data_nef_c19275_2m8v save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 21 CYS SG 1 29 CYS SG 1 7 LYS C 1 8 DBB N 1 8 DBB C 1 9 LEU N 1 8 DBB CB 1 13 CYS SG 1 9 LEU C 1 10 DBB N 1 10 DBB C 1 11 LYS N 1 10 DBB CB 1 32 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ALA start . . 2 A 2 ASP middle . . 3 A 3 ARG middle . . 4 A 4 GLY middle . false 5 A 5 TRP middle . . 6 A 6 ILE middle . . 7 A 7 LYS middle . . 8 A 8 DBB middle . . 9 A 9 LEU middle . . 10 A 10 DBB middle . . 11 A 11 LYS middle . . 12 A 12 ASP middle . . 13 A 13 CYS middle -HG . 14 A 14 PRO middle . false 15 A 15 ASN middle . . 16 A 16 VAL middle . . 17 A 17 ILE middle . . 18 A 18 SER middle . . 19 A 19 SER middle . . 20 A 20 ILE middle . . 21 A 21 CYS middle -HG . 22 A 22 ALA middle . . 23 A 23 GLY middle . false 24 A 24 THR middle . . 25 A 25 ILE middle . . 26 A 26 ILE middle . . 27 A 27 THR middle . . 28 A 28 ALA middle . . 29 A 29 CYS middle -HG . 30 A 30 LYS middle . . 31 A 31 ASN middle . . 32 A 32 CYS middle -HG . 33 A 33 ALA end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ALA HA H 1 4.0600 0.02 A 1 ALA HB% H 1 1.4840 0.02 A 1 ALA CA C 13 51.5700 0.3 A 1 ALA CB C 13 19.1900 0.3 A 2 ASP H H 1 8.6560 0.02 A 2 ASP HA H 1 4.6530 0.02 A 2 ASP HBy H 1 2.7100 0.02 A 2 ASP HBx H 1 2.5970 0.02 A 2 ASP CA C 13 54.2780 0.3 A 2 ASP CB C 13 41.6370 0.3 A 3 ARG H H 1 8.5400 0.02 A 3 ARG HA H 1 4.2460 0.02 A 3 ARG HBx H 1 1.7000 0.02 A 3 ARG HBy H 1 1.7830 0.02 A 3 ARG HDx H 1 3.1520 0.02 A 3 ARG HDy H 1 3.1520 0.02 A 3 ARG HGx H 1 1.5970 0.02 A 3 ARG HGy H 1 1.5970 0.02 A 3 ARG CA C 13 56.3000 0.3 A 3 ARG CB C 13 30.4870 0.3 A 3 ARG CD C 13 43.3000 0.3 A 3 ARG CG C 13 26.9880 0.3 A 4 GLY H H 1 8.5040 0.02 A 4 GLY HAx H 1 3.9080 0.02 A 4 GLY HAy H 1 3.9080 0.02 A 4 GLY CA C 13 45.3730 0.3 A 5 TRP H H 1 7.9430 0.02 A 5 TRP HA H 1 4.6570 0.02 A 5 TRP HBy H 1 3.2800 0.02 A 5 TRP HBx H 1 3.2460 0.02 A 5 TRP HD1 H 1 7.2340 0.02 A 5 TRP HE1 H 1 10.2030 0.02 A 5 TRP HE3 H 1 7.6080 0.02 A 5 TRP HH2 H 1 7.2360 0.02 A 5 TRP HZ2 H 1 7.5150 0.02 A 5 TRP HZ3 H 1 7.1510 0.02 A 5 TRP CA C 13 57.2000 0.3 A 5 TRP CB C 13 29.6180 0.3 A 5 TRP CD1 C 13 127.0200 0.3 A 5 TRP CE3 C 13 121.0200 0.3 A 5 TRP CH2 C 13 124.6900 0.3 A 5 TRP CZ2 C 13 114.5800 0.3 A 5 TRP CZ3 C 13 122.1200 0.3 A 6 ILE H H 1 7.9960 0.02 A 6 ILE HA H 1 4.0090 0.02 A 6 ILE HB H 1 1.6980 0.02 A 6 ILE HD1% H 1 0.7860 0.02 A 6 ILE HG1y H 1 1.3410 0.02 A 6 ILE HG1x H 1 0.9990 0.02 A 6 ILE HG2% H 1 0.8090 0.02 A 6 ILE CA C 13 60.5680 0.3 A 6 ILE CB C 13 39.2790 0.3 A 6 ILE CD1 C 13 12.8350 0.3 A 6 ILE CG1 C 13 26.9600 0.3 A 6 ILE CG2 C 13 17.4700 0.3 A 7 LYS H H 1 8.2160 0.02 A 7 LYS HA H 1 4.3010 0.02 A 7 LYS HBx H 1 1.7470 0.02 A 7 LYS HBy H 1 1.7470 0.02 A 7 LYS HDx H 1 1.6630 0.02 A 7 LYS HDy H 1 1.6850 0.02 A 7 LYS HEx H 1 2.9670 0.02 A 7 LYS HEy H 1 2.9670 0.02 A 7 LYS HGx H 1 1.3910 0.02 A 7 LYS HGy H 1 1.4690 0.02 A 7 LYS CA C 13 56.6170 0.3 A 7 LYS CB C 13 33.1190 0.3 A 7 LYS CD C 13 29.0750 0.3 A 7 LYS CE C 13 41.8100 0.3 A 7 LYS CG C 13 24.9550 0.3 A 8 DBB H H 1 8.5580 0.02 A 8 DBB HA H 1 4.5580 0.02 A 8 DBB HB3 H 1 3.6890 0.02 A 8 DBB HG2 H 1 1.3180 0.02 A 8 DBB CA C 13 61.5570 0.3 A 8 DBB CB C 13 45.6500 0.3 A 8 DBB CG C 13 22.2600 0.3 A 9 LEU H H 1 8.0430 0.02 A 9 LEU HA H 1 4.7210 0.02 A 9 LEU HBx H 1 1.5230 0.02 A 9 LEU HBy H 1 1.6580 0.02 A 9 LEU HDx% H 1 0.8830 0.02 A 9 LEU HDy% H 1 0.8540 0.02 A 9 LEU HG H 1 1.4800 0.02 A 9 LEU CA C 13 54.3100 0.3 A 9 LEU CB C 13 44.0000 0.3 A 9 LEU CDy C 13 24.9500 0.3 A 9 LEU CDx C 13 24.4200 0.3 A 9 LEU CG C 13 27.3500 0.3 A 10 DBB H H 1 8.3940 0.02 A 10 DBB HA H 1 4.4930 0.02 A 10 DBB HB3 H 1 3.2700 0.02 A 10 DBB HG2 H 1 1.2600 0.02 A 10 DBB CA C 13 59.7100 0.3 A 10 DBB CB C 13 44.1600 0.3 A 10 DBB CG C 13 20.9400 0.3 A 11 LYS H H 1 8.7320 0.02 A 11 LYS HA H 1 4.0100 0.02 A 11 LYS HBx H 1 1.7670 0.02 A 11 LYS HBy H 1 1.7670 0.02 A 11 LYS HDx H 1 1.6700 0.02 A 11 LYS HDy H 1 1.6700 0.02 A 11 LYS HEx H 1 2.9680 0.02 A 11 LYS HEy H 1 2.9680 0.02 A 11 LYS HGy H 1 1.4440 0.02 A 11 LYS HGx H 1 1.4400 0.02 A 11 LYS CA C 13 58.0300 0.3 A 11 LYS CB C 13 32.3000 0.3 A 11 LYS CD C 13 28.9600 0.3 A 11 LYS CE C 13 41.9000 0.3 A 11 LYS CG C 13 24.8400 0.3 A 12 ASP H H 1 8.4620 0.02 A 12 ASP HA H 1 4.5200 0.02 A 12 ASP HBx H 1 2.8040 0.02 A 12 ASP HBy H 1 2.8810 0.02 A 12 ASP CA C 13 55.6900 0.3 A 12 ASP CB C 13 38.4000 0.3 A 13 CYS H H 1 7.3790 0.02 A 13 CYS HA H 1 4.8880 0.02 A 13 