data_nef_c30220_5ub0 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 30221 BMRB 30222 BMRB 30223 PDB 5UB0 stop_ 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 THR middle . . 3 A 3 PHE middle . . 4 A 4 LYS middle . . 5 A 5 LEU middle . . 6 A 6 ILE middle . . 7 A 7 ILE middle . . 8 A 8 ASN middle . . 9 A 9 GLY middle . false 10 A 10 LYS middle . . 11 A 11 THR middle . . 12 A 12 LEU middle . . 13 A 13 LYS middle . . 14 A 14 GLY middle . false 15 A 15 GLU middle . . 16 A 16 THR middle . . 17 A 17 THR middle . . 18 A 18 THR middle . . 19 A 19 GLU middle . . 20 A 20 ALA middle . . 21 A 21 VAL middle . . 22 A 22 ASP middle . . 23 A 23 ALA middle . . 24 A 24 ALA middle . . 25 A 25 THR middle . . 26 A 26 ALA middle . . 27 A 27 GLU middle . . 28 A 28 LYS middle . . 29 A 29 VAL middle . . 30 A 30 LEU middle . . 31 A 31 LYS middle . . 32 A 32 GLN middle . . 33 A 33 TYR middle . . 34 A 34 ALA middle . . 35 A 35 ASN middle . . 36 A 36 ASP middle . . 37 A 37 ASN middle . . 38 A 38 GLY middle . false 39 A 39 ILE middle . . 40 A 40 ASP middle . . 41 A 41 GLY middle . false 42 A 42 GLU middle . . 43 A 43 TRP middle . . 44 A 44 THR middle . . 45 A 45 TYR middle . . 46 A 46 ASP middle . . 47 A 47 ASP middle . . 48 A 48 ALA middle . . 49 A 49 THR middle . . 50 A 50 LYS middle . . 51 A 51 THR middle . . 52 A 52 PHE middle . . 53 A 53 THR middle . . 54 A 54 VAL middle . . 55 A 55 THR middle . . 56 A 56 GLU end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET H1 H 1 8.4310 0.0000 A 1 MET HA H 1 4.6920 0.0000 A 1 MET HBy H 1 2.0060 0.0000 A 1 MET HBx H 1 1.8920 0.0000 A 1 MET HGy H 1 2.4860 0.0000 A 1 MET HGx H 1 2.3860 0.0000 A 1 MET C C 13 174.3000 0.0000 A 1 MET CA C 13 54.5510 0.0000 A 1 MET CB C 13 35.3270 0.0000 A 1 MET CG C 13 31.8910 0.0000 A 1 MET N N 15 120.2630 0.0000 A 2 THR H H 1 8.1060 0.0000 A 2 THR HA H 1 4.7460 0.0000 A 2 THR HB H 1 3.8700 0.0000 A 2 THR HG2% H 1 1.1700 0.0000 A 2 THR C C 13 174.1460 0.0000 A 2 THR CA C 13 63.0740 0.0000 A 2 THR CB C 13 69.2910 0.0000 A 2 THR CG2 C 13 21.7050 0.0000 A 2 THR N N 15 117.0980 0.0000 A 3 PHE H H 1 9.4120 0.0000 A 3 PHE HA H 1 5.3320 0.0000 A 3 PHE HBy H 1 3.0660 0.0000 A 3 PHE HBx H 1 2.8400 0.0000 A 3 PHE HDx H 1 7.3220 0.0000 A 3 PHE HEx H 1 6.3160 0.0000 A 3 PHE HZ H 1 5.9120 0.0000 A 3 PHE C C 13 174.0930 0.0000 A 3 PHE CA C 13 56.7690 0.0000 A 3 PHE CB C 13 43.2520 0.0000 A 3 PHE N N 15 126.5380 0.0000 A 4 LYS H H 1 8.7130 0.0000 A 4 LYS HA H 1 5.1430 0.0000 A 4 LYS HBy H 1 2.0500 0.0000 A 4 LYS HBx H 1 1.8720 0.0000 A 4 LYS HDx H 1 1.6440 0.0000 A 4 LYS HEy H 1 2.8910 0.0000 A 4 LYS HEx H 1 2.7990 0.0000 A 4 LYS HGx H 1 1.5130 0.0000 A 4 LYS C C 13 173.8040 0.0000 A 4 LYS CA C 13 54.7130 0.0000 A 4 LYS CB C 13 35.7770 0.0000 A 4 LYS CD C 13 29.0750 0.0000 A 4 LYS CE C 13 41.8130 0.0000 A 4 LYS CG C 13 25.4130 0.0000 A 4 LYS N N 15 122.3650 0.0000 A 5 LEU H H 1 9.0000 0.0000 A 5 LEU HA H 1 5.5270 0.0000 A 5 LEU HBy H 1 1.7370 0.0000 A 5 LEU HBx H 1 1.4130 0.0000 A 5 LEU HDx% H 1 0.9020 0.0000 A 5 LEU HDy% H 1 0.7110 0.0000 A 5 LEU HG H 1 1.2300 0.0000 A 5 LEU C C 13 174.7070 0.0000 A 5 LEU CA C 13 53.0230 0.0000 A 5 LEU CB C 13 46.7030 0.0000 A 5 LEU CDy C 13 26.5470 0.0000 A 5 LEU CDx C 13 25.3800 0.0000 A 5 LEU CG C 13 27.4090 0.0000 A 5 LEU N N 15 125.2070 0.0000 A 6 ILE H H 1 9.3260 0.0000 A 6 ILE HA H 1 4.3530 0.0000 A 6 ILE HB H 1 2.0750 0.0000 A 6 ILE HD1% H 1 0.8310 0.0000 A 6 ILE HG1y H 1 1.4900 0.0000 A 6 ILE HG1x H 1 1.1920 0.0000 A 6 ILE HG2% H 1 0.8600 0.0000 A 6 ILE C C 13 174.6520 0.0000 A 6 ILE CA C 13 60.5530 0.0000 A 6 ILE CB C 13 38.0730 0.0000 A 6 ILE CD1 C 13 12.6530 0.0000 A 6 ILE CG1 C 13 27.5060 0.0000 A 6 ILE CG2 C 13 17.0460 0.0000 A 6 ILE N N 15 127.1950 0.0000 A 7 ILE H H 1 8.7770 0.0000 A 7 ILE HA H 1 4.1220 0.0000 A 7 ILE HB H 1 1.5650 0.0000 A 7 ILE HD1% H 1 0.8350 0.0000 A 7 ILE HG1y H 1 1.4520 0.0000 A 7 ILE HG1x H 1 0.6630 0.0000 A 7 ILE HG2% H 1 0.7700 0.0000 A 7 ILE C C 13 174.9280 0.0000 A 7 ILE CA C 13 60.6740 0.0000 A 7 ILE CB C 13 39.2690 0.0000 A 7 ILE CD1 C 13 14.4830 0.0000 A 7 ILE CG1 C 13 27.9800 0.0000 A 7 ILE CG2 C 13 18.4320 0.0000 A 7 ILE N N 15 126.4110 0.0000 A 8 ASN H H 1 8.9910 0.0000 A 8 ASN HA H 1 5.3430 0.0000 A 8 ASN HBy H 1 3.0340 0.0000 A 8 ASN HBx H 1 2.5760 0.0000 A 8 ASN HD2y H 1 7.1740 0.0000 A 8 ASN HD2x H 1 6.8340 0.0000 A 8 ASN C C 13 175.7750 0.0000 A 8 ASN CA C 13 50.8430 0.0000 A 8 ASN CB C 13 37.7070 0.0000 A 8 ASN N N 15 129.4670 0.0000 A 8 ASN ND2 N 15 111.5640 0.0000 A 9 GLY H H 1 7.9510 0.0000 A 9 GLY HAy H 1 4.4810 0.0000 A 9 GLY HAx H 1 4.1160 0.0000 A 9 GLY C C 13 173.7300 0.0000 A 9 GLY CA C 13 44.5810 0.0000 A 9 GLY N N 15 110.5110 0.0000 A 10 LYS H H 1 9.5520 0.0000 A 10 LYS HA H 1 4.1120 0.0000 A 10 LYS HBx H 1 1.8630 0.0000 A 10 LYS HDx H 1 1.7230 0.0000 A 10 LYS HEx H 1 3.0370 0.0000 A 10 LYS HGx H 1 1.5060 0.0000 A 10 LYS C C 13 179.0800 0.0000 A 10 LYS CA C 13 59.3350 0.0000 A 10 LYS CB C 13 32.4910 0.0000 A 10 LYS CD C 13 29.0060 0.0000 A 10 LYS CE C 13 41.8500 0.0000 A 10 LYS CG C 13 25.4040 0.0000 A 10 LYS N N 15 121.1710 0.0000 A 11 THR H H 1 8.8650 0.0000 A 11 THR HA H 1 4.4050 0.0000 A 11 THR HB H 1 4.2320 0.0000 A 11 THR HG2% H 1 1.1550 0.0000 A 11 THR C C 13 173.7980 0.0000 A 11 THR CA C 13 61.9020 0.0000 A 11 THR CB C 13 69.8640 0.0000 A 11 THR CG2 C 13 21.7040 0.0000 A 11 THR N N 15 108.8860 0.0000 A 12 LEU H H 1 7.5920 0.0000 A 12 LEU HA H 1 4.4820 0.0000 A 12 LEU HBy H 1 1.6770 0.0000 A 12 LEU HBx H 1 1.4800 0.0000 A 12 LEU HDx% H 1 0.8570 0.0000 A 12 LEU HDy% H 1 0.9360 0.0000 A 12 LEU HG H 1 1.4130 0.0000 A 12 LEU C C 13 173.6440 0.0000 A 12 LEU CA C 13 55.0620 0.0000 A 12 LEU CB C 13 43.6340 0.0000 A 12 LEU CDy C 13 24.9500 0.0000 A 12 LEU CDx C 13 23.9520 0.0000 A 12 LEU CG C 13 27.4490 0.0000 A 12 LEU N N 15 125.6930 0.0000 A 13 LYS H H 1 8.1560 0.0000 A 13 LYS HA H 1 5.1860 0.0000 A 13 LYS HBy H 1 1.9400 0.0000 A 13 LYS HBx H 1 1.7930 0.0000 A 13 LYS HDx H 1 1.7500 0.0000 A 13 LYS HEy H 1 3.0440 0.0000 A 13 LYS HEx H 1 2.9340 0.0000 A 13 LYS HGx H 1 1.5010 0.0000 A 13 LYS C C 13 176.5130 0.0000 A 13 LYS CA C 13 53.7510 0.0000 A 13 LYS CB C 13 34.4580 0.0000 A 13 LYS CD C 13 29.2010 0.0000 A 13 LYS CE C 13 42.5020 0.0000 A 13 LYS CG C 13 25.1930 0.0000 A 13 LYS N N 15 123.6400 0.0000 A 14 GLY H H 1 8.3860 0.0000 A 14 GLY HAy H 1 4.3400 0.0000 A 14 GLY HAx H 1 4.1510 0.0000 A 14 GLY C C 13 171.4460 0.0000 A 14 GLY CA C 13 45.2700 0.0000 A 14 GLY N N 15 109.3780 0.0000 A 15 GLU H H 1 8.4910 0.0000 A 15 GLU HA H 1 5.6710 0.0000 A 15 GLU HBy H 1 2.1260 0.0000 A 15 GLU HBx H 1 1.9710 0.0000 A 15 GLU HGx H 1 2.2140 0.0000 A 15 GLU C C 13 175.2860 0.0000 A 15 GLU CA C 13 54.8930 0.0000 A 15 GLU CB C 13 34.1830 0.0000 A 15 GLU CG C 13 35.7770 0.0000 A 15 GLU N N 15 118.5950 0.0000 A 16 THR H H 1 8.8050 0.0000 A 16 THR HA H 1 4.7100 0.0000 A 16 THR HB H 1 3.8020 0.0000 A 16 THR HG2% H 1 0.3400 0.0000 A 16 THR C C 13 171.9850 0.0000 A 16 THR CA C 13 60.8660 0.0000 A 16 THR CB C 13 69.2920 0.0000 A 16 THR CG2 C 13 18.4760 0.0000 A 16 THR N N 15 115.4560 0.0000 A 17 THR H H 1 7.8970 0.0000 A 17 THR HA H 1 5.6300 0.0000 A 17 THR HB H 1 2.5200 0.0000 A 17 THR HG2% H 1 1.1410 0.0000 A 17 THR C C 13 173.7650 0.0000 A 17 THR CA C 13 59.4560 0.0000 A 17 THR CB C 13 71.7780 0.0000 A 17 THR CG2 C 13 21.4430 0.0000 A 17 THR N N 15 111.7140 0.0000 A 18 THR H H 1 9.0810 0.0000 A 18 THR HA H 1 4.6960 0.0000 A 18 THR HG2% H 1 1.0280 0.0000 A 18 THR C C 13 171.0260 0.0000 A 18 THR CA C 13 61.6940 0.0000 A 18 THR CG2 C 13 18.6570 0.0000 A 18 THR N N 15 114.7690 0.0000 A 19 GLU H H 1 8.0770 0.0000 A 19 GLU HA H 1 5.5600 0.0000 A 19 GLU HBx H 1 1.9410 0.0000 A 19 GLU HGx H 1 2.1150 0.0000 A 19 GLU C C 13 176.4760 0.0000 A 19 GLU CA C 13 54.7560 0.0000 A 19 GLU CB C 13 31.2470 0.0000 A 19 GLU CG C 13 36.5250 0.0000 A 19 GLU N N 15 125.4000 0.0000 A 20 ALA H H 1 9.4000 0.0000 A 20 ALA HA H 1 4.9530 0.0000 A 20 ALA HB% H 1 1.4510 0.0000 A 20 ALA C C 13 177.3520 0.0000 A 20 ALA CA C 13 51.1530 0.0000 A 20 ALA CB C 13 23.6830 0.0000 A 20 ALA N N 15 125.4350 0.0000 A 21 VAL H H 1 8.5580 0.0000 A 21 VAL HA H 1 4.1950 0.0000 A 21 VAL HB H 1 2.2250 0.0000 A 21 VAL HGx% H 1 1.0100 0.0000 A 21 VAL HGy% H 1 1.0130 0.0000 A 21 VAL C C 13 174.7640 0.0000 A 21 VAL CA C 13 63.6020 0.0000 A 21 VAL CB C 13 32.1740 0.0000 A 21 VAL CGy C 13 20.9270 0.0000 A 21 VAL CGx C 13 19.9660 0.0000 A 21 VAL N N 15 114.4750 0.0000 A 22 ASP H H 1 7.3280 0.0000 A 22 ASP HA H 1 4.7200 0.0000 A 22 ASP HBx H 1 3.0620 0.0000 A 22 ASP C C 13 174.3420 0.0000 A 22 ASP CA C 13 52.5550 0.0000 A 22 ASP CB C 13 42.4870 0.0000 A 22 ASP N N 15 113.6880 0.0000 A 23 ALA H H 1 8.7270 0.0000 A 23 ALA HA H 1 4.1900 0.0000 A 23 ALA HB% H 1 1.2220 0.0000 A 23 ALA C C 13 179.0280 0.0000 A 23 ALA CA C 13 54.8260 0.0000 A 23 ALA CB C 13 17.5470 0.0000 A 23 ALA N N 15 121.8730 0.0000 A 24 ALA H H 1 8.1630 0.0000 A 24 ALA HA H 1 4.0010 0.0000 A 24 ALA HB% H 1 1.3300 0.0000 A 24 ALA C C 13 181.0180 0.0000 A 24 ALA CA C 13 54.9140 0.0000 A 24 ALA CB C 13 17.8840 0.0000 A 24 ALA N N 15 121.1880 0.0000 A 25 THR H H 1 8.3650 0.0000 A 25 THR HA H 1 3.7750 0.0000 A 25 THR HB H 1 4.0580 0.0000 A 25 THR HG2% H 1 1.2950 0.0000 A 25 THR C C 13 176.2260 0.0000 A 25 THR CA C 13 66.6030 0.0000 A 25 THR CB C 13 68.0230 0.0000 A 25 THR CG2 C 13 21.2330 0.0000 A 25 THR N N 15 116.4030 0.0000 A 26 ALA H H 1 7.5380 0.0000 A 26 ALA HA H 1 3.4590 0.0000 A 26 ALA HB% H 1 0.6110 0.0000 A 26 ALA C C 13 178.0900 0.0000 A 26 ALA CA C 13 54.8630 0.0000 A 26 ALA CB C 13 18.1530 0.0000 A 26 ALA N N 15 123.2760 0.0000 A 27 GLU H H 1 8.4020 0.0000 A 27 GLU HA H 1 2.5420 0.0000 A 27 GLU HBy H 1 1.9540 0.0000 A 27 GLU HBx H 1 1.7870 0.0000 A 27 GLU HGx H 1 1.5540 0.0000 A 27 GLU C C 13 177.1180 0.0000 A 27 GLU CA C 13 59.4370 0.0000 A 27 GLU CB C 13 29.3060 0.0000 A 27 GLU CG C 13 35.6780 0.0000 A 27 GLU N N 15 117.1110 0.0000 A 28 LYS H H 1 6.8610 0.0000 A 28 LYS HA H 1 3.7250 0.0000 A 28 LYS HBx H 1 