data_nef_c25722_2n5m save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2N5M 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 627 GLY start . false 2 A 628 GLY middle . false 3 A 629 ILE middle . . 4 A 630 ARG middle . . 5 A 631 LYS middle . . 6 A 632 THR middle . . 7 A 633 ARG middle . . 8 A 634 GLU middle . . 9 A 635 THR middle . . 10 A 636 GLU middle . . 11 A 637 ARG middle . . 12 A 638 LEU middle . . 13 A 639 ARG middle . . 14 A 640 ARG middle . . 15 A 641 GLN middle . . 16 A 642 LEU middle . . 17 A 643 LEU middle . . 18 A 644 GLU middle . . 19 A 645 VAL middle . . 20 A 646 PHE middle . . 21 A 647 TRP middle . . 22 A 648 GLY middle . false 23 A 649 GLN middle . . 24 A 650 ASP middle . . 25 A 651 HIS middle . . 26 A 652 LYS middle . . 27 A 653 VAL middle . . 28 A 654 ASP middle . . 29 A 655 PHE middle . . 30 A 656 ILE middle . . 31 A 657 LEU middle . . 32 A 658 GLN middle . . 33 A 659 ARG middle . . 34 A 660 GLU middle . . 35 A 661 PRO middle . false 36 A 662 TYR middle . . 37 A 663 CYS middle . . 38 A 664 ARG middle . . 39 A 665 ASP middle . . 40 A 666 ILE middle . . 41 A 667 ASN middle . . 42 A 668 GLN middle . . 43 A 669 LEU middle . . 44 A 670 SER middle . . 45 A 671 GLU middle . . 46 A 672 ALA middle . . 47 A 673 LEU middle . . 48 A 674 LEU middle . . 49 A 675 SER middle . . 50 A 676 LEU middle . . 51 A 677 ASN middle . . 52 A 678 PHE 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 627 GLY H1 H 1 8.3960 0.0000 A 627 GLY N N 15 119.4640 0.0000 A 628 GLY H H 1 8.7270 0.0000 A 628 GLY N N 15 113.0060 0.0000 A 629 ILE H H 1 8.5600 0.0000 A 629 ILE HA H 1 4.2480 0.0000 A 629 ILE HB H 1 1.5610 0.0000 A 629 ILE HG1x H 1 0.8520 0.0000 A 629 ILE HG1y H 1 0.8520 0.0000 A 629 ILE HG2% H 1 0.8520 0.0000 A 629 ILE N N 15 122.7300 0.0000 A 630 ARG H H 1 8.0290 0.0000 A 630 ARG N N 15 119.8800 0.0000 A 631 LYS H H 1 8.6640 0.0000 A 631 LYS N N 15 119.0400 0.0000 A 632 THR H H 1 8.3760 0.0000 A 632 THR N N 15 109.9500 0.0000 A 633 ARG H H 1 8.0170 0.0000 A 633 ARG HA H 1 3.6800 0.0000 A 633 ARG N N 15 120.9500 0.0000 A 634 GLU H H 1 7.2600 0.0000 A 634 GLU HA H 1 4.0800 0.0000 A 634 GLU HBx H 1 2.3300 0.0000 A 634 GLU HBy H 1 2.3300 0.0000 A 634 GLU HGx H 1 2.3300 0.0000 A 634 GLU HGy H 1 2.3300 0.0000 A 634 GLU N N 15 118.2010 0.0000 A 635 THR H H 1 8.1370 0.0000 A 635 THR N N 15 115.2740 0.0000 A 636 GLU H H 1 8.2740 0.0000 A 636 GLU HA H 1 4.1080 0.0000 A 636 GLU HBx H 1 2.0700 0.0000 A 636 GLU HBy H 1 2.0700 0.0000 A 636 GLU N N 15 115.3010 0.0000 A 637 ARG H H 1 7.8100 0.0000 A 637 ARG HA H 1 3.7590 0.0000 A 637 ARG HGx H 1 1.5900 0.0000 A 637 ARG HGy H 1 1.5900 0.0000 A 637 ARG N N 15 120.1740 0.0000 A 638 LEU H H 1 