data_nef_c30235_5ujq 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 30236 PDB 5UJQ 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 SER start . . 2 A 2 ALA middle . . 3 A 3 ILE middle . . 4 A 4 LEU middle . . 5 A 5 ALA middle . . 6 A 6 ILE middle . . 7 A 7 THR middle . . 8 A 8 LEU middle . . 9 A 9 GLY middle . false 10 A 10 ILE middle . . 11 A 11 PHE middle . . 12 A 12 ALA middle . . 13 A 13 THR middle . . 14 A 14 GLY middle . false 15 A 15 TYR middle . . 16 A 16 GLY middle . false 17 A 17 MET middle . . 18 A 18 GLY middle . false 19 A 19 VAL middle . . 20 A 20 GLN middle . . 21 A 21 LYS middle . . 22 A 22 ALA middle . . 23 A 23 ILE middle . . 24 A 24 ASN middle . . 25 A 25 ASP middle . . 26 A 26 ARG middle . . 27 A 27 ARG middle . . 28 A 28 LYS middle . . 29 A 29 LYS 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 SER HA H 1 4.2910 0.0000 A 1 SER HB2 H 1 4.2300 0.0000 A 1 SER HB3 H 1 4.1060 0.0000 A 1 SER CA C 13 56.6750 0.0000 A 1 SER CB C 13 63.2720 0.0000 A 2 ALA H H 1 8.9090 0.0000 A 2 ALA HA H 1 4.3960 0.0000 A 2 ALA HB% H 1 1.5000 0.0000 A 2 ALA CA C 13 54.0630 0.0000 A 2 ALA CB C 13 17.7990 0.0000 A 2 ALA N N 15 124.9720 0.0000 A 3 ILE H H 1 7.7120 0.0000 A 3 ILE HA H 1 4.0200 0.0000 A 3 ILE HB H 1 1.8470 0.0000 A 3 ILE HD1% H 1 0.9330 0.0000 A 3 ILE HG12 H 1 1.5140 0.0000 A 3 ILE HG13 H 1 1.3210 0.0000 A 3 ILE HG2% H 1 0.9470 0.0000 A 3 ILE CA C 13 63.0850 0.0000 A 3 ILE CB C 13 37.9030 0.0000 A 3 ILE CD1 C 13 11.9560 0.0000 A 3 ILE CG1 C 13 28.2850 0.0000 A 3 ILE CG2 C 13 16.6080 0.0000 A 3 ILE N N 15 115.4500 0.0000 A 4 LEU H H 1 7.6660 0.0000 A 4 LEU HA H 1 4.1910 0.0000 A 4 LEU HB2 H 1 1.6560 0.0000 A 4 LEU HB3 H 1 1.7520 0.0000 A 4 LEU HD1% H 1 0.8840 0.0000 A 4 LEU HD2% H 1 0.8840 0.0000 A 4 LEU HG H 1 0.9430 0.0000 A 4 LEU CA C 13 57.8210 0.0000 A 4 LEU CB C 13 41.6380 0.0000 A 4 LEU CD1 C 13 22.0020 0.0000 A 4 LEU CD2 C 13 22.0020 0.0000 A 4 LEU CG C 13 23.7820 0.0000 A 4 LEU N N 15 123.5580 0.0000 A 5 ALA H H 1 7.5170 0.0000 A 5 ALA HA H 1 4.0780 0.0000 A 5 ALA HB% H 1 1.5250 0.0000 A 5 ALA CA C 13 55.2720 0.0000 A 5 ALA CB C 13 17.5560 0.0000 A 5 ALA N N 15 119.8760 0.0000 A 6 ILE H H 1 8.1580 0.0000 A 6 ILE HA H 1 3.8460 0.0000 A 6 ILE HB H 1 1.8990 0.0000 A 6 ILE HD1% H 1 0.8670 0.0000 A 6 ILE HG12 H 1 1.7670 0.0000 A 6 ILE HG13 H 1 1.1740 0.0000 A 6 ILE HG2% H 1 0.9250 0.0000 A 6 ILE CA C 13 65.0460 0.0000 A 6 ILE CB C 13 38.1960 0.0000 A 6 ILE CD1 C 13 12.1760 0.0000 A 6 ILE CG1 C 13 28.9080 0.0000 A 6 ILE CG2 C 13 11.9550 0.0000 A 6 ILE N N 15 117.2950 0.0000 A 7 THR H H 1 7.9600 0.0000 A 7 THR HA H 1 3.8870 0.0000 A 7 THR HB H 1 4.3560 0.0000 A 7 THR HG2% H 1 1.2110 0.0000 A 7 THR CA C 13 67.0280 0.0000 A 7 THR CB C 13 69.0120 0.0000 A 7 THR CG2 C 13 20.5590 0.0000 A 7 THR N N 15 115.2360 0.0000 A 8 LEU H H 1 8.4170 0.0000 A 8 LEU HA H 1 4.2630 0.0000 A 8 LEU HB2 H 1 1.8790 0.0000 A 8 LEU HB3 H 1 1.6210 0.0000 A 8 LEU HD1% H 1 0.8980 0.0000 A 8 LEU HD2% H 1 0.8440 0.0000 A 8 LEU HG H 1 0.9110 0.0000 A 8 LEU CA C 13 57.9220 0.0000 A 8 LEU CB C 13 41.4640 0.0000 A 8 LEU CD1 C 13 23.0990 0.0000 A 8 LEU CD2 C 13 21.9620 0.0000 A 8 LEU CG C 13 24.1160 0.0000 A 8 LEU N N 15 120.3050 0.0000 A 9 GLY H H 1 8.0450 0.0000 A 9 GLY HA2 H 1 3.9290 