data_nef_c30157_5t17 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 5T17 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 THR middle . . 3 A 3 VAL middle . . 4 A 4 LYS middle . . 5 A 5 GLN middle . . 6 A 6 THR middle . . 7 A 7 VAL middle . . 8 A 8 GLU middle . . 9 A 9 ILE middle . . 10 A 10 THR middle . . 11 A 11 ASN middle . . 12 A 12 LYS middle . . 13 A 13 LEU middle . . 14 A 14 GLY middle . false 15 A 15 MET middle . . 16 A 16 HIS middle . . 17 A 17 ALA middle . . 18 A 18 ARG middle . . 19 A 19 PRO middle . false 20 A 20 ALA middle . . 21 A 21 MET middle . . 22 A 22 LYS middle . . 23 A 23 LEU middle . . 24 A 24 PHE middle . . 25 A 25 GLU middle . . 26 A 26 LEU middle . . 27 A 27 MET middle . . 28 A 28 GLN middle . . 29 A 29 GLY middle . false 30 A 30 PHE middle . . 31 A 31 ASP middle . . 32 A 32 ALA middle . . 33 A 33 GLU middle . . 34 A 34 VAL middle . . 35 A 35 LEU middle . . 36 A 36 LEU middle . . 37 A 37 ARG middle . . 38 A 38 ASN middle . . 39 A 39 ASP middle . . 40 A 40 GLU middle . . 41 A 41 GLY middle . false 42 A 42 THR middle . . 43 A 43 GLU middle . . 44 A 44 ALA middle . . 45 A 45 GLU middle . . 46 A 46 ALA middle . . 47 A 47 ASN middle . . 48 A 48 SER middle . . 49 A 49 VAL middle . . 50 A 50 ILE middle . . 51 A 51 ALA middle . . 52 A 52 LEU middle . . 53 A 53 LEU middle . . 54 A 54 MET middle . . 55 A 55 LEU middle . . 56 A 56 ASP middle . . 57 A 57 SER middle . . 58 A 58 ALA middle . . 59 A 59 LYS middle . . 60 A 60 GLY middle . false 61 A 61 ARG middle . . 62 A 62 GLN middle . . 63 A 63 ILE middle . . 64 A 64 GLU middle . . 65 A 65 VAL middle . . 66 A 66 GLU middle . . 67 A 67 ALA middle . . 68 A 68 THR middle . . 69 A 69 GLY middle . false 70 A 70 PRO middle . false 71 A 71 GLN middle . . 72 A 72 GLU middle . . 73 A 73 GLU middle . . 74 A 74 GLU middle . . 75 A 75 ALA middle . . 76 A 76 LEU middle . . 77 A 77 ALA middle . . 78 A 78 ALA middle . . 79 A 79 VAL middle . . 80 A 80 ILE middle . . 81 A 81 ALA middle . . 82 A 82 LEU middle . . 83 A 83 PHE middle . . 84 A 84 ASN middle . . 85 A 85 SER 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 2 THR HA H 1 4.4981 . A 2 THR HB H 1 3.7836 . A 2 THR C C 13 170.8020 . A 2 THR CA C 13 62.6020 . A 2 THR CB C 13 69.9524 . A 2 THR CG2 C 13 21.4792 . A 3 VAL H H 1 8.9703 . A 3 VAL HA H 1 4.7191 . A 3 VAL HB H 1 2.1273 . A 3 VAL C C 13 173.1300 . A 3 VAL CA C 13 59.7777 . A 3 VAL CB C 13 35.1278 . A 3 VAL CGy C 13 22.3947 . A 3 VAL CGx C 13 20.4782 . A 3 VAL N N 15 122.9099 . A 4 LYS H H 1 8.2925 . A 4 LYS HA H 1 5.7270 . A 4 LYS HBx H 1 1.6077 . A 4 LYS HGx H 1 1.2310 . A 4 LYS HGy H 1 1.2310 . A 4 LYS C C 13 175.5660 . A 4 LYS CA C 13 54.7109 . A 4 LYS CB C 13 37.0986 . A 4 LYS CD C 13 35.7851 . A 4 LYS CG C 13 23.9596 . A 4 LYS N N 15 119.5260 . A 5 GLN H H 1 8.8408 . A 5 GLN HA H 1 4.5128 . A 5 GLN HBx H 1 1.7520 . A 5 GLN HBy H 1 2.1010 . A 5 GLN HE2y H 1 7.5860 . A 5 GLN HE2x H 1 6.7890 . A 5 GLN HGx H 1 2.4100 . A 5 GLN HGy H 1 2.4100 . A 5 GLN C C 13 173.9740 . A 5 GLN CA C 13 56.0746 . A 5 GLN CB C 13 33.9650 . A 5 GLN CG C 13 34.1229 . A 5 GLN N N 15 121.1022 . A 5 GLN NE2 N 15 111.1310 . A 6 THR H H 1 8.5298 . A 6 THR HA H 1 5.1139 . A 6 THR HB H 1 3.9461 . A 6 THR HG2% H 1 1.0800 . A 6 THR C C 13 174.1390 . A 6 THR CA C 13 62.1039 . A 6 THR CB C 13 69.9581 . A 6 THR CG2 C 13 22.0828 . A 6 THR N N 15 119.8864 . A 7 VAL H H 1 9.1488 . A 7 VAL HA H 1 4.4920 . A 7 VAL HB H 1 1.9142 . A 7 VAL HGx% H 1 0.7790 . A 7 VAL HGy% H 1 0.7790 . A 7 VAL C C 13 173.3050 . A 7 VAL CA C 13 60.0329 . A 7 VAL CB C 13 35.3614 . A 7 VAL CGx C 13 20.9855 . A 7 VAL CGy C 13 20.9855 . A 7 VAL N N 15 123.7901 . A 8 GLU H H 1 8.3788 . A 8 GLU HA H 1 4.5680 . A 8 GLU HBx H 1 1.9320 . A 8 GLU HBy H 1 1.9320 . A 8 GLU C C 13 175.9020 . A 8 GLU CA C 13 55.5632 . A 8 GLU CB C 13 30.8907 . A 8 GLU CG C 13 36.5510 . A 8 GLU N N 15 124.9014 . A 9 ILE H H 1 8.4600 . A 9 ILE HA H 1 4.2610 . A 9 ILE HB H 1 2.0991 . A 9 ILE HD1% H 1 0.6400 . A 9 ILE HG1x H 1 1.1880 . A 9 ILE HG1y H 1 1.1880 . A 9 ILE HG2% H 1 0.8330 . A 9 ILE C C 13 176.4490 . A 9 ILE CA C 13 59.8812 . A 9 ILE CB C 13 36.1530 . A 9 ILE CD1 C 13 11.2058 . A 9 ILE CG1 C 13 26.8536 . A 9 ILE CG2 C 13 17.7576 . A 9 ILE N N 15 125.2729 . A 10 THR H H 1 8.2292 . A 10 THR HA H 1 4.4942 . A 10 THR HB H 1 4.3410 . A 10 THR HG2% H 1 1.2420 . A 10 THR CA C 13 61.6174 . A 10 THR CB C 13 70.4432 . A 10 THR CG2 C 13 21.4765 . A 10 THR N N 15 119.2384 . A 11 ASN H H 1 8.5197 . A 11 ASN HA H 1 4.7311 . A 11 ASN HBx H 1 2.8416 . A 11 ASN HBy H 1 2.8416 . A 11 ASN HD2y H 1 7.5660 . A 11 ASN HD2x H 1 6.8670 . A 11 ASN C C 13 175.4560 . A 11 ASN CA C 13 53.4333 . A 11 ASN CB C 13 38.7984 . A 11 ASN N N 15 119.8662 . A 11 ASN ND2 N 15 111.5285 . A 12 LYS H H 1 8.2582 . A 12 LYS HA H 1 4.2636 . A 12 LYS HBx H 1 1.7817 . A 12 LYS HBy H 1 1.7817 . A 12 LYS C C 13 176.7670 . A 12 LYS CA C 13 57.0272 . A 12 LYS CB C 13 32.9601 . A 12 LYS CD C 13 28.9541 . A 12 LYS CE C 13 42.4435 . A 12 LYS CG C 13 24.8665 . A 12 LYS N N 15 121.1008 . A 13 LEU H H 1 8.0932 . A 13 LEU HA H 1 4.3012 . A 13 LEU HBx H 1 1.6250 . A 13 LEU HBy H 1 1.6250 . A 13 LEU HDx% H 1 0.9150 . A 13 LEU HDy% H 1 0.9150 . A 13 LEU C C 13 177.6700 . A 13 LEU CA C 13 55.7251 . A 13 LEU CB C 13 42.2979 . A 13 LEU CDy C 13 25.0522 . A 13 LEU CDx C 13 23.8298 . A 13 LEU N N 15 121.5541 . A 14 GLY H H 1 8.2160 . A 14 GLY HAy H 1 4.6780 . A 14 GLY HAx H 1 3.9510 . A 14 GLY C C 13 174.5510 . A 14 GLY CA C 13 45.5943 . A 14 GLY N N 15 108.2917 . A 15 MET H H 1 8.0271 . A 15 MET CA C 13 56.2086 . A 15 MET CB C 13 30.3812 . A 15 MET CG C 13 30.1783 . A 15 MET N N 15 120.8765 . A 16 HIS H H 1 7.6220 . A 16 HIS C C 13 175.0350 . A 16 HIS CA C 13 56.3382 . A 16 HIS CB C 13 30.5400 . A 16 HIS N N 15 122.7142 . A 17 ALA H H 1 7.8948 . A 17 ALA HB% H 1 1.3590 . A 17 ALA C C 13 177.2220 . A 17 ALA CA C 13 52.7836 . A 17 ALA CB C 13 19.4618 . A 17 ALA N N 15 123.3472 . A 18 ARG H H 1 8.2910 . A 18 ARG N N 15 119.1488 . A 19 PRO C C 13 177.3200 . A 19 PRO CA C 13 64.5695 . A 19 PRO CB C 13 31.7476 . A 20 ALA H H 1 8.3287 . A 20 ALA HB% H 1 1.3790 . A 20 ALA C C 13 178.4810 . A 20 ALA CA C 13 54.5476 . A 20 ALA CB C 13 19.0466 . A 20 ALA N N 15 120.5885 . A 21 MET H H 1 7.9181 . A 21 MET HA H 1 4.3110 . A 21 MET HBx H 1 2.1220 . A 21 MET HBy H 1 2.1220 . A 21 MET HGx H 1 2.5480 . A 21 MET HGy H 1 2.6810 . A 21 MET C C 13 177.6230 . A 21 MET CA C 13 57.0202 . A 21 MET CB C 13 32.4492 . A 21 MET N N 15 115.3113 . A 22 LYS H H 1 7.8781 . A 22 LYS HA H 1 4.3192 . A 22 LYS C C 13 177.8520 . A 22 LYS CA C 13 56.9801 . A 22 LYS CB C 13 32.3837 . A 22 LYS CD C 13 28.4655 . A 22 LYS CG C 13 24.7204 . A 22 LYS N N 15 119.3446 . A 23 LEU H H 1 7.8868 . A 23 LEU HA H 1 3.9044 . A 23 LEU HBx H 1 1.5370 . A 23 LEU HBy H 1 1.7410 . A 23 LEU HDx% H 1 0.8190 . A 23 LEU HDy% H 1 0.8190 . A 23 LEU C C 13 177.5650 . A 23 LEU CA C 13 58.5307 . A 23 LEU CB C 13 41.9971 . A 23 LEU CDy C 13 25.9391 . A 23 LEU CDx C 13 24.3882 . A 23 LEU N N 15 120.8266 . A 24 PHE H H 1 8.0444 . A 24 PHE HA H 1 4.2684 . A 24 PHE HBx H 1 3.2220 . A 24 PHE HBy H 1 3.2220 . A 24 PHE C C 13 178.0770 . A 24 PHE CA C 13 60.4983 . A 24 PHE CB C 13 38.2213 . A 24 PHE N N 15 117.3373 . A 25 GLU H H 1 8.0450 . A 25 GLU HA H 1 3.9339 . A 25 GLU HBx H 1 2.1120 . A 25 GLU HBy H 1 2.1120 . A 25 GLU HGx H 1 2.2940 . A 25 GLU HGy H 1 2.2940 . A 25 GLU C C 13 179.2650 . A 25 GLU CA C 13 59.2228 . A 25 GLU CB C 13 29.8291 . A 25 GLU CG C 13 36.8488 . A 25 GLU N N 15 118.9447 . A 26 LEU H H 1 8.0273 . A 26 LEU HA H 1 4.1084 . A 26 LEU HBx H 1 1.5900 . A 26 LEU HBy H 1 1.7980 . A 26 LEU HDx% H 1 0.9160 . A 26 LEU HDy% H 1 0.9160 . A 26 LEU C C 13 179.6860 . A 26 LEU CA C 13 57.6762 . A 26 LEU CB C 13 42.8469 . A 26 LEU CDy C 13 25.3686 . A 26 LEU N N 15 120.6436 . A 27 MET H H 1 8.0317 . A 27 MET HA H 1 4.4835 . A 27 MET HBx H 1 2.1700 . A 27 MET HBy H 1 2.1700 . A 27 MET HGx H 1 2.5760 . A 27 MET HGy H 1 2.5760 . A 27 MET C C 13 178.1860 . A 27 MET CA C 13 56.7485 . A 27 MET CB C 13 31.8844 . A 27 MET CG C 13 32.1651 . A 27 MET N N 15 114.9596 . A 28 GLN H H 1 7.4384 . A 28 GLN HA H 1 4.2167 . A 28 GLN HBx H 1 2.0510 . A 28 GLN HBy H 1 2.0510 . A 28 GLN HE2y H 1 7.1210 . A 28 GLN HE2x H 1 6.7320 . A 28 GLN HGx H 1 2.3520 . A 28 GLN HGy H 1 2.3520 . A 28 GLN C C 13 176.8890 . A 28 GLN CA C 13 57.2849 . A 28 GLN CB C 13 28.6870 . A 28 GLN CG C 13 34.0850 . A 28 GLN N N 15 116.7112 . A 28 GLN NE2 N 15 111.6595 . A 29 GLY H H 1 7.5727 . A 29 GLY HAy H 1 4.0244 . A 29 GLY HAx H 1 3.4250 . A 29 GLY C C 13 173.1210 . A 29 GLY CA C 13 45.1331 . A 29 GLY N N 15 104.4387 . A 30 PHE H H 1 7.4452 . A 30 PHE HA H 1 4.9115 . A 30 PHE HBx H 1 2.7270 . A 30 PHE HBy H 1 2.7270 . A 30 PHE C C 13 174.8000 . A 30 PHE CA C 13 56.5768 . A 30 PHE CB C 13 43.1785 . A 30 PHE N N 15 116.1865 . A 31 ASP H H 1 9.2212 . A 31 ASP HA H 1 4.8246 . A 31 ASP HBx H 1 2.4640 . A 31 ASP HBy H 1 2.8390 . A 31 ASP C C 13 174.1940 . A 31 ASP CA C 13 52.1726 . A 31 ASP CB C 13 38.5959 . A 31 ASP N N 15 122.8482 . A 32 ALA H H 1 7.6706 . A 32 ALA HA H 1 4.5518 . A 32 ALA HB% H 1 0.7940 . A 32 ALA C C 13 174.8960 . A 32 ALA CA C 13 51.9568 . A 32 ALA CB C 13 20.2974 . A 32 ALA N N 15 121.6880 . A 33 GLU H H 1 8.6277 . A 33 GLU HA H 1 4.6914 . A 33 GLU HBx H 1 1.9790 . A 33 GLU HBy H 1 2.1430 . A 33 GLU HGx H 1 2.2950 . A 33 GLU HGy H 1 2.2950 . A 33 GLU C C 13 175.9470 . A 33 GLU CA C 13 55.3658 . A 33 GLU CB C 13 32.0983 . A 33 GLU N N 15 120.9597 . A 34 VAL H H 1 8.7117 . A 34 VAL HA H 1 5.1070 . A 34 VAL HB H 1 1.9179 . A 34 VAL HGx% H 1 0.7690 . A 34 VAL HGy% H 1 0.7690 . A 34 VAL C C 13 173.9150 . A 34 VAL CA C 13 61.0242 . A 34 VAL CB C 13 33.9656 . A 34 VAL CGx C 13 21.6764 . A 34 VAL CGy C 13 21.6764 . A 34 VAL N N 15 125.7192 . A 35 LEU H H 1 9.4206 . A 35 LEU HA H 1 4.9271 . A 35 LEU HBx H 1 1.5130 . A 35 LEU HBy H 1 1.5130 . A 35 LEU C C 13 174.5220 . A 35 LEU CA C 13 53.5092 . A 35 LEU CB C 13 46.1459 . A 35 LEU CDx C 13 24.9838 . A 35 LEU CDy C 13 24.9838 . A 35 LEU N N 15 129.3410 . A 36 LEU H H 1 8.7921 . A 36 LEU HA H 1 5.3388 . A 36 LEU HBx H 1 1.3440 . A 36 LEU HBy H 1 1.7620 . A 36 LEU HDx% H 1 0.9160 . A 36 LEU HDy% H 1 0.6820 . A 36 LEU C C 13 175.8450 . A 36 LEU CA C 13 53.1732 . A 36 LEU CB C 13 44.5680 . A 36 LEU CDy C 13 25.9599 . A 36 LEU CDx C 13 25.1060 . A 36 LEU CG C 13 28.3238 . A 36 LEU N N 15 120.5669 . A 37 ARG H H 1 9.0474 . A 37 ARG HA H 1 5.4260 . A 37 ARG HBx H 1 1.5810 . A 37 ARG HDx H 1 3.2050 . A 37 ARG HDy H 1 3.2050 . A 37 ARG HGx H 1 1.3520 . A 37 ARG HGy H 1 1.6920 . A 37 ARG C C 13 175.8390 . A 37 ARG CA C 13 54.4537 . A 37 ARG CB C 13 34.3680 . A 37 ARG CD C 13 43.2600 . A 37 ARG CG C 13 28.3577 . A 37 ARG N N 15 120.9329 . A 38 ASN H H 1 8.2780 . A 38 ASN HA H 1 5.1258 . A 38 ASN HBx H 1 2.8490 . A 38 ASN HBy H 1 3.5980 . A 38 ASN HD2y H 1 7.5330 . A 38 ASN HD2x H 1 7.1990 . A 38 ASN C C 13 176.7060 . A 38 