1.8720 0.0000 A 28 LYS HDx H 1 1.6420 0.0000 A 28 LYS HEx H 1 2.9430 0.0000 A 28 LYS HGx H 1 1.5550 0.0000 A 28 LYS C C 13 179.8560 0.0000 A 28 LYS CA C 13 59.5220 0.0000 A 28 LYS CB C 13 32.4070 0.0000 A 28 LYS CD C 13 29.0230 0.0000 A 28 LYS CE C 13 41.8570 0.0000 A 28 LYS CG C 13 24.7660 0.0000 A 28 LYS N N 15 116.1900 0.0000 A 29 VAL H H 1 7.4650 0.0000 A 29 VAL HA H 1 3.7040 0.0000 A 29 VAL HB H 1 2.0270 0.0000 A 29 VAL HGx% H 1 1.0750 0.0000 A 29 VAL HGy% H 1 0.9910 0.0000 A 29 VAL C C 13 179.2770 0.0000 A 29 VAL CA C 13 65.9060 0.0000 A 29 VAL CB C 13 32.5070 0.0000 A 29 VAL CGy C 13 21.8690 0.0000 A 29 VAL CGx C 13 20.6950 0.0000 A 29 VAL N N 15 119.7940 0.0000 A 30 LEU H H 1 8.7070 0.0000 A 30 LEU HA H 1 4.1640 0.0000 A 30 LEU HBy H 1 1.5420 0.0000 A 30 LEU HBx H 1 1.4710 0.0000 A 30 LEU HDx% H 1 0.6120 0.0000 A 30 LEU HG H 1 1.4700 0.0000 A 30 LEU C C 13 179.0310 0.0000 A 30 LEU CA C 13 57.4960 0.0000 A 30 LEU CB C 13 40.5060 0.0000 A 30 LEU CDx C 13 21.1220 0.0000 A 30 LEU CG C 13 26.3990 0.0000 A 30 LEU N N 15 121.9030 0.0000 A 31 LYS H H 1 8.6790 0.0000 A 31 LYS HA H 1 4.1010 0.0000 A 31 LYS HBy H 1 1.5030 0.0000 A 31 LYS HBx H 1 1.4060 0.0000 A 31 LYS HDy H 1 0.9890 0.0000 A 31 LYS HDx H 1 0.9320 0.0000 A 31 LYS HEy H 1 1.7910 0.0000 A 31 LYS HEx H 1 1.5950 0.0000 A 31 LYS HGy H 1 0.5960 0.0000 A 31 LYS HGx H 1 0.1100 0.0000 A 31 LYS C C 13 179.4810 0.0000 A 31 LYS CA C 13 59.8030 0.0000 A 31 LYS CB C 13 31.6530 0.0000 A 31 LYS CD C 13 28.9540 0.0000 A 31 LYS CE C 13 41.0190 0.0000 A 31 LYS CG C 13 25.5770 0.0000 A 31 LYS N N 15 121.1910 0.0000 A 32 GLN H H 1 7.4460 0.0000 A 32 GLN HA H 1 3.9960 0.0000 A 32 GLN HBx H 1 2.2270 0.0000 A 32 GLN HE2y H 1 7.9440 0.0000 A 32 GLN HE2x H 1 6.8910 0.0000 A 32 GLN HGx H 1 2.4190 0.0000 A 32 GLN C C 13 177.2440 0.0000 A 32 GLN CA C 13 58.6970 0.0000 A 32 GLN CB C 13 27.8620 0.0000 A 32 GLN CG C 13 33.4200 0.0000 A 32 GLN N N 15 120.2030 0.0000 A 32 GLN NE2 N 15 115.7750 0.0000 A 33 TYR H H 1 7.9930 0.0000 A 33 TYR HA H 1 4.2250 0.0000 A 33 TYR HBy H 1 3.3690 0.0000 A 33 TYR HBx H 1 3.1500 0.0000 A 33 TYR HDx H 1 6.9520 0.0000 A 33 TYR HEx H 1 6.7100 0.0000 A 33 TYR C C 13 178.8830 0.0000 A 33 TYR CA C 13 61.7310 0.0000 A 33 TYR CB C 13 37.6820 0.0000 A 33 TYR N N 15 120.8130 0.0000 A 34 ALA H H 1 8.6520 0.0000 A 34 ALA HA H 1 3.8630 0.0000 A 34 ALA HB% H 1 1.8650 0.0000 A 34 ALA C C 13 179.4230 0.0000 A 34 ALA CA C 13 56.1540 0.0000 A 34 ALA CB C 13 17.8560 0.0000 A 34 ALA N N 15 122.9320 0.0000 A 35 ASN H H 1 8.6220 0.0000 A 35 ASN HA H 1 4.4620 0.0000 A 35 ASN HBx H 1 2.9270 0.0000 A 35 ASN HD2y H 1 7.5800 0.0000 A 35 ASN HD2x H 1 6.9370 0.0000 A 35 ASN C C 13 179.3320 0.0000 A 35 ASN CA C 13 56.7340 0.0000 A 35 ASN CB C 13 38.6230 0.0000 A 35 ASN N N 15 118.7540 0.0000 A 35 ASN ND2 N 15 111.7020 0.0000 A 36 ASP H H 1 8.9380 0.0000 A 36 ASP HA H 1 4.3830 0.0000 A 36 ASP HBy H 1 2.7220 0.0000 A 36 ASP HBx H 1 2.5830 0.0000 A 36 ASP C C 13 177.0920 0.0000 A 36 ASP CA C 13 56.8100 0.0000 A 36 ASP CB C 13 40.0360 0.0000 A 36 ASP N N 15 121.8720 0.0000 A 37 ASN H H 1 7.3890 0.0000 A 37 ASN HA H 1 4.6400 0.0000 A 37 ASN HBy H 1 2.7180 0.0000 A 37 ASN HBx H 1 2.1490 0.0000 A 37 ASN HD2y H 1 6.6360 0.0000 A 37 ASN HD2x H 1 6.3260 0.0000 A 37 ASN C C 13 173.9670 0.0000 A 37 ASN CA C 13 53.6770 0.0000 A 37 ASN CB C 13 39.9850 0.0000 A 37 ASN N N 15 115.9990 0.0000 A 37 ASN ND2 N 15 115.2010 0.0000 A 38 GLY H H 1 7.8490 0.0000 A 38 GLY HAx H 1 3.9310 0.0000 A 38 GLY C C 13 174.2000 0.0000 A 38 GLY CA C 13 46.8470 0.0000 A 38 GLY N N 15 108.2640 0.0000 A 39 ILE H H 1 8.0940 0.0000 A 39 ILE HA H 1 4.2590 0.0000 A 39 ILE HB H 1 1.7660 0.0000 A 39 ILE HD1% H 1 0.7650 0.0000 A 39 ILE HG1x H 1 1.2410 0.0000 A 39 ILE HG2% H 1 0.6990 0.0000 A 39 ILE C C 13 174.6620 0.0000 A 39 ILE CA C 13 59.2160 0.0000 A 39 ILE CB C 13 38.1630 0.0000 A 39 ILE CD1 C 13 12.3150 0.0000 A 39 ILE CG1 C 13 26.7130 0.0000 A 39 ILE CG2 C 13 17.9770 0.0000 A 39 ILE N N 15 121.1170 0.0000 A 40 ASP H H 1 8.8530 0.0000 A 40 ASP HA H 1 4.9380 0.0000 A 40 ASP HBy H 1 2.7740 0.0000 A 40 ASP HBx H 1 2.5750 0.0000 A 40 ASP C C 13 174.3320 0.0000 A 40 ASP CA C 13 52.8530 0.0000 A 40 ASP CB C 13 43.1030 0.0000 A 40 ASP N N 15 128.6940 0.0000 A 41 GLY H H 1 8.0470 0.0000 A 41 GLY HAy H 1 4.3400 0.0000 A 41 GLY HAx H 1 3.6550 0.0000 A 41 GLY C C 13 171.9350 0.0000 A 41 GLY CA C 13 45.2760 0.0000 A 41 GLY N N 15 107.5990 0.0000 A 42 GLU H H 1 8.2340 0.0000 A 42 GLU HA H 1 4.7460 0.0000 A 42 GLU HBy H 1 2.0830 0.0000 A 42 GLU HBx H 1 1.9950 0.0000 A 42 GLU HGy H 1 2.3790 0.0000 A 42 GLU HGx H 1 2.2760 0.0000 A 42 GLU C C 13 177.0930 0.0000 A 42 GLU CA C 13 55.5010 0.0000 A 42 GLU CB C 13 31.5700 0.0000 A 42 GLU CG C 13 35.7100 0.0000 A 42 GLU N N 15 120.4540 0.0000 A 43 TRP H H 1 9.3550 0.0000 A 43 TRP HA H 1 5.4090 0.0000 A 43 TRP HBy H 1 3.3450 0.0000 A 43 TRP HBx H 1 3.1590 0.0000 A 43 TRP HD1 H 1 7.5220 0.0000 A 43 TRP HE1 H 1 10.4880 0.0000 A 43 TRP HE3 H 1 7.5200 0.0000 A 43 TRP HH2 H 1 6.7000 0.0000 A 43 TRP HZ2 H 1 7.2480 0.0000 A 43 TRP HZ3 H 1 6.4950 0.0000 A 43 TRP C C 13 177.0550 0.0000 A 43 TRP CA C 13 57.9670 0.0000 A 43 TRP CB C 13 30.4320 0.0000 A 43 TRP N N 15 128.7910 0.0000 A 43 TRP NE1 N 15 130.9810 0.0000 A 44 THR H H 1 9.2690 0.0000 A 44 THR HA H 1 4.8400 0.0000 A 44 THR HB H 1 4.2690 0.0000 A 44 THR HG2% H 1 1.2230 0.0000 A 44 THR C C 13 172.7180 0.0000 A 44 THR CA C 13 60.3830 0.0000 A 44 THR CB C 13 72.2450 0.0000 A 44 THR CG2 C 13 22.0000 0.0000 A 44 THR N N 15 115.0060 0.0000 A 45 TYR H H 1 8.5710 0.0000 A 45 TYR HA H 1 4.9890 0.0000 A 45 TYR HBy H 1 2.9710 0.0000 A 45 TYR HBx H 1 2.5430 0.0000 A 45 TYR HDx H 1 7.5720 0.0000 A 45 TYR HEx H 1 6.3420 0.0000 A 45 TYR C C 13 173.2250 0.0000 A 45 TYR CA C 13 56.7830 0.0000 A 45 TYR CB C 13 41.6620 0.0000 A 45 TYR N N 15 120.5830 0.0000 A 46 ASP H H 1 7.6950 0.0000 A 46 ASP HA H 1 4.5890 0.0000 A 46 ASP HBy H 1 2.5870 0.0000 A 46 ASP HBx H 1 2.2680 0.0000 A 46 ASP C C 13 174.4850 0.0000 A 46 ASP CA C 13 51.7830 0.0000 A 46 ASP CB C 13 42.9880 0.0000 A 46 ASP N N 15 128.6450 0.0000 A 47 ASP H H 1 8.5160 0.0000 A 47 ASP HA H 1 4.0870 0.0000 A 47 ASP HBy H 1 2.7960 0.0000 A 47 ASP HBx H 1 2.5150 0.0000 A 47 ASP C C 13 178.1220 0.0000 A 47 ASP CA C 13 56.2130 0.0000 A 47 ASP CB C 13 42.0250 0.0000 A 47 ASP N N 15 125.0920 0.0000 A 48 ALA H H 1 8.2860 0.0000 A 48 ALA HA H 1 4.0940 0.0000 A 48 ALA HB% H 1 1.5090 0.0000 A 48 ALA C C 13 179.8360 0.0000 A 48 ALA CA C 13 54.9770 0.0000 A 48 ALA CB C 13 18.2640 0.0000 A 48 ALA N N 15 119.8820 0.0000 A 49 THR H H 1 6.9670 0.0000 A 49 THR HA H 1 4.3900 0.0000 A 49 THR HB H 1 4.4070 0.0000 A 49 THR HG2% H 1 1.0750 0.0000 A 49 THR C C 13 175.1740 0.0000 A 49 THR CA C 13 60.3120 0.0000 A 49 THR CB C 13 70.0670 0.0000 A 49 THR CG2 C 13 21.1200 0.0000 A 49 THR N N 15 104.507 0.0000 A 50 LYS H H 1 7.8030 0.0000 A 50 LYS HA H 1 4.0910 0.0000 A 50 LYS HBy H 1 1.8990 0.0000 A 50 LYS HBx H 1 1.7300 0.0000 A 50 LYS HDx H 1 1.4400 0.0000 A 50 LYS HEy H 1 3.0160 0.0000 A 50 LYS HEx H 1 2.9400 0.0000 A 50 LYS HGy H 1 1.2570 0.0000 A 50 LYS HGx H 1 1.1670 0.0000 A 50 LYS C C 13 174.8060 0.0000 A 50 LYS CA C 13 56.6520 0.0000 A 50 LYS CB C 13 29.3950 0.0000 A 50 LYS CD C 13 28.1200 0.0000 A 50 LYS CE C 13 42.4860 0.0000 A 50 LYS CG C 13 24.4910 0.0000 A 50 LYS N N 15 123.7330 0.0000 A 51 THR H H 1 7.3650 0.0000 A 51 THR HA H 1 5.3590 0.0000 A 51 THR HB H 1 3.7800 0.0000 A 51 THR HG2% H 1 1.0460 0.0000 A 51 THR C C 13 174.7790 0.0000 A 51 THR CA C 13 62.2030 0.0000 A 51 THR CB C 13 72.0320 0.0000 A 51 THR CG2 C 13 21.0340 0.0000 A 51 THR N N 15 111.3550 0.0000 A 52 PHE H H 1 10.3660 0.0000 A 52 PHE HA H 1 5.6740 0.0000 A 52 PHE HBx H 1 3.2880 0.0000 A 52 PHE HDx H 1 7.5720 0.0000 A 52 PHE HEx H 1 7.0210 0.0000 A 52 PHE HZ H 1 6.9240 0.0000 A 52 PHE C C 13 174.6370 0.0000 A 52 PHE CA C 13 57.2430 0.0000 A 52 PHE CB C 13 42.6130 0.0000 A 52 PHE N N 15 131.2870 0.0000 A 53 THR H H 1 9.1170 0.0000 A 53 THR HA H 1 5.2510 0.0000 A 53 THR HB H 1 3.8340 0.0000 A 53 THR HG2% H 1 0.9890 0.0000 A 53 THR C C 13 172.5270 0.0000 A 53 THR CA C 13 61.6990 0.0000 A 53 THR CB C 13 70.9030 0.0000 A 53 THR CG2 C 13 20.6250 0.0000 A 53 THR N N 15 117.8130 0.0000 A 54 VAL H H 1 8.3950 0.0000 A 54 VAL HA H 1 4.6180 0.0000 A 54 VAL HB H 1 -0.1850 0.0000 A 54 VAL HGx% H 1 -0.0700 0.0000 A 54 VAL HGy% H 1 0.5520 0.0000 A 54 VAL C C 13 172.8470 0.0000 A 54 VAL CA C 13 57.5730 0.0000 A 54 VAL CB C 13 32.7030 0.0000 A 54 VAL CGy C 13 21.5040 0.0000 A 54 VAL CGx C 13 20.5260 0.0000 A 54 VAL N N 15 123.6550 0.0000 A 55 THR H H 1 8.4410 0.0000 A 55 THR HA H 1 4.8030 0.0000 A 55 THR HB H 1 3.8990 0.0000 A 55 THR HG2% H 1 1.2890 0.0000 A 55 THR C C 13 174.3060 0.0000 A 55 THR CA C 13 61.7860 0.0000 A 55 THR CB C 13 70.6710 0.0000 A 55 THR CG2 C 13 21.2330 0.0000 A 55 THR N N 15 124.8430 0.0000 A 56 GLU H H 1 7.8500 0.0000 A 56 GLU HA H 1 4.2970 0.0000 A 56 GLU HBy H 1 2.2010 0.0000 A 56 GLU HBx H 1 2.0010 0.0000 A 56 GLU HGx H 1 2.3380 0.0000 A 56 GLU CA C 13 58.3300 0.0000 A 56 GLU CB C 13 32.6910 0.0000 A 56 GLU CG C 13 37.5050 0.0000 A 56 GLU N N 15 133.7280 0.0000 stop_ save_ save_assigned_chemical_shifts_2 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_2 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.6920 0.0000 A 1 MET HBy H 1 2.0060 0.0000 A 1 MET HBx H 1 1.8920 0.0000 A 1 MET HGy H 1 2.4860 0.0000 A 1 MET HGx H 1 2.3860 0.0000 A 1 MET CA C 13 54.5510 0.0000 A 1 MET CB C 13 35.3270 0.0000 A 1 MET CG C 13 31.8910 0.0000 A 2 THR HA H 1 4.7460 0.0000 A 2 THR HB H 1 3.8700 0.0000 A 2 THR HG2% H 1 1.1700 0.0000 A 2 THR CA C 13 63.0740 0.0000 A 2 THR CB C 13 69.2910 0.0000 A 2 THR CG2 C 13 21.7050 0.0000 A 3 PHE HA H 1 5.3320 0.0000 A 3 PHE HBy H 1 3.0660 0.0000 A 3 PHE HBx H 1 2.8400 0.0000 A 3 PHE HDx H 1 7.3220 0.0000 A 3 PHE HEx H 1 6.3160 0.0000 A 3 PHE HZ H 1 5.9120 0.0000 A 3 PHE CA C 13 56.7690 0.0000 A 3 PHE CB C 13 43.2520 0.0000 A 4 LYS HA H 1 5.1430 0.0000 A 4 LYS HBy