data_nef_c30223_5ucf 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 30221 BMRB 30222 PDB 5UCF 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 ALA 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 LEU 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 VAL 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 8.4000 0.0000 A 1 MET HA H 1 4.6900 0.0000 A 1 MET HBx H 1 1.9180 0.0000 A 1 MET HGx H 1 2.3480 0.0000 A 1 MET C C 13 174.2760 0.0000 A 1 MET CA C 13 54.5960 0.0000 A 1 MET CB C 13 35.2660 0.0000 A 1 MET CG C 13 31.7940 0.0000 A 1 MET N N 15 120.1280 0.0000 A 2 THR H H 1 8.1190 0.0000 A 2 THR HA H 1 4.8000 0.0000 A 2 THR HB H 1 3.9100 0.0000 A 2 THR HG2% H 1 1.2120 0.0000 A 2 THR C C 13 174.2750 0.0000 A 2 THR CA C 13 63.4740 0.0000 A 2 THR CB C 13 69.3030 0.0000 A 2 THR CG2 C 13 21.8900 0.0000 A 2 THR N N 15 116.9900 0.0000 A 3 PHE H H 1 9.3690 0.0000 A 3 PHE HA H 1 5.3740 0.0000 A 3 PHE HBy H 1 3.3970 0.0000 A 3 PHE HBx H 1 2.9400 0.0000 A 3 PHE C C 13 174.5430 0.0000 A 3 PHE CA C 13 57.0620 0.0000 A 3 PHE CB C 13 44.1570 0.0000 A 3 PHE N N 15 126.1500 0.0000 A 4 LYS H H 1 8.9310 0.0000 A 4 LYS HA H 1 5.4100 0.0000 A 4 LYS HBy H 1 2.0100 0.0000 A 4 LYS HBx H 1 1.9020 0.0000 A 4 LYS HDx H 1 1.6480 0.0000 A 4 LYS HEx H 1 2.7870 0.0000 A 4 LYS HGy H 1 1.5140 0.0000 A 4 LYS HGx H 1 1.4110 0.0000 A 4 LYS C C 13 173.9960 0.0000 A 4 LYS CA C 13 54.6970 0.0000 A 4 LYS CB C 13 36.4910 0.0000 A 4 LYS CD C 13 29.0160 0.0000 A 4 LYS CE C 13 41.8100 0.0000 A 4 LYS CG C 13 25.4710 0.0000 A 4 LYS N N 15 121.7550 0.0000 A 5 ALA H H 1 8.7710 0.0000 A 5 ALA HA H 1 5.4250 0.0000 A 5 ALA HB% H 1 0.1450 0.0000 A 5 ALA C C 13 175.3560 0.0000 A 5 ALA CA C 13 50.0370 0.0000 A 5 ALA CB C 13 18.6530 0.0000 A 5 ALA N N 15 125.6120 0.0000 A 6 ILE H H 1 9.0460 0.0000 A 6 ILE HA H 1 4.3540 0.0000 A 6 ILE HB H 1 1.9250 0.0000 A 6 ILE HD1% H 1 0.8160 0.0000 A 6 ILE HG1y H 1 1.4780 0.0000 A 6 ILE HG1x H 1 1.1380 0.0000 A 6 ILE HG2% H 1 0.8660 0.0000 A 6 ILE C C 13 174.4450 0.0000 A 6 ILE CA C 13 60.3270 0.0000 A 6 ILE CB C 13 39.3170 0.0000 A 6 ILE CD1 C 13 12.9890 0.0000 A 6 ILE CG1 C 13 27.6040 0.0000 A 6 ILE CG2 C 13 17.1510 0.0000 A 6 ILE N N 15 122.9700 0.0000 A 7 ILE H H 1 8.6210 0.0000 A 7 ILE HA H 1 4.2120 0.0000 A 7 ILE HB H 1 1.4820 0.0000 A 7 ILE HD1% H 1 0.0070 0.0000 A 7 ILE HG1y H 1 1.2020 0.0000 A 7 ILE HG1x H 1 0.7410 0.0000 A 7 ILE HG2% H 1 0.3710 0.0000 A 7 ILE C C 13 174.7780 0.0000 A 7 ILE CA C 13 59.9650 0.0000 A 7 ILE CB C 13 38.7410 0.0000 A 7 ILE CD1 C 13 13.6290 0.0000 A 7 ILE CG1 C 13 27.3880 0.0000 A 7 ILE CG2 C 13 17.8040 0.0000 A 7 ILE N N 15 126.0660 0.0000 A 8 ASN H H 1 8.8960 0.0000 A 8 ASN HA H 1 5.2430 0.0000 A 8 ASN HBy H 1 2.9370 0.0000 A 8 ASN HBx H 1 2.5160 0.0000 A 8 ASN HD2y H 1 7.2280 0.0000 A 8 ASN HD2x H 1 6.8070 0.0000 A 8 ASN C C 13 175.4870 0.0000 A 8 ASN CA C 13 51.0410 0.0000 A 8 ASN CB C 13 37.9840 0.0000 A 8 ASN N N 15 128.8540 0.0000 A 8 ASN ND2 N 15 111.3050 0.0000 A 9 GLY H H 1 7.8940 0.0000 A 9 GLY HAy H 1 4.5160 0.0000 A 9 GLY HAx H 1 4.1150 0.0000 A 9 GLY C C 13 173.7300 0.0000 A 9 GLY CA C 13 44.7800 0.0000 A 9 GLY N N 15 110.1820 0.0000 A 10 LYS H H 1 9.2290 0.0000 A 10 LYS HA H 1 4.1130 0.0000 A 10 LYS HBx H 1 1.8390 0.0000 A 10 LYS HDx H 1 1.6300 0.0000 A 10 LYS HEx H 1 2.9810 0.0000 A 10 LYS HGx H 1 1.4450 0.0000 A 10 LYS C C 13 178.8940 0.0000 A 10 LYS CA C 13 58.9590 0.0000 A 10 LYS CB C 13 32.4530 0.0000 A 10 LYS CD C 13 29.0730 0.0000 A 10 LYS CE C 13 41.9300 0.0000 A 10 LYS CG C 13 25.5880 0.0000 A 10 LYS N N 15 120.7090 0.0000 A 11 THR H H 1 8.8250 0.0000 A 11 THR HA H 1 4.3780 0.0000 A 11 THR HB H 1 4.2230 0.0000 A 11 THR HG1 H 1 1.1450 0.0000 A 11 THR HG2% H 1 1.1990 0.0000 A 11 THR C C 13 173.8810 0.0000 A 11 THR CA C 13 62.0430 0.0000 A 11 THR CB C 13 69.7650 0.0000 A 11 THR CG2 C 13 21.8190 0.0000 A 11 THR N N 15 109.5140 0.0000 A 12 LEU H H 1 7.6050 0.0000 A 12 LEU HA H 1 4.4640 0.0000 A 12 LEU HBy H 1 1.5680 0.0000 A 12 LEU HBx H 1 1.4810 0.0000 A 12 LEU HDx% H 1 0.8840 0.0000 A 12 LEU HG H 1 1.4390 0.0000 A 12 LEU C C 13 173.7750 0.0000 A 12 LEU CA C 13 55.0260 0.0000 A 12 LEU CB C 13 43.7990 0.0000 A 12 LEU CDx C 13 24.5830 0.0000 A 12 LEU CG C 13 27.0680 0.0000 A 12 LEU N N 15 125.0570 0.0000 A 13 LYS H H 1 8.0680 0.0000 A 13 LYS HA H 1 5.1520 0.0000 A 13 LYS HBy H 1 1.9250 0.0000 A 13 LYS HBx H 1 1.7610 0.0000 A 13 LYS HDy H 1 1.7870 0.0000 A 13 LYS HDx H 1 1.6960 0.0000 A 13 LYS HEy H 1 3.0140 0.0000 A 13 LYS HEx H 1 2.9350 0.0000 A 13 LYS HGx H 1 1.4580 0.0000 A 13 LYS C C 13 176.3290 0.0000 A 13 LYS CA C 13 53.8630 0.0000 A 13 LYS CB C 13 35.2940 0.0000 A 13 LYS CD C 13 29.0890 0.0000 A 13 LYS CE C 13 42.3780 0.0000 A 