data_nef_c30236_5ujr 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 30235 PDB 5UJR 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 TRP start . . 2 A 2 GLY middle . false 3 A 3 TRP middle . . 4 A 4 LYS middle . . 5 A 5 GLU middle . . 6 A 6 VAL middle . . 7 A 7 VAL middle . . 8 A 8 GLN middle . . 9 A 9 ASN middle . . 10 A 10 GLY middle . false 11 A 11 GLN middle . . 12 A 12 THR middle . . 13 A 13 ILE middle . . 14 A 14 PHE middle . . 15 A 15 SER middle . . 16 A 16 ALA middle . . 17 A 17 GLY middle . false 18 A 18 GLN middle . . 19 A 19 LYS middle . . 20 A 20 LEU middle . . 21 A 21 GLY middle . false 22 A 22 ASN middle . . 23 A 23 MET middle . . 24 A 24 VAL middle . . 25 A 25 GLY middle . false 26 A 26 LYS middle . . 27 A 27 ILE middle . . 28 A 28 VAL middle . . 29 A 29 PRO middle . false 30 A 30 LEU middle . . 31 A 31 PRO middle . false 32 A 32 PHE middle . . 33 A 33 GLY end . false 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 TRP HA H 1 4.2800 0.0000 A 1 TRP HB2 H 1 3.3920 0.0000 A 1 TRP HB3 H 1 3.3910 0.0000 A 1 TRP HD1 H 1 7.2680 0.0000 A 1 TRP HE1 H 1 9.7280 0.0000 A 1 TRP HE3 H 1 7.5810 0.0000 A 1 TRP HH2 H 1 7.2050 0.0000 A 1 TRP HZ2 H 1 7.0920 0.0000 A 1 TRP HZ3 H 1 7.4540 0.0000 A 1 TRP CA C 13 56.6430 0.0000 A 1 TRP CB C 13 29.4970 0.0000 A 1 TRP CE3 C 13 120.0580 0.0000 A 1 TRP NE1 N 15 127.0430 0.0000 A 2 GLY H H 1 8.5110 0.0000 A 2 GLY HA2 H 1 4.0770 0.0000 A 2 GLY HA3 H 1 4.0770 0.0000 A 2 GLY CA C 13 45.0280 0.0000 A 2 GLY N N 15 111.2290 0.0000 A 3 TRP H H 1 8.0660 0.0000 A 3 TRP HA H 1 4.4410 0.0000 A 3 TRP HB2 H 1 3.3620 0.0000 A 3 TRP HB3 H 1 3.2590 0.0000 A 3 TRP HD1 H 1 7.2630 0.0000 A 3 TRP HE1 H 1 9.8570 0.0000 A 3 TRP HE3 H 1 7.5220 0.0000 A 3 TRP HH2 H 1 7.2080 0.0000 A 3 TRP HZ2 H 1 7.1050 0.0000 A 3 TRP HZ3 H 1 7.4520 0.0000 A 3 TRP CA C 13 59.9170 0.0000 A 3 TRP CB C 13 28.7780 0.0000 A 3 TRP CE3 C 13 120.0660 0.0000 A 3 TRP N N 15 121.0740 0.0000 A 3 TRP NE1 N 15 128.9490 0.0000 A 4 LYS H H 1 7.9240 0.0000 A 4 LYS HA H 1 3.7290 0.0000 A 4 LYS HB2 H 1 1.5480 0.0000 A 4 LYS HB3 H 1 1.5910 0.0000 A 4 LYS HD2 H 1 1.5880 0.0000 A 4 LYS HD3 H 1 1.5880 0.0000 A 4 LYS HE2 H 1 2.9260 0.0000 A 4 LYS HE3 H 1 2.9260 0.0000 A 4 LYS HG2 H 1 1.0560 0.0000 A 4 LYS HG3 H 1 1.0900 0.0000 A 4 LYS CA C 13 59.3500 0.0000 A 4 LYS CB C 13 28.9890 0.0000 A 4 LYS CD C 13 31.6930 0.0000 A 4 LYS CE C 13 41.7270 0.0000 A 4 LYS CG C 13 24.2510 0.0000 A 4 LYS N N 15 118.7480 0.0000 A 5 GLU H H 1 7.8270 0.0000 A 5 GLU HA H 1 4.0220 0.0000 A 5 GLU HB2 H 1 2.0820 0.0000 A 5 GLU HB3 H 1 1.8400 0.0000 A 5 GLU HG2 H 1 2.4420 0.0000 A 5 GLU HG3 H 1 2.2440 0.0000 A 5 GLU CA C 13 59.3430 0.0000 A 5 GLU CB C 13 28.2750 0.0000 A 5 GLU CG C 13 36.1420 0.0000 A 5 GLU N N 15 117.4770 0.0000 A 6 VAL H H 1 7.6040 0.0000 A 6 VAL HA H 1 3.6900 0.0000 A 6 VAL HB H 1 2.2470 0.0000 A 6 VAL HG1% H 1 0.9500 0.0000 A 6 VAL HG2% H 1 1.0490 0.0000 A 6 VAL CA C 13 65.7020 0.0000 A 6 VAL CB C 13 31.5240 0.0000 A 6 VAL CG1 C 13 21.0750 0.0000 A 6 VAL CG2 C 13 21.4460 0.0000 A 6 VAL N N 15 120.3620 0.0000 A 7 VAL H H 1 8.0590 0.0000 A 7 VAL HA H 1 3.7580 0.0000 A 7 VAL HB H 1 2.0610 0.0000 A 7 VAL HG1% H 1 0.9270 0.0000 A 7 VAL HG2% H 1 0.9270 0.0000 A 7 VAL CA C 13 65.4120 0.0000 A 7 VAL CB C 13 31.5100 0.0000 A 7 VAL CG1 C 13 20.2730 0.0000 A 7 VAL CG2 C 13 20.3080 0.0000 A 7 VAL N N 15 119.5350 0.0000 A 8 GLN H H 1 8.2030 0.0000 A 8 GLN HA H 1 4.2900 0.0000 A 8 GLN HB2 H 1 2.1220 0.0000 A 8 GLN HB3 H 1 2.1650 0.0000 A 8 GLN HE21 H 1 7.2270 0.0000 A 8 GLN HE22 H 1 6.6320 0.0000 A 8 GLN HG2 H 1 2.3630 0.0000 A 8 GLN HG3 H 1 2.5020 0.0000 A 8 GLN CA C 13 56.4050 0.0000 A 8 GLN CB C 13 30.6990 0.0000 A 8 GLN CG C 13 33.7450 0.0000 A 8 GLN N N 15 119.2600 0.0000 A 8 GLN NE2 N 15 109.5090 0.0000 A 9 ASN H H 1 8.2470 0.0000 A 9 ASN HA H 1 4.6680 