H 1 2.0500 0.0000 A 4 LYS HBx H 1 1.8720 0.0000 A 4 LYS HDx H 1 1.6440 0.0000 A 4 LYS HEy H 1 2.8910 0.0000 A 4 LYS HEx H 1 2.7990 0.0000 A 4 LYS HGx H 1 1.5130 0.0000 A 4 LYS CA C 13 54.7130 0.0000 A 4 LYS CB C 13 35.7770 0.0000 A 4 LYS CD C 13 29.0750 0.0000 A 4 LYS CE C 13 41.8130 0.0000 A 4 LYS CG C 13 25.4130 0.0000 A 5 LEU HA H 1 5.5270 0.0000 A 5 LEU HBy H 1 1.7370 0.0000 A 5 LEU HBx H 1 1.4130 0.0000 A 5 LEU HDx% H 1 0.9020 0.0000 A 5 LEU HDy% H 1 0.7110 0.0000 A 5 LEU HG H 1 1.2300 0.0000 A 5 LEU CA C 13 53.0230 0.0000 A 5 LEU CB C 13 46.7030 0.0000 A 5 LEU CDy C 13 26.5470 0.0000 A 5 LEU CDx C 13 25.3800 0.0000 A 5 LEU CG C 13 27.4090 0.0000 A 6 ILE HA H 1 4.3530 0.0000 A 6 ILE HB H 1 2.0750 0.0000 A 6 ILE HD1% H 1 0.8310 0.0000 A 6 ILE HG1y H 1 1.4900 0.0000 A 6 ILE HG1x H 1 1.1920 0.0000 A 6 ILE HG2% H 1 0.8600 0.0000 A 6 ILE CA C 13 60.5530 0.0000 A 6 ILE CB C 13 38.0730 0.0000 A 6 ILE CD1 C 13 12.6530 0.0000 A 6 ILE CG1 C 13 27.5060 0.0000 A 6 ILE CG2 C 13 17.0460 0.0000 A 7 ILE HA H 1 4.1220 0.0000 A 7 ILE HB H 1 1.5650 0.0000 A 7 ILE HD1% H 1 0.8350 0.0000 A 7 ILE HG1y H 1 1.4520 0.0000 A 7 ILE HG1x H 1 0.6630 0.0000 A 7 ILE HG2% H 1 0.7700 0.0000 A 7 ILE CA C 13 60.6740 0.0000 A 7 ILE CB C 13 39.2690 0.0000 A 7 ILE CD1 C 13 14.4830 0.0000 A 7 ILE CG1 C 13 27.9800 0.0000 A 7 ILE CG2 C 13 18.4320 0.0000 A 8 ASN HA H 1 5.3430 0.0000 A 8 ASN HBy H 1 3.0340 0.0000 A 8 ASN HBx H 1 2.5760 0.0000 A 8 ASN CA C 13 50.8430 0.0000 A 8 ASN CB C 13 37.7070 0.0000 A 9 GLY HAy H 1 4.4810 0.0000 A 9 GLY HAx H 1 4.1160 0.0000 A 9 GLY CA C 13 44.5810 0.0000 A 10 LYS HA H 1 4.1120 0.0000 A 10 LYS HBx H 1 1.8630 0.0000 A 10 LYS HDx H 1 1.7230 0.0000 A 10 LYS HEx H 1 3.0370 0.0000 A 10 LYS HGx H 1 1.5060 0.0000 A 10 LYS CA C 13 59.3350 0.0000 A 10 LYS CB C 13 32.4910 0.0000 A 10 LYS CD C 13 29.0060 0.0000 A 10 LYS CE C 13 41.8500 0.0000 A 10 LYS CG C 13 25.4040 0.0000 A 11 THR HA H 1 4.4050 0.0000 A 11 THR HB H 1 4.2320 0.0000 A 11 THR HG2% H 1 1.1550 0.0000 A 11 THR CA C 13 61.9020 0.0000 A 11 THR CB C 13 69.8640 0.0000 A 11 THR CG2 C 13 21.7040 0.0000 A 12 LEU HA H 1 4.4820 0.0000 A 12 LEU HBy H 1 1.6770 0.0000 A 12 LEU HBx H 1 1.4800 0.0000 A 12 LEU HDx% H 1 0.8570 0.0000 A 12 LEU HDy% H 1 0.9360 0.0000 A 12 LEU HG H 1 1.4130 0.0000 A 12 LEU CA C 13 55.0620 0.0000 A 12 LEU CB C 13 43.6340 0.0000 A 12 LEU CDy C 13 24.9500 0.0000 A 12 LEU CDx C 13 23.9520 0.0000 A 12 LEU CG C 13 27.4490 0.0000 A 13 LYS HA H 1 5.1860 0.0000 A 13 LYS HBy H 1 1.9400 0.0000 A 13 LYS HBx H 1 1.7930 0.0000 A 13 LYS HDx H 1 1.7500 0.0000 A 13 LYS HEy H 1 3.0440 0.0000 A 13 LYS HEx H 1 2.9340 0.0000 A 13 LYS HGx H 1 1.5010 0.0000 A 13 LYS CA C 13 53.7510 0.0000 A 13 LYS CB C 13 34.4580 0.0000 A 13 LYS CD C 13 29.2010 0.0000 A 13 LYS CE C 13 42.5020 0.0000 A 13 LYS CG C 13 25.1930 0.0000 A 14 GLY HAy H 1 4.3400 0.0000 A 14 GLY HAx H 1 4.1510 0.0000 A 14 GLY CA C 13 45.2700 0.0000 A 15 GLU HA H 1 5.6710 0.0000 A 15 GLU HBy H 1 2.1260 0.0000 A 15 GLU HBx H 1 1.9710 0.0000 A 15 GLU HGx H 1 2.2140 0.0000 A 15 GLU CA C 13 54.8930 0.0000 A 15 GLU CB C 13 34.1830 0.0000 A 15 GLU CG C 13 35.7770 0.0000 A 16 THR HA H 1 4.7100 0.0000 A 16 THR HB H 1 3.8020 0.0000 A 16 THR HG2% H 1 0.3400 0.0000 A 16 THR CA C 13 60.8660 0.0000 A 16 THR CB C 13 69.2920 0.0000 A 16 THR CG2 C 13 18.4760 0.0000 A 17 THR HA H 1 5.6300 0.0000 A 17 THR HB H 1 2.5200 0.0000 A 17 THR HG2% H 1 1.1410 0.0000 A 17 THR CA C 13 59.4560 0.0000 A 17 THR CB C 13 71.7780 0.0000 A 17 THR CG2 C 13 21.4430 0.0000 A 18 THR HA H 1 4.6960 0.0000 A 18 THR HG2% H 1 1.0280 0.0000 A 18 THR CA C 13 61.6940 0.0000 A 18 THR CG2 C 13 18.6570 0.0000 A 19 GLU HA H 1 5.5600 0.0000 A 19 GLU HBx H 1 1.9410 0.0000 A 19 GLU HGx H 1 2.1150 0.0000 A 19 GLU CA C 13 54.7560 0.0000 A 19 GLU CB C 13 31.2470 0.0000 A 19 GLU CG C 13 36.5250 0.0000 A 20 ALA HA H 1 4.9530 0.0000 A 20 ALA HB% H 1 1.4510 0.0000 A 20 ALA CA C 13 51.1530 0.0000 A 20 ALA CB C 13 23.6830 0.0000 A 21 VAL HA H 1 4.1950 0.0000 A 21 VAL HB H 1 2.2250 0.0000 A 21 VAL HGx% H 1 1.0100 0.0000 A 21 VAL HGy% H 1 1.0130 0.0000 A 21 VAL CA C 13 63.6020 0.0000 A 21 VAL CB C 13 32.1740 0.0000 A 21 VAL CGy C 13 20.9270 0.0000 A 21 VAL CGx C 13 19.9660 0.0000 A 22 ASP HA H 1 4.7200 0.0000 A 22 ASP HBx H 1 3.0620 0.0000 A 22 ASP CA C 13 52.5550 0.0000 A 22 ASP CB C 13 42.4870 0.0000 A 23 ALA HA H 1 4.1900 0.0000 A 23 ALA HB% H 1 1.2220 0.0000 A 23 ALA CA C 13 54.8260 0.0000 A 23 ALA CB C 13 17.5470 0.0000 A 24 ALA HA H 1 4.0010 0.0000 A 24 ALA HB% H 1 1.3300 0.0000 A 24 ALA CA C 13 54.9140 0.0000 A 24 ALA CB C 13 17.8840 0.0000 A 25 THR HA H 1 3.7750 0.0000 A 25 THR HB H 1 4.0580 0.0000 A 25 THR HG2% H 1 1.2950 0.0000 A 25 THR CA C 13 66.6030 0.0000 A 25 THR CB C 13 68.0230 0.0000 A 25 THR CG2 C 13 21.2330 0.0000 A 26 ALA HA H 1 3.4590 0.0000 A 26 ALA HB% H 1 0.6110 0.0000 A 26 ALA CA C 13 54.8630 0.0000 A 26 ALA CB C 13 18.1530 0.0000 A 27 GLU HA H 1 2.5420 0.0000 A 27 GLU HBy H 1 1.9540 0.0000 A 27 GLU HBx H 1 1.7870 0.0000 A 27 GLU HGx H 1 1.5540 0.0000 A 27 GLU CA C 13 59.4370 0.0000 A 27 GLU CB C 13 29.3060 0.0000 A 27 GLU CG C 13 35.6780 0.0000 A 28 LYS HA H 1 3.7250 0.0000 A 28 LYS HBx H 1 1.8720 0.0000 A 28 LYS HDx H 1 1.6420 0.0000 A 28 LYS HEx H 1 2.9430 0.0000 A 28 LYS HGx H 1 1.5550 0.0000 A 28 LYS CA C 13 59.5220 0.0000 A 28 LYS CB C 13 32.4070 0.0000 A 28 LYS CD C 13 29.0230 0.0000 A 28 LYS CE C 13 41.8570 0.0000 A 28 LYS CG C 13 24.7660 0.0000 A 29 VAL HA H 1 3.7040 0.0000 A 29 VAL HB H 1 2.0270 0.0000 A 29 VAL HGx% H 1 1.0750 0.0000 A 29 VAL HGy% H 1 0.9910 0.0000 A 29 VAL CA C 13 65.9060 0.0000 A 29 VAL CB C 13 32.5070 0.0000 A 29 VAL CGy C 13 21.8690 0.0000 A 29 VAL CGx C 13 20.6950 0.0000 A 30 LEU HA H 1 4.1640 0.0000 A 30 LEU HBy H 1 1.5420 0.0000 A 30 LEU HBx H 1 1.4710 0.0000 A 30 LEU HDx% H 1 0.6120 0.0000 A 30 LEU HG H 1 1.4700 0.0000 A 30 LEU CA C 13 57.4960 0.0000 A 30 LEU CB C 13 40.5060 0.0000 A 30 LEU CDx C 13 21.1220 0.0000 A 30 LEU CG C 13 26.3990 0.0000 A 31 LYS HA H 1 4.1010 0.0000 A 31 LYS HBy H 1 1.5030 0.0000 A 31 LYS HBx H 1 1.4060 0.0000 A 31 LYS HDy H 1 0.9890 0.0000 A 31 LYS HDx H 1 0.9320 0.0000 A 31 LYS HEy H 1 1.7910 0.0000 A 31 LYS HEx H 1 1.5950 0.0000 A 31 LYS HGy H 1 0.5960 0.0000 A 31 LYS HGx H 1 0.1100 0.0000 A 31 LYS CA C 13 59.8030 0.0000 A 31 LYS CB C 13 31.6530 0.0000 A 31 LYS CD C 13 28.9540 0.0000 A 31 LYS CE C 13 41.0190 0.0000 A 31 LYS CG C 13 25.5770 0.0000 A 32 GLN HA H 1 3.9960 0.0000 A 32 GLN HBx H 1 2.2270 0.0000 A 32 GLN HGx H 1 2.4190 0.0000 A 32 GLN CA C 13 58.6970 0.0000 A 32 GLN CB C 13 27.8620 0.0000 A 32 GLN CG C 13 33.4200 0.0000 A 33 TYR HA H 1 4.2250 0.0000 A 33 TYR HBy H 1 3.3690 0.0000 A 33 TYR HBx H 1 3.1500 0.0000 A 33 TYR HDx H 1 6.9520 0.0000 A 33 TYR HEx H 1 6.7100 0.0000 A 33 TYR CA C 13 61.7310 0.0000 A 33 TYR CB C 13 37.6820 0.0000 A 34 ALA HA H 1 3.8630 0.0000 A 34 ALA HB% H 1 1.8650 0.0000 A 34 ALA CA C 13 56.1540 0.0000 A 34 ALA CB C 13 17.8560 0.0000 A 35 ASN HA H 1 4.4620 0.0000 A 35 ASN HBx H 1 2.9270 0.0000 A 35 ASN CA C 13 56.7340 0.0000 A 35 ASN CB C 13 38.6230 0.0000 A 36 ASP HA H 1 4.3830 0.0000 A 36 ASP HBy H 1 2.7220 0.0000 A 36 ASP HBx H 1 2.5830 0.0000 A 36 ASP CA C 13 56.8100 0.0000 A 36 ASP CB C 13 40.0360 0.0000 A 37 ASN HA H 1 4.6400 0.0000 A 37 ASN HBy H 1 2.7180 0.0000 A 37 ASN HBx H 1 2.1490 0.0000 A 37 ASN CA C 13 53.6770 0.0000 A 37 ASN CB C 13 39.9850 0.0000 A 38 GLY HAx H 1 3.9310 0.0000 A 38 GLY CA C 13 46.8470 0.0000 A 39 ILE HA H 1 4.2590 0.0000 A 39 ILE HB H 1 1.7660 0.0000 A 39 ILE HD1% H 1 0.7650 0.0000 A 39 ILE HG1x H 1 1.2410 0.0000 A 39 ILE HG2% H 1 0.6990 0.0000 A 39 ILE CA C 13 59.2160 0.0000 A 39 ILE CB C 13 38.1630 0.0000 A 39 ILE CD1 C 13 12.3150 0.0000 A 39 ILE CG1 C 13 26.7130 0.0000 A 39 ILE CG2 C 13 17.9770 0.0000 A 40 ASP HA H 1 4.9380 0.0000 A 40 ASP HBy H 1 2.7740 0.0000 A 40 ASP HBx H 1 2.5750 0.0000 A 40 ASP CA C 13 52.8530 0.0000 A 40 ASP CB C 13 43.1030 0.0000 A 41 GLY HAy H 1 4.3400 0.0000 A 41 GLY HAx H 1 3.6550 0.0000 A 41 GLY CA C 13 45.2760 0.0000 A 42 GLU HA H 1 4.7460 0.0000 A 42 GLU HBy H 1 2.0830 0.0000 A 42 GLU HBx H 1 1.9950 0.0000 A 42 GLU HGy H 1 2.3790 0.0000 A 42 GLU HGx H 1 2.2760 0.0000 A 42 GLU CA C 13 55.5010 0.0000 A 42 GLU CB C 13 31.5700 0.0000 A 42 GLU CG C 13 35.7100 0.0000 A 43 TRP HA H 1 5.4090 0.0000 A 43 TRP HBy H 1 3.3450 0.0000 A 43 TRP HBx H 1 3.1590 0.0000 A 43 TRP HD1 H 1 7.5220 0.0000 A 43 TRP HE3 H 1 7.5200 0.0000 A 43 TRP HH2 H 1 6.7000 0.0000 A 43 TRP HZ2 H 1 7.2480 0.0000 A 43 TRP HZ3 H 1 6.4950 0.0000 A 43 TRP CA C 13 57.9670 0.0000 A 43 TRP CB C 13 30.4320 0.0000 A 44 THR HA H 1 4.8400 0.0000 A 44 THR HB H 1 4.2690 0.0000 A 44 THR HG2% H 1 1.2230 0.0000 A 44 THR CA C 13 60.3830 0.0000 A 44 THR CB C 13 72.2450 0.0000 A 44 THR CG2 C 13 22.0000 0.0000 A 45 TYR HA H 1 4.9890 0.0000 A 45 TYR HBy H 1 2.9710 0.0000 A 45 TYR HBx H 1 2.5430 0.0000 A 45 TYR HDx H 1 7.5720 0.0000 A 45 TYR HEx H 1 6.3420 0.0000 A 45 TYR CA C 13 56.7830 0.0000 A 45 TYR CB C 13 41.6620 0.0000 A 46 ASP HA H 1 4.5890 0.0000 A 46 ASP HBy H 1 2.5870 0.0000 A 46 ASP HBx H 1 2.2680 0.0000 A 46 ASP CA C 13 51.7830 0.0000 A 46 ASP CB C 13 42.9880 0.0000 A 47 ASP HA H 1 4.0870 0.0000 A 47 ASP HBy H 1 2.7960 0.0000 A 47 ASP HBx H 1 2.5150 0.0000 A 47 ASP CA C 13 56.2130 0.0000 A 47 ASP CB C 13 42.0250 0.0000 A 48 ALA HA H 1 4.0940 0.0000 A 48 ALA HB% H 1 1.5090 0.0000 A 48 ALA CA C 13 54.9770 0.0000 A 48 ALA CB C 13 18.2640 0.0000 A 49 THR HA H 1 4.3900 0.0000 A 49 THR HB H 1 4.4070 0.0000 A 49 THR HG2% H 1 1.0750 0.0000 A 49 THR CA C 13 60.3120 0.0000 A 49 THR CB C 13 70.0670 0.0000 A 49 THR CG2 C 13 21.1200 0.0000 A 50 LYS HA H 1 4.0910 0.0000 A 50 LYS HBy H 1 1.8990 0.0000 A 50 LYS HBx H 1 1.7300 0.0000 A 50 LYS HDx H 1 1.4400 0.0000 A 50 LYS HEy H 1 3.0160 0.0000 A 50 LYS HEx H 1 2.9400 0.0000 A 50 LYS HGy H 1 1.2570 0.0000 A 50 LYS HGx H 1 1.1670 0.0000 A 50 LYS CA C 13 56.6520 0.0000 A 50 LYS CB C 13 29.3950 0.0000 A 50 LYS CD C 13 28.1200 0.0000 A 50 LYS CE C 13 42.4860 0.0000 A 50 LYS CG C 13 24.4910 0.0000 A 51 THR HA H 1 5.3590 0.0000 A 51 THR HB H 1 3.7800 0.0000 A 51 THR HG2% H 1 1.0460 0.0000 A 51 THR CA C 13 62.2030 0.0000 A 51 THR CB C 13 72.0320 0.0000 A 51 THR CG2 C 13 21.0340 0.0000 A 52 PHE HA H 1 5.6740 0.0000 A 52 PHE HBx H 1 3.2880 0.0000 A 52 PHE HDx H 1 7.5720 0.0000 A 52 PHE HEx H 1 7.0210 0.0000 A 52 PHE HZ H 1 6.9240 0.0000 A 52 PHE CA C 13 57.2430 0.0000 A 52 PHE CB C 13 42.6130 0.0000 A 53 THR HA H 1 5.2510 0.0000 A 53 THR HB H 1 3.8340 0.0000 A 53 THR HG2% H 1 0.9890 0.0000 A 53 THR CA C 13 61.6990 0.0000 A 53 THR CB C 13 70.9030 0.0000 A 53 THR CG2 C 13 20.6250 0.0000 A 54 VAL HA H 1 4.6180 0.0000 A 54 VAL HB H 1 -0.1850 0.0000 A 54 VAL HGx% H 1 -0.0700 0.0000 A 54 VAL HGy% H 1 0.5520 0.0000 A 54 VAL CA C 13 57.5730 0.0000 A 54 VAL CB C 13 32.7030 0.0000 A 54 VAL CGy C 13 21.5040 0.0000 A 54 VAL CGx C 13 20.5260 0.0000 A 55 THR HA H 1 4.8030 0.0000 A 55 THR HB H 1 3.8990 0.0000 A 55 THR HG2% H 1 1.2890 0.0000 A 55 THR CA C 13 61.7860 0.0000 A 55 THR CB C 13 70.6710 0.0000 A 55 THR CG2 C 13 21.2330 0.0000 A 56 GLU HA H 1 4.2970 0.0000 A 56 GLU HBy H 1 2.2010 0.0000 A 56 GLU HBx H 1 2.0010 0.0000 A 56 GLU HGx H 1 2.3380 0.0000 A 56 GLU CA C 13 58.3300 0.0000 A 56 GLU CB C 13 32.6910 0.0000 A 56 GLU CG C 13 37.5050 0.0000 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _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 41 GLY H A 43 TRP HE1 1.0 . 