13 LYS CG C 13 25.1800 0.0000 A 13 LYS N N 15 122.2820 0.0000 A 14 GLY H H 1 8.3470 0.0000 A 14 GLY HAy H 1 4.1980 0.0000 A 14 GLY HAx H 1 3.7750 0.0000 A 14 GLY C C 13 171.6010 0.0000 A 14 GLY CA C 13 45.0890 0.0000 A 14 GLY N N 15 109.5810 0.0000 A 15 GLU H H 1 8.4430 0.0000 A 15 GLU HA H 1 5.5430 0.0000 A 15 GLU HBx H 1 2.0880 0.0000 A 15 GLU HGx H 1 2.1800 0.0000 A 15 GLU C C 13 174.8010 0.0000 A 15 GLU CA C 13 54.9390 0.0000 A 15 GLU CB C 13 33.6340 0.0000 A 15 GLU CG C 13 36.1540 0.0000 A 15 GLU N N 15 119.0870 0.0000 A 16 THR H H 1 8.8390 0.0000 A 16 THR HA H 1 4.8150 0.0000 A 16 THR HB H 1 4.2250 0.0000 A 16 THR HG2% H 1 1.2110 0.0000 A 16 THR C C 13 172.0150 0.0000 A 16 THR CA C 13 60.8810 0.0000 A 16 THR CB C 13 69.7860 0.0000 A 16 THR CG2 C 13 21.6920 0.0000 A 16 THR N N 15 116.7310 0.0000 A 17 THR H H 1 7.9950 0.0000 A 17 THR HA H 1 5.9320 0.0000 A 17 THR HB H 1 4.3430 0.0000 A 17 THR HG2% H 1 1.2350 0.0000 A 17 THR C C 13 174.0300 0.0000 A 17 THR CA C 13 59.9460 0.0000 A 17 THR CB C 13 73.0640 0.0000 A 17 THR CG2 C 13 21.3840 0.0000 A 17 THR N N 15 113.3300 0.0000 A 18 THR H H 1 9.0240 0.0000 A 18 THR HA H 1 4.6430 0.0000 A 18 THR HB H 1 3.8040 0.0000 A 18 THR HG2% H 1 0.4620 0.0000 A 18 THR C C 13 171.0730 0.0000 A 18 THR CA C 13 62.1970 0.0000 A 18 THR CB C 13 69.8420 0.0000 A 18 THR CG2 C 13 18.3860 0.0000 A 18 THR N N 15 115.4430 0.0000 A 19 GLU H H 1 7.9500 0.0000 A 19 GLU HA H 1 5.5030 0.0000 A 19 GLU HBx H 1 1.8720 0.0000 A 19 GLU HGx H 1 2.1070 0.0000 A 19 GLU C C 13 176.2460 0.0000 A 19 GLU CA C 13 54.7340 0.0000 A 19 GLU CB C 13 31.1750 0.0000 A 19 GLU CG C 13 36.5210 0.0000 A 19 GLU N N 15 124.5530 0.0000 A 20 ALA H H 1 9.3420 0.0000 A 20 ALA HA H 1 4.9090 0.0000 A 20 ALA HB% H 1 1.3130 0.0000 A 20 ALA C C 13 177.3280 0.0000 A 20 ALA CA C 13 50.9390 0.0000 A 20 ALA CB C 13 23.3790 0.0000 A 20 ALA N N 15 125.2760 0.0000 A 21 VAL H H 1 8.4590 0.0000 A 21 VAL HA H 1 4.1600 0.0000 A 21 VAL HB H 1 2.1680 0.0000 A 21 VAL HGx% H 1 0.9670 0.0000 A 21 VAL HGy% H 1 0.9670 0.0000 A 21 VAL C C 13 174.7780 0.0000 A 21 VAL CA C 13 63.7100 0.0000 A 21 VAL CB C 13 32.0810 0.0000 A 21 VAL CGx C 13 20.0880 0.0000 A 21 VAL CGy C 13 20.9280 0.0000 A 21 VAL N N 15 114.2730 0.0000 A 22 ASP H H 1 7.2510 0.0000 A 22 ASP HA H 1 4.6720 0.0000 A 22 ASP HBx H 1 3.0490 0.0000 A 22 ASP C C 13 174.2330 0.0000 A 22 ASP CA C 13 52.5450 0.0000 A 22 ASP CB C 13 42.3370 0.0000 A 22 ASP N N 15 113.5010 0.0000 A 23 ALA H H 1 8.6490 0.0000 A 23 ALA HA H 1 3.1520 0.0000 A 23 ALA HB% H 1 1.1410 0.0000 A 23 ALA C C 13 179.0580 0.0000 A 23 ALA CA C 13 54.7700 0.0000 A 23 ALA CB C 13 17.6090 0.0000 A 23 ALA N N 15 121.9770 0.0000 A 24 ALA H H 1 8.1130 0.0000 A 24 ALA HA H 1 3.9960 0.0000 A 24 ALA HB% H 1 1.3010 0.0000 A 24 ALA C C 13 180.9200 0.0000 A 24 ALA CA C 13 54.8080 0.0000 A 24 ALA CB C 13 17.9300 0.0000 A 24 ALA N N 15 120.7730 0.0000 A 25 THR H H 1 8.2900 0.0000 A 25 THR HA H 1 3.7170 0.0000 A 25 THR HB H 1 4.0290 0.0000 A 25 THR HG2% H 1 1.2290 0.0000 A 25 THR C C 13 175.9890 0.0000 A 25 THR CA C 13 66.7570 0.0000 A 25 THR CB C 13 67.8610 0.0000 A 25 THR CG2 C 13 21.1300 0.0000 A 25 THR N N 15 116.2370 0.0000 A 26 ALA H H 1 7.3520 0.0000 A 26 ALA HA H 1 3.1130 0.0000 A 26 ALA HB% H 1 0.5590 0.0000 A 26 ALA C C 13 177.1100 0.0000 A 26 ALA CA C 13 54.9000 0.0000 A 26 ALA CB C 13 17.5210 0.0000 A 26 ALA N N 15 123.6890 0.0000 A 27 GLU H H 1 8.3630 0.0000 A 27 GLU HA H 1 2.8010 0.0000 A 27 GLU HBy H 1 2.0190 0.0000 A 27 GLU HBx H 1 1.8410 0.0000 A 27 GLU HGx H 1 1.6160 0.0000 A 27 GLU C C 13 177.2720 0.0000 A 27 GLU CA C 13 59.6920 0.0000 A 27 GLU CB C 13 29.4600 0.0000 A 27 GLU CG C 13 35.8080 0.0000 A 27 GLU N N 15 116.6230 0.0000 A 28 LYS H H 1 6.9070 0.0000 A 28 LYS HA H 1 3.7270 0.0000 A 28 LYS HBx H 1 1.8390 0.0000 A 28 LYS HDx H 1 1.6220 0.0000 A 28 LYS HEx H 1 2.8940 0.0000 A 28 LYS HGy H 1 1.5410 0.0000 A 28 LYS HGx H 1 1.3340 0.0000 A 28 LYS C C 13 179.7200 0.0000 A 28 LYS CA C 13 59.4170 0.0000 A 28 LYS CB C 13 32.2530 0.0000 A 28 LYS CD C 13 29.1700 0.0000 A 28 LYS CE C 13 41.8430 0.0000 A 28 LYS CG C 13 25.1270 0.0000 A 28 LYS N N 15 116.4760 0.0000 A 29 VAL H H 1 7.4440 0.0000 A 29 VAL HA H 1 3.5630 0.0000 A 29 VAL HB H 1 1.7270 0.0000 A 29 VAL HGx% H 1 0.8730 0.0000 A 29 VAL HGy% H 1 0.7140 0.0000 A 29 VAL C C 13 179.7860 0.0000 A 29 VAL CA C 13 66.2070 0.0000 A 29 VAL CB C 13 31.5470 0.0000 A 29 VAL CGy C 13 21.8060 0.0000 A 29 VAL CGx C 13 20.4710 0.0000 A 29 VAL N N 15 120.9040 0.0000 A 30 PHE H H 1 8.4530 0.0000 A 30 PHE HA H 1 4.5870 0.0000 A 30 PHE HBx H 1 2.6640 0.0000 A 30 PHE HDx H 1 6.5770 0.0000 A 30 PHE HEx H 1 7.0650 0.0000 A 30 PHE C C 13 177.8760 0.0000 A 30 PHE CA C 13 58.1550 