CYS HBy H 1 2.9820 0.02 A 13 CYS HBx H 1 2.8730 0.02 A 13 CYS CA C 13 54.2100 0.3 A 13 CYS CB C 13 38.0390 0.3 A 14 PRO HA H 1 4.3760 0.02 A 14 PRO HBx H 1 1.9380 0.02 A 14 PRO HBy H 1 2.2300 0.02 A 14 PRO HDy H 1 3.6230 0.02 A 14 PRO HDx H 1 3.5540 0.02 A 14 PRO HGx H 1 1.9650 0.02 A 14 PRO HGy H 1 2.0030 0.02 A 14 PRO CA C 13 64.0550 0.3 A 14 PRO CB C 13 32.1420 0.3 A 14 PRO CD C 13 50.3790 0.3 A 14 PRO CG C 13 27.2380 0.3 A 15 ASN H H 1 8.5740 0.02 A 15 ASN HA H 1 4.6850 0.02 A 15 ASN HBy H 1 2.8720 0.02 A 15 ASN HBx H 1 2.7820 0.02 A 15 ASN HD2x H 1 6.9650 0.02 A 15 ASN HD2y H 1 7.6250 0.02 A 15 ASN CA C 13 53.6450 0.3 A 15 ASN CB C 13 38.6320 0.3 A 16 VAL H H 1 7.7630 0.02 A 16 VAL HA H 1 4.1360 0.02 A 16 VAL HB H 1 2.1570 0.02 A 16 VAL HGx% H 1 0.9510 0.02 A 16 VAL HGy% H 1 0.9510 0.02 A 16 VAL CA C 13 62.6690 0.3 A 16 VAL CB C 13 32.5550 0.3 A 16 VAL CGx C 13 21.1150 0.3 A 16 VAL CGy C 13 21.1150 0.3 A 17 ILE H H 1 8.2100 0.02 A 17 ILE HA H 1 4.1860 0.02 A 17 ILE HB H 1 1.9060 0.02 A 17 ILE HD1% H 1 0.8670 0.02 A 17 ILE HG1y H 1 1.4930 0.02 A 17 ILE HG1x H 1 1.2150 0.02 A 17 ILE HG2% H 1 0.9240 0.02 A 17 ILE CA C 13 61.5800 0.3 A 17 ILE CB C 13 38.4800 0.3 A 17 ILE CD1 C 13 12.9400 0.3 A 17 ILE CG1 C 13 27.3400 0.3 A 17 ILE CG2 C 13 17.6400 0.3 A 18 SER H H 1 8.3180 0.02 A 18 SER HA H 1 4.4860 0.02 A 18 SER HBx H 1 3.8600 0.02 A 18 SER HBy H 1 3.9400 0.02 A 18 SER CA C 13 58.5200 0.3 A 18 SER CB C 13 63.8800 0.3 A 19 SER H H 1 8.3350 0.02 A 19 SER HA H 1 4.4830 0.02 A 19 SER HBy H 1 3.9200 0.02 A 19 SER HBx H 1 3.8870 0.02 A 19 SER CA C 13 59.0800 0.3 A 19 SER CB C 13 63.7100 0.3 A 20 ILE H H 1 8.0020 0.02 A 20 ILE HA H 1 4.2330 0.02 A 20 ILE HB H 1 1.8960 0.02 A 20 ILE HD1% H 1 0.8620 0.02 A 20 ILE HG1x H 1 1.2100 0.02 A 20 ILE HG1y H 1 1.4930 0.02 A 20 ILE HG2% H 1 0.9230 0.02 A 20 ILE CA C 13 61.8900 0.3 A 20 ILE CB C 13 38.5000 0.3 A 20 ILE CD1 C 13 12.9600 0.3 A 20 ILE CG1 C 13 27.3200 0.3 A 20 ILE CG2 C 13 17.6800 0.3 A 21 CYS H H 1 8.2820 0.02 A 21 CYS HA H 1 4.7340 0.02 A 21 CYS HBy H 1 3.2570 0.02 A 21 CYS HBx H 1 2.9960 0.02 A 21 CYS CA C 13 55.2300 0.3 A 21 CYS CB C 13 40.9450 0.3 A 22 ALA H H 1 8.1190 0.02 A 22 ALA HA H 1 4.3910 0.02 A 22 ALA HB% H 1 1.4120 0.02 A 22 ALA CA C 13 52.8990 0.3 A 22 ALA CB C 13 19.3460 0.3 A 23 GLY H H 1 8.4170 0.02 A 23 GLY HAy H 1 4.0840 0.02 A 23 GLY HAx H 1 3.9690 0.02 A 23 GLY CA C 13 45.5400 0.3 A 24 THR H H 1 8.0810 0.02 A 24 THR HA H 1 4.3980 0.02 A 24 THR HB H 1 4.2790 0.02 A 24 THR HG2% H 1 1.2070 0.02 A 24 THR CA C 13 61.7400 0.3 A 24 THR CB C 13 69.9000 0.3 A 24 THR CG2 C 13 21.4400 0.3 A 25 ILE H H 1 8.0730 0.02 A 25 ILE HA H 1 4.2780 0.02 A 25 ILE HB H 1 1.9890 0.02 A 25 ILE HD1% H 1 0.8840 0.02 A 25 ILE HG1x H 1 1.2110 0.02 A 25 ILE HG1y H 1 1.4640 0.02 A 25 ILE HG2% H 1 0.9410 0.02 A 25 ILE CA C 13 61.3860 0.3 A 25 ILE CB C 13 38.4890 0.3 A 25 ILE CD1 C 13 13.1300 0.3 A 25 ILE CG1 C 13 27.4300 0.3 A 25 ILE CG2 C 13 17.8300 0.3 A 26 ILE H H 1 8.1140 0.02 A 26 ILE HA H 1 4.2400 0.02 A 26 ILE HB H 1 1.9930 0.02 A 26 ILE HD1% H 1 0.8800 0.02 A 26 ILE HG1x H 1 1.2280 0.02 A 26 ILE HG1y H 1 1.4510 0.02 A 26 ILE HG2% H 1 0.9390 0.02 A 26 ILE CA C 13 61.5500 0.3 A 26 ILE CB C 13 38.3790 0.3 A 26 ILE CD1 C 13 12.8160 0.3 A 26 ILE CG1 C 13 27.2830 0.3 A 26 ILE CG2 C 13 17.7630 0.3 A 27 THR H H 1 7.8730 0.02 A 27 THR HA H 1 4.1860 0.02 A 27 THR HB H 1 4.2500 0.02 A 27 THR HG2% H 1 1.2350 0.02 A 27 THR CA C 13 62.8500 0.3 A 27 THR CB C 13 69.1600 0.3 A 27 THR CG2 C 13 22.0900 0.3 A 28 ALA H H 1 8.1140 0.02 A 28 ALA HA H 1 4.3640 0.02 A 28 ALA HB% H 1 1.3940 0.02 A 28 ALA CA C 13 52.8280 0.3 A 28 ALA CB C 13 18.9560 0.3 A 29 CYS H H 1 8.0080 0.02 A 29 CYS HA H 1 4.6350 0.02 A 29 CYS HBx H 1 3.1290 0.02 A 29 CYS HBy H 1 3.2010 0.02 A 29 CYS CA C 13 56.2300 0.3 A 29 CYS CB C 13 41.9760 0.3 A 30 LYS H H 1 8.3110 0.02 A 30 LYS HA H 1 4.3710 0.02 A 30 LYS HBx H 1 1.7770 0.02 A 30 LYS HBy H 1 1.8630 0.02 A 30 LYS HDx H 1 1.6700 0.02 A 30 LYS HDy H 1 1.6700 0.02 A 30 LYS HEx H 1 2.9800 0.02 A 30 LYS HEy H 1 2.9800 0.02 A 30 LYS HGx H 1 1.4360 0.02 A 30 LYS HGy H 1 1.4360 0.02 A 30 LYS CA C 13 56.5000 0.3 A 30 LYS CB C 13 32.9700 0.3 A 30 LYS CD C 13 28.9900 0.3 A 30 LYS CE C 13 41.8400 0.3 A 30 LYS CG C 13 24.7790 0.3 A 31 ASN H H 1 8.3510 0.02 A 31 ASN HA H 1 4.7610 0.02 A 31 ASN HBx H 1 2.7460 0.02 A 31 ASN HBy H 1 2.8740 0.02 A 31 ASN HD2x H 1 6.9630 0.02 A 31 ASN HD2y H 1 7.5950 0.02 A 31 ASN