3.55 2 2 A 41 GLY H A 40 ASP H 1.0 . 4.22 3 3 A 41 GLY H A 40 ASP HA 1.0 . 2.73 4 4 A 41 GLY H A 40 ASP HBy 1.0 . 4.35 5 5 A 41 GLY H A 39 ILE HG2% 1.0 . 4.29 6 6 A 38 GLY H A 39 ILE H 1.0 . 3.29 7 7 A 38 GLY H A 36 ASP H 1.0 . 4.52 8 8 A 38 GLY H A 37 ASN H 1.0 . 3.14 9 9 A 38 GLY H A 35 ASN HA 1.0 . 3.99 10 10 A 38 GLY H A 38 GLY HAx 1.0 . 2.77 11 10 A 38 GLY H A 38 GLY HAy 1.0 . 2.77 12 11 A 38 GLY H A 37 ASN HBx 1.0 . 4.40 13 12 A 38 GLY H A 37 ASN HBy 1.0 . 4.39 14 13 A 38 GLY H A 39 ILE HB 1.0 . 5.20 15 14 A 38 GLY H A 39 ILE HD1% 1.0 . 5.28 16 15 A 38 GLY H A 35 ASN HBx 1.0 . 5.02 17 15 A 38 GLY H A 35 ASN HBy 1.0 . 5.02 18 16 A 38 GLY H A 37 ASN HD2y 1.0 . 5.15 19 17 A 41 GLY H A 40 ASP HBx 1.0 . 4.35 20 18 A 41 GLY H A 56 GLU HGx 1.0 . 4.52 21 18 A 41 GLY H A 56 GLU HGy 1.0 . 4.52 22 19 A 9 GLY HAx A 11 THR H 1.0 . 4.28 23 20 A 11 THR H A 10 LYS HBx 1.0 . 3.59 24 20 A 11 THR H A 10 LYS HBy 1.0 . 3.59 25 21 A 11 THR H A 11 THR HG2% 1.0 . 4.06 26 22 A 13 LYS HA A 14 GLY H 1.0 . 2.68 27 23 A 14 GLY H A 7 ILE HG2% 1.0 . 3.76 28 24 A 14 GLY H A 7 ILE H 1.0 . 3.51 29 25 A 14 GLY H A 15 GLU HA 1.0 . 5.02 30 26 A 14 GLY H A 7 ILE HB 1.0 . 2.96 31 27 A 14 GLY H A 13 LYS HBy 1.0 . 4.48 32 28 A 14 GLY H A 13 LYS HBx 1.0 . 3.52 33 29 A 8 ASN H A 9 GLY H 1.0 . 4.22 34 30 A 9 GLY H A 8 ASN HA 1.0 . 2.90 35 31 A 13 LYS HA A 9 GLY H 1.0 . 3.57 36 32 A 9 GLY HAx A 9 GLY H 1.0 . 2.91 37 33 A 9 GLY H A 8 ASN HBx 1.0 . 4.54 38 34 A 9 GLY H A 8 ASN HBy 1.0 . 4.84 39 35 A 13 LYS HBy A 9 GLY H 1.0 . 3.97 40 36 A 9 GLY H A 13 LYS HGx 1.0 . 3.80 41 36 A 9 GLY H A 13 LYS HGy 1.0 . 3.80 42 37 A 7 ILE HG2% A 9 GLY H 1.0 . 3.66 43 38 A 4 LYS HA A 17 THR H 1.0 . 5.23 44 39 A 17 THR H A 16 THR HA 1.0 . 2.92 45 40 A 17 THR H A 16 THR HB 1.0 . 3.83 46 41 A 17 THR H A 17 THR HG2% 1.0 . 3.60 47 42 A 17 THR H A 16 THR HG2% 1.0 . 3.93 48 43 A 35 ASN HA A 35 ASN HD2y 1.0 . 4.91 49 44 A 35 ASN HA A 35 ASN HD2x 1.0 . 4.91 50 45 A 8 ASN HD2y A 55 THR HA 1.0 . 4.71 51 46 A 8 ASN HD2y A 55 THR HG2% 1.0 . 3.90 52 47 A 8 ASN HD2y A 53 THR HG2% 1.0 . 3.76 53 48 A 55 THR HA A 8 ASN HD2x 1.0 . 4.77 54 49 A 55 THR HG2% A 8 ASN HD2x 1.0 . 4.17 55 50 A 53 THR HG2% A 8 ASN HD2x 1.0 . 4.93 56 51 A 49 THR H A 51 THR H 1.0 . 4.17 57 52 A 51 THR H A 3 PHE HE% 1.0 . 5.00 58 53 A 51 THR H A 50 LYS HA 1.0 . 3.21 59 54 A 51 THR H A 51 THR HB 1.0 . 3.16 60 55 A 51 THR H A 46 ASP HBy 1.0 . 4.38 61 56 A 51 THR H A 46 ASP HBx 1.0 . 4.38 62 57 A 51 THR H A 50 LYS HBy 1.0 . 4.66 63 58 A 51 THR H A 50 LYS HBx 1.0 . 4.66 64 59 A 51 THR H A 50 LYS HDx 1.0 . 4.71 65 59 A 51 THR H A 50 LYS HDy 1.0 . 4.71 66 60 A 51 THR H A 51 THR HG2% 1.0 . 4.09 67 61 A 51 THR H A 52 PHE H 1.0 . 4.69 68 62 A 21 VAL H A 22 ASP H 1.0 . 3.24 69 63 A 22 ASP H A 20 ALA HA 1.0 . 4.67 70 64 A 22 ASP H A 25 THR HB 1.0 . 3.12 71 65 A 22 ASP H A 25 THR HA 1.0 . 4.91 72 66 A 22 ASP H A 22 ASP HBx 1.0 . 3.66 73 66 A 22 ASP H A 22 ASP HBy 1.0 . 3.66 74 67 A 22 ASP H A 20 ALA HB% 1.0 . 3.06 75 68 A 22 ASP H A 26 ALA HB% 1.0 . 4.52 76 69 A 21 VAL H A 20 ALA H 1.0 . 4.73 77 70 A 21 VAL H A 20 ALA HA 1.0 . 2.84 78 71 A 21 VAL H A 25 THR HA 1.0 . 5.50 79 72 A 21 VAL H A 21 VAL HB 1.0 . 3.71 80 73 A 21 VAL H A 20 ALA HB% 1.0 . 3.12 81 74 A 21 VAL H A 26 ALA HB% 1.0 . 4.84 82 75 A 3 PHE H A 18 THR H 1.0 . 3.53 83 76 A 18 THR H A 19 GLU H 1.0 . 4.51 84 77 A 17 THR H A 18 THR H 1.0 . 4.68 85 78 A 18 THR H A 17 THR HA 1.0 . 2.82 86 79 A 4 LYS HA A 18 THR H 1.0 . 4.59 87 80 A 18 THR H A 3 PHE HBx 1.0 . 4.96 88 81 A 18 THR H A 3 PHE HBy 1.0 . 4.42 89 82 A 20 ALA HB% A 18 THR H 1.0 . 5.50 90 83 A 18 THR H A 2 THR HG2% 1.0 . 4.42 91 84 A 17 THR HG2% A 18 THR H 1.0 . 4.71 92 85 A 18 THR H A 18 THR HG2% 1.0 . 3.36 93 86 A 26 ALA HB% A 18 THR H 1.0 . 4.37 94 87 A 16 THR HG2% A 18 THR H 1.0 . 5.50 95 88 A 44 THR H A 55 THR H 1.0 . 4.82 96 89 A 44 THR H A 52 PHE HD% 1.0 . 4.83 97 90 A 44 THR H A 52 PHE HA 1.0 . 5.42 98 91 A 44 THR H A 43 TRP HA 1.0 . 2.88 99 92 A 44 THR H A 54 VAL HA 1.0 . 4.14 100 93 A 44 THR H A 53 THR HB 1.0 . 4.72 101 94 A 44 THR H A 43 TRP HBx 1.0 . 3.81 102 95 A 44 THR H A 44 THR HG2% 1.0 . 3.99 103 96 A 53 THR HG2% A 44 THR H 1.0 . 4.79 104 97 A 32 GLN HA A 32 GLN HE2x 1.0 . 5.02 105 98 A 32 GLN HE2x A 35 ASN HBx 1.0 . 4.47 106 98 A 35 ASN HBy A 32 GLN HE2x 1.0 . 4.47 107 99 A 32 GLN HE2x A 32 GLN HGx 1.0 . 3.71 108 99 A 32 GLN HE2x A 32 GLN HGy 1.0 . 3.71 109 100 A 32 GLN HA A 32 GLN HE2y 1.0 . 5.02 110 101 A 32 GLN HE2y A 35 ASN HBx 1.0 . 4.47 111 101 A 35 ASN HBy A 32 GLN HE2y 1.0 . 4.47 112 102 A 32 GLN HE2y A 32 GLN HGx 1.0 . 3.71 113 102 A 32 GLN HGy A 32 GLN HE2y 1.0 . 3.71 114 103 A 17 THR H A 16 THR H 1.0 . 4.38 115 104 A 15 GLU HA A 16 THR H 1.0 . 2.61 116 105 A 4 LYS HA A 16 THR H 1.0 . 4.70 117 106 A 16 THR H A 6 ILE HA 1.0 . 4.77 118 107 A 16 THR HB A 16 THR H 1.0 . 3.87 119 108 A 16 THR H A 15 GLU HBy 1.0 . 3.86 120 109 A 16 THR H A 15 GLU HBx 1.0 . 3.86 121 110 A 16 THR H A 5 LEU HBx 1.0 . 3.73 122 111 A 16 THR H A 5 LEU HBy 1.0 . 4.56 123 112 A 16 THR H A 6 ILE HD1% 1.0 . 5.38 124 113 A 16 THR H A 7 ILE HD1% 1.0 . 5.50 125 114 A 16 THR H A 7 ILE HG1x 1.0 . 5.01 126 115 A 16 THR HG2% A 16 THR H 1.0 . 3.25 127 116 A 37 ASN HD2y A 37 ASN HA 1.0 . 5.10 128 117 A 37 ASN HD2y A 33 TYR HA 1.0 . 4.64 129 118 A 37 ASN HD2y A 34 ALA HA 1.0 . 4.92 130 119 A 37 ASN HD2y A 7 ILE HD1% 1.0 . 5.45 131 120 A 37 ASN HA A 37 ASN HD2x 1.0 . 5.06 132 121 A 33 TYR HA A 37 ASN HD2x 1.0 . 4.72 133 122 A 34 ALA HA A 37 ASN HD2x 1.0 . 5.35 134 123 A 37 ASN HBy A 37 ASN HD2x 1.0 . 3.72 135 124 A 37 ASN H A 37 ASN HD2y 1.0 . 3.68 136 125 A 37 ASN H A 37 ASN HD2x 1.0 . 4.20 137 126 A 39 ILE H A 37 ASN H 1.0 . 4.21 138 127 A 37 ASN H A 35 ASN H 1.0 . 4.60 139 128 A 37 ASN H A 37 ASN HBy 1.0 . 3.24 140 129 A 37 ASN H A 34 ALA HB% 1.0 . 5.00 141 130 A 37 ASN H A 39 ILE HD1% 1.0 . 4.92 142 131 A 22 ASP H A 25 THR H 1.0 . 4.15 143 132 A 25 THR H A 28 LYS H 1.0 . 5.32 144 133 A 25 THR HB A 25 THR H 1.0 . 2.95 145 134 A 25 THR H A 26 ALA HA 1.0 . 5.48 146 135 A 25 THR H A 22 ASP HBx 1.0 . 4.40 147 135 A 22 ASP HBy A 25 THR H 1.0 . 4.40 148 136 A 25 THR H A 24 ALA HB% 1.0 . 2.97 149 137 A 25 THR H A 21 VAL HGy% 1.0 . 4.41 150 138 A 26 ALA HB% A 25 THR H 1.0 . 4.54 151 139 A 28 LYS H A 29 VAL H 1.0 . 3.11 152 140 A 28 LYS H A 30 LEU H 1.0 . 4.38 153 141 A 28 LYS H A 24 ALA HA 1.0 . 4.28 154 142 A 28 LYS H A 26 ALA HA 1.0 . 4.54 155 143 A 28 LYS H A 28 LYS HBx 1.0 . 2.68 156 143 A 28 LYS H A 28 LYS HBy 1.0 . 2.68 157 144 A 28 LYS H A 27 GLU HGx 1.0 . 4.18 158 144 A 28 LYS H A 27 GLU HGy 1.0 . 4.18 159 145 A 28 LYS H A 28 LYS HGx 1.0 . 4.55 160 145 A 28 LYS H A 28 LYS HGy 1.0 . 4.55 161 146 A 26 ALA HB% A 28 LYS H 1.0 . 4.99 162 147 A 26 ALA H A 27 GLU H 1.0 . 3.15 163 148 A 28 LYS H A 27 GLU H 1.0 . 3.04 164 149 A 24 ALA HA A 27 GLU H 1.0 . 3.60 165 150 A 27 GLU H A 27 GLU HGx 1.0 . 4.23 166 150 A 27 GLU HGy A 27 GLU H 1.0 . 4.23 167 151 A 26 ALA HB% A 27 GLU H 1.0 . 3.04 168 152 A 1 MET H1 A 2 THR H 1.0 . 4.64 169 153 A 3 PHE H A 2 THR H 1.0 . 4.64 170 154 A 2 THR H A 19 GLU HA 1.0 . 5.19 171 155 A 2 THR H A 1 MET HA 1.0 . 2.71 172 156 A 2 THR H A 2 THR HB 1.0 . 3.01 173 157 A 2 THR HG2% A 2 THR H 1.0 . 4.01 174 158 A 52 PHE H A 53 THR H 1.0 . 4.82 175 159 A 53 THR H A 54 VAL H 1.0 . 4.79 176 160 A 52 PHE HD% A 53 THR H 1.0 . 4.15 177 161 A 52 PHE HA A 53 THR H 1.0 . 2.97 178 162 A 53 THR H A 45 TYR HA 1.0 . 4.03 179 163 A 53 THR H A 44 THR HB 1.0 . 5.31 180 164 A 53 THR HB A 53 THR H 1.0 . 3.37 181 165 A 53 THR H A 52 PHE HBx 1.0 . 3.68 182 165 A 53 THR H A 52 PHE HBy 1.0 . 3.68 183 166 A 44 THR HG2% A 53 THR H 1.0 . 4.73 184 167 A 53 THR HG2% A 53 THR H 1.0 . 3.99 185 168 A 15 GLU H A 14 GLY HAy 1.0 . 2.98 186 169 A 15 GLU H A 14 GLY HAx 1.0 . 2.98 187 170 A 16 THR HB A 15 GLU H 1.0 . 5.25 188 171 A 15 GLU H A 15 GLU HBy 1.0 . 4.08 189 172 A 15 GLU H A 15 GLU HBx 1.0 . 4.08 190 173 A 7 ILE HD1% A 15 GLU H 1.0 . 4.27 191 174 A 35 ASN H A 33 TYR H 1.0 . 4.36 192 175 A 35 ASN H A 43 TRP HZ2 1.0 . 4.94 193 176 A 35 ASN H A 33 TYR HD% 1.0 . 5.50 194 177 A 35 ASN H A 43 TRP HH2 1.0 . 5.24 195 178 A 32 GLN HA A 35 ASN H 1.0 . 3.91 196 179 A 35 ASN H A 35 ASN HBx 1.0 . 2.67 197 179 A 35 ASN HBy A 35 ASN H 1.0 . 2.67 198 180 A 35 ASN H A 34 ALA HB% 1.0 . 3.02 199 181 A 39 ILE HG2% A 35 ASN H 1.0 . 5.50 200 182 A 48 ALA H A 50 LYS H 1.0 . 3.90 201 183 A 51 THR H A 48 ALA H 1.0 . 5.50 202 184 A 49 THR H A 48 ALA H 1.0 . 3.03 203 185 A 48 ALA H A 46 ASP HA 1.0 . 3.83 204 186 A 48 ALA H A 49 THR HA 1.0 . 5.27 205 187 A 48 ALA H A 48 ALA HA 1.0 . 