data_nef_c30221_5ubs 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 BMRB 30220 BMRB 30222 BMRB 30223 PDB 5UBS 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 PHE middle . . 4 A 4 LYS middle . . 5 A 5 LEU middle . . 6 A 6 ILE middle . . 7 A 7 ILE middle . . 8 A 8 ASN middle . . 9 A 9 GLY middle . false 10 A 10 LYS middle . . 11 A 11 THR middle . . 12 A 12 LEU middle . . 13 A 13 LYS middle . . 14 A 14 GLY middle . false 15 A 15 GLU middle . . 16 A 16 THR middle . . 17 A 17 THR middle . . 18 A 18 THR middle . . 19 A 19 GLU middle . . 20 A 20 ALA middle . . 21 A 21 VAL middle . . 22 A 22 ASP middle . . 23 A 23 ALA middle . . 24 A 24 ALA middle . . 25 A 25 THR middle . . 26 A 26 ALA middle . . 27 A 27 GLU middle . . 28 A 28 LYS middle . . 29 A 29 VAL middle . . 30 A 30 PHE middle . . 31 A 31 LYS middle . . 32 A 32 GLN middle . . 33 A 33 TYR middle . . 34 A 34 PHE middle . . 35 A 35 ASN middle . . 36 A 36 ASP middle . . 37 A 37 ASN middle . . 38 A 38 GLY middle . false 39 A 39 ILE middle . . 40 A 40 ASP middle . . 41 A 41 GLY middle . false 42 A 42 GLU middle . . 43 A 43 TRP middle . . 44 A 44 THR middle . . 45 A 45 TYR middle . . 46 A 46 ASP middle . . 47 A 47 ASP middle . . 48 A 48 ALA middle . . 49 A 49 THR middle . . 50 A 50 LYS middle . . 51 A 51 THR middle . . 52 A 52 PHE middle . . 53 A 53 THR middle . . 54 A 54 ILE middle . . 55 A 55 THR middle . . 56 A 56 GLU end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET H1 H 1 8.4420 0.0000 A 1 MET HA H 1 4.7220 0.0000 A 1 MET HBx H 1 1.9960 0.0000 A 1 MET HGy H 1 2.5010 0.0000 A 1 MET HGx H 1 2.3830 0.0000 A 1 MET C C 13 174.3020 0.0000 A 1 MET CA C 13 54.6800 0.0000 A 1 MET CB C 13 35.2870 0.0000 A 1 MET CG C 13 31.6740 0.0000 A 1 MET N N 15 120.1240 0.0000 A 2 THR H H 1 8.1610 0.0000 A 2 THR HA H 1 4.7910 0.0000 A 2 THR HB H 1 3.9380 0.0000 A 2 THR HG2% H 1 1.2470 0.0000 A 2 THR C C 13 174.3350 0.0000 A 2 THR CA C 13 63.7910 0.0000 A 2 THR CB C 13 69.3890 0.0000 A 2 THR CG2 C 13 22.0040 0.0000 A 2 THR N N 15 117.0650 0.0000 A 3 PHE H H 1 9.4270 0.0000 A 3 PHE HA H 1 5.3820 0.0000 A 3 PHE HBy H 1 3.3880 0.0000 A 3 PHE HBx H 1 2.9890 0.0000 A 3 PHE HDx H 1 7.4250 0.0000 A 3 PHE HEx H 1 7.1500 0.0000 A 3 PHE HZ H 1 7.0100 0.0000 A 3 PHE C C 13 174.3510 0.0000 A 3 PHE CA C 13 57.3830 0.0000 A 3 PHE CB C 13 44.0600 0.0000 A 3 PHE CDx C 13 129.6210 0.0000 A 3 PHE CEx C 13 128.3250 0.0000 A 3 PHE CZ C 13 127.8510 0.0000 A 3 PHE N N 15 126.7520 0.0000 A 4 LYS H H 1 8.8540 0.0000 A 4 LYS HA H 1 5.5270 0.0000 A 4 LYS HBx H 1 1.9190 0.0000 A 4 LYS HDx H 1 1.6810 0.0000 A 4 LYS HEx H 1 2.8140 0.0000 A 4 LYS HGx H 1 1.4790 0.0000 A 4 LYS C C 13 173.1500 0.0000 A 4 LYS CA C 13 54.8030 0.0000 A 4 LYS CB C 13 36.4140 0.0000 A 4 LYS CD C 13 29.0190 0.0000 A 4 LYS CE C 13 41.8250 0.0000 A 4 LYS CG C 13 25.6400 0.0000 A 4 LYS N N 15 122.1480 0.0000 A 5 LEU H H 1 9.2320 0.0000 A 5 LEU HA H 1 5.0660 0.0000 A 5 LEU HBy H 1 1.0270 0.0000 A 5 LEU HBx H 1 -0.7480 0.0000 A 5 LEU HDx% H 1 0.0970 0.0000 A 5 LEU HG H 1 0.0960 0.0000 A 5 LEU C C 13 175.0250 0.0000 A 5 LEU CA C 13 53.1620 0.0000 A 5 LEU CB C 13 42.5610 0.0000 A 5 LEU CDx C 13 24.3510 0.0000 A 5 LEU CG C 13 26.6940 0.0000 A 5 LEU N N 15 126.9460 0.0000 A 6 ILE H H 1 9.2060 0.0000 A 6 ILE HA H 1 4.3800 0.0000 A 6 ILE HB H 1 2.0190 0.0000 A 6 ILE HD1% H 1 0.8230 0.0000 A 6 ILE HG1x H 1 1.2090 0.0000 A 6 ILE HG2% H 1 0.8740 0.0000 A 6 ILE C C 13 174.5290 0.0000 A 6 ILE CA C 13 60.5250 0.0000 A 6 ILE CB C 13 38.0540 0.0000 A 6 ILE CD1 C 13 12.8140 0.0000 A 6 ILE CG1 C 13 27.5670 0.0000 A 6 ILE CG2 C 13 17.0810 0.0000 A 6 ILE N N 15 127.7440 0.0000 A 7 ILE H H 1 8.5920 0.0000 A 7 ILE HA H 1 3.9560 0.0000 A 7 ILE HB H 1 1.3630 0.0000 A 7 ILE HD1% H 1 0.2650 0.0000 A 7 ILE HG1y H 1 0.9610 0.0000 A 7 ILE HG1x H 1 0.1360 0.0000 A 7 ILE HG2% H 1 0.5260 0.0000 A 7 ILE C C 13 174.9330 0.0000 A 7 ILE CA C 13 60.7810 0.0000 A 7 ILE CB C 13 39.4600 0.0000 A 7 ILE CD1 C 13 15.0190 0.0000 A 7 ILE CG1 C 13 27.6190 0.0000 A 7 ILE CG2 C 13 17.9250 0.0000 A 7 ILE N N 15 126.3220 0.0000 A 8 ASN H H 1 8.9740 0.0000 A 8 ASN HA H 1 5.3650 0.0000 A 8 ASN HBy H 1 3.0750 0.0000 A 8 ASN HBx H 1 2.6390 0.0000 A 8 ASN HD2y H 1 7.3140 0.0000 A 8 ASN HD2x H 1 6.7870 0.0000 A 8 ASN C C 13 175.4740 0.0000 A 8 ASN CA C 13 51.1390 0.0000 A 8 ASN CB C 13 37.7690 0.0000 A 8 ASN N N 15 129.6670 0.0000 A 8 ASN ND2 N 15 111.7020 0.0000 A 9 GLY H H 1 7.5780 0.0000 A 9 GLY HAy H 1 4.5530 0.0000 A 9 GLY HAx H 1 4.1440 0.0000 A 9 GLY C C 13 173.9260 0.0000 A 9 GLY CA C 13 44.5420 0.0000 A 9 GLY N N 15 108.9210 0.0000 A 10 LYS H H 1 9.3960 0.0000 A 10 LYS HA H 1 4.1760 0.0000 A 10 LYS HBx H 1 1.8670 0.0000 A 10 LYS HDx H 1 1.6910 0.0000 A 10 LYS HEx H 1 3.0140 0.0000 A 10 LYS HGx H 1 1.4910 0.0000 A 10 LYS C C 13 178.7770 0.0000 A 10 LYS CA C 13 58.8350 0.0000 A 10 LYS CB C 13 32.8480 0.0000 A 10 LYS CD C 13 29.0390 0.0000 A 10 LYS CE C 13 41.9820 0.0000 A 10 LYS CG C 13 25.7400 0.0000 A 10 LYS N N 15 120.1410 0.0000 A 11 THR H H 1 8.6260 0.0000 A 11 THR HA H 1 4.4870 0.0000 A 11 THR HB H 1 4.2940 0.0000 A 11 THR HG2% H 1 1.2270 0.0000 A 11 THR C C 13 173.3590 0.0000 A 11 THR CA C 13 62.2810 0.0000 A 11 THR CB C 13 70.0250 0.0000 A 11 THR CG2 C 13 22.2040 0.0000 A 11 THR N N 15 110.0460 0.0000 A 12 LEU H H 1 7.4930 0.0000 A 12 LEU HA H 1 5.1380 0.0000 A 12 LEU HBy H 1 1.3130 0.0000 A 12 LEU HBx H 1 1.1210 0.0000 A 12 LEU HDx% H 1 0.5840 0.0000 A 12 LEU HDy% H 1 0.9680 0.0000 A 12 LEU HG H 1 1.4500 0.0000 A 12 LEU C C 13 173.7720 0.0000 A 12 LEU CA C 13 54.0000 0.0000 A 12 LEU CB C 13 45.5300 0.0000 A 12 LEU CDy C 13 25.2670 0.0000 A 12 LEU CDx C 13 24.7240 0.0000 A 12 LEU CG C 13 27.1650 0.0000 A 12 LEU N N 15 125.7870 0.0000 A 13 LYS H H 1 8.2180 0.0000 A 13 LYS HA H 1 5.2350 0.0000 A 13 LYS HBy H 1 1.8770 0.0000 A 13 LYS HDy H 1 1.8220 0.0000 A 13 LYS HDx H 1 1.6810 0.0000 A 13 LYS HEx H 1 3.0070 0.0000 A 13 LYS HGx H 1 1.4910 0.0000 A 13 LYS C C 13 176.0310 0.0000 A 13 LYS CA C 13 53.8140 0.0000 A 13 LYS CB C 13 36.6250 0.0000 A 13 LYS CD C 13 29.1490 0.0000 A 13 LYS CE C 13 42.4820 0.0000 A 13 LYS CG C 13 25.5400 0.0000 A 13 LYS N N 15 120.7040 0.0000 A 14 GLY H H 1 8.3630 0.0000 A 14 GLY HAy H 1 4.9550 0.0000 A 14 GLY HAx H 1 4.2600 0.0000 A 14 GLY C C 13 171.7490 0.0000 A 14 GLY CA C 13 46.2700 0.0000 A 14 GLY N N 15 106.4050 0.0000 A 15 GLU H H 1 8.4890 0.0000 A 15 GLU HA H 1 5.7030 0.0000 A 15 GLU HBx H 1 2.0540 0.0000 A 15 GLU HGx H 1 2.2340 0.0000 A 15 GLU C C 13 175.4310 0.0000 A 15 GLU CA C 13 55.2300 0.0000 A 15 GLU CB C 13 33.6340 0.0000 A 15 GLU CG C 13 36.4060 0.0000 A 15 GLU N N 15 120.2460 0.0000 A 16 THR H H 1 9.2200 0.0000 A 16 THR HA H 1 5.6830 0.0000 A 16 THR HB H 1 4.3640 0.0000 A 16 THR HG2% H 1 1.0710 0.0000 A 16 THR C C 13 173.3390 0.0000 A 16 THR CA C 13 59.8250 0.0000 A 16 THR CB C 13 73.1720 0.0000 A 16 THR CG2 C 13 21.9720 0.0000 A 16 THR N N 15 113.9930 0.0000 A 17 THR H H 1 9.7500 0.0000 A 17 THR HA H 1 6.0190 0.0000 A 17 THR HB H 1 4.3640 0.0000 A 17 THR HG2% H 1 1.2460 0.0000 A 17 THR C C 13 173.6330 0.0000 A 17 THR CA C 13 60.0210 0.0000 A 17 THR CB C 13 73.1340 0.0000 A 17 THR CG2 C 13 21.1690 0.0000 A 17 THR N N 15 111.1490 0.0000 A 18 THR H H 1 8.8960 0.0000 A 18 THR HA H 1 4.8590 