CA C 13 53.5830 0.3 A 31 ASN CB C 13 39.1780 0.3 A 32 CYS H H 1 8.2850 0.02 A 32 CYS HA H 1 4.5150 0.02 A 32 CYS HBy H 1 3.0900 0.02 A 32 CYS HBx H 1 2.8940 0.02 A 32 CYS CA C 13 55.6900 0.3 A 32 CYS CB C 13 34.1900 0.3 A 33 ALA H H 1 7.8710 0.02 A 33 ALA HA H 1 4.1300 0.02 A 33 ALA HB% H 1 1.3410 0.02 A 33 ALA CA C 13 53.9000 0.3 A 33 ALA CB C 13 20.3700 0.3 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 30 LYS HEx A 30 LYS HDx 1.0 1.8 3.64 2 1 A 30 LYS HDy A 30 LYS HEy 1.0 1.8 3.64 3 1 A 30 LYS HEy A 30 LYS HDx 1.0 1.8 3.64 4 1 A 30 LYS HEx A 30 LYS HDy 1.0 1.8 3.64 5 2 A 30 LYS HEx A 30 LYS HGy 1.0 1.8 5.40 6 2 A 30 LYS HEx A 30 LYS HGx 1.0 1.8 5.40 7 2 A 30 LYS HEy A 30 LYS HGy 1.0 1.8 5.40 8 2 A 30 LYS HEy A 30 LYS HGx 1.0 1.8 5.40 9 3 A 9 LEU HDy% A 9 LEU HBy 1.0 1.8 2.74 10 3 A 9 LEU HG A 9 LEU HDy% 1.0 1.8 2.74 11 3 A 9 LEU HG A 9 LEU HDx% 1.0 1.8 2.74 12 4 A 14 PRO HDx A 14 PRO HBx 1.0 1.8 3.82 13 4 A 14 PRO HDx A 14 PRO HGx 1.0 1.8 3.82 14 4 A 14 PRO HDx A 14 PRO HGy 1.0 1.8 3.82 15 5 A 25 ILE HG1y A 25 ILE HB 1.0 1.8 3.66 16 5 A 26 ILE HG1y A 26 ILE HB 1.0 1.8 3.66 17 6 A 26 ILE HB A 26 ILE H 1.0 1.8 3.12 18 6 A 25 ILE HB A 26 ILE H 1.0 1.8 3.12 19 7 A 28 ALA H A 27 THR HB 1.0 1.8 2.92 20 7 A 26 ILE H A 25 ILE HA 1.0 1.8 2.92 21 7 A 26 ILE H A 26 ILE HA 1.0 1.8 2.92 22 8 A 24 THR HB A 24 THR H 1.0 1.8 3.16 23 8 A 25 ILE HA A 25 ILE H 1.0 1.8 3.16 24 8 A 25 ILE H A 24 THR HB 1.0 1.8 3.16 25 9 A 30 LYS HDy A 30 LYS H 1.0 1.8 5.50 26 9 A 30 LYS HDx A 30 LYS H 1.0 1.8 5.50 27 10 A 7 LYS H A 7 LYS HBy 1.0 1.8 3.70 28 10 A 7 LYS HBx A 7 LYS H 1.0 1.8 3.70 29 11 A 12 ASP H A 11 LYS HBy 1.0 1.8 5.50 30 11 A 11 LYS HBx A 12 ASP H 1.0 1.8 5.50 31 12 A 30 LYS H A 30 LYS HBy 1.0 1.8 3.80 32 13 A 26 ILE H A 26 ILE HD1% 1.0 1.8 5.50 33 13 A 26 ILE H A 25 ILE HD1% 1.0 1.8 5.50 34 14 A 17 ILE H A 16 VAL HGx% 1.0 1.8 4.60 35 14 A 16 VAL HGy% A 17 ILE H 1.0 1.8 4.60 36 15 A 14 PRO HBx A 14 PRO HDy 1.0 1.8 3.60 37 16 A 20 ILE HB A 20 ILE HA 1.0 1.8 3.20 38 16 A 17 ILE HB A 17 ILE HA 1.0 1.8 3.20 39 17 A 25 ILE HB A 25 ILE HA 1.0 1.8 3.22 40 17 A 26 ILE HB A 26 ILE HA 1.0 1.8 3.22 41 18 A 25 ILE H A 24 THR HG2% 1.0 1.8 3.84 42 18 A 24 THR H A 24 THR HG2% 1.0 1.8 3.84 43 19 A 22 ALA HB% A 22 ALA H 1.0 1.8 3.26 44 19 A 28 ALA H A 28 ALA HB% 1.0 1.8 3.26 45 20 A 26 ILE HG1y A 27 THR H 1.0 1.8 4.72 46 20 A 27 THR HG2% A 27 THR H 1.0 1.8 4.72 47 21 A 6 ILE HG1x A 6 ILE H 1.0 1.8 4.92 48 22 A 28 ALA H A 27 THR HG2% 1.0 1.8 3.96 49 23 A 16 VAL HGy% A 15 ASN H 1.0 1.8 5.36 50 23 A 16 VAL HGx% A 15 ASN H 1.0 1.8 5.36 51 24 A 11 LYS H A 11 LYS HGy 1.0 1.8 5.10 52 24 A 11 LYS H A 11 LYS HGx 1.0 1.8 5.10 53 25 A 30 LYS HGx A 30 LYS H 1.0 1.8 4.26 54 25 A 30 LYS HGy A 30 LYS H 1.0 1.8 4.26 55 26 A 9 LEU HBy A 9 LEU H 1.0 1.8 4.04 56 26 A 9 LEU HG A 9 LEU H 1.0 1.8 4.04 57 27 A 26 ILE H A 25 ILE HG2% 1.0 1.8 3.72 58 27 A 26 ILE H A 26 ILE HG2% 1.0 1.8 3.72 59 28 A 31 ASN HBx A 31 ASN HD2y 1.0 1.8 4.80 60 28 A 15 ASN HBx A 15 ASN HD2y 1.0 1.8 4.80 61 29 A 13 CYS H A 13 CYS HBy 1.0 1.8 3.98 62 29 A 12 ASP HBx A 13 CYS H 1.0 1.8 3.98 63 30 A 15 ASN HBx A 15 ASN HD2x 1.0 1.8 4.16 64 31 A 30 LYS H A 30 LYS HBx 1.0 1.8 4.26 65 32 A 11 LYS H A 11 LYS HDy 1.0 1.8 5.50 66 32 A 11 LYS H A 11 LYS HDx 1.0 1.8 5.50 67 33 A 11 LYS HBy A 11 LYS H 1.0 1.8 4.46 68 33 A 11 LYS HBx A 11 LYS H 1.0 1.8 4.46 69 34 A 26 ILE H A 27 THR H 1.0 1.8 3.86 70 34 A 28 ALA H A 27 THR H 1.0 1.8 3.86 71 35 A 16 VAL HGx% A 16 VAL H 1.0 1.8 3.76 72 35 A 16 VAL HGy% A 16 VAL H 1.0 1.8 3.76 73 36 A 20 ILE HD1% A 20 ILE HG1y 1.0 1.8 3.12 74 36 A 17 ILE HD1% A 17 ILE HG1y 1.0 1.8 3.12 75 37 A 25 ILE HB A 25 ILE HD1% 1.0 1.8 3.88 76 37 A 26 ILE HB A 26 ILE HD1% 1.0 1.8 3.88 77 38 A 17 ILE HG2% A 17 ILE HG1x 1.0 1.8 3.46 78 38 A 20 ILE HG2% A 20 ILE HG1x 1.0 1.8 3.46 79 39 A 30 LYS HGy A 30 LYS HBy 1.0 1.8 3.58 80 39 A 30 LYS HGx A 30 LYS HBy 1.0 1.8 3.58 81 40 A 17 ILE HB A 17 ILE HG1x 1.0 1.8 3.24 82 40 A 20 ILE HB A 20 ILE HG1x 1.0 1.8 3.24 83 41 A 11 LYS HGx A 11 LYS HEy 1.0 1.8 4.86 84 41 A 11 LYS HGy A 11 LYS HEx 1.0 1.8 4.86 85 42 A 9 LEU HDx% A 13 CYS HBy 1.0 1.8 5.38 86 42 A 9 LEU HDy% A 13 CYS HBy 1.0 1.8 5.38 87 43 A 30 LYS HGx A 30 LYS HBx 1.0 1.8 3.54 88 43 A 30 LYS HGy A 30 LYS HBx 1.0 1.8 3.54 89 44 A 9 LEU HDy% A 9 LEU HBx 1.0 1.8 3.52 90 44 A 9 LEU HDx% A 9 LEU HBx 1.0 1.8 3.52 91 45 A 30 LYS HDx A 30 LYS HA 1.0 1.8 5.48 92 45 A 30 LYS HDy A 30 LYS HA 1.0 1.8 5.48 93 46 A 17 ILE HA