0.0000 A 9 GLY HA3 H 1 3.9290 0.0000 A 9 GLY CA C 13 46.7360 0.0000 A 9 GLY N N 15 105.8120 0.0000 A 10 ILE H H 1 8.3300 0.0000 A 10 ILE HA H 1 3.8720 0.0000 A 10 ILE HB H 1 2.0350 0.0000 A 10 ILE HD1% H 1 0.8500 0.0000 A 10 ILE HG12 H 1 1.8110 0.0000 A 10 ILE HG13 H 1 1.1260 0.0000 A 10 ILE HG2% H 1 0.8530 0.0000 A 10 ILE CA C 13 64.4450 0.0000 A 10 ILE CB C 13 37.8660 0.0000 A 10 ILE CD1 C 13 12.5690 0.0000 A 10 ILE CG1 C 13 28.3550 0.0000 A 10 ILE CG2 C 13 16.3060 0.0000 A 10 ILE N N 15 123.6520 0.0000 A 11 PHE H H 1 8.3190 0.0000 A 11 PHE HA H 1 4.3800 0.0000 A 11 PHE HB2 H 1 3.2880 0.0000 A 11 PHE HB3 H 1 3.2880 0.0000 A 11 PHE CA C 13 60.7970 0.0000 A 11 PHE CB C 13 38.5710 0.0000 A 11 PHE N N 15 120.5240 0.0000 A 12 ALA H H 1 8.9370 0.0000 A 12 ALA HA H 1 4.1650 0.0000 A 12 ALA HB% H 1 1.6160 0.0000 A 12 ALA CA C 13 54.9900 0.0000 A 12 ALA CB C 13 17.9110 0.0000 A 12 ALA N N 15 121.0210 0.0000 A 13 THR H H 1 8.0330 0.0000 A 13 THR HA H 1 4.1530 0.0000 A 13 THR HB H 1 4.3880 0.0000 A 13 THR HG2% H 1 1.3270 0.0000 A 13 THR CA C 13 65.1850 0.0000 A 13 THR CB C 13 69.2400 0.0000 A 13 THR CG2 C 13 20.6450 0.0000 A 13 THR N N 15 111.7680 0.0000 A 14 GLY H H 1 8.2390 0.0000 A 14 GLY HA2 H 1 3.9120 0.0000 A 14 GLY HA3 H 1 3.9120 0.0000 A 14 GLY CA C 13 46.7360 0.0000 A 14 GLY N N 15 109.1430 0.0000 A 15 TYR H H 1 8.1980 0.0000 A 15 TYR HA H 1 4.3310 0.0000 A 15 TYR HB2 H 1 2.6940 0.0000 A 15 TYR HB3 H 1 2.1940 0.0000 A 15 TYR CA C 13 57.8590 0.0000 A 15 TYR CB C 13 32.1310 0.0000 A 15 TYR N N 15 119.3990 0.0000 A 16 GLY H H 1 8.0900 0.0000 A 16 GLY HA2 H 1 3.8910 0.0000 A 16 GLY HA3 H 1 3.8910 0.0000 A 16 GLY CA C 13 46.6390 0.0000 A 16 GLY N N 15 107.3570 0.0000 A 17 MET H H 1 8.3560 0.0000 A 17 MET HA H 1 4.2680 0.0000 A 17 MET HE% H 1 2.0910 0.0000 A 17 MET CA C 13 60.6340 0.0000 A 17 MET CE C 13 16.0850 0.0000 A 17 MET N N 15 122.0250 0.0000 A 18 GLY H H 1 8.3430 0.0000 A 18 GLY HA2 H 1 3.8630 0.0000 A 18 GLY HA3 H 1 3.8630 0.0000 A 18 GLY CA C 13 46.6390 0.0000 A 18 GLY N N 15 106.4640 0.0000 A 19 VAL H H 1 7.9350 0.0000 A 19 VAL HA H 1 3.7360 0.0000 A 19 VAL HB H 1 2.1130 0.0000 A 19 VAL HG1% H 1 0.8890 0.0000 A 19 VAL HG2% H 1 0.8890 0.0000 A 19 VAL CA C 13 66.0830 0.0000 A 19 VAL CB C 13 31.8660 0.0000 A 19 VAL CG1 C 13 20.4520 0.0000 A 19 VAL CG2 C 13 20.4520 0.0000 A 19 VAL N N 15 122.1280 0.0000 A 20 GLN H H 1 8.0140 0.0000 A 20 GLN HA H 1 3.9550 0.0000 A 20 GLN HB2 H 1 2.1650 0.0000 A 20 GLN HB3 H 1 2.1650 0.0000 A 20 GLN HE21 H 1 7.0520 0.0000 A 20 GLN HE22 H 1 6.5120 0.0000 A 20 GLN HG2 H 1 2.4970 0.0000 A 20 GLN HG3 H 1 2.3860 0.0000 A 20 GLN CA C 13 59.1070 0.0000 A 20 GLN CB C 13 28.1780 0.0000 A 20 GLN CG C 13 33.8710 0.0000 A 20 GLN N N 15 117.5000 0.0000 A 20 GLN NE2 N 15 108.9500 0.0000 A 21 LYS H H 1 8.1040 0.0000 A 21 LYS HA H 1 4.0240 0.0000 A 21 LYS HB2 H 1 1.9610 0.0000 A 21 LYS HB3 H 1 1.9610 0.0000 A 21 LYS HD2 H 1 1.7400 0.0000 A 21 LYS HD3 H 1 1.7400 0.0000 A 21 LYS HE2 H 1 3.0230 0.0000 A 21 LYS HE3 H 1 3.0230 0.0000 A 21 LYS HG2 H 1 1.4920 0.0000 A 21 LYS HG3 H 1 1.4920 0.0000 A 21 LYS CA C 13 59.2500 0.0000 A 21 LYS CB C 13 32.2830 0.0000 A 21 LYS CD C 13 28.8340 0.0000 A 21 LYS CE C 13 42.1300 0.0000 A 21 LYS CG C 13 24.5640 0.0000 A 21 LYS N