0.0000 A 18 THR HB H 1 3.9070 0.0000 A 18 THR HG2% H 1 0.5530 0.0000 A 18 THR C C 13 171.1550 0.0000 A 18 THR CA C 13 61.6540 0.0000 A 18 THR CB C 13 70.9390 0.0000 A 18 THR CG2 C 13 17.8970 0.0000 A 18 THR N N 15 113.7310 0.0000 A 19 GLU H H 1 8.0880 0.0000 A 19 GLU HA H 1 5.5370 0.0000 A 19 GLU HBx H 1 1.8980 0.0000 A 19 GLU HGx H 1 2.1420 0.0000 A 19 GLU C C 13 177.4660 0.0000 A 19 GLU CA C 13 54.8000 0.0000 A 19 GLU CB C 13 31.2290 0.0000 A 19 GLU CG C 13 36.6410 0.0000 A 19 GLU N N 15 124.7740 0.0000 A 20 ALA H H 1 9.4310 0.0000 A 20 ALA HA H 1 4.9840 0.0000 A 20 ALA HB% H 1 1.3900 0.0000 A 20 ALA C C 13 177.4630 0.0000 A 20 ALA CA C 13 51.0060 0.0000 A 20 ALA CB C 13 23.5760 0.0000 A 20 ALA N N 15 125.4250 0.0000 A 21 VAL H H 1 8.4630 0.0000 A 21 VAL HA H 1 4.2010 0.0000 A 21 VAL HB H 1 2.2070 0.0000 A 21 VAL HGx% H 1 0.9990 0.0000 A 21 VAL HGy% H 1 0.9990 0.0000 A 21 VAL C C 13 174.7960 0.0000 A 21 VAL CA C 13 63.8590 0.0000 A 21 VAL CB C 13 32.1370 0.0000 A 21 VAL CGy C 13 21.0500 0.0000 A 21 VAL CGx C 13 19.9120 0.0000 A 21 VAL N N 15 114.1490 0.0000 A 22 ASP H H 1 7.2870 0.0000 A 22 ASP HA H 1 4.7110 0.0000 A 22 ASP HBx H 1 3.0940 0.0000 A 22 ASP C C 13 174.2140 0.0000 A 22 ASP CA C 13 52.7950 0.0000 A 22 ASP CB C 13 42.3660 0.0000 A 22 ASP N N 15 113.5890 0.0000 A 23 ALA H H 1 8.6490 0.0000 A 23 ALA HA H 1 3.2040 0.0000 A 23 ALA HB% H 1 1.2120 0.0000 A 23 ALA C C 13 179.1210 0.0000 A 23 ALA CA C 13 54.9270 0.0000 A 23 ALA CB C 13 17.6830 0.0000 A 23 ALA N N 15 122.0520 0.0000 A 24 ALA H H 1 8.1510 0.0000 A 24 ALA HA H 1 4.0470 0.0000 A 24 ALA HB% H 1 1.3420 0.0000 A 24 ALA C C 13 181.0160 0.0000 A 24 ALA CA C 13 54.9480 0.0000 A 24 ALA CB C 13 17.8670 0.0000 A 24 ALA N N 15 120.6870 0.0000 A 25 THR H H 1 8.3420 0.0000 A 25 THR HA H 1 3.7520 0.0000 A 25 THR HB H 1 4.0680 0.0000 A 25 THR HG2% H 1 1.2760 0.0000 A 25 THR C C 13 175.8620 0.0000 A 25 THR CA C 13 67.0660 0.0000 A 25 THR CB C 13 67.6830 0.0000 A 25 THR CG2 C 13 20.9690 0.0000 A 25 THR N N 15 116.1590 0.0000 A 26 ALA H H 1 7.4710 0.0000 A 26 ALA HA H 1 3.2640 0.0000 A 26 ALA HB% H 1 0.7090 0.0000 A 26 ALA C C 13 177.1770 0.0000 A 26 ALA CA C 13 55.1990 0.0000 A 26 ALA CB C 13 17.8140 0.0000 A 26 ALA N N 15 123.8510 0.0000 A 27 GLU H H 1 8.3860 0.0000 A 27 GLU HA H 1 3.0290 0.0000 A 27 GLU HBy H 1 2.0830 0.0000 A 27 GLU HBx H 1 1.8820 0.0000 A 27 GLU HGx H 1 1.7200 0.0000 A 27 GLU C C 13 177.2460 0.0000 A 27 GLU CA C 13 59.9940 0.0000 A 27 GLU CB C 13 29.4940 0.0000 A 27 GLU CG C 13 35.9760 0.0000 A 27 GLU N N 15 116.5900 0.0000 A 28 LYS H H 1 7.0170 0.0000 A 28 LYS HA H 1 3.7640 0.0000 A 28 LYS HBx H 1 1.8800 0.0000 A 28 LYS HDx H 1 1.6240 0.0000 A 28 LYS HEx H 1 2.9120 0.0000 A 28 LYS HGy H 1 1.5510 0.0000 A 28 LYS HGx H 1 1.3470 0.0000 A 28 LYS C C 13 179.4510 0.0000 A 28 LYS CA C 13 59.5790 0.0000 A 28 LYS CB C 13 32.2980 0.0000 A 28 LYS CD C 13 29.2390 0.0000 A 28 LYS CE C 13 41.8440 0.0000 A 28 LYS CG C 13 25.1360 0.0000 A 28 LYS N N 15 116.1470 0.0000 A 29 VAL H H 1 7.6090 0.0000 A 29 VAL HA H 1 3.6430 0.0000 A 29 VAL HB H 1 1.8880 0.0000 A 29 VAL HGx% H 1 0.9760 0.0000 A 29 VAL HGy% H 1 0.8810 0.0000 A 29 VAL CA C 13 66.4980 0.0000 A 29 VAL CB C 13 31.5080 0.0000 A 29 VAL CGy C 13 21.9200 0.0000 A 29 VAL CGx C 13 20.8570 0.0000 A 29 VAL N N 15 120.5780 0.0000 A 30 PHE H H 1 8.4240 0.0000 A 30 PHE HA H 1 4.7750 0.0000 A 30 PHE HBy H 1 3.4980 0.0000 A 30 PHE HBx H 1 3.0420 0.0000 A 30 PHE HDx H 1 6.8280 0.0000 A 30 PHE HEx H 1 7.3780 0.0000 A 30 PHE HZ H 1 7.1640 0.0000 A 30 PHE C C 13 179.1530 0.0000 A 30 PHE CA C 13 60.5760 0.0000 A 30 PHE CB C 13 38.8780 0.0000 A 30 PHE CDx C 13 128.3710 0.0000 A 30 PHE CEx C 13 129.8640 0.0000 A 30 PHE CZ C 13 126.1820 0.0000 A 30 PHE N N 15 117.5560 0.0000 A 31 LYS H H 1 8.7060 0.0000 A 31 LYS HA H 1 4.2870 0.0000 A 31 LYS HBx H 1 1.6970 0.0000 A 31 LYS HDx H 1 1.1510 0.0000 A 31 LYS HEy H 1 1.6680 0.0000 A 31 LYS HEx H 1 1.5830 0.0000 A 31 LYS HGy H 1 1.0870 0.0000 A 31 LYS HGx H 1 0.7120 0.0000 A 31 LYS C C 13 178.0730 0.0000 A 31 LYS CA C 13 59.2550 0.0000 A 31 LYS CB C 13 32.5030 0.0000 A 31 LYS CD C 13 29.2070 0.0000 A 31 LYS CE C 13 41.0100 0.0000 A 31 LYS CG C 13 27.3050 0.0000 A 31 LYS N N 15 117.6310 0.0000 A 32 GLN H H 1 7.7520 0.0000 A 32 GLN HA H 1 4.0020 0.0000 A 32 GLN HBy H 1 2.0760 0.0000 A 32 GLN HBx H 1 1.9700 0.0000 A 32 GLN HE2y H 1 7.1330 0.0000 A 32 GLN HE2x H 1 6.7120 0.0000 A 32 GLN HGx H 1 2.2920 0.0000 A 32 GLN C C 13 177.3210 0.0000 A 32 GLN CA C 13 58.3740 0.0000 A 32 GLN CB C 13 28.2120 0.0000 A 32 GLN CG C 13 33.6820 0.0000 A 32 GLN N N 15 119.1650 0.0000 A 32 GLN NE2 N 15 111.1110 0.0000 A 33 TYR H H 1 7.3130 0.0000 A 33 TYR HA H 1 4.3420 0.0000 A 33 TYR HBy H 1 2.6410 0.0000 A 33 TYR HBx H 1 2.5000 0.0000 A 33 TYR HDx H 1 7.2100 0.0000 A 33 TYR HEx H 1 6.864 0.0000 A 33 TYR C C 13 175.7690 0.0000 A 33 TYR CA C 13 60.1700 0.0000 A 33 TYR CB C 13 40.0880 0.0000 A 33 TYR CDx C 13 131.0730 0.0000 A 33 TYR CEx C 13 116.9440 0.0000 A 33 TYR N N 15 115.4620 0.0000 A 34 PHE H H 1 8.2020 0.0000 A 34 PHE HA H 1 4.9190 0.0000 A 34 PHE HBy H 1 3.2680 0.0000 A 34 PHE HBx H 1 2.9780 0.0000 A 34 PHE HDx H 1 7.3580 0.0000 A 34 PHE HEx H 1 7.1210 0.0000 A 34 PHE HZ H 1 6.7040 0.0000 A 34 PHE C C 13 174.8460 0.0000 A 34 PHE CA C 13 57.9950 0.0000 A 34 PHE CB C 13 39.8140 0.0000 A 34 PHE CDx C 13 129.9040 0.0000 A 34 PHE CEx C 13 127.9210 0.0000 A 34 PHE CZ C 13 115.6590 0.0000 A 34 PHE N N 15 116.7930 0.0000 A 35 ASN H H 1 8.3060 0.0000 A 35 ASN HA H 1 4.9490 0.0000 A 35 ASN HBx H 1 2.9780 0.0000 A 35 ASN HD2y H 1 7.5120 0.0000 A 35 ASN HD2x H 1 6.7960 0.0000 A 35 ASN C C 13 175.5980 0.0000 A 35 ASN CA C 13 53.5910 0.0000 A 35 ASN CB C 13 39.7090 0.0000 A 35 ASN N N 15 119.2340 0.0000 A 35 ASN ND2 N 15 112.9320 0.0000 A 36 ASP H H 1 8.5890 0.0000 A 36 ASP HA H 1 4.6080 0.0000 A 36 ASP HBx H 1 2.7530 0.0000 A 36 ASP C C 13 176.4000 0.0000 A 36 ASP CA C 13 55.2000 0.0000 A 36 ASP CB C 13 40.7010 0.0000 A 36 ASP N N 15 120.3140 0.0000 A 37 ASN H H 1 8.3680 0.0000 A 37 ASN HA H 1 4.7110 0.0000 A 37 ASN HBx H 1 2.8380 0.0000 A 37 ASN HD2y H 1 7.5190 0.0000 A 37 ASN HD2x H 1 6.7090 0.0000 A 37 ASN C C 13 175.6940 0.0000 A 37 ASN CA C 13 53.9310 0.0000 A 37 ASN CB C 13 38.7980 0.0000 A 37 ASN N N 15 117.3450 0.0000 A 37 ASN ND2 N 15 112.6140 0.0000 A 38 GLY H H 1 8.2860 0.0000 A 38 GLY HAx H 1 4.0060 0.0000 A 38 GLY C C 13 174.1690 0.0000 A 38 GLY CA C 13 45.9100 0.0000 A 38 GLY N N 15 107.6130 0.0000 A 39 ILE H H 1 8.0950 0.0000 A 39 ILE HA H 1 4.3080 0.0000 A 39 ILE HB H 1 1.9720 0.0000 A 39 ILE HD1% H 1 0.7340 0.0000 A 39 ILE HG1y H 1 1.5240 0.0000 A 39 ILE HG1x H 1 1.1290 0.0000 A 39 ILE HG2% H 1 0.8840 0.0000 A 39 ILE C C 13 174.7810 0.0000 A 39 ILE CA C 13 60.7620 0.0000 A 39 ILE CB C 13 39.0520 0.0000 A 39 ILE CD1 C 13 13.1660 0.0000 A 39 ILE CG1 C 13 27.6180 0.0000 A 39 ILE CG2 C 13 17.0810 0.0000 A 39 ILE N N 15 121.8920 0.0000 A 40 ASP H H 1 8.7820 0.0000 A 40 ASP HA H 1 4.9390 0.0000 A 40 ASP HBy H 1 2.8520 0.0000 A 40 ASP HBx H 1 2.6470 0.0000 A 40 ASP C C 13 175.3920 0.0000 A 40 ASP CA C 13 53.5560 0.0000 A 40 ASP CB C 13 41.1880 0.0000 A 40 ASP N N 15 127.4060 0.0000 A 41 GLY H H 1 8.0370 0.0000 A 41 GLY HAy H 1 4.4190 0.0000 A 41 GLY HAx H 