8.1700 0.0000 A 638 LEU HA H 1 3.4500 0.0000 A 638 LEU HDx% H 1 0.7130 0.0000 A 638 LEU HDy% H 1 0.7130 0.0000 A 638 LEU N N 15 120.6580 0.0000 A 639 ARG H H 1 7.5100 0.0000 A 639 ARG HA H 1 3.9240 0.0000 A 639 ARG HDx H 1 2.2100 0.0000 A 639 ARG HDy H 1 2.2100 0.0000 A 639 ARG N N 15 116.3250 0.0000 A 640 ARG H H 1 7.9250 0.0000 A 640 ARG HA H 1 4.0150 0.0000 A 640 ARG HDx H 1 2.2200 0.0000 A 640 ARG HDy H 1 2.2200 0.0000 A 640 ARG N N 15 117.9040 0.0000 A 641 GLN H H 1 8.6820 0.0000 A 641 GLN N N 15 118.2030 0.0000 A 643 LEU H H 1 7.1390 0.0000 A 643 LEU N N 15 119.1400 0.0000 A 644 GLU H H 1 8.8490 0.0000 A 644 GLU N N 15 120.1400 0.0000 A 645 VAL H H 1 7.9860 0.0000 A 645 VAL HA H 1 3.9940 0.0000 A 645 VAL HB H 1 1.7960 0.0000 A 645 VAL N N 15 119.3300 0.0000 A 646 PHE H H 1 8.0270 0.0000 A 646 PHE HA H 1 4.4010 0.0000 A 646 PHE HBx H 1 2.7480 0.0000 A 646 PHE HBy H 1 3.0300 0.0000 A 646 PHE N N 15 115.4580 0.0000 A 647 TRP H H 1 7.0700 0.0000 A 647 TRP HA H 1 4.5800 0.0000 A 647 TRP HBx H 1 3.1640 0.0000 A 647 TRP HBy H 1 3.1640 0.0000 A 647 TRP N N 15 120.2280 0.0000 A 648 GLY H H 1 8.2450 0.0000 A 648 GLY HAx H 1 4.0400 0.0000 A 648 GLY HAy H 1 4.0400 0.0000 A 648 GLY N N 15 108.0000 0.0000 A 649 GLN H H 1 7.6820 0.0000 A 649 GLN N N 15 119.5160 0.0000 A 650 ASP H H 1 7.8800 0.0000 A 650 ASP N N 15 114.5990 0.0000 A 651 HIS H H 1 8.9680 0.0000 A 651 HIS N N 15 126.8200 0.0000 A 652 LYS HA H 1 4.0250 0.0000 A 652 LYS N N 15 119.7470 0.0000 A 653 VAL H H 1 8.2900 0.0000 A 653 VAL HA H 1 3.8100 0.0000 A 653 VAL HGx% H 1 0.9900 0.0000 A 653 VAL HGy% H 1 0.9900 0.0000 A 653 VAL N N 15 120.5910 0.0000 A 654 ASP H H 1 7.8860 0.0000 A 654 ASP HA H 1 3.9940 0.0000 A 654 ASP HBx H 1 2.2900 0.0000 A 654 ASP HBy H 1 2.2900 0.0000 A 654 ASP N N 15 119.9620 0.0000 A 655 PHE H H 1 8.3570 0.0000 A 655 PHE HA H 1 4.4600 0.0000 A 655 PHE HBx H 1 2.9800 0.0000 A 655 PHE HBy H 1 2.9800 0.0000 A 655 PHE N N 15 123.2050 0.0000 A 656 ILE H H 1 7.1500 0.0000 A 656 ILE HA H 1 4.1300 0.0000 A 656 ILE HB H 1 1.6000 0.0000 A 656 ILE HD1% H 1 0.8400 0.0000 A 656 ILE HG1x H 1 1.1800 0.0000 A 656 ILE HG1y H 1 1.1800 0.0000 A 656 ILE HG2% H 1 0.8400 0.0000 A 656 ILE N N 15 122.3290 0.0000 A 657 LEU H H 1 9.0100 0.0000 A 657 LEU HA H 1 4.4020 0.0000 A 657 LEU N N 15 123.1050 0.0000 A 658 GLN H H 1 6.9640 0.0000 A 658 GLN N N 15 114.5500 0.0000 A 659 ARG H H 1 7.4790 0.0000 A 659 ARG N N 15 116.0340 0.0000 A 660 GLU H H 1 8.8350 0.0000 A 660 GLU N N 15 117.6300 0.0000 A 662 TYR H H 1 8.2210 0.0000 A 662 TYR N N 15 119.8000 0.0000 A 663 CYS H H 1 8.2330 0.0000 A 663 CYS HA H 1 4.3300 0.0000 A 663 CYS HBx H 1 2.6100 0.0000 A 663 CYS HBy H 1 2.6100 0.0000 A 663 CYS N