ASN CA C 13 50.9067 . A 38 ASN CB C 13 39.5969 . A 38 ASN N N 15 121.8791 . A 38 ASN ND2 N 15 109.8655 . A 39 ASP H H 1 8.7647 . A 39 ASP HA H 1 4.3778 . A 39 ASP HBx H 1 2.7190 . A 39 ASP HBy H 1 2.8970 . A 39 ASP C C 13 177.1450 . A 39 ASP CA C 13 55.8642 . A 39 ASP CB C 13 40.1698 . A 39 ASP N N 15 117.9439 . A 40 GLU H H 1 7.5840 . A 40 GLU HA H 1 4.3872 . A 40 GLU HBx H 1 2.0120 . A 40 GLU HBy H 1 2.2350 . A 40 GLU C C 13 176.9550 . A 40 GLU CA C 13 56.0900 . A 40 GLU CB C 13 32.6181 . A 40 GLU CG C 13 36.7605 . A 40 GLU N N 15 117.8384 . A 41 GLY H H 1 8.1039 . A 41 GLY HAy H 1 4.2767 . A 41 GLY HAx H 1 3.6109 . A 41 GLY C C 13 174.2420 . A 41 GLY CA C 13 45.1911 . A 41 GLY N N 15 107.7380 . A 42 THR H H 1 7.9211 . A 42 THR HA H 1 4.1367 . A 42 THR HB H 1 3.9130 . A 42 THR HG2% H 1 1.1590 . A 42 THR C C 13 172.7560 . A 42 THR CA C 13 63.2892 . A 42 THR CB C 13 68.7030 . A 42 THR CG2 C 13 22.4805 . A 42 THR N N 15 119.7599 . A 43 GLU H H 1 8.4059 . A 43 GLU HA H 1 5.2758 . A 43 GLU HBx H 1 1.9010 . A 43 GLU HBy H 1 1.9010 . A 43 GLU HGy H 1 2.2680 . A 43 GLU HGx H 1 2.2650 . A 43 GLU C C 13 175.5630 . A 43 GLU CA C 13 54.6297 . A 43 GLU CB C 13 32.8533 . A 43 GLU CG C 13 36.7096 . A 43 GLU N N 15 125.0171 . A 44 ALA H H 1 8.9812 . A 44 ALA HA H 1 4.6334 . A 44 ALA HB% H 1 1.2350 . A 44 ALA C C 13 175.8440 . A 44 ALA CA C 13 51.2073 . A 44 ALA CB C 13 22.5412 . A 44 ALA N N 15 124.2489 . A 45 GLU H H 1 8.7641 . A 45 GLU HA H 1 4.5420 . A 45 GLU HBy H 1 2.2340 . A 45 GLU HBx H 1 2.0280 . A 45 GLU HGx H 1 2.4260 . A 45 GLU HGy H 1 2.4260 . A 45 GLU C C 13 178.2580 . A 45 GLU CA C 13 56.7603 . A 45 GLU CB C 13 30.0386 . A 45 GLU CG C 13 36.3340 . A 45 GLU N N 15 121.9802 . A 46 ALA H H 1 8.7108 . A 46 ALA HA H 1 3.9110 . A 46 ALA HB% H 1 1.3610 . A 46 ALA CA C 13 54.9370 . A 46 ALA CB C 13 18.7527 . A 46 ALA N N 15 124.4078 . A 47 ASN HD2y H 1 7.5890 . A 47 ASN HD2x H 1 6.7850 . A 47 ASN C C 13 175.2680 . A 47 ASN CA C 13 52.9589 . A 47 ASN CB C 13 37.7806 . A 47 ASN ND2 N 15 110.8330 . A 48 SER H H 1 7.8160 . A 48 SER HA H 1 4.7103 . A 48 SER HBx H 1 4.1150 . A 48 SER HBy H 1 4.1150 . A 48 SER C C 13 175.6800 . A 48 SER CA C 13 57.6643 . A 48 SER CB C 13 65.6476 . A 48 SER N N 15 114.4154 . A 49 VAL H H 1 8.5863 . A 49 VAL C C 13 177.6885 . A 49 VAL CA C 13 65.6579 . A 49 VAL CB C 13 31.6661 . A 49 VAL CGx C 13 21.3162 . A 49 VAL CGy C 13 21.3162 . A 49 VAL N N 15 122.7974 . A 50 ILE H H 1 7.7670 . A 50 ILE HA H 1 3.7884 . A 50 ILE HB H 1 1.8840 . A 50 ILE HD1% H 1 0.7040 . A 50 ILE HG1x H 1 1.3200 . A 50 ILE HG1y H 1 1.3200 . A 50 ILE HG2% H 1 0.9200 . A 50 ILE C C 13 177.8940 . A 50 ILE CA C 13 63.6084 . A 50 ILE CB C 13 37.2210 . A 50 ILE CD1 C 13 11.9009 . A 50 ILE CG1 C 13 28.4914 . A 50 ILE CG2 C 13 17.8413 . A 50 ILE N N 15 118.6860 . A 51 ALA H H 1 7.6619 . A 51 ALA HA H 1 3.9300 . A 51 ALA HB% H 1 1.5450 . A 51 ALA C C 13 179.2550 . A 51 ALA CA C 13 55.3147 . A 51 ALA CB C 13 18.8394 . A 51 ALA N N 15 122.3972 . A 52 LEU H H 1 7.3568 . A 52 LEU HA H 1 3.9678 . A 52 LEU HBx H 1 1.6280 . A 52 LEU HBy H 1 1.9370 . A 52 LEU C C 13 179.4500 . A 52 LEU CA C 13 57.7899 . A 52 LEU CB C 13 41.3703 . A 52 LEU CDy C 13 25.2914 . A 52 LEU CDx C 13 23.4875 . A 52 LEU N N 15 115.9025 . A 53 LEU H H 1 7.6450 . A 53 LEU HA H 1 4.1159 . A 53 LEU HBx H 1 1.6260 . A 53 LEU HBy H 1 1.8470 . A 53 LEU C C 13 179.5600 . A 53 LEU CA C 13 57.6114 . A 53 LEU CB C 13 42.0495 . A 53 LEU N N 15 118.8754 . A 54 MET H H 1 7.9188 . A 54 MET HA H 1 4.4900 . A 54 MET C C 13 178.2950 . A 54 MET CA C 13 58.2835 . A 54 MET CB C 13 33.1842 . A 54 MET CG C 13 31.8471 . A 54 MET N N 15 115.0536 . A 55 LEU H H 1 7.8536 . A 55 LEU HA H 1 4.0059 . A 55 LEU HBx H 1 1.8150 . A 55 LEU HBy H 1 1.8150 . A 55 LEU HG H 1 1.4530 . A 55 LEU CB C 13 41.9364 . A 55 LEU N N 15 119.0956 . A 56 ASP H H 1 7.8601 . A 56 ASP HA H 1 4.4960 . A 56 ASP HBx H 1 2.7120 . A 56 ASP C C 13 177.6290 . A 56 ASP CA C 13 56.3530 . A 56 ASP CB C 13 41.5692 . A 56 ASP N N 15 119.2282 . A 57 SER H H 1 7.7371 . A 57 SER HA H 1 4.4580 . A 57 SER HBx H 1 3.9400 . A 57 SER HBy H 1 3.9400 . A 57 SER C C 13 174.5230 . A 57 SER CA C 13 59.0452 . A 57 SER CB C 13 63.8639 . A 57 SER N N 15 113.0061 . A 58 ALA H H 1 7.7263 . A 58 ALA HA H 1 4.3150 . A 58 ALA HB% H 1 1.4090 . A 58 ALA C C 13 176.3680 . A 58 ALA CA C 13 52.5466 . A 58 ALA CB C 13 19.4440 . A 58 ALA N N 15 124.0284 . A 59 LYS H H 1 7.5739 . A 59 LYS HA H 1 3.9990 . A 59 LYS HBx H 1 1.7980 . A 59 LYS HBy H 1 1.7980 . A 59 LYS C C 13 177.5350 . A 59 LYS CA C 13 57.8989 . A 59 LYS CB C 13 32.5073 . A 59 LYS CD C 13 29.2026 . A 59 LYS CE C 13 42.3002 . A 59 LYS CG C 13 24.6917 . A 59 LYS N N 15 118.1635 . A 60 GLY H H 1 8.5948 . A 60 GLY HAy H 1 4.1320 . A 60 GLY HAx H 1 3.9190 . A 60 GLY C C 13 173.8390 . A 60 GLY CA C 13 45.5503 . A 60 GLY N N 15 111.8953 . A 61 ARG H H 1 8.4372 . A 61 ARG HA H 1 4.5878 . A 61 ARG HBx H 1 1.7830 . A 61 ARG HBy H 1 2.0030 . A 61 ARG HDx H 1 3.2080 . A 61 ARG HDy H 1 3.2080 . A 61 ARG HGx H 1 1.5980 . A 61 ARG HGy H 1 1.5980 . A 61 ARG C C 13 174.6900 . A 61 ARG CA C 13 55.1289 . A 61 ARG CB C 13 31.8877 . A 61 ARG CD C 13 43.4826 . A 61 ARG CG C 13 27.0526 . A 61 ARG N N 15 120.0982 . A 62 GLN H H 1 8.1686 . A 62 GLN HA H 1 5.0948 . A 62 GLN HBx H 1 1.8950 . A 62 GLN HBy H 1 1.8950 . A 62 GLN HE2y H 1 7.5910 . A 62 GLN HE2x H 1 6.6810 . A 62 GLN HGx H 1 2.0950 . A 62 GLN HGy H 1 2.2840 . A 62 GLN C C 13 175.6095 . A 62 GLN CA C 13 54.9303 . A 62 GLN CB C 13 31.2250 . A 62 GLN CG C 13 34.0408 . A 62 GLN N N 15 117.5037 . A 62 GLN NE2 N 15 110.9460 . A 63 ILE H H 1 8.7948 . A 63 ILE HA H 1 4.6235 . A 63 ILE HB H 1 1.6210 . A 63 ILE HG1x H 1 1.0600 . A 63 ILE HG2% H 1 0.6880 . A 63 ILE C C 13 173.4190 . A 63 ILE CA C 13 58.6036 . A 63 ILE CB C 13 41.6904 . A 63 ILE CD1 C 13 12.9591 . A 63 ILE CG1 C 13 27.2102 . A 63 ILE CG2 C 13 17.7944 . A 63 ILE N N 15 121.2626 . A 64 GLU H H 1 8.8621 . A 64 GLU HA H 1 4.8106 . A 64 GLU HGx H 1 1.8610 . A 64 GLU HGy H 1 1.9960 . A 64 GLU C C 13 174.0990 . A 64 GLU CA C 13 55.4186 . A 64 GLU CB C 13 32.4232 . A 64 GLU CG C 13 37.4236 . A 64 GLU N N 15 125.0646 . A 65 VAL H H 1 8.7343 . A 65 VAL HA H 1 4.6895 . A 65 VAL C C 13 173.7680 . A 65 VAL CA C 13 60.7498 . A 65 VAL CB C 13 33.0129 . A 65 VAL CGy C 13 22.0790 . A 65 VAL CGx C 13 21.2935 . A 65 VAL N N 15 125.7867 . A 66 GLU H H 1 9.0018 . A 66 GLU HA H 1 5.2677 . A 66 GLU HBx H 1 1.7835 . A 66 GLU HBy H 1 1.7835 . A 66 GLU HGx H 1 1.9400 . A 66 GLU HGy H 1 1.9400 . A 66 GLU C C 13 174.0330 . A 66 GLU CA C 13 54.0957 . A 66 GLU CB C 13 34.0290 . A 66 GLU CG C 13 37.0024 . A 66 GLU N N 15 126.5888 . A 67 ALA H H 1 9.1944 . A 67 ALA HA H 1 5.7278 . A 67 ALA HB% H 1 1.1620 . A 67 ALA C C 13 175.6990 . A 67 ALA CA C 13 50.1409 . A 67 ALA CB C 13 24.2710 . A 67 ALA N N 15 127.4173 . A 68 THR H H 1 8.6601 . A 68 THR HA H 1 5.2649 . A 68 THR HB H 1 3.9310 . A 68 THR HG2% H 1 1.2370 . A 68 THR C C 13 174.2680 . A 68 THR CA C 13 61.3926 . A 68 THR CB C 13 72.1991 . A 68 THR CG2 C 13 21.6482 . A 68 THR N N 15 116.1798 . A 69 GLY H H 1 10.1069 . A 69 GLY HAx H 1 4.0780 . A 69 GLY HAy H 1 4.8314 . A 69 GLY CA C 13 45.0408 . A 69 GLY N N 15 119.1774 . A 70 PRO C C 13 178.7990 . A 70 PRO CA C 13 65.9474 . A 70 PRO CB C 13 33.0491 . A 70 PRO CG C 13 27.9666 . A 71 GLN H H 1 8.1833 . A 71 GLN HA H 1 5.0903 . A 71 GLN HBx H 1 1.6970 . A 71 GLN HBy H 1 1.6970 . A 71 GLN HE2y H 1 7.8100 . A 71 GLN HE2x H 1 7.0660 . A 71 GLN HGx H 1 2.4480 . A 71 GLN HGy H 1 2.4480 . A 71 GLN C C 13 175.9080 . A 71 GLN CA C 13 54.2973 . A 71 GLN CB C 13 29.0351 . A 71 GLN CG C 13 35.3886 . A 71 GLN N N 15 112.2195 . A 71 GLN NE2 N 15 112.3675 . A 72 GLU H H 1 7.7897 . A 72 GLU HA H 1 3.5240 . A 72 GLU C C 13 176.0560 . A 72 GLU CA C 13 59.7613 . A 72 GLU CB C 13 27.0344 . A 72 GLU CG C 13 34.7006 . A 72 GLU N N 15 117.9637 . A 73 GLU H H 1 8.3702 . A 73 GLU HA H 1 3.8418 . A 73 GLU HBx H 1 1.9630 . A 73 GLU HBy H 1 1.9630 . A 73 GLU HGx H 1 2.1870 . A 73 GLU HGy H 1 2.3800 . A 73 GLU C C 13 179.4510 . A 73 GLU CA C 13 60.5671 . A 73 GLU CB C 13 29.2461 . A 73 GLU CG C 13 37.2565 . A 73 GLU N N 15 119.3598 . A 74 GLU H H 1 8.8409 . A 74 GLU HA H 1 3.8188 . A 74 GLU C C 13 178.7300 . A 74 GLU CA C 13 59.6495 . A 74 GLU CB C 13 29.3300 . A 74 GLU CG C 13 37.2195 . A 74 GLU N N 15 121.3741 . A 75 ALA H H 1 8.1958 . A 75 ALA HA H 1 2.5819 . A 75 ALA HB% H 1 0.6690 . A 75 ALA C C 13 178.2500 . A 75 ALA CA C 13 54.2808 . A 75 ALA CB C 13 18.2795 . A 75 ALA N N 15 122.4409 . A 76 LEU H H 1 7.7413 . A 76 LEU HA H 1 3.5917 . A 76 LEU HBx H 1 1.3660 . A 76 LEU HBy H 1 1.7510 . A 76 LEU C C 13 177.9720 . A 76 LEU CA C 13 58.4689 . A 76 LEU CB C 13 41.8420 . A 76 LEU CDy C 13 26.1134 . A 76 LEU CDx C 13 24.3151 . A 76 LEU N N 15 116.5898 . A 77 ALA H H 1 7.4155 . A 77 ALA HA H 1 3.8727 . A 77 ALA HB% H 1 1.3630 . A 77 ALA C C 13 180.4440 . A 77 ALA CA C 13 54.9641 . A 77 ALA CB C 13 17.8123 . A 77 ALA N N 15 117.3819 . A 78 ALA H H 1 7.6183 . A 78 ALA HA H 1 4.0838 . A 78 ALA HB% H 1 1.4350 . A 78 ALA C C 13 179.9650 . A 78 ALA CA C 13 54.7984 . A 78 ALA CB C 13 19.1700 . A 78 ALA N N 15 120.4504 . A 79 VAL H H 1 7.9919 . A 79 VAL HA H 1 3.3045 . A 79 VAL HB H 1 1.9710 . A 79 VAL HGx% H 1 0.8720 . A 79 VAL HGy% H 1 0.6480 . A 79 VAL C C 13 177.2060 . A 79 VAL CA C 13 66.6762 . A 79 VAL CB C 13 31.4038 . A 79 VAL CGx C 13 22.6935 . A 79 VAL CGy C 13 22.6935 . A 79 VAL N N 15 119.7159 . A 80 ILE H H 1 8.2521 . A 80 ILE HA H 1 3.5541 . A 80 ILE HB H 1 1.9020 . A 80 ILE HG2% H 1 0.8570 . A 80 ILE C C 13 178.5010 . A 80 ILE CA C 13 64.5557 . A 80 ILE CB C 13 36.5846 . A 80 ILE CG1 C 13 28.1534 . A 80 ILE CG2 C 13 17.3669 . A 80 ILE N N 15 118.6959 . A 81 ALA H H 1 7.7181 . A 81 ALA HA H 1 4.1486 . A 81 ALA HB% H 1 1.4350 . A 81 ALA C C 13 180.4620 . A 81 ALA CA C 13 54.7651 . A 81 ALA CB C 13 17.9209 . A 81 ALA N N 15 120.1501 . A 82 LEU H H 1 7.5772 . A 82 LEU HA H 1 4.0259 . A 82 LEU HBy H 1 1.6810 . A 82 LEU C C 13 179.1630 . A 82 LEU CA C 13 57.6238 . A 82 LEU CB C 13 41.4787 . A 82 LEU CDy C 13 24.6215 . A 82 LEU N N 15 119.4728 . A 83 PHE H H 1 7.8449 . A 83 PHE HA H 1 4.5314 . A 83 PHE HBx H 1 3.0270 . A 83 PHE HBy H 1 3.2990 . A 83 PHE C C 13 176.3250 . A 83 PHE CA C 13 58.5530 . A 83 PHE CB C 13 38.6458 . A 83 PHE N N 15 116.1996 . A 84 ASN H H 1 7.9354 . A 84 ASN HA H 1 5.0004 . A 84 ASN HBx H 1 2.7830 . A 84 ASN HBy H 1 2.9610 . A 84 ASN HD2y H 1 7.4790 . A 84 ASN HD2x H 1 6.8600 . A 84 ASN C C 13 174.4840 . A 84 ASN CA C 13 53.3801 . A 84 ASN CB C 13 39.8112 . A 84 ASN N N 15 117.9653 . A 84 ASN ND2 N 15 111.2460 . A 85 SER H H 1 7.6083 . A 85 SER HA H 1 4.3068 . A 85 SER HBx H 1 3.9610 . A 85 SER HBy H 1 3.9610 . A 85 SER CA C 13 60.7118 . A 85 SER CB C 13 65.1670 . A 85 SER N N 15 121.2008 . 