0.0000 A 30 PHE CB C 13 37.9360 0.0000 A 30 PHE CDx C 13 130.6870 0.0000 A 30 PHE CEx C 13 130.4150 0.0000 A 30 PHE N N 15 119.8810 0.0000 A 31 LYS H H 1 9.0230 0.0000 A 31 LYS HA H 1 4.0340 0.0000 A 31 LYS HBy H 1 1.7050 0.0000 A 31 LYS HBx H 1 1.6180 0.0000 A 31 LYS HDy H 1 1.2270 0.0000 A 31 LYS HDx H 1 1.1670 0.0000 A 31 LYS HEy H 1 2.0550 0.0000 A 31 LYS HEx H 1 1.9510 0.0000 A 31 LYS HGy H 1 0.9470 0.0000 A 31 LYS HGx H 1 0.7560 0.0000 A 31 LYS C C 13 179.1790 0.0000 A 31 LYS CA C 13 60.2130 0.0000 A 31 LYS CB C 13 31.9690 0.0000 A 31 LYS CD C 13 29.1680 0.0000 A 31 LYS CE C 13 41.2120 0.0000 A 31 LYS CG C 13 26.2080 0.0000 A 31 LYS N N 15 121.0170 0.0000 A 32 GLN H H 1 7.5120 0.0000 A 32 GLN HA H 1 4.0420 0.0000 A 32 GLN HBx H 1 2.2020 0.0000 A 32 GLN HE2y H 1 7.8710 0.0000 A 32 GLN HE2x H 1 6.8540 0.0000 A 32 GLN HGx H 1 2.4090 0.0000 A 32 GLN C C 13 177.1700 0.0000 A 32 GLN CA C 13 58.6560 0.0000 A 32 GLN CB C 13 28.2120 0.0000 A 32 GLN CG C 13 33.5630 0.0000 A 32 GLN N N 15 118.6180 0.0000 A 32 GLN NE2 N 15 114.8380 0.0000 A 33 TYR H H 1 7.9290 0.0000 A 33 TYR HA H 1 4.3000 0.0000 A 33 TYR HBx H 1 3.2370 0.0000 A 33 TYR HDx H 1 6.7200 0.0000 A 33 TYR HEx H 1 6.6110 0.0000 A 33 TYR C C 13 178.7450 0.0000 A 33 TYR CA C 13 61.5070 0.0000 A 33 TYR CB C 13 38.1400 0.0000 A 33 TYR CDx C 13 132.9160 0.0000 A 33 TYR CEx C 13 118.0710 0.0000 A 33 TYR N N 15 120.5960 0.0000 A 34 PHE H H 1 9.0830 0.0000 A 34 PHE HBx H 1 3.5330 0.0000 A 34 PHE HDx H 1 7.2440 0.0000 A 34 PHE HEx H 1 7.0640 0.0000 A 34 PHE C C 13 178.3370 0.0000 A 34 PHE CA C 13 61.5890 0.0000 A 34 PHE CB C 13 37.4020 0.0000 A 34 PHE CDx C 13 130.4130 0.0000 A 34 PHE CEx C 13 131.3480 0.0000 A 34 PHE N N 15 119.7300 0.0000 A 35 ASN H H 1 8.5510 0.0000 A 35 ASN HA H 1 4.5550 0.0000 A 35 ASN HBx H 1 2.9210 0.0000 A 35 ASN HD2y H 1 7.6810 0.0000 A 35 ASN HD2x H 1 6.9690 0.0000 A 35 ASN C C 13 178.9440 0.0000 A 35 ASN CA C 13 56.7480 0.0000 A 35 ASN CB C 13 38.8060 0.0000 A 35 ASN N N 15 119.7090 0.0000 A 35 ASN ND2 N 15 111.9720 0.0000 A 36 ASP H H 1 8.7290 0.0000 A 36 ASP HA H 1 4.4390 0.0000 A 36 ASP HBx H 1 2.7730 0.0000 A 36 ASP C C 13 177.0930 0.0000 A 36 ASP CA C 13 56.6940 0.0000 A 36 ASP CB C 13 40.1650 0.0000 A 36 ASP N N 15 120.9510 0.0000 A 37 ASN H H 1 7.4230 0.0000 A 37 ASN HA H 1 4.6900 0.0000 A 37 ASN HBx H 1 3.4540 0.0000 A 37 ASN HD2y H 1 6.7370 0.0000 A 37 ASN HD2x H 1 6.4810 0.0000 A 37 ASN C C 13 174.3330 0.0000 A 37 ASN CA C 13 53.7880 0.0000 A 37 ASN CB C 13 39.9940 0.0000 A 37 ASN N N 15 115.5710 0.0000 A 37 ASN ND2 N 15 114.3220 0.0000 A 38 GLY H H 1 7.8380 0.0000 A 38 GLY HAx H 1 3.9330 0.0000 A 38 GLY C C 13 173.9750 0.0000 A 38 GLY CA C 13 46.7650 0.0000 A 38 GLY N N 15 108.5490 0.0000 A 39 LEU H H 1 8.0750 0.0000 A 39 LEU HA H 1 4.5610 0.0000 A 39 LEU HBx H 1 1.3680 0.0000 A 39 LEU HDx% H 1 1.2480 0.0000 A 39 LEU HG H 1 1.3360 0.0000 A 39 LEU C C 13 175.0860 0.0000 A 39 LEU CA C 13 54.1310 0.0000 A 39 LEU CB C 13 44.3210 0.0000 A 39 LEU CDx C 13 24.3970 0.0000 A 39 LEU CG C 13 27.2480 0.0000 A 39 LEU N N 15 121.4610 0.0000 A 40 ASP H H 1 8.5010 0.0000 A 40 ASP HA H 1 4.1650 0.0000 A 40 ASP HBx H 1 3.5150 0.0000 A 40 ASP C C 13 174.5620 0.0000 A 40 ASP CA C 13 53.316 0.0000 A 40 ASP CB C 13 43.1980 0.0000 A 40 ASP N N 15 122.9190 0.0000 A 41 GLY H H 1 8.2160 0.0000 A 41 GLY HAy H 1 4.1450 0.0000 A 41 GLY HAx H 1 3.6670 0.0000 A 41 GLY C C 13 171.9500 0.0000 A 41 GLY CA C 13 45.0630 0.0000 A 41 GLY N N 15 106.4850 0.0000 A 42 GLU H H 1 8.3360 0.0000 A 42 GLU HA H 1 4.3360 0.0000 A 42 GLU HBy H 1 2.4480 0.0000 A 42 GLU HBx H 1 2.3840 0.0000 A 42 GLU HGy H 1 1.9180 0.0000 A 42 GLU HGx H 1 1.8350 0.0000 A 42 GLU C C 13 176.7530 0.0000 A 42 GLU CA C 13 56.0610 0.0000 A 42 GLU CB C 13 31.1110 0.0000 A 42 GLU CG C 13 34.3470 0.0000 A 42 GLU N N 15 120.0310 0.0000 A 43 TRP H H 1 9.1500 0.0000 A 43 TRP HA H 1 5.1610 0.0000 A 43 TRP HBy H 1 3.2540 0.0000 A 43 TRP HBx H 1 3.1860 0.0000 A 43 TRP HD1 H 1 7.4970 0.0000 A 43 TRP HE1 H 1 10.4550 0.0000 A 43 TRP HE3 H 1 7.4780 0.0000 A 43 TRP HH2 H 1 6.3720 0.0000 A 43 TRP HZ2 H 1 7.1180 0.0000 A 43 TRP HZ3 H 1 6.5800 0.0000 A 43 TRP C C 13 176.9360 0.0000 A 43 TRP CA C 13 57.7310 0.0000 A 43 TRP CB C 13 30.0580 0.0000 A 43 TRP CD1 C 13 126.8170 0.0000 A 43 TRP CE3 C 13 119.5970 0.0000 A 43 TRP CH2 C 13 120.0540 0.0000 A 43 TRP CZ2 C 13 114.1500 0.0000 A 43 TRP CZ3 C 13 123.4150 0.0000 A 43 TRP N N 15 127.2060 0.0000 A 43 TRP NE1 N 15 130.9500 0.0000 A 44 THR H H 1 9.1070 0.0000 A 44 THR HA H 1 4.8260 0.0000 A 44 THR HB H 1 4.2630 0.0000 A 44 THR HG2% H 1 1.2390 0.0000 A 44 THR C C 13 172.8360 0.0000 A 44 THR CA C 13 60.7440 0.0000 A 44 THR CB C 13 71.7840 0.0000 A 44 