A 17 ILE HG2% 1.0 1.8 3.26 94 46 A 20 ILE HA A 20 ILE HG2% 1.0 1.8 3.26 95 47 A 11 LYS HBx A 11 LYS HA 1.0 1.8 3.80 96 47 A 11 LYS HBy A 11 LYS HA 1.0 1.8 3.80 97 48 A 24 THR H A 22 ALA HB% 1.0 1.8 5.22 98 48 A 25 ILE H A 22 ALA HB% 1.0 1.8 5.22 99 49 A 11 LYS HGx A 11 LYS HA 1.0 1.8 4.72 100 49 A 11 LYS HGy A 11 LYS HA 1.0 1.8 4.72 101 50 A 16 VAL HGy% A 16 VAL HA 1.0 1.8 3.56 102 50 A 16 VAL HGx% A 16 VAL HA 1.0 1.8 3.56 103 51 A 12 ASP H A 11 LYS HGy 1.0 1.8 5.50 104 51 A 12 ASP H A 11 LYS HGx 1.0 1.8 5.50 105 52 A 30 LYS HGy A 31 ASN H 1.0 1.8 4.76 106 52 A 30 LYS HGx A 31 ASN H 1.0 1.8 4.76 107 53 A 25 ILE HA A 25 ILE HG2% 1.0 1.8 3.40 108 53 A 26 ILE HA A 26 ILE HG2% 1.0 1.8 3.40 109 54 A 14 PRO HGy A 14 PRO HDy 1.0 1.8 3.40 110 54 A 14 PRO HGx A 14 PRO HDy 1.0 1.8 3.40 111 55 A 16 VAL HGx% A 15 ASN HBx 1.0 1.8 4.56 112 55 A 16 VAL HGy% A 15 ASN HBx 1.0 1.8 4.56 113 56 A 16 VAL HGx% A 16 VAL HB 1.0 1.8 3.16 114 56 A 16 VAL HGy% A 16 VAL HB 1.0 1.8 3.16 115 57 A 25 ILE HB A 25 ILE HG2% 1.0 1.8 2.96 116 57 A 26 ILE HB A 26 ILE HG2% 1.0 1.8 2.96 117 58 A 7 LYS HBx A 7 LYS HA 1.0 1.8 3.78 118 58 A 7 LYS HBy A 7 LYS HA 1.0 1.8 3.78 119 59 A 28 ALA HB% A 28 ALA HA 1.0 1.8 2.98 120 59 A 22 ALA HB% A 22 ALA HA 1.0 1.8 2.98 121 60 A 14 PRO HGy A 14 PRO HA 1.0 1.8 3.54 122 60 A 14 PRO HBx A 14 PRO HA 1.0 1.8 3.54 123 61 A 16 VAL HGx% A 21 CYS HBy 1.0 1.8 3.96 124 61 A 16 VAL HGy% A 21 CYS HBy 1.0 1.8 3.96 125 62 A 12 ASP HBx A 12 ASP HA 1.0 1.8 3.32 126 62 A 32 CYS HBy A 32 CYS HA 1.0 1.8 3.32 127 63 A 26 ILE HB A 26 ILE HG1x 1.0 1.8 3.42 128 63 A 25 ILE HB A 25 ILE HG1x 1.0 1.8 3.42 129 64 A 20 ILE HB A 20 ILE HG1y 1.0 1.8 3.46 130 64 A 17 ILE HB A 17 ILE HG1y 1.0 1.8 3.46 131 65 A 17 ILE HB A 18 SER H 1.0 1.8 3.88 132 66 A 26 ILE HG1y A 26 ILE H 1.0 1.8 3.86 133 66 A 25 ILE HG1y A 25 ILE H 1.0 1.8 3.86 134 67 A 20 ILE HB A 20 ILE HD1% 1.0 1.8 3.70 135 67 A 17 ILE HB A 17 ILE HD1% 1.0 1.8 3.70 136 68 A 17 ILE HB A 17 ILE HG2% 1.0 1.8 2.88 137 68 A 20 ILE HB A 20 ILE HG2% 1.0 1.8 2.88 138 69 A 16 VAL HGx% A 13 CYS HBx 1.0 1.8 4.26 139 69 A 16 VAL HGy% A 13 CYS HBx 1.0 1.8 4.26 140 70 A 28 ALA H A 29 CYS HBy 1.0 1.8 5.30 141 71 A 20 ILE H A 19 SER HBy 1.0 1.8 3.82 142 71 A 20 ILE H A 19 SER HBx 1.0 1.8 3.82 143 72 A 19 SER H A 19 SER HA 1.0 1.8 3.10 144 72 A 19 SER H A 18 SER HA 1.0 1.8 3.10 145 73 A 21 CYS H A 21 CYS HA 1.0 1.8 3.32 146 73 A 32 CYS H A 31 ASN HA 1.0 1.8 3.32 147 74 A 31 ASN HD2y A 31 ASN HBy 1.0 1.8 4.64 148 75 A 5 TRP H A 4 GLY HAy 1.0 1.8 4.04 149 75 A 5 TRP H A 4 GLY HAx 1.0 1.8 4.04 150 76 A 4 GLY HAy A 4 GLY H 1.0 1.8 4.00 151 76 A 4 GLY HAx A 4 GLY H 1.0 1.8 4.00 152 77 A 27 THR HB A 27 THR H 1.0 1.8 3.14 153 77 A 26 ILE HA A 27 THR H 1.0 1.8 3.14 154 78 A 31 ASN HBx A 32 CYS H 1.0 1.8 3.82 155 79 A 17 ILE HA A 18 SER H 1.0 1.8 3.16 156 80 A 20 ILE HA A 21 CYS H 1.0 1.8 3.34 157 81 A 20 ILE HD1% A 20 ILE HG1x 1.0 1.8 2.88 158 82 A 20 ILE HA A 20 ILE H 1.0 1.8 3.56 159 83 A 6 ILE HG2% A 6 ILE HA 1.0 1.8 4.60 160 84 A 24 THR H A 23 GLY HAx 1.0 1.8 3.56 161 85 A 11 LYS HDy A 11 LYS HEx 1.0 1.8 3.84 162 86 A 23 GLY HAx A 23 GLY H 1.0 1.8 3.66 163 87 A 17 ILE H A 16 VAL HA 1.0 1.8 3.18 164 88 A 27 THR HG2% A 27 THR HA 1.0 1.8 4.02 165 89 A 33 ALA HB% A 33 ALA HA 1.0 1.8 5.50 166 90 A 28 ALA H A 28 ALA HA 1.0 1.8 3.26 167 91 A 15 ASN HBx A 15 ASN HA 1.0 1.8 3.46 168 92 A 15 ASN HA A 15 ASN HBy 1.0 1.8 3.64 169 93 A 14 PRO HGx A 14 PRO HA 1.0 1.8 4.28 170 94 A 32 CYS HBy A 31 ASN HA 1.0 1.8 4.38 171 95 A 28 ALA HA A 29 CYS H 1.0 1.8 3.52 172 96 A 28 ALA H A 27 THR HA 1.0 1.8 3.64 173 97 A 7 LYS H A 7 LYS HA 1.0 1.8 4.22 174 98 A 4 GLY H A 3 ARG HA 1.0 1.8 4.18 175 99 A 32 CYS H A 32 CYS HBx 1.0 1.8 4.32 176 100 A 19 SER HBy A 19 SER H 1.0 1.8 4.06 177 101 A 14 PRO HDy A 15 ASN H 1.0 1.8 5.50 178 102 A 18 SER H A 18 SER HBy 1.0 1.8 4.10 179 103 A 13 CYS HBy A 13 CYS HA 1.0 1.8 4.02 180 104 A 13 CYS HBx A 13 CYS HA 1.0 1.8 3.96 181 105 A 24 THR H A 23 GLY HAy 1.0 1.8 3.68 182 106 A 30 LYS HBy A 30 LYS HA 1.0 1.8 3.82 183 107 A 30 LYS HBx A 30 LYS HA 1.0 1.8 3.72 184 108 A 21 CYS HA A 21 CYS HBx 1.0 1.8 3.34 185 109 A 32 CYS HA A 32 CYS HBx 1.0 1.8 3.50 186 110 A 21 CYS HBy A 21 CYS HA 1.0 1.8 3.44 187 111 A 29 CYS HBy A 29 CYS HA 1.0 1.8 3.58 188 112 A 9 LEU HBy A 9 LEU HA 1.0 1.8 4.12 189 113 A 9 LEU HBx A 9 LEU HA 1.0 1.8 4.28 190 114 A 16 VAL HA A 16 VAL HB 1.0 1.8 3.88 191 115 A 18 SER H A 18 SER HBx 1.0 1.8 3.88 192 116 A 27 