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 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 3 VAL HG11 A 4 LYS HEx 1.0 1.8 4.3 2 1 A 3 VAL HG21 A 4 LYS HEx 1.0 1.8 4.3 3 1 A 4 LYS HEy A 3 VAL HG21 1.0 1.8 4.3 4 1 A 3 VAL HG11 A 4 LYS HEy 1.0 1.8 4.3 5 2 A 3 VAL HB A 67 ALA HB% 1.0 1.8 5.5 6 3 A 68 THR HA A 3 VAL HG21 1.0 1.8 5.5 7 4 A 3 VAL HG11 A 72 GLU HGy 1.0 1.8 5.5 8 5 A 72 GLU HGy A 3 VAL HG21 1.0 1.8 3.8 9 6 A 73 GLU HGy A 3 VAL HG21 1.0 1.8 5.5 10 7 A 3 VAL HG21 A 73 GLU HGx 1.0 1.8 5.5 11 8 A 3 VAL HG11 A 73 GLU HGy 1.0 1.8 3.8 12 9 A 3 VAL HG11 A 73 GLU HGx 1.0 1.8 3.8 13 10 A 3 VAL HG11 A 73 GLU HA 1.0 1.8 3.8 14 11 A 73 GLU HA A 3 VAL HG21 1.0 1.8 3.2 15 12 A 4 LYS HA A 4 LYS HGx 1.0 1.8 3.8 16 12 A 4 LYS HGy A 4 LYS HA 1.0 1.8 3.8 17 13 A 4 LYS HBx A 65 VAL HG11 1.0 1.8 5.5 18 13 A 4 LYS HBy A 65 VAL HG11 1.0 1.8 5.5 19 13 A 65 VAL HG21 A 4 LYS HBx 1.0 1.8 5.5 20 13 A 4 LYS HBy A 65 VAL HG21 1.0 1.8 5.5 21 14 A 66 GLU HA A 4 LYS HBx 1.0 1.8 5.0 22 15 A 66 GLU HA A 4 LYS HGx 1.0 1.8 3.8 23 15 A 4 LYS HGy A 66 GLU HA 1.0 1.8 3.8 24 16 A 4 LYS HBy A 66 GLU HA 1.0 1.8 5.0 25 17 A 4 LYS HA A 66 GLU HGx 1.0 1.8 5.5 26 17 A 4 LYS HA A 66 GLU HGy 1.0 1.8 5.5 27 18 A 66 GLU HA A 4 LYS HBx 1.0 1.8 3.8 28 18 A 4 LYS HBy A 66 GLU HA 1.0 1.8 3.8 29 19 A 4 LYS HA A 66 GLU HA 1.0 1.8 2.7 30 20 A 4 LYS HA A 76 LEU HD11 1.0 1.8 5.5 31 21 A 4 LYS HA A 76 LEU HD21 1.0 1.8 2.7 32 21 A 4 LYS HA A 76 LEU HD11 1.0 1.8 2.7 33 22 A 76 LEU HD11 A 5 GLN HGx 1.0 1.8 6.0 34 22 A 76 LEU HD11 A 5 GLN HGy 1.0 1.8 6.0 35 23 A 5 GLN HBx A 76 LEU HD21 1.0 1.8 3.8 36 23 A 5 GLN HBy A 76 LEU HD21 1.0 1.8 3.8 37 23 A 76 LEU HD11 A 5 GLN HBx 1.0 1.8 3.8 38 23 A 76 LEU HD11 A 5 GLN HBy 1.0 1.8 3.8 39 24 A 5 GLN HGy A 76 LEU HD21 1.0 1.8 3.2 40 24 A 5 GLN HGx A 76 LEU HD21 1.0 1.8 3.2 41 24 A 76 LEU HD11 A 5 GLN HGx 1.0 1.8 3.2 42 24 A 76 LEU HD11 A 5 GLN HGy 1.0 1.8 3.2 43 25 A 80 ILE HD11 A 5 GLN HGx 1.0 1.8 4.3 44 25 A 5 GLN HGy A 80 ILE HD11 1.0 1.8 4.3 45 26 A 6 THR HG2% A 62 GLN HGx 1.0 1.8 5.5 46 27 A 6 THR HG2% A 62 GLN HBx 1.0 1.8 3.2 47 28 A 6 THR HA A 64 GLU HBy 1.0 1.8 5.0 48 29 A 6 THR HA A 64 GLU HBx 1.0 1.8 5.0 49 30 A 6 THR HG2% A 64 GLU HA 1.0 1.8 3.8 50 31 A 6 THR HA A 64 GLU HA 1.0 1.8 3.3 51 32 A 6 THR HG2% A 64 GLU HBx 1.0 1.8 3.2 52 33 A 7 VAL HA A 7 VAL HGx% 1.0 1.8 2.7 53 33 A 7 VAL HGy% A 7 VAL HA 1.0 1.8 2.7 54 34 A 7 VAL HB A 9 ILE HD1% 1.0 1.8 5.5 55 35 A 64 GLU HA A 7 VAL HGx% 1.0 1.8 5.0 56 35 A 64 GLU HA A 7 VAL HGy% 1.0 1.8 5.0 57 36 A 80 ILE HD11 A 7 VAL HA 1.0 1.8 5.5 58 37 A 80 ILE HD11 A 7 VAL HB 1.0 1.8 5.5 59 38 A 83 PHE HBy A 7 VAL HGx% 1.0 1.8 5.0 60 38 A 7 VAL HGy% A 83 PHE HBy 1.0 1.8 5.0 61 39 A 83 PHE HBx A 7 VAL HGx% 1.0 1.8 5.0 62 39 A 7 VAL HGy% A 83 PHE HBx 1.0 1.8 5.0 63 40 A 83 PHE HD% A 7 VAL HGx% 1.0 1.8 3.8 64 40 A 7 VAL HGy% A 83 PHE HD% 1.0 1.8 3.8 65 41 A 83 PHE HE% A 7 VAL HGx% 1.0 1.8 3.8 66 41 A 7 VAL HGy% A 83 PHE HE% 1.0 1.8 3.8 67 42 A 83 PHE HZ A 7 VAL HGx% 1.0 1.8 3.3 68 42 A 7 VAL HGy% A 83 PHE HZ 1.0 1.8 3.3 69 43 A 9 ILE HD1% A 9 ILE HB 1.0 1.8 5.5 70 44 A 9 ILE HD1% A 9 ILE HA 1.0 1.8 5.5 71 45 A 9 ILE HA A 9 ILE HG1x 1.0 1.8 3.8 72 45 A 9 ILE HA A 9 ILE HG1y 1.0 1.8 3.8 73 46 A 9 ILE HA A 9 ILE HG2% 1.0 1.8 3.2 74 47 A 11 ASN HA A 9 ILE HG1x 1.0 1.8 3.8 75 47 A 9 ILE HG1y A 11 ASN HA 1.0 1.8 3.8 76 48 A 9 ILE HG2% A 12 LYS HA 1.0 1.8 5.5 77 49 A 9 ILE HD1% A 13 LEU HBx 1.0 1.8 4.3 78 49 A 9 ILE HD1% A 13 LEU HBy 1.0 1.8 4.3 79 50 A 9 ILE HD1% A 15 MET HBy 1.0 1.8 5.5 80 51 A 9 ILE HB A 58 ALA HB% 1.0 1.8 5.5 81 52 A 9 ILE HD1% A 58 ALA HB% 1.0 1.8 4.3 82 53 A 9 ILE HB A 59 LYS HA 1.0 1.8 5.0 83 54 A 9 ILE HG2% A 62 GLN HA 1.0 1.8 5.5 84 55 A 62 GLN HA A 9 ILE HG1x 1.0 1.8 5.5 85 55 A 9 ILE HG1y A 62 GLN HA 1.0 1.8 5.5 86 56 A 83 PHE HD% A 9 ILE HG2% 1.0 1.8 6.0 87 57 A 9 ILE HD1% A 83 PHE HBx 1.0 1.8 5.5 88 58 A 9 ILE HD1% A 83 PHE HE% 1.0 1.8 6.0 89 59 A 83 PHE HE% A 9 ILE HG2% 1.0 1.8 6.0 90 60 A 9 ILE HD1% A 83 PHE HBy 1.0 1.8 5.5 91 61 A 9 ILE HD1% A 83 PHE HD% 1.0 1.8 6.0 92 62 A 10 THR HG2% A 10 THR HA 1.0 1.8 3.8 93 63 A 36 LEU HA A 13 LEU HDx% 1.0 1.8 3.3 94 63 A 13 LEU HDy% A 36 LEU HA 1.0 1.8 3.3 95 64 A 37 ARG HA A 13 LEU HDx% 1.0 1.8 3.3 96 64 A 13 LEU HDy% A 37 ARG HA 1.0 1.8 3.3 97 65 A 83 PHE HD% A 13 LEU HDx% 1.0 1.8 5.5 98 65 A 83 PHE HD% A 13 LEU HDy% 1.0 1.8 5.5 99 66 A 83 PHE HE% A 13 LEU HDx% 1.0 1.8 3.8 100 66 A 83 PHE HE% A 13 LEU HDy% 1.0 1.8 3.8 101 67 A 83 PHE HZ A 13 LEU HDx% 1.0 1.8 3.3 102 67 A 83 PHE HZ A 13 LEU HDy% 1.0 1.8 3.3 103 68 A 15 MET HA A 52 LEU HD21 1.0 1.8 5.0 104 68 A 15 MET HA A 52 LEU HD11 1.0 1.8 5.0 105 69 A 19 PRO HDy A 16 HIS HBy 1.0 1.8 5.5 106 69 A 16 HIS HBy A 19 PRO HDx 1.0 1.8 5.5 107 70 A 19 PRO HDy A 16 HIS HBx 1.0 1.8 5.5 108 70 A 16 HIS HBx A 19 PRO HDx 1.0 1.8 5.5 109 71 A 17 ALA HA A 19 PRO HDx 1.0 1.8 5.5 110 71 A 19 PRO HDy A 17 ALA HA 1.0 1.8 5.5 111 72 A 17 ALA HB% A 19 PRO HDx 1.0 1.8 6.0 112 72 A 19 PRO HDy A 17 ALA HB% 1.0 1.8 6.0 113 73 A 17 ALA HA A 20 ALA HB% 1.0 1.8 3.8 114 74 A 17 ALA HB% A 21 MET HGy 1.0 1.8 5.5 115 75 A 17 ALA HB% A 21 MET HGx 1.0 1.8 5.5 116 76 A 19 PRO HBy A 19 PRO HDx 1.0 1.8 5.5 117 76 A 19 PRO HDy A 19 PRO HBy 1.0 1.8 5.5 118 77 A 19 PRO HA A 78 ALA HB% 1.0 1.8 5.5 119 78 A 20 ALA HA A 23 LEU HBy 1.0 1.8 5.0 120 79 A 20 ALA HB% A 24 PHE HE% 1.0 1.8 6.0 121 80 A 20 ALA HB% A 24 PHE HD% 1.0 1.8 6.0 122 81 A 20 ALA HA A 52 LEU HD21 1.0 1.8 3.3 123 81 A 52 LEU HD11 A 20 ALA HA 1.0 1.8 3.3 124 82 A 24 PHE HD% A 21 MET HA 1.0 1.8 5.5 125 83 A 21 MET HA A 24 PHE HBx 1.0 1.8 3.8 126 83 A 21 MET HA A 24 PHE HBy 1.0 1.8 3.8 127 84 A 21 MET HGy A 52 LEU HBx 1.0 1.8 5.5 128 84 A 21 MET HGy A 52 LEU HBy 1.0 1.8 5.5 129 85 A 21 MET HGx A 52 LEU HBx 1.0 1.8 5.5 130 85 A 21 MET HGx A 52 LEU HBy 1.0 1.8 5.5 131 86 A 21 MET HGx A 52 LEU HD21 1.0 1.8 3.3 132 86 A 52 LEU HD11 A 21 MET HGx 1.0 1.8 3.3 133 87 A 21 MET HGy A 52 LEU HD21 1.0 1.8 3.3 134 87 A 52 LEU HD11 A 21 MET HGy 1.0 1.8 3.3 135 88 A 22 LYS HA A 25 GLU HBx 1.0 1.8 3.2 136 88 A 22 LYS HA A 25 GLU HBy 1.0 1.8 3.2 137 89 A 23 LEU HA A 23 LEU HDy% 1.0 1.8 2.7 138 89 A 23 LEU HDx% A 23 LEU HA 1.0 1.8 2.7 139 90 A 24 PHE HE% A 23 LEU HDy% 1.0 1.8 6.0 140 91 A 24 PHE HD% A 23 LEU HA 1.0 1.8 5.5 141 92 A 24 PHE HD% A 23 LEU HDy% 1.0 1.8 6.0 142 93 A 23 LEU HA A 26 LEU HBx 1.0 1.8 3.8 143 93 A 23 LEU HA A 26 LEU HBy 1.0 1.8 3.8 144 94 A 23 LEU HA A 34 VAL HGy% 1.0 1.8 3.8 145 95 A 83 PHE HE% A 23 LEU HDy% 1.0 1.8 6.0 146 96 A 83 PHE HZ A 23 LEU HDy% 1.0 1.8 3.8 147 97 A 83 PHE HZ A 23 LEU HDx% 1.0 1.8 3.8 148 98 A 24 PHE HD% A 24 PHE HA 1.0 1.8 3.8 149 99 A 24 PHE HD% A 24 PHE HBx 1.0 1.8 4.3 150 99 A 24 PHE HD% A 24 PHE HBy 1.0 1.8 4.3 151 100 A 24 PHE HA A 27 MET HBx 1.0 1.8 5.5 152 100 A 24 PHE HA A 27 MET HBy 1.0 1.8 5.5 153 101 A 24 PHE HE% A 46 ALA HB% 1.0 1.8 6.0 154 102 A 24 PHE HD% A 46 ALA HB% 1.0 1.8 6.0 155 103 A 24 PHE HA A 47 ASN HBx 1.0 1.8 5.0 156 104 A 24 PHE HD% A 47 ASN HA 1.0 1.8 5.5 157 105 A 24 PHE HZ A 49 VAL HG21 1.0 1.8 5.5 158 106 A 24 PHE HD% A 49 VAL HG21 1.0 1.8 6.0 159 107 A 24 PHE HZ A 49 VAL HA 1.0 1.8 5.0 160 108 A 52 LEU HD11 A 24 PHE HD% 1.0 1.8 6.0 161 109 A 24 PHE HD% A 52 LEU HD21 1.0 1.8 6.0 162 110 A 26 LEU HA A 26 LEU HDy% 1.0 1.8 2.7 163 110 A 26 LEU HDx% A 26 LEU HA 1.0 1.8 2.7 164 111 A 27 MET HA A 26 LEU HDy% 1.0 1.8 5.5 165 112 A 30 PHE HE% A 26 LEU HBx 1.0 1.8 6.0 166 112 A 26 LEU HBy A 30 PHE HE% 1.0 1.8 6.0 167 113 A 30 PHE HD% A 26 LEU HDy% 1.0 1.8 3.8 168 113 A 26 LEU HDx% A 30 PHE HD% 1.0 1.8 3.8 169 114 A 27 MET HA A 30 PHE HD% 1.0 1.8 3.8 170 115 A 28 GLN HA A 28 GLN HGx 1.0 1.8 3.8 171 115 A 28 GLN HGy A 28 GLN HA 1.0 1.8 3.8 172 116 A 30 PHE HD% A 30 PHE HBx 1.0 1.8 4.3 173 116 A 30 PHE HD% A 30 PHE HBy 1.0 1.8 4.3 174 117 A 30 PHE HD% A 30 PHE HA 1.0 1.8 3.8 175 118 A 30 PHE HA A 71 GLN HBx 1.0 1.8 5.0 176 119 A 30 PHE HD% A 71 GLN HBx 1.0 1.8 5.5 177 120 A 30 PHE HBy A 71 GLN HBx 1.0 1.8 6.0 178 120 A 30 PHE HBx A 71 GLN HBx 1.0 1.8 6.0 179 120 A 71 GLN HBy A 30 PHE HBx 1.0 1.8 6.0 180 120 A 30 PHE HBy A 71 GLN HBy 1.0 1.8 6.0 181 121 A 30 PHE HD% A 71 GLN HBy 1.0 1.8 5.5 182 122 A 30 PHE HA A 71 GLN HGy 1.0 1.8 5.5 183 122 A 30 PHE HA A 71 GLN HGx 1.0 1.8 5.5 184 123 A 30 PHE HD% A 74 GLU HGx 1.0 1.8 5.5 185 124 A 30 PHE HD% A 74 GLU HGy 1.0 1.8 5.5 186 125 A 30 PHE HD% A 74 GLU HBx 1.0 1.8 4.3 187 125 A 30 PHE HD% A 74 GLU HBy 1.0 1.8 4.3 188 126 A 30 PHE HA A 75 ALA HB% 1.0 1.8 5.5 189 127 A 75 ALA HB% A 30 PHE HBx 1.0 1.8 4.3 190 127 A 30 PHE HBy A 75 ALA HB% 1.0 1.8 4.3 191 128 A 30 PHE HE% A 75 ALA HB% 1.0 1.8 4.3 192 129 A 30 PHE HE% A 75 ALA HA 1.0 1.8 3.8 193 130 A 78 ALA HB% A 30 PHE HZ 1.0 1.8 3.2 194 131 A 31 ASP HBy A 70 PRO HBy 1.0 1.8 5.5 195 131 A 31 ASP HBy A 70 PRO HBx 1.0 1.8 5.5 196 132 A 32 ALA HB% A 67 ALA HA 1.0 1.8 5.5 197 133 A 32 ALA HB% A 69 GLY HAy 1.0 1.8 5.5 198 134 A 32 ALA HA A 72 GLU HBy 1.0 1.8 5.0 199 135 A 32 ALA HB% A 72 GLU HA 1.0 1.8 3.2 200 136 A 68 THR HB A 33 GLU HBx 1.0 1.8 3.3 201 137 A 34 VAL HA A 34 VAL HGy% 1.0 1.8 3.8 202 138 A 34 VAL HA A 34 VAL HGy% 1.0 1.8 2.7 203 138 A 34 VAL HA A 34 VAL HGx% 1.0 1.8 2.7 204 139 A 46 ALA HB% A 34 VAL HA 1.0 1.8 5.5 205 140 A 46 ALA HB% A 34 VAL HB 1.0 1.8 3.8 206 141 A 67 ALA HA A 34 VAL HB 1.0 1.8 5.0 207 142 A 67 ALA HB% A 34 VAL HA 1.0 1.8 3.8 208 143 A 67 ALA HA A 34 VAL HGy% 1.0 1.8 3.8 209 144 A 67 ALA HA A 34 VAL HA 1.0 1.8 2.7 210 145 A 67 ALA HA A 34 VAL HGy% 1.0 1.8 3.3 211 145 A 67 ALA HA A 34 VAL HGx% 1.0 1.8 3.3 212 146 A 35 LEU HA A 35 LEU HD11 1.0 1.8 3.3 213 146 A 35 LEU HD21 A 35 LEU HA 1.0 1.8 3.3 214 147 A 37 ARG HBx A 35 LEU HD11 1.0 1.8 5.0 215 147 A 35 LEU HD21 A 37 ARG HBx 1.0 1.8 5.0 216 148 A 35 LEU HD21 A 37 ARG HBy 1.0 1.8 5.0 217 148 A 35 LEU HD11 A 37 ARG HBy 1.0 1.8 5.0 218 149 A 35 LEU HA A 45 GLU HA 1.0 1.8 5.0 219 150 A 45 GLU HA A 35 LEU HBx 1.0 1.8 5.5 220 150 A 45 GLU HA A 35 LEU HBy 1.0 1.8 5.5 221 151 A 45 GLU HA A 35 LEU HD11 1.0 1.8 3.3 222 151 A 35 LEU HD21 A 45 GLU HA 1.0 1.8 3.3 223 152 A 35 LEU HD21 A 45 GLU HGx 1.0 1.8 3.8 224 152 A 35 LEU HD11 A 45 GLU HGx 1.0 1.8 3.8 225 152 A 45 GLU HGy A 35 LEU HD11 1.0 1.8 3.8 226 152 A 35 LEU HD21 A 45 GLU HGy 1.0 1.8 3.8 227 153 A 46 ALA HA A 35 LEU HBx 1.0 1.8 3.2 228 153 A 35 LEU HBy A 46 ALA HA 1.0 1.8 3.2 229 154 A 36 LEU HA A 36 LEU HDy% 1.0 1.8 3.8 230 155 A 36 LEU HA A 36 LEU HDx% 1.0 1.8 3.2 231 156 A 46 ALA HA A 36 LEU HDy% 1.0 1.8 5.5 232 157 A 46 ALA HA A 36 LEU HDx% 1.0 1.8 3.2 233 158 A 36 LEU HA A 63 ILE HG1y 1.0 1.8 5.5 234 158 A 36 LEU HA A 63 ILE HG1x 1.0 1.8 5.5 235 159 A 83 PHE HZ A 36 LEU HDy% 1.0 1.8 5.5 236 160 A 83 PHE HD% A 36 LEU HDy% 1.0 1.8 6.0 237 161 A 83 PHE HE% A 36 LEU HDy% 1.0 1.8 6.0 238 162 A 37 ARG HDy A 37 ARG HBx 1.0 1.8 3.8 239 162 A 37 ARG HBx A 37 ARG HDx 1.0 1.8 3.8 240 163 A 37 ARG HDy A 37 ARG HBy 1.0 1.8 3.8 241 163 A 37 ARG HBy A 37 ARG HDx 1.0 1.8 3.8 242 164 A 37 ARG HA A 37 ARG HGx 1.0 1.8 3.3 243 165 A 64 GLU HBx A 37 ARG HBx 1.0 1.8 3.8 244 165 A 37 ARG HBx A 64 GLU HBy 1.0 1.8 3.8 245 166 A 64 GLU HBx A 37 ARG HBy 1.0 1.8 3.8 246 166 A 37 ARG HBy A 64 