2.94 206 188 A 48 ALA H A 47 ASP HBy 1.0 . 4.08 207 189 A 48 ALA H A 47 ASP HBx 1.0 . 4.08 208 190 A 48 ALA H A 48 ALA HB% 1.0 . 2.64 209 191 A 48 ALA H A 49 THR HG2% 1.0 . 4.34 210 192 A 31 LYS H A 32 GLN H 1.0 . 3.16 211 193 A 32 GLN H A 29 VAL HA 1.0 . 3.69 212 194 A 32 GLN H A 33 TYR HBx 1.0 . 5.03 213 195 A 32 GLN H A 33 TYR HBy 1.0 . 4.80 214 196 A 32 GLN H A 35 ASN HBx 1.0 . 4.79 215 196 A 35 ASN HBy A 32 GLN H 1.0 . 4.79 216 197 A 32 GLN H A 32 GLN HGx 1.0 . 4.12 217 197 A 32 GLN HGy A 32 GLN H 1.0 . 4.12 218 198 A 32 GLN H A 32 GLN HBx 1.0 . 2.78 219 198 A 32 GLN H A 32 GLN HBy 1.0 . 2.78 220 199 A 32 GLN H A 29 VAL HGx% 1.0 . 4.56 221 200 A 32 GLN H A 31 LYS HGx 1.0 . 5.08 222 201 A 34 ALA HB% A 32 GLN H 1.0 . 5.41 223 202 A 32 GLN H A 31 LYS HGy 1.0 . 5.08 224 203 A 29 VAL H A 27 GLU H 1.0 . 4.79 225 204 A 29 VAL H A 27 GLU HA 1.0 . 5.19 226 205 A 26 ALA HA A 29 VAL H 1.0 . 3.74 227 206 A 29 VAL H A 30 LEU HA 1.0 . 5.19 228 207 A 29 VAL H A 29 VAL HB 1.0 . 2.90 229 208 A 29 VAL H A 30 LEU HBy 1.0 . 4.56 230 209 A 26 ALA HB% A 29 VAL H 1.0 . 4.72 231 210 A 42 GLU H A 43 TRP HD1 1.0 . 5.03 232 211 A 42 GLU H A 43 TRP H 1.0 . 4.49 233 212 A 42 GLU H A 56 GLU HA 1.0 . 3.66 234 213 A 42 GLU H A 55 THR HB 1.0 . 4.07 235 214 A 42 GLU H A 41 GLY HAx 1.0 . 2.96 236 215 A 42 GLU H A 56 GLU HGx 1.0 . 4.71 237 215 A 56 GLU HGy A 42 GLU H 1.0 . 4.71 238 216 A 55 THR HG2% A 42 GLU H 1.0 . 4.89 239 217 A 44 THR H A 45 TYR H 1.0 . 4.61 240 218 A 45 TYR H A 46 ASP H 1.0 . 4.84 241 219 A 52 PHE HA A 45 TYR H 1.0 . 5.08 242 220 A 45 TYR H A 44 THR HA 1.0 . 2.80 243 221 A 44 THR HB A 45 TYR H 1.0 . 3.26 244 222 A 45 TYR H A 45 TYR HBy 1.0 . 4.09 245 223 A 45 TYR H A 45 TYR HBx 1.0 . 4.09 246 224 A 44 THR HG2% A 45 TYR H 1.0 . 4.11 247 225 A 33 TYR H A 34 ALA H 1.0 . 3.09 248 226 A 36 ASP H A 33 TYR H 1.0 . 5.26 249 227 A 33 TYR H A 32 GLN H 1.0 . 3.19 250 228 A 33 TYR H A 33 TYR HD% 1.0 . 4.43 251 229 A 33 TYR H A 29 VAL HA 1.0 . 4.40 252 230 A 33 TYR H A 33 TYR HBx 1.0 . 3.00 253 231 A 33 TYR H A 33 TYR HBy 1.0 . 3.00 254 232 A 33 TYR H A 32 GLN HBx 1.0 . 3.16 255 232 A 33 TYR H A 32 GLN HBy 1.0 . 3.16 256 233 A 34 ALA HB% A 33 TYR H 1.0 . 4.65 257 234 A 33 TYR H A 30 LEU HBx 1.0 . 5.20 258 235 A 16 THR HG2% A 33 TYR H 1.0 . 5.31 259 236 A 23 ALA H A 24 ALA H 1.0 . 3.36 260 237 A 26 ALA H A 24 ALA H 1.0 . 4.44 261 238 A 24 ALA H A 22 ASP HA 1.0 . 4.41 262 239 A 24 ALA H A 22 ASP HBx 1.0 . 3.27 263 239 A 22 ASP HBy A 24 ALA H 1.0 . 3.27 264 240 A 24 ALA HB% A 24 ALA H 1.0 . 2.59 265 241 A 26 ALA HB% A 24 ALA H 1.0 . 5.46 266 242 A 40 ASP H A 39 ILE H 1.0 . 4.57 267 243 A 39 ILE H A 35 ASN HA 1.0 . 3.81 268 244 A 39 ILE H A 35 ASN HBx 1.0 . 5.13 269 244 A 39 ILE H A 35 ASN HBy 1.0 . 5.13 270 245 A 39 ILE H A 37 ASN HBx 1.0 . 4.76 271 246 A 39 ILE H A 37 ASN HBy 1.0 . 4.64 272 247 A 39 ILE H A 39 ILE HB 1.0 . 3.02 273 248 A 39 ILE HG2% A 39 ILE H 1.0 . 3.95 274 249 A 11 THR H A 10 LYS H 1.0 . 3.54 275 250 A 9 GLY H A 10 LYS H 1.0 . 4.52 276 251 A 10 LYS H A 12 LEU H 1.0 . 4.32 277 252 A 10 LYS H A 9 GLY HAy 1.0 . 2.99 278 253 A 9 GLY HAx A 10 LYS H 1.0 . 3.32 279 254 A 10 LYS H A 10 LYS HBx 1.0 . 2.89 280 254 A 10 LYS HBy A 10 LYS H 1.0 . 2.89 281 255 A 10 LYS H A 10 LYS HGx 1.0 . 3.20 282 255 A 10 LYS H A 10 LYS HGy 1.0 . 3.20 283 256 A 11 THR HG2% A 10 LYS H 1.0 . 4.84 284 257 A 33 TYR H A 31 LYS H 1.0 . 4.66 285 258 A 28 LYS H A 31 LYS H 1.0 . 5.14 286 259 A 43 TRP HH2 A 31 LYS H 1.0 . 4.45 287 260 A 31 LYS H A 43 TRP HZ3 1.0 . 5.10 288 261 A 31 LYS H A 28 LYS HA 1.0 . 4.19 289 262 A 31 LYS H A 27 GLU HA 1.0 . 4.21 290 263 A 31 LYS H A 32 GLN HBx 1.0 . 4.76 291 263 A 31 LYS H A 32 GLN HBy 1.0 . 4.76 292 264 A 31 LYS H A 30 LEU HBx 1.0 . 3.47 293 265 A 31 LYS H A 31 LYS HGy 1.0 . 3.83 294 266 A 31 LYS H A 31 LYS HGx 1.0 . 3.83 295 267 A 36 ASP H A 35 ASN H 1.0 . 3.20 296 268 A 36 ASP H A 37 ASN H 1.0 . 3.19 297 269 A 36 ASP H A 37 ASN HD2y 1.0 . 4.60 298 270 A 36 ASP H A 37 ASN HD2x 1.0 . 5.50 299 271 A 36 ASP H A 32 GLN HA 1.0 . 4.01 300 272 A 36 ASP H A 35 ASN HBx 1.0 . 2.95 301 272 A 36 ASP H A 35 ASN HBy 1.0 . 2.95 302 273 A 36 ASP H A 34 ALA HB% 1.0 . 4.70 303 274 A 43 TRP HZ2 A 34 ALA H 1.0 . 4.57 304 275 A 33 TYR HD% A 34 ALA H 1.0 . 3.66 305 276 A 43 TRP HH2 A 34 ALA H 1.0 . 4.13 306 277 A 33 TYR HBx A 34 ALA H 1.0 . 3.11 307 278 A 33 TYR HBy A 34 ALA H 1.0 . 3.90 308 279 A 34 ALA H A 35 ASN HBx 1.0 . 4.42 309 279 A 35 ASN HBy A 34 ALA H 1.0 . 4.42 310 280 A 34 ALA H A 32 GLN HBx 1.0 . 4.95 311 280 A 32 GLN HBy A 34 ALA H 1.0 . 4.95 312 281 A 34 ALA HB% A 34 ALA H 1.0 . 2.73 313 282 A 34 ALA H A 30 LEU HBx 1.0 . 5.32 314 283 A 28 LYS H A 26 ALA H 1.0 . 4.44 315 284 A 25 THR H A 26 ALA H 1.0 . 3.13 316 285 A 25 THR HB A 26 ALA H 1.0 . 2.98 317 286 A 26 ALA H A 22 ASP HBx 1.0 . 4.82 318 286 A 22 ASP HBy A 26 ALA H 1.0 . 4.82 319 287 A 26 ALA H A 27 GLU HA 1.0 . 5.22 320 288 A 26 ALA H A 27 GLU HBx 1.0 . 4.94 321 289 A 26 ALA H A 27 GLU HBy 1.0 . 4.94 322 290 A 26 ALA H A 25 THR HG2% 1.0 . 3.83 323 291 A 20 ALA HB% A 26 ALA H 1.0 . 3.22 324 292 A 18 THR HG2% A 26 ALA H 1.0 . 5.09 325 293 A 21 VAL HGy% A 26 ALA H 1.0 . 5.50 326 294 A 26 ALA HB% A 26 ALA H 1.0 . 2.78 327 295 A 12 LEU H A 13 LYS H 1.0 . 4.36 328 296 A 13 LYS H A 12 LEU HA 1.0 . 2.66 329 297 A 9 GLY HAx A 13 LYS H 1.0 . 5.50 330 298 A 13 LYS HBx A 13 LYS H 1.0 . 3.90 331 299 A 13 LYS HBy A 13 LYS H 1.0 . 3.37 332 300 A 54 VAL H A 6 ILE H 1.0 . 4.23 333 301 A 54 VAL H A 53 THR HA 1.0 . 2.87 334 302 A 54 VAL H A 7 ILE HA 1.0 . 3.85 335 303 A 53 THR HB A 54 VAL H 1.0 . 4.43 336 304 A 54 VAL H A 6 ILE HB 1.0 . 4.31 337 305 A 54 VAL H A 7 ILE HG1y 1.0 . 5.25 338 306 A 54 VAL H A 5 LEU HG 1.0 . 5.50 339 307 A 53 THR HG2% A 54 VAL H 1.0 . 3.28 340 308 A 54 VAL H A 54 VAL HB 1.0 . 4.17 341 309 A 51 THR H A 50 LYS H 1.0 . 3.31 342 310 A 49 THR H A 50 LYS H 1.0 . 2.92 343 311 A 3 PHE HE% A 50 LYS H 1.0 . 5.33 344 312 A 50 LYS H A 51 THR HA 1.0 . 5.48 345 313 A 50 LYS HA A 50 LYS H 1.0 . 2.82 346 314 A 51 THR HB A 50 LYS H 1.0 . 5.28 347 315 A 50 LYS H A 50 LYS HDx 1.0 . 3.83 348 315 A 50 LYS HDy A 50 LYS H 1.0 . 3.83 349 316 A 55 THR H A 54 VAL HGx% 1.0 . 4.47 350 317 A 55 THR H A 54 VAL HGy% 1.0 . 4.47 351 318 A 53 THR HG2% A 55 THR H 1.0 . 4.76 352 319 A 55 THR HG2% A 55 THR H 1.0 . 4.10 353 320 A 55 THR H A 54 VAL HA 1.0 . 2.75 354 321 A 55 THR H A 56 GLU HA 1.0 . 5.11 355 322 A 55 THR H A 41 GLY HAx 1.0 . 5.35 356 323 A 55 THR H A 55 THR HB 1.0 . 3.25 357 324 A 55 THR H A 42 GLU H 1.0 . 4.22 358 325 A 55 THR H A 43 TRP HA 1.0 . 4.22 359 326 A 48 ALA H A 47 ASP H 1.0 . 3.50 360 327 A 46 ASP H A 47 ASP H 1.0 . 4.71 361 328 A 49 THR H A 47 ASP H 1.0 . 5.01 362 329 A 46 ASP HA A 47 ASP H 1.0 . 2.76 363 330 A 47 ASP H A 47 ASP HBy 1.0 . 3.19 364 331 A 47 ASP H A 47 ASP HBx 1.0 . 3.19 365 332 A 48 ALA HB% A 47 ASP H 1.0 . 4.66 366 333 A 17 THR HA A 5 LEU H 1.0 . 3.87 367 334 A 4 LYS HA A 5 LEU H 1.0 . 2.89 368 335 A 16 THR HA A 5 LEU H 1.0 . 5.35 369 336 A 5 LEU H A 4 LYS HBx 1.0 . 4.09 370 337 A 5 LEU HBx A 5 LEU H 1.0 . 3.50 371 338 A 5 LEU HBy A 5 LEU H 1.0 . 3.47 372 339 A 17 THR HG2% A 5 LEU H 1.0 . 3.87 373 340 A 16 THR HG2% A 5 LEU H 1.0 . 4.11 374 341 A 20 ALA H A 1 MET H1 1.0 . 3.47 375 342 A 20 ALA H A 19 GLU H 1.0 . 4.61 376 343 A 20 ALA H A 3 PHE HD% 1.0 . 3.76 377 344 A 20 ALA H A 19 GLU HA 1.0 . 2.78 378 345 A 20 ALA H A 3 PHE HBy 1.0 . 5.50 379 346 A 20 ALA H A 19 GLU HGx 1.0 . 4.02 380 346 A 20 ALA H A 19 GLU HGy 1.0 . 4.02 381 347 A 20 ALA HB% A 20 ALA H 1.0 . 3.42 382 348 A 26 ALA HB% A 20 ALA H 1.0 . 4.73 383 349 A 9 GLY H A 12 LEU H 1.0 . 4.78 384 350 A 11 THR H A 12 LEU H 1.0 . 2.95 385 351 A 9 GLY HAx A 12 LEU H 1.0 . 3.74 386 352 A 12 LEU H A 12 LEU HBy 1.0 . 3.35 387 353 A 12 LEU H A 12 LEU HBx 1.0 . 3.35 388 354 A 11 THR HG2% A 12 LEU H 1.0 . 4.28 389 355 A 7 ILE HG2% A 12 LEU H 1.0 . 5.44 390 356 A 19 GLU H A 18 THR HA 1.0 . 2.93 391 357 A 19 GLU H A 19 GLU HGx 1.0 . 3.88 392 357 A 19 GLU H A 19 GLU HGy 1.0 . 3.88 393 358 A 20 ALA HB% A 19 GLU H 1.0 . 4.93 394 359 A 19 GLU H A 18 THR HG2% 1.0 . 4.25 395 360 A 26 ALA HB% A 19 GLU H 1.0 . 5.50 396 361 A 7 ILE H A 15 GLU HA 1.0 . 3.70 397 362 A 13 LYS HA A 7 ILE H 1.0 . 5.24 398 363 A 7 ILE H A 6 ILE HA 1.0 . 2.81 399 364 A 7 ILE H A 6 ILE HG1y 1.0 . 5.01 400 365 A 7 ILE H A 6 ILE HD1% 1.0 . 3.52 401 366 A 3 PHE H A 3 PHE HD% 1.0 . 3.68 402 367 A 3 PHE H A 19 GLU HA 1.0 . 3.89 403 368 A 3 PHE H A 2 THR HB 1.0 . 4.35 404 369 A 3 PHE H A 3 PHE HBx 1.0 . 4.08 405 370 A 3 PHE H A 19 GLU HGx 1.0 . 5.18 406 370 A 3 PHE H A 19 GLU HGy 1.0 . 5.18 407 371 A 3 PHE H A 2 THR HG2% 1.0 . 3.53 408 372 A 26 ALA HB% A 3 PHE H 1.0 . 4.60 409 373 A 7 ILE H A 6 ILE H 1.0 . 4.71 410 374 A 6 ILE H A 5 LEU HA 1.0 . 3.02 411 375 A 6 ILE H A 53 THR HA 1.0 . 3.49 412 376 A 6 ILE H A 52 PHE HBx 1.0 . 4.47 413 376 A 52 PHE HBy A 6 ILE H 1.0 . 4.47 414 377 A 6 ILE H A 6 ILE HB 1.0 . 3.34 415 378 A 5 LEU HBx A 6 ILE H 1.0 . 4.69 416 379 A 53 THR HG2% A 6 ILE H 1.0 . 4.75 417 380 A 6 ILE HD1% A 6 ILE H 1.0 . 4.04 418 381 A 6 ILE H A 6 ILE HG1y 1.0 . 3.80 419 382 A 51 THR H A 46 ASP H 1.0 . 4.03 420 383 A 53 THR H A 46 ASP H 1.0 . 5.37 421 384 A 3 PHE HE% A 46 ASP H 1.0 . 5.50 422 385 A 52 PHE HA A 46 ASP H 1.0 . 4.04 423 386 A 45 TYR HA A 46 ASP H 1.0 . 2.96 424 387 A 46 ASP H A 47 ASP HA 1.0 . 5.50 425 388 A 50 LYS HA A 46 ASP H 1.0 . 5.50 426 389 A 51 THR HB A 46 ASP H 1.0 . 4.82 427 390 A 46 ASP H A 46 ASP HBy 1.0 . 3.81 428 391 A 46 ASP H A 46 ASP HBx 1.0 . 3.81 429 392 A 51 THR HG2% A 46 ASP H 1.0 . 5.18 430 393 A 40 ASP H A 39 ILE HA 1.0 . 2.66 431 394 A 40 ASP H A 40 ASP HBy 1.0 . 4.07 432 395 A 40 ASP H A 40 ASP HBx 1.0 . 4.07 433 396 A 40 ASP H A 56 GLU HGx 1.0 . 3.80 434 396 A 40 ASP H A 56 GLU HGy 1.0 . 3.80 435 397 A 40 ASP H A 39 ILE HB 1.0 . 4.36 436 398 A 40 ASP H A 39 ILE HG2% 1.0 . 3.28 437 399 A 43 TRP HD1 A 43 TRP H 1.0 . 3.45 438 400 A 43 TRP HE1 A 43 TRP H 1.0 . 5.50 439 401 A 43 TRP H A 42 GLU HA 1.0 . 2.79 440 402 A 43 TRP HBx A 43 TRP H 1.0 . 