N 15 118.9500 0.0000 A 22 ALA H H 1 7.8880 0.0000 A 22 ALA HA H 1 4.1530 0.0000 A 22 ALA HB% H 1 1.5440 0.0000 A 22 ALA CA C 13 54.9900 0.0000 A 22 ALA CB C 13 17.3220 0.0000 A 22 ALA N N 15 121.6270 0.0000 A 23 ILE H H 1 8.3210 0.0000 A 23 ILE HA H 1 3.7570 0.0000 A 23 ILE HB H 1 1.9190 0.0000 A 23 ILE HD1% H 1 0.8430 0.0000 A 23 ILE HG12 H 1 1.7770 0.0000 A 23 ILE HG13 H 1 1.1700 0.0000 A 23 ILE HG2% H 1 0.8990 0.0000 A 23 ILE CA C 13 64.5540 0.0000 A 23 ILE CB C 13 38.1960 0.0000 A 23 ILE CD1 C 13 12.3900 0.0000 A 23 ILE CG1 C 13 28.3890 0.0000 A 23 ILE CG2 C 13 12.1900 0.0000 A 23 ILE N N 15 117.5580 0.0000 A 24 ASN H H 1 8.2260 0.0000 A 24 ASN HA H 1 4.5080 0.0000 A 24 ASN HB2 H 1 2.8600 0.0000 A 24 ASN HB3 H 1 2.9220 0.0000 A 24 ASN HD21 H 1 7.5810 0.0000 A 24 ASN HD22 H 1 6.7880 0.0000 A 24 ASN CA C 13 55.8630 0.0000 A 24 ASN CB C 13 38.6090 0.0000 A 24 ASN N N 15 118.0980 0.0000 A 24 ASN ND2 N 15 111.1430 0.0000 A 25 ASP H H 1 8.3910 0.0000 A 25 ASP HA H 1 4.5920 0.0000 A 25 ASP HB2 H 1 2.9080 0.0000 A 25 ASP HB3 H 1 3.0170 0.0000 A 25 ASP CA C 13 55.1270 0.0000 A 25 ASP CB C 13 38.4630 0.0000 A 25 ASP N N 15 118.1580 0.0000 A 26 ARG H H 1 7.8610 0.0000 A 26 ARG HA H 1 4.2810 0.0000 A 26 ARG HB2 H 1 1.9680 0.0000 A 26 ARG HB3 H 1 1.9680 0.0000 A 26 ARG HD2 H 1 3.2370 0.0000 A 26 ARG HD3 H 1 3.2370 0.0000 A 26 ARG HG2 H 1 1.8210 0.0000 A 26 ARG HG3 H 1 1.8390 0.0000 A 26 ARG CA C 13 56.7950 0.0000 A 26 ARG CB C 13 30.3110 0.0000 A 26 ARG CD C 13 43.2150 0.0000 A 26 ARG CG C 13 27.0540 0.0000 A 26 ARG N N 15 118.9250 0.0000 A 27 ARG H H 1 7.8940 0.0000 A 27 ARG HA H 1 4.3180 0.0000 A 27 ARG HB2 H 1 1.8940 0.0000 A 27 ARG HB3 H 1 1.8940 0.0000 A 27 ARG HD2 H 1 3.0200 0.0000 A 27 ARG HD3 H 1 3.0200 0.0000 A 27 ARG HG2 H 1 1.5270 0.0000 A 27 ARG HG3 H 1 1.5270 0.0000 A 27 ARG CA C 13 56.8520 0.0000 A 27 ARG CB C 13 32.9360 0.0000 A 27 ARG CD C 13 42.1300 0.0000 A 27 ARG CG C 13 24.5570 0.0000 A 27 ARG N N 15 120.1130 0.0000 A 28 LYS H H 1 7.9400 0.0000 A 28 LYS HA H 1 4.2920 0.0000 A 28 LYS HB2 H 1 1.9740 0.0000 A 28 LYS HB3 H 1 1.9740 0.0000 A 28 LYS HD2 H 1 1.8390 0.0000 A 28 LYS HD3 H 1 1.8390 0.0000 A 28 LYS HE2 H 1 3.2280 0.0000 A 28 LYS HE3 H 1 3.2280 0.0000 A 28 LYS HG2 H 1 1.7420 0.0000 A 28 LYS HG3 H 1 1.7420 0.0000 A 28 LYS CA C 13 56.7460 0.0000 A 28 LYS CB C 13 30.3110 0.0000 A 28 LYS CD C 13 28.9080 0.0000 A 28 LYS CE C 13 43.2150 0.0000 A 28 LYS CG C 13 27.0710 0.0000 A 28 LYS N N 15 118.6050 0.0000 A 29 LYS H H 1 7.9060 0.0000 A 29 LYS HA H 1 4.3380 0.0000 A 29 LYS HB2 H 1 1.8360 0.0000 A 29 LYS HB3 H 1 1.9560 0.0000 A 29 LYS HD2 H 1 1.7400 0.0000 A 29 LYS HD3 H 1 1.7400 0.0000 A 29 LYS HE2 H 1 3.0390 0.0000 A 29 LYS HE3 H 1 3.0390 0.0000 A 29 LYS HG2 H 1 1.5050 0.0000 A 29 LYS HG3 H 1 1.6020 0.0000 A 29 LYS CA C 13 56.3570 0.0000 A 29 LYS CB C 13 32.9720 0.0000 A 29 LYS CD C 13 28.9080 0.0000 A 29 LYS CE C 13 42.1300 0.0000 A 29 LYS CG C 13 24.7850 0.0000 A 29 LYS N N 15 123.4450 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 13 THR HG2% A 14 GLY H 1.0 . 5.50 2 2 A 13 THR HG2% A 14 GLY H 1.0 . 5.50 3 3 A 13 THR HG2% A 14 GLY H 1.0 . 5.50 4 4 A 23 ILE H A 23 ILE HG13 1.0 . 4.08 5 5 A 6 ILE H A 7 THR HG2% 1.0 . 5.17 6 6 A 10 ILE H A 10 ILE HG13 1.0 . 