GLU HBy 1.0 1.8 3.8 247 167 A 38 ASN HA A 63 ILE HB 1.0 1.8 5.0 248 168 A 38 ASN HBx A 63 ILE HD11 1.0 1.8 5.5 249 169 A 38 ASN HA A 63 ILE HG2% 1.0 1.8 3.8 250 170 A 42 THR HG2% A 42 THR HA 1.0 1.8 3.2 251 171 A 42 THR HG2% A 55 LEU HBx 1.0 1.8 4.3 252 171 A 42 THR HG2% A 55 LEU HBy 1.0 1.8 4.3 253 172 A 42 THR HG2% A 55 LEU HD21 1.0 1.8 3.2 254 172 A 42 THR HG2% A 55 LEU HD11 1.0 1.8 3.2 255 173 A 44 ALA HB% A 51 ALA HA 1.0 1.8 3.8 256 174 A 45 GLU HBy A 48 SER HBy 1.0 1.8 5.0 257 175 A 45 GLU HBy A 48 SER HBx 1.0 1.8 5.0 258 176 A 45 GLU HBx A 48 SER HBx 1.0 1.8 5.0 259 177 A 46 ALA HB% A 47 ASN HA 1.0 1.8 5.5 260 178 A 51 ALA HB% A 48 SER HBy 1.0 1.8 5.5 261 179 A 51 ALA HB% A 48 SER HBx 1.0 1.8 5.5 262 180 A 49 VAL HA A 49 VAL HG21 1.0 1.8 2.7 263 180 A 49 VAL HA A 49 VAL HG11 1.0 1.8 2.7 264 181 A 49 VAL HA A 52 LEU HBx 1.0 1.8 5.0 265 182 A 52 LEU HBy A 49 VAL HA 1.0 1.8 3.3 266 183 A 51 ALA HA A 50 ILE HG2% 1.0 1.8 3.8 267 184 A 50 ILE HA A 53 LEU HBx 1.0 1.8 5.0 268 185 A 50 ILE HA A 53 LEU HBy 1.0 1.8 5.0 269 186 A 51 ALA HA A 54 MET HBx 1.0 1.8 3.8 270 186 A 51 ALA HA A 54 MET HBy 1.0 1.8 3.8 271 187 A 52 LEU HA A 55 LEU HBx 1.0 1.8 3.2 272 187 A 55 LEU HBy A 52 LEU HA 1.0 1.8 3.2 273 188 A 83 PHE HZ A 52 LEU HD11 1.0 1.8 5.5 274 189 A 83 PHE HE% A 52 LEU HD21 1.0 1.8 6.0 275 190 A 83 PHE HD% A 52 LEU HD21 1.0 1.8 4.3 276 191 A 53 LEU HA A 53 LEU HD11 1.0 1.8 2.7 277 191 A 53 LEU HD21 A 53 LEU HA 1.0 1.8 2.7 278 192 A 53 LEU HA A 56 ASP HBy 1.0 1.8 3.8 279 192 A 53 LEU HA A 56 ASP HBx 1.0 1.8 3.8 280 193 A 58 ALA HB% A 55 LEU HA 1.0 1.8 3.8 281 194 A 58 ALA HA A 61 ARG HBy 1.0 1.8 5.0 282 195 A 58 ALA HA A 61 ARG HGx 1.0 1.8 3.8 283 195 A 58 ALA HA A 61 ARG HGy 1.0 1.8 3.8 284 196 A 58 ALA HA A 61 ARG HDx 1.0 1.8 3.8 285 196 A 58 ALA HA A 61 ARG HDy 1.0 1.8 3.8 286 197 A 58 ALA HA A 61 ARG HBx 1.0 1.8 3.3 287 198 A 63 ILE HD11 A 58 ALA HA 1.0 1.8 5.5 288 199 A 61 ARG HBx A 61 ARG HDx 1.0 1.8 5.5 289 199 A 61 ARG HDy A 61 ARG HBx 1.0 1.8 5.5 290 200 A 62 GLN HGx A 62 GLN HA 1.0 1.8 5.0 291 201 A 83 PHE HZ A 63 ILE HD11 1.0 1.8 5.5 292 202 A 83 PHE HE% A 63 ILE HG2% 1.0 1.8 6.0 293 203 A 64 GLU HA A 64 GLU HGx 1.0 1.8 3.2 294 203 A 64 GLU HA A 64 GLU HGy 1.0 1.8 3.2 295 204 A 66 GLU HA A 66 GLU HGx 1.0 1.8 3.8 296 204 A 66 GLU HA A 66 GLU HGy 1.0 1.8 3.8 297 205 A 66 GLU HA A 76 LEU HD21 1.0 1.8 3.3 298 205 A 66 GLU HA A 76 LEU HD11 1.0 1.8 3.3 299 206 A 67 ALA HB% A 72 GLU HGy 1.0 1.8 5.5 300 207 A 67 ALA HB% A 72 GLU HBy 1.0 1.8 3.8 301 208 A 67 ALA HB% A 72 GLU HA 1.0 1.8 3.2 302 209 A 67 ALA HB% A 76 LEU HD21 1.0 1.8 3.2 303 209 A 67 ALA HB% A 76 LEU HD11 1.0 1.8 3.2 304 210 A 68 THR HA A 68 THR HG2% 1.0 1.8 3.8 305 211 A 68 THR HG2% A 69 GLY HAx 1.0 1.8 5.5 306 212 A 68 THR HA A 72 GLU HGx 1.0 1.8 5.0 307 213 A 68 THR HA A 72 GLU HBx 1.0 1.8 5.0 308 214 A 68 THR HA A 72 GLU HBy 1.0 1.8 3.3 309 215 A 69 GLY HAy A 70 PRO HGx 1.0 1.8 5.5 310 215 A 69 GLY HAy A 70 PRO HGy 1.0 1.8 5.5 311 216 A 69 GLY HAx A 70 PRO HDx 1.0 1.8 3.2 312 216 A 69 GLY HAx A 70 PRO HDy 1.0 1.8 3.2 313 217 A 69 GLY HAy A 70 PRO HDx 1.0 1.8 3.8 314 217 A 69 GLY HAy A 70 PRO HDy 1.0 1.8 3.8 315 218 A 70 PRO HA A 70 PRO HDx 1.0 1.8 5.5 316 218 A 70 PRO HDy A 70 PRO HA 1.0 1.8 5.5 317 219 A 71 GLN HA A 71 GLN HGy 1.0 1.8 5.0 318 220 A 71 GLN HGx A 71 GLN HA 1.0 1.8 5.0 319 221 A 72 GLU HA A 72 GLU HGx 1.0 1.8 5.0 320 222 A 72 GLU HGy A 72 GLU HA 1.0 1.8 5.0 321 223 A 75 ALA HB% A 72 GLU HA 1.0 1.8 3.2 322 224 A 73 GLU HA A 73 GLU HGx 1.0 1.8 3.8 323 224 A 73 GLU HA A 73 GLU HGy 1.0 1.8 3.8 324 225 A 73 GLU HA A 76 LEU HBx 1.0 1.8 5.0 325 226 A 73 GLU HA A 76 LEU HD11 1.0 1.8 5.5 326 227 A 73 GLU HA A 76 LEU HBy 1.0 1.8 3.3 327 228 A 74 GLU HGx A 74 GLU HA 1.0 1.8 2.7 328 229 A 74 GLU HA A 77 ALA HB% 1.0 1.8 3.2 329 230 A 78 ALA HB% A 75 ALA HA 1.0 1.8 3.8 330 231 A 76 LEU HA A 76 LEU HD21 1.0 1.8 2.7 331 231 A 76 LEU HD11 A 76 LEU HA 1.0 1.8 2.7 332 232 A 76 LEU HA A 79 VAL HB 1.0 1.8 3.3 333 233 A 77 ALA HA A 80 ILE HB 1.0 1.8 3.3 334 234 A 80 ILE HD11 A 77 ALA HA 1.0 1.8 3.8 335 235 A 77 ALA HA A 80 ILE HG2% 1.0 1.8 3.8 336 236 A 79 VAL HA A 79 VAL HGy% 1.0 1.8 3.3 337 236 A 79 VAL HA A 79 VAL HGx% 1.0 1.8 3.3 338 237 A 79 VAL HA A 79 VAL HGy% 1.0 1.8 3.2 339 238 A 79 VAL HA A 79 VAL HGx% 1.0 1.8 3.2 340 239 A 80 ILE HA A 79 VAL HGy% 1.0 1.8 5.0 341 239 A 79 VAL HGx% A 80 ILE HA 1.0 1.8 5.0 342 240 A 79 VAL HA A 82 LEU HBx 1.0 1.8 3.3 343 241 A 79 VAL HA A 82 LEU HBy 1.0 1.8 3.3 344 242 A 83 PHE HD% A 79 VAL HGy% 1.0 1.8 5.5 345 242 A 83 PHE HD% A 79 VAL HGx% 1.0 1.8 5.5 346 243 A 83 PHE HE% A 79 VAL HGy% 1.0 1.8 3.8 347 243 A 83 PHE HE% A 79 VAL HGx% 1.0 1.8 3.8 348 244 A 80 ILE HD11 A 80 ILE HA 1.0 1.8 3.8 349 245 A 80 ILE HG2% A 80 ILE HA 1.0 1.8 3.2 350 246 A 80 ILE HG2% A 81 ALA HA 1.0 1.8 5.5 351 247 A 83 PHE HA A 80 ILE HG1y 1.0 1.8 5.0 352 248 A 80 ILE HG2% A 83 PHE HA 1.0 1.8 5.5 353 249 A 83 PHE HD% A 80 ILE HA 1.0 1.8 5.5 354 250 A 83 PHE HBx A 80 ILE HA 1.0 1.8 3.3 355 251 A 83 PHE HBy A 80 ILE HA 1.0 1.8 3.3 356 252 A 83 PHE HD% A 81 ALA HB% 1.0 1.8 6.0 357 253 A 81 ALA HA A 84 ASN HBy 1.0 1.8 5.0 358 254 A 81 ALA HA A 84 ASN HBx 1.0 1.8 3.3 359 255 A 82 LEU HD21 A 84 ASN HBy 1.0 1.8 5.5 360 255 A 82 LEU HD11 A 84 ASN HBy 1.0 1.8 5.5 361 255 A 84 ASN HBx A 82 LEU HD11 1.0 1.8 5.5 362 255 A 82 LEU HD21 A 84 ASN HBx 1.0 1.8 5.5 363 256 A 83 PHE HBx A 83 PHE HD% 1.0 1.8 5.5 364 257 A 83 PHE HBy A 83 PHE HD% 1.0 1.8 5.5 365 258 A 83 PHE HD% A 83 PHE HA 1.0 1.8 3.8 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 2 THR HB A 3 VAL H 1.0 1.8 3.5 2 2 A 3 VAL H A 2 THR HG21 1.0 1.8 3.4 3 3 A 3 VAL H A 2 THR HA 1.0 1.8 2.9 4 4 A 2 THR HB A 4 LYS H 1.0 1.8 3.5 5 5 A 2 THR HA A 67 ALA H 1.0 1.8 5.0 6 6 A 3 VAL HB A 3 VAL H 1.0 1.8 3.5 7 7 A 3 VAL HG11 A 3 VAL H 1.0 1.8 4.0 8 8 A 3 VAL H A 3 VAL HG21 1.0 1.8 3.4 9 9 A 3 VAL HG11 A 4 LYS H 1.0 1.8 4.0 10 10 A 3 VAL HB A 4 LYS H 1.0 1.8 2.9 11 11 A 4 LYS H A 3 VAL HA 1.0 1.8 2.9 12 12 A 3 VAL H A 5 GLN HGx 1.0 1.8 5.5 13 12 A 5 GLN HGy A 3 VAL H 1.0 1.8 5.5 14 13 A 3 VAL H A 66 GLU HGx 1.0 1.8 4.0 15 13 A 66 GLU HGy A 3 VAL H 1.0 1.8 4.0 16 14 A 3 VAL H A 66 GLU HBx 1.0 1.8 4.0 17 14 A 3 VAL H A 66 GLU HBy 1.0 1.8 4.0 18 15 A 67 ALA H A 3 VAL HA 1.0 1.8 6.0 19 16 A 67 ALA HA A 3 VAL H 1.0 1.8 5.0 20 17 A 3 VAL HG11 A 67 ALA H 1.0 1.8 5.5 21 18 A 3 VAL H A 67 ALA H 1.0 1.8 2.9 22 19 A 68 THR HA A 3 VAL H 1.0 1.8 3.5 23 20 A 4 LYS HBy A 4 LYS H 1.0 1.8 3.5 24 21 A 4 LYS H A 4 LYS HBx 1.0 1.8 3.5 25 22 A 4 LYS H A 4 LYS HGx 1.0 1.8 4.0 26 22 A 4 LYS HGy A 4 LYS H 1.0 1.8 4.0 27 23 A 4 LYS H A 5 GLN HA 1.0 1.8 3.5 28 24 A 5 GLN H A 4 LYS HGx 1.0 1.8 4.0 29 24 A 4 LYS HGy A 5 GLN H 1.0 1.8 4.0 30 25 A 4 LYS H A 5 GLN HBx 1.0 1.8 3.5 31 26 A 5 GLN H A 4 LYS HBx 1.0 1.8 3.5 32 27 A 4 LYS HA A 5 GLN H 1.0 1.8 2.9 33 28 A 65 VAL H A 4 LYS HBx 1.0 1.8 5.0 34 29 A 4 LYS HA A 65 VAL H 1.0 1.8 5.0 35 30 A 66 GLU HA A 4 LYS H 1.0 1.8 5.0 36 31 A 4 LYS HA A 66 GLU H 1.0 1.8 5.0 37 32 A 67 ALA H A 4 LYS HBx 1.0 1.8 5.0 38 33 A 4 LYS H A 67 ALA H 1.0 1.8 3.5 39 34 A 4 LYS H A 76 LEU HD21 1.0 1.8 3.5 40 34 A 76 LEU HD11 A 4 LYS H 1.0 1.8 3.5 41 35 A 5 GLN H A 5 GLN HGx 1.0 1.8 4.0 42 35 A 5 GLN HGy A 5 GLN H 1.0 1.8 4.0 43 36 A 5 GLN H A 5 GLN HBx 1.0 1.8 2.9 44 37 A 5 GLN HBy A 6 THR H 1.0 1.8 3.5 45 38 A 6 THR H A 5 GLN HBx 1.0 1.8 3.5 46 39 A 6 THR H A 5 GLN HGx 1.0 1.8 3.4 47 39 A 5 GLN HGy A 6 THR H 1.0 1.8 3.4 48 40 A 64 GLU HA A 5 GLN H 1.0 1.8 5.0 49 41 A 65 VAL H A 5 GLN HBx 1.0 1.8 3.5 50 42 A 5 GLN HA A 65 VAL H 1.0 1.8 3.5 51 43 A 5 GLN H A 65 VAL H 1.0 1.8 2.9 52 44 A 5 GLN H A 65 VAL HG11 1.0 1.8 2.9 53 44 A 65 VAL HG21 A 5 GLN H 1.0 1.8 2.9 54 45 A 66 GLU HA A 5 GLN H 1.0 1.8 3.5 55 46 A 80 ILE HD11 A 5 GLN HE2y 1.0 1.8 5.5 56 47 A 80 ILE HD11 A 5 GLN HE2x 1.0 1.8 5.5 57 48 A 80 ILE HG2% A 5 GLN HE2y 1.0 1.8 5.5 58 49 A 80 ILE HG2% A 5 GLN HE2x 1.0 1.8 3.8 59 50 A 6 THR HG2% A 6 THR H 1.0 1.8 4.0 60 51 A 6 THR H A 6 THR HB 1.0 1.8 2.9 61 52 A 6 THR H A 7 VAL H 1.0 1.8 5.0 62 53 A 6 THR H A 7 VAL HGx% 1.0 1.8 5.0 63 53 A 7 VAL HGy% A 6 THR H 1.0 1.8 5.0 64 54 A 6 THR HB A 7 VAL H 1.0 1.8 3.5 65 55 A 6 THR HA A 7 VAL H 1.0 1.8 2.9 66 56 A 7 VAL HA A 6 THR H 1.0 1.8 2.9 67 57 A 6 THR HG2% A 62 GLN H 1.0 1.8 6.5 68 58 A 6 THR HG2% A 62 GLN HE2x 1.0 1.8 5.5 69 59 A 6 THR HG2% A 62 GLN HE2y 1.0 1.8 5.5 70 60 A 6 THR HA A 64 GLU H 1.0 1.8 3.5 71 61 A 6 THR H A 65 VAL HB 1.0 1.8 5.0 72 62 A 6 THR HA A 65 VAL H 1.0 1.8 3.5 73 63 A 7 VAL HB A 7 VAL H 1.0 1.8 3.5 74 64 A 7 VAL H A 7 VAL HGx% 1.0 1.8 2.9 75 64 A 7 VAL HGy% A 7 VAL H 1.0 1.8 2.9 76 65 A 7 VAL H A 8 GLU H 1.0 1.8 3.5 77 66 A 8 GLU H A 7 VAL HGx% 1.0 1.8 2.9 78 66 A 7 VAL HGy% A 8 GLU H 1.0 1.8 2.9 79 67 A 7 VAL HA A 8 GLU H 1.0 1.8 2.9 80 68 A 7 VAL H A 63 ILE HA 1.0 1.8 5.0 81 69 A 7 VAL H A 63 ILE HG1y 1.0 1.8 5.0 82 70 A 63 ILE HB A 7 VAL H 1.0 1.8 5.0 83 71 A 63 ILE HD11 A 7 VAL H 1.0 1.8 5.5 84 72 A 63 ILE HG1x A 7 VAL H 1.0 1.8 2.9 85 73 A 64 GLU HA A 7 VAL H 1.0 1.8 3.5 86 74 A 65 VAL H A 7 VAL H 1.0 1.8 2.9 87 75 A 83 PHE H A 7 VAL HGx% 1.0 1.8 3.5 88 75 A 7 VAL HGy% A 83 PHE H 1.0 1.8 3.5 89 76 A 84 ASN H A 7 VAL HGx% 1.0 1.8 3.5 90 76 A 7 VAL HGy% A 84 ASN H 1.0 1.8 3.5 91 77 A 85 SER H A 7 VAL HGx% 1.0 1.8 5.0 92 77 A 7 VAL HGy% A 85 SER H 1.0 1.8 5.0 93 78 A 8 GLU H A 8 GLU HGx 1.0 1.8 3.5 94 79 A 8 GLU H A 8 GLU HBx 1.0 1.8 3.4 95 79 A 8 GLU H A 8 GLU HBy 1.0 1.8 3.4 96 80 A 9 ILE H A 8 GLU HBx 1.0 1.8 4.0 97 80 A 8 GLU HBy A 9 ILE H 1.0 1.8 4.0 98 81 A 9 ILE H A 8 GLU HA 1.0 1.8 2.9 99 82 A 62 GLN HA A 8 GLU H 1.0 1.8 5.0 100 83 A 9 ILE HD1% A 9 ILE H 1.0 1.8 4.0 101 84 A 9 ILE HG2% A 9 ILE H 1.0 1.8 4.0 102 85 A 9 ILE H A 9 ILE HG1x 1.0 1.8 3.4 103 85 A 9 ILE HG1y A 9 ILE H 1.0 1.8 3.4 104 86 A 9 ILE HB A 9 ILE H 1.0 1.8 2.9 105 87 A 9 ILE HD1% A 10 THR H 1.0 1.8 5.5 106 88 A 9 ILE HB A 10 THR H 1.0 1.8 3.5 107 89 A 9 ILE HA A 10 THR H 1.0 1.8 3.5 108 90 A 9 ILE HD1% A 11 ASN H 1.0 1.8 6.5 109 91 A 9 ILE HG2% A 12 LYS H 1.0 1.8 6.5 110 92 A 12 LYS H A 9 ILE HG1x 1.0 1.8 5.5 111 92 A 9 ILE HG1y A 12 LYS H 1.0 1.8 5.5 112 93 A 59 LYS H A 9 ILE HG1x 1.0 1.8 6.5 113 93 A 9 ILE HG1y A 59 LYS H 1.0 1.8 6.5 114 94 A 9 ILE HG2% A 59 LYS H 1.0 1.8 5.5 115 95 A 9 ILE H A 60 GLY HAx 1.0 1.8 6.0 116 96 A 60 GLY H A 9 ILE HG1x 1.0 1.8 6.5 117 96 A 9 ILE HG1y A 60 GLY H 1.0 1.8 6.5 118 97 A 9 ILE HG2% A 60 GLY H 1.0 1.8 5.5 119 98 A 9 ILE HB A 60 GLY H 1.0 1.8 3.5 120 99 A 9 ILE H A 61 ARG HGx 1.0 1.8 5.5 121 99 A 61 ARG HGy A 9 ILE H 1.0 1.8 5.5 122 100 A 9 ILE HG2% A 61 ARG H 1.0 1.8 5.5 123 101 A 61 ARG H A 9 ILE HG1x 1.0 1.8 5.5 124 101 A 9 ILE HG1y A 61 ARG H 1.0 1.8 5.5 125 102 A 61 ARG HBx A 9 ILE H 1.0 1.8 5.0 126 103 A 62 GLN HA A 9 ILE H 1.0 1.8 3.5 127 104 A 9 ILE HD1% A 63 ILE H 1.0 1.8 5.5 128 105 A 63 ILE H A 9 ILE HG1x 1.0 1.8 4.0 129 105 A 9 ILE HG1y A 63 ILE H 1.0 1.8 4.0 130 106 A 10 THR HG2% A 10 THR H 1.0 1.8 4.0 131 107 A 10 THR H A 10 THR HB 1.0 1.8 2.9 132 108 A 10 THR HA A 60 