0.0000 A 9 ASN HB2 H 1 2.9230 0.0000 A 9 ASN HB3 H 1 2.8380 0.0000 A 9 ASN HD21 H 1 7.3780 0.0000 A 9 ASN HD22 H 1 6.6640 0.0000 A 9 ASN CA C 13 54.2650 0.0000 A 9 ASN CB C 13 38.5640 0.0000 A 9 ASN N N 15 118.2110 0.0000 A 9 ASN ND2 N 15 110.5690 0.0000 A 10 GLY H H 1 8.3740 0.0000 A 10 GLY HA2 H 1 3.9480 0.0000 A 10 GLY HA3 H 1 3.8960 0.0000 A 10 GLY CA C 13 46.2960 0.0000 A 10 GLY N N 15 108.3050 0.0000 A 11 GLN H H 1 8.3700 0.0000 A 11 GLN HA H 1 4.2720 0.0000 A 11 GLN HB2 H 1 2.2360 0.0000 A 11 GLN HB3 H 1 2.2360 0.0000 A 11 GLN HE21 H 1 7.1610 0.0000 A 11 GLN HE22 H 1 6.5260 0.0000 A 11 GLN HG2 H 1 2.5550 0.0000 A 11 GLN HG3 H 1 2.4400 0.0000 A 11 GLN CA C 13 57.9980 0.0000 A 11 GLN CB C 13 28.3220 0.0000 A 11 GLN CG C 13 33.6350 0.0000 A 11 GLN N N 15 119.2430 0.0000 A 11 GLN NE2 N 15 108.9830 0.0000 A 12 THR H H 1 8.0720 0.0000 A 12 THR HA H 1 4.1430 0.0000 A 12 THR HB H 1 4.4410 0.0000 A 12 THR HG2% H 1 1.3010 0.0000 A 12 THR CA C 13 65.1300 0.0000 A 12 THR CB C 13 69.0540 0.0000 A 12 THR CG2 C 13 20.8370 0.0000 A 12 THR N N 15 116.1880 0.0000 A 13 ILE H H 1 8.0080 0.0000 A 13 ILE HA H 1 3.8570 0.0000 A 13 ILE HB H 1 1.8700 0.0000 A 13 ILE HD1% H 1 0.8440 0.0000 A 13 ILE HG12 H 1 1.5620 0.0000 A 13 ILE HG13 H 1 1.1470 0.0000 A 13 ILE HG2% H 1 0.8350 0.0000 A 13 ILE CA C 13 64.0830 0.0000 A 13 ILE CB C 13 37.8050 0.0000 A 13 ILE CD1 C 13 12.0680 0.0000 A 13 ILE CG1 C 13 27.8310 0.0000 A 13 ILE CG2 C 13 16.2900 0.0000 A 13 ILE N N 15 121.5660 0.0000 A 14 PHE H H 1 8.2220 0.0000 A 14 PHE HA H 1 4.4370 0.0000 A 14 PHE HB2 H 1 3.2430 0.0000 A 14 PHE HB3 H 1 3.1810 0.0000 A 14 PHE HD1 H 1 7.2780 0.0000 A 14 PHE HD2 H 1 7.2800 0.0000 A 14 PHE HE1 H 1 7.3290 0.0000 A 14 PHE HE2 H 1 7.3300 0.0000 A 14 PHE HZ H 1 7.2250 0.0000 A 14 PHE CA C 13 59.4420 0.0000 A 14 PHE CB C 13 38.7490 0.0000 A 14 PHE CE1 C 13 131.3080 0.0000 A 14 PHE CE2 C 13 131.2650 0.0000 A 14 PHE N N 15 119.8390 0.0000 A 15 SER H H 1 8.1900 0.0000 A 15 SER HA H 1 4.2980 0.0000 A 15 SER HB2 H 1 4.1440 0.0000 A 15 SER HB3 H 1 4.0440 0.0000 A 15 SER CA C 13 60.6980 0.0000 A 15 SER CB C 13 63.0960 0.0000 A 15 SER N N 15 114.6370 0.0000 A 16 ALA H H 1 8.2440 0.0000 A 16 ALA HA H 1 4.2040 0.0000 A 16 ALA HB% H 1 1.5310 0.0000 A 16 ALA CA C 13 54.6140 0.0000 A 16 ALA CB C 13 17.4300 0.0000 A 16 ALA N N 15 125.2300 0.0000 A 17 GLY H H 1 8.3050 0.0000 A 17 GLY HA2 H 1 3.9060 0.0000 A 17 GLY HA3 H 1 3.8680 0.0000 A 17 GLY CA C 13 44.5470 0.0000 A 17 GLY N N 15 104.9980 0.0000 A 18 GLN H H 1 7.9070 0.0000 A 18 GLN HA H 1 4.1440 0.0000 A 18 GLN HB2 H 1 2.1170 0.0000 A 18 GLN HB3 H 1 2.1400 0.0000 A 18 GLN HE21 H 1 7.0840 0.0000 A 18 GLN HE22 H 1 6.5380 0.0000 A 18 GLN HG2 H 1 2.3280 0.0000 A 18 GLN HG3 H 1 2.2620 0.0000 A 18 GLN CA C 13 57.5810 0.0000 A 18 GLN CB C 13 28.4550 0.0000 A 18 GLN CG C 13 33.4830 0.0000 A 18 GLN N N 15 119.6950 0.0000 A 18 GLN NE2 N 15 110.4560 0.0000 A 19 LYS H H 1 7.9200 0.0000 A 19 LYS HA H 1 4.2060 0.0000 A 19 LYS HB2 H 1 1.9640 0.0000 A 19 LYS HB3 H 1 1.9660 0.0000 A 19 LYS HD2 H 1 1.7310 0.0000 A 19 LYS HD3 H 1 1.7310 0.0000 A 19 LYS HE2 H 1 3.0150 0.0000 A 19 LYS HE3 H 1 3.0150 0.0000 A 19 LYS HG2 H 1 1.4960 0.0000 A 19 LYS HG3 H 1 1.6120 0.0000 A 19 LYS CA C 13 58.0600 0.0000 A 19 LYS CB C 13 32.2290 0.0000 A 19 LYS CD C 13 28.6360 0.0000 A 19 LYS CE C 13 41.7270 0.0000 A 19 LYS CG C 13 24.4240 0.0000 A 19 LYS N N 15 119.5700 0.0000 A 20 LEU H H 1 8.1900 0.0000 A 20 LEU HA H 1 4.2890 0.0000 A 20 LEU HB2 H 1 1.6580 0.0000 A 20 LEU HB3 H 1 1.7720 0.0000 A 20 LEU HD1% H 1 0.9320 0.0000 A 20 LEU HD2% H 1 0.9080 0.0000 A 20 LEU HG H 1 1.7440 0.0000 A 20 LEU CA C 13 56.4050 0.0000 A 20 LEU CB C 13 41.9980 0.0000 A 20 LEU CD1 C 13 23.7560 0.0000 A 20 LEU CD2 C 13 22.6040 0.0000 A 20 LEU CG C 13 26.7050 0.0000 A 20 LEU N N 15 119.6510 0.0000 