4.04 7 7 A 3 ILE HG2% A 8 LEU H 1.0 . 5.16 8 8 A 3 ILE HG2% A 7 THR H 1.0 . 4.04 9 9 A 3 ILE HG2% A 7 THR H 1.0 . 4.48 10 10 A 3 ILE HG2% A 4 LEU H 1.0 . 4.17 11 11 A 3 ILE H A 3 ILE HD1% 1.0 . 4.51 12 12 A 3 ILE H A 3 ILE HD1% 1.0 . 4.99 13 13 A 3 ILE H A 3 ILE HD1% 1.0 . 5.08 14 14 A 16 GLY H A 19 VAL HG2% 1.0 . 4.44 15 15 A 19 VAL HG2% A 19 VAL H 1.0 . 3.57 16 16 A 6 ILE H A 6 ILE HD1% 1.0 . 4.86 17 17 A 6 ILE H A 6 ILE HD1% 1.0 . 5.47 18 18 A 6 ILE H A 6 ILE HD1% 1.0 . 5.44 19 19 A 10 ILE H A 10 ILE HD1% 1.0 . 3.47 20 20 A 8 LEU HD2% A 9 GLY H 1.0 . 4.66 21 21 A 8 LEU H A 8 LEU HD2% 1.0 . 5.18 22 22 A 8 LEU H A 8 LEU HD1% 1.0 . 5.50 23 23 A 19 VAL H A 19 VAL HB 1.0 . 3.46 24 24 A 10 ILE H A 10 ILE HB 1.0 . 3.46 25 25 A 10 ILE HB A 11 PHE H 1.0 . 3.70 26 26 A 21 LYS H A 21 LYS HB2 1.0 . 3.76 27 27 A 21 LYS H A 21 LYS HB3 1.0 . 3.76 28 28 A 28 LYS H A 28 LYS HB2 1.0 . 4.15 29 29 A 28 LYS H A 28 LYS HB3 1.0 . 4.15 30 30 A 23 ILE H A 23 ILE HB 1.0 . 3.30 31 31 A 23 ILE HB A 24 ASN H 1.0 . 3.59 32 32 A 7 THR H A 6 ILE HB 1.0 . 3.23 33 33 A 6 ILE H A 6 ILE HB 1.0 . 3.29 34 34 A 8 LEU H A 8 LEU HB2 1.0 . 3.93 35 35 A 10 ILE H A 10 ILE HG12 1.0 . 4.04 36 36 A 28 LYS H A 28 LYS HG3 1.0 . 4.39 37 37 A 22 ALA H A 22 ALA HB% 1.0 . 3.45 38 38 A 22 ALA H A 22 ALA HB% 1.0 . 3.81 39 39 A 6 ILE H A 5 ALA HB% 1.0 . 4.69 40 40 A 6 ILE H A 5 ALA HB% 1.0 . 5.16 41 41 A 6 ILE H A 5 ALA HB% 1.0 . 5.37 42 42 A 16 GLY H A 19 VAL HB 1.0 . 3.95 43 43 A 28 LYS H A 28 LYS HG2 1.0 . 4.39 44 44 A 3 ILE H A 4 LEU HB3 1.0 . 5.50 45 45 A 3 ILE HB A 5 ALA H 1.0 . 5.50 46 46 A 3 ILE H A 3 ILE HB 1.0 . 3.59 47 47 A 9 GLY H A 8 LEU HB3 1.0 . 4.22 48 48 A 13 THR H A 12 ALA HB% 1.0 . 4.84 49 49 A 23 ILE H A 22 ALA HB% 1.0 . 3.89 50 50 A 23 ILE H A 23 ILE HG12 1.0 . 4.08 51 51 A 3 ILE H A 4 LEU HB2 1.0 . 5.50 52 52 A 19 VAL HB A 20 GLN H 1.0 . 3.56 53 53 A 20 GLN H A 20 GLN HG3 1.0 . 4.41 54 54 A 26 ARG H A 25 ASP HB2 1.0 . 4.74 55 55 A 26 ARG H A 25 ASP HB3 1.0 . 4.74 56 56 A 24 ASN H A 24 ASN HB3 1.0 . 3.71 57 57 A 25 ASP H A 25 ASP HB3 1.0 . 3.67 58 58 A 25 ASP H A 25 ASP HB2 1.0 . 3.67 59 59 A 24 ASN HB3 A 25 ASP H 1.0 . 4.03 60 60 A 11 PHE H A 11 PHE HB2 1.0 . 3.87 61 61 A 11 PHE H A 11 PHE HB3 1.0 . 3.87 62 62 A 28 LYS H A 28 LYS HE2 1.0 . 5.50 63 63 A 28 LYS H A 28 LYS HE3 1.0 . 5.50 64 64 A 12 ALA H A 11 PHE HB2 1.0 . 4.58 65 65 A 12 ALA H A 11 PHE HB3 1.0 . 4.58 66 66 A 12 ALA H A 12 ALA HB% 1.0 . 3.97 67 67 A 2 ALA H A 2 ALA HB% 1.0 . 4.15 68 68 A 3 ILE H A 6 ILE HD1% 1.0 . 5.50 69 69 A 3 ILE H A 6 ILE HD1% 1.0 . 5.50 70 70 A 3 ILE H A 6 ILE HD1% 1.0 . 5.50 71 71 A 16 GLY H A 20 GLN HG3 1.0 . 5.50 72 72 A 21 LYS H A 20 GLN HG3 1.0 . 5.50 73 73 A 16 GLY H A 20 GLN HG2 1.0 . 5.50 74 74 A 21 LYS H A 20 GLN HG2 1.0 . 5.50 75 75 A 5 ALA H A 2 ALA HA 1.0 . 4.50 76 76 A 17 MET HA A 20 GLN HE21 1.0 . 4.06 77 77 A 10 ILE H A 9 GLY HA3 1.0 . 2.93 78 78 A 21 LYS H A 18 GLY HA2 1.0 . 3.38 79 79 A 9 GLY H A 6 ILE HA 1.0 . 3.95 80 80 A 7 THR H A 3 ILE HA 1.0 . 4.51 81 81 A 24 ASN H A 21 LYS HA 1.0 . 3.76 82 82 A 8 LEU H A 5 ALA HA 1.0 . 4.36 83 83 A 8 LEU H A 7 THR HB 1.0 . 4.04 84 84 A 14 GLY H A 11 PHE HA 1.0 . 3.65 85 85 A 13 THR H A 13 THR HB 1.0 . 3.45 86 86 A 28 LYS H A 27 ARG HA 1.0 . 3.19 87 87 A 7 THR H A 7 THR HB 1.0 . 