GLY H 1.0 1.8 5.0 133 109 A 11 ASN H A 11 ASN HBx 1.0 1.8 5.5 134 109 A 11 ASN H A 11 ASN HBy 1.0 1.8 5.5 135 110 A 12 LYS H A 11 ASN HBx 1.0 1.8 4.0 136 110 A 12 LYS H A 11 ASN HBy 1.0 1.8 4.0 137 111 A 11 ASN HA A 12 LYS H 1.0 1.8 2.9 138 112 A 12 LYS H A 12 LYS HGx 1.0 1.8 4.0 139 112 A 12 LYS H A 12 LYS HGy 1.0 1.8 4.0 140 113 A 12 LYS H A 12 LYS HBx 1.0 1.8 4.0 141 113 A 12 LYS H A 12 LYS HBy 1.0 1.8 4.0 142 114 A 13 LEU H A 12 LYS HGx 1.0 1.8 5.5 143 114 A 12 LYS HGy A 13 LEU H 1.0 1.8 5.5 144 115 A 13 LEU H A 12 LYS HBx 1.0 1.8 4.0 145 115 A 12 LYS HBy A 13 LEU H 1.0 1.8 4.0 146 116 A 14 GLY H A 12 LYS HGx 1.0 1.8 6.0 147 117 A 12 LYS HGy A 14 GLY H 1.0 1.8 5.0 148 118 A 12 LYS H A 14 GLY H 1.0 1.8 3.5 149 119 A 13 LEU H A 13 LEU HDx% 1.0 1.8 3.5 150 119 A 13 LEU HDy% A 13 LEU H 1.0 1.8 3.5 151 120 A 13 LEU H A 13 LEU HBx 1.0 1.8 3.4 152 120 A 13 LEU HBy A 13 LEU H 1.0 1.8 3.4 153 121 A 13 LEU H A 14 GLY HAx 1.0 1.8 6.0 154 122 A 14 GLY H A 13 LEU HDx% 1.0 1.8 5.0 155 122 A 13 LEU HDy% A 14 GLY H 1.0 1.8 5.0 156 123 A 14 GLY H A 13 LEU HBx 1.0 1.8 4.0 157 123 A 13 LEU HBy A 14 GLY H 1.0 1.8 4.0 158 124 A 14 GLY H A 13 LEU HA 1.0 1.8 3.5 159 125 A 14 GLY H A 15 MET H 1.0 1.8 3.5 160 126 A 15 MET H A 14 GLY HAx 1.0 1.8 3.4 161 126 A 15 MET H A 14 GLY HAy 1.0 1.8 3.4 162 127 A 15 MET H A 15 MET HBx 1.0 1.8 2.9 163 128 A 15 MET H A 82 LEU HD11 1.0 1.8 3.5 164 128 A 82 LEU HD21 A 15 MET H 1.0 1.8 3.5 165 129 A 17 ALA H A 16 HIS HBy 1.0 1.8 6.5 166 129 A 16 HIS HBx A 17 ALA H 1.0 1.8 6.5 167 130 A 17 ALA H A 16 HIS HA 1.0 1.8 3.5 168 131 A 17 ALA HB% A 17 ALA H 1.0 1.8 4.0 169 132 A 19 PRO HBx A 21 MET H 1.0 1.8 3.5 170 133 A 20 ALA HB% A 20 ALA H 1.0 1.8 4.0 171 134 A 20 ALA HA A 21 MET H 1.0 1.8 3.5 172 135 A 20 ALA HB% A 21 MET H 1.0 1.8 4.0 173 136 A 21 MET HGy A 21 MET H 1.0 1.8 3.5 174 137 A 21 MET HGx A 21 MET H 1.0 1.8 3.5 175 138 A 21 MET H A 21 MET HBx 1.0 1.8 3.4 176 138 A 21 MET H A 21 MET HBy 1.0 1.8 3.4 177 139 A 21 MET H A 52 LEU HD21 1.0 1.8 5.5 178 140 A 22 LYS HGx A 23 LEU H 1.0 1.8 3.5 179 141 A 22 LYS HA A 23 LEU H 1.0 1.8 3.5 180 142 A 23 LEU H A 23 LEU HDy% 1.0 1.8 3.5 181 142 A 23 LEU HDx% A 23 LEU H 1.0 1.8 3.5 182 143 A 23 LEU H A 23 LEU HBx 1.0 1.8 2.9 183 144 A 23 LEU HBy A 23 LEU H 1.0 1.8 2.9 184 145 A 23 LEU H A 24 PHE HBx 1.0 1.8 5.5 185 145 A 24 PHE HBy A 23 LEU H 1.0 1.8 5.5 186 146 A 23 LEU HA A 24 PHE H 1.0 1.8 3.5 187 147 A 24 PHE H A 23 LEU HDy% 1.0 1.8 3.5 188 147 A 23 LEU HDx% A 24 PHE H 1.0 1.8 3.5 189 148 A 23 LEU HBx A 24 PHE H 1.0 1.8 3.5 190 149 A 23 LEU HBy A 24 PHE H 1.0 1.8 2.9 191 150 A 23 LEU H A 24 PHE H 1.0 1.8 2.9 192 151 A 23 LEU HA A 26 LEU H 1.0 1.8 2.9 193 152 A 66 GLU H A 23 LEU HDy% 1.0 1.8 3.5 194 152 A 23 LEU HDx% A 66 GLU H 1.0 1.8 3.5 195 153 A 75 ALA HB% A 23 LEU H 1.0 1.8 4.0 196 154 A 76 LEU H A 23 LEU HDy% 1.0 1.8 5.0 197 154 A 23 LEU HDx% A 76 LEU H 1.0 1.8 5.0 198 155 A 23 LEU HG A 79 VAL H 1.0 1.8 5.0 199 156 A 24 PHE HD% A 24 PHE H 1.0 1.8 4.0 200 157 A 24 PHE H A 24 PHE HBx 1.0 1.8 3.4 201 157 A 24 PHE HBy A 24 PHE H 1.0 1.8 3.4 202 158 A 24 PHE H A 25 GLU HBx 1.0 1.8 5.5 203 158 A 25 GLU HBy A 24 PHE H 1.0 1.8 5.5 204 159 A 24 PHE HD% A 25 GLU H 1.0 1.8 5.5 205 160 A 24 PHE HA A 25 GLU H 1.0 1.8 3.5 206 161 A 25 GLU H A 24 PHE HBx 1.0 1.8 4.0 207 161 A 24 PHE HBy A 25 GLU H 1.0 1.8 4.0 208 162 A 26 LEU H A 24 PHE HBx 1.0 1.8 5.5 209 162 A 24 PHE HBy A 26 LEU H 1.0 1.8 5.5 210 163 A 24 PHE HA A 26 LEU H 1.0 1.8 3.5 211 164 A 24 PHE HA A 27 MET H 1.0 1.8 3.5 212 165 A 25 GLU H A 25 GLU HGx 1.0 1.8 4.0 213 165 A 25 GLU H A 25 GLU HGy 1.0 1.8 4.0 214 166 A 25 GLU H A 25 GLU HBx 1.0 1.8 3.4 215 166 A 25 GLU HBy A 25 GLU H 1.0 1.8 3.4 216 167 A 26 LEU H A 25 GLU HBx 1.0 1.8 3.4 217 167 A 25 GLU HBy A 26 LEU H 1.0 1.8 3.4 218 168 A 27 MET H A 25 GLU HA 1.0 1.8 3.5 219 169 A 25 GLU HA A 28 GLN H 1.0 1.8 3.5 220 170 A 25 GLU H A 52 LEU HD21 1.0 1.8 5.5 221 171 A 26 LEU H A 26 LEU HDy% 1.0 1.8 3.5 222 171 A 26 LEU HDx% A 26 LEU H 1.0 1.8 3.5 223 172 A 26 LEU H A 26 LEU HBx 1.0 1.8 3.4 224 172 A 26 LEU HBy A 26 LEU H 1.0 1.8 3.4 225 173 A 26 LEU H A 27 MET HGx 1.0 1.8 5.5 226 173 A 26 LEU H A 27 MET HGy 1.0 1.8 5.5 227 174 A 27 MET H A 26 LEU HBx 1.0 1.8 5.0 228 175 A 27 MET H A 26 LEU HDy% 1.0 1.8 3.5 229 175 A 26 LEU HDx% A 27 MET H 1.0 1.8 3.5 230 176 A 26 LEU HA A 27 MET H 1.0 1.8 3.5 231 177 A 26 LEU HBy A 27 MET H 1.0 1.8 2.9 232 178 A 28 GLN H A 26 LEU HBx 1.0 1.8 5.5 233 178 A 26 LEU HBy A 28 GLN H 1.0 1.8 5.5 234 179 A 26 LEU HA A 28 GLN H 1.0 1.8 3.5 235 180 A 26 LEU H A 28 GLN H 1.0 1.8 2.9 236 181 A 26 LEU HDx% A 73 GLU H 1.0 1.8 5.0 237 182 A 27 MET H A 27 MET HGx 1.0 1.8 3.4 238 182 A 27 MET H A 27 MET HGy 1.0 1.8 3.4 239 183 A 27 MET H A 27 MET HBx 1.0 1.8 3.4 240 183 A 27 MET HBy A 27 MET H 1.0 1.8 3.4 241 184 A 28 GLN H A 27 MET HGx 1.0 1.8 5.5 242 184 A 28 GLN H A 27 MET HGy 1.0 1.8 5.5 243 185 A 27 MET HA A 28 GLN H 1.0 1.8 3.5 244 186 A 27 MET H A 28 GLN H 1.0 1.8 2.9 245 187 A 27 MET HA A 29 GLY H 1.0 1.8 5.0 246 188 A 27 MET H A 29 GLY H 1.0 1.8 3.5 247 189 A 27 MET HA A 30 PHE H 1.0 1.8 5.0 248 190 A 27 MET HA A 34 VAL H 1.0 1.8 6.0 249 191 A 28 GLN H A 28 GLN HGx 1.0 1.8 3.4 250 191 A 28 GLN HGy A 28 GLN H 1.0 1.8 3.4 251 192 A 28 GLN H A 28 GLN HBx 1.0 1.8 3.4 252 192 A 28 GLN H A 28 GLN HBy 1.0 1.8 3.4 253 193 A 29 GLY H A 28 GLN HGx 1.0 1.8 5.5 254 193 A 28 GLN HGy A 29 GLY H 1.0 1.8 5.5 255 194 A 28 GLN HA A 29 GLY H 1.0 1.8 3.5 256 195 A 29 GLY H A 28 GLN HBx 1.0 1.8 4.0 257 195 A 29 GLY H A 28 GLN HBy 1.0 1.8 4.0 258 196 A 28 GLN HA A 30 PHE H 1.0 1.8 5.0 259 197 A 29 GLY H A 30 PHE HBx 1.0 1.8 6.5 260 197 A 30 PHE HBy A 29 GLY H 1.0 1.8 6.5 261 198 A 30 PHE H A 29 GLY HAx 1.0 1.8 3.5 262 199 A 30 PHE H A 29 GLY HAy 1.0 1.8 3.5 263 200 A 30 PHE HD% A 30 PHE H 1.0 1.8 4.0 264 201 A 30 PHE H A 30 PHE HBx 1.0 1.8 4.0 265 201 A 30 PHE HBy A 30 PHE H 1.0 1.8 4.0 266 202 A 30 PHE H A 31 ASP H 1.0 1.8 5.0 267 203 A 31 ASP H A 30 PHE HBx 1.0 1.8 4.0 268 203 A 30 PHE HBy A 31 ASP H 1.0 1.8 4.0 269 204 A 30 PHE HA A 31 ASP H 1.0 1.8 2.9 270 205 A 32 ALA H A 30 PHE HBx 1.0 1.8 4.0 271 205 A 30 PHE HBy A 32 ALA H 1.0 1.8 4.0 272 206 A 74 GLU H A 30 PHE HBx 1.0 1.8 5.5 273 206 A 30 PHE HBy A 74 GLU H 1.0 1.8 5.5 274 207 A 75 ALA H A 30 PHE HBx 1.0 1.8 5.5 275 207 A 30 PHE HBy A 75 ALA H 1.0 1.8 5.5 276 208 A 30 PHE HD% A 75 ALA H 1.0 1.8 5.5 277 209 A 30 PHE HE% A 75 ALA H 1.0 1.8 4.0 278 210 A 31 ASP HBy A 31 ASP H 1.0 1.8 2.9 279 211 A 31 ASP H A 31 ASP HBx 1.0 1.8 2.9 280 212 A 32 ALA HA A 31 ASP H 1.0 1.8 5.0 281 213 A 32 ALA HB% A 31 ASP H 1.0 1.8 5.5 282 214 A 31 ASP HBy A 32 ALA H 1.0 1.8 5.0 283 215 A 31 ASP H A 32 ALA H 1.0 1.8 5.0 284 216 A 32 ALA H A 31 ASP HBx 1.0 1.8 3.5 285 217 A 32 ALA H A 31 ASP HA 1.0 1.8 2.9 286 218 A 70 PRO HBx A 31 ASP H 1.0 1.8 5.0 287 219 A 71 GLN HA A 31 ASP H 1.0 1.8 5.0 288 220 A 31 ASP H A 71 GLN H 1.0 1.8 5.0 289 221 A 31 ASP HA A 71 GLN H 1.0 1.8 3.5 290 222 A 31 ASP HBy A 71 GLN H 1.0 1.8 3.5 291 223 A 31 ASP H A 71 GLN HE2x 1.0 1.8 3.5 292 224 A 31 ASP H A 71 GLN HBx 1.0 1.8 4.0 293 224 A 71 GLN HBy A 31 ASP H 1.0 1.8 4.0 294 225 A 75 ALA HB% A 31 ASP H 1.0 1.8 6.5 295 226 A 32 ALA HB% A 32 ALA H 1.0 1.8 3.4 296 227 A 32 ALA H A 33 GLU HBx 1.0 1.8 5.0 297 228 A 32 ALA H A 33 GLU H 1.0 1.8 5.0 298 229 A 32 ALA HB% A 33 GLU H 1.0 1.8 3.4 299 230 A 32 ALA HA A 33 GLU H 1.0 1.8 2.9 300 231 A 32 ALA HA A 34 VAL H 1.0 1.8 5.0 301 232 A 34 VAL H A 32 ALA H 1.0 1.8 3.5 302 233 A 32 ALA HA A 68 THR H 1.0 1.8 5.0 303 234 A 32 ALA HB% A 69 GLY H 1.0 1.8 4.0 304 235 A 32 ALA HA A 69 GLY H 1.0 1.8 3.5 305 236 A 32 ALA HA A 71 GLN H 1.0 1.8 5.0 306 237 A 32 ALA HB% A 71 GLN H 1.0 1.8 4.0 307 238 A 32 ALA HA A 72 GLU H 1.0 1.8 5.0 308 239 A 32 ALA HB% A 72 GLU H 1.0 1.8 4.0 309 240 A 32 ALA HB% A 73 GLU H 1.0 1.8 4.0 310 241 A 75 ALA HB% A 32 ALA H 1.0 1.8 5.5 311 242 A 32 ALA HB% A 75 ALA H 1.0 1.8 4.0 312 243 A 33 GLU H A 33 GLU HGx 1.0 1.8 4.0 313 243 A 33 GLU H A 33 GLU HGy 1.0 1.8 4.0 314 244 A 33 GLU H A 33 GLU HBy 1.0 1.8 2.9 315 245 A 33 GLU H A 33 GLU HBx 1.0 1.8 2.9 316 246 A 34 VAL H A 33 GLU HGx 1.0 1.8 4.0 317 246 A 34 VAL H A 33 GLU HGy 1.0 1.8 4.0 318 247 A 34 VAL H A 33 GLU HBy 1.0 1.8 4.0 319 247 A 34 VAL H A 33 GLU HBx 1.0 1.8 4.0 320 248 A 34 VAL H A 33 GLU HA 1.0 1.8 2.9 321 249 A 67 ALA HA A 33 GLU H 1.0 1.8 5.0 322 250 A 67 ALA HB% A 33 GLU H 1.0 1.8 4.0 323 251 A 68 THR HA A 33 GLU H 1.0 1.8 5.0 324 252 A 68 THR HB A 33 GLU H 1.0 1.8 3.5 325 253 A 68 THR H A 33 GLU HBx 1.0 1.8 3.5 326 254 A 33 GLU H A 69 GLY H 1.0 1.8 5.0 327 255 A 69 GLY HAx A 33 GLU H 1.0 1.8 5.0 328 256 A 69 GLY HAy A 33 GLU H 1.0 1.8 3.5 329 257 A 72 GLU HBx A 33 GLU H 1.0 1.8 5.0 330 258 A 72 GLU HA A 33 GLU H 1.0 1.8 5.0 331 259 A 75 ALA HB% A 33 GLU H 1.0 1.8 5.5 332 260 A 34 VAL H A 34 VAL HGy% 1.0 1.8 2.9 333 260 A 34 VAL HGx% A 34 VAL H 1.0 1.8 2.9 334 261 A 34 VAL HB A 34 VAL H 1.0 1.8 2.9 335 262 A 35 LEU HA A 34 VAL H 1.0 1.8 5.0 336 263 A 34 VAL H A 35 LEU H 1.0 1.8 5.0 337 264 A 34 VAL HA A 35 LEU H 1.0 1.8 2.9 338 265 A 46 ALA HB% A 34 VAL H 1.0 1.8 4.0 339 266 A 46 ALA H A 34 VAL HGy% 1.0 1.8 3.5 340 266 A 34 VAL HGx% A 46 ALA H 1.0 1.8 3.5 341 267 A 34 VAL HA A 66 GLU H 1.0 1.8 5.0 342 268 A 67 ALA HA A 34 VAL H 1.0 1.8 5.0 343 269 A 34 VAL HA A 67 ALA H 1.0 1.8 5.0 344 270 A 67 ALA H A 34 VAL HGy% 1.0 1.8 3.5 345 270 A 34 VAL HGx% A 67 ALA H 1.0 1.8 3.5 346 271 A 34 VAL HA A 68 THR H 1.0 1.8 3.5 347 272 A 68 THR H A 34 VAL HGy% 1.0 1.8 3.5 348 272 A 34 VAL HGx% A 68 THR H 1.0 1.8 3.5 349 273 A 35 LEU H A 35 LEU HBx 1.0 1.8 3.5 350 274 A 35 LEU HBy A 35 LEU H 1.0 1.8 2.9 351 275 A 35 LEU H A 35 LEU HD11 1.0 1.8 2.9 352 275 A 35 LEU HD21 A 35 LEU H 1.0 1.8 2.9 353 276 A 36 LEU HDx% A 35 LEU H 1.0 1.8 5.5 354 277 A 35 LEU H A 36 LEU H 1.0 1.8 5.0 355 278 A 36 LEU H A 35 LEU HBx 1.0 1.8 4.0 356 278 A 35 LEU HBy A 36 LEU H 1.0 1.8 4.0 357 279 A 35 LEU HA A 36 LEU H 1.0 1.8 2.9 358 280 A 35 LEU HG A 44 ALA H 1.0 1.8 5.0 359 281 A 44 ALA H A 35 LEU HD11 1.0 1.8 5.0 360 281 A 35 LEU HD21 A 44 ALA H 1.0 1.8 5.0 361 282 A 45 GLU H A 35 LEU HD11 1.0 1.8 5.0 362 282 A 35 LEU HD21 A 45 GLU H 1.0 1.8 5.0 363 283 A 35 LEU HA A 46 ALA H 1.0 1.8 3.5 364 284 A 66 GLU HA A 35 LEU H 1.0 1.8 5.0 365 285 A 35 LEU H A 66 GLU HBx 1.0 1.8 4.0 366 285 A 66 GLU HBy A 35 LEU H 1.0 1.8 4.0 367 286 A 35 LEU H A 66 GLU HGx 1.0 1.8 4.0 368 286 A 66 GLU HGy A 35 LEU H 1.0 1.8 4.0 369 287 A 35 LEU HBy A 66 GLU H 1.0 1.8 3.5 370 288 A 66 GLU H A 35 LEU H 1.0 1.8 3.5 371 289 A 66 GLU H A 35 LEU HD11 1.0 1.8 2.9 372 289 A 35 LEU HD21 A 66 GLU H 1.0 1.8 2.9 373 290 A 67 ALA HB% A 35 LEU H 1.0 1.8 5.5 374 291 A 67 ALA HA A 35 LEU H 1.0 1.8 3.5 375 292 A 36 LEU HDx% A 36 LEU H 1.0 1.8 4.0 376 293 A 36 LEU HDy% A 36 LEU H 1.0 1.8 4.0 377 294 A 36 LEU H A 36 LEU HBx 1.0 1.8 3.5 378 295 A 36 LEU H A 36 LEU HBy 1.0 1.8 2.9 379 296 A 36 LEU HDx% A 37 ARG H 1.0 1.8 4.0 380 297 A 36 LEU HDy% A 37 ARG H 1.0 1.8 4.0 