3.70 441 403 A 43 TRP H A 43 TRP HBy 1.0 . 3.21 442 404 A 8 ASN H A 54 VAL H 1.0 . 3.97 443 405 A 8 ASN H A 55 THR HA 1.0 . 4.61 444 406 A 8 ASN H A 7 ILE HA 1.0 . 2.74 445 407 A 8 ASN H A 8 ASN HBx 1.0 . 3.56 446 408 A 8 ASN H A 8 ASN HBy 1.0 . 3.53 447 409 A 8 ASN H A 13 LYS HGx 1.0 . 4.59 448 409 A 8 ASN H A 13 LYS HGy 1.0 . 4.59 449 410 A 7 ILE HG2% A 8 ASN H 1.0 . 3.62 450 411 A 52 PHE H A 6 ILE H 1.0 . 4.61 451 412 A 52 PHE H A 52 PHE HD% 1.0 . 3.49 452 413 A 52 PHE H A 52 PHE HE% 1.0 . 5.42 453 414 A 52 PHE H A 5 LEU HA 1.0 . 3.95 454 415 A 52 PHE H A 51 THR HA 1.0 . 2.96 455 416 A 51 THR HB A 52 PHE H 1.0 . 4.64 456 417 A 52 PHE H A 52 PHE HBx 1.0 . 3.41 457 417 A 52 PHE H A 52 PHE HBy 1.0 . 3.41 458 418 A 52 PHE H A 4 LYS HBx 1.0 . 4.54 459 419 A 52 PHE H A 4 LYS HBy 1.0 . 5.50 460 420 A 52 PHE H A 5 LEU HBy 1.0 . 5.45 461 421 A 51 THR HG2% A 52 PHE H 1.0 . 3.46 462 422 A 43 TRP HE1 A 40 ASP HA 1.0 . 4.18 463 423 A 43 TRP HE1 A 34 ALA HB% 1.0 . 4.07 464 424 A 43 TRP HE1 A 54 VAL HGy% 1.0 . 4.33 465 425 A 43 TRP HE1 A 54 VAL HGx% 1.0 . 4.33 466 426 A 49 THR H A 46 ASP HBy 1.0 . 5.00 467 427 A 49 THR H A 46 ASP HBx 1.0 . 5.00 468 428 A 49 THR H A 48 ALA HB% 1.0 . 3.55 469 429 A 49 THR H A 49 THR HG2% 1.0 . 3.62 470 430 A 49 THR H A 51 THR HB 1.0 . 5.46 471 431 A 8 ASN HBx A 56 GLU H 1.0 . 4.15 472 432 A 8 ASN H A 56 GLU H 1.0 . 4.62 473 433 A 10 LYS H A 56 GLU H 1.0 . 5.31 474 434 A 55 THR H A 56 GLU H 1.0 . 4.41 475 435 A 55 THR HA A 56 GLU H 1.0 . 3.09 476 436 A 9 GLY HAy A 56 GLU H 1.0 . 3.77 477 437 A 9 GLY HAx A 56 GLU H 1.0 . 5.40 478 438 A 55 THR HB A 56 GLU H 1.0 . 4.32 479 439 A 8 ASN HBy A 56 GLU H 1.0 . 4.86 480 440 A 56 GLU H A 56 GLU HBy 1.0 . 3.71 481 441 A 56 GLU H A 56 GLU HBx 1.0 . 3.71 482 442 A 55 THR HG2% A 56 GLU H 1.0 . 3.43 483 443 A 39 ILE HG2% A 56 GLU H 1.0 . 5.44 484 444 A 1 MET H1 A 19 GLU HA 1.0 . 4.49 485 445 A 1 MET H1 A 21 VAL HA 1.0 . 4.27 486 446 A 20 ALA HB% A 1 MET H1 1.0 . 5.03 487 447 A 1 MET H1 A 21 VAL HGx% 1.0 . 5.05 488 448 A 3 PHE H A 4 LYS H 1.0 . 4.71 489 449 A 52 PHE H A 4 LYS H 1.0 . 4.28 490 450 A 3 PHE HD% A 4 LYS H 1.0 . 4.42 491 451 A 4 LYS H A 3 PHE HA 1.0 . 2.69 492 452 A 3 PHE HBx A 4 LYS H 1.0 . 2.90 493 453 A 3 PHE HBy A 4 LYS H 1.0 . 4.18 494 454 A 4 LYS HBx A 4 LYS H 1.0 . 3.36 495 455 A 4 LYS HBy A 4 LYS H 1.0 . 3.49 496 456 A 4 LYS H A 4 LYS HGx 1.0 . 4.53 497 456 A 4 LYS H A 4 LYS HGy 1.0 . 4.53 498 457 A 51 THR HG2% A 4 LYS H 1.0 . 4.17 499 458 A 29 VAL H A 30 LEU H 1.0 . 3.10 500 459 A 30 LEU H A 29 VAL HB 1.0 . 3.11 501 460 A 18 THR HG2% A 30 LEU H 1.0 . 3.41 502 461 A 23 ALA H A 22 ASP HA 1.0 . 2.94 503 462 A 23 ALA H A 23 ALA HB% 1.0 . 2.88 504 463 A 23 ALA H A 22 ASP HBx 1.0 . 2.90 505 463 A 22 ASP HBy A 23 ALA H 1.0 . 2.90 506 464 A 11 THR HG2% A 11 THR HA 1.0 . 3.33 507 465 A 3 PHE HD% A 3 PHE HA 1.0 . 4.23 508 466 A 3 PHE HBy A 52 PHE HE% 1.0 . 5.50 509 467 A 4 LYS HA A 17 THR HG2% 1.0 . 3.59 510 468 A 4 LYS HA A 4 LYS HGx 1.0 . 4.18 511 468 A 4 LYS HA A 4 LYS HGy 1.0 . 4.18 512 469 A 4 LYS HBy A 3 PHE HA 1.0 . 4.97 513 470 A 6 ILE HD1% A 4 LYS HDx 1.0 . 4.47 514 470 A 6 ILE HD1% A 4 LYS HDy 1.0 . 4.47 515 471 A 28 LYS HA A 28 LYS HDx 1.0 . 4.57 516 471 A 28 LYS HA A 28 LYS HDy 1.0 . 4.57 517 472 A 52 PHE HD% A 5 LEU HA 1.0 . 4.99 518 473 A 5 LEU HA A 52 PHE HBx 1.0 . 4.03 519 473 A 52 PHE HBy A 5 LEU HA 1.0 . 4.03 520 474 A 5 LEU HBx A 7 ILE HG1x 1.0 . 4.73 521 475 A 5 LEU HBy A 5 LEU HDx% 1.0 . 4.11 522 476 A 43 TRP HH2 A 5 LEU HDx% 1.0 . 4.12 523 477 A 5 LEU HBx A 5 LEU HDx% 1.0 . 3.98 524 478 A 7 ILE HG1y A 5 LEU HDx% 1.0 . 3.82 525 479 A 43 TRP HH2 A 5 LEU HDy% 1.0 . 4.12 526 480 A 5 LEU HBy A 5 LEU HDy% 1.0 . 4.11 527 481 A 5 LEU HBx A 5 LEU HDy% 1.0 . 3.98 528 482 A 6 ILE HA A 6 ILE HG1x 1.0 . 4.11 529 483 A 6 ILE HA A 6 ILE HD1% 1.0 . 3.54 530 484 A 6 ILE HA A 6 ILE HG1y 1.0 . 4.11 531 485 A 53 THR HG2% A 6 ILE HB 1.0 . 4.27 532 486 A 6 ILE HD1% A 6 ILE HB 1.0 . 3.56 533 487 A 6 ILE HG1x A 6 ILE HG2% 1.0 . 3.54 534 488 A 8 ASN HBy A 6 ILE HG2% 1.0 . 4.22 535 489 A 6 ILE HA A 6 ILE HG2% 1.0 . 3.41 536 490 A 13 LYS HA A 7 ILE HB 1.0 . 4.92 537 491 A 7 ILE HG1y A 5 LEU HDy% 1.0 . 3.82 538 492 A 7 ILE HA A 7 ILE HG1y 1.0 . 3.88 539 493 A 7 ILE HD1% A 7 ILE HA 1.0 . 4.53 540 494 A 7 ILE HD1% A 14 GLY HAx 1.0 . 4.88 541 495 A 15 GLU HA A 7 ILE HD1% 1.0 . 4.38 542 496 A 7 ILE HD1% A 33 TYR HE% 1.0 . 3.74 543 497 A 7 ILE HG2% A 7 ILE HA 1.0 . 3.29 544 498 A 13 LYS HA A 7 ILE HG2% 1.0 . 4.18 545 499 A 8 ASN HA A 7 ILE HA 1.0 . 4.96 546 500 A 13 LYS HBy A 8 ASN HA 1.0 . 5.07 547 501 A 8 ASN HA A 13 LYS HGx 1.0 . 4.29 548 501 A 8 ASN HA A 13 LYS HGy 1.0 . 4.29 549 502 A 8 ASN HA A 6 ILE HD1% 1.0 . 5.50 550 503 A 8 ASN HBx A 55 THR HA 1.0 . 4.02 551 504 A 8 ASN HBy A 55 THR HA 1.0 . 4.07 552 505 A 8 ASN HBy A 53 THR HG2% 1.0 . 4.87 553 506 A 8 ASN HBy A 6 ILE HD1% 1.0 . 5.50 554 507 A 9 GLY HAy A 56 GLU HGx 1.0 . 4.23 555 507 A 56 GLU HGy A 9 GLY HAy 1.0 . 4.23 556 508 A 7 ILE HG2% A 9 GLY HAy 1.0 . 4.61 557 509 A 9 GLY HAx A 7 ILE HG2% 1.0 . 4.09 558 510 A 9 GLY HAx A 56 GLU HBx 1.0 . 4.97 559 511 A 9 GLY HAx A 56 GLU HBy 1.0 . 4.97 560 512 A 10 LYS HA A 10 LYS HGx 1.0 . 3.48 561 512 A 10 LYS HGy A 10 LYS HA 1.0 . 3.48 562 513 A 43 TRP HH2 A 31 LYS HA 1.0 . 3.94 563 514 A 43 TRP HZ2 A 31 LYS HA 1.0 . 3.91 564 515 A 10 LYS HBy A 10 LYS HGx 1.0 . 3.00 565 515 A 10 LYS HBx A 10 LYS HGx 1.0 . 3.00 566 515 A 10 LYS HGy A 10 LYS HBx 1.0 . 3.00 567 515 A 10 LYS HBy A 10 LYS HGy 1.0 . 3.00 568 516 A 10 LYS HDy A 10 LYS HGx 1.0 . 2.56 569 516 A 10 LYS HDx A 10 LYS HGx 1.0 . 2.56 570 516 A 10 LYS HGy A 10 LYS HDx 1.0 . 2.56 571 516 A 10 LYS HGy A 10 LYS HDy 1.0 . 2.56 572 517 A 10 LYS HA A 10 LYS HDx 1.0 . 4.03 573 517 A 10 LYS HA A 10 LYS HDy 1.0 . 4.03 574 518 A 11 THR HA A 10 LYS HBx 1.0 . 5.07 575 518 A 10 LYS HBy A 11 THR HA 1.0 . 5.07 576 519 A 13 LYS HA A 13 LYS HGx 1.0 . 3.83 577 519 A 13 LYS HA A 13 LYS HGy 1.0 . 3.83 578 520 A 13 LYS HDy A 13 LYS HGx 1.0 . 2.78 579 520 A 13 LYS HDx A 13 LYS HGx 1.0 . 2.78 580 520 A 13 LYS HGy A 13 LYS HDx 1.0 . 2.78 581 520 A 13 LYS HGy A 13 LYS HDy 1.0 . 2.78 582 521 A 41 GLY HAy A 56 GLU HGx 1.0 . 4.70 583 521 A 56 GLU HGy A 41 GLY HAy 1.0 . 4.70 584 522 A 7 ILE HD1% A 14 GLY HAy 1.0 . 4.88 585 523 A 15 GLU HA A 6 ILE HA 1.0 . 3.56 586 524 A 15 GLU HA A 7 ILE HG1y 1.0 . 5.01 587 525 A 15 GLU HA A 6 ILE HG1y 1.0 . 5.50 588 526 A 15 GLU HA A 6 ILE HD1% 1.0 . 4.40 589 527 A 15 GLU HA A 16 THR HG2% 1.0 . 5.09 590 528 A 6 ILE HD1% A 15 GLU HGx 1.0 . 5.35 591 528 A 6 ILE HD1% A 15 GLU HGy 1.0 . 5.35 592 529 A 16 THR HA A 16 THR HG2% 1.0 . 4.11 593 530 A 16 THR HA A 17 THR HA 1.0 . 4.71 594 531 A 16 THR HB A 33 TYR HE% 1.0 . 4.80 595 532 A 16 THR HG2% A 30 LEU HA 1.0 . 4.83 596 533 A 16 THR HG2% A 17 THR HA 1.0 . 4.34 597 534 A 16 THR HG2% A 33 TYR HD% 1.0 . 4.34 598 535 A 16 THR HG2% A 33 TYR HE% 1.0 . 4.17 599 536 A 16 THR HG2% A 5 LEU HBx 1.0 . 3.51 600 537 A 16 THR HG2% A 5 LEU HBy 1.0 . 3.74 601 538 A 4 LYS HA A 17 THR HA 1.0 . 3.15 602 539 A 17 THR HG2% A 17 THR HA 1.0 . 3.31 603 540 A 26 ALA HB% A 17 THR HA 1.0 . 5.50 604 541 A 18 THR HG2% A 18 THR HA 1.0 . 3.98 605 542 A 18 THR HG2% A 30 LEU HG 1.0 . 3.48 606 543 A 3 PHE HBy A 18 THR HG2% 1.0 . 3.80 607 544 A 3 PHE HBx A 18 THR HG2% 1.0 . 4.29 608 545 A 18 THR HG2% A 3 PHE HD% 1.0 . 4.48 609 546 A 26 ALA HB% A 18 THR HG2% 1.0 . 3.15 610 547 A 2 THR HG2% A 19 GLU HA 1.0 . 4.76 611 548 A 19 GLU HA A 3 PHE HD% 1.0 . 4.85 612 549 A 20 ALA HA A 21 VAL HGx% 1.0 . 4.69 613 550 A 20 ALA HA A 21 VAL HGy% 1.0 . 5.01 614 551 A 20 ALA HB% A 18 THR HG2% 1.0 . 3.63 615 552 A 20 ALA HB% A 21 VAL HGy% 1.0 . 4.02 616 553 A 20 ALA HB% A 26 ALA HA 1.0 . 3.56 617 554 A 25 THR HA A 20 ALA HB% 1.0 . 4.47 618 555 A 25 THR HB A 20 ALA HB% 1.0 . 3.73 619 556 A 20 ALA HB% A 3 PHE HD% 1.0 . 3.96 620 557 A 21 VAL HA A 21 VAL HGx% 1.0 . 3.44 621 558 A 24 ALA HA A 27 GLU HBy 1.0 . 4.15 622 559 A 24 ALA HA A 27 GLU HBx 1.0 . 4.15 623 560 A 25 THR HA A 28 LYS HBx 1.0 . 4.24 624 560 A 25 THR HA A 28 LYS HBy 1.0 . 4.24 625 561 A 25 THR HA A 25 THR HG2% 1.0 . 3.54 626 562 A 25 THR HB A 21 VAL HGy% 1.0 . 4.55 627 563 A 8 ASN HBx A 55 THR HG2% 1.0 . 3.91 628 564 A 8 ASN HBy A 55 THR HG2% 1.0 . 4.34 629 565 A 55 THR HA A 55 THR HG2% 1.0 . 3.31 630 566 A 26 ALA HA A 29 VAL HB 1.0 . 3.89 631 567 A 18 THR HG2% A 26 ALA HA 1.0 . 3.64 632 568 A 20 ALA HB% A 26 ALA HB% 1.0 . 3.18 633 569 A 26 ALA HB% A 3 PHE HBy 1.0 . 3.81 634 570 A 26 ALA HB% A 3 PHE HBx 1.0 . 3.48 635 571 A 26 ALA HB% A 52 PHE HE% 1.0 . 3.94 636 572 A 26 ALA HB% A 3 PHE HD% 1.0 . 3.80 637 573 A 27 GLU HA A 30 LEU HBy 1.0 . 3.51 638 574 A 27 GLU HA A 27 GLU HGx 1.0 . 3.86 639 574 A 27 GLU HGy A 27 GLU HA 1.0 . 3.86 640 575 A 52 PHE HE% A 27 GLU HGx 1.0 . 4.64 641 575 A 27 GLU HGy A 52 PHE HE% 1.0 . 4.64 642 576 A 29 VAL HA A 32 GLN HBx 1.0 . 3.81 643 576 A 29 VAL HA A 32 GLN HBy 1.0 . 3.81 644 577 A 18 THR HG2% A 29 VAL HB 1.0 . 3.38 645 578 A 53 THR HG2% A 53 THR HA 1.0 . 3.30 646 579 A 8 ASN HBx A 53 THR HG2% 1.0 . 4.05 647 580 A 26 ALA HA A 29 VAL HGy% 1.0 . 4.11 648 581 A 33 TYR HBx A 30 LEU HA 1.0 . 3.93 649 582 A 33 TYR HBy A 30 LEU HA 1.0 . 4.22 650 583 A 5 LEU HBx A 30 LEU HA 1.0 . 5.32 651 584 A 5 LEU HBx A 30 LEU HBx 1.0 . 4.92 652 585 A 32 GLN HA A 35 ASN HBx 1.0 . 3.48 653 585 A 35 ASN HBy A 32 GLN HA 1.0 . 3.48 654 586 A 32 GLN HA A 32 GLN HGx 1.0 . 3.81 655 586 A 32 GLN HA A 32 GLN HGy 1.0 . 3.81 656 587 A 32 GLN HBx A 32 GLN HGx 1.0 . 2.86 657 587 A 32 GLN HBy A 32 GLN HGx 1.0 . 2.86 658 587 A 32 GLN HGy A 32 GLN HBx 1.0 . 2.86 659 587 A 32 GLN HGy A 32 GLN HBy 1.0 . 2.86 660 588 A 33 TYR HA A 33 TYR HD% 1.0 . 4.01 661 589 A 33 TYR HA A 36 ASP HBx 1.0 . 4.04 662 590 A 34 ALA HA A 33 TYR HD% 1.0 . 4.23 663 591 A 34 ALA HA A 39 ILE HG1x 1.0 . 4.60 664 591 A 34 ALA HA A 39 ILE HG1y 1.0 . 4.60 665 592 A 39 ILE HD1% A 34 ALA HA 1.0 . 4.13 666 593 A 37 ASN HBy A 34 ALA HA 1.0 . 4.22 667 594 A 37 ASN HBx A 34 ALA HA 1.0 . 4.82 668 595 A 39 ILE HG2% A 34 ALA HB% 1.0 . 