N 15 118.3190 0.0000 A 664 ARG H H 1 7.2680 0.0000 A 664 ARG HA H 1 4.0860 0.0000 A 664 ARG HDx H 1 2.2090 0.0000 A 664 ARG HDy H 1 2.2090 0.0000 A 664 ARG N N 15 114.3910 0.0000 A 665 ASP H H 1 8.6200 0.0000 A 665 ASP HA H 1 4.5900 0.0000 A 665 ASP HBx H 1 2.6200 0.0000 A 665 ASP HBy H 1 2.6200 0.0000 A 665 ASP N N 15 122.8970 0.0000 A 666 ILE H H 1 6.9760 0.0000 A 666 ILE HA H 1 3.8100 0.0000 A 666 ILE HD1% H 1 0.1500 0.0000 A 666 ILE HG2% H 1 0.8200 0.0000 A 666 ILE N N 15 116.6200 0.0000 A 667 ASN H H 1 7.3970 0.0000 A 667 ASN HA H 1 4.3200 0.0000 A 667 ASN HBx H 1 2.9180 0.0000 A 667 ASN HBy H 1 2.9180 0.0000 A 667 ASN N N 15 124.7620 0.0000 A 668 GLN H H 1 7.2670 0.0000 A 668 GLN HA H 1 4.9330 0.0000 A 668 GLN HBx H 1 1.9710 0.0000 A 668 GLN HBy H 1 1.9710 0.0000 A 668 GLN N N 15 114.3910 0.0000 A 669 LEU H H 1 8.3090 0.0000 A 669 LEU HA H 1 3.3600 0.0000 A 669 LEU HBx H 1 1.0000 0.0000 A 669 LEU HBy H 1 2.7100 0.0000 A 669 LEU HDx% H 1 0.5100 0.0000 A 669 LEU HDy% H 1 0.5100 0.0000 A 669 LEU HG H 1 1.0000 0.0000 A 669 LEU N N 15 121.3870 0.0000 A 670 SER H H 1 7.4480 0.0000 A 670 SER HA H 1 4.3040 0.0000 A 670 SER HBx H 1 3.9350 0.0000 A 670 SER HBy H 1 3.9350 0.0000 A 670 SER N N 15 112.3050 0.0000 A 671 GLU H H 1 7.8310 0.0000 A 671 GLU HA H 1 4.0110 0.0000 A 671 GLU HBx H 1 2.0030 0.0000 A 671 GLU HBy H 1 2.0030 0.0000 A 671 GLU HGx H 1 2.3790 0.0000 A 671 GLU HGy H 1 2.3790 0.0000 A 671 GLU N N 15 120.7490 0.0000 A 672 ALA H H 1 7.7280 0.0000 A 672 ALA HA H 1 4.0840 0.0000 A 672 ALA HB% H 1 1.4300 0.0000 A 672 ALA N N 15 119.6880 0.0000 A 673 LEU H H 1 8.1660 0.0000 A 673 LEU HA H 1 3.3700 0.0000 A 673 LEU HBx H 1 1.8700 0.0000 A 673 LEU HBy H 1 1.8700 0.0000 A 673 LEU HDx% H 1 0.9230 0.0000 A 673 LEU HDy% H 1 0.9230 0.0000 A 673 LEU N N 15 119.2580 0.0000 A 674 LEU H H 1 7.7800 0.0000 A 674 LEU HA H 1 3.8260 0.0000 A 674 LEU N N 15 121.4990 0.0000 A 675 SER H H 1 8.2770 0.0000 A 675 SER HA H 1 4.6940 0.0000 A 675 SER HBx H 1 3.8920 0.0000 A 675 SER HBy H 1 3.8920 0.0000 A 675 SER N N 15 109.7420 0.0000 A 676 LEU H H 1 7.7800 0.0000 A 676 LEU HA H 1 4.0450 0.0000 A 676 LEU HBx H 1 1.4600 0.0000 A 676 LEU HBy H 1 1.4600 0.0000 A 676 LEU HG H 1 1.4600 0.0000 A 676 LEU N N 15 121.8110 0.0000 A 677 ASN H H 1 7.7100 0.0000 A 677 ASN HA H 1 4.8050 0.0000 A 677 ASN HBx H 1 2.4820 0.0000 A 677 ASN HBy H 1 2.7910 0.0000 A 677 ASN N N 15 122.5260 0.0000 A 678 PHE H H 1 9.3000 0.0000 A 678 PHE HA H 1 4.4700 0.0000 A 678 PHE N N 15 128.5500 0.0000 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 634 GLU H A 635 THR H 1.0 1.8 3.5 2 2 A 637 ARG H A 638 LEU H 1.0 1.8 3.5 3 3 A 638 LEU H A 640 ARG H 1.0 2.8 5.7 4 4 A 635 THR H A 638 