1 3.6910 0.0000 A 41 GLY C C 13 172.4680 0.0000 A 41 GLY CA C 13 44.9990 0.0000 A 41 GLY N N 15 107.7200 0.0000 A 42 GLU H H 1 8.2800 0.0000 A 42 GLU HA H 1 3.8020 0.0000 A 42 GLU HBy H 1 2.1270 0.0000 A 42 GLU HBx H 1 2.0350 0.0000 A 42 GLU HGy H 1 2.3830 0.0000 A 42 GLU HGx H 1 2.2340 0.0000 A 42 GLU C C 13 176.5990 0.0000 A 42 GLU CA C 13 55.5960 0.0000 A 42 GLU CB C 13 31.9170 0.0000 A 42 GLU CG C 13 36.3960 0.0000 A 42 GLU N N 15 120.5530 0.0000 A 43 TRP H H 1 9.3610 0.0000 A 43 TRP HA H 1 5.5380 0.0000 A 43 TRP HBx H 1 3.2650 0.0000 A 43 TRP HD1 H 1 7.4530 0.0000 A 43 TRP HE1 H 1 10.5200 0.0000 A 43 TRP HE3 H 1 6.5670 0.0000 A 43 TRP HH2 H 1 6.9580 0.0000 A 43 TRP HZ2 H 1 7.4220 0.0000 A 43 TRP HZ3 H 1 6.8170 0.0000 A 43 TRP C C 13 177.1510 0.0000 A 43 TRP CA C 13 57.1890 0.0000 A 43 TRP CB C 13 29.6100 0.0000 A 43 TRP CD1 C 13 123.7070 0.0000 A 43 TRP CE3 C 13 118.3650 0.0000 A 43 TRP CH2 C 13 117.6020 0.0000 A 43 TRP CZ2 C 13 112.4000 0.0000 A 43 TRP CZ3 C 13 120.8210 0.0000 A 43 TRP N N 15 128.5070 0.0000 A 43 TRP NE1 N 15 130.8640 0.0000 A 44 THR H H 1 9.2220 0.0000 A 44 THR HA H 1 4.8800 0.0000 A 44 THR HB H 1 4.2850 0.0000 A 44 THR HG2% H 1 1.2270 0.0000 A 44 THR C C 13 172.9170 0.0000 A 44 THR CA C 13 60.5330 0.0000 A 44 THR CB C 13 72.1830 0.0000 A 44 THR CG2 C 13 22.1040 0.0000 A 44 THR N N 15 115.1240 0.0000 A 45 TYR H H 1 8.6240 0.0000 A 45 TYR HA H 1 5.0010 0.0000 A 45 TYR HBy H 1 2.9940 0.0000 A 45 TYR HBx H 1 2.5620 0.0000 A 45 TYR HDx H 1 7.4430 0.0000 A 45 TYR HEx H 1 6.3990 0.0000 A 45 TYR C C 13 173.2280 0.0000 A 45 TYR CA C 13 57.1740 0.0000 A 45 TYR CB C 13 41.6420 0.0000 A 45 TYR CDx C 13 129.6020 0.0000 A 45 TYR CEx C 13 114.7820 0.0000 A 45 TYR N N 15 120.5530 0.0000 A 46 ASP H H 1 7.6960 0.0000 A 46 ASP HA H 1 4.6210 0.0000 A 46 ASP HBy H 1 2.6220 0.0000 A 46 ASP HBx H 1 2.2670 0.0000 A 46 ASP C C 13 174.5030 0.0000 A 46 ASP CA C 13 51.9390 0.0000 A 46 ASP CB C 13 43.1420 0.0000 A 46 ASP N N 15 128.6570 0.0000 A 47 ASP H H 1 8.5470 0.0000 A 47 ASP HA H 1 4.1930 0.0000 A 47 ASP HBy H 1 2.8500 0.0000 A 47 ASP HBx H 1 2.5620 0.0000 A 47 ASP C C 13 178.1330 0.0000 A 47 ASP CA C 13 56.3390 0.0000 A 47 ASP CB C 13 42.2300 0.0000 A 47 ASP N N 15 124.9980 0.0000 A 48 ALA H H 1 8.3050 0.0000 A 48 ALA HA H 1 4.1280 0.0000 A 48 ALA HB% H 1 1.5320 0.0000 A 48 ALA C C 13 179.8650 0.0000 A 48 ALA CA C 13 55.0790 0.0000 A 48 ALA CB C 13 18.3390 0.0000 A 48 ALA N N 15 119.7500 0.0000 A 49 THR H H 1 6.9930 0.0000 A 49 THR HA H 1 4.8280 0.0000 A 49 THR HB H 1 4.4310 0.0000 A 49 THR HG2% H 1 1.1000 0.0000 A 49 THR C C 13 175.3330 0.0000 A 49 THR CA C 13 60.4480 0.0000 A 49 THR CB C 13 70.3290 0.0000 A 49 THR CG2 C 13 21.1990 0.0000 A 49 THR N N 15 104.736 0.0000 A 50 LYS H H 1 7.8390 0.0000 A 50 LYS HA H 1 4.2030 0.0000 A 50 LYS HBx H 1 1.9980 0.0000 A 50 LYS HDy H 1 1.5060 0.0000 A 50 LYS HDx H 1 1.3510 0.0000 A 50 LYS HEx H 1 2.9840 0.0000 A 50 LYS HGx H 1 1.2050 0.0000 A 50 LYS C C 13 174.8720 0.0000 A 50 LYS CA C 13 56.8250 0.0000 A 50 LYS CB C 13 29.2370 0.0000 A 50 LYS CD C 13 28.3170 0.0000 A 50 LYS CE C 13 42.7820 0.0000 A 50 LYS CG C 13 24.6960 0.0000 A 50 LYS N N 15 123.7630 0.0000 A 51 THR H H 1 7.3480 0.0000 A 51 THR HA H 1 5.5650 0.0000 A 51 THR HB H 1 3.8020 0.0000 A 51 THR HG2% H 1 1.0590 0.0000 A 51 THR C C 13 174.8040 0.0000 A 51 THR CA C 13 62.1610 0.0000 A 51 THR CB C 13 72.4110 0.0000 A 51 THR CG2 C 13 20.8880 0.0000 A 51 THR N N 15 111.2330 0.0000 A 52 PHE H H 1 10.5170 0.0000 A 52 PHE HA H 1 5.7670 0.0000 A 52 PHE HBy H 1 3.1520 0.0000 A 52 PHE HBx H 1 3.0740 0.0000 A 52 PHE HDx H 1 7.8160 0.0000 A 52 PHE HEx H 1 7.1720 0.0000 A 52 PHE HZ H 1 6.8160 0.0000 A 52 PHE C C 13 174.6560 0.0000 A 52 PHE CA C 13 57.1100 0.0000 A 52 PHE CB C 13 42.9530 0.0000 A 52 PHE CDx C 13 130.0410 0.0000 A 52 PHE CEx C 13 128.2630 0.0000 A 52 PHE CZ C 13 128.1980 0.0000 A 52 PHE N N 15 131.4950 0.0000 A 53 THR H H 1 9.0870 0.0000 A 53 THR HA H 1 5.2340 0.0000 A 53 THR HB H 1 3.8160 0.0000 A 53 THR HG2% H 1 0.9910 0.0000 A 53 THR C C 13 173.0210 0.0000 A 53 THR CA C 13 61.8200 0.0000 A 53 THR CB C 13 71.5650 0.0000 A 53 THR CG2 C 13 20.7500 0.0000 A 53 THR N N 15 116.9850 0.0000 A 54 ILE H H 1 8.3680 0.0000 A 54 ILE HA H 1 4.4850 0.0000 A 54 ILE HB H 1 0.6270 0.0000 A 54 ILE HD1% H 1 0.1730 0.0000 A 54 ILE HG1y H 1 0.4680 0.0000 A 54 ILE HG1x H 1 -0.4330 0.0000 A 54 ILE HG2% H 1 0.3760 0.0000 A 54 ILE C C 13 174.2570 0.0000 A 54 ILE CA C 13 58.9880 0.0000 A 54 ILE CB C 13 39.8930 0.0000 A 54 ILE CD1 C 13 13.9950 0.0000 A 54 ILE CG1 C 13 26.3800 0.0000 A 54 ILE CG2 C 13 16.7550 0.0000 A 54 ILE N N 15 124.0080 0.0000 A 55 THR H H 1 8.4480 0.0000 A 55 THR HA H 1 4.7350 0.0000 A 55 THR HB H 1 3.9790 0.0000 A 55 THR HG2% H 1 1.2790 0.0000 A 55 THR C C 13 173.6770 0.0000 A 55 THR CA C 13 61.6070 0.0000 A 55 THR CB C 13 70.5680 0.0000 A 55 THR CG2 C 13 21.2690 0.0000 A 55 THR N N 15 123.4510 0.0000 A 56 GLU H H 1 7.7870 0.0000 A 56 GLU HA H 1 4.3590 0.0000 A 56 GLU HBy H 1 2.2130 0.0000 A 56 GLU HBx H 1 1.8870 0.0000 A 56 GLU HGx H 1 2.3230 0.0000 A 56 GLU CA C 13 57.9540 0.0000 A 56 GLU CB C 13 33.0380 0.0000 A 56 GLU CG C 13 37.3110 0.0000 A 56 GLU N N 15 133.0270 0.0000 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 3 PHE HD% A 52 PHE H 1.0 . 4.23 2 2 A 52 PHE H A 45 TYR HA 1.0 . 4.93 3 3 A 52 PHE H A 51 THR HG2% 1.0 . 4.01 4 4 A 55 THR HA A 56 GLU H 1.0 . 3.16 5 5 A 56 GLU H A 55 THR HG2% 1.0 . 3.81 6 6 A 56 GLU H A 55 THR H 1.0 . 4.34 7 7 A 55 THR HA A 8 ASN H 1.0 . 4.47 8 8 A 8 ASN H A 53 THR HG2% 1.0 . 4.55 9 9 A 8 ASN H A 7 ILE HG2% 1.0 . 4.14 10 10 A 42 GLU H A 43 TRP H 1.0 . 4.59 11 11 A 43 TRP H A 43 TRP HD1 1.0 . 3.89 12 12 A 43 TRP H A 43 TRP HBx 1.0 . 3.73 13 12 A 43 TRP H A 43 TRP HBy 1.0 . 3.73 14 13 A 43 TRP H A 42 GLU HBy 1.0 . 4.67 15 14 A 6 ILE H A 6 ILE HB 1.0 . 4.08 16 15 A 6 ILE H A 4 LYS HGx 1.0 . 4.42 17 15 A 6 ILE H A 4 LYS HGy 1.0 . 4.42 18 16 A 6 ILE H A 6 ILE HG2% 1.0 . 4.07 19 17 A 5 LEU H A 17 THR HA 1.0 . 4.48 20 18 A 5 LEU H A 4 LYS HGx 1.0 . 4.42 21 18 A 4 LYS HGy A 5 LEU H 1.0 . 4.42 22 19 A 5 LEU H A 17 THR HG2% 1.0 . 4.63 23 20 A 51 THR HG2% A 5 LEU H 1.0 . 4.95 24 21 A 5 LEU H A 5 LEU HG 1.0 . 4.32 25 22 A 3 PHE H A 18 THR H 1.0 . 4.52 26 23 A 3 PHE H A 30 PHE HE% 1.0 . 4.11 27 24 A 3 PHE H A 19 GLU HA 1.0 . 4.24 28 25 A 3 PHE H A 2 THR HA 1.0 . 3.48 29 26 A 3 PHE H A 2 THR HG2% 1.0 . 4.42 30 27 A 17 THR HG2% A 3 PHE H 1.0 . 4.59 31 28 A 3 PHE H A 18 THR HG2% 1.0 . 4.53 32 29 A 19 GLU HA A 20 ALA H 1.0 . 3.28 33 30 A 2 THR HA A 20 ALA H 1.0 . 4.05 34 31 A 20 ALA H A 20 ALA HB% 1.0 . 3.94 35 32 A 45 TYR H A 46 ASP H 1.0 . 4.55 36 33 A 46 ASP H A 51 THR H 1.0 . 4.14 37 34 A 46 ASP H A 52 PHE HA 1.0 . 4.00 38 35 A 45 TYR HA A 46 ASP H 1.0 . 3.42 39 36 A 46 ASP H A 46 ASP HBy 1.0 . 3.80 40 37 A 46 ASP H A 46 ASP HBx 1.0 . 3.80 41 38 A 39 ILE HA A 40 ASP H 1.0 . 3.27 42 39 A 40 ASP H A 40 ASP HBx 1.0 . 3.82 43 40 A 40 ASP H A 40 ASP HBy 1.0 . 3.82 44 41 A 40 ASP H A 39 ILE HB 1.0 . 4.40 45 42 A 40 ASP H A 39 ILE HG2% 1.0 . 4.03 46 43 A 7 ILE H A 14 GLY H 1.0 . 4.12 47 44 A 7 ILE H A 15 GLU HA 1.0 . 4.31 48 45 A 7 ILE H A 6 ILE HA 1.0 . 3.45 49 46 A 6 ILE HB A 7 ILE H 1.0 . 4.70 50 47 A 7 ILE H A 15 GLU HBx 1.0 . 