3.58 669 596 A 34 ALA HB% A 31 LYS HA 1.0 . 3.52 670 597 A 34 ALA HB% A 43 TRP HH2 1.0 . 3.71 671 598 A 34 ALA HB% A 33 TYR HD% 1.0 . 4.69 672 599 A 34 ALA HB% A 43 TRP HZ2 1.0 . 3.41 673 600 A 33 TYR HA A 36 ASP HBy 1.0 . 4.04 674 601 A 37 ASN HBx A 7 ILE HD1% 1.0 . 5.50 675 602 A 37 ASN HBx A 39 ILE HG1x 1.0 . 4.73 676 602 A 37 ASN HBx A 39 ILE HG1y 1.0 . 4.73 677 603 A 37 ASN HBy A 39 ILE HG1x 1.0 . 4.80 678 603 A 37 ASN HBy A 39 ILE HG1y 1.0 . 4.80 679 604 A 35 ASN HA A 38 GLY HAx 1.0 . 4.84 680 604 A 35 ASN HA A 38 GLY HAy 1.0 . 4.84 681 605 A 39 ILE HA A 39 ILE HG1x 1.0 . 3.91 682 605 A 39 ILE HA A 39 ILE HG1y 1.0 . 3.91 683 606 A 39 ILE HD1% A 56 GLU HGx 1.0 . 5.11 684 606 A 39 ILE HD1% A 56 GLU HGy 1.0 . 5.11 685 607 A 37 ASN HBx A 39 ILE HD1% 1.0 . 4.43 686 608 A 35 ASN HA A 39 ILE HD1% 1.0 . 5.28 687 609 A 39 ILE HD1% A 39 ILE HA 1.0 . 3.92 688 610 A 39 ILE HD1% A 33 TYR HE% 1.0 . 5.16 689 611 A 39 ILE HD1% A 33 TYR HD% 1.0 . 5.16 690 612 A 37 ASN HBy A 39 ILE HD1% 1.0 . 4.30 691 613 A 39 ILE HG2% A 39 ILE HG1x 1.0 . 3.46 692 613 A 39 ILE HG2% A 39 ILE HG1y 1.0 . 3.46 693 614 A 39 ILE HG2% A 56 GLU HGx 1.0 . 3.78 694 614 A 39 ILE HG2% A 56 GLU HGy 1.0 . 3.78 695 615 A 39 ILE HG2% A 39 ILE HA 1.0 . 3.45 696 616 A 40 ASP HA A 39 ILE HG2% 1.0 . 4.69 697 617 A 41 GLY HAx A 56 GLU HGx 1.0 . 4.67 698 617 A 56 GLU HGy A 41 GLY HAx 1.0 . 4.67 699 618 A 55 THR HB A 42 GLU HBy 1.0 . 4.96 700 619 A 55 THR HB A 42 GLU HBx 1.0 . 4.96 701 620 A 43 TRP HA A 54 VAL HA 1.0 . 3.56 702 621 A 52 PHE HD% A 43 TRP HBx 1.0 . 4.88 703 622 A 53 THR HB A 44 THR HG2% 1.0 . 4.38 704 623 A 44 THR HG2% A 44 THR HA 1.0 . 3.30 705 624 A 45 TYR HA A 52 PHE HBx 1.0 . 4.95 706 624 A 45 TYR HA A 52 PHE HBy 1.0 . 4.95 707 625 A 52 PHE HA A 45 TYR HA 1.0 . 3.57 708 626 A 45 TYR HA A 45 TYR HD% 1.0 . 5.43 709 627 A 52 PHE HD% A 45 TYR HA 1.0 . 5.50 710 628 A 50 LYS HA A 51 THR HA 1.0 . 4.95 711 629 A 50 LYS HA A 3 PHE HD% 1.0 . 4.73 712 630 A 49 THR HA A 48 ALA HB% 1.0 . 4.67 713 631 A 49 THR HA A 49 THR HG2% 1.0 . 3.14 714 632 A 48 ALA HB% A 49 THR HG2% 1.0 . 3.28 715 633 A 51 THR HG2% A 51 THR HA 1.0 . 3.36 716 634 A 3 PHE HD% A 50 LYS HBy 1.0 . 5.08 717 635 A 3 PHE HD% A 50 LYS HBx 1.0 . 5.08 718 636 A 8 ASN HA A 13 LYS HDx 1.0 . 4.26 719 636 A 8 ASN HA A 13 LYS HDy 1.0 . 4.26 720 637 A 51 THR HA A 4 LYS HBx 1.0 . 4.07 721 638 A 51 THR HA A 4 LYS HBy 1.0 . 4.93 722 639 A 51 THR HA A 50 LYS HDx 1.0 . 5.50 723 639 A 50 LYS HDy A 51 THR HA 1.0 . 5.50 724 640 A 52 PHE HD% A 51 THR HA 1.0 . 5.12 725 641 A 51 THR HB A 49 THR HB 1.0 . 4.31 726 642 A 51 THR HB A 46 ASP HBy 1.0 . 4.52 727 643 A 51 THR HB A 46 ASP HBx 1.0 . 4.52 728 644 A 29 VAL HA A 29 VAL HGy% 1.0 . 3.15 729 645 A 51 THR HG2% A 4 LYS HBx 1.0 . 3.36 730 646 A 52 PHE HD% A 52 PHE HA 1.0 . 4.28 731 647 A 53 THR HA A 6 ILE HB 1.0 . 3.57 732 648 A 56 GLU HA A 41 GLY HAx 1.0 . 3.65 733 649 A 56 GLU HA A 56 GLU HGx 1.0 . 3.57 734 649 A 56 GLU HGy A 56 GLU HA 1.0 . 3.57 735 650 A 9 GLY HAy A 56 GLU HBy 1.0 . 4.20 736 651 A 29 VAL HB A 30 LEU HG 1.0 . 4.53 737 652 A 9 GLY HAy A 56 GLU HBx 1.0 . 4.20 738 653 A 10 LYS HGy A 56 GLU HGx 1.0 . 5.50 739 653 A 56 GLU HGy A 10 LYS HGx 1.0 . 5.50 740 653 A 56 GLU HGy A 10 LYS HGy 1.0 . 5.50 741 653 A 10 LYS HGx A 56 GLU HGx 1.0 . 5.50 742 654 A 1 MET H1 A 1 MET HGy 1.0 . 4.07 743 654 A 1 MET H1 A 1 MET HGx 1.0 . 4.07 744 655 A 2 THR H A 1 MET HBy 1.0 . 3.43 745 655 A 2 THR H A 1 MET HBx 1.0 . 3.43 746 656 A 3 PHE H A 1 MET HBy 1.0 . 5.34 747 656 A 3 PHE H A 1 MET HBx 1.0 . 5.34 748 657 A 20 ALA H A 1 MET HBy 1.0 . 4.44 749 657 A 20 ALA H A 1 MET HBx 1.0 . 4.44 750 658 A 3 PHE HA A 50 LYS HBx 1.0 . 4.38 751 658 A 3 PHE HA A 50 LYS HBy 1.0 . 4.38 752 659 A 3 PHE HD% A 50 LYS HBx 1.0 . 4.38 753 659 A 3 PHE HD% A 50 LYS HBy 1.0 . 4.38 754 660 A 6 ILE HD1% A 4 LYS HEy 1.0 . 4.68 755 660 A 6 ILE HD1% A 4 LYS HEx 1.0 . 4.68 756 661 A 5 LEU HA A 5 LEU HDx% 1.0 . 3.30 757 661 A 5 LEU HA A 5 LEU HDy% 1.0 . 3.30 758 662 A 6 ILE H A 5 LEU HDx% 1.0 . 3.41 759 662 A 6 ILE H A 5 LEU HDy% 1.0 . 3.41 760 663 A 7 ILE HG1y A 5 LEU HDx% 1.0 . 3.16 761 663 A 7 ILE HG1y A 5 LEU HDy% 1.0 . 3.16 762 664 A 16 THR HG2% A 5 LEU HDx% 1.0 . 3.26 763 664 A 16 THR HG2% A 5 LEU HDy% 1.0 . 3.26 764 665 A 30 LEU HA A 5 LEU HDx% 1.0 . 4.37 765 665 A 30 LEU HA A 5 LEU HDy% 1.0 . 4.37 766 666 A 31 LYS HA A 5 LEU HDx% 1.0 . 3.95 767 666 A 31 LYS HA A 5 LEU HDy% 1.0 . 3.95 768 667 A 33 TYR HD% A 5 LEU HDx% 1.0 . 3.98 769 667 A 33 TYR HD% A 5 LEU HDy% 1.0 . 3.98 770 668 A 34 ALA H A 5 LEU HDx% 1.0 . 3.94 771 668 A 34 ALA H A 5 LEU HDy% 1.0 . 3.94 772 669 A 35 ASN H A 5 LEU HDx% 1.0 . 5.34 773 669 A 35 ASN H A 5 LEU HDy% 1.0 . 5.34 774 670 A 43 TRP HZ3 A 5 LEU HDx% 1.0 . 3.89 775 670 A 43 TRP HZ3 A 5 LEU HDy% 1.0 . 3.89 776 671 A 5 LEU HDx% A 52 PHE HBx 1.0 . 3.43 777 671 A 5 LEU HDy% A 52 PHE HBx 1.0 . 3.43 778 671 A 52 PHE HBy A 5 LEU HDx% 1.0 . 3.43 779 671 A 52 PHE HBy A 5 LEU HDy% 1.0 . 3.43 780 672 A 52 PHE HD% A 5 LEU HDx% 1.0 . 4.33 781 672 A 52 PHE HD% A 5 LEU HDy% 1.0 . 4.33 782 673 A 53 THR H A 5 LEU HDx% 1.0 . 4.55 783 673 A 53 THR H A 5 LEU HDy% 1.0 . 4.55 784 674 A 53 THR HA A 5 LEU HDx% 1.0 . 3.96 785 674 A 53 THR HA A 5 LEU HDy% 1.0 . 3.96 786 675 A 54 VAL H A 5 LEU HDx% 1.0 . 4.00 787 675 A 54 VAL H A 5 LEU HDy% 1.0 . 4.00 788 676 A 6 ILE HA A 15 GLU HBx 1.0 . 4.85 789 676 A 6 ILE HA A 15 GLU HBy 1.0 . 4.85 790 677 A 6 ILE HD1% A 15 GLU HBx 1.0 . 4.73 791 677 A 6 ILE HD1% A 15 GLU HBy 1.0 . 4.73 792 678 A 7 ILE HA A 54 VAL HGx% 1.0 . 3.54 793 678 A 7 ILE HA A 54 VAL HGy% 1.0 . 3.54 794 679 A 7 ILE HB A 14 GLY HAy 1.0 . 3.99 795 679 A 7 ILE HB A 14 GLY HAx 1.0 . 3.99 796 680 A 7 ILE HG1y A 54 VAL HGx% 1.0 . 4.13 797 680 A 7 ILE HG1y A 54 VAL HGy% 1.0 . 4.13 798 681 A 7 ILE HG1x A 14 GLY HAy 1.0 . 4.92 799 681 A 7 ILE HG1x A 14 GLY HAx 1.0 . 4.92 800 682 A 7 ILE HD1% A 14 GLY HAy 1.0 . 4.27 801 682 A 7 ILE HD1% A 14 GLY HAx 1.0 . 4.27 802 683 A 8 ASN H A 54 VAL HGx% 1.0 . 4.03 803 683 A 8 ASN H A 54 VAL HGy% 1.0 . 4.03 804 684 A 9 GLY HAy A 56 GLU HBx 1.0 . 3.45 805 684 A 9 GLY HAy A 56 GLU HBy 1.0 . 3.45 806 685 A 9 GLY HAx A 56 GLU HBx 1.0 . 4.20 807 685 A 9 GLY HAx A 56 GLU HBy 1.0 . 4.20 808 686 A 10 LYS H A 56 GLU HBx 1.0 . 3.70 809 686 A 10 LYS H A 56 GLU HBy 1.0 . 3.70 810 687 A 10 LYS HGx A 56 GLU HBx 1.0 . 4.54 811 687 A 10 LYS HGy A 56 GLU HBx 1.0 . 4.54 812 687 A 56 GLU HBy A 10 LYS HGx 1.0 . 4.54 813 687 A 10 LYS HGy A 56 GLU HBy 1.0 . 4.54 814 688 A 11 THR H A 12 LEU HBy 1.0 . 5.21 815 688 A 11 THR H A 12 LEU HBx 1.0 . 5.21 816 689 A 12 LEU HA A 12 LEU HDx% 1.0 . 3.44 817 689 A 12 LEU HA A 12 LEU HDy% 1.0 . 3.44 818 690 A 13 LYS H A 12 LEU HBy 1.0 . 3.99 819 690 A 13 LYS H A 12 LEU HBx 1.0 . 3.99 820 691 A 13 LYS H A 12 LEU HDx% 1.0 . 3.55 821 691 A 13 LYS H A 12 LEU HDy% 1.0 . 3.55 822 692 A 13 LYS HA A 14 GLY HAy 1.0 . 4.62 823 692 A 13 LYS HA A 14 GLY HAx 1.0 . 4.62 824 693 A 15 GLU H A 15 GLU HBx 1.0 . 3.48 825 693 A 15 GLU H A 15 GLU HBy 1.0 . 3.48 826 694 A 16 THR H A 15 GLU HBx 1.0 . 3.20 827 694 A 16 THR H A 15 GLU HBy 1.0 . 3.20 828 695 A 24 ALA H A 27 GLU HBx 1.0 . 5.03 829 695 A 24 ALA H A 27 GLU HBy 1.0 . 5.03 830 696 A 26 ALA HB% A 27 GLU HBx 1.0 . 4.48 831 696 A 26 ALA HB% A 27 GLU HBy 1.0 . 4.48 832 697 A 27 GLU H A 27 GLU HBx 1.0 . 2.89 833 697 A 27 GLU H A 27 GLU HBy 1.0 . 2.89 834 698 A 52 PHE HZ A 27 GLU HBx 1.0 . 4.93 835 698 A 27 GLU HBy A 52 PHE HZ 1.0 . 4.93 836 699 A 27 GLU HGy A 31 LYS HGx 1.0 . 4.48 837 699 A 27 GLU HGx A 31 LYS HGx 1.0 . 4.48 838 699 A 31 LYS HGy A 27 GLU HGx 1.0 . 4.48 839 699 A 27 GLU HGy A 31 LYS HGy 1.0 . 4.48 840 700 A 27 GLU HGy A 31 LYS HDy 1.0 . 4.22 841 700 A 27 GLU HGx A 31 LYS HDy 1.0 . 4.22 842 700 A 31 LYS HDx A 27 GLU HGx 1.0 . 4.22 843 700 A 27 GLU HGy A 31 LYS HDx 1.0 . 4.22 844 701 A 28 LYS H A 31 LYS HGx 1.0 . 5.34 845 701 A 28 LYS H A 31 LYS HGy 1.0 . 5.34 846 702 A 28 LYS HA A 31 LYS HBy 1.0 . 4.59 847 702 A 28 LYS HA A 31 LYS HBx 1.0 . 4.59 848 703 A 28 LYS HGx A 31 LYS HGx 1.0 . 5.09 849 703 A 31 LYS HGy A 28 LYS HGx 1.0 . 5.09 850 703 A 28 LYS HGy A 31 LYS HGy 1.0 . 5.09 851 703 A 28 LYS HGy A 31 LYS HGx 1.0 . 5.09 852 704 A 31 LYS H A 31 LYS HGx 1.0 . 3.12 853 704 A 31 LYS H A 31 LYS HGy 1.0 . 3.12 854 705 A 31 LYS H A 31 LYS HEy 1.0 . 4.73 855 705 A 31 LYS H A 31 LYS HEx 1.0 . 4.73 856 706 A 31 LYS HA A 31 LYS HGx 1.0 . 3.65 857 706 A 31 LYS HA A 31 LYS HGy 1.0 . 3.65 858 707 A 31 LYS HEx A 31 LYS HGx 1.0 . 3.08 859 707 A 31 LYS HEy A 31 LYS HGx 1.0 . 3.08 860 707 A 31 LYS HGy A 31 LYS HEy 1.0 . 3.08 861 707 A 31 LYS HGy A 31 LYS HEx 1.0 . 3.08 862 708 A 32 GLN H A 31 LYS HGx 1.0 . 4.25 863 708 A 32 GLN H A 31 LYS HGy 1.0 . 4.25 864 709 A 33 TYR H A 31 LYS HGx 1.0 . 4.92 865 709 A 33 TYR H A 31 LYS HGy 1.0 . 4.92 866 710 A 32 GLN HA A 32 GLN HE2y 1.0 . 4.31 867 710 A 32 GLN HA A 32 GLN HE2x 1.0 . 4.31 868 711 A 35 ASN HD2y A 32 GLN HA 1.0 . 4.63 869 711 A 35 ASN HD2x A 32 GLN HA 1.0 . 4.63 870 712 A 32 GLN HE2x A 32 GLN HGx 1.0 . 3.11 871 712 A 32 GLN HGy A 32 GLN HE2y 1.0 . 3.11 872 712 A 32 GLN HE2x A 32 GLN HGy 1.0 . 3.11 873 712 A 32 GLN HE2y A 32 GLN HGx 1.0 . 3.11 874 713 A 33 TYR H A 36 ASP HBx 1.0 . 5.34 875 713 A 33 TYR H A 36 ASP HBy 1.0 . 5.34 876 714 A 34 ALA HB% A 54 VAL HGx% 1.0 . 4.11 877 714 A 34 ALA HB% A 54 VAL HGy% 1.0 . 4.11 878 715 A 35 ASN HD2y A 35 ASN H 1.0 . 4.50 879 715 A 35 ASN HD2x A 35 ASN H 1.0 . 4.50 880 716 A 35 ASN HA A 35 ASN HD2y 1.0 . 4.16 881 716 A 35 ASN HA A 35 ASN HD2x 1.0 . 4.16 882 717 A 36 ASP H A 36 ASP HBx 1.0 . 2.90 883 717 A 36 ASP H A 36 ASP HBy 1.0 . 2.90 884 718 A 37 ASN H A 36 ASP HBx 1.0 . 4.07 885 718 A 37 ASN H A 36 ASP HBy 1.0 . 4.07 886 719 A 37 ASN HD2y A 36 ASP HBx 1.0 . 4.21 887 719 A 37 ASN HD2y A 36 ASP HBy 1.0 . 4.21 888 720 A 37 ASN HD2x A 36 ASP HBx 1.0 . 4.76 889 720 A 37 ASN HD2x A 36 ASP HBy 1.0 . 4.76 890 721 A 39 ILE HG2% A 54 VAL HGx% 1.0 . 3.61 891 721 A 39 ILE HG2% A 54 VAL HGy% 1.0 . 3.61 892 722 A 39 ILE HG2% A 56 GLU HBx 1.0 . 