3.08 88 88 A 7 THR H A 4 LEU HA 1.0 . 4.14 89 89 A 21 LYS H A 17 MET HA 1.0 . 5.16 90 90 A 16 GLY H A 13 THR HA 1.0 . 3.97 91 91 A 25 ASP H A 22 ALA HA 1.0 . 4.19 92 92 A 6 ILE H A 3 ILE HA 1.0 . 4.00 93 93 A 23 ILE H A 21 LYS HA 1.0 . 4.04 94 94 A 20 GLN H A 15 TYR HA 1.0 . 4.88 95 95 A 8 LEU H A 6 ILE HA 1.0 . 5.50 96 96 A 11 PHE H A 12 ALA H 1.0 . 3.81 97 97 A 3 ILE H A 2 ALA H 1.0 . 4.35 98 98 A 26 ARG H A 25 ASP H 1.0 . 3.68 99 99 A 23 ILE H A 22 ALA H 1.0 . 3.64 100 100 A 19 VAL H A 18 GLY H 1.0 . 4.26 101 101 A 24 ASN H A 22 ALA H 1.0 . 4.75 102 102 A 24 ASN H A 25 ASP H 1.0 . 3.58 103 103 A 23 ILE H A 24 ASN H 1.0 . 3.89 104 104 A 21 LYS H A 22 ALA H 1.0 . 3.21 105 105 A 6 ILE H A 7 THR H 1.0 . 3.39 106 106 A 14 GLY H A 13 THR H 1.0 . 3.44 107 107 A 10 ILE H A 9 GLY H 1.0 . 3.59 108 108 A 8 LEU H A 9 GLY H 1.0 . 3.56 109 109 A 8 LEU H A 7 THR H 1.0 . 3.77 110 110 A 19 VAL H A 21 LYS H 1.0 . 3.73 111 111 A 6 ILE H A 5 ALA H 1.0 . 3.91 112 112 A 4 LEU H A 5 ALA H 1.0 . 4.08 113 113 A 13 THR H A 12 ALA H 1.0 . 4.04 114 114 A 7 THR HA A 7 THR HG2% 1.0 . 4.15 115 115 A 4 LEU HA A 4 LEU HG 1.0 . 3.64 116 116 A 3 ILE HG2% A 3 ILE HA 1.0 . 3.72 117 117 A 6 ILE HD1% A 3 ILE HA 1.0 . 4.80 118 118 A 6 ILE HD1% A 3 ILE HA 1.0 . 5.36 119 119 A 6 ILE HD1% A 3 ILE HA 1.0 . 5.47 120 120 A 23 ILE HA A 23 ILE HG2% 1.0 . 3.73 121 121 A 23 ILE HA A 23 ILE HG2% 1.0 . 4.01 122 122 A 19 VAL HA A 19 VAL HG1% 1.0 . 3.78 123 123 A 6 ILE HB A 3 ILE HA 1.0 . 3.79 124 124 A 10 ILE HB A 7 THR HA 1.0 . 4.59 125 125 A 12 ALA HB% A 9 GLY HA2 1.0 . 5.34 126 126 A 12 ALA HB% A 9 GLY HA2 1.0 . 5.42 127 127 A 12 ALA HB% A 9 GLY HA2 1.0 . 5.27 128 128 A 23 ILE HB A 20 GLN HA 1.0 . 4.95 129 129 A 19 VAL HB A 15 TYR HA 1.0 . 3.99 130 130 A 24 ASN HB2 A 28 LYS HA 1.0 . 4.16 131 131 A 21 LYS HA A 24 ASN HB2 1.0 . 4.44 132 132 A 24 ASN HB3 A 21 LYS HA 1.0 . 4.79 133 133 A 22 ALA HA A 25 ASP HB2 1.0 . 3.90 134 134 A 22 ALA HA A 25 ASP HB3 1.0 . 3.90 135 135 A 27 ARG HA A 27 ARG HD2 1.0 . 5.27 136 136 A 27 ARG HA A 27 ARG HD3 1.0 . 5.27 137 137 A 8 LEU HA A 11 PHE HB2 1.0 . 4.75 138 138 A 8 LEU HA A 11 PHE HB3 1.0 . 4.75 139 139 A 26 ARG HA A 26 ARG HD2 1.0 . 5.50 140 140 A 26 ARG HA A 26 ARG HD3 1.0 . 5.50 141 141 A 22 ALA HB% A 19 VAL HA 1.0 . 5.14 142 142 A 22 ALA HB% A 19 VAL HA 1.0 . 5.50 143 143 A 6 ILE HA A 10 ILE HG12 1.0 . 4.81 144 144 A 15 TYR HA A 20 GLN HB3 1.0 . 5.01 145 145 A 13 THR HG2% A 13 THR HA 1.0 . 4.04 146 146 A 13 THR HG2% A 13 THR HA 1.0 . 4.12 147 147 A 5 ALA HA A 8 LEU HB3 1.0 . 3.86 148 148 A 8 LEU HA A 8 LEU HG 1.0 . 3.90 149 149 A 3 ILE HG2% A 4 LEU HA 1.0 . 3.97 150 150 A 3 ILE HG2% A 7 THR HA 1.0 . 5.09 151 151 A 3 ILE HG2% A 7 THR HA 1.0 . 5.50 152 152 A 6 ILE HA A 10 ILE HG13 1.0 . 4.81 153 153 A 5 ALA HA A 8 LEU HB2 1.0 . 3.86 154 154 A 6 ILE H A 3 ILE HG2% 1.0 . 4.85 155 155 A 6 ILE H A 3 ILE HG2% 1.0 . 5.22 156 156 A 19 VAL HG2% A 18 GLY H 1.0 . 4.19 157 157 A 21 LYS H A 22 ALA HB% 1.0 . 4.71 158 158 A 21 LYS H A 22 ALA HB% 1.0 . 5.14 159 159 A 5 ALA H A 4 LEU HB2 1.0 . 4.25 160 160 A 4 LEU H A 3 ILE HB 1.0 . 4.54 161 161 A 20 GLN HB3 A 15 TYR H 1.0 . 4.76 162 162 A 7 THR H A 10 ILE HB 1.0 . 5.50 163 163 A 28 LYS H A 28 LYS HD2 1.0 . 4.59 164 164 A 28 LYS H A 28 LYS HD3 1.0 . 