A 21 GLY H H 1 8.1580 0.0000 A 21 GLY HA2 H 1 3.9300 0.0000 A 21 GLY HA3 H 1 3.8950 0.0000 A 21 GLY CA C 13 46.2960 0.0000 A 21 GLY N N 15 106.0070 0.0000 A 22 ASN H H 1 7.9680 0.0000 A 22 ASN HA H 1 4.6980 0.0000 A 22 ASN HB2 H 1 2.8810 0.0000 A 22 ASN HB3 H 1 2.8810 0.0000 A 22 ASN HD21 H 1 7.4730 0.0000 A 22 ASN HD22 H 1 6.7500 0.0000 A 22 ASN CA C 13 56.3860 0.0000 A 22 ASN CB C 13 38.5640 0.0000 A 22 ASN N N 15 117.7370 0.0000 A 22 ASN ND2 N 15 110.8680 0.0000 A 23 MET H H 1 8.0800 0.0000 A 23 MET HA H 1 4.4800 0.0000 A 23 MET HB2 H 1 2.2260 0.0000 A 23 MET HB3 H 1 2.2260 0.0000 A 23 MET HE% H 1 2.1010 0.0000 A 23 MET HG2 H 1 2.7090 0.0000 A 23 MET HG3 H 1 2.5900 0.0000 A 23 MET CA C 13 56.6660 0.0000 A 23 MET CB C 13 32.6840 0.0000 A 23 MET CE C 13 15.9310 0.0000 A 23 MET CG C 13 31.7380 0.0000 A 23 MET N N 15 118.3870 0.0000 A 24 VAL H H 1 7.8940 0.0000 A 24 VAL HA H 1 3.9810 0.0000 A 24 VAL HB H 1 2.1840 0.0000 A 24 VAL HG1% H 1 0.9930 0.0000 A 24 VAL HG2% H 1 1.0530 0.0000 A 24 VAL CA C 13 63.9860 0.0000 A 24 VAL CB C 13 31.6960 0.0000 A 24 VAL CG1 C 13 20.3950 0.0000 A 24 VAL CG2 C 13 20.4570 0.0000 A 24 VAL N N 15 118.6100 0.0000 A 25 GLY H H 1 8.2700 0.0000 A 25 GLY HA2 H 1 4.0510 0.0000 A 25 GLY HA3 H 1 3.9180 0.0000 A 25 GLY CA C 13 44.7970 0.0000 A 25 GLY N N 15 110.0510 0.0000 A 26 LYS H H 1 7.7890 0.0000 A 26 LYS HA H 1 4.4610 0.0000 A 26 LYS HB2 H 1 1.9160 0.0000 A 26 LYS HB3 H 1 1.8410 0.0000 A 26 LYS HD2 H 1 1.7340 0.0000 A 26 LYS HD3 H 1 1.7340 0.0000 A 26 LYS HE2 H 1 3.0380 0.0000 A 26 LYS HE3 H 1 3.0400 0.0000 A 26 LYS HG2 H 1 1.4360 0.0000 A 26 LYS HG3 H 1 1.5110 0.0000 A 26 LYS CA C 13 55.8810 0.0000 A 26 LYS CB C 13 32.9850 0.0000 A 26 LYS CD C 13 28.6360 0.0000 A 26 LYS CE C 13 42.0050 0.0000 A 26 LYS CG C 13 24.5990 0.0000 A 26 LYS N N 15 118.6040 0.0000 A 27 ILE H H 1 7.7690 0.0000 A 27 ILE HA H 1 4.2330 0.0000 A 27 ILE HB H 1 1.9130 0.0000 A 27 ILE HD1% H 1 0.8910 0.0000 A 27 ILE HG12 H 1 1.2150 0.0000 A 27 ILE HG13 H 1 1.5600 0.0000 A 27 ILE HG2% H 1 0.9220 0.0000 A 27 ILE CA C 13 61.1270 0.0000 A 27 ILE CB C 13 38.8330 0.0000 A 27 ILE CD1 C 13 11.9760 0.0000 A 27 ILE CG1 C 13 26.8830 0.0000 A 27 ILE CG2 C 13 16.6640 0.0000 A 27 ILE N N 15 118.6320 0.0000 A 28 VAL H H 1 7.7010 0.0000 A 28 VAL HA H 1 4.5360 0.0000 A 28 VAL HB H 1 2.1040 0.0000 A 28 VAL HG1% H 1 0.9640 0.0000 A 28 VAL HG2% H 1 0.9840 0.0000 A 28 VAL CA C 13 58.9380 0.0000 A 28 VAL CB C 13 32.8710 0.0000 A 28 VAL CG1 C 13 19.5560 0.0000 A 28 VAL CG2 C 13 19.4530 0.0000 A 28 VAL N N 15 121.8420 0.0000 A 29 PRO HA H 1 4.4820 0.0000 A 29 PRO HB2 H 1 2.0270 0.0000 A 29 PRO HB3 H 1 2.0270 0.0000 A 29 PRO HD2 H 1 3.8230 0.0000 A 29 PRO HD3 H 1 3.6560 0.0000 A 29 PRO HG2 H 1 1.9890 0.0000 A 29 PRO HG3 H 1 2.1510 0.0000 A 29 PRO CA C 13 62.5220 0.0000 A 29 PRO CB C 13 30.7480 0.0000 A 29 PRO CD C 13 50.2070 0.0000 A 29 PRO CG C 13 26.5570 0.0000 A 30 LEU H H 1 7.6480 0.0000 A 30 LEU HA H 1 4.6290 0.0000 A 30 LEU HB2 H 1 1.5510 0.0000 A 30 LEU HB3 H 1 1.3170 0.0000 A 30 LEU HD1% H 1 0.9760 0.0000 A 30 LEU HD2% H 1 0.9370 0.0000 A 30 LEU HG H 1 1.6780 0.0000 A 30 LEU CA C 13 52.4250 0.0000 A 30 LEU CB C 13 42.3780 0.0000 A 30 LEU CD1 C 13 24.4460 0.0000 A 30 LEU CD2 C 13 22.4390 0.0000 A 30 LEU CG C 13 26.7110 0.0000 A 30 LEU N N 15 121.3530 0.0000 A 31 PRO HA H 1 4.3840 0.0000 A 31 PRO HB2 H 1 2.1010 0.0000 A 31 PRO HB3 H 1 2.1010 0.0000 A 31 PRO HD2 H 1 3.4350 0.0000 A 31 PRO HD3 H 1 3.6940 0.0000 A 31 PRO HG2 H 1 1.9450 0.0000 A 31 PRO HG3 H 1 1.8430 0.0000 A 31 PRO CA C 13 63.3140 0.0000 A 31 PRO CB C 13 30.6350 0.0000 A 31 PRO CD C 13 49.7210 0.0000 A 31 PRO CG C 13 26.4810 0.0000 A 32 PHE H H 1 7.2460 0.0000 A 32 PHE HA H 1 4.7000 0.0000 A 32 PHE HB2 H 1 3.2170 0.0000 A 32 PHE HB3 H 1 3.0620 0.0000 A 32 PHE CA C 13 55.0500 0.0000 A 32 PHE CB C 13 39.1000 0.0000 A 32 PHE N N 15 116.2710 0.0000 A 33 GLY H H 1 7.7270 0.0000 A 33 GLY HA2 H 1 3.9120 0.0000 A 33 GLY HA3 H 1 3.8560 0.0000 A 33 GLY CA C 13 46.2960 0.0000 A 33 GLY N N 15 110.9010 0.0000 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 24 VAL HG1% A 25 GLY H 1.0 . 