4.72 893 722 A 39 ILE HG2% A 56 GLU HBy 1.0 . 4.72 894 723 A 40 ASP H A 40 ASP HBx 1.0 . 3.41 895 723 A 40 ASP H A 40 ASP HBy 1.0 . 3.41 896 724 A 40 ASP H A 54 VAL HGx% 1.0 . 4.93 897 724 A 40 ASP H A 54 VAL HGy% 1.0 . 4.93 898 725 A 41 GLY H A 40 ASP HBx 1.0 . 3.73 899 725 A 41 GLY H A 40 ASP HBy 1.0 . 3.73 900 726 A 41 GLY H A 54 VAL HGx% 1.0 . 3.43 901 726 A 41 GLY H A 54 VAL HGy% 1.0 . 3.43 902 727 A 41 GLY HAy A 54 VAL HGx% 1.0 . 4.59 903 727 A 41 GLY HAy A 54 VAL HGy% 1.0 . 4.59 904 728 A 41 GLY HAx A 54 VAL HGx% 1.0 . 4.18 905 728 A 41 GLY HAx A 54 VAL HGy% 1.0 . 4.18 906 729 A 42 GLU H A 54 VAL HGx% 1.0 . 3.92 907 729 A 42 GLU H A 54 VAL HGy% 1.0 . 3.92 908 730 A 43 TRP H A 42 GLU HGy 1.0 . 4.22 909 730 A 43 TRP H A 42 GLU HGx 1.0 . 4.22 910 731 A 43 TRP HA A 54 VAL HGx% 1.0 . 4.51 911 731 A 43 TRP HA A 54 VAL HGy% 1.0 . 4.51 912 732 A 43 TRP HD1 A 54 VAL HGx% 1.0 . 4.83 913 732 A 43 TRP HD1 A 54 VAL HGy% 1.0 . 4.83 914 733 A 43 TRP HE1 A 54 VAL HGx% 1.0 . 3.24 915 733 A 43 TRP HE1 A 54 VAL HGy% 1.0 . 3.24 916 734 A 43 TRP HZ2 A 54 VAL HGx% 1.0 . 4.80 917 734 A 43 TRP HZ2 A 54 VAL HGy% 1.0 . 4.80 918 735 A 45 TYR H A 45 TYR HBx 1.0 . 3.24 919 735 A 45 TYR H A 45 TYR HBy 1.0 . 3.24 920 736 A 46 ASP H A 45 TYR HBx 1.0 . 4.20 921 736 A 46 ASP H A 45 TYR HBy 1.0 . 4.20 922 737 A 52 PHE HD% A 45 TYR HBx 1.0 . 5.34 923 737 A 52 PHE HD% A 45 TYR HBy 1.0 . 5.34 924 738 A 52 PHE HE% A 45 TYR HBx 1.0 . 4.73 925 738 A 52 PHE HE% A 45 TYR HBy 1.0 . 4.73 926 739 A 46 ASP H A 46 ASP HBx 1.0 . 3.16 927 739 A 46 ASP H A 46 ASP HBy 1.0 . 3.16 928 740 A 47 ASP H A 46 ASP HBx 1.0 . 4.08 929 740 A 47 ASP H A 46 ASP HBy 1.0 . 4.08 930 741 A 48 ALA H A 46 ASP HBx 1.0 . 4.87 931 741 A 48 ALA H A 46 ASP HBy 1.0 . 4.87 932 742 A 49 THR H A 46 ASP HBx 1.0 . 4.19 933 742 A 49 THR H A 46 ASP HBy 1.0 . 4.19 934 743 A 50 LYS H A 46 ASP HBx 1.0 . 5.29 935 743 A 50 LYS H A 46 ASP HBy 1.0 . 5.29 936 744 A 51 THR H A 46 ASP HBx 1.0 . 3.61 937 744 A 51 THR H A 46 ASP HBy 1.0 . 3.61 938 745 A 51 THR HB A 46 ASP HBx 1.0 . 3.75 939 745 A 51 THR HB A 46 ASP HBy 1.0 . 3.75 940 746 A 48 ALA H A 47 ASP HBx 1.0 . 3.23 941 746 A 48 ALA H A 47 ASP HBy 1.0 . 3.23 942 747 A 50 LYS H A 50 LYS HGy 1.0 . 3.52 943 747 A 50 LYS H A 50 LYS HGx 1.0 . 3.52 944 748 A 50 LYS H A 50 LYS HEy 1.0 . 5.34 945 748 A 50 LYS H A 50 LYS HEx 1.0 . 5.34 946 749 A 50 LYS HA A 50 LYS HGy 1.0 . 3.59 947 749 A 50 LYS HA A 50 LYS HGx 1.0 . 3.59 948 750 A 54 VAL H A 54 VAL HGx% 1.0 . 3.18 949 750 A 54 VAL H A 54 VAL HGy% 1.0 . 3.18 950 751 A 55 THR H A 54 VAL HGx% 1.0 . 3.39 951 751 A 55 THR H A 54 VAL HGy% 1.0 . 3.39 952 752 A 56 GLU H A 56 GLU HBx 1.0 . 3.06 953 752 A 56 GLU H A 56 GLU HBy 1.0 . 3.06 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 MET C A 2 THR N A 2 THR CA A 2 THR C 1.0 -112.0 -65.1 PHI 2 2 A 2 THR N A 2 THR CA A 2 THR C A 3 PHE N 1.0 100.2 163.6 PSI 3 3 A 2 THR C A 3 PHE N A 3 PHE CA A 3 PHE C 1.0 -145.0 -104.1 PHI 4 4 A 3 PHE N A 3 PHE CA A 3 PHE C A 4 LYS N 1.0 128.5 168.5 PSI 5 5 A 3 PHE C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -151.8 -96.1 PHI 6 6 A 4 LYS N A 4 LYS CA A 4 LYS C A 5 LEU N 1.0 108.4 149.6 PSI 7 7 A 4 LYS C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -151.8 -88.0 PHI 8 8 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 ILE N 1.0 106.1 146.1 PSI 9 9 A 5 LEU C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -127.0 -87.0 PHI 10 10 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 ILE N 1.0 99.8 139.8 PSI 11 11 A 6 ILE C A 7 ILE N A 7 ILE CA A 7 ILE C 1.0 -133.9 -72.6 PHI 12 12 A 7 ILE N A 7 ILE CA A 7 ILE C A 8 ASN N 1.0 90.6 140.1 PSI 13 13 A 7 ILE C A 8 ASN N A 8 ASN CA A 8 ASN C 1.0 -139.6 -59.8 PHI 14 14 A 8 ASN N A 8 ASN CA A 8 ASN C A 9 GLY N 1.0 74.2 151.5 PSI 15 15 A 9 GLY C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -97.1 -42.8 PHI 16 16 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 THR N 1.0 -60.1 14.0 PSI 17 17 A 10 LYS C A 11 THR N A 11 THR CA A 11 THR C 1.0 -138.7 -66.1 PHI 18 18 A 11 THR N A 11 THR CA A 11 THR C A 12 LEU N 1.0 -49.7 30.4 PSI 19 19 A 11 THR C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -154.5 -26.3 PHI 20 20 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 LYS N 1.0 93.2 185.9 PSI 21 21 A 12 LEU C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -165.0 -67.6 PHI 22 22 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 GLY N 1.0 101.8 176.7 PSI 23 23 A 14 GLY C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -181.1 -89.4 PHI 24 24 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 THR N 1.0 123.9 175.3 PSI 25 25 A 16 THR C A 17 THR N A 17 THR CA A 17 THR C 1.0 -163.7 -96.6 PHI 26 26 A 17 THR N A 17 THR CA A 17 THR C A 18 THR N 1.0 133.8 173.8 PSI 27 27 A 17 THR C A 18 THR N A 18 THR CA A 18 THR C 1.0 -178.0 -86.2 PHI 28 28 A 18 THR N A 18 THR CA A 18 THR C A 19 GLU N 1.0 103.4 162.4 PSI 29 29 A 18 THR C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -146.3 -70.1 PHI 30 30 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 ALA N 1.0 96.9 155.9 PSI 31 31 A 20 ALA C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -124.3 -43.4 PHI 32 32 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 ASP N 1.0 -52.2 14.5 PSI 33 33 A 22 ASP C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -83.8 -40.7 PHI 34 34 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 ALA N 1.0 -58.9 -13.0 PSI 35 35 A 23 ALA C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -86.0 -46.0 PHI 36 36 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 THR N 1.0 -56.4 -16.4 PSI 37 37 A 24 ALA C A 25 THR N A 25 THR CA A 25 THR C 1.0 -87.2 -47.2 PHI 38 38 A 25 THR N A 25 THR CA A 25 THR C A 26 ALA N 1.0 -63.1 -23.1 PSI 39 39 A 25 THR C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -82.8 -42.8 PHI 40 40 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 GLU N 1.0 -62.2 -22.2 PSI 41 41 A 26 ALA C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -82.9 -42.9 PHI 42 42 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 LYS N 1.0 -64.5 -24.5 PSI 43 43 A 27 GLU C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -80.0 -40.0 PHI 44 44 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 VAL N 1.0 -61.3 -21.3 PSI 45 45 A 28 LYS C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -88.6 -48.6 PHI 46 46 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 LEU N 1.0 -59.9 -19.9 PSI 47 47 A 29 VAL C A 30 LEU N A 30 LEU CA A 30 LEU C 1.0 -87.2 -47.2 PHI 48 48 A 30 LEU N A 30 LEU CA A 30 LEU C A 31 LYS N 1.0 -56.1 -16.1 PSI 49 49 A 30 LEU C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -87.7 -47.7 PHI 50 50 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 GLN N 1.0 -57.2 -17.2 PSI 51 51 A 31 LYS C A 32 GLN N A 32 GLN CA A 32 GLN C 1.0 -87.7 -47.7 PHI 52 52 A 32 GLN N A 32 GLN CA A 32 GLN C A 33 TYR N 1.0 -61.8 -21.8 PSI 53 53 A 32 GLN C A 33 TYR N A 33 TYR CA A 33 TYR C 1.0 -85.5 -45.5 PHI 54 54 A 33 TYR N A 33 TYR CA A 33 TYR C A 34 ALA N 1.0 -59.1 -19.1 PSI 55 55 A 33 TYR C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -84.0 -44.0 PHI 56 56 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 ASN N 1.0 -62.2 -22.2 PSI 57 57 A 34 ALA C A 35 ASN N A 35 ASN CA A 35 ASN C 1.0 -83.9 -43.9 PHI 58 58 A 35 ASN N A 35 ASN CA A 35 ASN C A 36 ASP N 1.0 -60.4 -20.4 PSI 59 59 A 35 ASN C A 36 ASP N A 36 ASP CA A 36 ASP C 1.0 -84.4 -44.4 PHI 60 60 A 36 ASP N A 36 ASP CA A 36 ASP C A 37 ASN N 1.0 -45.4 0.1 PSI 61 61 A 36 ASP C A 37 ASN N A 37 ASN CA A 37 ASN C 1.0 -113.6 -72.1 PHI 62 62 A 37 ASN N A 37 ASN CA A 37 ASN C A 38 GLY N 1.0 -18.1 21.9 PSI 63 63 A 37 ASN C A 38 GLY N A 38 GLY CA A 38 GLY C 1.0 59.2 99.2 PHI 64 64 A 38 GLY N A 38 GLY CA A 38 GLY C A 39 ILE N 1.0 1.5 41.5 PSI 65 65 A 38 GLY C A 39 ILE N A 39 ILE CA A 39 ILE C 1.0 -118.3 -64.9 PHI 66 66 A 39 ILE N A 39 ILE CA A 39 ILE C A 40 ASP N 1.0 106.7 163.5 PSI 67 67 A 39 ILE C A 40 ASP N A 40 ASP CA A 40 ASP C 1.0 -157.6 -75.3 PHI 68 68 A 40 ASP N A 40 ASP CA A 40 ASP C A 41 GLY N 1.0 125.0 194.7 PSI 69 69 A 41 GLY C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -165.5 -61.5 PHI 70 70 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 TRP N 1.0 90.9 167.3 PSI 71 71 A 42 GLU C A 43 TRP N A 43 TRP CA A 43 TRP C 1.0 -119.5 -58.0 PHI 72 72 A 43 TRP N A 43 TRP CA A 43 TRP C A 44 THR N 1.0 105.9 162.1 PSI 73 73 A 43 TRP C A 44 THR N A 44 THR CA A 44 THR C 1.0 -161.2 -95.0 PHI 74 74 A 44 THR N A 44 THR CA A 44 THR C A 45 TYR N 1.0 129.0 176.2 PSI 75 75 A 44 THR C A 45 TYR N A 45 TYR CA A 45 TYR C 1.0 -162.6 -103.7 PHI 76 76 A 45 TYR N A 45 TYR CA A 45 TYR C A 46 ASP N 1.0 112.0 162.7 PSI 77 77 A 45 TYR C A 46 ASP N A 46 ASP CA A 46 ASP C 1.0 -156.3 -72.2 PHI 78 78 A 46 ASP N A 46 ASP CA A 46 ASP C A 47 ASP N 1.0 55.7 183.9 PSI 79 79 A 46 ASP C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -90.1 -46.0 PHI 80 80 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 ALA N 1.0 -55.4 -2.4 PSI 81 81 A 50 LYS C A 51 THR N A 51 THR CA A 51 THR C 1.0 -138.2 -53.4 PHI 82 82 A 51 THR N A 51 THR CA A 51 THR C A 52 PHE N 1.0 111.4 151.4 PSI 83 83 A 51 THR C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -166.3 -72.3 PHI 84 84 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 THR N 1.0 113.4 153.4 PSI 85 85 A 52 PHE C A 53 THR N A 53 THR CA A 53 THR C 1.0 -157.1 -88.9 PHI 86 86 A 53 THR N A 53 THR CA A 53 THR C A 54 VAL N 1.0 109.0 155.1 PSI 87 87 A 53 THR C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -168.5 -88.2 PHI 88 88 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 THR N 1.0 92.6 160.9 PSI 89 89 A 54 VAL C A 55 THR N A 55 THR CA A 55 THR C 1.0 -142.8 -49.4 PHI 90 90 A 55 THR N A 55 THR CA A 55 THR C A 56 GLU N 1.0 99.8 139.8 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 8.685085414 aliased 2 ppm 13C 66.244482528 aliased 3 ppm 1H 6.604482213 aliased stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 14.031099142 aliased 2 ppm 15N 29.989505443 aliased 3 ppm 1H 14.011870083 aliased stop_ save_