THR HB A 27 THR HG2% 1.0 1.8 3.62 193 117 A 19 SER HBx A 19 SER H 1.0 1.8 3.64 194 118 A 24 THR HB A 24 THR HG2% 1.0 1.8 3.42 195 119 A 24 THR HG2% A 24 THR HA 1.0 1.8 3.88 196 120 A 16 VAL H A 16 VAL HA 1.0 1.8 3.76 197 121 A 14 PRO HDx A 15 ASN H 1.0 1.8 4.68 198 122 A 11 LYS H A 11 LYS HA 1.0 1.8 4.46 199 123 A 15 ASN HD2x A 15 ASN HA 1.0 1.8 5.50 200 124 A 16 VAL H A 15 ASN HA 1.0 1.8 3.56 201 125 A 5 TRP HE3 A 5 TRP HA 1.0 1.8 5.46 202 126 A 13 CYS H A 12 ASP HA 1.0 1.8 4.98 203 127 A 5 TRP HA A 5 TRP HD1 1.0 1.8 5.14 204 128 A 6 ILE H A 6 ILE HA 1.0 1.8 4.66 205 129 A 23 GLY H A 23 GLY HAy 1.0 1.8 3.36 206 130 A 29 CYS HA A 29 CYS HBx 1.0 1.8 3.40 207 131 A 14 PRO HDy A 13 CYS HA 1.0 1.8 3.90 208 132 A 12 ASP H A 11 LYS HA 1.0 1.8 4.24 209 133 A 7 LYS H A 6 ILE HA 1.0 1.8 3.38 210 134 A 31 ASN HA A 31 ASN HBy 1.0 1.8 4.00 211 135 A 14 PRO HDy A 14 PRO HBy 1.0 1.8 4.88 212 136 A 7 LYS H A 7 LYS HGy 1.0 1.8 5.06 213 137 A 22 ALA HB% A 21 CYS H 1.0 1.8 5.50 214 138 A 20 ILE HG1x A 21 CYS H 1.0 1.8 5.06 215 139 A 22 ALA HB% A 21 CYS HBx 1.0 1.8 5.50 216 140 A 22 ALA H A 21 CYS HA 1.0 1.8 3.44 217 141 A 15 ASN HBx A 16 VAL HB 1.0 1.8 5.50 218 142 A 14 PRO HDx A 14 PRO HBy 1.0 1.8 5.50 219 143 A 9 LEU H A 9 LEU HA 1.0 1.8 4.04 220 144 A 11 LYS H A 32 CYS HBy 1.0 1.8 5.50 221 145 A 21 CYS HBy A 29 CYS H 1.0 1.8 5.50 222 146 A 11 LYS H A 32 CYS HBx 1.0 1.8 5.50 223 147 A 3 ARG H A 2 ASP HA 1.0 1.8 4.86 224 148 A 6 ILE H A 5 TRP HA 1.0 1.8 3.78 225 149 A 13 CYS H A 13 CYS HA 1.0 1.8 4.78 226 150 A 17 ILE H A 17 ILE HA 1.0 1.8 3.60 227 151 A 28 ALA HB% A 27 THR HA 1.0 1.8 5.50 228 152 A 29 CYS H A 29 CYS HA 1.0 1.8 3.84 229 153 A 6 ILE H A 5 TRP HBx 1.0 1.8 5.48 230 154 A 30 LYS H A 29 CYS H 1.0 1.8 4.16 231 155 A 6 ILE H A 5 TRP HBy 1.0 1.8 5.12 232 156 A 6 ILE H A 6 ILE HD1% 1.0 1.8 5.36 233 157 A 15 ASN H A 15 ASN HA 1.0 1.8 3.46 234 158 A 9 LEU HDx% A 9 LEU HA 1.0 1.8 5.14 235 159 A 9 LEU HDy% A 9 LEU HA 1.0 1.8 4.82 236 160 A 17 ILE HA A 17 ILE HD1% 1.0 1.8 4.28 237 161 A 31 ASN H A 31 ASN HA 1.0 1.8 3.80 238 162 A 6 ILE HA A 6 ILE HB 1.0 1.8 4.68 239 163 A 15 ASN H A 14 PRO HA 1.0 1.8 3.40 240 164 A 22 ALA HB% A 21 CYS HA 1.0 1.8 5.50 241 165 A 6 ILE HG1x A 6 ILE HB 1.0 1.8 3.92 242 166 A 20 ILE H A 19 SER HA 1.0 1.8 3.48 243 167 A 22 ALA HA A 23 GLY H 1.0 1.8 3.20 244 168 A 6 ILE HG1x A 6 ILE HD1% 1.0 1.8 3.68 245 169 A 32 CYS HA A 32 CYS H 1.0 1.8 3.86 246 170 A 32 CYS HA A 33 ALA H 1.0 1.8 4.22 247 171 A 5 TRP HA A 5 TRP HBy 1.0 1.8 4.64 248 172 A 5 TRP HA A 5 TRP HBx 1.0 1.8 4.58 249 173 A 12 ASP HA A 12 ASP HBy 1.0 1.8 4.34 250 174 A 21 CYS HA A 29 CYS HBx 1.0 1.8 4.72 251 175 A 29 CYS HBy A 21 CYS HA 1.0 1.8 4.74 252 176 A 30 LYS HA A 31 ASN H 1.0 1.8 3.46 253 177 A 25 ILE H A 24 THR HA 1.0 1.8 3.14 254 178 A 20 ILE HG2% A 29 CYS HBy 1.0 1.8 4.96 255 179 A 14 PRO HDx A 13 CYS HA 1.0 1.8 4.14 256 180 A 30 LYS H A 30 LYS HA 1.0 1.8 4.02 257 181 A 20 ILE HG2% A 29 CYS HBx 1.0 1.8 5.10 258 182 A 14 PRO HDy A 13 CYS H 1.0 1.8 5.50 259 183 A 20 ILE HG2% A 21 CYS HBx 1.0 1.8 4.96 260 184 A 26 ILE HG1y A 26 ILE HD1% 1.0 1.8 2.78 261 185 A 31 ASN HBx A 31 ASN HA 1.0 1.8 4.44 262 186 A 14 PRO HDx A 13 CYS H 1.0 1.8 5.50 263 187 A 31 ASN HD2y A 31 ASN HA 1.0 1.8 5.50 264 188 A 12 ASP H A 12 ASP HA 1.0 1.8 4.04 265 189 A 5 TRP H A 5 TRP HA 1.0 1.8 4.62 266 190 A 6 ILE HG2% A 6 ILE HB 1.0 1.8 4.02 267 191 A 14 PRO HGx A 14 PRO HBy 1.0 1.8 3.22 268 192 A 30 LYS H A 29 CYS HA 1.0 1.8 3.32 269 193 A 14 PRO HA A 14 PRO HBy 1.0 1.8 3.30 270 194 A 22 ALA H A 21 CYS H 1.0 1.8 3.76 271 195 A 20 ILE H A 19 SER H 1.0 1.8 3.70 272 196 A 20 ILE H A 21 CYS H 1.0 1.8 4.30 273 197 A 12 ASP H A 11 LYS H 1.0 1.8 5.24 274 198 A 17 ILE H A 16 VAL H 1.0 1.8 4.38 275 199 A 12 ASP H A 13 CYS H 1.0 1.8 4.26 276 200 A 15 ASN H A 16 VAL H 1.0 1.8 4.04 277 201 A 17 ILE H A 18 SER H 1.0 1.8 4.26 278 202 A 22 ALA H A 23 GLY H 1.0 1.8 4.42 279 203 A 31 ASN HBx A 31 ASN HD2x 1.0 1.8 5.32 280 204 A 24 THR H A 23 GLY H 1.0 1.8 4.52 281 205 A 13 CYS H A 13 CYS HBx 1.0 1.8 4.98 282 206 A 5 TRP H A 4 GLY H 1.0 1.8 5.50 283 207 A 12 ASP H A 12 ASP HBx 1.0 1.8 4.60 284 208 A 12 ASP H A 12 ASP HBy 1.0 1.8 4.76 285 209 A 15 ASN H A 15 ASN HBy 1.0 1.8 4.10 286 210 A 15 ASN H A 15 ASN HBx 1.0 1.8 3.98 287 211 A 32 CYS H A 33 ALA H 1.0 1.8 5.50 288 212 A 5 TRP HE3 A 5 TRP HH2 1.0 1.8 5.16 289 213 A 5 TRP HH2 A 5 TRP HZ2 1.0 1.8 3.84 290 214 A 5 TRP H A 5 TRP HD1 1.0 1.8 5.50 291 215 A 5 