5.50 2 2 A 24 VAL HG1% A 25 GLY H 1.0 . 5.50 3 3 A 24 VAL HG1% A 25 GLY H 1.0 . 5.50 4 4 A 7 VAL H A 7 VAL HG2% 1.0 . 4.01 5 5 A 7 VAL H A 7 VAL HG2% 1.0 . 4.53 6 6 A 7 VAL H A 7 VAL HG2% 1.0 . 4.62 7 7 A 13 ILE HG2% A 14 PHE H 1.0 . 5.20 8 8 A 13 ILE HG2% A 14 PHE H 1.0 . 5.50 9 9 A 13 ILE H A 13 ILE HG13 1.0 . 4.07 10 10 A 24 VAL HG1% A 24 VAL H 1.0 . 5.40 11 11 A 24 VAL HG1% A 24 VAL H 1.0 . 5.50 12 12 A 24 VAL HG1% A 24 VAL H 1.0 . 5.50 13 13 A 24 VAL H A 24 VAL HG2% 1.0 . 3.98 14 14 A 24 VAL H A 24 VAL HG2% 1.0 . 3.65 15 15 A 5 GLU H A 6 VAL HG2% 1.0 . 5.50 16 16 A 27 ILE H A 27 ILE HG2% 1.0 . 5.50 17 17 A 27 ILE H A 27 ILE HG2% 1.0 . 5.50 18 18 A 27 ILE H A 27 ILE HG2% 1.0 . 5.50 19 19 A 28 VAL H A 28 VAL HG2% 1.0 . 4.10 20 20 A 28 VAL H A 28 VAL HG2% 1.0 . 4.12 21 21 A 28 VAL H A 28 VAL HG2% 1.0 . 4.18 22 22 A 27 ILE HG2% A 28 VAL H 1.0 . 4.16 23 23 A 27 ILE HG2% A 28 VAL H 1.0 . 4.47 24 24 A 30 LEU H A 30 LEU HD2% 1.0 . 5.50 25 25 A 30 LEU H A 30 LEU HD2% 1.0 . 5.50 26 26 A 7 VAL HG2% A 3 TRP HE3 1.0 . 5.50 27 27 A 7 VAL HG2% A 3 TRP HE3 1.0 . 5.50 28 28 A 7 VAL HG2% A 3 TRP HE3 1.0 . 5.50 29 29 A 27 ILE H A 27 ILE HG12 1.0 . 4.30 30 30 A 13 ILE H A 12 THR HG2% 1.0 . 5.02 31 31 A 13 ILE H A 13 ILE HB 1.0 . 3.42 32 32 A 5 GLU H A 5 GLU HB3 1.0 . 3.90 33 33 A 13 ILE H A 13 ILE HG12 1.0 . 4.07 34 34 A 5 GLU H A 4 LYS HB2 1.0 . 4.64 35 35 A 5 GLU H A 4 LYS HB3 1.0 . 4.64 36 36 A 17 GLY H A 16 ALA HB% 1.0 . 3.57 37 37 A 16 ALA H A 16 ALA HB% 1.0 . 3.46 38 38 A 16 ALA H A 16 ALA HB% 1.0 . 3.63 39 39 A 26 LYS H A 26 LYS HG2 1.0 . 5.33 40 40 A 27 ILE H A 26 LYS HG2 1.0 . 5.50 41 41 A 14 PHE H A 12 THR HG2% 1.0 . 5.31 42 42 A 30 LEU H A 30 LEU HG 1.0 . 4.43 43 43 A 3 TRP H A 3 TRP HB2 1.0 . 3.90 44 44 A 3 TRP H A 3 TRP HB3 1.0 . 3.90 45 45 A 14 PHE H A 14 PHE HB2 1.0 . 3.52 46 46 A 15 SER H A 14 PHE HB3 1.0 . 3.82 47 47 A 10 GLY H A 9 ASN HB3 1.0 . 4.51 48 48 A 9 ASN H A 9 ASN HB3 1.0 . 3.87 49 49 A 8 GLN H A 8 GLN HG3 1.0 . 4.65 50 50 A 11 GLN H A 11 GLN HG3 1.0 . 4.32 51 51 A 18 GLN H A 18 GLN HG2 1.0 . 4.03 52 52 A 7 VAL H A 6 VAL HB 1.0 . 3.44 53 53 A 24 VAL H A 24 VAL HB 1.0 . 3.09 54 54 A 9 ASN H A 8 GLN HB2 1.0 . 4.55 55 55 A 8 GLN H A 8 GLN HB2 1.0 . 3.36 56 56 A 10 GLY H A 8 GLN HB3 1.0 . 5.09 57 57 A 9 ASN H A 8 GLN HB3 1.0 . 3.40 58 58 A 28 VAL H A 28 VAL HB 1.0 . 3.93 59 59 A 5 GLU H A 5 GLU HB2 1.0 . 3.90 60 60 A 7 VAL H A 7 VAL HB 1.0 . 3.42 61 61 A 1 TRP HB2 A 2 GLY H 1.0 . 5.50 62 62 A 2 GLY H A 1 TRP HB3 1.0 . 5.50 63 63 A 21 GLY H A 24 VAL HG2% 1.0 . 5.50 64 64 A 21 GLY H A 24 VAL HG2% 1.0 . 5.50 65 65 A 21 GLY H A 24 VAL HG2% 1.0 . 5.50 66 66 A 5 GLU H A 4 LYS HG2 1.0 . 5.50 67 67 A 13 ILE HB A 12 THR H 1.0 . 5.39 68 68 A 25 GLY H A 22 ASN HA 1.0 . 4.09 69 69 A 17 GLY H A 14 PHE HA 1.0 . 5.02 70 70 A 3 TRP HA A 6 VAL H 1.0 . 4.20 71 71 A 3 TRP HE3 A 3 TRP HA 1.0 . 4.21 72 72 A 17 GLY H A 15 SER HA 1.0 . 4.95 73 73 A 14 PHE H A 11 GLN HA 1.0 . 3.73 74 74 A 18 GLN H A 15 SER HA 1.0 . 3.89 75 75 A 28 VAL H A 27 ILE HA 1.0 . 3.46 76 76 A 19 LYS HA A 22 ASN H 1.0 . 4.19 77 77 A 16 ALA HA A 19 LYS H 1.0 . 3.60 78 78 A 11 GLN H A 12 THR HA 1.0 . 5.00 79 79 A 8 GLN H A 5 GLU HA 1.0 . 4.07 80 80 A 26 LYS H A 24 VAL HA 1.0 . 4.15 81 81 A 10 GLY H A 7 VAL HA 1.0 . 4.12 82 82 A 21 GLY H A 18 GLN HA 1.0 . 4.08 83 83 A 10 GLY H A 6 VAL HA 1.0 . 5.50 84 84 A 9 ASN H A 6 VAL HA 1.0 . 5.20 85 85 A 26 LYS H A 23 MET HA 1.0 . 3.51 86 86 A 30 LEU H A 29 PRO HA 1.0 . 3.54 87 87 A 14 PHE HA A 14 PHE HD1 1.0 . 5.06 88 88 A 14 PHE HA A 14 PHE HD2 1.0 . 