5.16 51 47 A 7 ILE H A 15 GLU HBy 1.0 . 5.16 52 48 A 6 ILE HG2% A 7 ILE H 1.0 . 3.79 53 49 A 7 ILE H A 54 ILE HD1% 1.0 . 5.29 54 50 A 47 ASP H A 48 ALA H 1.0 . 4.29 55 51 A 47 ASP H A 46 ASP HA 1.0 . 3.12 56 52 A 47 ASP H A 47 ASP HBy 1.0 . 3.63 57 53 A 47 ASP H A 47 ASP HBx 1.0 . 3.63 58 54 A 47 ASP H A 48 ALA HB% 1.0 . 4.39 59 55 A 12 LEU H A 13 LYS H 1.0 . 4.57 60 56 A 12 LEU H A 11 THR H 1.0 . 3.68 61 57 A 12 LEU H A 10 LYS H 1.0 . 4.61 62 58 A 12 LEU H A 11 THR HB 1.0 . 4.00 63 59 A 12 LEU H A 10 LYS HBx 1.0 . 5.50 64 59 A 12 LEU H A 10 LYS HBy 1.0 . 5.50 65 60 A 12 LEU H A 13 LYS HBx 1.0 . 5.50 66 60 A 12 LEU H A 13 LYS HBy 1.0 . 5.50 67 61 A 12 LEU H A 11 THR HG2% 1.0 . 3.90 68 62 A 25 THR H A 26 ALA H 1.0 . 3.65 69 63 A 26 ALA H A 27 GLU H 1.0 . 3.89 70 64 A 26 ALA H A 25 THR HB 1.0 . 3.75 71 65 A 20 ALA HB% A 26 ALA H 1.0 . 3.61 72 66 A 26 ALA H A 26 ALA HB% 1.0 . 3.45 73 67 A 51 THR H A 50 LYS H 1.0 . 3.52 74 68 A 50 LYS H A 49 THR H 1.0 . 3.39 75 69 A 48 ALA HB% A 50 LYS H 1.0 . 4.44 76 70 A 20 ALA H A 19 GLU H 1.0 . 4.78 77 71 A 19 GLU H A 18 THR HA 1.0 . 3.18 78 72 A 19 GLU H A 18 THR HB 1.0 . 4.17 79 73 A 19 GLU H A 19 GLU HBx 1.0 . 3.47 80 73 A 19 GLU H A 19 GLU HBy 1.0 . 3.47 81 74 A 18 THR HG2% A 19 GLU H 1.0 . 4.24 82 75 A 8 ASN H A 54 ILE H 1.0 . 4.50 83 76 A 54 ILE H A 7 ILE HA 1.0 . 4.46 84 77 A 53 THR HG2% A 54 ILE H 1.0 . 4.00 85 78 A 54 ILE H A 54 ILE HB 1.0 . 4.19 86 79 A 54 ILE H A 54 ILE HG2% 1.0 . 4.11 87 80 A 55 THR H A 43 TRP HA 1.0 . 4.42 88 81 A 55 THR H A 54 ILE HA 1.0 . 3.33 89 82 A 55 THR H A 55 THR HB 1.0 . 3.83 90 83 A 55 THR H A 42 GLU HBy 1.0 . 4.61 91 84 A 55 THR HG2% A 55 THR H 1.0 . 4.36 92 85 A 23 ALA H A 24 ALA H 1.0 . 3.98 93 86 A 23 ALA H A 22 ASP HA 1.0 . 3.36 94 87 A 23 ALA H A 22 ASP HBx 1.0 . 3.18 95 87 A 23 ALA H A 22 ASP HBy 1.0 . 3.18 96 88 A 23 ALA H A 23 ALA HB% 1.0 . 3.43 97 89 A 51 THR H A 4 LYS H 1.0 . 5.30 98 90 A 4 LYS H A 50 LYS HBx 1.0 . 4.88 99 90 A 4 LYS H A 50 LYS HBy 1.0 . 4.88 100 91 A 17 THR HG2% A 4 LYS H 1.0 . 4.67 101 92 A 10 LYS H A 10 LYS HBx 1.0 . 3.44 102 92 A 10 LYS H A 10 LYS HBy 1.0 . 3.44 103 93 A 10 LYS H A 10 LYS HGx 1.0 . 3.94 104 93 A 10 LYS H A 10 LYS HGy 1.0 . 3.94 105 94 A 53 THR H A 53 THR HB 1.0 . 4.13 106 95 A 53 THR HG2% A 53 THR H 1.0 . 4.36 107 96 A 30 PHE H A 31 LYS H 1.0 . 4.06 108 97 A 31 LYS H A 28 LYS HA 1.0 . 4.34 109 98 A 31 LYS H A 30 PHE HBx 1.0 . 4.30 110 99 A 31 LYS H A 31 LYS HBx 1.0 . 3.54 111 99 A 31 LYS H A 31 LYS HBy 1.0 . 3.54 112 100 A 31 LYS H A 31 LYS HGy 1.0 . 4.80 113 101 A 31 LYS H A 31 LYS HDx 1.0 . 5.16 114 101 A 31 LYS H A 31 LYS HDy 1.0 . 5.16 115 102 A 31 LYS H A 31 LYS HGx 1.0 . 4.80 116 103 A 40 ASP H A 39 ILE H 1.0 . 4.68 117 104 A 39 ILE H A 37 ASN HBx 1.0 . 4.57 118 104 A 39 ILE H A 37 ASN HBy 1.0 . 4.57 119 105 A 39 ILE HB A 39 ILE H 1.0 . 3.66 120 106 A 39 ILE H A 39 ILE HG1y 1.0 . 4.60 121 107 A 39 ILE H A 39 ILE HG1x 1.0 . 4.60 122 108 A 39 ILE HG2% A 39 ILE H 1.0 . 4.13 123 109 A 28 LYS H A 29 VAL H 1.0 . 3.86 124 110 A 30 PHE H A 29 VAL H 1.0 . 3.74 125 111 A 29 VAL H A 26 ALA HA 1.0 . 4.34 126 112 A 29 VAL H A 29 VAL HB 1.0 . 3.40 127 113 A 31 LYS H A 32 GLN H 1.0 . 3.95 128 114 A 32 GLN H A 33 TYR H 1.0 . 3.66 129 115 A 32 GLN H A 31 LYS HBx 1.0 . 3.81 130 115 A 31 LYS HBy A 32 GLN H 1.0 . 3.81 131 116 A 43 TRP HA A 44 THR H 1.0 . 3.17 132 117 A 54 ILE HA A 44 THR H 1.0 . 4.23 133 118 A 44 THR H A 43 TRP HBx 1.0 . 3.81 134 118 A 43 TRP HBy A 44 THR H 1.0 . 3.81 135 119 A 15 GLU H A 16 THR H 1.0 . 4.66 136 120 A 6 ILE HA A 16 THR H 1.0 . 4.70 137 121 A 16 THR H A 15 GLU HBx 1.0 . 4.01 138 121 A 15 GLU HBy A 16 THR H 1.0 . 4.01 139 122 A 16 THR H A 16 THR HG2% 1.0 . 4.05 140 123 A 15 GLU HA A 16 THR H 1.0 . 3.36 141 124 A 18 THR HA A 17 THR H 1.0 . 5.09 142 125 A 17 THR H A 16 THR HB 1.0 . 3.92 143 126 A 17 THR HG2% A 17 THR H 1.0 . 4.33 144 127 A 16 THR HG2% A 17 THR H 1.0 . 4.36 145 128 A 18 THR H A 30 PHE HE% 1.0 . 4.36 146 129 A 18 THR H A 4 LYS HA 1.0 . 4.48 147 130 A 18 THR H A 17 THR HB 1.0 . 3.95 148 131 A 18 THR H A 2 THR HB 1.0 . 4.60 149 132 A 17 THR HG2% A 18 THR H 1.0 . 4.00 150 133 A 18 THR H A 18 THR HG2% 1.0 . 4.28 151 134 A 20 ALA HA A 21 VAL H 1.0 . 3.17 152 135 A 21 VAL H A 21 VAL HB 1.0 . 3.68 153 136 A 20 ALA HB% A 21 VAL H 1.0 . 3.45 154 137 A 21 VAL H A 21 VAL HGx% 1.0 . 3.07 155 137 A 21 VAL H A 21 VAL HGy% 1.0 . 3.07 156 138 A 11 THR H A 10 LYS H 1.0 . 4.31 157 139 A 11 THR H A 10 LYS HBx 1.0 . 3.97 158 139 A 11 THR H A 10 LYS HBy 1.0 . 3.97 159 140 A 11 THR H A 10 LYS HGx 1.0 . 4.53 160 140 A 11 THR H A 10 LYS HGy 1.0 . 4.53 161 141 A 11 THR H A 11 THR HG2% 1.0 . 4.30 162 142 A 38 GLY H A 37 ASN HBx 1.0 . 4.28 163 142 A 37 ASN HBy A 38 GLY H 1.0 . 4.28 164 143 A 14 GLY H A 13 LYS HA 1.0 . 3.45 165 144 A 14 GLY H A 7 ILE HB 1.0 . 3.89 166 145 A 14 GLY H A 7 ILE HD1% 1.0 . 4.52 167 146 A 40 ASP H A 41 GLY H 1.0 . 4.53 168 147 A 41 GLY H A 40 ASP HA 1.0 . 3.09 169 148 A 41 GLY H A 40 ASP HBx 1.0 . 4.49 170 149 A 41 GLY H A 40 ASP HBy 1.0 . 4.49 171 150 A 39 ILE HG2% A 41 GLY H 1.0 . 4.42 172 151 A 10 LYS H A 9 GLY H 1.0 . 4.55 173 152 A 9 GLY H A 8 ASN HA 1.0 . 3.45 174 153 A 7 ILE HG2% A 9 GLY H 1.0 . 4.29 175 154 A 33 TYR H A 34 PHE H 1.0 . 3.66 176 155 A 33 TYR H A 34 PHE HD% 1.0 . 4.49 177 156 A 21 VAL H A 22 ASP H 1.0 . 3.48 178 157 A 25 THR HB A 22 ASP H 1.0 . 3.37 179 158 A 22 ASP H A 25 THR HA 1.0 . 5.50 180 159 A 22 ASP H A 22 ASP HBx 1.0 . 3.55 181 159 A 22 ASP HBy A 22 ASP H 1.0 . 3.55 182 160 A 21 VAL HB A 22 ASP H 1.0 . 3.93 183 161 A 20 ALA HB% A 22 ASP H 1.0 . 3.18 184 162 A 22 ASP H A 21 VAL HGx% 1.0 . 3.11 185 162 A 21 VAL HGy% A 22 ASP H 1.0 . 3.11 186 163 A 28 LYS H A 28 LYS HDx 1.0 . 4.07 187 163 A 28 LYS H A 28 LYS HDy 1.0 . 4.07 188 164 A 28 LYS H A 28 LYS HBx 1.0 . 3.26 189 164 A 28 LYS H A 28 LYS HBy 1.0 . 3.26 190 165 A 51 THR H A 50 LYS HA 1.0 . 3.41 191 166 A 51 THR H A 51 THR HB 1.0 . 3.42 192 167 A 51 THR H A 50 LYS HBx 1.0 . 4.24 193 167 A 51 THR H A 50 LYS HBy 1.0 . 4.24 194 168 A 51 THR HG2% A 51 THR H 1.0 . 3.89 195 169 A 51 THR H A 49 THR H 1.0 . 3.41 196 170 A 25 THR H A 25 THR HB 1.0 . 3.80 197 171 A 25 THR H A 23 ALA HA 1.0 . 4.61 198 172 A 25 THR H A 24 ALA HB% 1.0 . 3.47 199 173 A 25 THR H A 21 VAL HGx% 1.0 . 4.53 200 173 A 25 THR H A 21 VAL HGy% 1.0 . 4.53 201 174 A 25 THR H A 26 ALA HB% 1.0 . 4.59 202 175 A 27 GLU H A 28 LYS H 1.0 . 3.80 203 176 A 27 GLU H A 24 ALA HA 1.0 . 4.15 204 177 A 27 GLU H A 27 GLU HBx 1.0 . 3.84 205 178 A 27 GLU H A 27 GLU HBy 1.0 . 3.84 206 179 A 27 GLU H A 26 ALA HB% 1.0 . 3.92 207 180 A 1 MET HA A 2 THR H 1.0 . 3.00 208 181 A 2 THR HB A 2 THR H 1.0 . 3.80 209 182 A 2 THR H A 1 MET HBx 1.0 . 3.64 210 182 A 2 THR H A 1 MET HBy 1.0 . 3.64 211 183 A 2 THR HG2% A 2 THR H 1.0 . 4.00 212 184 A 37 ASN H A 37 ASN HBx 1.0 . 3.69 213 184 A 37 ASN HBy A 37 ASN H 1.0 . 3.69 214 185 A 30 PHE H A 30 PHE HBy 1.0 . 4.19 215 186 A 30 PHE H A 30 PHE HBx 1.0 . 3.84 216 187 A 30 PHE H A 29 VAL HB 1.0 . 4.00 217 188 A 33 TYR H A 35 ASN H 1.0 . 4.21 218 189 A 48 ALA H A 50 LYS H 1.0 . 4.24 219 190 A 48 ALA H A 49 THR H 1.0 . 3.49 220 191 A 48 ALA H A 48 ALA HB% 1.0 . 2.93 221 192 A 48 ALA H A 49 THR HG2% 1.0 . 4.93 222 193 A 55 THR HA A 42 GLU H 1.0 . 4.64 223 194 A 42 GLU H A 41 GLY HAx 1.0 . 