THR CG2 C 13 21.9010 0.0000 A 44 THR N N 15 115.3180 0.0000 A 45 TYR H H 1 8.7150 0.0000 A 45 TYR HA H 1 4.9440 0.0000 A 45 TYR HBy H 1 2.9430 0.0000 A 45 TYR HBx H 1 2.5770 0.0000 A 45 TYR HDx H 1 7.7810 0.0000 A 45 TYR HEx H 1 6.8410 0.0000 A 45 TYR C C 13 173.2500 0.0000 A 45 TYR CA C 13 57.0380 0.0000 A 45 TYR CB C 13 41.5500 0.0000 A 45 TYR CDx C 13 132.6650 0.0000 A 45 TYR CEx C 13 117.3380 0.0000 A 45 TYR N N 15 122.0240 0.0000 A 46 ASP H H 1 7.5640 0.0000 A 46 ASP HA H 1 4.5930 0.0000 A 46 ASP HBy H 1 2.6080 0.0000 A 46 ASP HBx H 1 2.2650 0.0000 A 46 ASP C C 13 174.4810 0.0000 A 46 ASP CA C 13 51.9010 0.0000 A 46 ASP CB C 13 43.0950 0.0000 A 46 ASP N N 15 128.4860 0.0000 A 47 ASP H H 1 8.5320 0.0000 A 47 ASP HA H 1 4.1400 0.0000 A 47 ASP HBy H 1 2.8180 0.0000 A 47 ASP HBx H 1 2.5200 0.0000 A 47 ASP C C 13 178.0540 0.0000 A 47 ASP CA C 13 56.1400 0.0000 A 47 ASP CB C 13 42.0860 0.0000 A 47 ASP N N 15 124.9990 0.0000 A 48 ALA H H 1 8.2900 0.0000 A 48 ALA HA H 1 4.0980 0.0000 A 48 ALA HB% H 1 1.4960 0.0000 A 48 ALA C C 13 179.8520 0.0000 A 48 ALA CA C 13 55.0160 0.0000 A 48 ALA CB C 13 18.3240 0.0000 A 48 ALA N N 15 119.7480 0.0000 A 49 THR H H 1 6.9830 0.0000 A 49 THR HA H 1 4.3920 0.0000 A 49 THR HB H 1 4.4000 0.0000 A 49 THR HG2% H 1 1.0830 0.0000 A 49 THR C C 13 175.3970 0.0000 A 49 THR CA C 13 60.3460 0.0000 A 49 THR CB C 13 70.0760 0.0000 A 49 THR CG2 C 13 21.1350 0.0000 A 49 THR N N 15 103.1930 0.0000 A 50 LYS H H 1 7.8390 0.0000 A 50 LYS HA H 1 4.2100 0.0000 A 50 LYS HBy H 1 1.9700 0.0000 A 50 LYS HBx H 1 1.9650 0.0000 A 50 LYS HDy H 1 1.4850 0.0000 A 50 LYS HDx H 1 1.3290 0.0000 A 50 LYS HEy H 1 2.9820 0.0000 A 50 LYS HEx H 1 2.9240 0.0000 A 50 LYS HGx H 1 1.2050 0.0000 A 50 LYS C C 13 174.9240 0.0000 A 50 LYS CA C 13 56.7250 0.0000 A 50 LYS CB C 13 29.3190 0.0000 A 50 LYS CD C 13 28.3440 0.0000 A 50 LYS CE C 13 42.6530 0.0000 A 50 LYS CG C 13 24.5930 0.0000 A 50 LYS N N 15 123.8050 0.0000 A 51 THR H H 1 7.3090 0.0000 A 51 THR HA H 1 5.6210 0.0000 A 51 THR HB H 1 3.8050 0.0000 A 51 THR HG2% H 1 1.0290 0.0000 A 51 THR C C 13 174.9140 0.0000 A 51 THR CA C 13 61.8770 0.0000 A 51 THR CB C 13 72.3110 0.0000 A 51 THR CG2 C 13 20.9180 0.0000 A 51 THR N N 15 110.8470 0.0000 A 52 PHE H H 1 10.2590 0.0000 A 52 PHE HA H 1 5.7130 0.0000 A 52 PHE HBy H 1 3.1080 0.0000 A 52 PHE HBx H 1 3.0070 0.0000 A 52 PHE HDx H 1 7.7600 0.0000 A 52 PHE HEx H 1 7.2220 0.0000 A 52 PHE C C 13 174.9980 0.0000 A 52 PHE CA C 13 57.1610 0.0000 A 52 PHE CB C 13 41.5420 0.0000 A 52 PHE CDx C 13 132.7270 0.0000 A 52 PHE CEx C 13 131.2290 0.0000 A 52 PHE N N 15 130.6180 0.0000 A 53 THR H H 1 9.1210 0.0000 A 53 THR HA H 1 4.9660 0.0000 A 53 THR HB H 1 3.8420 0.0000 A 53 THR HG2% H 1 0.9930 0.0000 A 53 THR C C 13 172.9110 0.0000 A 53 THR CA C 13 62.2980 0.0000 A 53 THR CB C 13 70.4420 0.0000 A 53 THR CG2 C 13 20.7090 0.0000 A 53 THR N N 15 118.7300 0.0000 A 54 VAL H H 1 8.5030 0.0000 A 54 VAL HA H 1 4.3720 0.0000 A 54 VAL HB H 1 0.8180 0.0000 A 54 VAL HGx% H 1 -0.1520 0.0000 A 54 VAL HGy% H 1 -0.8350 0.0000 A 54 VAL C C 13 174.5850 0.0000 A 54 VAL CA C 13 59.7870 0.0000 A 54 VAL CB C 13 32.2860 0.0000 A 54 VAL CGy C 13 19.6360 0.0000 A 54 VAL CGx C 13 18.7680 0.0000 A 54 VAL N N 15 127.2720 0.0000 A 55 THR H H 1 8.5540 0.0000 A 55 THR HA H 1 4.7280 0.0000 A 55 THR HB H 1 3.9770 0.0000 A 55 THR HG2% H 1 1.2520 0.0000 A 55 THR C C 13 173.8060 0.0000 A 55 THR CA C 13 61.2830 0.0000 A 55 THR CB C 13 70.6090 0.0000 A 55 THR CG2 C 13 21.3320 0.0000 A 55 THR N N 15 123.4900 0.0000 A 56 GLU H H 1 7.8310 0.0000 A 56 GLU HA H 1 4.2040 0.0000 A 56 GLU HBy H 1 2.1310 0.0000 A 56 GLU HBx H 1 1.9190 0.0000 A 56 GLU HGy H 1 2.3850 0.0000 A 56 GLU HGx H 1 2.3120 0.0000 A 56 GLU CA C 13 58.3000 0.0000 A 56 GLU CB C 13 32.5810 0.0000 A 56 GLU CG C 13 36.9680 0.0000 A 56 GLU N N 15 133.4640 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 8 ASN H A 56 GLU H 1.0 . 4.31 2 2 A 8 ASN H A 7 ILE HA 1.0 . 3.00 3 3 A 8 ASN H A 8 ASN HBx 1.0 . 3.92 4 4 A 8 ASN H A 54 VAL HB 1.0 . 3.88 5 5 A 8 ASN H A 7 ILE HG2% 1.0 . 4.31 6 6 A 8 ASN H A 54 VAL HGy% 1.0 . 4.65 7 7 A 8 ASN H A 8 ASN HBy 1.0 . 3.92 8 8 A 8 ASN H A 55 THR HA 1.0 . 3.97 9 9 A 52 PHE H A 52 PHE HD% 1.0 . 4.03 10 10 A 52 PHE H A 51 THR HA 1.0 . 3.24 11 11 A 52 PHE H A 5 ALA HA 1.0 . 3.89 12 12 A 52 PHE H A 51 THR HG2% 1.0 . 3.89 13 13 A 56 GLU H A 55 THR HA 1.0 . 3.09 14 14 A 56 GLU H A 56 GLU HBy 1.0 . 3.82 15 15 A 56 GLU H A 56 GLU HBx 1.0 . 3.82 16 16 A 56 GLU H A 55 THR HG2% 1.0 . 3.86 17 17 A 43 TRP H A 43 TRP HE3 1.0 . 3.60 18 18 A 43 TRP H A 42 GLU H 1.0 . 4.72 19 19 A 3 PHE H A 18 THR H 1.0 . 3.70 20 20 A 3 PHE H A 17 THR HB 1.0 . 5.50 21 21 A 3 PHE H A 2 THR HB 1.0 . 