LEU H 1.0 2.8 6.0 5 5 A 640 ARG H A 641 GLN H 1.0 1.8 3.5 6 6 A 637 ARG H A 633 ARG H 1.0 2.8 6.0 7 7 A 654 ASP H A 655 PHE H 1.0 1.8 3.5 8 8 A 655 PHE H A 656 ILE H 1.0 1.8 3.5 9 9 A 656 ILE H A 657 LEU H 1.0 1.8 3.5 10 10 A 656 ILE H A 658 GLN H 1.0 1.8 5.0 11 11 A 655 PHE H A 653 VAL H 1.0 3.0 6.0 12 12 A 656 ILE H A 653 VAL H 1.0 1.8 4.5 13 13 A 648 GLY H A 647 TRP H 1.0 1.8 3.5 14 14 A 666 ILE H A 667 ASN H 1.0 1.8 3.5 15 15 A 675 SER H A 674 LEU H 1.0 1.8 3.5 16 16 A 670 SER H A 672 ALA H 1.0 1.8 5.0 17 17 A 664 ARG H A 665 ASP H 1.0 1.8 3.5 18 18 A 672 ALA H A 671 GLU H 1.0 1.8 3.5 19 19 A 671 GLU H A 673 LEU H 1.0 1.8 5.0 20 20 A 667 ASN H A 665 ASP H 1.0 1.8 5.0 21 21 A 667 ASN H A 669 LEU H 1.0 1.8 5.0 22 22 A 665 ASP H A 663 CYS H 1.0 1.8 5.0 23 23 A 666 ILE H A 670 SER H 1.0 1.8 5.0 24 24 A 672 ALA H A 673 LEU H 1.0 1.8 3.5 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 634 GLU H A 633 ARG H 1.0 1.8 3.5 2 2 A 637 ARG H A 636 GLU H 1.0 1.8 3.5 3 3 A 637 ARG H A 639 ARG H 1.0 2.8 5.7 4 4 A 634 GLU H A 637 ARG H 1.0 2.8 6.0 5 5 A 640 ARG H A 639 ARG H 1.0 1.8 3.5 6 6 A 635 THR H A 632 THR HA 1.0 2.8 6.0 7 7 A 654 ASP H A 653 VAL H 1.0 1.8 3.5 8 8 A 654 ASP H A 655 PHE H 1.0 1.8 3.5 9 9 A 655 PHE H A 656 ILE H 1.0 1.8 3.5 10 10 A 655 PHE H A 657 LEU H 1.0 1.8 5.0 11 11 A 654 ASP H A 652 LYS H 1.0 3.0 6.0 12 12 A 655 PHE H A 652 LYS HA 1.0 1.8 4.5 13 13 A 647 TRP H A 646 PHE H 1.0 1.8 3.5 14 14 A 666 ILE H A 665 ASP H 1.0 1.8 3.5 15 15 A 674 LEU H A 673 LEU H 1.0 1.8 3.5 16 16 A 664 ARG H A 663 CYS H 1.0 1.8 3.5 17 17 A 670 SER H A 671 GLU H 1.0 1.8 3.5 18 18 A 670 SER H A 673 LEU H 1.0 1.8 5.0 19 19 A 666 ILE H A 664 ARG H 1.0 1.8 5.0 20 20 A 664 ARG H A 662 TYR H 1.0 1.8 5.0 21 21 A 678 PHE H A 677 ASN H 1.0 1.8 3.5 22 22 A 674 LEU H A 671 GLU HA 1.0 1.8 4.0 23 23 A 634 GLU H A 645 VAL HB 1.0 2.5 5.5 24 24 A 634 GLU H A 646 PHE HBx 1.0 2.5 5.5 25 24 A 634 GLU H A 646 PHE HBy 1.0 2.5 5.5 26 25 A 634 GLU H A 647 TRP HBx 1.0 2.5 5.5 27 25 A 634 GLU H A 647 TRP HBy 1.0 2.5 5.5 28 26 A 672 ALA H A 636 GLU HBx 1.0 2.5 5.5 29 26 A 672 ALA H A 636 GLU HBy 1.0 2.5 5.5 30 27 A 672 ALA H A 638 LEU HDy% 1.0 2.5 5.5 31 28 A 655 PHE H A 638 LEU HDy% 1.0 2.5 5.5 32 29 A 647 TRP H A 638 LEU HDy% 1.0 2.5 5.5 33 30 A 647 TRP H A 639 ARG HBx 1.0 2.5 5.5 34 30 A 647 TRP H A 639 ARG HBy 1.0 2.5 5.5 35 31 A 639 ARG H A 645 VAL HB 1.0 2.5 5.5 36 32 A 645 VAL H A 639 ARG HBx 1.0 2.5 5.5 37 32 A 639 ARG HBy A 645 VAL H 1.0 2.5 5.5 38 33 A 639 ARG H A 647 TRP HBx 1.0 2.5 5.5 39 33 A 639 ARG H A 647 TRP HBy 1.0 2.5 5.5 40 34 A 656 ILE H A 646 PHE HBx 1.0 2.5 5.5 41 34 A 656 ILE H A 646 PHE HBy 1.0 2.5 5.5 42 35 A 646 PHE H A 656 ILE HG1y 1.0 2.5 