3.52 224 195 A 13 LYS H A 12 LEU HA 1.0 . 3.46 225 196 A 13 LYS H A 12 LEU HG 1.0 . 4.03 226 197 A 26 ALA H A 24 ALA H 1.0 . 4.41 227 198 A 24 ALA H A 22 ASP HBx 1.0 . 3.61 228 198 A 24 ALA H A 22 ASP HBy 1.0 . 3.61 229 199 A 24 ALA H A 24 ALA HB% 1.0 . 2.97 230 200 A 2 THR H A 1 MET H1 1.0 . 4.29 231 201 A 20 ALA H A 1 MET H1 1.0 . 3.93 232 202 A 1 MET H1 A 1 MET HBx 1.0 . 3.65 233 202 A 1 MET HBy A 1 MET H1 1.0 . 3.65 234 203 A 15 GLU H A 14 GLY HAy 1.0 . 3.50 235 204 A 15 GLU H A 14 GLY HAx 1.0 . 3.50 236 205 A 15 GLU H A 16 THR HG2% 1.0 . 3.89 237 206 A 15 GLU H A 7 ILE HD1% 1.0 . 4.68 238 207 A 35 ASN H A 36 ASP H 1.0 . 3.87 239 208 A 37 ASN H A 36 ASP H 1.0 . 4.07 240 209 A 36 ASP H A 36 ASP HBx 1.0 . 3.31 241 209 A 36 ASP H A 36 ASP HBy 1.0 . 3.31 242 210 A 45 TYR H A 44 THR HA 1.0 . 3.03 243 211 A 45 TYR H A 44 THR HB 1.0 . 3.34 244 212 A 45 TYR H A 45 TYR HBy 1.0 . 3.78 245 213 A 45 TYR H A 45 TYR HBx 1.0 . 3.78 246 214 A 45 TYR H A 44 THR HG2% 1.0 . 3.79 247 215 A 49 THR H A 49 THR HB 1.0 . 3.86 248 216 A 48 ALA HB% A 49 THR H 1.0 . 3.81 249 217 A 49 THR H A 49 THR HG2% 1.0 . 3.83 250 218 A 17 THR HA A 4 LYS HA 1.0 . 3.74 251 219 A 3 PHE HD% A 52 PHE HA 1.0 . 4.95 252 220 A 15 GLU HA A 6 ILE HA 1.0 . 3.78 253 221 A 15 GLU HA A 15 GLU HGx 1.0 . 3.59 254 221 A 15 GLU HA A 15 GLU HGy 1.0 . 3.59 255 222 A 6 ILE HG2% A 15 GLU HA 1.0 . 4.33 256 223 A 15 GLU HBx A 15 GLU HGx 1.0 . 2.78 257 223 A 15 GLU HBy A 15 GLU HGx 1.0 . 2.78 258 223 A 15 GLU HGy A 15 GLU HBx 1.0 . 2.78 259 223 A 15 GLU HBy A 15 GLU HGy 1.0 . 2.78 260 224 A 6 ILE HA A 15 GLU HBx 1.0 . 4.36 261 224 A 6 ILE HA A 15 GLU HBy 1.0 . 4.36 262 225 A 6 ILE HG2% A 15 GLU HBx 1.0 . 4.44 263 225 A 6 ILE HG2% A 15 GLU HBy 1.0 . 4.44 264 226 A 6 ILE HD1% A 15 GLU HBx 1.0 . 4.94 265 226 A 15 GLU HBy A 6 ILE HD1% 1.0 . 4.94 266 227 A 6 ILE HG1y A 15 GLU HGx 1.0 . 4.36 267 227 A 6 ILE HG1x A 15 GLU HGx 1.0 . 4.36 268 227 A 15 GLU HGy A 6 ILE HG1x 1.0 . 4.36 269 227 A 15 GLU HGy A 6 ILE HG1y 1.0 . 4.36 270 228 A 6 ILE HG2% A 15 GLU HGx 1.0 . 4.48 271 228 A 6 ILE HG2% A 15 GLU HGy 1.0 . 4.48 272 229 A 6 ILE HD1% A 15 GLU HGx 1.0 . 5.04 273 229 A 15 GLU HGy A 6 ILE HD1% 1.0 . 5.04 274 230 A 6 ILE HA A 15 GLU HGx 1.0 . 4.37 275 230 A 6 ILE HA A 15 GLU HGy 1.0 . 4.37 276 231 A 18 THR HG2% A 17 THR HB 1.0 . 5.50 277 232 A 17 THR HA A 17 THR HG2% 1.0 . 3.40 278 233 A 16 THR HG2% A 16 THR HA 1.0 . 3.71 279 234 A 16 THR HG2% A 7 ILE HD1% 1.0 . 4.32 280 235 A 6 ILE HD1% A 4 LYS HDx 1.0 . 4.10 281 235 A 6 ILE HD1% A 4 LYS HDy 1.0 . 4.10 282 236 A 45 TYR HA A 52 PHE HA 1.0 . 3.75 283 237 A 33 TYR HA A 34 PHE HA 1.0 . 4.85 284 238 A 5 LEU HG A 30 PHE HBx 1.0 . 4.31 285 239 A 5 LEU HG A 52 PHE HE% 1.0 . 4.78 286 240 A 5 LEU HG A 52 PHE HD% 1.0 . 4.31 287 241 A 25 THR HA A 25 THR HG2% 1.0 . 2.91 288 242 A 2 THR HA A 2 THR HG2% 1.0 . 3.11 289 243 A 1 MET HA A 1 MET HGy 1.0 . 4.15 290 244 A 1 MET HA A 1 MET HGx 1.0 . 4.15 291 245 A 39 ILE HG2% A 54 ILE HG2% 1.0 . 3.66 292 246 A 7 ILE HA A 54 ILE HG2% 1.0 . 4.04 293 247 A 54 ILE HG2% A 54 ILE HA 1.0 . 3.73 294 248 A 31 LYS HBx A 31 LYS HDx 1.0 . 3.75 295 248 A 31 LYS HBy A 31 LYS HDx 1.0 . 3.75 296 248 A 31 LYS HDy A 31 LYS HBx 1.0 . 3.75 297 248 A 31 LYS HBy A 31 LYS HDy 1.0 . 3.75 298 249 A 23 ALA HB% A 24 ALA HA 1.0 . 4.51 299 250 A 22 ASP HA A 23 ALA HB% 1.0 . 4.90 300 251 A 26 ALA HB% A 23 ALA HA 1.0 . 3.58 301 252 A 28 LYS HA A 31 LYS HBx 1.0 . 3.61 302 252 A 28 LYS HA A 31 LYS HBy 1.0 . 3.61 303 253 A 28 LYS HA A 31 LYS HDx 1.0 . 4.56 304 253 A 28 LYS HA A 31 LYS HDy 1.0 . 4.56 305 254 A 25 THR HA A 28 LYS HBx 1.0 . 4.29 306 254 A 25 THR HA A 28 LYS HBy 1.0 . 4.29 307 255 A 25 THR HB A 21 VAL HGx% 1.0 . 4.39 308 255 A 25 THR HB A 21 VAL HGy% 1.0 . 4.39 309 256 A 11 THR HG2% A 11 THR HA 1.0 . 3.60 310 257 A 7 ILE HG2% A 7 ILE HA 1.0 . 3.34 311 258 A 18 THR HG2% A 18 THR HA 1.0 . 3.95 312 259 A 7 ILE HG2% A 13 LYS HA 1.0 . 4.09 313 260 A 30 PHE HE% A 18 THR HG2% 1.0 . 3.94 314 261 A 19 GLU HA A 2 THR HB 1.0 . 5.06 315 262 A 17 THR HB A 2 THR HB 1.0 . 4.85 316 263 A 55 THR HG2% A 8 ASN HBy 1.0 . 4.19 317 264 A 55 THR HG2% A 8 ASN HBx 1.0 . 4.19 318 265 A 29 VAL HA A 29 VAL HGx% 1.0 . 3.61 319 266 A 53 THR HG2% A 53 THR HA 1.0 . 3.44 320 267 A 51 THR HG2% A 51 THR HA 1.0 . 3.51 321 268 A 30 PHE HE% A 3 PHE HA 1.0 . 4.70 322 269 A 17 THR HG2% A 3 PHE HA 1.0 . 4.48 323 270 A 30 PHE HE% A 3 PHE HBy 1.0 . 4.36 324 271 A 30 PHE HE% A 3 PHE HBx 1.0 . 4.36 325 272 A 30 PHE HE% A 4 LYS HA 1.0 . 4.43 326 273 A 19 GLU HA A 2 THR HA 1.0 . 3.44 327 274 A 4 LYS HA A 17 THR HB 1.0 . 4.75 328 275 A 19 GLU HA A 19 GLU HGx 1.0 . 3.66 329 275 A 19 GLU HA A 19 GLU HGy 1.0 . 3.66 330 276 A 4 LYS HA A 4 LYS HGx 1.0 . 4.11 331 276 A 4 LYS HGy A 4 LYS HA 1.0 . 4.11 332 277 A 17 THR HG2% A 4 LYS HA 1.0 . 4.27 333 278 A 19 GLU HA A 18 THR HG2% 1.0 . 4.77 334 279 A 51 THR HG2% A 4 LYS HBx 1.0 . 4.54 335 279 A 51 THR HG2% A 4 LYS HBy 1.0 . 4.54 336 280 A 17 THR HG2% A 4 LYS HEx 1.0 . 4.07 337 280 A 17 THR HG2% A 4 LYS HEy 1.0 . 4.07 338 281 A 5 LEU HG A 5 LEU HA 1.0 . 3.79 339 282 A 6 ILE HA A 4 LYS HGx 1.0 . 4.68 340 282 A 4 LYS HGy A 6 ILE HA 1.0 . 4.68 341 283 A 6 ILE HB A 4 LYS HGx 1.0 . 4.58 342 283 A 6 ILE HB A 4 LYS HGy 1.0 . 4.58 343 284 A 39 ILE HA A 39 ILE HG1x 1.0 . 4.24 344 285 A 6 ILE HD1% A 4 LYS HGx 1.0 . 3.29 345 285 A 4 LYS HGy A 6 ILE HD1% 1.0 . 3.29 346 286 A 6 ILE HB A 6 ILE HD1% 1.0 . 3.39 347 287 A 6 ILE HD1% A 4 LYS HEx 1.0 . 4.69 348 287 A 6 ILE HD1% A 4 LYS HEy 1.0 . 4.69 349 288 A 6 ILE HA A 6 ILE HD1% 1.0 . 3.97 350 289 A 15 GLU HA A 6 ILE HD1% 1.0 . 5.50 351 290 A 6 ILE HG2% A 8 ASN HBx 1.0 . 5.38 352 291 A 6 ILE HG2% A 6 ILE HA 1.0 . 3.35 353 292 A 39 ILE HG2% A 40 ASP HA 1.0 . 4.38 354 293 A 6 ILE HG2% A 53 THR HA 1.0 . 4.33 355 294 A 43 TRP HD1 A 39 ILE HG2% 1.0 . 5.50 356 295 A 53 THR HG2% A 7 ILE HA 1.0 . 5.05 357 296 A 13 LYS HA A 7 ILE HB 1.0 . 4.58 358 297 A 7 ILE HG2% A 7 ILE HD1% 1.0 . 3.24 359 298 A 7 ILE HB A 7 ILE HD1% 1.0 . 3.63 360 299 A 7 ILE HA A 7 ILE HD1% 1.0 . 4.52 361 300 A 15 GLU HA A 7 ILE HD1% 1.0 . 4.44 362 301 A 8 ASN HA A 13 LYS HDy 1.0 . 4.38 363 302 A 8 ASN HA A 13 LYS HGx 1.0 . 4.73 364 302 A 8 ASN HA A 13 LYS HGy 1.0 . 4.73 365 303 A 55 THR HA A 8 ASN HBy 1.0 . 4.10 366 304 A 55 THR HA A 8 ASN HBx 1.0 . 4.10 367 305 A 10 LYS HA A 10 LYS HGx 1.0 . 3.72 368 305 A 10 LYS HGy A 10 LYS HA 1.0 . 3.72 369 306 A 8 ASN HA A 13 LYS HDx 1.0 . 4.38 370 307 A 10 LYS HA A 10 LYS HDx 1.0 . 4.05 371 307 A 10 LYS HA A 10 LYS HDy 1.0 . 4.05 372 308 A 28 LYS HBy A 28 LYS HEx 1.0 . 3.74 373 308 A 28 LYS HBx A 28 LYS HEx 1.0 . 3.74 374 308 A 28 LYS HEy A 28 LYS HBx 1.0 . 3.74 375 308 A 28 LYS HBy A 28 LYS HEy 1.0 . 3.74 376 309 A 2 THR HG2% A 19 GLU HBx 1.0 . 3.49 377 309 A 2 THR HG2% A 19 GLU HBy 1.0 . 3.49 378 310 A 19 GLU HA A 2 THR HG2% 1.0 . 3.45 379 311 A 12 LEU HA A 12 LEU HG 1.0 . 3.94 380 312 A 13 LYS HA A 13 LYS HGx 1.0 . 3.92 381 312 A 13 LYS HA A 13 LYS HGy 1.0 . 3.92 382 313 A 15 GLU HA A 14 GLY HAy 1.0 . 4.66 383 314 A 15 GLU HA A 14 GLY HAx 1.0 . 4.66 384 315 A 2 THR HA A 19 GLU HBx 1.0 . 4.76 385 315 A 2 THR HA A 19 GLU HBy 1.0 . 4.76 386 316 A 29 VAL HB A 30 PHE HA 1.0 . 5.41 387 317 A 18 THR HG2% A 19 GLU HBx 1.0 . 5.07 388 317 A 18 THR HG2% A 19 GLU HBy 1.0 . 