4.59 165 165 A 8 LEU H A 4 LEU HA 1.0 . 4.73 166 166 A 10 ILE H A 6 ILE HA 1.0 . 3.87 167 167 A 3 ILE H A 3 ILE HG12 1.0 . 4.25 168 168 A 9 GLY H A 8 LEU HB2 1.0 . 4.22 169 169 A 14 GLY H A 12 ALA HB% 1.0 . 5.50 170 170 A 14 GLY H A 12 ALA HB% 1.0 . 5.50 171 171 A 14 GLY H A 12 ALA HB% 1.0 . 5.50 172 172 A 3 ILE H A 1 SER HA 1.0 . 5.50 173 173 A 4 LEU H A 1 SER HA 1.0 . 5.50 174 174 A 24 ASN H A 25 ASP HA 1.0 . 5.36 175 175 A 23 ILE H A 24 ASN HA 1.0 . 5.17 176 176 A 21 LYS H A 19 VAL HA 1.0 . 4.95 177 177 A 25 ASP H A 21 LYS HA 1.0 . 4.18 178 178 A 18 GLY H A 19 VAL HA 1.0 . 4.93 179 179 A 20 GLN HE21 A 17 MET H 1.0 . 5.41 180 180 A 6 ILE H A 4 LEU H 1.0 . 5.09 181 181 A 7 THR H A 6 ILE HD1% 1.0 . 5.50 182 182 A 7 THR H A 6 ILE HD1% 1.0 . 5.50 183 183 A 7 THR H A 6 ILE HD1% 1.0 . 5.50 184 184 A 16 GLY H A 19 VAL HG2% 1.0 . 5.50 185 185 A 8 LEU H A 8 LEU HG 1.0 . 4.54 186 186 A 11 PHE H A 7 THR HG2% 1.0 . 5.50 187 187 A 4 LEU H A 5 ALA HB% 1.0 . 5.50 188 188 A 4 LEU H A 5 ALA HB% 1.0 . 5.50 189 189 A 8 LEU HG A 11 PHE HB2 1.0 . 5.50 190 190 A 8 LEU HG A 11 PHE HB3 1.0 . 5.50 191 191 A 11 PHE HA A 10 ILE HG2% 1.0 . 5.39 192 192 A 11 PHE HA A 10 ILE HG2% 1.0 . 5.33 193 193 A 24 ASN HA A 23 ILE HG2% 1.0 . 5.50 194 194 A 24 ASN HA A 23 ILE HG2% 1.0 . 5.50 195 195 A 15 TYR H A 12 ALA HA 1.0 . 4.49 196 196 A 3 ILE H A 3 ILE HG13 1.0 . 4.25 197 197 A 4 LEU H A 4 LEU HG 1.0 . 4.96 198 198 A 4 LEU H A 4 LEU HB2 1.0 . 3.30 199 199 A 4 LEU H A 4 LEU HB3 1.0 . 3.30 200 200 A 5 ALA HB% A 5 ALA H 1.0 . 3.78 201 201 A 5 ALA HB% A 5 ALA H 1.0 . 4.18 202 202 A 7 THR H A 7 THR HG2% 1.0 . 4.83 203 203 A 8 LEU H A 8 LEU HB3 1.0 . 3.93 204 204 A 13 THR HG2% A 13 THR H 1.0 . 5.11 205 205 A 13 THR HG2% A 13 THR H 1.0 . 5.50 206 206 A 13 THR HG2% A 13 THR H 1.0 . 5.50 207 207 A 20 GLN H A 20 GLN HG2 1.0 . 4.41 208 208 A 20 GLN H A 20 GLN HB3 1.0 . 3.75 209 209 A 23 ILE H A 23 ILE HG2% 1.0 . 5.41 210 210 A 23 ILE H A 23 ILE HG2% 1.0 . 5.50 211 211 A 23 ILE H A 23 ILE HG2% 1.0 . 5.50 212 212 A 23 ILE H A 23 ILE HD1% 1.0 . 5.06 213 213 A 23 ILE H A 23 ILE HD1% 1.0 . 5.50 214 214 A 23 ILE H A 23 ILE HD1% 1.0 . 5.50 215 215 A 24 ASN H A 24 ASN HB2 1.0 . 3.44 216 216 A 25 ASP H A 24 ASN HB2 1.0 . 3.36 217 217 A 26 ARG H A 26 ARG HD2 1.0 . 5.50 218 218 A 26 ARG H A 26 ARG HD3 1.0 . 5.50 219 219 A 27 ARG H A 27 ARG HB2 1.0 . 4.09 220 220 A 27 ARG H A 27 ARG HB3 1.0 . 4.09 221 221 A 27 ARG H A 27 ARG HG2 1.0 . 5.50 222 222 A 27 ARG H A 27 ARG HG3 1.0 . 5.50 223 223 A 2 ALA H A 1 SER HA 1.0 . 3.56 224 224 A 3 ILE H A 5 ALA H 1.0 . 5.50 225 225 A 5 ALA H A 4 LEU HB3 1.0 . 4.25 226 226 A 3 ILE HG2% A 5 ALA H 1.0 . 5.50 227 227 A 5 ALA H A 4 LEU HG 1.0 . 5.50 228 228 A 6 ILE H A 7 THR HB 1.0 . 5.07 229 229 A 8 LEU H A 11 PHE HB2 1.0 . 5.50 230 230 A 8 LEU H A 11 PHE HB3 1.0 . 5.50 231 231 A 8 LEU H A 7 THR HG2% 1.0 . 5.33 232 232 A 8 LEU H A 7 THR HG2% 1.0 . 5.46 233 233 A 9 GLY H A 12 ALA H 1.0 . 5.50 234 234 A 9 GLY H A 7 THR HG2% 1.0 . 5.50 235 235 A 9 GLY H A 8 LEU HG 1.0 . 5.50 236 236 A 10 ILE H A 12 ALA H 1.0 . 5.50 237 237 A 10 ILE H A 11 PHE HB2 1.0 . 5.50 238 238 A 10 ILE H A 11 PHE HB3 1.0 . 5.50 239 239 A 11 PHE H A 8 LEU HA 1.0 . 4.21 240 240 A 11 PHE H A 7 THR HA 1.0 . 