TRP HH2 A 5 TRP HZ3 1.0 1.8 3.80 292 216 A 5 TRP HE3 A 5 TRP HZ3 1.0 1.8 4.18 293 217 A 25 ILE H A 25 ILE HG1x 1.0 1.8 4.18 294 218 A 7 LYS H A 7 LYS HGx 1.0 1.8 4.00 295 219 A 25 ILE HB A 25 ILE H 1.0 1.8 3.76 296 220 A 20 ILE HB A 21 CYS H 1.0 1.8 4.36 297 221 A 30 LYS HBx A 31 ASN H 1.0 1.8 4.54 298 222 A 30 LYS HBy A 31 ASN H 1.0 1.8 4.56 299 223 A 25 ILE H A 25 ILE HG2% 1.0 1.8 4.42 300 224 A 20 ILE HG2% A 21 CYS H 1.0 1.8 4.34 301 225 A 5 TRP HD1 A 5 TRP HE1 1.0 1.8 4.18 302 226 A 5 TRP HZ2 A 5 TRP HE1 1.0 1.8 5.02 303 227 A 20 ILE HG1y A 21 CYS H 1.0 1.8 4.80 304 228 A 6 ILE H A 6 ILE HG1y 1.0 1.8 5.50 305 229 A 27 THR H A 26 ILE HG2% 1.0 1.8 4.64 306 230 A 17 ILE HG1x A 18 SER H 1.0 1.8 4.64 307 231 A 17 ILE HG1y A 18 SER H 1.0 1.8 5.50 308 232 A 22 ALA HB% A 23 GLY H 1.0 1.8 4.60 309 233 A 30 LYS H A 29 CYS HBy 1.0 1.8 4.86 310 234 A 17 ILE H A 17 ILE HG1y 1.0 1.8 4.34 311 235 A 17 ILE H A 17 ILE HG1x 1.0 1.8 4.74 312 236 A 7 LYS H A 6 ILE HG1x 1.0 1.8 5.50 313 237 A 26 ILE HB A 27 THR H 1.0 1.8 4.48 314 238 A 9 LEU HDy% A 11 LYS H 1.0 1.8 5.50 315 239 A 16 VAL H A 16 VAL HB 1.0 1.8 3.72 316 240 A 9 LEU H A 9 LEU HBx 1.0 1.8 4.80 317 241 A 6 ILE H A 6 ILE HB 1.0 1.8 4.30 318 242 A 17 ILE H A 17 ILE HD1% 1.0 1.8 5.40 319 243 A 17 ILE H A 17 ILE HG2% 1.0 1.8 4.74 320 244 A 7 LYS H A 6 ILE HG2% 1.0 1.8 5.28 321 245 A 6 ILE H A 6 ILE HG2% 1.0 1.8 5.50 322 246 A 20 ILE HG2% A 20 ILE H 1.0 1.8 4.32 323 247 A 20 ILE HD1% A 20 ILE H 1.0 1.8 5.50 324 248 A 30 LYS H A 29 CYS HBx 1.0 1.8 4.34 325 249 A 20 ILE HG1y A 20 ILE H 1.0 1.8 4.04 326 250 A 28 ALA HB% A 29 CYS H 1.0 1.8 4.52 327 251 A 20 ILE HG1x A 20 ILE H 1.0 1.8 4.40 328 252 A 17 ILE HD1% A 18 SER H 1.0 1.8 5.50 329 253 A 17 ILE HG2% A 18 SER H 1.0 1.8 4.84 330 254 A 33 ALA HB% A 33 ALA H 1.0 1.8 5.34 331 255 A 29 CYS HBy A 29 CYS H 1.0 1.8 3.74 332 256 A 9 LEU H A 13 CYS HBx 1.0 1.8 5.26 333 257 A 29 CYS H A 29 CYS HBx 1.0 1.8 3.96 334 258 A 22 ALA H A 21 CYS HBy 1.0 1.8 4.44 335 259 A 9 LEU H A 13 CYS HBy 1.0 1.8 5.50 336 260 A 32 CYS HBy A 33 ALA H 1.0 1.8 5.50 337 261 A 15 ASN HBx A 16 VAL H 1.0 1.8 4.88 338 262 A 32 CYS HBx A 33 ALA H 1.0 1.8 5.50 339 263 A 5 TRP H A 5 TRP HBx 1.0 1.8 5.02 340 264 A 5 TRP H A 5 TRP HBy 1.0 1.8 4.82 341 265 A 22 ALA H A 29 CYS HBy 1.0 1.8 5.04 342 266 A 21 CYS H A 21 CYS HBx 1.0 1.8 3.88 343 267 A 31 ASN H A 31 ASN HBy 1.0 1.8 4.00 344 268 A 31 ASN HBx A 31 ASN H 1.0 1.8 4.20 345 269 A 22 ALA H A 21 CYS HBx 1.0 1.8 4.64 346 270 A 22 ALA H A 29 CYS HBx 1.0 1.8 5.50 347 271 A 32 CYS HBy A 32 CYS H 1.0 1.8 3.88 348 272 A 21 CYS HBy A 21 CYS H 1.0 1.8 3.54 349 273 A 14 PRO HBx A 15 ASN H 1.0 1.8 4.38 350 274 A 14 PRO HGx A 15 ASN H 1.0 1.8 5.50 351 275 A 15 ASN H A 14 PRO HBy 1.0 1.8 5.50 352 276 A 20 ILE HB A 20 ILE H 1.0 1.8 3.62 353 277 A 20 ILE HB A 22 ALA H 1.0 1.8 5.50 354 278 A 17 ILE H A 16 VAL HB 1.0 1.8 4.76 355 279 A 17 ILE H A 17 ILE HB 1.0 1.8 3.66 356 280 A 5 TRP HE3 A 5 TRP HBy 1.0 1.8 5.34 357 281 A 31 ASN HBy A 31 ASN HD2x 1.0 1.8 4.84 358 282 A 5 TRP HE3 A 5 TRP HBx 1.0 1.8 5.22 359 283 A 16 VAL H A 15 ASN HBy 1.0 1.8 5.40 360 284 A 15 ASN HD2x A 15 ASN HBy 1.0 1.8 4.74 361 285 A 32 CYS H A 31 ASN HBy 1.0 1.8 4.86 362 286 A 15 ASN HD2y A 15 ASN HBy 1.0 1.8 4.76 363 287 A 5 TRP HD1 A 5 TRP HBy 1.0 1.8 5.50 364 288 A 5 TRP HD1 A 5 TRP HBx 1.0 1.8 5.50 365 289 A 11 LYS HDx A 11 LYS HEx 1.0 1.8 3.54 366 289 A 30 LYS HEy A 30 LYS HDx 1.0 1.8 3.54 367 289 A 30 LYS HEx A 30 LYS HDx 1.0 1.8 3.54 368 289 A 30 LYS HEx A 30 LYS HDy 1.0 1.8 3.54 369 289 A 7 LYS HEy A 7 LYS HDx 1.0 1.8 3.54 370 289 A 11 LYS HDx A 11 LYS HEy 1.0 1.8 3.54 371 289 A 7 LYS HEx A 7 LYS HDx 1.0 1.8 3.54 372 289 A 11 LYS HDy A 11 LYS HEy 1.0 1.8 3.54 373 289 A 7 LYS HEx A 7 LYS HDy 1.0 1.8 3.54 374 289 A 7 LYS HDy A 7 LYS HEy 1.0 1.8 3.54 375 289 A 30 LYS HDy A 30 LYS HEy 1.0 1.8 3.54 376 290 A 7 LYS HGx A 7 LYS HEy 1.0 1.8 3.86 377 290 A 7 LYS HGx A 7 LYS HEx 1.0 1.8 3.86 378 291 A 11 LYS HGy A 11 LYS HEx 1.0 1.8 4.44 379 291 A 30 LYS HEx A 30 LYS HGy 1.0 1.8 4.44 380 291 A 11 LYS HGx A 11 LYS HEy 1.0 1.8 4.44 381 291 A 30 LYS HEy A 30 LYS HGy 1.0 1.8 4.44 382 291 A 30 LYS HEx A 30 LYS HGx 1.0 1.8 4.44 383 291 A 11 LYS HGy A 11 LYS HEy 1.0 1.8 4.44 384 291 A 30 LYS HEy A 30 LYS HGx 1.0 1.8 4.44 385 291 A 11 LYS HGx A 11 LYS HEx 1.0 1.8 4.44 386 292 A 17 ILE HD1% A 17 ILE HG1x 1.0 1.8 2.86 387 292 A 9 LEU HG A 9 LEU HDy% 1.0 1.8 2.86 388 292 A 20 ILE HD1% A 20 ILE HG1x 