4.70 89 89 A 5 GLU H A 3 TRP H 1.0 . 5.12 90 90 A 7 VAL H A 5 GLU H 1.0 . 5.50 91 91 A 5 GLU H A 6 VAL H 1.0 . 3.47 92 92 A 11 GLN H A 12 THR H 1.0 . 3.31 93 93 A 3 TRP H A 3 TRP HD1 1.0 . 4.43 94 94 A 3 TRP H A 4 LYS H 1.0 . 3.38 95 95 A 24 VAL H A 23 MET H 1.0 . 3.63 96 96 A 17 GLY H A 18 GLN H 1.0 . 3.58 97 97 A 22 ASN H A 23 MET H 1.0 . 3.24 98 98 A 13 ILE H A 12 THR H 1.0 . 3.64 99 99 A 10 GLY H A 9 ASN H 1.0 . 3.74 100 100 A 5 GLU H A 4 LYS H 1.0 . 3.24 101 101 A 7 VAL H A 8 GLN H 1.0 . 3.83 102 102 A 15 SER H A 14 PHE HD1 1.0 . 5.30 103 103 A 5 GLU H A 2 GLY H 1.0 . 5.50 104 104 A 3 TRP H A 2 GLY H 1.0 . 5.29 105 105 A 6 VAL H A 4 LYS H 1.0 . 4.38 106 106 A 3 TRP HD1 A 4 LYS H 1.0 . 5.14 107 107 A 30 LEU HD2% A 30 LEU HA 1.0 . 5.50 108 108 A 30 LEU HD2% A 30 LEU HA 1.0 . 5.50 109 109 A 30 LEU HD2% A 30 LEU HA 1.0 . 5.50 110 110 A 3 TRP HA A 6 VAL HG2% 1.0 . 5.01 111 111 A 3 TRP HA A 6 VAL HG2% 1.0 . 4.76 112 112 A 13 ILE HG2% A 14 PHE HA 1.0 . 5.50 113 113 A 13 ILE HG2% A 14 PHE HA 1.0 . 5.50 114 114 A 20 LEU HA A 20 LEU HD2% 1.0 . 4.36 115 115 A 20 LEU HA A 20 LEU HD2% 1.0 . 4.44 116 116 A 27 ILE HG2% A 27 ILE HA 1.0 . 3.91 117 117 A 12 THR HG2% A 12 THR HA 1.0 . 4.15 118 118 A 24 VAL HG2% A 24 VAL HA 1.0 . 4.05 119 119 A 24 VAL HG1% A 24 VAL HA 1.0 . 4.15 120 120 A 16 ALA HB% A 13 ILE HA 1.0 . 4.27 121 121 A 12 THR HG2% A 13 ILE HA 1.0 . 5.50 122 122 A 12 THR HG2% A 13 ILE HA 1.0 . 5.50 123 123 A 13 ILE HG2% A 13 ILE HA 1.0 . 3.79 124 124 A 6 VAL HA A 6 VAL HG2% 1.0 . 4.16 125 125 A 26 LYS HA A 26 LYS HD2 1.0 . 5.50 126 126 A 26 LYS HA A 26 LYS HD3 1.0 . 5.50 127 127 A 20 LEU HA A 20 LEU HG 1.0 . 4.14 128 128 A 8 GLN HA A 11 GLN HG2 1.0 . 5.50 129 129 A 8 GLN HA A 11 GLN HG3 1.0 . 5.50 130 130 A 28 VAL HB A 29 PRO HD3 1.0 . 4.30 131 131 A 28 VAL HB A 29 PRO HD2 1.0 . 4.30 132 132 A 19 LYS HA A 22 ASN HB2 1.0 . 5.50 133 133 A 19 LYS HA A 22 ASN HB3 1.0 . 5.50 134 134 A 11 GLN HA A 14 PHE HB3 1.0 . 5.01 135 135 A 6 VAL HA A 6 VAL HG1% 1.0 . 3.99 136 136 A 18 GLN HA A 18 GLN HG2 1.0 . 3.78 137 137 A 18 GLN HA A 18 GLN HG3 1.0 . 3.78 138 138 A 11 GLN HA A 14 PHE HB2 1.0 . 5.01 139 139 A 13 ILE H A 13 ILE HD1% 1.0 . 5.32 140 140 A 26 LYS H A 24 VAL HG2% 1.0 . 5.50 141 141 A 26 LYS H A 24 VAL HG2% 1.0 . 5.50 142 142 A 27 ILE HG2% A 28 VAL H 1.0 . 5.50 143 143 A 6 VAL H A 6 VAL HG1% 1.0 . 5.49 144 144 A 20 LEU HD2% A 20 LEU H 1.0 . 3.90 145 145 A 8 GLN H A 7 VAL HB 1.0 . 4.19 146 146 A 20 LEU H A 19 LYS HB2 1.0 . 4.34 147 147 A 20 LEU H A 19 LYS HB3 1.0 . 4.34 148 148 A 20 LEU H A 20 LEU HB3 1.0 . 3.59 149 149 A 20 LEU H A 20 LEU HB2 1.0 . 3.59 150 150 A 16 ALA HB% A 20 LEU H 1.0 . 4.30 151 151 A 19 LYS H A 19 LYS HD2 1.0 . 5.50 152 152 A 19 LYS H A 19 LYS HD3 1.0 . 5.50 153 153 A 26 LYS H A 26 LYS HB3 1.0 . 3.91 154 154 A 18 GLN H A 18 GLN HG3 1.0 . 4.03 155 155 A 14 PHE H A 14 PHE HB3 1.0 . 3.52 156 156 A 16 ALA HA A 20 LEU H 1.0 . 3.93 157 157 A 4 LYS H A 2 GLY HA2 1.0 . 5.23 158 158 A 4 LYS H A 2 GLY HA3 1.0 . 5.23 159 159 A 12 THR H A 8 GLN HA 1.0 . 4.33 160 160 A 16 ALA H A 13 ILE HA 1.0 . 3.89 161 161 A 16 ALA H A 18 GLN H 1.0 . 5.50 162 162 A 16 ALA H A 19 LYS H 1.0 . 5.50 163 163 A 28 VAL H A 27 ILE HB 1.0 . 4.31 164 164 A 14 PHE H A 13 ILE H 1.0 . 2.95 165 165 A 13 ILE H A 11 GLN H 1.0 . 4.37 166 166 A 13 ILE H A 9 ASN HA 1.0 . 5.15 167 167 A 13 ILE H A 12 THR HB 1.0 . 4.23 168 168 A 3 TRP H A 6 VAL HG2% 1.0 . 5.50 169 169 A 3 TRP H A 6 VAL HG2% 1.0 . 5.50 170 170 A 6 VAL H A 6 VAL HG2% 1.0 . 4.03 171 171 A 6 VAL H A 6 VAL HG2% 1.0 . 4.02 172 172 A 6 VAL HB A 6 VAL H 1.0 . 3.63 173 173 A 8 GLN H A 6 VAL H 1.0 . 4.13 174 174 A 7 VAL H A 6 VAL H 1.0 . 3.71 175 175 A 11 GLN H A 9 ASN HA 1.0 . 5.50 176 176 A 11 GLN H A 12 THR HB 1.0 . 5.50 177 177 A 11 GLN H A 11 GLN HG2 1.0 . 4.32 178 178 A 11 GLN H A 7 VAL HG1% 1.0 . 