4.92 241 241 A 11 PHE H A 12 ALA HB% 1.0 . 5.50 242 242 A 11 PHE H A 12 ALA HB% 1.0 . 5.50 243 243 A 11 PHE H A 12 ALA HB% 1.0 . 5.50 244 244 A 11 PHE H A 10 ILE HG2% 1.0 . 4.95 245 245 A 11 PHE H A 10 ILE HG2% 1.0 . 4.92 246 246 A 12 ALA H A 9 GLY HA2 1.0 . 5.35 247 247 A 12 ALA H A 8 LEU HG 1.0 . 5.50 248 248 A 8 LEU HD2% A 12 ALA H 1.0 . 5.50 249 249 A 13 THR H A 10 ILE HA 1.0 . 4.54 250 250 A 13 THR H A 12 ALA HB% 1.0 . 4.77 251 251 A 13 THR H A 12 ALA HB% 1.0 . 5.45 252 252 A 14 GLY H A 13 THR HB 1.0 . 4.75 253 253 A 14 GLY H A 10 ILE HG2% 1.0 . 5.50 254 254 A 20 GLN HE21 A 18 GLY H 1.0 . 5.50 255 255 A 19 VAL HB A 18 GLY H 1.0 . 5.50 256 256 A 20 GLN H A 19 VAL HG1% 1.0 . 4.85 257 257 A 19 VAL HG2% A 20 GLN H 1.0 . 4.65 258 258 A 21 LYS H A 24 ASN HB2 1.0 . 5.50 259 259 A 21 LYS H A 20 GLN HB2 1.0 . 4.40 260 260 A 21 LYS H A 20 GLN HB3 1.0 . 4.81 261 261 A 22 ALA H A 19 VAL HA 1.0 . 4.44 262 262 A 22 ALA H A 24 ASN HB2 1.0 . 5.50 263 263 A 22 ALA H A 19 VAL HG1% 1.0 . 5.50 264 264 A 22 ALA H A 19 VAL HG1% 1.0 . 5.50 265 265 A 23 ILE H A 20 GLN HA 1.0 . 4.75 266 266 A 23 ILE H A 24 ASN HB2 1.0 . 5.50 267 267 A 24 ASN H A 22 ALA HB% 1.0 . 5.50 268 268 A 24 ASN H A 22 ALA HB% 1.0 . 5.50 269 269 A 24 ASN H A 22 ALA HB% 1.0 . 5.50 270 270 A 24 ASN H A 23 ILE HG2% 1.0 . 5.43 271 271 A 24 ASN H A 23 ILE HG2% 1.0 . 5.50 272 272 A 25 ASP H A 21 LYS HG2 1.0 . 5.50 273 273 A 25 ASP H A 21 LYS HG3 1.0 . 5.50 274 274 A 26 ARG H A 23 ILE HA 1.0 . 5.25 275 275 A 28 LYS H A 24 ASN HB3 1.0 . 5.50 276 276 A 28 LYS H A 24 ASN HB2 1.0 . 5.50 277 277 A 28 LYS H A 25 ASP HA 1.0 . 5.23 278 278 A 28 LYS H A 25 ASP H 1.0 . 5.50 279 279 A 2 ALA H A 1 SER HB2 1.0 . 4.11 280 279 A 2 ALA H A 1 SER HB3 1.0 . 4.11 281 280 A 3 ILE H A 1 SER HB2 1.0 . 4.11 282 280 A 3 ILE H A 1 SER HB3 1.0 . 4.11 283 281 A 4 LEU H A 1 SER HB2 1.0 . 4.12 284 281 A 4 LEU H A 1 SER HB3 1.0 . 4.12 285 282 A 3 ILE H A 3 ILE HG13 1.0 . 3.73 286 282 A 3 ILE H A 3 ILE HG12 1.0 . 3.73 287 283 A 3 ILE H A 4 LEU HB2 1.0 . 4.68 288 283 A 3 ILE H A 4 LEU HB3 1.0 . 4.68 289 284 A 3 ILE H A 6 ILE HG12 1.0 . 5.34 290 284 A 3 ILE H A 6 ILE HG13 1.0 . 5.34 291 285 A 4 LEU H A 3 ILE HG13 1.0 . 5.34 292 285 A 4 LEU H A 3 ILE HG12 1.0 . 5.34 293 286 A 7 THR H A 3 ILE HG13 1.0 . 5.34 294 286 A 7 THR H A 3 ILE HG12 1.0 . 5.34 295 287 A 5 ALA H A 4 LEU HB2 1.0 . 3.48 296 287 A 5 ALA H A 4 LEU HB3 1.0 . 3.48 297 288 A 5 ALA H A 8 LEU HB2 1.0 . 5.34 298 288 A 5 ALA H A 8 LEU HB3 1.0 . 5.34 299 289 A 6 ILE H A 6 ILE HG12 1.0 . 3.35 300 289 A 6 ILE H A 6 ILE HG13 1.0 . 3.35 301 290 A 6 ILE HA A 10 ILE HG13 1.0 . 4.04 302 290 A 6 ILE HA A 10 ILE HG12 1.0 . 4.04 303 291 A 8 LEU H A 8 LEU HB2 1.0 . 3.15 304 291 A 8 LEU H A 8 LEU HB3 1.0 . 3.15 305 292 A 8 LEU HA A 11 PHE HB3 1.0 . 4.07 306 292 A 8 LEU HA A 11 PHE HB2 1.0 . 4.07 307 293 A 9 GLY H A 8 LEU HB2 1.0 . 3.55 308 293 A 9 GLY H A 8 LEU HB3 1.0 . 3.55 309 294 A 10 ILE H A 10 ILE HG13 1.0 . 3.19 310 294 A 10 ILE H A 10 ILE HG12 1.0 . 3.19 311 295 A 11 PHE H A 10 ILE HG13 1.0 . 5.34 312 295 A 11 PHE H A 10 ILE HG12 1.0 . 5.34 313 296 A 11 PHE H A 11 PHE HB3 1.0 . 3.21 314 296 A 11 PHE H A 11 PHE HB2 1.0 . 3.21 315 297 A 12 ALA H A 11 PHE HB3 1.0 . 3.98 316 297 A 12 ALA H A 11 PHE HB2 1.0 . 3.98 317 298 A 15 TYR H A 15 TYR HB2 1.0 . 