4.57 22 22 A 3 PHE H A 3 PHE HBy 1.0 . 4.16 23 23 A 3 PHE H A 3 PHE HBx 1.0 . 4.16 24 24 A 3 PHE H A 2 THR HG2% 1.0 . 3.46 25 25 A 3 PHE H A 18 THR HG2% 1.0 . 5.46 26 26 A 1 MET H1 A 20 ALA H 1.0 . 3.59 27 27 A 20 ALA H A 19 GLU HA 1.0 . 2.85 28 28 A 20 ALA H A 18 THR HB 1.0 . 5.06 29 29 A 20 ALA H A 19 GLU HGx 1.0 . 4.30 30 29 A 20 ALA H A 19 GLU HGy 1.0 . 4.30 31 30 A 20 ALA H A 19 GLU HBx 1.0 . 4.05 32 30 A 20 ALA H A 19 GLU HBy 1.0 . 4.05 33 31 A 20 ALA H A 20 ALA HB% 1.0 . 3.69 34 32 A 18 THR HG2% A 20 ALA H 1.0 . 4.74 35 33 A 5 ALA H A 17 THR HG2% 1.0 . 4.63 36 34 A 5 ALA H A 4 LYS HA 1.0 . 3.41 37 35 A 18 THR H A 5 ALA H 1.0 . 4.38 38 36 A 5 ALA H A 5 ALA HB% 1.0 . 4.02 39 37 A 5 ALA H A 17 THR HA 1.0 . 4.63 40 38 A 7 ILE H A 15 GLU HA 1.0 . 3.65 41 39 A 7 ILE H A 6 ILE HA 1.0 . 2.72 42 40 A 7 ILE H A 6 ILE HB 1.0 . 4.32 43 41 A 7 ILE H A 6 ILE HD1% 1.0 . 3.41 44 42 A 7 ILE H A 7 ILE HB 1.0 . 3.25 45 43 A 7 ILE H A 6 ILE H 1.0 . 4.59 46 44 A 53 THR HA A 54 VAL H 1.0 . 3.23 47 45 A 54 VAL H A 53 THR HB 1.0 . 4.61 48 46 A 54 VAL H A 54 VAL HGx% 1.0 . 4.26 49 47 A 46 ASP H A 52 PHE HA 1.0 . 4.32 50 48 A 46 ASP H A 45 TYR HA 1.0 . 3.01 51 49 A 46 ASP H A 46 ASP HBy 1.0 . 3.34 52 50 A 46 ASP H A 46 ASP HBx 1.0 . 3.96 53 51 A 51 THR HG2% A 46 ASP H 1.0 . 5.14 54 52 A 46 ASP H A 53 THR H 1.0 . 5.03 55 53 A 46 ASP H A 45 TYR H 1.0 . 4.71 56 54 A 11 THR H A 12 LEU H 1.0 . 3.39 57 55 A 12 LEU H A 11 THR HG1 1.0 . 4.47 58 56 A 12 LEU H A 12 LEU HDx% 1.0 . 4.53 59 56 A 12 LEU H A 12 LEU HD21 1.0 . 4.53 60 57 A 3 PHE H A 19 GLU H 1.0 . 5.50 61 58 A 20 ALA H A 19 GLU H 1.0 . 5.50 62 59 A 19 GLU H A 19 GLU HGx 1.0 . 4.18 63 59 A 19 GLU HGy A 19 GLU H 1.0 . 4.18 64 60 A 19 GLU H A 18 THR HA 1.0 . 3.18 65 61 A 18 THR HB A 19 GLU H 1.0 . 4.60 66 62 A 17 THR HB A 19 GLU H 1.0 . 5.50 67 63 A 19 GLU H A 19 GLU HBx 1.0 . 3.29 68 63 A 19 GLU HBy A 19 GLU H 1.0 . 3.29 69 64 A 18 THR HG2% A 19 GLU H 1.0 . 4.40 70 65 A 47 ASP H A 49 THR H 1.0 . 4.51 71 66 A 46 ASP H A 47 ASP H 1.0 . 4.53 72 67 A 47 ASP H A 46 ASP HA 1.0 . 2.43 73 68 A 47 ASP H A 48 ALA H 1.0 . 3.30 74 69 A 47 ASP H A 47 ASP HBy 1.0 . 2.81 75 70 A 47 ASP H A 47 ASP HBx 1.0 . 3.05 76 71 A 47 ASP H A 48 ALA HB% 1.0 . 4.58 77 72 A 46 ASP HBx A 47 ASP H 1.0 . 4.32 78 73 A 50 LYS H A 51 THR H 1.0 . 3.01 79 74 A 49 THR H A 50 LYS H 1.0 . 2.66 80 75 A 50 LYS H A 47 ASP HA 1.0 . 3.01 81 76 A 50 LYS H A 51 THR HB 1.0 . 5.31 82 77 A 46 ASP HBy A 50 LYS H 1.0 . 4.66 83 78 A 50 LYS H A 50 LYS HGx 1.0 . 3.15 84 78 A 50 LYS H A 50 LYS HGy 1.0 . 3.15 85 79 A 25 THR H A 26 ALA H 1.0 . 2.90 86 80 A 26 ALA H A 25 THR HB 1.0 . 2.90 87 81 A 20 ALA HB% A 26 ALA H 1.0 . 3.41 88 82 A 26 ALA H A 26 ALA HB% 1.0 . 2.87 89 83 A 54 VAL HA A 55 THR H 1.0 . 3.15 90 84 A 55 THR H A 55 THR HB 1.0 . 3.89 91 85 A 54 VAL HGy% A 55 THR H 1.0 . 4.76 92 86 A 54 VAL HGx% A 55 THR H 1.0 . 4.70 93 87 A 40 ASP H A 41 GLY H 1.0 . 4.20 94 88 A 40 ASP H A 39 LEU HA 1.0 . 3.15 95 89 A 40 ASP H A 39 LEU HBx 1.0 . 4.43 96 89 A 40 ASP H A 39 LEU HBy 1.0 . 4.43 97 90 A 52 PHE H A 6 ILE H 1.0 . 4.95 98 91 A 5 ALA HA A 6 ILE H 1.0 . 3.20 99 92 A 6 ILE H A 53 THR HA 1.0 . 4.14 100 93 A 6 ILE HB A 6 ILE H 1.0 . 3.63 101 94 A 51 THR HG2% A 6 ILE H 1.0 . 4.19 102 95 A 5 ALA HB% A 6 ILE H 1.0 . 4.18 103 96 A 3 PHE H A 4 LYS H 1.0 . 4.55 104 97 A 52 PHE H A 4 LYS H 1.0 . 4.67 105 98 A 52 PHE HD% A 4 LYS H 1.0 . 4.90 106 99 A 51 THR HA A 4 LYS H 1.0 . 3.44 107 100 A 4 LYS H A 3 PHE HA 1.0 . 2.79 108 101 A 4 LYS H A 3 PHE HBy 1.0 . 4.38 109 102 A 4 LYS H A 3 PHE HBx 1.0 . 4.38 110 103 A 51 THR HG2% A 4 LYS H 1.0 . 4.82 111 104 A 31 LYS H A 30 PHE HBx 1.0 . 4.53 112 104 A 30 PHE HBy A 31 LYS H 1.0 . 4.53 113 105 A 10 LYS H A 10 LYS HBx 1.0 . 3.42 114 105 A 10 LYS H A 10 LYS HBy 1.0 . 3.42 115 106 A 10 LYS H A 10 LYS HGx 1.0 . 4.12 116 106 A 10 LYS H A 10 LYS HGy 1.0 . 4.12 117 107 A 32 GLN HA A 34 PHE H 1.0 . 4.79 118 108 A 34 PHE H A 33 TYR HBx 1.0 . 3.78 119 108 A 34 PHE H A 33 TYR HBy 1.0 . 3.78 120 109 A 52 PHE HA A 53 THR H 1.0 . 3.12 121 110 A 45 TYR HA A 53 THR H 1.0 . 4.37 122 111 A 53 THR H A 46 ASP HA 1.0 . 5.50 123 112 A 53 THR HB A 53 THR H 1.0 . 3.48 124 113 A 53 THR H A 53 THR HG2% 1.0 . 4.18 125 114 A 43 TRP HD1 A 44 THR H 1.0 . 4.72 126 115 A 44 THR H A 43 TRP HA 1.0 . 3.12 127 116 A 44 THR H A 44 THR HB 1.0 . 3.98 128 117 A 44 THR H A 44 THR HG2% 1.0 . 3.98 129 118 A 18 THR H A 17 THR H 1.0 . 5.28 130 119 A 18 THR H A 19 GLU H 1.0 . 5.50 131 120 A 18 THR H A 17 THR HA 1.0 . 3.39 132 121 A 18 THR H A 3 PHE HA 1.0 . 5.30 133 122 A 18 THR H A 17 THR HB 1.0 . 3.39 134 123 A 18 THR H A 17 THR HG2% 1.0 . 3.83 135 124 A 18 THR H A 18 THR HG2% 1.0 . 4.07 136 125 A 15 GLU HA A 16 THR H 1.0 . 