5.5 43 35 A 646 PHE H A 656 ILE HG1x 1.0 2.5 5.5 44 36 A 666 ILE H A 647 TRP HBx 1.0 2.5 5.5 45 36 A 666 ILE H A 647 TRP HBy 1.0 2.5 5.5 46 37 A 672 ALA H A 654 ASP HBx 1.0 2.5 5.5 47 37 A 672 ALA H A 654 ASP HBy 1.0 2.5 5.5 48 38 A 655 PHE H A 664 ARG HBx 1.0 2.5 5.5 49 38 A 655 PHE H A 664 ARG HBy 1.0 2.5 5.5 50 39 A 655 PHE H A 668 GLN HBx 1.0 2.5 5.5 51 39 A 655 PHE H A 668 GLN HBy 1.0 2.5 5.5 52 40 A 666 ILE H A 656 ILE HG1y 1.0 2.5 5.5 53 40 A 666 ILE H A 656 ILE HG1x 1.0 2.5 5.5 54 41 A 671 GLU H A 656 ILE HG1y 1.0 2.5 5.5 55 41 A 671 GLU H A 656 ILE HG1x 1.0 2.5 5.5 56 42 A 656 ILE H A 668 GLN HBx 1.0 2.5 5.5 57 42 A 656 ILE H A 668 GLN HBy 1.0 2.5 5.5 58 43 A 656 ILE H A 664 ARG HBx 1.0 2.5 5.5 59 43 A 656 ILE H A 664 ARG HBy 1.0 2.5 5.5 60 44 A 657 LEU H A 664 ARG HBx 1.0 2.5 5.5 61 44 A 657 LEU H A 664 ARG HBy 1.0 2.5 5.5 62 45 A 664 ARG H A 657 LEU HBx 1.0 2.5 5.5 63 45 A 664 ARG H A 657 LEU HBy 1.0 2.5 5.5 64 46 A 666 ILE H A 657 LEU HBx 1.0 2.5 5.5 65 46 A 666 ILE H A 657 LEU HBy 1.0 2.5 5.5 66 47 A 672 ALA H A 657 LEU HBx 1.0 2.5 5.5 67 47 A 672 ALA H A 657 LEU HBy 1.0 2.5 5.5 68 48 A 646 PHE HA A 638 LEU HDx% 1.0 2.5 5.5 69 48 A 638 LEU HDy% A 646 PHE HA 1.0 2.5 5.5 70 49 A 667 ASN HA A 656 ILE HG1x 1.0 2.5 5.5 71 49 A 667 ASN HA A 656 ILE HG2% 1.0 2.5 5.5 72 49 A 656 ILE HG1y A 667 ASN HA 1.0 2.5 5.5 73 50 A 645 VAL HB A 634 GLU HA 1.0 2.5 5.5 74 51 A 664 ARG HA A 656 ILE HG1x 1.0 2.5 5.5 75 51 A 664 ARG HA A 656 ILE HG2% 1.0 2.5 5.5 76 51 A 656 ILE HG1y A 664 ARG HA 1.0 2.5 5.5 77 52 A 653 VAL HA A 638 LEU HDx% 1.0 2.5 5.5 78 52 A 638 LEU HDy% A 653 VAL HA 1.0 2.5 5.5 79 53 A 645 VAL HB A 638 LEU HA 1.0 2.5 5.5 80 54 A 653 VAL HB A 647 TRP HBx 1.0 2.5 5.5 81 54 A 647 TRP HBy A 653 VAL HB 1.0 2.5 5.5 82 55 A 639 ARG HBx A 647 TRP HBx 1.0 2.5 5.5 83 55 A 639 ARG HBy A 647 TRP HBx 1.0 2.5 5.5 84 55 A 647 TRP HBy A 639 ARG HBx 1.0 2.5 5.5 85 55 A 647 TRP HBy A 639 ARG HBy 1.0 2.5 5.5 86 56 A 647 TRP HBx A 667 ASN HBx 1.0 2.5 5.5 87 56 A 647 TRP HBy A 667 ASN HBx 1.0 2.5 5.5 88 56 A 667 ASN HBy A 647 TRP HBx 1.0 2.5 5.5 89 56 A 647 TRP HBy A 667 ASN HBy 1.0 2.5 5.5 90 57 A 646 PHE HBy A 667 ASN HBx 1.0 2.5 5.5 91 57 A 646 PHE HBx A 667 ASN HBx 1.0 2.5 5.5 92 57 A 667 ASN HBy A 646 PHE HBx 1.0 2.5 5.5 93 57 A 646 PHE HBy A 667 ASN HBy 1.0 2.5 5.5 94 58 A 639 ARG HBy A 656 ILE HG2% 1.0 2.5 5.5 95 58 A 656 ILE HG2% A 639 ARG HBx 1.0 2.5 5.5 96 58 A 639 ARG HBy A 656 ILE HG1y 1.0 2.5 5.5 97 58 A 639 ARG HBx A 656 ILE HG1x 1.0 2.5 5.5 98 58 A 656 ILE HG1y A 639 ARG HBx 1.0 2.5 5.5 99 58 A 639 ARG HBy A 656 ILE HG1x 1.0 2.5 5.5 100 59 A 657 LEU HBy A 668 GLN HBx 1.0 2.5 5.5 101 59 A 657 LEU HBx A 668 GLN HBx 1.0 2.5 5.5 102 59 