381 298 A 36 LEU HA A 37 ARG H 1.0 1.8 2.9 382 299 A 36 LEU HDx% A 44 ALA H 1.0 1.8 6.5 383 300 A 44 ALA H A 36 LEU HBx 1.0 1.8 5.0 384 301 A 44 ALA HB% A 36 LEU H 1.0 1.8 4.0 385 302 A 44 ALA H A 36 LEU HBy 1.0 1.8 3.5 386 303 A 36 LEU H A 44 ALA H 1.0 1.8 2.9 387 304 A 45 GLU HA A 36 LEU H 1.0 1.8 3.5 388 305 A 46 ALA H A 36 LEU HBy 1.0 1.8 5.0 389 306 A 36 LEU HDx% A 46 ALA H 1.0 1.8 4.0 390 307 A 36 LEU H A 65 VAL HA 1.0 1.8 5.0 391 308 A 66 GLU H A 36 LEU HBx 1.0 1.8 5.0 392 309 A 37 ARG H A 37 ARG HDx 1.0 1.8 5.5 393 309 A 37 ARG HDy A 37 ARG H 1.0 1.8 5.5 394 310 A 37 ARG H A 37 ARG HBx 1.0 1.8 3.5 395 311 A 37 ARG HGx A 37 ARG H 1.0 1.8 3.5 396 312 A 37 ARG H A 37 ARG HGy 1.0 1.8 2.9 397 313 A 38 ASN H A 37 ARG HDx 1.0 1.8 6.5 398 313 A 37 ARG HDy A 38 ASN H 1.0 1.8 6.5 399 314 A 38 ASN HA A 37 ARG H 1.0 1.8 5.0 400 315 A 37 ARG H A 38 ASN H 1.0 1.8 3.5 401 316 A 37 ARG HGx A 38 ASN H 1.0 1.8 3.5 402 317 A 38 ASN H A 37 ARG HBx 1.0 1.8 3.5 403 318 A 38 ASN H A 37 ARG HBy 1.0 1.8 3.5 404 319 A 37 ARG HA A 38 ASN H 1.0 1.8 2.9 405 320 A 37 ARG HGy A 41 GLY H 1.0 1.8 6.0 406 321 A 37 ARG HGx A 41 GLY H 1.0 1.8 6.0 407 322 A 41 GLY H A 37 ARG HBy 1.0 1.8 5.5 408 322 A 41 GLY H A 37 ARG HBx 1.0 1.8 5.5 409 323 A 37 ARG HA A 42 THR H 1.0 1.8 6.0 410 324 A 37 ARG HA A 43 GLU H 1.0 1.8 5.0 411 325 A 37 ARG HBx A 43 GLU H 1.0 1.8 5.0 412 326 A 44 ALA HB% A 37 ARG H 1.0 1.8 5.5 413 327 A 37 ARG HA A 44 ALA H 1.0 1.8 3.5 414 328 A 63 ILE HG1x A 37 ARG H 1.0 1.8 5.0 415 329 A 63 ILE HA A 37 ARG H 1.0 1.8 3.5 416 330 A 37 ARG HA A 64 GLU H 1.0 1.8 6.0 417 331 A 64 GLU HA A 37 ARG H 1.0 1.8 5.0 418 332 A 37 ARG H A 64 GLU HBy 1.0 1.8 4.0 419 332 A 64 GLU HBx A 37 ARG H 1.0 1.8 4.0 420 333 A 64 GLU H A 37 ARG H 1.0 1.8 2.9 421 334 A 38 ASN HBx A 38 ASN HD2x 1.0 1.8 3.3 422 335 A 38 ASN H A 38 ASN HBy 1.0 1.8 3.5 423 336 A 38 ASN HBy A 38 ASN HD2y 1.0 1.8 3.3 424 337 A 38 ASN HBx A 38 ASN HD2y 1.0 1.8 3.3 425 338 A 38 ASN HBx A 38 ASN H 1.0 1.8 3.5 426 339 A 38 ASN H A 39 ASP H 1.0 1.8 3.5 427 340 A 38 ASN HA A 39 ASP H 1.0 1.8 2.9 428 341 A 38 ASN HBy A 39 ASP H 1.0 1.8 2.9 429 342 A 38 ASN HA A 40 GLU H 1.0 1.8 6.0 430 343 A 38 ASN H A 40 GLU HBx 1.0 1.8 6.0 431 344 A 38 ASN HD2x A 40 GLU HGx 1.0 1.8 5.5 432 344 A 38 ASN HD2x A 40 GLU HGy 1.0 1.8 5.5 433 345 A 38 ASN H A 40 GLU H 1.0 1.8 5.0 434 346 A 38 ASN HBy A 40 GLU H 1.0 1.8 3.5 435 347 A 42 THR HG2% A 38 ASN H 1.0 1.8 6.5 436 348 A 42 THR HG2% A 38 ASN HD2x 1.0 1.8 5.5 437 349 A 38 ASN H A 42 THR HB 1.0 1.8 5.0 438 350 A 38 ASN HD2y A 42 THR HB 1.0 1.8 3.3 439 351 A 38 ASN H A 42 THR H 1.0 1.8 3.5 440 352 A 38 ASN HD2x A 42 THR HB 1.0 1.8 3.3 441 353 A 38 ASN H A 43 GLU HA 1.0 1.8 3.5 442 354 A 38 ASN HD2y A 54 MET HGy 1.0 1.8 5.5 443 354 A 38 ASN HD2y A 54 MET HGx 1.0 1.8 5.5 444 355 A 61 ARG HBy A 38 ASN HD2y 1.0 1.8 5.0 445 356 A 61 ARG HBx A 38 ASN HD2y 1.0 1.8 5.0 446 357 A 61 ARG HBy A 38 ASN HD2x 1.0 1.8 5.0 447 358 A 63 ILE HD11 A 38 ASN H 1.0 1.8 6.5 448 359 A 39 ASP H A 39 ASP HBx 1.0 1.8 3.5 449 360 A 39 ASP H A 39 ASP HBy 1.0 1.8 2.9 450 361 A 39 ASP H A 40 GLU HGx 1.0 1.8 5.5 451 361 A 39 ASP H A 40 GLU HGy 1.0 1.8 5.5 452 362 A 40 GLU H A 39 ASP HBx 1.0 1.8 5.0 453 363 A 40 GLU H A 39 ASP HBy 1.0 1.8 5.0 454 364 A 39 ASP H A 40 GLU H 1.0 1.8 3.5 455 365 A 61 ARG HBx A 39 ASP H 1.0 1.8 6.0 456 366 A 62 GLN H A 39 ASP HBx 1.0 1.8 5.0 457 367 A 62 GLN H A 39 ASP H 1.0 1.8 3.5 458 368 A 63 ILE HD11 A 39 ASP H 1.0 1.8 5.5 459 369 A 63 ILE HA A 39 ASP H 1.0 1.8 5.0 460 370 A 39 ASP H A 64 GLU HGx 1.0 1.8 5.5 461 370 A 64 GLU HGy A 39 ASP H 1.0 1.8 5.5 462 371 A 40 GLU H A 40 GLU HBy 1.0 1.8 4.0 463 371 A 40 GLU H A 40 GLU HBx 1.0 1.8 4.0 464 372 A 40 GLU H A 40 GLU HGx 1.0 1.8 4.0 465 372 A 40 GLU H A 40 GLU HGy 1.0 1.8 4.0 466 373 A 41 GLY H A 40 GLU HA 1.0 1.8 3.5 467 374 A 41 GLY H A 40 GLU H 1.0 1.8 2.9 468 375 A 42 THR H A 40 GLU HBy 1.0 1.8 3.5 469 376 A 42 THR H A 40 GLU HBx 1.0 1.8 3.5 470 377 A 42 THR H A 40 GLU H 1.0 1.8 3.5 471 378 A 61 ARG HBx A 40 GLU H 1.0 1.8 3.5 472 379 A 42 THR HA A 41 GLY H 1.0 1.8 5.0 473 380 A 41 GLY H A 42 THR HB 1.0 1.8 5.0 474 381 A 42 THR H A 41 GLY HAy 1.0 1.8 3.5 475 382 A 42 THR H A 41 GLY HAx 1.0 1.8 3.5 476 383 A 41 GLY H A 42 THR H 1.0 1.8 2.9 477 384 A 42 THR HG2% A 42 THR H 1.0 1.8 4.0 478 385 A 42 THR H A 42 THR HB 1.0 1.8 2.9 479 386 A 43 GLU H A 42 THR HB 1.0 1.8 3.5 480 387 A 42 THR HG2% A 43 GLU H 1.0 1.8 3.4 481 388 A 42 THR HA A 43 GLU H 1.0 1.8 2.9 482 389 A 43 GLU H A 43 GLU HGx 1.0 1.8 3.5 483 390 A 44 ALA H A 43 GLU HGy 1.0 1.8 5.5 484 390 A 44 ALA H A 43 GLU HGx 1.0 1.8 5.5 485 391 A 44 ALA H A 43 GLU HBx 1.0 1.8 4.0 486 391 A 44 ALA H A 43 GLU HBy 1.0 1.8 4.0 487 392 A 44 ALA H A 43 GLU HA 1.0 1.8 2.9 488 393 A 44 ALA HB% A 44 ALA H 1.0 1.8 4.0 489 394 A 44 ALA H A 45 GLU H 1.0 1.8 3.5 490 395 A 44 ALA HB% A 45 GLU H 1.0 1.8 4.0 491 396 A 45 GLU H A 44 ALA HA 1.0 1.8 2.9 492 397 A 44 ALA HB% A 46 ALA H 1.0 1.8 5.5 493 398 A 44 ALA HB% A 51 ALA H 1.0 1.8 4.0 494 399 A 44 ALA H A 54 MET HBx 1.0 1.8 5.5 495 399 A 54 MET HBy A 44 ALA H 1.0 1.8 5.5 496 400 A 45 GLU HBy A 45 GLU H 1.0 1.8 3.5 497 401 A 45 GLU H A 45 GLU HGx 1.0 1.8 4.0 498 401 A 45 GLU HGy A 45 GLU H 1.0 1.8 4.0 499 402 A 45 GLU HBx A 45 GLU H 1.0 1.8 3.5 500 403 A 46 ALA H A 45 GLU HGx 1.0 1.8 4.0 501 403 A 45 GLU HGy A 46 ALA H 1.0 1.8 4.0 502 404 A 45 GLU HBx A 46 ALA H 1.0 1.8 3.5 503 405 A 45 GLU HBy A 46 ALA H 1.0 1.8 3.5 504 406 A 45 GLU HA A 46 ALA H 1.0 1.8 2.9 505 407 A 48 SER H A 45 GLU HGx 1.0 1.8 5.5 506 407 A 45 GLU HGy A 48 SER H 1.0 1.8 5.5 507 408 A 45 GLU H A 48 SER HBy 1.0 1.8 5.0 508 409 A 45 GLU H A 48 SER HBx 1.0 1.8 5.0 509 410 A 45 GLU HBy A 48 SER H 1.0 1.8 5.0 510 411 A 45 GLU HBx A 48 SER H 1.0 1.8 5.0 511 412 A 51 ALA HB% A 45 GLU H 1.0 1.8 5.5 512 413 A 46 ALA HB% A 46 ALA H 1.0 1.8 3.4 513 414 A 46 ALA HB% A 48 SER H 1.0 1.8 5.5 514 415 A 46 ALA HA A 48 SER H 1.0 1.8 3.5 515 416 A 46 ALA H A 48 SER H 1.0 1.8 3.5 516 417 A 51 ALA HB% A 46 ALA H 1.0 1.8 5.5 517 418 A 48 SER H A 47 ASN HBy 1.0 1.8 5.0 518 419 A 47 ASN HBx A 48 SER H 1.0 1.8 5.0 519 420 A 47 ASN HA A 48 SER H 1.0 1.8 3.5 520 421 A 48 SER H A 48 SER HBy 1.0 1.8 3.5 521 422 A 48 SER H A 48 SER HBx 1.0 1.8 3.5 522 423 A 49 VAL H A 48 SER HBy 1.0 1.8 5.5 523 423 A 48 SER HBx A 49 VAL H 1.0 1.8 5.5 524 424 A 49 VAL H A 48 SER HA 1.0 1.8 3.5 525 425 A 48 SER HA A 50 ILE H 1.0 1.8 5.0 526 426 A 50 ILE H A 48 SER HBy 1.0 1.8 4.0 527 426 A 48 SER HBx A 50 ILE H 1.0 1.8 4.0 528 427 A 51 ALA H A 48 SER HA 1.0 1.8 3.5 529 428 A 51 ALA H A 48 SER HBy 1.0 1.8 3.5 530 429 A 51 ALA H A 48 SER HBx 1.0 1.8 3.5 531 430 A 51 ALA HB% A 48 SER H 1.0 1.8 4.0 532 431 A 52 LEU HD11 A 48 SER H 1.0 1.8 5.5 533 432 A 49 VAL H A 49 VAL HB 1.0 1.8 3.5 534 433 A 49 VAL H A 49 VAL HG21 1.0 1.8 4.0 535 434 A 49 VAL H A 50 ILE H 1.0 1.8 5.0 536 435 A 49 VAL HA A 50 ILE H 1.0 1.8 3.5 537 436 A 50 ILE H A 49 VAL HB 1.0 1.8 3.5 538 437 A 49 VAL HB A 53 LEU H 1.0 1.8 5.0 539 438 A 50 ILE HG2% A 50 ILE H 1.0 1.8 3.4 540 439 A 50 ILE H A 50 ILE HG1x 1.0 1.8 3.4 541 439 A 50 ILE H A 50 ILE HG1y 1.0 1.8 3.4 542 440 A 50 ILE H A 50 ILE HB 1.0 1.8 2.9 543 441 A 51 ALA H A 50 ILE HG1x 1.0 1.8 4.0 544 441 A 51 ALA H A 50 ILE HG1y 1.0 1.8 4.0 545 442 A 50 ILE HA A 51 ALA H 1.0 1.8 3.5 546 443 A 50 ILE HG2% A 51 ALA H 1.0 1.8 4.0 547 444 A 51 ALA HB% A 50 ILE H 1.0 1.8 3.4 548 445 A 51 ALA H A 50 ILE HB 1.0 1.8 2.9 549 446 A 51 ALA H A 50 ILE H 1.0 1.8 2.9 550 447 A 50 ILE HA A 53 LEU H 1.0 1.8 3.5 551 448 A 50 ILE HA A 54 MET H 1.0 1.8 5.0 552 449 A 51 ALA HB% A 51 ALA H 1.0 1.8 3.4 553 450 A 51 ALA H A 52 LEU HBx 1.0 1.8 5.0 554 451 A 51 ALA HA A 52 LEU H 1.0 1.8 3.5 555 452 A 51 ALA HB% A 52 LEU H 1.0 1.8 3.4 556 453 A 51 ALA H A 52 LEU H 1.0 1.8 2.9 557 454 A 52 LEU H A 52 LEU HD21 1.0 1.8 3.5 558 454 A 52 LEU HD11 A 52 LEU H 1.0 1.8 3.5 559 455 A 52 LEU HBy A 52 LEU H 1.0 1.8 2.9 560 456 A 52 LEU HA A 53 LEU H 1.0 1.8 3.5 561 457 A 53 LEU H A 52 LEU H 1.0 1.8 2.9 562 458 A 52 LEU HA A 55 LEU H 1.0 1.8 3.5 563 459 A 53 LEU H A 53 LEU HD11 1.0 1.8 3.5 564 459 A 53 LEU HD21 A 53 LEU H 1.0 1.8 3.5 565 460 A 53 LEU HBx A 53 LEU H 1.0 1.8 2.9 566 461 A 53 LEU HBy A 53 LEU H 1.0 1.8 2.9 567 462 A 54 MET H A 53 LEU HD11 1.0 1.8 5.0 568 462 A 53 LEU HD21 A 54 MET H 1.0 1.8 5.0 569 463 A 53 LEU HBx A 54 MET H 1.0 1.8 3.5 570 464 A 53 LEU HBy A 54 MET H 1.0 1.8 3.5 571 465 A 53 LEU H A 54 MET H 1.0 1.8 2.9 572 466 A 53 LEU HA A 56 ASP H 1.0 1.8 5.0 573 467 A 57 SER H A 53 LEU HD11 1.0 1.8 5.0 574 467 A 53 LEU HD21 A 57 SER H 1.0 1.8 5.0 575 468 A 54 MET H A 54 MET HGy 1.0 1.8 3.5 576 469 A 54 MET H A 54 MET HBx 1.0 1.8 4.0 577 469 A 54 MET HBy A 54 MET H 1.0 1.8 4.0 578 470 A 55 LEU H A 54 MET HGy 1.0 1.8 5.5 579 470 A 54 MET HGx A 55 LEU H 1.0 1.8 5.5 580 471 A 55 LEU H A 54 MET HBx 1.0 1.8 4.0 581 471 A 54 MET HBy A 55 LEU H 1.0 1.8 4.0 582 472 A 55 LEU H A 55 LEU HD21 1.0 1.8 4.0 583 473 A 55 LEU HD11 A 55 LEU H 1.0 1.8 4.0 584 474 A 55 LEU H A 55 LEU HG 1.0 1.8 2.9 585 475 A 55 LEU H A 55 LEU HBx 1.0 1.8 3.4 586 475 A 55 LEU HBy A 55 LEU H 1.0 1.8 3.4 587 476 A 55 LEU HA A 56 ASP H 1.0 1.8 3.5 588 477 A 57 SER H A 55 LEU HBx 1.0 1.8 5.5 589 477 A 55 LEU HBy A 57 SER H 1.0 1.8 5.5 590 478 A 56 ASP HBx A 56 ASP H 1.0 1.8 2.9 591 479 A 57 SER H A 56 ASP HBy 1.0 1.8 4.0 592 479 A 56 ASP HBx A 57 SER H 1.0 1.8 4.0 593 480 A 56 ASP H A 58 ALA H 1.0 1.8 3.5 594 481 A 57 SER H A 57 SER HBx 1.0 1.8 3.4 595 481 A 57 SER H A 57 SER HBy 1.0 1.8 3.4 596 482 A 58 ALA HA A 57 SER H 1.0 1.8 5.0 597 483 A 58 ALA HB% A 57 SER H 1.0 1.8 5.5 598 484 A 58 ALA H A 57 SER HBx 1.0 1.8 4.0 599 484 A 58 ALA H A 57 SER HBy 1.0 1.8 4.0 600 485 A 58 ALA H A 57 SER HA 1.0 1.8 3.5 601 486 A 58 ALA HB% A 58 ALA H 1.0 1.8 3.4 602 487 A 58 ALA H A 59 LYS HBx 1.0 1.8 6.5 603 487 A 58 ALA H A 59 LYS HBy 1.0 1.8 6.5 604 488 A 59 LYS H A 58 ALA H 1.0 1.8 3.5 605 489 A 58 ALA HB% A 59 LYS H 1.0 1.8 4.0 606 490 A 58 ALA HA A 59 LYS H 1.0 1.8 3.5 607 491 A 58 ALA HA A 60 GLY H 1.0 1.8 5.0 608 492 A 58 ALA HB% A 60 GLY H 1.0 1.8 4.0 609 493 A 58 ALA HA A 61 ARG H 1.0 1.8 5.0 610 494 A 58 ALA HB% A 61 ARG H 1.0 1.8 5.5 611 495 A 59 LYS H A 59 LYS HDx 1.0 1.8 5.5 612 495 A 59 LYS H A 59 LYS HDy 1.0 1.8 5.5 613 496 A 59 LYS H A 59 LYS HGx 1.0 1.8 4.0 614 496 A 59 LYS H A 59 LYS HGy 1.0 1.8 4.0 615 497 A 59 LYS H A 59 LYS HBx 1.0 1.8 3.4 616 497 A 59 LYS H A 59 LYS HBy 1.0 1.8 3.4 617 498 A 60 GLY H A 59 LYS HGx 1.0 1.8 5.5 618 498 A 60 GLY H A 59 LYS HGy 1.0 1.8 5.5 619 499 A 59 LYS H A 60 GLY H 1.0 1.8 5.0 620 500 A 60 GLY H A 59 LYS HBx 1.0 1.8 4.0 621 500 A 60 GLY H A 59 LYS HBy 1.0 1.8 4.0 622 501 A 59 LYS HA A 60 GLY H 1.0 1.8 2.9 623 502 A 59 LYS H A 61 ARG HGx 1.0 1.8 5.5 624 502 A 61 ARG HGy A 59 LYS H 1.0 1.8 5.5 625 503 A 61 ARG H A 60 GLY HAy 1.0 1.8 3.5 626 504 A 60 GLY HAx A 61 ARG H 1.0 1.8 3.5 627 505 A 60 GLY H A 61 ARG H 1.0 1.8 3.5 628 506 A 61 ARG H A 61 ARG HDx 1.0 1.8 5.5 629 506 A 61 ARG