5.07 389 318 A 2 THR HG2% A 19 GLU HGx 1.0 . 4.72 390 318 A 2 THR HG2% A 19 GLU HGy 1.0 . 4.72 391 319 A 2 THR HA A 19 GLU HGx 1.0 . 4.41 392 319 A 2 THR HA A 19 GLU HGy 1.0 . 4.41 393 320 A 20 ALA HA A 21 VAL HGx% 1.0 . 4.60 394 320 A 20 ALA HA A 21 VAL HGy% 1.0 . 4.60 395 321 A 26 ALA HB% A 20 ALA HA 1.0 . 5.00 396 322 A 20 ALA HB% A 1 MET HBx 1.0 . 4.71 397 322 A 20 ALA HB% A 1 MET HBy 1.0 . 4.71 398 323 A 20 ALA HB% A 26 ALA HA 1.0 . 3.79 399 324 A 20 ALA HB% A 25 THR HB 1.0 . 3.62 400 325 A 30 PHE HE% A 20 ALA HB% 1.0 . 4.61 401 326 A 20 ALA HB% A 21 VAL HGx% 1.0 . 3.88 402 326 A 20 ALA HB% A 21 VAL HGy% 1.0 . 3.88 403 327 A 20 ALA HB% A 26 ALA HB% 1.0 . 3.36 404 328 A 21 VAL HA A 21 VAL HGx% 1.0 . 3.39 405 328 A 21 VAL HGy% A 21 VAL HA 1.0 . 3.39 406 329 A 22 ASP HA A 21 VAL HGx% 1.0 . 4.62 407 329 A 22 ASP HA A 21 VAL HGy% 1.0 . 4.62 408 330 A 55 THR HA A 53 THR HG2% 1.0 . 5.11 409 331 A 53 THR HG2% A 8 ASN HBy 1.0 . 4.34 410 332 A 21 VAL HGy% A 22 ASP HBx 1.0 . 4.57 411 332 A 21 VAL HGx% A 22 ASP HBx 1.0 . 4.57 412 332 A 22 ASP HBy A 21 VAL HGx% 1.0 . 4.57 413 332 A 22 ASP HBy A 21 VAL HGy% 1.0 . 4.57 414 333 A 17 THR HG2% A 2 THR HB 1.0 . 3.22 415 334 A 55 THR HA A 55 THR HG2% 1.0 . 3.35 416 335 A 26 ALA HA A 29 VAL HB 1.0 . 4.05 417 336 A 26 ALA HA A 29 VAL HGx% 1.0 . 4.58 418 337 A 30 PHE HE% A 26 ALA HB% 1.0 . 3.69 419 338 A 26 ALA HB% A 3 PHE HE% 1.0 . 3.69 420 339 A 3 PHE HD% A 26 ALA HB% 1.0 . 4.76 421 340 A 26 ALA HB% A 27 GLU HA 1.0 . 4.55 422 341 A 26 ALA HB% A 29 VAL HB 1.0 . 5.06 423 342 A 27 GLU HA A 27 GLU HGx 1.0 . 3.78 424 342 A 27 GLU HA A 27 GLU HGy 1.0 . 3.78 425 343 A 27 GLU HA A 45 TYR HD% 1.0 . 5.50 426 344 A 3 PHE HE% A 27 GLU HBy 1.0 . 4.57 427 345 A 3 PHE HE% A 27 GLU HBx 1.0 . 4.57 428 346 A 3 PHE HE% A 27 GLU HGx 1.0 . 4.86 429 346 A 3 PHE HE% A 27 GLU HGy 1.0 . 4.86 430 347 A 28 LYS HBx A 28 LYS HDx 1.0 . 3.60 431 347 A 28 LYS HBy A 28 LYS HDx 1.0 . 3.60 432 347 A 28 LYS HDy A 28 LYS HBx 1.0 . 3.60 433 347 A 28 LYS HDy A 28 LYS HBy 1.0 . 3.60 434 348 A 25 THR HA A 28 LYS HGy 1.0 . 4.30 435 349 A 25 THR HA A 28 LYS HGx 1.0 . 4.30 436 350 A 25 THR HA A 28 LYS HDx 1.0 . 3.91 437 350 A 25 THR HA A 28 LYS HDy 1.0 . 3.91 438 351 A 25 THR HA A 28 LYS HEx 1.0 . 4.15 439 351 A 25 THR HA A 28 LYS HEy 1.0 . 4.15 440 352 A 26 ALA HA A 29 VAL HGy% 1.0 . 4.58 441 353 A 29 VAL HA A 29 VAL HGy% 1.0 . 3.61 442 354 A 5 LEU HG A 30 PHE HBy 1.0 . 4.94 443 355 A 31 LYS HA A 31 LYS HDx 1.0 . 4.22 444 355 A 31 LYS HDy A 31 LYS HA 1.0 . 4.22 445 356 A 32 GLN HA A 32 GLN HGx 1.0 . 4.07 446 356 A 32 GLN HA A 32 GLN HGy 1.0 . 4.07 447 357 A 29 VAL HA A 32 GLN HBy 1.0 . 5.02 448 358 A 29 VAL HA A 32 GLN HBx 1.0 . 5.02 449 359 A 52 PHE HD% A 34 PHE HBx 1.0 . 4.67 450 360 A 31 LYS HA A 35 ASN HBx 1.0 . 5.09 451 360 A 31 LYS HA A 35 ASN HBy 1.0 . 5.09 452 361 A 33 TYR HA A 35 ASN HBx 1.0 . 5.50 453 361 A 33 TYR HA A 35 ASN HBy 1.0 . 5.50 454 362 A 43 TRP HD1 A 40 ASP HA 1.0 . 4.98 455 363 A 52 PHE HD% A 34 PHE HBy 1.0 . 5.50 456 364 A 54 ILE HD1% A 34 PHE HBy 1.0 . 4.91 457 365 A 39 ILE HA A 39 ILE HG1y 1.0 . 4.24 458 366 A 54 ILE HD1% A 39 ILE HD1% 1.0 . 4.24 459 367 A 39 ILE HB A 39 ILE HD1% 1.0 . 3.68 460 368 A 39 ILE HD1% A 56 GLU HGx 1.0 . 5.33 461 368 A 39 ILE HD1% A 56 GLU HGy 1.0 . 5.33 462 369 A 39 ILE HD1% A 37 ASN HBx 1.0 . 4.72 463 369 A 37 ASN HBy A 39 ILE HD1% 1.0 . 4.72 464 370 A 39 ILE HA A 39 ILE HD1% 1.0 . 4.12 465 371 A 34 PHE HD% A 39 ILE HD1% 1.0 . 4.99 466 372 A 6 ILE HG2% A 8 ASN HBy 1.0 . 5.38 467 373 A 41 GLY HAy A 56 GLU HGx 1.0 . 4.74 468 373 A 56 GLU HGy A 41 GLY HAy 1.0 . 4.74 469 374 A 39 ILE HG2% A 41 GLY HAy 1.0 . 5.43 470 375 A 54 ILE HG2% A 41 GLY HAy 1.0 . 4.55 471 376 A 41 GLY HAx A 56 GLU HGx 1.0 . 4.64 472 376 A 41 GLY HAx A 56 GLU HGy 1.0 . 4.64 473 377 A 54 ILE HG2% A 41 GLY HAx 1.0 . 4.91 474 378 A 54 ILE HD1% A 41 GLY HAx 1.0 . 5.50 475 379 A 42 GLU HBy A 55 THR HB 1.0 . 4.13 476 380 A 55 THR HG2% A 42 GLU HBy 1.0 . 4.83 477 381 A 55 THR HG2% A 42 GLU HBx 1.0 . 4.90 478 382 A 55 THR HB A 42 GLU HBx 1.0 . 4.74 479 383 A 55 THR HA A 42 GLU HBx 1.0 . 4.45 480 384 A 4 LYS HGy A 15 GLU HGx 1.0 . 5.35 481 384 A 15 GLU HGy A 4 LYS HGx 1.0 . 5.35 482 384 A 4 LYS HGy A 15 GLU HGy 1.0 . 5.35 483 384 A 4 LYS HGx A 15 GLU HGx 1.0 . 5.35 484 385 A 43 TRP HA A 54 ILE HA 1.0 . 3.82 485 386 A 54 ILE HG2% A 43 TRP HA 1.0 . 4.85 486 387 A 44 THR HA A 44 THR HG2% 1.0 . 3.55 487 388 A 3 PHE HD% A 45 TYR HA 1.0 . 5.35 488 389 A 10 LYS HA A 10 LYS HEx 1.0 . 4.29 489 389 A 10 LYS HA A 10 LYS HEy 1.0 . 4.29 490 390 A 49 THR HG2% A 48 ALA HA 1.0 . 4.81 491 391 A 48 ALA HB% A 49 THR HB 1.0 . 4.87 492 392 A 49 THR HG2% A 49 THR HA 1.0 . 3.55 493 393 A 8 ASN HA A 13 LYS HEx 1.0 . 4.92 494 393 A 8 ASN HA A 13 LYS HEy 1.0 . 4.92 495 394 A 10 LYS HEx A 10 LYS HGx 1.0 . 3.59 496 394 A 10 LYS HEy A 10 LYS HGx 1.0 . 3.59 497 394 A 10 LYS HGy A 10 LYS HEx 1.0 . 3.59 498 394 A 10 LYS HGy A 10 LYS HEy 1.0 . 3.59 499 395 A 13 LYS HEy A 13 LYS HGx 1.0 . 3.94 500 395 A 13 LYS HEx A 13 LYS HGx 1.0 . 3.94 501 395 A 13 LYS HGy A 13 LYS HEx 1.0 . 3.94 502 395 A 13 LYS HGy A 13 LYS HEy 1.0 . 3.94 503 396 A 51 THR HA A 50 LYS HBx 1.0 . 4.29 504 396 A 50 LYS HBy A 51 THR HA 1.0 . 4.29 505 397 A 51 THR HB A 46 ASP HBy 1.0 . 4.49 506 398 A 51 THR HB A 46 ASP HBx 1.0 . 4.49 507 399 A 48 ALA HB% A 49 THR HG2% 1.0 . 3.16 508 400 A 53 THR HG2% A 8 ASN HBx 1.0 . 4.34 509 401 A 5 LEU HG A 52 PHE HBx 1.0 . 4.41 510 402 A 3 PHE HD% A 52 PHE HBy 1.0 . 4.78 511 403 A 5 LEU HG A 52 PHE HBy 1.0 . 4.41 512 404 A 6 ILE HB A 53 THR HA 1.0 . 3.80 513 405 A 54 ILE HA A 53 THR HA 1.0 . 4.96 514 406 A 7 ILE HA A 54 ILE HB 1.0 . 4.72 515 407 A 54 ILE HD1% A 54 ILE HB 1.0 . 4.11 516 408 A 39 ILE HG2% A 54 ILE HD1% 1.0 . 3.99 517 409 A 54 ILE HD1% A 34 PHE HBx 1.0 . 4.60 518 410 A 54 ILE HD1% A 43 TRP HBx 1.0 . 5.08 519 410 A 43 TRP HBy A 54 ILE HD1% 1.0 . 5.08 520 411 A 54 ILE HD1% A 54 ILE HA 1.0 . 4.22 521 412 A 43 TRP HD1 A 54 ILE HD1% 1.0 . 5.19 522 413 A 41 GLY HAy A 56 GLU HA 1.0 . 4.09 523 414 A 56 GLU HA A 56 GLU HGx 1.0 . 3.70 524 414 A 56 GLU HGy A 56 GLU HA 1.0 . 3.70 525 415 A 18 THR HA A 2 THR HB 1.0 . 4.20 526 416 A 17 THR HG2% A 18 THR HA 1.0 . 3.55 527 417 A 33 TYR HA A 33 TYR HD% 1.0 . 3.80 528 418 A 43 TRP HD1 A 43 TRP HA 1.0 . 4.55 529 419 A 43 TRP HD1 A 54 ILE HG2% 1.0 . 4.33 530 420 A 3 PHE HD% A 52 PHE HBx 1.0 . 4.78 531 421 A 1 MET H1 A 1 MET HGy 1.0 . 4.34 532 421 A 1 MET H1 A 1 MET HGx 1.0 . 4.34 533 422 A 1 MET HA A 1 MET HGy 1.0 . 3.63 534 422 A 1 MET HA A 1 MET HGx 1.0 . 3.63 535 423 A 26 ALA HB% A 3 PHE HBx 1.0 . 4.17 536 423 A 26 ALA HB% A 3 PHE HBy 1.0 . 4.17 537 424 A 3 PHE HD% A 52 PHE HBx 1.0 . 4.02 538 424 A 3 PHE HD% A 52 PHE HBy 1.0 . 4.02 539 425 A 5 LEU HA A 52 PHE HBx 1.0 . 3.94 540 425 A 5 LEU HA A 52 PHE HBy 1.0 . 3.94 541 426 A 7 ILE H A 12 LEU HDx% 1.0 . 4.53 542 426 A 7 ILE H A 12 LEU HDy% 1.0 . 4.53 543 427 A 7 ILE HA A 7 ILE HG1y 1.0 . 3.70 544 427 A 7 ILE HA A 7 ILE HG1x 1.0 . 3.70 545 428 A 7 ILE HB A 12 LEU HDx% 1.0 . 3.70 546 428 A 7 ILE HB A 12 LEU HDy% 1.0 . 3.70 547 429 A 7 ILE HG2% A 7 ILE HG1y 1.0 . 3.22 548 429 A 7 ILE HG2% A 7 ILE HG1x 1.0 . 3.22 549 430 A 7 ILE HG2% A 9 GLY HAy 1.0 . 4.72 550 430 A 7 ILE HG2% A 9 GLY HAx 1.0 . 