18 GLU C 1.0 -91.9300 -44.6400 PHI 18 18 A 18 GLU N A 18 GLU CA A 18 GLU C A 19 GLU N 1.0 -75.4200 -3.5500 PSI 19 19 A 18 GLU C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -91.2700 -22.6500 PHI 20 20 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 LEU N 1.0 -70.6400 13.2800 PSI 21 21 A 19 GLU C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -105.2300 -44.9500 PHI 22 22 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 ILE N 1.0 -70.0200 -13.7500 PSI 23 23 A 20 LEU C A 21 ILE N A 21 ILE CA A 21 ILE C 1.0 -98.3600 -36.3900 PHI 24 24 A 21 ILE N A 21 ILE CA A 21 ILE C A 22 GLU N 1.0 -62.0200 -2.3500 PSI 25 25 A 21 ILE C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -83.8200 -13.1500 PHI 26 26 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 LYS N 1.0 -66.2900 -26.2300 PSI 27 27 A 22 GLU C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -92.3300 -32.3100 PHI 28 28 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 GLU N 1.0 -93.8800 -3.1500 PSI 29 29 A 23 LYS C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -106.3600 -46.6300 PHI 30 30 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 MET N 1.0 -85.1300 -5.9200 PSI 31 31 A 27 PRO C A 28 ASN N A 28 ASN CA A 28 ASN C 1.0 -161.2400 -125.7600 PHI 32 32 A 28 ASN N A 28 ASN CA A 28 ASN C A 29 GLU N 1.0 11.5300 58.3900 PSI 33 33 A 28 ASN C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -110.8400 -72.5500 PHI 34 34 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 VAL N 1.0 142.7800 186.0300 PSI 35 35 A 29 GLU C A 30 VAL N A 30 VAL CA A 30 VAL C 1.0 -134.9900 -96.7400 PHI 36 36 A 30 VAL N A 30 VAL CA A 30 VAL C A 31 ALA N 1.0 127.5800 169.6500 PSI 37 37 A 30 VAL C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -144.5600 -112.4300 PHI 38 38 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 ILE N 1.0 112.9400 150.2900 PSI 39 39 A 31 ALA C A 32 ILE N A 32 ILE CA A 32 ILE C 1.0 -123.7200 -83.7700 PHI 40 40 A 32 ILE N A 32 ILE CA A 32 ILE C A 33 PHE N 1.0 100.2800 144.5700 PSI 41 41 A 32 ILE C A 33 PHE N A 33 PHE CA A 33 PHE C 1.0 -131.3700 -91.5900 PHI 42 42 A 33 PHE N A 33 PHE CA A 33 PHE C A 34 MET N 1.0 104.0700 147.0600 PSI 43 43 A 33 PHE C A 34 MET N A 34 MET CA A 34 MET C 1.0 -119.6700 -81.6700 PHI 44 44 A 34 MET N A 34 MET CA A 34 MET C A 35 PHE N 1.0 106.6900 146.6000 PSI 45 45 A 34 MET C A 35 PHE N A 35 PHE CA A 35 PHE C 1.0 -162.0500 -123.6500 PHI 46 46 A 35 PHE N A 35 PHE CA A 35 PHE C A 36 GLU N 1.0 117.9200 157.0100 PSI 47 47 A 39 ASP C A 40 PHE N A 40 PHE CA A 40 PHE C 1.0 -88.5400 -36.9900 PHI 48 48 A 40 PHE N A 40 PHE CA A 40 PHE C A 41 SER N 1.0 -75.3400 -17.6500 PSI 49 49 A 40 PHE C A 41 SER N A 41 SER CA A 41 SER C 1.0 -90.6600 -42.6900 PHI 50 50 A 41 SER N A 41 SER CA A 41 SER C A 42 ASN N 1.0 -44.5900 18.4000 PSI 51 51 A 41 SER C A 