A 668 GLN HBy A 657 LEU HBx 1.0 2.5 5.5 103 59 A 668 GLN HBy A 657 LEU HBy 1.0 2.5 5.5 104 60 A 645 VAL HB A 638 LEU HDy% 1.0 2.5 5.5 105 60 A 645 VAL HB A 638 LEU HDx% 1.0 2.5 5.5 106 61 A 656 ILE HB A 669 LEU HBx 1.0 2.5 5.5 107 61 A 669 LEU HBy A 656 ILE HB 1.0 2.5 5.5 108 62 A 657 LEU HBy A 667 ASN HBx 1.0 2.5 5.5 109 62 A 657 LEU HBx A 667 ASN HBx 1.0 2.5 5.5 110 62 A 667 ASN HBy A 657 LEU HBx 1.0 2.5 5.5 111 62 A 657 LEU HBy A 667 ASN HBy 1.0 2.5 5.5 112 63 A 656 ILE HB A 646 PHE HBx 1.0 2.5 5.5 113 63 A 646 PHE HBy A 656 ILE HB 1.0 2.5 5.5 114 64 A 647 TRP HBy A 656 ILE HG1y 1.0 2.5 5.5 115 64 A 656 ILE HG1y A 647 TRP HBx 1.0 2.5 5.5 116 64 A 647 TRP HBy A 656 ILE HG2% 1.0 2.5 5.5 117 64 A 647 TRP HBx A 656 ILE HG1x 1.0 2.5 5.5 118 64 A 647 TRP HBy A 656 ILE HG1x 1.0 2.5 5.5 119 64 A 656 ILE HG2% A 647 TRP HBx 1.0 2.5 5.5 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _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 632 THR O A 636 GLU N 1.0 2.4 3.5 2 2 A 636 GLU H A 632 THR O 1.0 1.5 2.5 3 3 A 633 ARG O A 637 ARG N 1.0 2.4 3.5 4 4 A 637 ARG H A 633 ARG O 1.0 1.5 2.5 5 5 A 634 GLU O A 638 LEU N 1.0 2.4 3.5 6 6 A 638 LEU H A 634 GLU O 1.0 1.5 2.5 7 7 A 635 THR O A 639 ARG N 1.0 2.4 3.5 8 8 A 639 ARG H A 635 THR O 1.0 1.5 2.5 9 9 A 636 GLU O A 640 ARG N 1.0 2.4 3.5 10 10 A 640 ARG H A 636 GLU O 1.0 1.5 2.5 11 11 A 645 VAL O A 649 GLN N 1.0 2.4 3.5 12 12 A 645 VAL O A 649 GLN H 1.0 1.5 2.5 13 13 A 652 LYS O A 656 ILE N 1.0 2.4 3.5 14 14 A 656 ILE H A 652 LYS O 1.0 1.5 2.5 15 15 A 662 TYR O A 666 ILE N 1.0 2.4 3.5 16 16 A 666 ILE H A 662 TYR O 1.0 1.5 2.5 17 17 A 663 CYS O A 667 ASN N 1.0 2.4 3.5 18 18 A 667 ASN H A 663 CYS O 1.0 1.5 2.5 19 19 A 664 ARG O A 668 GLN N 1.0 2.4 3.5 20 20 A 664 ARG O A 668 GLN H 1.0 1.5 2.5 21 21 A 665 ASP O A 669 LEU N 1.0 2.4 3.5 22 22 A 669 LEU H A 665 ASP O 1.0 1.5 2.5 23 23 A 666 ILE O A 670 SER N 1.0 2.4 3.5 24 24 A 670 SER H A 666 ILE O 1.0 1.5 2.5 25 25 A 667 ASN O A 671 GLU N 1.0 2.4 3.5 26 26 A 671 GLU H A 667 ASN O 1.0 1.5 2.5 27 27 A 668 GLN O A 672 ALA N 1.0 2.4 3.5 28 28 A 672 ALA H A 668 GLN O 1.0 1.5 2.5 29 29 A 669 LEU O A 673 LEU N 1.0 2.4 3.5 30 30 A 673 LEU H A 669 LEU O 1.0 1.5 2.5 31 31 A 670 SER O A 674 LEU N 1.0 2.4 3.5 32 32 A 674 LEU H A 670 SER O 1.0 1.5 2.5 33 33 A 671 GLU O A 675 SER N 1.0 2.4 3.5 34 34 A 675 SER H A 671 GLU O 1.0 1.5 2.5 35 35 A 672 ALA O A 676 LEU N 1.0 2.4 3.5 36 36 A 672 ALA O A 676 LEU H 1.0 1.5 2.5 37 37 A 673 LEU O A 677 ASN N 1.0 2.4 3.5 38 38 A 677 ASN H A 673 LEU O 1.0 1.5 2.5 39 39 A 674 LEU O A 678 PHE N 1.0 2.4 3.5 40 40 A 678 PHE H A 674 LEU O 1.0 1.5 2.5 stop_ save_ save_CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_5 _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 631 LYS C A 632 THR N A 632 THR CA A 632 THR C 1.0 -72.0 -52.0 PHI 2 2 A 632 THR N A 632 THR CA A 632 THR C A 633 ARG N 1.0 -62.0 -42.0 PSI 3 3 A 632 THR C A 633 ARG N A 633 ARG CA A 633 ARG C 1.0 -72.0 -52.0 PHI 4 4 A 633 ARG N A 633 ARG CA A 633 ARG C A 634 GLU N 1.0 -62.0 -42.0 PSI 5 5 A 633 ARG C A 634 GLU N A 634 GLU CA A 634 GLU C 1.0 -72.0 -52.0 PHI 6 6 A 634 GLU N A 634 GLU CA A 634 GLU C A 635 THR N 1.0 -62.0 -42.0 PSI 7 7 A 634 GLU C A 635 THR N A 635 THR CA A 635 THR C 1.0 -72.0 -52.0 PHI 8 8 A 635 THR N A 635 THR CA A 635 THR C A 636 GLU N 1.0 -62.0 -42.0 PSI 9 9 A 635 THR C A 636 GLU N A 636 GLU CA A 636 GLU C 1.0 -72.0 -52.0 PHI 10 10 A 636 GLU N A 636 GLU CA A 636 GLU C A 637 ARG N 1.0 -62.0 -42.0 PSI 11 11 A 636 GLU C A 637 ARG N A 637 ARG CA A 637 ARG C 1.0 -72.0 -52.0 PHI 12 12 A 637 ARG N A 637 ARG CA A 637 ARG C A 638 LEU N 1.0 -62.0 -42.0 PSI 13 13 A 637 ARG C A 638 LEU N A 638 LEU CA A 638 LEU C 1.0 -72.0 -52.0 PHI 14 14 A 638 LEU N A 638 LEU CA A 638 LEU C A 639 ARG N 1.0 -62.0 -42.0 PSI 15 15 A 638 LEU C A 639 ARG N A 639 ARG CA A 639 ARG C 1.0 -72.0 -52.0 PHI 16 16 A 639 ARG N A 639 ARG CA A 639 ARG C A 640 ARG N 1.0 -62.0 -42.0 PSI 17 17 A 639 ARG C A 640 ARG N A 640 ARG CA A 640 ARG C 1.0 -72.0 -52.0 PHI 18 18 A 640 ARG N A 640 ARG CA A 640 ARG C A 641 GLN N 1.0 -62.0 -42.0 PSI 19 19 A 644 GLU C A 645 VAL N A 645 VAL CA A 645 VAL C 1.0 -72.0 -52.0 PHI 20 20 A 645 VAL N A 645 VAL CA A 645 VAL C A 646 PHE N 1.0 -62.0 -42.0 PSI 21 21 A 645 VAL C A 646 PHE N A 646 PHE CA A 646 PHE C 1.0 -72.0 -52.0 PHI 22 22 A 646 PHE N A 646 PHE CA A 646 PHE C A 647 TRP N 1.0 -62.0 -42.0 PSI 23 23 A 646 PHE C A 647 TRP N A 647 TRP CA A 647 TRP C 1.0 -72.0 -52.0 PHI 24 24 A 647 TRP N A 647 TRP CA A 647 TRP C A 648 GLY N 1.0 -62.0 -42.0 PSI 25 25 A 650 ASP C A 651 HIS N A 651 HIS CA A 651 HIS C 1.0 -72.0 -52.0 PHI 26 26 A 651 HIS N A 651 HIS CA A 651 HIS C A 652 LYS N 1.0 -62.0 -42.0 PSI 27 27 A 651 HIS C A 652 LYS N A 652 LYS CA A 652 LYS C 1.0 -72.0 -52.0 PHI 28 28 A 652 LYS N A 652 LYS CA A 652 LYS C A 653 VAL N 1.0 -62.0 -42.0 PSI 29 29 A 652 LYS C A 653 VAL N A 653 VAL CA A 653 VAL C 1.0 -72.0 -52.0 PHI 30 30 A 653 VAL N A 653 VAL CA A 653 VAL C A 654 ASP N 1.0 -62.0 -42.0 PSI 31 31 A 653 VAL C A 654 ASP N A 654 ASP CA A 654 ASP C 1.0 -72.0 -52.0 PHI 32 32 A 654 ASP N A 654 ASP CA A 654 ASP C A 655 PHE N 1.0 -62.0 -42.0 PSI 33 33 A 654 ASP C A 655 PHE N A 655 PHE CA A 655 PHE C 1.0 -72.0 -52.0 PHI 34 34 A 655 PHE N A 655 PHE CA A 655 PHE C A 656 ILE N 1.0 -62.0 -42.0 PSI 35 35 A 655 PHE C A 656 ILE N A 656 ILE CA A 656 ILE C 1.0 -72.0 -52.0 PHI 36 36 A 656 ILE N A 656 ILE