3.30 318 298 A 15 TYR H A 15 TYR HB3 1.0 . 3.30 319 299 A 16 GLY H A 15 TYR HB2 1.0 . 3.42 320 299 A 16 GLY H A 15 TYR HB3 1.0 . 3.42 321 300 A 19 VAL H A 15 TYR HB2 1.0 . 4.96 322 300 A 19 VAL H A 15 TYR HB3 1.0 . 4.96 323 301 A 20 GLN H A 15 TYR HB2 1.0 . 3.33 324 301 A 20 GLN H A 15 TYR HB3 1.0 . 3.33 325 302 A 20 GLN HA A 15 TYR HB2 1.0 . 3.79 326 302 A 20 GLN HA A 15 TYR HB3 1.0 . 3.79 327 303 A 15 TYR HB3 A 20 GLN HG2 1.0 . 3.12 328 303 A 20 GLN HG3 A 15 TYR HB2 1.0 . 3.12 329 303 A 15 TYR HB3 A 20 GLN HG3 1.0 . 3.12 330 303 A 15 TYR HB2 A 20 GLN HG2 1.0 . 3.12 331 304 A 19 VAL HG2% A 16 GLY HA2 1.0 . 4.26 332 304 A 19 VAL HG2% A 16 GLY HA3 1.0 . 4.26 333 305 A 17 MET HA A 21 LYS HE2 1.0 . 4.88 334 305 A 17 MET HA A 21 LYS HE3 1.0 . 4.88 335 306 A 18 GLY H A 21 LYS HE2 1.0 . 4.29 336 306 A 18 GLY H A 21 LYS HE3 1.0 . 4.29 337 307 A 18 GLY HA2 A 21 LYS HD2 1.0 . 5.13 338 307 A 18 GLY HA2 A 21 LYS HD3 1.0 . 5.13 339 308 A 20 GLN HE21 A 21 LYS HE2 1.0 . 4.25 340 308 A 20 GLN HE21 A 21 LYS HE3 1.0 . 4.25 341 309 A 21 LYS H A 21 LYS HB3 1.0 . 3.21 342 309 A 21 LYS H A 21 LYS HB2 1.0 . 3.21 343 310 A 22 ALA H A 21 LYS HB3 1.0 . 3.82 344 310 A 22 ALA H A 21 LYS HB2 1.0 . 3.82 345 311 A 25 ASP H A 21 LYS HB3 1.0 . 5.34 346 311 A 25 ASP H A 21 LYS HB2 1.0 . 5.34 347 312 A 22 ALA H A 23 ILE HG13 1.0 . 4.22 348 312 A 22 ALA H A 23 ILE HG12 1.0 . 4.22 349 313 A 22 ALA HA A 25 ASP HB3 1.0 . 3.32 350 313 A 22 ALA HA A 25 ASP HB2 1.0 . 3.32 351 314 A 23 ILE H A 23 ILE HG13 1.0 . 3.26 352 314 A 23 ILE H A 23 ILE HG12 1.0 . 3.26 353 315 A 23 ILE H A 25 ASP HB3 1.0 . 5.34 354 315 A 23 ILE H A 25 ASP HB2 1.0 . 5.34 355 316 A 23 ILE HA A 26 ARG HB2 1.0 . 4.35 356 316 A 23 ILE HA A 26 ARG HB3 1.0 . 4.35 357 317 A 23 ILE HG2% A 24 ASN HD21 1.0 . 4.77 358 317 A 23 ILE HG2% A 24 ASN HD22 1.0 . 4.77 359 318 A 23 ILE HG2% A 24 ASN HD22 1.0 . 5.34 360 318 A 23 ILE HG2% A 24 ASN HD21 1.0 . 5.34 361 319 A 24 ASN H A 23 ILE HG13 1.0 . 5.34 362 319 A 24 ASN H A 23 ILE HG12 1.0 . 5.34 363 320 A 24 ASN H A 24 ASN HD21 1.0 . 5.04 364 320 A 24 ASN H A 24 ASN HD22 1.0 . 5.04 365 321 A 24 ASN H A 25 ASP HB3 1.0 . 4.57 366 321 A 24 ASN H A 25 ASP HB2 1.0 . 4.57 367 322 A 25 ASP H A 25 ASP HB3 1.0 . 3.02 368 322 A 25 ASP H A 25 ASP HB2 1.0 . 3.02 369 323 A 25 ASP H A 26 ARG HB2 1.0 . 5.34 370 323 A 25 ASP H A 26 ARG HB3 1.0 . 5.34 371 324 A 26 ARG H A 26 ARG HB2 1.0 . 3.16 372 324 A 26 ARG H A 26 ARG HB3 1.0 . 3.16 373 325 A 26 ARG H A 26 ARG HG2 1.0 . 3.21 374 325 A 26 ARG H A 26 ARG HG3 1.0 . 3.21 375 326 A 27 ARG H A 27 ARG HB3 1.0 . 3.38 376 326 A 27 ARG H A 27 ARG HB2 1.0 . 3.38 377 327 A 27 ARG H A 27 ARG HG3 1.0 . 4.75 378 327 A 27 ARG H A 27 ARG HG2 1.0 . 4.75 379 328 A 27 ARG HA A 27 ARG HD3 1.0 . 4.62 380 328 A 27 ARG HA A 27 ARG HD2 1.0 . 4.62 381 329 A 28 LYS H A 28 LYS HB3 1.0 . 3.59 382 329 A 28 LYS H A 28 LYS HB2 1.0 . 3.59 383 330 A 28 LYS H A 28 LYS HG3 1.0 . 3.79 384 330 A 28 LYS H A 28 LYS HG2 1.0 . 3.79 385 331 A 28 LYS H A 28 LYS HD3 1.0 . 3.91 386 331 A 28 LYS H A 28 LYS HD2 1.0 . 3.91 387 332 A 29 LYS H A 29 LYS HB2 1.0 . 3.57 388 332 A 29 LYS H A 29 LYS HB3 1.0 . 3.57 389 333 A 29 LYS H A 29 LYS HG2 1.0 . 4.52 390 333 A 29 LYS H A 29 LYS HG3 1.0 . 4.52 stop_ save_