HDy A 61 ARG H 1.0 1.8 5.5 630 507 A 61 ARG HBy A 61 ARG H 1.0 1.8 3.5 631 508 A 61 ARG H A 61 ARG HGx 1.0 1.8 4.0 632 508 A 61 ARG HGy A 61 ARG H 1.0 1.8 4.0 633 509 A 61 ARG HBx A 61 ARG H 1.0 1.8 2.9 634 510 A 62 GLN H A 61 ARG HGx 1.0 1.8 4.0 635 510 A 61 ARG HGy A 62 GLN H 1.0 1.8 4.0 636 511 A 62 GLN H A 61 ARG H 1.0 1.8 3.5 637 512 A 62 GLN H A 61 ARG HA 1.0 1.8 2.9 638 513 A 62 GLN H A 62 GLN HGy 1.0 1.8 3.5 639 514 A 62 GLN HGx A 62 GLN H 1.0 1.8 2.9 640 515 A 62 GLN H A 62 GLN HBx 1.0 1.8 3.4 641 515 A 62 GLN H A 62 GLN HBy 1.0 1.8 3.4 642 516 A 62 GLN HGx A 63 ILE H 1.0 1.8 3.5 643 517 A 63 ILE H A 62 GLN HBx 1.0 1.8 3.4 644 517 A 63 ILE H A 62 GLN HBy 1.0 1.8 3.4 645 518 A 62 GLN HA A 63 ILE H 1.0 1.8 2.9 646 519 A 63 ILE HG2% A 63 ILE H 1.0 1.8 4.0 647 520 A 63 ILE HG1x A 63 ILE H 1.0 1.8 3.5 648 521 A 63 ILE HB A 63 ILE H 1.0 1.8 2.9 649 522 A 64 GLU HA A 63 ILE H 1.0 1.8 5.0 650 523 A 64 GLU H A 63 ILE HG1y 1.0 1.8 3.5 651 524 A 63 ILE HG1x A 64 GLU H 1.0 1.8 3.5 652 525 A 63 ILE HG2% A 64 GLU H 1.0 1.8 4.0 653 526 A 63 ILE HB A 64 GLU H 1.0 1.8 2.9 654 527 A 64 GLU H A 63 ILE HA 1.0 1.8 2.9 655 528 A 65 VAL H A 63 ILE HG1y 1.0 1.8 5.0 656 529 A 63 ILE HG1x A 65 VAL H 1.0 1.8 5.0 657 530 A 63 ILE HG2% A 65 VAL H 1.0 1.8 4.0 658 531 A 64 GLU H A 64 GLU HBy 1.0 1.8 3.4 659 531 A 64 GLU HBx A 64 GLU H 1.0 1.8 3.4 660 532 A 64 GLU H A 64 GLU HGx 1.0 1.8 3.4 661 532 A 64 GLU HGy A 64 GLU H 1.0 1.8 3.4 662 533 A 64 GLU HA A 65 VAL H 1.0 1.8 2.9 663 534 A 64 GLU HA A 66 GLU H 1.0 1.8 5.0 664 535 A 65 VAL H A 65 VAL HG11 1.0 1.8 2.9 665 535 A 65 VAL HG21 A 65 VAL H 1.0 1.8 2.9 666 536 A 65 VAL H A 65 VAL HB 1.0 1.8 2.9 667 537 A 66 GLU HA A 65 VAL H 1.0 1.8 5.0 668 538 A 66 GLU H A 65 VAL HA 1.0 1.8 2.9 669 539 A 66 GLU H A 66 GLU HGx 1.0 1.8 4.0 670 539 A 66 GLU HGy A 66 GLU H 1.0 1.8 4.0 671 540 A 66 GLU H A 66 GLU HBx 1.0 1.8 3.4 672 540 A 66 GLU HBy A 66 GLU H 1.0 1.8 3.4 673 541 A 67 ALA HB% A 66 GLU H 1.0 1.8 5.5 674 542 A 67 ALA H A 66 GLU HBx 1.0 1.8 4.0 675 542 A 67 ALA H A 66 GLU HBy 1.0 1.8 4.0 676 543 A 67 ALA H A 66 GLU HGx 1.0 1.8 3.4 677 543 A 66 GLU HGy A 67 ALA H 1.0 1.8 3.4 678 544 A 67 ALA HB% A 67 ALA H 1.0 1.8 3.4 679 545 A 68 THR HA A 67 ALA H 1.0 1.8 2.9 680 546 A 67 ALA HA A 68 THR H 1.0 1.8 2.9 681 547 A 67 ALA HB% A 72 GLU H 1.0 1.8 5.5 682 548 A 67 ALA HB% A 73 GLU H 1.0 1.8 5.5 683 549 A 67 ALA HB% A 75 ALA H 1.0 1.8 5.5 684 550 A 67 ALA HB% A 76 LEU H 1.0 1.8 4.0 685 551 A 68 THR HB A 68 THR H 1.0 1.8 2.9 686 552 A 68 THR HG2% A 68 THR H 1.0 1.8 3.4 687 553 A 68 THR HB A 69 GLY H 1.0 1.8 5.0 688 554 A 68 THR HG2% A 69 GLY H 1.0 1.8 4.0 689 555 A 68 THR HA A 69 GLY H 1.0 1.8 2.9 690 556 A 72 GLU HA A 68 THR H 1.0 1.8 6.0 691 557 A 72 GLU HBy A 68 THR H 1.0 1.8 5.0 692 558 A 72 GLU HBx A 68 THR H 1.0 1.8 5.0 693 559 A 68 THR HA A 72 GLU H 1.0 1.8 5.0 694 560 A 72 GLU HGx A 68 THR H 1.0 1.8 3.5 695 561 A 69 GLY HAx A 71 GLN H 1.0 1.8 6.0 696 562 A 71 GLN HA A 69 GLY H 1.0 1.8 5.0 697 563 A 69 GLY HAx A 72 GLU H 1.0 1.8 6.0 698 564 A 69 GLY HAy A 72 GLU H 1.0 1.8 5.0 699 565 A 72 GLU HGx A 69 GLY H 1.0 1.8 5.0 700 566 A 69 GLY H A 72 GLU H 1.0 1.8 5.0 701 567 A 72 GLU HGy A 69 GLY H 1.0 1.8 3.5 702 568 A 72 GLU HA A 69 GLY H 1.0 1.8 3.5 703 569 A 72 GLU HBx A 69 GLY H 1.0 1.8 3.5 704 570 A 72 GLU HBy A 69 GLY H 1.0 1.8 2.9 705 571 A 70 PRO HGy A 71 GLN H 1.0 1.8 3.5 706 572 A 70 PRO HA A 71 GLN H 1.0 1.8 3.5 707 573 A 71 GLN H A 70 PRO HDx 1.0 1.8 4.0 708 573 A 70 PRO HDy A 71 GLN H 1.0 1.8 4.0 709 574 A 71 GLN H A 70 PRO HBy 1.0 1.8 3.5 710 575 A 70 PRO HA A 72 GLU H 1.0 1.8 5.0 711 576 A 71 GLN HE2x A 71 GLN HGy 1.0 1.8 3.8 712 576 A 71 GLN HGx A 71 GLN HE2x 1.0 1.8 3.8 713 577 A 71 GLN H A 71 GLN HGy 1.0 1.8 3.4 714 577 A 71 GLN HGx A 71 GLN H 1.0 1.8 3.4 715 578 A 71 GLN H A 71 GLN HBx 1.0 1.8 2.9 716 579 A 71 GLN HA A 72 GLU H 1.0 1.8 3.5 717 580 A 71 GLN H A 72 GLU H 1.0 1.8 2.9 718 581 A 71 GLN HA A 73 GLU H 1.0 1.8 3.5 719 582 A 72 GLU HBx A 72 GLU H 1.0 1.8 2.9 720 583 A 72 GLU HGx A 72 GLU H 1.0 1.8 2.9 721 584 A 72 GLU HBy A 72 GLU H 1.0 1.8 2.9 722 585 A 72 GLU HGy A 72 GLU H 1.0 1.8 2.9 723 586 A 72 GLU H A 73 GLU HGx 1.0 1.8 5.0 724 587 A 72 GLU HA A 73 GLU H 1.0 1.8 3.5 725 588 A 73 GLU H A 72 GLU H 1.0 1.8 3.5 726 589 A 72 GLU HGy A 73 GLU H 1.0 1.8 2.9 727 590 A 74 GLU H A 72 GLU H 1.0 1.8 5.0 728 591 A 75 ALA HB% A 72 GLU H 1.0 1.8 5.5 729 592 A 72 GLU HA A 75 ALA H 1.0 1.8 3.5 730 593 A 73 GLU H A 73 GLU HGx 1.0 1.8 3.5 731 594 A 73 GLU HGy A 73 GLU H 1.0 1.8 2.9 732 595 A 73 GLU H A 73 GLU HBx 1.0 1.8 3.4 733 595 A 73 GLU H A 73 GLU HBy 1.0 1.8 3.4 734 596 A 74 GLU H A 73 GLU HGx 1.0 1.8 3.5 735 597 A 73 GLU H A 74 GLU H 1.0 1.8 2.9 736 598 A 74 GLU H A 73 GLU HBx 1.0 1.8 3.4 737 598 A 74 GLU H A 73 GLU HBy 1.0 1.8 3.4 738 599 A 75 ALA HB% A 73 GLU H 1.0 1.8 5.5 739 600 A 73 GLU H A 75 ALA H 1.0 1.8 3.5 740 601 A 73 GLU HA A 76 LEU H 1.0 1.8 3.5 741 602 A 74 GLU HGx A 75 ALA H 1.0 1.8 5.0 742 603 A 74 GLU HGy A 75 ALA H 1.0 1.8 3.5 743 604 A 74 GLU HA A 75 ALA H 1.0 1.8 3.5 744 605 A 74 GLU H A 75 ALA H 1.0 1.8 2.9 745 606 A 75 ALA H A 74 GLU HBx 1.0 1.8 3.4 746 606 A 74 GLU HBy A 75 ALA H 1.0 1.8 3.4 747 607 A 76 LEU H A 74 GLU HBx 1.0 1.8 4.0 748 607 A 74 GLU HBy A 76 LEU H 1.0 1.8 4.0 749 608 A 74 GLU HGx A 77 ALA H 1.0 1.8 5.0 750 609 A 77 ALA HB% A 74 GLU H 1.0 1.8 5.5 751 610 A 77 ALA H A 74 GLU HBx 1.0 1.8 4.0 752 610 A 74 GLU HBy A 77 ALA H 1.0 1.8 4.0 753 611 A 75 ALA HB% A 75 ALA H 1.0 1.8 3.4 754 612 A 76 LEU HBy A 75 ALA H 1.0 1.8 3.5 755 613 A 75 ALA HA A 76 LEU H 1.0 1.8 3.5 756 614 A 76 LEU H A 75 ALA H 1.0 1.8 2.9 757 615 A 75 ALA HB% A 76 LEU H 1.0 1.8 3.4 758 616 A 75 ALA HA A 77 ALA H 1.0 1.8 5.0 759 617 A 77 ALA HB% A 75 ALA H 1.0 1.8 4.0 760 618 A 75 ALA HA A 78 ALA H 1.0 1.8 3.5 761 619 A 75 ALA HA A 79 VAL H 1.0 1.8 5.0 762 620 A 76 LEU H A 76 LEU HD21 1.0 1.8 3.5 763 620 A 76 LEU HD11 A 76 LEU H 1.0 1.8 3.5 764 621 A 76 LEU HBy A 76 LEU H 1.0 1.8 2.9 765 622 A 76 LEU HBx A 76 LEU H 1.0 1.8 2.9 766 623 A 76 LEU HA A 77 ALA H 1.0 1.8 3.5 767 624 A 77 ALA H A 76 LEU HD21 1.0 1.8 3.5 768 624 A 76 LEU HD11 A 77 ALA H 1.0 1.8 3.5 769 625 A 76 LEU H A 77 ALA H 1.0 1.8 2.9 770 626 A 76 LEU HBy A 77 ALA H 1.0 1.8 2.9 771 627 A 76 LEU HBy A 78 ALA H 1.0 1.8 5.0 772 628 A 76 LEU HA A 78 ALA H 1.0 1.8 5.0 773 629 A 76 LEU HA A 79 VAL H 1.0 1.8 3.5 774 630 A 77 ALA HB% A 77 ALA H 1.0 1.8 3.4 775 631 A 77 ALA HA A 78 ALA H 1.0 1.8 3.5 776 632 A 77 ALA H A 78 ALA H 1.0 1.8 2.9 777 633 A 77 ALA HA A 79 VAL H 1.0 1.8 5.0 778 634 A 77 ALA HA A 80 ILE H 1.0 1.8 3.5 779 635 A 77 ALA HA A 81 ALA H 1.0 1.8 3.5 780 636 A 78 ALA HB% A 78 ALA H 1.0 1.8 3.4 781 637 A 79 VAL HA A 78 ALA H 1.0 1.8 6.0 782 638 A 78 ALA H A 79 VAL HGy% 1.0 1.8 4.0 783 639 A 79 VAL HGx% A 78 ALA H 1.0 1.8 4.0 784 640 A 79 VAL H A 78 ALA HA 1.0 1.8 3.5 785 641 A 78 ALA HB% A 79 VAL H 1.0 1.8 3.4 786 642 A 79 VAL H A 78 ALA H 1.0 1.8 2.9 787 643 A 80 ILE H A 78 ALA HA 1.0 1.8 5.0 788 644 A 80 ILE HB A 78 ALA H 1.0 1.8 3.5 789 645 A 79 VAL H A 79 VAL HGy% 1.0 1.8 4.0 790 646 A 79 VAL HGx% A 79 VAL H 1.0 1.8 3.4 791 647 A 79 VAL HB A 79 VAL H 1.0 1.8 2.9 792 648 A 79 VAL H A 80 ILE HG1x 1.0 1.8 3.5 793 649 A 79 VAL HA A 80 ILE H 1.0 1.8 3.5 794 650 A 79 VAL H A 80 ILE H 1.0 1.8 2.9 795 651 A 79 VAL HA A 81 ALA H 1.0 1.8 5.0 796 652 A 79 VAL HB A 82 LEU H 1.0 1.8 5.0 797 653 A 82 LEU H A 79 VAL HGy% 1.0 1.8 4.0 798 654 A 79 VAL HA A 82 LEU H 1.0 1.8 3.5 799 655 A 79 VAL HB A 83 PHE H 1.0 1.8 6.0 800 656 A 83 PHE H A 79 VAL HGy% 1.0 1.8 4.0 801 657 A 80 ILE HD11 A 80 ILE H 1.0 1.8 4.0 802 658 A 80 ILE HG2% A 80 ILE H 1.0 1.8 3.4 803 659 A 80 ILE H A 80 ILE HG1y 1.0 1.8 3.4 804 659 A 80 ILE H A 80 ILE HG1x 1.0 1.8 3.4 805 660 A 80 ILE HB A 80 ILE H 1.0 1.8 2.9 806 661 A 81 ALA H A 80 ILE HG1y 1.0 1.8 5.0 807 662 A 80 ILE HD11 A 81 ALA H 1.0 1.8 4.0 808 663 A 80 ILE HA A 81 ALA H 1.0 1.8 3.5 809 664 A 81 ALA H A 80 ILE HG1x 1.0 1.8 3.5 810 665 A 80 ILE HG2% A 81 ALA H 1.0 1.8 4.0 811 666 A 80 ILE H A 81 ALA H 1.0 1.8 2.9 812 667 A 80 ILE HB A 81 ALA H 1.0 1.8 2.9 813 668 A 82 LEU H A 80 ILE HG1x 1.0 1.8 5.0 814 669 A 80 ILE HA A 82 LEU H 1.0 1.8 5.0 815 670 A 80 ILE HA A 83 PHE H 1.0 1.8 3.5 816 671 A 80 ILE HA A 84 ASN H 1.0 1.8 5.0 817 672 A 80 ILE HG2% A 84 ASN HD2x 1.0 1.8 3.8 818 673 A 80 ILE HG2% A 84 ASN HD2y 1.0 1.8 3.8 819 674 A 81 ALA HB% A 81 ALA H 1.0 1.8 3.4 820 675 A 81 ALA HA A 82 LEU H 1.0 1.8 3.5 821 676 A 81 ALA H A 82 LEU H 1.0 1.8 2.9 822 677 A 81 ALA HB% A 82 LEU H 1.0 1.8 3.4 823 678 A 81 ALA HA A 83 PHE H 1.0 1.8 5.0 824 679 A 84 ASN HBx A 81 ALA H 1.0 1.8 6.0 825 680 A 81 ALA H A 84 ASN HBy 1.0 1.8 6.0 826 681 A 81 ALA HB% A 84 ASN H 1.0 1.8 5.5 827 682 A 81 ALA HA A 84 ASN H 1.0 1.8 3.5 828 683 A 81 ALA HB% A 85 SER H 1.0 1.8 5.5 829 684 A 82 LEU H A 82 LEU HD11 1.0 1.8 3.5 830 684 A 82 LEU HD21 A 82 LEU H 1.0 1.8 3.5 831 685 A 82 LEU HBy A 82 LEU H 1.0 1.8 2.9 832 686 A 83 PHE HA A 82 LEU H 1.0 1.8 5.0 833 687 A 83 PHE HBx A 82 LEU H 1.0 1.8 5.0 834 688 A 83 PHE H A 82 LEU HA 1.0 1.8 3.5 835 689 A 82 LEU HBx A 83 PHE H 1.0 1.8 3.5 836 690 A 82 LEU HBy A 83 PHE H 1.0 1.8 2.9 837 691 A 83 PHE H A 82 LEU H 1.0 1.8 2.9 838 692 A 82 LEU HBy A 84 ASN H 1.0 1.8 5.0 839 693 A 84 ASN H A 82 LEU HA 1.0 1.8 5.0 840 694 A 82 LEU HBy A 85 SER H 1.0 1.8 5.0 841 695 A 85 SER H A 82 LEU HA 1.0 1.8 5.0 842 696 A 83 PHE HE% A 83 PHE H 1.0 1.8 5.5 843 697 A 83 PHE HD% A 83 PHE H 1.0 1.8 4.0 844 698 A 83 PHE HBy A 83 PHE H 1.0 1.8 3.5 845 699 A 83 PHE HBx A 83 PHE H 1.0 1.8 2.9 846 700 A 84 ASN HBx A 83 PHE H 1.0 1.8 5.0 847 701 A 83 PHE HBy A 84 ASN H 1.0 1.8 3.5 848 702 A 83 PHE HA A 84 ASN H 1.0 1.8 3.5 849 703 A 83 PHE H A 84 ASN H 1.0 1.8 2.9 850 704 A 83 PHE HBy A 85 SER H 1.0 1.8 5.0 851 705 A 83 PHE HA A 85 SER H 1.0 1.8 3.5 852 706 A 84 ASN HBx A 84 ASN HD2y 1.0 1.8 3.3 853 707 A 84 ASN H A 84 ASN HBy 1.0 1.8 2.9 854 708 A 84 ASN HBx A 84 ASN H 1.0 1.8 2.9 855 709 A 85 SER H A 84 ASN HBy 1.0 1.8 3.5 856 710 A 84 ASN HBx A 85 SER H 1.0 1.8 3.5 857 711 A 85 SER H A 84 ASN HA 1.0 1.8 2.9 858 712 A 84 ASN H A 85 SER H 1.0 1.8 2.9 859 713 A 85 SER H A 85 SER HBx 1.0 1.8 3.4 860 713 A 85 SER H A 85 SER HBy 1.0 1.8 3.4 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _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 17 ALA O A 21 MET N 1.0 2.2 3.3 2 2 A 21 MET H A 17 ALA O 1.0 1.2 2.3 3 3 A 18 ARG O A 22 LYS N 1.0 2.2 3.3 4 4 A 18 ARG O A 22 LYS H 1.0 1.2 2.3 5 5 A 19 PRO O A 23 LEU N 1.0 2.2 3.3 6 6 A 23 LEU H A 19 PRO O 1.0 1.2 2.3 7 7 A 20 ALA O A 24 PHE N 1.0 2.2 3.3 8 8 A 24 PHE H A 20 ALA O 1.0 1.2 2.3 9 9 A 21 MET O A 25 GLU N 1.0 2.2 3.3 10 10 A 25 GLU H A 21 MET O 1.0 1.2 2.3 11 11 A 22 LYS O A 26 LEU N 1.0 2.2 3.3 12 12 A 26 LEU H A 22 LYS O 1.0 1.2 2.3 13 13 A 23 LEU O A 27 MET N 1.0 2.2 3.3 14 14 A 27 MET H A 23 LEU O 1.0 1.2 2.3 15 15 A 24 PHE O A 28 GLN N 1.0 2.2 3.3 16 16 A 28 GLN H A 24 PHE O 1.0 1.2 2.3 17 17 A 49 VAL O A 53 LEU N 1.0 