3.20 137 126 A 5 ALA HB% A 16 THR H 1.0 . 4.76 138 127 A 25 THR H A 25 THR HB 1.0 . 2.77 139 128 A 25 THR H A 22 ASP HBx 1.0 . 3.99 140 128 A 25 THR H A 22 ASP HBy 1.0 . 3.99 141 129 A 25 THR H A 24 ALA HB% 1.0 . 2.82 142 130 A 25 THR H A 26 ALA HB% 1.0 . 4.73 143 131 A 26 ALA H A 27 GLU H 1.0 . 3.05 144 132 A 27 GLU H A 28 LYS H 1.0 . 3.26 145 133 A 27 GLU H A 30 PHE HD% 1.0 . 5.22 146 134 A 27 GLU H A 24 ALA HA 1.0 . 3.57 147 135 A 27 GLU H A 25 THR HA 1.0 . 4.27 148 136 A 27 GLU H A 27 GLU HGx 1.0 . 3.45 149 136 A 27 GLU H A 27 GLU HGy 1.0 . 3.45 150 137 A 26 ALA HB% A 27 GLU H 1.0 . 3.24 151 138 A 1 MET HA A 2 THR H 1.0 . 2.44 152 139 A 2 THR HB A 2 THR H 1.0 . 2.61 153 140 A 2 THR H A 1 MET HGx 1.0 . 4.29 154 140 A 2 THR H A 1 MET HGy 1.0 . 4.29 155 141 A 2 THR H A 1 MET HBx 1.0 . 3.04 156 141 A 2 THR H A 1 MET HBy 1.0 . 3.04 157 142 A 2 THR HG2% A 2 THR H 1.0 . 3.97 158 143 A 31 LYS H A 29 VAL H 1.0 . 4.78 159 144 A 29 VAL H A 30 PHE H 1.0 . 3.42 160 145 A 30 PHE HD% A 29 VAL H 1.0 . 5.24 161 146 A 29 VAL H A 26 ALA HA 1.0 . 4.12 162 147 A 29 VAL H A 29 VAL HB 1.0 . 2.88 163 148 A 31 LYS H A 32 GLN H 1.0 . 4.02 164 149 A 32 GLN H A 33 TYR H 1.0 . 3.73 165 150 A 32 GLN H A 29 VAL HA 1.0 . 4.41 166 151 A 32 GLN H A 32 GLN HBx 1.0 . 3.25 167 151 A 32 GLN H A 32 GLN HBy 1.0 . 3.25 168 152 A 20 ALA HA A 21 VAL H 1.0 . 2.72 169 153 A 21 VAL H A 21 VAL HB 1.0 . 3.16 170 154 A 20 ALA HB% A 21 VAL H 1.0 . 3.00 171 155 A 21 VAL H A 21 VAL HGx% 1.0 . 2.64 172 155 A 21 VAL H A 21 VAL HGy% 1.0 . 2.64 173 156 A 37 ASN H A 36 ASP HBx 1.0 . 3.92 174 156 A 36 ASP HBy A 37 ASN H 1.0 . 3.92 175 157 A 37 ASN H A 39 LEU H 1.0 . 4.11 176 158 A 28 LYS H A 29 VAL H 1.0 . 3.28 177 159 A 28 LYS H A 24 ALA HA 1.0 . 4.21 178 160 A 28 LYS H A 26 ALA HA 1.0 . 4.75 179 161 A 28 LYS H A 28 LYS HBx 1.0 . 2.61 180 161 A 28 LYS H A 28 LYS HBy 1.0 . 2.61 181 162 A 24 ALA HB% A 28 LYS H 1.0 . 4.78 182 163 A 21 VAL H A 22 ASP H 1.0 . 3.15 183 164 A 25 THR HB A 22 ASP H 1.0 . 3.02 184 165 A 22 ASP H A 22 ASP HBx 1.0 . 3.51 185 165 A 22 ASP HBy A 22 ASP H 1.0 . 3.51 186 166 A 21 VAL HB A 22 ASP H 1.0 . 4.16 187 167 A 20 ALA HB% A 22 ASP H 1.0 . 2.95 188 168 A 22 ASP H A 21 VAL HGx% 1.0 . 3.18 189 168 A 21 VAL HGy% A 22 ASP H 1.0 . 3.18 190 169 A 17 THR H A 16 THR HB 1.0 . 4.71 191 170 A 17 THR H A 16 THR HG2% 1.0 . 4.39 192 171 A 46 ASP H A 51 THR H 1.0 . 3.62 193 172 A 51 THR H A 50 LYS HA 1.0 . 3.22 194 173 A 51 THR H A 51 THR HB 1.0 . 3.01 195 174 A 46 ASP HBy A 51 THR H 1.0 . 3.78 196 175 A 46 ASP HBx A 51 THR H 1.0 . 4.38 197 176 A 51 THR HG2% A 51 THR H 1.0 . 4.01 198 177 A 8 ASN H A 9 GLY H 1.0 . 4.62 199 178 A 9 GLY H A 8 ASN HA 1.0 . 3.38 200 179 A 9 GLY H A 13 LYS HGx 1.0 . 4.34 201 179 A 9 GLY H A 13 LYS HGy 1.0 . 4.34 202 180 A 39 LEU H A 38 GLY H 1.0 . 3.19 203 181 A 37 ASN H A 38 GLY H 1.0 . 3.89 204 182 A 14 GLY H A 13 LYS HGx 1.0 . 3.38 205 182 A 13 LYS HGy A 14 GLY H 1.0 . 3.38 206 183 A 49 THR H A 51 THR H 1.0 . 3.57 207 184 A 49 THR H A 49 THR HB 1.0 . 3.85 208 185 A 46 ASP HBy A 49 THR H 1.0 . 4.41 209 186 A 49 THR H A 48 ALA HB% 1.0 . 3.32 210 187 A 49 THR H A 49 THR HG2% 1.0 . 3.22 211 188 A 33 TYR H A 33 TYR HD% 1.0 . 4.46 212 189 A 34 PHE H A 33 TYR H 1.0 . 4.06 213 190 A 30 PHE H A 33 TYR H 1.0 . 5.04 214 191 A 33 TYR H A 30 PHE HA 1.0 . 4.46 215 192 A 33 TYR H A 31 LYS HA 1.0 . 4.49 216 193 A 33 TYR H A 33 TYR HBx 1.0 . 3.45 217 193 A 33 TYR HBy A 33 TYR H 1.0 . 3.45 218 194 A 33 TYR H A 32 GLN HBx 1.0 . 3.88 219 194 A 33 TYR H A 32 GLN HBy 1.0 . 3.88 220 195 A 12 LEU HA A 13 LYS H 1.0 . 3.25 221 196 A 13 LYS H A 12 LEU HG 1.0 . 5.50 222 197 A 13 LYS H A 13 LYS HGx 1.0 . 5.50 223 197 A 13 LYS HGy A 13 LYS H 1.0 . 5.50 224 198 A 13 LYS H A 12 LEU HDx% 1.0 . 4.52 225 198 A 12 LEU HD21 A 13 LYS H 1.0 . 4.52 226 199 A 24 ALA HB% A 24 ALA H 1.0 . 2.47 227 200 A 48 ALA H A 50 LYS H 1.0 . 3.85 228 201 A 49 THR H A 48 ALA H 1.0 . 2.88 229 202 A 46 ASP HA A 48 ALA H 1.0 . 3.46 230 203 A 48 ALA H A 48 ALA HA 1.0 . 2.88 231 204 A 48 ALA H A 47 ASP HBy 1.0 . 3.88 232 205 A 48 ALA H A 47 ASP HBx 1.0 . 3.22 233 206 A 46 ASP HBx A 48 ALA H 1.0 . 4.33 234 207 A 48 ALA H A 48 ALA HB% 1.0 . 2.40 235 208 A 48 ALA H A 49 THR HG2% 1.0 . 4.56 236 209 A 31 LYS H A 30 PHE H 1.0 . 4.37 237 210 A 30 PHE HD% A 30 PHE H 1.0 . 4.66 238 211 A 30 PHE H A 30 PHE HBx 1.0 . 3.99 239 211 A 30 PHE HBy A 30 PHE H 1.0 . 3.99 240 212 A 30 PHE H A 29 VAL HB 1.0 . 4.18 241 213 A 15 GLU H A 16 THR HA 1.0 . 4.87 242 214 A 15 GLU H A 15 GLU HBx 1.0 . 4.00 243 214 A 15 GLU H A 15 GLU HBy 1.0 . 4.00 244 215 A 34 PHE H A 35 ASN H 1.0 . 4.25 245 216 A 37 ASN H A 35 ASN H 1.0 . 4.80 246 217 A 32 GLN HA A 35 ASN H 1.0 . 4.28 247 218 A 35 ASN H A 33 TYR HBx 1.0 . 