4.72 551 431 A 7 ILE HG1x A 12 LEU HDx% 1.0 . 3.12 552 431 A 12 LEU HDy% A 7 ILE HG1y 1.0 . 3.12 553 431 A 12 LEU HDy% A 7 ILE HG1x 1.0 . 3.12 554 431 A 7 ILE HG1y A 12 LEU HDx% 1.0 . 3.12 555 432 A 14 GLY H A 7 ILE HG1y 1.0 . 5.10 556 432 A 14 GLY H A 7 ILE HG1x 1.0 . 5.10 557 433 A 7 ILE HD1% A 14 GLY HAx 1.0 . 4.76 558 433 A 7 ILE HD1% A 14 GLY HAy 1.0 . 4.76 559 434 A 8 ASN HBy A 8 ASN HD2x 1.0 . 3.14 560 434 A 8 ASN HBx A 8 ASN HD2x 1.0 . 3.14 561 434 A 8 ASN HD2y A 8 ASN HBx 1.0 . 3.14 562 434 A 8 ASN HBy A 8 ASN HD2y 1.0 . 3.14 563 435 A 53 THR HG2% A 8 ASN HBx 1.0 . 3.69 564 435 A 53 THR HG2% A 8 ASN HBy 1.0 . 3.69 565 436 A 55 THR HA A 8 ASN HBx 1.0 . 3.57 566 436 A 55 THR HA A 8 ASN HBy 1.0 . 3.57 567 437 A 55 THR HG2% A 8 ASN HBx 1.0 . 3.58 568 437 A 55 THR HG2% A 8 ASN HBy 1.0 . 3.58 569 438 A 56 GLU H A 8 ASN HBx 1.0 . 4.11 570 438 A 56 GLU H A 8 ASN HBy 1.0 . 4.11 571 439 A 53 THR HG2% A 8 ASN HD2x 1.0 . 3.61 572 439 A 53 THR HG2% A 8 ASN HD2y 1.0 . 3.61 573 440 A 55 THR HG2% A 8 ASN HD2x 1.0 . 3.82 574 440 A 55 THR HG2% A 8 ASN HD2y 1.0 . 3.82 575 441 A 9 GLY H A 13 LYS HDx 1.0 . 4.26 576 441 A 9 GLY H A 13 LYS HDy 1.0 . 4.26 577 442 A 9 GLY HAy A 10 LYS HBx 1.0 . 4.98 578 442 A 9 GLY HAx A 10 LYS HBx 1.0 . 4.98 579 442 A 10 LYS HBy A 9 GLY HAy 1.0 . 4.98 580 442 A 10 LYS HBy A 9 GLY HAx 1.0 . 4.98 581 443 A 11 THR H A 9 GLY HAy 1.0 . 4.40 582 443 A 11 THR H A 9 GLY HAx 1.0 . 4.40 583 444 A 9 GLY HAy A 56 GLU HBy 1.0 . 3.61 584 444 A 9 GLY HAx A 56 GLU HBy 1.0 . 3.61 585 444 A 56 GLU HBx A 9 GLY HAy 1.0 . 3.61 586 444 A 9 GLY HAx A 56 GLU HBx 1.0 . 3.61 587 445 A 10 LYS H A 56 GLU HBy 1.0 . 4.71 588 445 A 10 LYS H A 56 GLU HBx 1.0 . 4.71 589 446 A 11 THR HB A 12 LEU HDx% 1.0 . 5.44 590 446 A 11 THR HB A 12 LEU HDy% 1.0 . 5.44 591 447 A 12 LEU H A 12 LEU HDx% 1.0 . 4.33 592 447 A 12 LEU H A 12 LEU HDy% 1.0 . 4.33 593 448 A 12 LEU HA A 12 LEU HDx% 1.0 . 4.25 594 448 A 12 LEU HA A 12 LEU HDy% 1.0 . 4.25 595 449 A 13 LYS H A 12 LEU HDx% 1.0 . 4.52 596 449 A 13 LYS H A 12 LEU HDy% 1.0 . 4.52 597 450 A 14 GLY H A 12 LEU HDx% 1.0 . 4.37 598 450 A 14 GLY H A 12 LEU HDy% 1.0 . 4.37 599 451 A 13 LYS H A 13 LYS HDx 1.0 . 4.68 600 451 A 13 LYS H A 13 LYS HDy 1.0 . 4.68 601 452 A 14 GLY H A 13 LYS HDx 1.0 . 4.23 602 452 A 14 GLY H A 13 LYS HDy 1.0 . 4.23 603 453 A 15 GLU H A 14 GLY HAx 1.0 . 3.06 604 453 A 15 GLU H A 14 GLY HAy 1.0 . 3.06 605 454 A 15 GLU HA A 14 GLY HAx 1.0 . 4.07 606 454 A 15 GLU HA A 14 GLY HAy 1.0 . 4.07 607 455 A 16 THR HG2% A 14 GLY HAx 1.0 . 4.27 608 455 A 16 THR HG2% A 14 GLY HAy 1.0 . 4.27 609 456 A 20 ALA HB% A 29 VAL HGx% 1.0 . 4.30 610 456 A 20 ALA HB% A 29 VAL HGy% 1.0 . 4.30 611 457 A 23 ALA HA A 27 GLU HBx 1.0 . 4.79 612 457 A 23 ALA HA A 27 GLU HBy 1.0 . 4.79 613 458 A 23 ALA HB% A 27 GLU HBx 1.0 . 4.33 614 458 A 23 ALA HB% A 27 GLU HBy 1.0 . 4.33 615 459 A 24 ALA HA A 27 GLU HBx 1.0 . 4.09 616 459 A 24 ALA HA A 27 GLU HBy 1.0 . 4.09 617 460 A 25 THR HA A 28 LYS HGy 1.0 . 3.77 618 460 A 25 THR HA A 28 LYS HGx 1.0 . 3.77 619 461 A 26 ALA HA A 29 VAL HGx% 1.0 . 3.79 620 461 A 26 ALA HA A 29 VAL HGy% 1.0 . 3.79 621 462 A 26 ALA HB% A 27 GLU HBx 1.0 . 4.58 622 462 A 26 ALA HB% A 27 GLU HBy 1.0 . 4.58 623 463 A 27 GLU H A 27 GLU HBx 1.0 . 3.32 624 463 A 27 GLU H A 27 GLU HBy 1.0 . 3.32 625 464 A 45 TYR HD% A 27 GLU HBx 1.0 . 5.26 626 464 A 45 TYR HD% A 27 GLU HBy 1.0 . 5.26 627 465 A 28 LYS H A 28 LYS HGy 1.0 . 4.03 628 465 A 28 LYS H A 28 LYS HGx 1.0 . 4.03 629 466 A 28 LYS HEx A 28 LYS HGy 1.0 . 3.42 630 466 A 28 LYS HEy A 28 LYS HGy 1.0 . 3.42 631 466 A 28 LYS HGx A 28 LYS HEx 1.0 . 3.42 632 466 A 28 LYS HEy A 28 LYS HGx 1.0 . 3.42 633 467 A 29 VAL H A 28 LYS HGy 1.0 . 4.40 634 467 A 29 VAL H A 28 LYS HGx 1.0 . 4.40 635 468 A 29 VAL H A 29 VAL HGx% 1.0 . 3.45 636 468 A 29 VAL H A 29 VAL HGy% 1.0 . 3.45 637 469 A 29 VAL HA A 29 VAL HGx% 1.0 . 3.06 638 469 A 29 VAL HA A 29 VAL HGy% 1.0 . 3.06 639 470 A 29 VAL HA A 32 GLN HBx 1.0 . 4.36 640 470 A 29 VAL HA A 32 GLN HBy 1.0 . 4.36 641 471 A 30 PHE H A 29 VAL HGx% 1.0 . 3.99 642 471 A 30 PHE H A 29 VAL HGy% 1.0 . 3.99 643 472 A 33 TYR H A 29 VAL HGx% 1.0 . 4.49 644 472 A 33 TYR H A 29 VAL HGy% 1.0 . 4.49 645 473 A 33 TYR HD% A 29 VAL HGx% 1.0 . 3.82 646 473 A 33 TYR HD% A 29 VAL HGy% 1.0 . 3.82 647 474 A 33 TYR HE% A 29 VAL HGx% 1.0 . 3.79 648 474 A 29 VAL HGy% A 33 TYR HE% 1.0 . 3.79 649 475 A 31 LYS H A 31 LYS HGy 1.0 . 4.12 650 475 A 31 LYS H A 31 LYS HGx 1.0 . 4.12 651 476 A 32 GLN H A 31 LYS HGy 1.0 . 4.49 652 476 A 32 GLN H A 31 LYS HGx 1.0 . 4.49 653 477 A 32 GLN H A 32 GLN HBx 1.0 . 3.19 654 477 A 32 GLN H A 32 GLN HBy 1.0 . 3.19 655 478 A 32 GLN H A 32 GLN HE2x 1.0 . 4.08 656 478 A 32 GLN H A 32 GLN HE2y 1.0 . 4.08 657 479 A 32 GLN HBy A 32 GLN HE2x 1.0 . 3.88 658 479 A 32 GLN HBx A 32 GLN HE2x 1.0 . 3.88 659 479 A 32 GLN HE2y A 32 GLN HBx 1.0 . 3.88 660 479 A 32 GLN HBy A 32 GLN HE2y 1.0 . 3.88 661 480 A 33 TYR H A 32 GLN HBx 1.0 . 3.81 662 480 A 33 TYR H A 32 GLN HBy 1.0 . 3.81 663 481 A 39 ILE H A 39 ILE HG1x 1.0 . 3.89 664 481 A 39 ILE H A 39 ILE HG1y 1.0 . 3.89 665 482 A 39 ILE HA A 39 ILE HG1x 1.0 . 3.64 666 482 A 39 ILE HA A 39 ILE HG1y 1.0 . 3.64 667 483 A 39 ILE HG2% A 39 ILE HG1x 1.0 . 3.23 668 483 A 39 ILE HG2% A 39 ILE HG1y 1.0 . 3.23 669 484 A 39 ILE HG2% A 40 ASP HBx 1.0 . 5.34 670 484 A 39 ILE HG2% A 40 ASP HBy 1.0 . 5.34 671 485 A 39 ILE HG2% A 54 ILE HG1y 1.0 . 4.63 672 485 A 39 ILE HG2% A 54 ILE HG1x 1.0 . 4.63 673 486 A 39 ILE HG1y A 56 GLU HGx 1.0 . 4.88 674 486 A 39 ILE HG1x A 56 GLU HGx 1.0 . 4.88 675 486 A 56 GLU HGy A 39 ILE HG1x 1.0 . 4.88 676 486 A 56 GLU HGy A 39 ILE HG1y 1.0 . 4.88 677 487 A 41 GLY H A 40 ASP HBx 1.0 . 3.82 678 487 A 41 GLY H A 40 ASP HBy 1.0 . 3.82 679 488 A 44 THR HG2% A 42 GLU HGy 1.0 . 4.51 680 488 A 44 THR HG2% A 42 GLU HGx 1.0 . 4.51 681 489 A 43 TRP HA A 54 ILE HG1y 1.0 . 4.84 682 489 A 43 TRP HA A 54 ILE HG1x 1.0 . 4.84 683 490 A 45 TYR H A 45 TYR HBy 1.0 . 3.11 684 490 A 45 TYR H A 45 TYR HBx 1.0 . 3.11 685 491 A 46 ASP H A 45 TYR HBy 1.0 . 4.38 686 491 A 46 ASP H A 45 TYR HBx 1.0 . 4.38 687 492 A 52 PHE HA A 45 TYR HBy 1.0 . 4.70 688 492 A 52 PHE HA A 45 TYR HBx 1.0 . 4.70 689 493 A 46 ASP H A 46 ASP HBx 1.0 . 3.32 690 493 A 46 ASP H A 46 ASP HBy 1.0 . 3.32 691 494 A 47 ASP H A 46 ASP HBx 1.0 . 4.06 692 494 A 47 ASP H A 46 ASP HBy 1.0 . 4.06 693 495 A 51 THR H A 46 ASP HBx 1.0 . 3.84 694 495 A 51 THR H A 46 ASP HBy 1.0 . 3.84 695 496 A 51 THR HB A 46 ASP HBx 1.0 . 3.76 696 496 A 51 THR HB A 46 ASP HBy 1.0 . 3.76 697 497 A 47 ASP H A 47 ASP HBx 1.0 . 3.14 698 497 A 47 ASP H A 47 ASP HBy 1.0 . 3.14 699 498 A 47 ASP HA A 50 LYS HDy 1.0 . 4.82 700 498 A 47 ASP HA A 50 LYS HDx 1.0 . 4.82 701 499 A 48 ALA H A 47 ASP HBx 1.0 . 3.64 702 499 A 48 ALA H A 47 ASP HBy 1.0 . 3.64 703 500 A 50 LYS H A 50 LYS HDy 1.0 . 4.70 704 500 A 50 LYS H A 50 LYS HDx 1.0 . 4.70 705 501 A 50 LYS HA A 50 LYS HDy 1.0 . 4.00 706 501 A 50 LYS HA A 50 LYS HDx 1.0 . 4.00 707 502 A 53 THR H A 52 PHE HBx 1.0 . 4.30 708 502 A 53 THR H A 52 PHE HBy 1.0 . 4.30 709 503 A 56 GLU H A 56 GLU HBy 1.0 . 3.51 710 503 A 56 GLU H A 56 GLU HBx 1.0 . 