42 ASN N A 42 ASN CA A 42 ASN C 1.0 -100.7000 -20.7200 PHI 52 52 A 42 ASN N A 42 ASN CA A 42 ASN C A 43 ILE N 1.0 -68.0700 -26.3800 PSI 53 53 A 42 ASN C A 43 ILE N A 43 ILE CA A 43 ILE C 1.0 -92.7900 -38.1100 PHI 54 54 A 43 ILE N A 43 ILE CA A 43 ILE C A 44 PRO N 1.0 -68.5600 -18.6500 PSI 55 55 A 44 PRO C A 45 LYS N A 45 LYS CA A 45 LYS C 1.0 -106.5900 -16.1500 PHI 56 56 A 45 LYS N A 45 LYS CA A 45 LYS C A 46 SER N 1.0 -82.8900 -2.4900 PSI 57 57 A 45 LYS C A 46 SER N A 46 SER CA A 46 SER C 1.0 -91.4500 -30.3500 PHI 58 58 A 46 SER N A 46 SER CA A 46 SER C A 47 ALA N 1.0 -55.9200 -1.5400 PSI 59 59 A 46 SER C A 47 ALA N A 47 ALA CA A 47 ALA C 1.0 -100.2900 -15.2600 PHI 60 60 A 47 ALA N A 47 ALA CA A 47 ALA C A 48 GLU N 1.0 -76.9200 -6.8200 PSI 61 61 A 47 ALA C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -88.2800 -38.8200 PHI 62 62 A 48 GLU N A 48 GLU CA A 48 GLU C A 49 PHE N 1.0 -76.2500 -25.3400 PSI 63 63 A 48 GLU C A 49 PHE N A 49 PHE CA A 49 PHE C 1.0 -93.5600 -31.5700 PHI 64 64 A 49 PHE N A 49 PHE CA A 49 PHE C A 50 ILE N 1.0 -71.0200 -9.4700 PSI 65 65 A 49 PHE C A 50 ILE N A 50 ILE CA A 50 ILE C 1.0 -92.5800 -12.5100 PHI 66 66 A 50 ILE N A 50 ILE CA A 50 ILE C A 51 GLN N 1.0 -81.6800 -21.6200 PSI 67 67 A 54 GLY C A 55 HIS N A 55 HIS CA A 55 HIS C 1.0 -110.7200 -73.1600 PHI 68 68 A 55 HIS N A 55 HIS CA A 55 HIS C A 56 GLU N 1.0 76.1733 116.1733 PSI 69 69 A 55 HIS C A 56 GLU N A 56 GLU CA A 56 GLU C 1.0 -151.4600 -110.7800 PHI 70 70 A 56 GLU N A 56 GLU CA A 56 GLU C A 57 LEU N 1.0 120.4200 161.1200 PSI 71 71 A 56 GLU C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -100.4200 -60.9200 PHI 72 72 A 57 LEU N A 57 LEU CA A 57 LEU C A 58 LEU N 1.0 102.3500 140.9500 PSI 73 73 A 67 ASP C A 68 TRP N A 68 TRP CA A 68 TRP C 1.0 -105.7200 -69.9200 PHI 74 74 A 68 TRP N A 68 TRP CA A 68 TRP C A 69 THR N 1.0 143.9700 181.3300 PSI 75 75 A 68 TRP C A 69 THR N A 69 THR CA A 69 THR C 1.0 -142.7800 -108.0500 PHI 76 76 A 69 THR N A 69 THR CA A 69 THR C A 70 ILE N 1.0 116.8500 156.8400 PSI 77 77 A 69 THR C A 70 ILE N A 70 ILE CA A 70 ILE C 1.0 -148.8500 -105.5400 PHI 78 78 A 70 ILE N A 70 ILE CA A 70 ILE C A 71 VAL N 1.0 107.4200 146.4400 PSI 79 79 A 70 ILE C A 71 VAL N A 71 VAL CA A 71 VAL C 1.0 -131.3200 -91.7700 PHI 80 80 A 71 VAL N A 71 VAL CA A 71 VAL C A 72 VAL N 1.0 105.7200 147.7800 PSI 81 81 A 71 VAL C A 72 VAL N A 72 VAL CA A 72 VAL C 1.0 -151.5000 -111.1800 PHI 82 82 A 72 VAL N A 72 VAL CA A 72 VAL C A 73 ARG N 1.0 126.0600 163.9300 PSI 83 83 A 72 VAL C A 73 ARG N A 73 ARG CA A 73 ARG C 1.0 -138.9600 -99.5600 PHI 84 84 A 73 ARG N A 73 ARG CA A 73 ARG C A 74 LYS N 1.0 110.5400 150.2900 PSI 85 85 A 73 ARG C A 74 LYS N A 74 LYS CA A 74 LYS C 1.0 -91.1900 -51.0600 PHI 86 86 A 74 LYS N A 74 LYS CA A 74 LYS C A 75 LYS N 1.0 115.6800 156.7500 PSI stop_ save_