1.0 1.8 2.86 389 293 A 30 LYS HGy A 30 LYS HA 1.0 1.8 2.58 390 293 A 30 LYS HGx A 30 LYS HA 1.0 1.8 2.58 391 294 A 3 ARG HDy A 3 ARG HGy 1.0 1.8 5.50 392 294 A 3 ARG HGx A 3 ARG HDx 1.0 1.8 5.50 393 294 A 3 ARG HGy A 3 ARG HDx 1.0 1.8 5.50 394 294 A 3 ARG HGx A 3 ARG HDy 1.0 1.8 5.50 395 295 A 20 ILE HA A 20 ILE HG1y 1.0 1.8 3.16 396 295 A 26 ILE HG1y A 26 ILE HA 1.0 1.8 3.16 397 295 A 27 THR HB A 27 THR HG2% 1.0 1.8 3.16 398 296 A 19 SER HBx A 19 SER HA 1.0 1.8 2.90 399 297 A 26 ILE HG1y A 26 ILE HG2% 1.0 1.8 3.16 400 297 A 20 ILE HG1y A 20 ILE HG2% 1.0 1.8 3.16 401 297 A 17 ILE HG1y A 17 ILE HG2% 1.0 1.8 3.16 402 298 A 26 ILE HB A 26 ILE HG1x 1.0 1.8 3.42 403 298 A 25 ILE HB A 25 ILE HG1x 1.0 1.8 3.42 404 299 A 30 LYS HGx A 30 LYS HBx 1.0 1.8 3.52 405 299 A 30 LYS HGy A 30 LYS HBx 1.0 1.8 3.52 406 300 A 6 ILE HG1x A 6 ILE HG2% 1.0 1.8 4.18 407 300 A 6 ILE HG1x A 6 ILE HD1% 1.0 1.8 4.18 408 301 A 20 ILE HB A 20 ILE HD1% 1.0 1.8 3.86 409 301 A 17 ILE HB A 17 ILE HD1% 1.0 1.8 3.86 410 302 A 17 ILE HB A 17 ILE HG2% 1.0 1.8 2.98 411 302 A 20 ILE HB A 20 ILE HG2% 1.0 1.8 2.98 412 303 A 17 ILE HD1% A 17 ILE HG1y 1.0 1.8 3.08 413 304 A 20 ILE HA A 29 CYS HBx 1.0 1.8 4.78 414 304 A 20 ILE HA A 21 CYS HBx 1.0 1.8 4.78 415 305 A 17 ILE HG2% A 17 ILE HG1x 1.0 1.8 3.70 416 305 A 20 ILE HG2% A 20 ILE HG1x 1.0 1.8 3.70 417 306 A 26 ILE HG1y A 26 ILE HB 1.0 1.8 3.68 418 306 A 25 ILE HG1y A 25 ILE HB 1.0 1.8 3.68 419 307 A 17 ILE HB A 17 ILE HG1x 1.0 1.8 3.12 420 307 A 20 ILE HB A 20 ILE HG1x 1.0 1.8 3.12 421 308 A 20 ILE HB A 20 ILE HG1y 1.0 1.8 3.54 422 308 A 17 ILE HB A 17 ILE HG1y 1.0 1.8 3.54 423 309 A 26 ILE HA A 26 ILE HG2% 1.0 1.8 3.42 424 310 A 16 VAL HGy% A 16 VAL HA 1.0 1.8 3.56 425 310 A 16 VAL HGx% A 16 VAL HA 1.0 1.8 3.56 426 311 A 17 ILE HA A 17 ILE HG2% 1.0 1.8 3.48 427 311 A 20 ILE HA A 20 ILE HG2% 1.0 1.8 3.48 428 312 A 16 VAL HGx% A 16 VAL HB 1.0 1.8 3.22 429 312 A 16 VAL HGy% A 16 VAL HB 1.0 1.8 3.22 430 313 A 28 ALA HB% A 28 ALA HA 1.0 1.8 3.00 431 313 A 22 ALA HB% A 22 ALA HA 1.0 1.8 3.00 432 314 A 20 ILE HG2% A 22 ALA HA 1.0 1.8 5.14 433 314 A 25 ILE HG2% A 24 THR HA 1.0 1.8 5.14 434 315 A 6 ILE HA A 6 ILE HD1% 1.0 1.8 4.34 435 315 A 6 ILE HG2% A 6 ILE HA 1.0 1.8 4.34 436 316 A 11 LYS HBx A 11 LYS HA 1.0 1.8 3.70 437 316 A 11 LYS HBy A 11 LYS HA 1.0 1.8 3.70 438 317 A 16 VAL HGy% A 13 CYS HBx 1.0 1.8 4.32 439 317 A 16 VAL HGx% A 13 CYS HBx 1.0 1.8 4.32 440 318 A 16 VAL HGx% A 13 CYS HBy 1.0 1.8 4.64 441 318 A 16 VAL HGy% A 13 CYS HBy 1.0 1.8 4.64 442 319 A 17 ILE HG2% A 18 SER HBx 1.0 1.8 5.50 443 319 A 20 ILE HG2% A 19 SER HBx 1.0 1.8 5.50 444 320 A 16 VAL HGx% A 15 ASN HA 1.0 1.8 5.50 445 320 A 16 VAL HGy% A 15 ASN HA 1.0 1.8 5.50 446 321 A 25 ILE HB A 25 ILE HG2% 1.0 1.8 3.08 447 321 A 26 ILE HB A 26 ILE HG2% 1.0 1.8 3.08 448 322 A 25 ILE HB A 25 ILE HA 1.0 1.8 3.16 449 322 A 26 ILE HB A 26 ILE HA 1.0 1.8 3.16 450 323 A 20 ILE HB A 20 ILE HA 1.0 1.8 3.10 451 323 A 17 ILE HB A 17 ILE HA 1.0 1.8 3.10 452 324 A 12 ASP HBx A 12 ASP HA 1.0 1.8 3.56 453 324 A 32 CYS HBy A 32 CYS HA 1.0 1.8 3.56 454 325 A 6 ILE HD1% A 6 ILE HB 1.0 1.8 3.72 455 325 A 6 ILE HG2% A 6 ILE HB 1.0 1.8 3.72 456 326 A 25 ILE HB A 25 ILE HD1% 1.0 1.8 3.70 457 326 A 26 ILE HB A 26 ILE HD1% 1.0 1.8 3.70 458 327 A 7 LYS HBx A 7 LYS HA 1.0 1.8 3.78 459 327 A 7 LYS HBy A 7 LYS HA 1.0 1.8 3.78 460 328 A 14 PRO HDx A 14 PRO HBx 1.0 1.8 3.74 461 328 A 14 PRO HDx A 14 PRO HGy 1.0 1.8 3.74 462 329 A 14 PRO HGy A 14 PRO HDy 1.0 1.8 4.00 463 329 A 14 PRO HBx A 14 PRO HDy 1.0 1.8 4.00 464 330 A 14 PRO HGy A 14 PRO HA 1.0 1.8 3.54 465 330 A 14 PRO HBx A 14 PRO HA 1.0 1.8 3.54 466 331 A 13 CYS HBy A 30 LYS HA 1.0 1.8 5.50 467 331 A 13 CYS HBy A 14 PRO HA 1.0 1.8 5.50 468 332 A 30 LYS HA A 13 CYS HBx 1.0 1.8 5.50 469 332 A 14 PRO HA A 13 CYS HBx 1.0 1.8 5.50 470 333 A 30 LYS HDx A 30 LYS HA 1.0 1.8 5.02 471 333 A 30 LYS HDy A 30 LYS HA 1.0 1.8 5.02 472 334 A 26 ILE HA A 26 ILE HD1% 1.0 1.8 4.18 473 335 A 27 THR HG2% A 27 THR HA 1.0 1.8 3.34 474 335 A 17 ILE HA A 17 ILE HG1y 1.0 1.8 3.34 475 336 A 16 VAL HGy% A 15 ASN HBy 1.0 1.8 5.50 476 336 A 16 VAL HGx% A 15 ASN HBy 1.0 1.8 5.50 477 337 A 5 TRP HA A 5 TRP HBx 1.0 1.8 4.08 478 338 A 9 LEU HDx% A 9 LEU HA 1.0 1.8 4.66 479 338 A 9 LEU HDy% A 9 LEU HA 1.0 1.8 4.66 480 339 A 3 ARG HA A 3 ARG HGy 1.0 1.8 5.22 481 339 A 3 ARG HA A 3 ARG HGx 1.0 1.8 5.22 482 340 A 23 GLY HAy A 24 THR HA 1.0 1.8 4.02 483 340 A 22 ALA HA A 23 GLY HAy 