3.51 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 MET C A 2 THR N A 2 THR CA A 2 THR C 1.0 -112.0 -65.1 PHI 2 2 A 2 THR N A 2 THR CA A 2 THR C A 3 PHE N 1.0 100.2 163.6 PSI 3 3 A 2 THR C A 3 PHE N A 3 PHE CA A 3 PHE C 1.0 -145.0 -104.1 PHI 4 4 A 3 PHE N A 3 PHE CA A 3 PHE C A 4 LYS N 1.0 128.5 168.5 PSI 5 5 A 3 PHE C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -151.8 -96.1 PHI 6 6 A 4 LYS N A 4 LYS CA A 4 LYS C A 5 LEU N 1.0 108.4 149.6 PSI 7 7 A 4 LYS C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -151.8 -88.0 PHI 8 8 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 ILE N 1.0 106.1 146.1 PSI 9 9 A 5 LEU C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -127.0 -87.0 PHI 10 10 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 ILE N 1.0 99.8 139.8 PSI 11 11 A 6 ILE C A 7 ILE N A 7 ILE CA A 7 ILE C 1.0 -133.9 -72.6 PHI 12 12 A 7 ILE N A 7 ILE CA A 7 ILE C A 8 ASN N 1.0 90.6 140.1 PSI 13 13 A 7 ILE C A 8 ASN N A 8 ASN CA A 8 ASN C 1.0 -139.6 -59.8 PHI 14 14 A 8 ASN N A 8 ASN CA A 8 ASN C A 9 GLY N 1.0 74.2 151.5 PSI 15 15 A 9 GLY C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -97.1 -42.8 PHI 16 16 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 THR N 1.0 -60.1 14.0 PSI 17 17 A 10 LYS C A 11 THR N A 11 THR CA A 11 THR C 1.0 -138.7 -66.1 PHI 18 18 A 11 THR N A 11 THR CA A 11 THR C A 12 LEU N 1.0 -49.7 30.4 PSI 19 19 A 11 THR C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -154.5 -26.3 PHI 20 20 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 LYS N 1.0 93.2 185.9 PSI 21 21 A 12 LEU C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -165.0 -67.6 PHI 22 22 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 GLY N 1.0 101.8 176.7 PSI 23 23 A 14 GLY C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -181.1 -89.4 PHI 24 24 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 THR N 1.0 123.9 175.3 PSI 25 25 A 16 THR C A 17 THR N A 17 THR CA A 17 THR C 1.0 -163.7 -96.6 PHI 26 26 A 17 THR N A 17 THR CA A 17 THR C A 18 THR N 1.0 133.8 173.8 PSI 27 27 A 17 THR C A 18 THR N A 18 THR CA A 18 THR C 1.0 -178.0 -86.2 PHI 28 28 A 18 THR N A 18 THR CA A 18 THR C A 19 GLU N 1.0 103.4 162.4 PSI 29 29 A 18 THR C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -146.3 -70.1 PHI 30 30 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 ALA N 1.0 96.9 155.9 PSI 31 31 A 20 ALA C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -124.3 -43.4 PHI 32 32 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 ASP N 1.0 -52.2 14.5 PSI 33 33 A 22 ASP C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -83.8 -40.7 PHI 34 34 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 ALA N 1.0 -58.9 -13.0 PSI 35 35 A 23 ALA C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -86.0 -46.0 PHI 36 36 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 THR N 1.0 -56.4 -16.4 PSI 37 37 A 24 ALA C A 25 THR N A 25 THR CA A 25 THR C 1.0 -87.2 -47.2 PHI 38 38 A 25 THR N A 25 THR CA A 25 THR C A 26 ALA N 1.0 -63.1 -23.1 PSI 39 39 A 25 THR C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -82.8 -42.8 PHI 40 40 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 GLU N 1.0 -62.2 -22.2 PSI 41 41 A 26 ALA C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -82.9 -42.9 PHI 42 42 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 LYS N 1.0 -64.5 -24.5 PSI 43 43 A 27 GLU C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -80.0 -40.0 PHI 44 44 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 VAL N 1.0 -61.3 -21.3 PSI 45 45 A 28 LYS C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -88.6 -48.6 PHI 46 46 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 PHE N 1.0 -59.9 -19.9 PSI 47 47 A 29 VAL C A 30 PHE N A 30 PHE CA A 30 PHE C 1.0 -87.2 -47.2 PHI 48 48 A 30 PHE N A 30 PHE CA A 30 PHE C A 31 LYS N 1.0 -56.1 -16.1 PSI 49 49 A 30 PHE C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -87.7 -47.7 PHI 50 50 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 GLN N 1.0 -57.2 -17.2 PSI 51 51 A 31 LYS C A 32 GLN N A 32 GLN CA A 32 GLN C 1.0 -87.7 -47.7 PHI 52 52 A 32 GLN N A 32 GLN CA A 32 GLN C A 33 TYR N 1.0 -61.8 -21.8 PSI 53 53 A 32 GLN C A 33 TYR N A 33 TYR CA A 33 TYR C 1.0 -85.5 -45.5 PHI 54 54 A 33 TYR N A 33 TYR CA A 33 TYR C A 34 PHE N 1.0 -59.1 -19.1 PSI 55 55 A 33 TYR C A 34 PHE N A 34 PHE CA A 34 PHE C 1.0 -84.0 -44.0 PHI 56 56 A 34 PHE N A 34 PHE CA A 34 PHE C A 35 ASN N 1.0 -62.2 -22.2 PSI 57 57 A 34 PHE C A 35 ASN N A 35 ASN CA A 35 ASN C 1.0 -83.9 -43.9 PHI 58 58 A 35 ASN N A 35 ASN CA A 35 ASN C A 36 ASP N 1.0 -60.4 -20.4 PSI 59 59 A 35 ASN C A 36 ASP N A 36 ASP CA A 36 ASP C 1.0 -84.4 -44.4 PHI 60 60 A 36 ASP N A 36 ASP CA A 36 ASP C A 37 ASN N 1.0 -45.4 0.1 PSI 61 61 A 36 ASP C A 37 ASN N A 37 ASN CA A 37 ASN C 1.0 -113.6 -72.1 PHI 62 62 A 37 ASN N A 37 ASN CA A 37 ASN C A 38 GLY N 1.0 -18.1 21.9 PSI 63 63 A 37 ASN C A 38 GLY N A 38 GLY CA A 38 GLY C 1.0 59.2 99.2 PHI 64 64 A 38 GLY N A 38 GLY CA A 38 GLY C A 39 ILE N 1.0 1.5 41.5 PSI 65 65 A 38 GLY C A 39 ILE N A 39 ILE CA A 39 ILE C 1.0 -118.3 -64.9 PHI 66 66 A 39 ILE N A 39 ILE CA A 39 ILE C A 40 ASP N 1.0 106.7 163.5 PSI 67 67 A 39 ILE C A 40 ASP N A 40 ASP CA A 40 ASP C 1.0 -157.6 -75.3 PHI 68 68 A 40 ASP N A 40 ASP CA A 40 ASP C A 41 GLY N 1.0 125.0 194.7 PSI 69 69 A 41 GLY C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -165.5 -61.5 PHI 70 70 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 TRP N 1.0 90.9 167.3 PSI 71 71 A 42 GLU C A 43 TRP N A 43 TRP CA A 43 TRP C 1.0 -119.5 -58.0 PHI 72 72 A 43 TRP N A 43 TRP CA A 43 TRP C A 44 THR N 1.0 105.9 162.1 PSI 73 73 A 43 TRP C A 44 THR N A 44 THR CA A 44 THR C 1.0 -161.2 -95.0 PHI 74 74 A 44 THR N A 44 THR CA A 44 THR C A 45 TYR N 1.0 129.0 176.2 PSI 75 75 A 44 THR C A 45 TYR N A 45 TYR CA A 45 TYR C 1.0 -162.6 -103.7 PHI 76 76 A 45 TYR N A 45 TYR CA A 45 TYR C A 46 ASP N 1.0 112.0 162.7 PSI 77 77 A 45 TYR C A 46 ASP N A 46 ASP CA A 46 ASP C 1.0 -156.3 -72.2 PHI 78 78 A 46 ASP N A 46 ASP CA A 46 ASP C A 47 ASP N 1.0 55.7 183.9 PSI 79 79 A 46 ASP C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -90.1 -46.0 PHI 80 80 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 ALA N 1.0 -55.4 -2.4 PSI 81 81 A 50 LYS C A 51 THR N A 51 THR CA A 51 THR C 1.0 -138.2 -53.4 PHI 82 82 A 51 THR N A 51 THR CA A 51 THR C A 52 PHE N 1.0 111.4 151.4 PSI 83 83 A 51 THR C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -166.3 -72.3 PHI 84 84 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 THR N 1.0 113.4 153.4 PSI 85 85 A 52 PHE C A 53 THR N A 53 THR CA A 53 THR C 1.0 -157.1 -88.9 PHI 86 86 A 53 THR N A 53 THR CA A 53 THR C A 54 ILE N 1.0 109.0 155.1 PSI 87 87 A 53 THR C A 54 ILE N A 54 ILE CA A 54 ILE C 1.0 -168.5 -88.2 PHI 88 88 A 54 ILE N A 54 ILE CA A 54 ILE C A 55 THR N 1.0 92.6 160.9 PSI 89 89 A 54 ILE C A 55 THR N A 55 THR CA A 55 THR C 1.0 -142.8 -49.4 PHI 90 90 A 55 THR N A 55 THR CA A 55 THR C A 56 GLU N 1.0 99.8 139.8 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 15.995552994 aliased 2 ppm 13C 79.993339589 aliased 3 ppm 1H 14.031187008 aliased stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 8.685695099 aliased 2 ppm 13C 66.244482528 aliased 3 ppm 1H 14.031187008 aliased stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 8.367342789 aliased 2 ppm 15N 31.998205698 aliased 3 ppm 1H 16.767434683 aliased stop_ save_