CA A 656 ILE C A 657 LEU N 1.0 -62.0 -42.0 PSI 37 37 A 656 ILE C A 657 LEU N A 657 LEU CA A 657 LEU C 1.0 -72.0 -52.0 PHI 38 38 A 657 LEU N A 657 LEU CA A 657 LEU C A 658 GLN N 1.0 -62.0 -42.0 PSI 39 39 A 661 PRO C A 662 TYR N A 662 TYR CA A 662 TYR C 1.0 -72.0 -52.0 PHI 40 40 A 662 TYR N A 662 TYR CA A 662 TYR C A 663 CYS N 1.0 -62.0 -42.0 PSI 41 41 A 662 TYR C A 663 CYS N A 663 CYS CA A 663 CYS C 1.0 -72.0 -52.0 PHI 42 42 A 663 CYS N A 663 CYS CA A 663 CYS C A 664 ARG N 1.0 -62.0 -42.0 PSI 43 43 A 663 CYS C A 664 ARG N A 664 ARG CA A 664 ARG C 1.0 -72.0 -52.0 PHI 44 44 A 664 ARG N A 664 ARG CA A 664 ARG C A 665 ASP N 1.0 -62.0 -42.0 PSI 45 45 A 664 ARG C A 665 ASP N A 665 ASP CA A 665 ASP C 1.0 -72.0 -52.0 PHI 46 46 A 665 ASP N A 665 ASP CA A 665 ASP C A 666 ILE N 1.0 -62.0 -42.0 PSI 47 47 A 665 ASP C A 666 ILE N A 666 ILE CA A 666 ILE C 1.0 -72.0 -52.0 PHI 48 48 A 666 ILE N A 666 ILE CA A 666 ILE C A 667 ASN N 1.0 -62.0 -42.0 PSI 49 49 A 666 ILE C A 667 ASN N A 667 ASN CA A 667 ASN C 1.0 -72.0 -52.0 PHI 50 50 A 667 ASN N A 667 ASN CA A 667 ASN C A 668 GLN N 1.0 -62.0 -42.0 PSI 51 51 A 667 ASN C A 668 GLN N A 668 GLN CA A 668 GLN C 1.0 -72.0 -52.0 PHI 52 52 A 668 GLN N A 668 GLN CA A 668 GLN C A 669 LEU N 1.0 -62.0 -42.0 PSI 53 53 A 668 GLN C A 669 LEU N A 669 LEU CA A 669 LEU C 1.0 -72.0 -52.0 PHI 54 54 A 669 LEU N A 669 LEU CA A 669 LEU C A 670 SER N 1.0 -62.0 -42.0 PSI 55 55 A 669 LEU C A 670 SER N A 670 SER CA A 670 SER C 1.0 -72.0 -52.0 PHI 56 56 A 670 SER N A 670 SER CA A 670 SER C A 671 GLU N 1.0 -62.0 -42.0 PSI 57 57 A 670 SER C A 671 GLU N A 671 GLU CA A 671 GLU C 1.0 -72.0 -52.0 PHI 58 58 A 671 GLU N A 671 GLU CA A 671 GLU C A 672 ALA N 1.0 -62.0 -42.0 PSI 59 59 A 671 GLU C A 672 ALA N A 672 ALA CA A 672 ALA C 1.0 -72.0 -52.0 PHI 60 60 A 672 ALA N A 672 ALA CA A 672 ALA C A 673 LEU N 1.0 -62.0 -42.0 PSI 61 61 A 672 ALA C A 673 LEU N A 673 LEU CA A 673 LEU C 1.0 -72.0 -52.0 PHI 62 62 A 673 LEU N A 673 LEU CA A 673 LEU C A 674 LEU N 1.0 -62.0 -42.0 PSI 63 63 A 673 LEU C A 674 LEU N A 674 LEU CA A 674 LEU C 1.0 -72.0 -52.0 PHI 64 64 A 674 LEU N A 674 LEU CA A 674 LEU C A 675 SER N 1.0 -62.0 -42.0 PSI 65 65 A 674 LEU C A 675 SER N A 675 SER CA A 675 SER C 1.0 -72.0 -52.0 PHI 66 66 A 675 SER N A 675 SER CA A 675 SER C A 676 LEU N 1.0 -62.0 -42.0 PSI 67 67 A 675 SER C A 676 LEU N A 676 LEU CA A 676 LEU C 1.0 -72.0 -52.0 PHI 68 68 A 676 LEU N A 676 LEU CA A 676 LEU C A 677 ASN N 1.0 -62.0 -42.0 PSI 69 69 A 676 LEU C A 677 ASN N A 677 ASN CA A 677 ASN C 1.0 -72.0 -52.0 PHI 70 70 A 677 ASN N A 677 ASN CA A 677 ASN C A 678 PHE N 1.0 -62.0 -42.0 PSI 71 71 A 677 ASN C A 678 PHE N A 678 PHE CA A 678 PHE C 1.0 -72.0 -52.0 PHI stop_ save_