4.82 248 218 A 33 TYR HBy A 35 ASN H 1.0 . 4.82 249 219 A 35 ASN H A 35 ASN HBx 1.0 . 3.42 250 219 A 35 ASN H A 35 ASN HBy 1.0 . 3.42 251 220 A 22 ASP HA A 23 ALA H 1.0 . 2.80 252 221 A 24 ALA HA A 23 ALA H 1.0 . 5.50 253 222 A 25 THR HB A 23 ALA H 1.0 . 5.50 254 223 A 23 ALA H A 22 ASP HBx 1.0 . 2.69 255 223 A 22 ASP HBy A 23 ALA H 1.0 . 2.69 256 224 A 23 ALA H A 23 ALA HB% 1.0 . 2.73 257 225 A 52 PHE HA A 45 TYR H 1.0 . 5.20 258 226 A 45 TYR H A 44 THR HA 1.0 . 3.19 259 227 A 45 TYR H A 44 THR HB 1.0 . 3.43 260 228 A 45 TYR H A 45 TYR HBy 1.0 . 3.76 261 229 A 45 TYR H A 45 TYR HBx 1.0 . 3.76 262 230 A 45 TYR H A 44 THR HG2% 1.0 . 3.73 263 231 A 37 ASN H A 36 ASP H 1.0 . 4.26 264 232 A 36 ASP H A 36 ASP HBx 1.0 . 3.75 265 232 A 36 ASP HBy A 36 ASP H 1.0 . 3.75 266 233 A 36 ASP H A 35 ASN HBx 1.0 . 3.81 267 233 A 35 ASN HBy A 36 ASP H 1.0 . 3.81 268 234 A 1 MET H1 A 19 GLU HA 1.0 . 4.88 269 235 A 1 MET H1 A 1 MET HGx 1.0 . 4.09 270 235 A 1 MET H1 A 1 MET HGy 1.0 . 4.09 271 236 A 1 MET H1 A 1 MET HBx 1.0 . 3.34 272 236 A 1 MET H1 A 1 MET HBy 1.0 . 3.34 273 237 A 42 GLU H A 56 GLU HA 1.0 . 3.34 274 238 A 54 VAL HGy% A 42 GLU H 1.0 . 5.50 275 239 A 42 GLU H A 54 VAL HGx% 1.0 . 4.74 276 240 A 39 LEU H A 39 LEU HBx 1.0 . 2.47 277 240 A 39 LEU HBy A 39 LEU H 1.0 . 2.47 278 241 A 24 ALA H A 23 ALA H 1.0 . 3.12 279 242 A 26 ALA H A 24 ALA H 1.0 . 4.48 280 243 A 24 ALA H A 22 ASP HA 1.0 . 4.51 281 244 A 24 ALA H A 22 ASP HBx 1.0 . 3.06 282 244 A 22 ASP HBy A 24 ALA H 1.0 . 3.06 283 245 A 54 VAL HGy% A 7 ILE H 1.0 . 5.22 284 246 A 8 ASN H A 55 THR H 1.0 . 5.39 285 247 A 8 ASN H A 54 VAL H 1.0 . 4.31 286 248 A 43 TRP HE1 A 52 PHE HBy 1.0 . 4.58 287 249 A 43 TRP HE1 A 52 PHE HBx 1.0 . 4.58 288 250 A 52 PHE HD% A 30 PHE HE% 1.0 . 3.99 289 251 A 43 TRP HD1 A 43 TRP HA 1.0 . 4.24 290 252 A 7 ILE HD1% A 43 TRP HZ2 1.0 . 4.59 291 253 A 7 ILE HD1% A 43 TRP HH2 1.0 . 4.59 292 254 A 54 VAL HGy% A 43 TRP HZ2 1.0 . 3.13 293 255 A 54 VAL HGx% A 43 TRP HZ2 1.0 . 3.32 294 256 A 54 VAL HGx% A 43 TRP HH2 1.0 . 3.13 295 257 A 2 THR HG2% A 2 THR HA 1.0 . 3.07 296 258 A 17 THR HG2% A 4 LYS HA 1.0 . 3.90 297 259 A 25 THR HA A 25 THR HG2% 1.0 . 3.37 298 260 A 2 THR HG2% A 3 PHE HA 1.0 . 4.55 299 261 A 17 THR HB A 4 LYS HA 1.0 . 4.74 300 262 A 4 LYS HA A 52 PHE HE% 1.0 . 5.01 301 263 A 25 THR HA A 28 LYS HDx 1.0 . 4.63 302 263 A 25 THR HA A 28 LYS HDy 1.0 . 4.63 303 264 A 51 THR HG2% A 4 LYS HDx 1.0 . 4.35 304 264 A 51 THR HG2% A 4 LYS HDy 1.0 . 4.35 305 265 A 17 THR HG2% A 4 LYS HEx 1.0 . 4.77 306 265 A 17 THR HG2% A 4 LYS HEy 1.0 . 4.77 307 266 A 5 ALA HA A 52 PHE HBx 1.0 . 4.60 308 267 A 5 ALA HA A 51 THR HG2% 1.0 . 4.62 309 268 A 5 ALA HB% A 30 PHE HE% 1.0 . 4.55 310 269 A 49 THR HG2% A 49 THR HA 1.0 . 3.29 311 270 A 6 ILE HA A 6 ILE HD1% 1.0 . 3.40 312 271 A 7 ILE HG2% A 6 ILE HA 1.0 . 5.50 313 272 A 7 ILE HG2% A 54 VAL HA 1.0 . 5.50 314 273 A 54 VAL HGy% A 54 VAL HA 1.0 . 3.79 315 274 A 54 VAL HGx% A 54 VAL HA 1.0 . 3.70 316 275 A 33 TYR HD% A 33 TYR HA 1.0 . 4.03 317 276 A 40 ASP HA A 39 LEU HBx 1.0 . 4.47 318 276 A 39 LEU HBy A 40 ASP HA 1.0 . 4.47 319 277 A 7 ILE HA A 54 VAL HGy% 1.0 . 4.14 320 278 A 6 ILE HB A 6 ILE HD1% 1.0 . 4.22 321 279 A 6 ILE HA A 6 ILE HG2% 1.0 . 3.28 322 280 A 55 THR HA A 8 ASN HBy 1.0 . 4.37 323 281 A 55 THR HA A 8 ASN HBx 1.0 . 4.37 324 282 A 10 LYS HA A 10 LYS HEx 1.0 . 4.59 325 282 A 10 LYS HA A 10 LYS HEy 1.0 . 4.59 326 283 A 10 LYS HA A 10 LYS HBx 1.0 . 3.00 327 283 A 10 LYS HBy A 10 LYS HA 1.0 . 3.00 328 284 A 10 LYS HA A 10 LYS HGx 1.0 . 3.48 329 284 A 10 LYS HGy A 10 LYS HA 1.0 . 3.48 330 285 A 28 LYS HBx A 28 LYS HDx 1.0 . 3.32 331 285 A 28 LYS HBy A 28 LYS HDx 1.0 . 3.32 332 285 A 28 LYS HDy A 28 LYS HBx 1.0 . 3.32 333 285 A 28 LYS HBy A 28 LYS HDy 1.0 . 3.32 334 286 A 28 LYS HBy A 28 LYS HEx 1.0 . 4.18 335 286 A 28 LYS HBx A 28 LYS HEx 1.0 . 4.18 336 286 A 28 LYS HEy A 28 LYS HBx 1.0 . 4.18 337 286 A 28 LYS HBy A 28 LYS HEy 1.0 . 4.18 338 287 A 10 LYS HEx A 10 LYS HGx 1.0 . 3.91 339 287 A 10 LYS HEy A 10 LYS HGx 1.0 . 3.91 340 287 A 10 LYS HGy A 10 LYS HEx 1.0 . 3.91 341 287 A 10 LYS HGy A 10 LYS HEy 1.0 . 3.91 342 288 A 11 THR HG1 A 11 THR HA 1.0 . 3.60 343 289 A 12 LEU HA A 12 LEU HDx% 1.0 . 3.74 344 289 A 12 LEU HD21 A 12 LEU HA 1.0 . 3.74 345 290 A 13 LYS HA A 13 LYS HGx 1.0 . 3.57 346 290 A 13 LYS HGy A 13 LYS HA 1.0 . 3.57 347 291 A 8 ASN HA A 13 LYS HGx 1.0 . 4.44 348 291 A 8 ASN HA A 13 LYS HGy 1.0 . 4.44 349 292 A 19 GLU HA A 2 THR HA 1.0 . 3.31 350 293 A 15 GLU HA A 6 ILE HA 1.0 . 3.39 351 294 A 19 GLU HA A 19 GLU HGx 1.0 . 3.44 352 294 A 19 GLU HA A 19 GLU HGy 1.0 . 3.44 353 295 A 2 THR HG2% A 19 GLU HA 1.0 . 4.53 354 296 A 15 GLU HA A 6 ILE HD1% 1.0 . 