5.50 179 179 A 11 GLN H A 7 VAL HG1% 1.0 . 5.50 180 180 A 11 GLN H A 7 VAL HG1% 1.0 . 5.50 181 181 A 9 ASN H A 9 ASN HD22 1.0 . 5.50 182 182 A 9 ASN H A 7 VAL HA 1.0 . 4.72 183 183 A 9 ASN H A 9 ASN HB2 1.0 . 3.87 184 184 A 9 ASN H A 6 VAL HG1% 1.0 . 5.50 185 185 A 14 PHE H A 12 THR HA 1.0 . 4.93 186 186 A 14 PHE H A 13 ILE HB 1.0 . 3.37 187 187 A 14 PHE H A 13 ILE HG12 1.0 . 5.50 188 188 A 14 PHE H A 16 ALA HB% 1.0 . 5.50 189 189 A 14 PHE H A 12 THR HG2% 1.0 . 5.50 190 190 A 14 PHE H A 13 ILE HG13 1.0 . 5.50 191 191 A 14 PHE H A 14 PHE HD1 1.0 . 5.50 192 192 A 14 PHE H A 14 PHE HD2 1.0 . 5.50 193 193 A 7 VAL H A 3 TRP HA 1.0 . 5.50 194 194 A 25 GLY H A 26 LYS H 1.0 . 3.36 195 195 A 26 LYS H A 26 LYS HG3 1.0 . 5.33 196 196 A 27 ILE H A 26 LYS HG3 1.0 . 5.50 197 197 A 26 LYS H A 26 LYS HB2 1.0 . 3.91 198 198 A 27 ILE H A 27 ILE HB 1.0 . 3.54 199 199 A 26 LYS H A 24 VAL HB 1.0 . 5.50 200 200 A 27 ILE H A 27 ILE HG13 1.0 . 4.30 201 201 A 23 MET H A 21 GLY HA2 1.0 . 5.50 202 202 A 23 MET H A 21 GLY HA3 1.0 . 5.50 203 203 A 23 MET H A 22 ASN HB2 1.0 . 4.62 204 204 A 23 MET H A 22 ASN HB3 1.0 . 4.62 205 205 A 23 MET H A 23 MET HG3 1.0 . 4.38 206 206 A 23 MET H A 23 MET HG2 1.0 . 4.38 207 207 A 24 VAL HG2% A 23 MET H 1.0 . 5.50 208 208 A 24 VAL HG2% A 23 MET H 1.0 . 5.50 209 209 A 22 ASN H A 22 ASN HB2 1.0 . 3.75 210 210 A 22 ASN H A 22 ASN HB3 1.0 . 3.75 211 211 A 24 VAL HB A 22 ASN H 1.0 . 5.50 212 212 A 5 GLU H A 5 GLU HG2 1.0 . 4.84 213 213 A 5 GLU H A 5 GLU HG3 1.0 . 4.84 214 214 A 5 GLU H A 4 LYS HG3 1.0 . 5.50 215 215 A 12 THR H A 9 ASN HA 1.0 . 3.81 216 216 A 12 THR H A 12 THR HB 1.0 . 3.46 217 217 A 12 THR H A 11 GLN HB2 1.0 . 4.73 218 218 A 12 THR H A 11 GLN HB3 1.0 . 4.73 219 219 A 12 THR HG2% A 12 THR H 1.0 . 4.67 220 220 A 12 THR HG2% A 12 THR H 1.0 . 5.36 221 221 A 32 PHE H A 33 GLY H 1.0 . 4.42 222 222 A 15 SER H A 14 PHE HB2 1.0 . 3.82 223 223 A 15 SER H A 13 ILE HA 1.0 . 5.50 224 224 A 16 ALA HB% A 15 SER H 1.0 . 5.50 225 225 A 16 ALA HB% A 15 SER H 1.0 . 5.50 226 226 A 9 ASN H A 9 ASN HD21 1.0 . 5.50 227 227 A 25 GLY H A 24 VAL HG2% 1.0 . 5.01 228 228 A 25 GLY H A 24 VAL HB 1.0 . 4.56 229 229 A 25 GLY H A 24 VAL HA 1.0 . 3.54 230 230 A 25 GLY H A 23 MET HA 1.0 . 5.50 231 231 A 25 GLY H A 24 VAL H 1.0 . 3.79 232 232 A 10 GLY H A 9 ASN HB2 1.0 . 4.51 233 233 A 10 GLY H A 7 VAL HG1% 1.0 . 5.50 234 234 A 10 GLY H A 7 VAL HG1% 1.0 . 5.50 235 235 A 10 GLY H A 7 VAL HG1% 1.0 . 5.50 236 236 A 33 GLY H A 31 PRO HA 1.0 . 5.50 237 237 A 21 GLY H A 22 ASN H 1.0 . 3.16 238 238 A 21 GLY H A 19 LYS HB2 1.0 . 5.50 239 239 A 21 GLY H A 19 LYS HB3 1.0 . 5.50 240 240 A 24 VAL HB A 21 GLY H 1.0 . 5.50 241 241 A 21 GLY H A 22 ASN HB2 1.0 . 5.50 242 242 A 21 GLY H A 22 ASN HB3 1.0 . 5.50 243 243 A 7 VAL HG1% A 11 GLN HE21 1.0 . 5.50 244 244 A 7 VAL HG1% A 11 GLN HE21 1.0 . 5.50 245 245 A 7 VAL HG1% A 11 GLN HE21 1.0 . 5.50 246 246 A 7 VAL HG1% A 11 GLN HE22 1.0 . 5.50 247 247 A 7 VAL HG1% A 11 GLN HE22 1.0 . 5.50 248 248 A 7 VAL HG1% A 11 GLN HE22 1.0 . 5.50 249 249 A 8 GLN H A 8 GLN HG2 1.0 . 4.65 250 250 A 8 GLN H A 8 GLN HB3 1.0 . 3.24 251 251 A 2 GLY H A 5 GLU HB3 1.0 . 4.81 252 251 A 2 GLY H A 5 GLU HB2 1.0 . 4.81 253 252 A 4 LYS H A 2 GLY HA3 1.0 . 4.37 254 252 A 4 LYS H A 2 GLY HA2 1.0 . 4.37 255 253 A 5 GLU H A 2 GLY HA3 1.0 . 4.30 256 253 A 5 GLU H A 2 GLY HA2 1.0 . 4.30 257 254 A 6 VAL HG2% A 2 GLY HA3 1.0 . 5.34 258 254 A 6 VAL HG2% A 2 GLY HA2 1.0 . 5.34 259 255 A 4 LYS H A 3 TRP HB2 1.0 . 4.01 260 255 A 4 LYS H A 3 TRP HB3 1.0 . 4.01 261 256 A 4 LYS H A 4 LYS HB3 1.0 . 3.01 262 256 A 4 LYS H A 4 LYS HB2 1.0 . 3.01 263 257 A 4 LYS H A 4 LYS HG3 1.0 . 4.31 264 257 A 4 LYS H A 4 LYS HG2 1.0 . 4.31 265 258 A 4 LYS HA A 4 LYS HG3 1.0 . 3.58 266 258 A 4 LYS HG2 A 4 LYS HA 1.0 . 3.58 267 259 A 5 GLU H A 4 LYS HB3 1.0 . 