2.2 3.5 18 18 A 53 LEU H A 49 VAL O 1.0 1.2 2.5 19 19 A 50 ILE O A 54 MET N 1.0 2.2 3.5 20 20 A 54 MET H A 50 ILE O 1.0 1.2 2.5 21 21 A 51 ALA O A 55 LEU N 1.0 2.2 3.5 22 22 A 55 LEU H A 51 ALA O 1.0 1.2 2.5 23 23 A 52 LEU O A 56 ASP N 1.0 2.2 3.5 24 24 A 56 ASP H A 52 LEU O 1.0 1.2 2.5 25 25 A 72 GLU O A 76 LEU N 1.0 2.2 3.8 26 26 A 76 LEU H A 72 GLU O 1.0 1.2 2.8 27 27 A 73 GLU O A 77 ALA N 1.0 2.2 3.8 28 28 A 77 ALA H A 73 GLU O 1.0 1.2 2.8 29 29 A 74 GLU O A 78 ALA N 1.0 2.2 3.3 30 30 A 78 ALA H A 74 GLU O 1.0 1.2 2.3 31 31 A 75 ALA O A 79 VAL N 1.0 2.2 3.3 32 32 A 79 VAL H A 75 ALA O 1.0 1.2 2.3 33 33 A 76 LEU O A 80 ILE N 1.0 2.2 3.3 34 34 A 80 ILE H A 76 LEU O 1.0 1.2 2.3 35 35 A 77 ALA O A 81 ALA N 1.0 2.2 3.3 36 36 A 81 ALA H A 77 ALA O 1.0 1.2 2.3 37 37 A 78 ALA O A 82 LEU N 1.0 2.2 3.3 38 38 A 78 ALA O A 82 LEU N 1.0 2.2 3.3 39 39 A 79 VAL O A 83 PHE N 1.0 2.2 3.3 40 40 A 79 VAL O A 83 PHE N 1.0 2.2 3.3 41 41 A 80 ILE O A 84 ASN N 1.0 2.2 3.3 42 42 A 80 ILE O A 84 ASN N 1.0 2.2 3.3 43 43 A 37 ARG O A 64 GLU N 1.0 2.2 3.3 44 44 A 64 GLU H A 37 ARG O 1.0 1.2 2.3 45 45 A 64 GLU O A 37 ARG N 1.0 2.2 3.3 46 46 A 37 ARG H A 64 GLU O 1.0 1.2 2.3 47 47 A 35 LEU O A 66 GLU N 1.0 2.2 3.8 48 48 A 66 GLU H A 35 LEU O 1.0 1.2 2.8 49 49 A 66 GLU O A 35 LEU N 1.0 2.2 3.8 50 50 A 35 LEU H A 66 GLU O 1.0 1.2 2.8 51 51 A 33 GLU O A 68 THR N 1.0 2.2 3.8 52 52 A 68 THR H A 33 GLU O 1.0 1.2 2.8 53 53 A 68 THR O A 33 GLU N 1.0 2.2 3.8 54 54 A 33 GLU H A 68 THR O 1.0 1.2 2.8 55 55 A 61 ARG O A 9 ILE N 1.0 2.2 3.8 56 56 A 9 ILE H A 61 ARG O 1.0 1.2 2.8 57 57 A 9 ILE O A 60 GLY N 1.0 2.2 3.3 58 58 A 60 GLY H A 9 ILE O 1.0 1.2 2.3 59 59 A 65 VAL O A 5 GLN N 1.0 2.2 3.8 60 60 A 5 GLN H A 65 VAL O 1.0 1.2 2.8 61 61 A 5 GLN O A 65 VAL N 1.0 2.2 3.3 62 62 A 65 VAL H A 5 GLN O 1.0 1.2 2.3 63 63 A 63 ILE O A 7 VAL N 1.0 2.2 3.6 64 64 A 7 VAL H A 63 ILE O 1.0 1.2 2.6 65 65 A 7 VAL O A 63 ILE N 1.0 2.2 3.3 66 66 A 63 ILE H A 7 VAL O 1.0 1.2 2.3 67 67 A 67 ALA O A 3 VAL N 1.0 2.2 3.3 68 68 A 3 VAL H A 67 ALA O 1.0 1.2 2.3 69 69 A 3 VAL O A 67 ALA N 1.0 2.2 3.3 70 70 A 67 ALA H A 3 VAL O 1.0 1.2 2.3 71 71 A 44 ALA O A 36 LEU N 1.0 2.2 3.3 72 72 A 36 LEU H A 44 ALA O 1.0 1.2 2.3 73 73 A 36 LEU O A 44 ALA N 1.0 2.2 3.3 74 74 A 44 ALA H A 36 LEU O 1.0 1.2 2.3 75 75 A 42 THR O A 38 ASN N 1.0 2.2 3.3 76 76 A 38 ASN H A 42 THR O 1.0 1.2 2.3 77 77 A 38 ASN O A 42 THR N 1.0 2.2 3.3 78 78 A 42 THR H A 38 ASN O 1.0 1.2 2.3 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 THR C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -143.0 -93.0 PHI 2 2 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 LYS N 1.0 119.0 159.0 PSI 3 3 A 3 VAL C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -151.0 -101.0 PHI 4 4 A 4 LYS N A 4 LYS CA A 4 LYS C A 5 GLN N 1.0 115.0 165.0 PSI 5 5 A 4 LYS C A 5 GLN N A 5 GLN CA A 5 GLN C 1.0 -161.0 -121.0 PHI 6 6 A 5 GLN N A 5 GLN CA A 5 GLN C A 6 THR N 1.0 101.0 151.0 PSI 7 7 A 5 GLN C A 6 THR N A 6 THR CA A 6 THR C 1.0 -112.0 -72.0 PHI 8 8 A 6 THR N A 6 THR CA A 6 THR C A 7 VAL N 1.0 108.0 148.0 PSI 9 9 A 6 THR C A 7 VAL N A 7 VAL CA A 7 VAL C 1.0 -139.0 -99.0 PHI 10 10 A 7 VAL N A 7 VAL CA A 7 VAL C A 8 GLU N 1.0 119.0 159.0 PSI 11 11 A 7 VAL C A 8 GLU N A 8 GLU CA A 8 GLU C 1.0 -104.0 -64.0 PHI 12 12 A 8 GLU N A 8 GLU CA A 8 GLU C A 9 ILE N 1.0 99.0 139.0 PSI 13 13 A 8 GLU C A 9 ILE N A 9 ILE CA A 9 ILE C 1.0 -117.0 -57.0 PHI 14 14 A 9 ILE N A 9 ILE CA A 9 ILE C A 10 THR N 1.0 85.0 165.0 PSI 15 15 A 18 ARG C A 19 PRO N A 19 PRO CA A 19 PRO C 1.0 -79.0 -39.0 PHI 16 16 A 19 PRO N A 19 PRO CA A 19 PRO C A 20 ALA N 1.0 -46.0 -6.0 PSI 17 17 A 19 PRO C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -89.0 -49.0 PHI 18 18 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 MET N 1.0 -52.0 -12.0 PSI 19 19 A 20 ALA C A 21 MET N A 21 MET CA A 21 MET C 1.0 -88.0 -48.0 PHI 20 20 A 21 MET N A 21 MET CA A 21 MET C A 22 LYS N 1.0 -50.0 -10.0 PSI 21 21 A 21 MET C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -87.0 -47.0 PHI 22 22 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 LEU N 1.0 -56.0 -16.0 PSI 23 23 A 22 LYS C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -87.0 -37.0 PHI 24 24 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 PHE N 1.0 -63.0 -23.0 PSI 25 25 A 23 LEU C A 24 PHE N A 24 PHE CA A 24 PHE C 1.0 -83.0 -43.0 PHI 26 26 A 24 PHE N A 24 PHE CA A 24 PHE C A 25 GLU N 1.0 -59.0 -19.0 PSI 27 27 A 24 PHE C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -83.0 -43.0 PHI 28 28 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 LEU N 1.0 -63.0 -23.0 PSI 29 29 A 25 GLU C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -84.0 -44.0 PHI 30 30 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 MET N 1.0 -54.0 -14.0 PSI 31 31 A 26 LEU C A 27 MET N A 27 MET CA A 27 MET C 1.0 -87.0 -47.0 PHI 32 32 A 27 MET N A 27 MET CA A 27 MET C A 28 GLN N 1.0 -46.0 -6.0 PSI 33 33 A 27 MET C A 28 GLN N A 28 GLN CA A 28 GLN C 1.0 -106.0 -66.0 PHI 34 34 A 28 GLN N A 28 GLN CA A 28 GLN C A 29 GLY N 1.0 -38.0 2.0 PSI 35 35 A 29 GLY C A 30 PHE N A 30 PHE CA A 30 PHE C 1.0 -148.0 -108.0 PHI 36 36 A 30 PHE N A 30 PHE CA A 30 PHE C A 31 ASP N 1.0 125.0 165.0 PSI 37 37 A 30 PHE C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 -108.0 -68.0 PHI 38 38 A 31 ASP N A 31 ASP CA A 31 ASP C A 32 ALA N 1.0 102.0 142.0 PSI 39 39 A 32 ALA C A 33 GLU N A 33 GLU CA A 33 GLU C 1.0 -123.0 -73.0 PHI 40 40 A 33 GLU N A 33 GLU CA A 33 GLU C A 34 VAL N 1.0 88.0 168.0 PSI 41 41 A 33 GLU C A 34 VAL N A 34 VAL CA A 34 VAL C 1.0 -141.0 -81.0 PHI 42 42 A 34 VAL N A 34 VAL CA A 34 VAL C A 35 LEU N 1.0 109.0 149.0 PSI 43 43 A 34 VAL C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -141.0 -101.0 PHI 44 44 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 LEU N 1.0 123.0 163.0 PSI 45 45 A 35 LEU C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -120.0 -78.0 PHI 46 46 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 ARG N 1.0 118.0 158.0 PSI 47 47 A 36 LEU C A 37 ARG N A 37 ARG CA A 37 ARG C 1.0 -145.0 -95.0 PHI 48 48 A 37 ARG N A 37 ARG CA A 37 ARG C A 38 ASN N 1.0 119.0 159.0 PSI 49 49 A 37 ARG C A 38 ASN N A 38 ASN CA A 38 ASN C 1.0 -135.0 -83.0 PHI 50 50 A 38 ASN N A 38 ASN CA A 38 ASN C A 39 ASP N 1.0 131.0 171.0 PSI 51 51 A 39 ASP C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -116.0 -76.0 PHI 52 52 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 GLY N 1.0 -21.0 19.0 PSI 53 53 A 41 GLY C A 42 THR N A 42 THR CA A 42 THR C 1.0 -108.0 -68.0 PHI 54 54 A 42 THR N A 42 THR CA A 42 THR C A 43 GLU N 1.0 108.0 148.0 PSI 55 55 A 42 THR C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -136.0 -96.0 PHI 56 56 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 ALA N 1.0 132.0 172.0 PSI 57 57 A 43 GLU C A 44 ALA N A 44 ALA CA A 44 ALA C 1.0 -147.0 -101.0 PHI 58 58 A 44 ALA N A 44 ALA CA A 44 ALA C A 45 GLU N 1.0 121.0 161.0 PSI 59 59 A 44 ALA C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -108.0 -58.0 PHI 60 60 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 ALA N 1.0 112.0 156.0 PSI 61 61 A 48 SER C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -80.0 -40.0 PHI 62 62 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 ILE N 1.0 -59.0 -19.0 PSI 63 63 A 49 VAL C A 50 ILE N A 50 ILE CA A 50 ILE C 1.0 -90.0 -50.0 PHI 64 64 A 50 ILE N A 50 ILE CA A 50 ILE C A 51 ALA N 1.0 -61.0 -21.0 PSI 65 65 A 50 ILE C A 51 ALA N A 51 ALA CA A 51 ALA C 1.0 -85.0 -45.0 PHI 66 66 A 51 ALA N A 51 ALA CA A 51 ALA C A 52 LEU N 1.0 -59.0 -19.0 PSI 67 67 A 51 ALA C A 52 LEU N A 52 LEU CA A 52 LEU C 1.0 -84.0 -44.0 PHI 68 68 A 52 LEU N A 52 LEU CA A 52 LEU C A 53 LEU N 1.0 -62.0 -22.0 PSI 69 69 A 52 LEU C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -84.0 -44.0 PHI 70 70 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 MET N 1.0 -59.0 -19.0 PSI 71 71 A 53 LEU C A 54 MET N A 54 MET CA A 54 MET C 1.0 -83.0 -43.0 PHI 72 72 A 54 MET N A 54 MET CA A 54 MET C A 55 LEU N 1.0 -56.0 -16.0 PSI 73 73 A 54 MET C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -86.0 -46.0 PHI 74 74 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 ASP N 1.0 -62.0 -12.0 PSI 75 75 A 55 LEU C A 56 ASP N A 56 ASP CA A 56 ASP C 1.0 -85.0 -45.0 PHI 76 76 A 56 ASP N A 56 ASP CA A 56 ASP C A 57 SER N 1.0 -52.0 -12.0 PSI 77 77 A 61 ARG C A 62 GLN N A 62 GLN CA A 62 GLN C 1.0 -137.0 -93.0 PHI 78 78 A 62 GLN N A 62 GLN CA A 62 GLN C A 63 ILE N 1.0 130.0 170.0 PSI 79 79 A 62 GLN C A 63 ILE N A 63 ILE CA A 63 ILE C 1.0 -155.0 -105.0 PHI 80 80 A 63 ILE N A 63 ILE CA A 63 ILE C A 64 GLU N 1.0 121.0 161.0 PSI 81 81 A 63 ILE C A 64 GLU N A 64 GLU CA A 64 GLU C 1.0 -132.0 -92.0 PHI 82 82 A 64 GLU N A 64 GLU CA A 64 GLU C A 65 VAL N 1.0 101.0 141.0 PSI 83 83 A 64 GLU C A 65 VAL N A 65 VAL CA A 65 VAL C 1.0 -123.0 -83.0 PHI 84 84 A 65 VAL N A 65 VAL CA A 65 VAL C A 66 GLU N 1.0 104.0 144.0 PSI 85 85 A 65 VAL C A 66 GLU N A 66 GLU CA A 66 GLU C 1.0 -143.0 -93.0 PHI 86 86 A 66 GLU N A 66 GLU CA A 66 GLU C A 67 ALA N 1.0 117.0 157.0 PSI 87 87 A 66 GLU C A 67 ALA N A 67 ALA CA A 67 ALA C 1.0 -134.0 -94.0 PHI 88 88 A 67 ALA N A 67 ALA CA A 67 ALA C A 68 THR N 1.0 118.0 158.0 PSI 89 89 A 67 ALA C A 68 THR N A 68 THR CA A 68 THR C 1.0 -153.0 -83.0 PHI 90 90 A 68 THR N A 68 THR CA A 68 THR C A 69 GLY N 1.0 104.0 144.0 PSI 91 91 A 71 GLN C A 72 GLU N A 72 GLU CA A 72 GLU C 1.0 -85.0 -45.0 PHI 92 92 A 72 GLU N A 72 GLU CA A 72 GLU C A 73 GLU N 1.0 -54.0 -14.0 PSI 93 93 A 72 GLU C A 73 GLU N A 73 GLU CA A 73 GLU C 1.0 -84.0 -44.0 PHI 94 94 A 73 GLU N A 73 GLU CA A 73 GLU C A 74 GLU N 1.0 -61.0 -21.0 PSI 95 95 A 73 GLU C A 74 GLU N A 74 GLU CA A 74 GLU C 1.0 -88.0 -48.0 PHI 96 96 A 74 GLU N A 74 GLU CA A 74 GLU C A 75 ALA N 1.0 -59.0 -19.0 PSI 97 97 A 74 GLU C A 75 ALA N A 75 ALA CA A 75 ALA C 1.0 -88.0 -48.0 PHI 98 98 A 75 ALA N A 75 ALA CA A 75 ALA C A 76 LEU N 1.0 -56.0 -16.0 PSI 99 99 A 75 ALA C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -89.0 -49.0 PHI 100 100 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 ALA N 1.0 -54.0 -14.0 PSI 101 101 A 76 LEU C A 77 ALA N A 77 ALA CA A 77 ALA C 1.0 -83.0 -43.0 PHI 102 102 A 77 ALA N A 77 ALA CA A 77 ALA C A 78 ALA N 1.0 -59.0 -19.0 PSI 103 103 A 77 ALA C A 78 ALA N A 78 ALA CA A 78 ALA C 1.0 -86.0 -46.0 PHI 104 104 A 78 ALA N A 78 ALA CA A 78 ALA C A 79 VAL N 1.0 -63.0 -23.0 PSI 105 105 A 78 ALA C A 79 VAL N A 79 VAL CA A 79 VAL C 1.0 -87.0 -47.0 PHI 106 106 A 79 VAL N A 79 VAL CA A 79 VAL C A 80 ILE N 1.0 -60.0 -20.0 PSI 107 107 A 79 VAL C A 80 ILE N A 80 ILE CA A 80 ILE C 1.0 -89.0 -49.0 PHI 108 108 A 80 ILE N A 80 ILE CA A 80 ILE C A 81 ALA N 1.0 -60.0 -20.0 PSI 109 109 A 80 ILE C A 81 ALA N A 81 ALA CA A 81 ALA C 1.0 -83.0 -43.0 PHI 110 110 A 81 ALA N A 81 ALA CA A 81 ALA C A 82 LEU N 1.0 -58.0 -18.0 PSI 111 111 A 81 ALA C A 82 LEU N A 82 LEU CA A 82 LEU C 1.0 -90.0 -50.0 PHI 112 112 A 82 LEU N A 82 LEU CA A 82 LEU C A 83 PHE N 1.0 -56.0 -16.0 PSI stop_ save_