1.0 1.8 4.02 484 341 A 11 LYS HGx A 11 LYS HA 1.0 1.8 4.14 485 341 A 11 LYS HGy A 11 LYS HA 1.0 1.8 4.14 486 342 A 4 GLY HAx A 3 ARG HA 1.0 1.8 4.18 487 342 A 4 GLY HAy A 3 ARG HA 1.0 1.8 4.18 488 343 A 6 ILE HG1x A 6 ILE HB 1.0 1.8 3.84 489 344 A 14 PRO HGx A 14 PRO HBy 1.0 1.8 3.40 490 345 A 14 PRO HDy A 14 PRO HBy 1.0 1.8 4.96 491 346 A 20 ILE HG2% A 29 CYS HBx 1.0 1.8 5.50 492 347 A 20 ILE HG2% A 21 CYS HBx 1.0 1.8 5.10 493 348 A 20 ILE HG2% A 29 CYS HBy 1.0 1.8 5.50 494 349 A 9 LEU HDx% A 9 LEU HBx 1.0 1.8 4.70 495 350 A 9 LEU HDy% A 9 LEU HBx 1.0 1.8 5.04 496 351 A 14 PRO HDx A 14 PRO HA 1.0 1.8 4.60 497 352 A 5 TRP HZ2 A 5 TRP HZ3 1.0 1.8 5.50 498 353 A 9 LEU HG A 6 ILE HG2% 1.0 1.8 4.66 499 354 A 7 LYS HGx A 7 LYS HDy 1.0 1.8 2.90 500 355 A 9 LEU HG A 9 LEU HDx% 1.0 1.8 2.74 501 356 A 20 ILE HD1% A 20 ILE HG1y 1.0 1.8 2.96 502 357 A 11 LYS HDy A 11 LYS HEx 1.0 1.8 3.92 503 358 A 16 VAL HB A 13 CYS HBx 1.0 1.8 5.50 504 359 A 3 ARG HA A 3 ARG HBx 1.0 1.8 5.22 505 360 A 5 TRP HD1 A 5 TRP HBy 1.0 1.8 5.50 506 361 A 5 TRP HE3 A 5 TRP HBy 1.0 1.8 5.18 507 362 A 19 SER HBy A 19 SER HA 1.0 1.8 3.94 508 363 A 20 ILE HD1% A 29 CYS HA 1.0 1.8 5.50 509 364 A 25 ILE HA A 25 ILE HG2% 1.0 1.8 3.62 510 365 A 13 CYS HBy A 13 CYS HA 1.0 1.8 5.16 511 366 A 6 ILE HB A 6 ILE HG1y 1.0 1.8 4.40 512 367 A 7 LYS HA A 7 LYS HGy 1.0 1.8 4.34 513 368 A 17 ILE HA A 17 ILE HG1x 1.0 1.8 4.06 514 369 A 3 ARG HA A 3 ARG HBy 1.0 1.8 4.88 515 370 A 17 ILE HG2% A 18 SER HBy 1.0 1.8 5.50 516 371 A 25 ILE HA A 25 ILE HD1% 1.0 1.8 4.42 517 372 A 18 SER HA A 18 SER HBx 1.0 1.8 3.46 518 373 A 18 SER HA A 18 SER HBy 1.0 1.8 3.82 519 374 A 7 LYS HA A 5 TRP HD1 1.0 1.8 5.50 520 375 A 5 TRP HA A 5 TRP HD1 1.0 1.8 5.50 521 376 A 20 ILE HG2% A 19 SER HBy 1.0 1.8 5.50 522 377 A 33 ALA HB% A 33 ALA HA 1.0 1.8 4.16 523 378 A 1 ALA HA A 1 ALA HB% 1.0 1.8 5.50 524 379 A 5 TRP HE3 A 5 TRP HA 1.0 1.8 5.50 525 380 A 20 ILE HG2% A 29 CYS HA 1.0 1.8 5.50 526 381 A 9 LEU HBx A 9 LEU HA 1.0 1.8 5.10 527 382 A 9 LEU HBy A 9 LEU HA 1.0 1.8 4.78 528 383 A 5 TRP HE3 A 5 TRP HZ3 1.0 1.8 3.94 529 384 A 5 TRP HH2 A 5 TRP HZ2 1.0 1.8 3.90 530 385 A 5 TRP HD1 A 6 ILE HB 1.0 1.8 5.18 531 386 A 5 TRP HE3 A 5 TRP HH2 1.0 1.8 5.46 532 387 A 30 LYS HBy A 30 LYS HA 1.0 1.8 3.96 533 388 A 30 LYS HBx A 30 LYS HA 1.0 1.8 3.76 534 389 A 14 PRO HDx A 14 PRO HGx 1.0 1.8 3.74 535 390 A 20 ILE HA A 20 ILE HG1x 1.0 1.8 3.62 536 391 A 27 THR HB A 28 ALA HB% 1.0 1.8 4.84 537 392 A 14 PRO HA A 14 PRO HBy 1.0 1.8 3.50 538 393 A 14 PRO HGx A 14 PRO HDy 1.0 1.8 3.98 539 394 A 14 PRO HDx A 14 PRO HBy 1.0 1.8 5.26 540 395 A 16 VAL HA A 16 VAL HB 1.0 1.8 3.82 541 396 A 17 ILE HG2% A 18 SER HA 1.0 1.8 5.50 542 397 A 20 ILE HD1% A 22 ALA HA 1.0 1.8 5.50 543 398 A 22 ALA HB% A 23 GLY HAy 1.0 1.8 5.22 544 399 A 6 ILE HA A 6 ILE HB 1.0 1.8 4.66 545 400 A 24 THR HB A 24 THR HG2% 1.0 1.8 3.38 546 401 A 24 THR HG2% A 24 THR HA 1.0 1.8 4.08 547 402 A 6 ILE HA A 6 ILE HG1y 1.0 1.8 5.16 548 403 A 17 ILE HA A 17 ILE HD1% 1.0 1.8 4.12 549 404 A 6 ILE HG1x A 6 ILE HA 1.0 1.8 5.04 550 405 A 13 CYS HBx A 13 CYS HA 1.0 1.8 4.24 551 406 A 21 CYS HBy A 21 CYS HA 1.0 1.8 4.62 552 407 A 21 CYS HA A 21 CYS HBx 1.0 1.8 4.88 553 408 A 20 ILE HA A 29 CYS HBy 1.0 1.8 5.10 554 409 A 14 PRO HDy A 13 CYS HA 1.0 1.8 4.10 555 410 A 32 CYS HA A 32 CYS HBx 1.0 1.8 3.90 556 411 A 29 CYS HBy A 29 CYS HA 1.0 1.8 4.56 557 412 A 29 CYS HA A 29 CYS HBx 1.0 1.8 4.28 558 413 A 15 ASN HA A 15 ASN HBy 1.0 1.8 4.44 559 414 A 15 ASN HBx A 15 ASN HA 1.0 1.8 4.46 560 415 A 12 ASP HA A 12 ASP HBy 1.0 1.8 4.24 561 416 A 5 TRP HD1 A 5 TRP HBx 1.0 1.8 5.46 562 417 A 14 PRO HDx A 13 CYS HA 1.0 1.8 4.16 563 418 A 5 TRP HA A 5 TRP HBy 1.0 1.8 5.06 564 419 A 5 TRP HE3 A 5 TRP HBx 1.0 1.8 5.48 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 ASP N 1.0 -48.0 -8.0 PSI 2 2 A 11 LYS C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -107.2 -61.4 PHI 3 3 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 CYS N 1.0 -43.9 26.9 PSI 4 4 A 27 THR C A 28 ALA N A 28 ALA CA A 28 ALA C 1.0 -120.7 -38.5 PHI 5 5 A 28 ALA N A 28 ALA CA A 28 ALA C A 29 CYS N 1.0 -69.2 23.4 PSI 6 6 A 29 CYS C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -110.0 -25.4 PHI 7 7 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 ASN N 1.0 -70.8 12.2 PSI 8 8 A 31 ASN C A 32 CYS N A 32 CYS CA A 32 CYS C 1.0 -140.0 -33.2 PHI 9 9 A 32 CYS N A 32 CYS CA A 32 CYS C A 33 ALA N 1.0 -73.4 52.8 PSI stop_ save_