4.00 268 259 A 5 GLU H A 4 LYS HB2 1.0 . 4.00 269 260 A 5 GLU H A 5 GLU HB3 1.0 . 3.36 270 260 A 5 GLU H A 5 GLU HB2 1.0 . 3.36 271 261 A 5 GLU H A 5 GLU HG3 1.0 . 4.21 272 261 A 5 GLU H A 5 GLU HG2 1.0 . 4.21 273 262 A 5 GLU HA A 5 GLU HG3 1.0 . 3.45 274 262 A 5 GLU HA A 5 GLU HG2 1.0 . 3.45 275 263 A 6 VAL H A 5 GLU HB3 1.0 . 4.24 276 263 A 6 VAL H A 5 GLU HB2 1.0 . 4.24 277 264 A 6 VAL H A 5 GLU HG3 1.0 . 5.34 278 264 A 6 VAL H A 5 GLU HG2 1.0 . 5.34 279 265 A 8 GLN H A 8 GLN HG2 1.0 . 4.08 280 265 A 8 GLN H A 8 GLN HG3 1.0 . 4.08 281 266 A 8 GLN HA A 11 GLN HG2 1.0 . 4.74 282 266 A 8 GLN HA A 11 GLN HG3 1.0 . 4.74 283 267 A 9 ASN H A 8 GLN HG2 1.0 . 4.21 284 267 A 9 ASN H A 8 GLN HG3 1.0 . 4.21 285 268 A 10 GLY H A 8 GLN HG2 1.0 . 5.34 286 268 A 10 GLY H A 8 GLN HG3 1.0 . 5.34 287 269 A 12 THR HG2% A 8 GLN HE22 1.0 . 5.34 288 269 A 12 THR HG2% A 8 GLN HE21 1.0 . 5.34 289 270 A 9 ASN H A 9 ASN HB3 1.0 . 3.14 290 270 A 9 ASN H A 9 ASN HB2 1.0 . 3.14 291 271 A 9 ASN H A 10 GLY HA2 1.0 . 5.17 292 271 A 9 ASN H A 10 GLY HA3 1.0 . 5.17 293 272 A 10 GLY H A 9 ASN HB3 1.0 . 3.73 294 272 A 10 GLY H A 9 ASN HB2 1.0 . 3.73 295 273 A 10 GLY H A 11 GLN HB3 1.0 . 5.34 296 273 A 10 GLY H A 11 GLN HB2 1.0 . 5.34 297 274 A 12 THR H A 10 GLY HA2 1.0 . 4.78 298 274 A 12 THR H A 10 GLY HA3 1.0 . 4.78 299 275 A 13 ILE H A 10 GLY HA2 1.0 . 4.73 300 275 A 13 ILE H A 10 GLY HA3 1.0 . 4.73 301 276 A 11 GLN H A 11 GLN HB3 1.0 . 3.18 302 276 A 11 GLN H A 11 GLN HB2 1.0 . 3.18 303 277 A 11 GLN H A 11 GLN HG2 1.0 . 3.51 304 277 A 11 GLN H A 11 GLN HG3 1.0 . 3.51 305 278 A 11 GLN HA A 14 PHE HB3 1.0 . 4.23 306 278 A 11 GLN HA A 14 PHE HB2 1.0 . 4.23 307 279 A 12 THR H A 11 GLN HB3 1.0 . 3.92 308 279 A 12 THR H A 11 GLN HB2 1.0 . 3.92 309 280 A 14 PHE H A 11 GLN HB3 1.0 . 4.84 310 280 A 14 PHE H A 11 GLN HB2 1.0 . 4.84 311 281 A 15 SER H A 11 GLN HB3 1.0 . 3.80 312 281 A 15 SER H A 11 GLN HB2 1.0 . 3.80 313 282 A 12 THR H A 11 GLN HG2 1.0 . 4.77 314 282 A 12 THR H A 11 GLN HG3 1.0 . 4.77 315 283 A 12 THR H A 13 ILE HG13 1.0 . 5.34 316 283 A 12 THR H A 13 ILE HG12 1.0 . 5.34 317 284 A 13 ILE H A 13 ILE HG13 1.0 . 3.38 318 284 A 13 ILE H A 13 ILE HG12 1.0 . 3.38 319 285 A 13 ILE HA A 13 ILE HG13 1.0 . 3.70 320 285 A 13 ILE HA A 13 ILE HG12 1.0 . 3.70 321 286 A 14 PHE H A 14 PHE HB3 1.0 . 3.02 322 286 A 14 PHE H A 14 PHE HB2 1.0 . 3.02 323 287 A 14 PHE H A 15 SER HB2 1.0 . 5.26 324 287 A 14 PHE H A 15 SER HB3 1.0 . 5.26 325 288 A 14 PHE HD1 A 18 GLN HE22 1.0 . 4.41 326 288 A 14 PHE HD1 A 18 GLN HE21 1.0 . 4.41 327 289 A 14 PHE HE1 A 18 GLN HE22 1.0 . 4.52 328 289 A 18 GLN HE21 A 14 PHE HE1 1.0 . 4.52 329 290 A 14 PHE HZ A 18 GLN HE22 1.0 . 5.34 330 290 A 18 GLN HE21 A 14 PHE HZ 1.0 . 5.34 331 291 A 15 SER H A 15 SER HB2 1.0 . 3.01 332 291 A 15 SER H A 15 SER HB3 1.0 . 3.01 333 292 A 16 ALA H A 15 SER HB2 1.0 . 3.16 334 292 A 16 ALA H A 15 SER HB3 1.0 . 3.16 335 293 A 16 ALA HB% A 15 SER HB2 1.0 . 5.10 336 293 A 16 ALA HB% A 15 SER HB3 1.0 . 5.10 337 294 A 16 ALA HB% A 15 SER HB2 1.0 . 5.34 338 294 A 16 ALA HB% A 15 SER HB3 1.0 . 5.34 339 295 A 17 GLY H A 15 SER HB2 1.0 . 5.01 340 295 A 17 GLY H A 15 SER HB3 1.0 . 5.01 341 296 A 16 ALA HA A 19 LYS HB3 1.0 . 3.55 342 296 A 16 ALA HA A 19 LYS HB2 1.0 . 3.55 343 297 A 16 ALA HA A 19 LYS HG2 1.0 . 4.39 344 297 A 16 ALA HA A 19 LYS HG3 1.0 . 4.39 345 298 A 16 ALA HA A 19 LYS HD3 1.0 . 5.34 346 298 A 16 ALA HA A 19 LYS HD2 1.0 . 5.34 347 299 A 18 GLN H A 18 GLN HB2 1.0 . 2.99 348 299 A 18 GLN H A 18 GLN HB3 1.0 . 2.99 349 300 A 18 GLN H A 18 GLN HG2 1.0 . 3.47 350 300 A 18 GLN H A 18 GLN HG3 1.0 . 3.47 351 301 A 19 LYS H A 18 GLN HB2 1.0 . 3.40 352 301 A 19 LYS H A 18 GLN HB3 1.0 . 3.40 353 302 A 19 LYS H A 18 GLN HG2 1.0 . 4.17 354 302 A 19 LYS H A 18 GLN HG3 1.0 . 4.17 355 303 A 19 LYS H A 19 LYS HB3 1.0 . 2.86 356 303 A 19 LYS H A 19 LYS HB2 1.0 . 2.86 357 304 A 19 LYS H A 19 LYS HG2 1.0 . 3.30 358 304 A 19 LYS H A 19 LYS HG3 1.0 . 3.30 359 305 A 19 LYS HA A 19 LYS HD3 1.0 . 5.34 360 305 A 19 LYS HA A 19 LYS HD2 1.0 . 5.34 361 306 A 19 LYS HA A 22 ASN HB3 1.0 . 4.81 362 306 A 19 LYS HA A 22 ASN HB2 1.0 . 4.81 363 307 A 20 LEU H A 19 LYS HB3 1.0 . 3.62 364 307 A 20 LEU H A 19 LYS HB2 1.0 . 3.62 365 308 A 20 LEU H A 19 LYS HG2 1.0 . 5.04 366 308 A 20 LEU H A 19 LYS HG3 1.0 . 5.04 367 309 A 20 LEU H A 20 LEU HB3 1.0 . 3.07 368 309 A 20 LEU H A 20 LEU HB2 1.0 . 3.07 369 310 A 21 GLY H A 20 LEU HB3 1.0 . 3.57 370 310 A 21 GLY H A 20 LEU HB2 1.0 . 3.57 371 311 A 23 MET H A 21 GLY HA3 1.0 . 4.84 372 311 A 23 MET H A 21 GLY HA2 1.0 . 4.84 373 312 A 21 GLY HA2 A 23 MET HG3 1.0 . 4.70 374 312 A 21 GLY HA3 A 23 MET HG3 1.0 . 4.70 375 312 A 23 MET HG2 A 21 GLY HA3 1.0 . 4.70 376 312 A 21 GLY HA2 A 23 MET HG2 1.0 . 4.70 377 313 A 24 VAL H A 21 GLY HA3 1.0 . 3.74 378 313 A 24 VAL H A 21 GLY HA2 1.0 . 3.74 379 314 A 24 VAL HG2% A 21 GLY HA2 1.0 . 4.73 380 314 A 24 VAL HG2% A 21 GLY HA3 1.0 . 4.73 381 315 A 22 ASN H A 22 ASN HB3 1.0 . 3.21 382 315 A 22 ASN H A 22 ASN HB2 1.0 . 3.21 383 316 A 22 ASN H A 22 ASN HD22 1.0 . 5.34 384 316 A 22 ASN H A 22 ASN HD21 1.0 . 5.34 385 317 A 22 ASN H A 23 MET HB2 1.0 . 5.34 386 317 A 22 ASN H A 23 MET HB3 1.0 . 5.34 387 318 A 23 MET H A 22 ASN HB3 1.0 . 4.04 388 318 A 23 MET H A 22 ASN HB2 1.0 . 4.04 389 319 A 23 MET H A 23 MET HB2 1.0 . 3.02 390 319 A 23 MET H A 23 MET HB3 1.0 . 3.02 391 320 A 23 MET HA A 26 LYS HB3 1.0 . 4.20 392 320 A 23 MET HA A 26 LYS HB2 1.0 . 4.20 393 321 A 26 LYS H A 23 MET HB2 1.0 . 5.34 394 321 A 26 LYS H A 23 MET HB3 1.0 . 5.34 395 322 A 26 LYS H A 26 LYS HB3 1.0 . 3.04 396 322 A 26 LYS H A 26 LYS HB2 1.0 . 3.04 397 323 A 26 LYS H A 26 LYS HG3 1.0 . 4.52 398 323 A 26 LYS H A 26 LYS HG2 1.0 . 4.52 399 324 A 26 LYS H A 26 LYS HD3 1.0 . 5.34 400 324 A 26 LYS H A 26 LYS HD2 1.0 . 5.34 401 325 A 26 LYS HA A 26 LYS HD3 1.0 . 4.80 402 325 A 26 LYS HA A 26 LYS HD2 1.0 . 4.80 403 326 A 27 ILE H A 26 LYS HB3 1.0 . 4.19 404 326 A 27 ILE H A 26 LYS HB2 1.0 . 4.19 405 327 A 27 ILE H A 26 LYS HG3 1.0 . 4.77 406 327 A 27 ILE H A 26 LYS HG2 1.0 . 4.77 407 328 A 27 ILE H A 26 LYS HD3 1.0 . 5.34 408 328 A 27 ILE H A 26 LYS HD2 1.0 . 5.34 409 329 A 27 ILE H A 27 ILE HG13 1.0 . 3.43 410 329 A 27 ILE H A 27 ILE HG12 1.0 . 3.43 411 330 A 28 VAL H A 27 ILE HG13 1.0 . 5.33 412 330 A 28 VAL H A 27 ILE HG12 1.0 . 5.33 413 331 A 28 VAL HB A 29 PRO HD3 1.0 . 3.54 414 331 A 28 VAL HB A 29 PRO HD2 1.0 . 3.54 415 332 A 28 VAL HG1% A 29 PRO HD3 1.0 . 5.35 416 332 A 29 PRO HD2 A 28 VAL HG1% 1.0 . 5.35 417 333 A 29 PRO HD2 A 28 VAL HG1% 1.0 . 5.35 418 333 A 28 VAL HG1% A 29 PRO HD3 1.0 . 5.35 419 334 A 29 PRO HD2 A 28 VAL HG1% 1.0 . 5.35 420 334 A 28 VAL HG1% A 29 PRO HD3 1.0 . 5.35 421 335 A 30 LEU H A 29 PRO HG2 1.0 . 4.27 422 335 A 30 LEU H A 29 PRO HG3 1.0 . 4.27 423 336 A 30 LEU H A 29 PRO HD3 1.0 . 4.96 424 336 A 30 LEU H A 29 PRO HD2 1.0 . 4.96 425 337 A 30 LEU H A 30 LEU HB2 1.0 . 3.60 426 337 A 30 LEU H A 30 LEU HB3 1.0 . 3.60 427 338 A 30 LEU H A 31 PRO HD2 1.0 . 5.35 428 338 A 30 LEU H A 31 PRO HD3 1.0 . 5.35 429 339 A 30 LEU HB2 A 31 PRO HD2 1.0 . 5.05 430 339 A 30 LEU HB3 A 31 PRO HD2 1.0 . 5.05 431 339 A 31 PRO HD3 A 30 LEU HB2 1.0 . 5.05 432 339 A 30 LEU HB3 A 31 PRO HD3 1.0 . 5.05 433 340 A 32 PHE H A 30 LEU HB2 1.0 . 5.32 434 340 A 32 PHE H A 30 LEU HB3 1.0 . 5.32 435 341 A 33 GLY H A 31 PRO HB2 1.0 . 5.34 436 341 A 33 GLY H A 31 PRO HB3 1.0 . 5.34 437 342 A 32 PHE H A 31 PRO HG2 1.0 . 4.76 438 342 A 32 PHE H A 31 PRO HG3 1.0 . 4.76 439 343 A 32 PHE H A 31 PRO HD2 1.0 . 4.96 440 343 A 32 PHE H A 31 PRO HD3 1.0 . 4.96 441 344 A 32 PHE H A 32 PHE HB2 1.0 . 3.68 442 344 A 32 PHE H A 32 PHE HB3 1.0 . 3.68 stop_ save_