4.34 355 297 A 18 THR HG2% A 19 GLU HA 1.0 . 4.87 356 298 A 15 GLU HA A 7 ILE HB 1.0 . 5.50 357 299 A 6 ILE HD1% A 15 GLU HBx 1.0 . 4.96 358 299 A 6 ILE HD1% A 15 GLU HBy 1.0 . 4.96 359 300 A 2 THR HA A 19 GLU HGx 1.0 . 4.68 360 300 A 19 GLU HGy A 2 THR HA 1.0 . 4.68 361 301 A 16 THR HG2% A 16 THR HA 1.0 . 3.39 362 302 A 44 THR HG2% A 44 THR HA 1.0 . 3.57 363 303 A 4 LYS HA A 17 THR HA 1.0 . 3.54 364 304 A 17 THR HG2% A 17 THR HA 1.0 . 3.31 365 305 A 18 THR HG2% A 18 THR HA 1.0 . 4.09 366 306 A 18 THR HG2% A 26 ALA H 1.0 . 5.09 367 307 A 18 THR HG2% A 20 ALA HB% 1.0 . 3.89 368 308 A 20 ALA HB% A 25 THR HB 1.0 . 3.78 369 309 A 21 VAL HA A 21 VAL HGx% 1.0 . 2.92 370 309 A 21 VAL HGy% A 21 VAL HA 1.0 . 2.92 371 310 A 22 ASP HA A 22 ASP HBx 1.0 . 2.82 372 310 A 22 ASP HBy A 22 ASP HA 1.0 . 2.82 373 311 A 20 ALA HB% A 26 ALA HA 1.0 . 3.93 374 312 A 26 ALA HA A 29 VAL HB 1.0 . 3.99 375 313 A 48 ALA HB% A 49 THR HG2% 1.0 . 3.55 376 314 A 29 VAL HA A 32 GLN HBx 1.0 . 3.99 377 314 A 29 VAL HA A 32 GLN HBy 1.0 . 3.99 378 315 A 25 THR HA A 28 LYS HBx 1.0 . 4.03 379 315 A 25 THR HA A 28 LYS HBy 1.0 . 4.03 380 316 A 25 THR HB A 21 VAL HGx% 1.0 . 4.58 381 316 A 25 THR HB A 21 VAL HGy% 1.0 . 4.58 382 317 A 26 ALA HB% A 52 PHE HE% 1.0 . 3.97 383 318 A 20 ALA HB% A 26 ALA HB% 1.0 . 3.72 384 319 A 30 PHE HD% A 27 GLU HA 1.0 . 4.50 385 320 A 27 GLU HA A 27 GLU HGx 1.0 . 3.64 386 320 A 27 GLU HGy A 27 GLU HA 1.0 . 3.64 387 321 A 24 ALA HB% A 27 GLU HBy 1.0 . 4.83 388 322 A 24 ALA HB% A 27 GLU HBx 1.0 . 4.83 389 323 A 28 LYS HA A 28 LYS HDx 1.0 . 4.61 390 323 A 28 LYS HDy A 28 LYS HA 1.0 . 4.61 391 324 A 29 VAL HA A 29 VAL HGy% 1.0 . 3.94 392 325 A 29 VAL HA A 29 VAL HGx% 1.0 . 3.94 393 326 A 30 PHE HA A 33 TYR HBx 1.0 . 4.11 394 326 A 33 TYR HBy A 30 PHE HA 1.0 . 4.11 395 327 A 30 PHE HD% A 30 PHE HA 1.0 . 3.67 396 328 A 28 LYS HA A 31 LYS HBx 1.0 . 4.98 397 329 A 28 LYS HA A 31 LYS HBy 1.0 . 4.98 398 330 A 32 GLN HA A 32 GLN HGx 1.0 . 3.88 399 330 A 32 GLN HA A 32 GLN HGy 1.0 . 3.88 400 331 A 32 GLN HA A 34 PHE HBx 1.0 . 4.89 401 331 A 32 GLN HA A 34 PHE HBy 1.0 . 4.89 402 332 A 37 ASN H A 34 PHE HBx 1.0 . 5.50 403 332 A 37 ASN H A 34 PHE HBy 1.0 . 5.50 404 333 A 32 GLN HA A 35 ASN HBx 1.0 . 4.39 405 333 A 32 GLN HA A 35 ASN HBy 1.0 . 4.39 406 334 A 39 LEU HA A 39 LEU HG 1.0 . 4.24 407 335 A 50 LYS HA A 50 LYS HGx 1.0 . 3.70 408 335 A 50 LYS HGy A 50 LYS HA 1.0 . 3.70 409 336 A 43 TRP HE3 A 43 TRP HA 1.0 . 5.35 410 337 A 54 VAL HA A 43 TRP HA 1.0 . 3.55 411 338 A 54 VAL HGx% A 43 TRP HA 1.0 . 4.58 412 339 A 52 PHE HA A 45 TYR HA 1.0 . 3.52 413 340 A 46 ASP HBy A 51 THR HB 1.0 . 4.79 414 341 A 47 ASP HA A 50 LYS HGx 1.0 . 4.34 415 341 A 47 ASP HA A 50 LYS HGy 1.0 . 4.34 416 342 A 48 ALA HB% A 49 THR HA 1.0 . 4.90 417 343 A 48 ALA HB% A 49 THR HB 1.0 . 5.24 418 344 A 51 THR HB A 49 THR HB 1.0 . 4.96 419 345 A 51 THR HB A 49 THR HG2% 1.0 . 4.69 420 346 A 50 LYS HA A 50 LYS HEy 1.0 . 5.50 421 347 A 50 LYS HA A 50 LYS HEx 1.0 . 5.50 422 348 A 52 PHE HD% A 51 THR HA 1.0 . 4.98 423 349 A 51 THR HA A 50 LYS HBy 1.0 . 5.50 424 350 A 51 THR HA A 50 LYS HBx 1.0 . 5.50 425 351 A 51 THR HA A 51 THR HG2% 1.0 . 3.43 426 352 A 51 THR HG2% A 6 ILE HB 1.0 . 3.49 427 353 A 51 THR HG2% A 52 PHE HA 1.0 . 4.91 428 354 A 52 PHE HD% A 52 PHE HA 1.0 . 4.34 429 355 A 6 ILE HB A 53 THR HA 1.0 . 4.56 430 356 A 53 THR HA A 53 THR HG2% 1.0 . 3.44 431 357 A 43 TRP HE3 A 54 VAL HGx% 1.0 . 5.14 432 358 A 55 THR HA A 55 THR HG2% 1.0 . 3.62 433 359 A 5 ALA HA A 52 PHE HBy 1.0 . 4.60 434 360 A 54 VAL HGx% A 43 TRP HZ3 1.0 . 4.91 435 361 A 3 PHE H A 3 PHE HBx 1.0 . 3.43 436 361 A 3 PHE H A 3 PHE HBy 1.0 . 3.43 437 362 A 3 PHE HA A 4 LYS HBy 1.0 . 4.31 438 362 A 3 PHE HA A 4 LYS HBx 1.0 . 4.31 439 363 A 4 LYS H A 3 PHE HBx 1.0 . 3.61 440 363 A 4 LYS H A 3 PHE HBy 1.0 . 3.61 441 364 A 18 THR HG2% A 3 PHE HBx 1.0 . 5.16 442 364 A 18 THR HG2% A 3 PHE HBy 1.0 . 5.16 443 365 A 4 LYS H A 4 LYS HBy 1.0 . 3.15 444 365 A 4 LYS H A 4 LYS HBx 1.0 . 3.15 445 366 A 4 LYS HBy A 4 LYS HEx 1.0 . 4.32 446 366 A 4 LYS HBx A 4 LYS HEx 1.0 . 4.32 447 366 A 4 LYS HEy A 4 LYS HBy 1.0 . 4.32 448 366 A 4 LYS HEy A 4 LYS HBx 1.0 . 4.32 449 367 A 17 THR HA A 4 LYS HBy 1.0 . 4.87 450 367 A 17 THR HA A 4 LYS HBx 1.0 . 4.87 451 368 A 17 THR HG2% A 4 LYS HBy 1.0 . 3.51 452 368 A 17 THR HG2% A 4 LYS HBx 1.0 . 3.51 453 369 A 51 THR HA A 4 LYS HBy 1.0 . 4.59 454 369 A 51 THR HA A 4 LYS HBx 1.0 . 4.59 455 370 A 5 ALA H A 4 LYS HGy 1.0 . 4.23 456 370 A 5 ALA H A 4 LYS HGx 1.0 . 4.23 457 371 A 51 THR HA A 4 LYS HGy 1.0 . 5.15 458 371 A 51 THR HA A 4 LYS HGx 1.0 . 5.15 459 372 A 5 ALA HA A 52 PHE HBx 1.0 . 3.73 460 372 A 5 ALA HA A 52 PHE HBy 1.0 . 3.73 461 373 A 5 ALA HB% A 7 ILE HG1y 1.0 . 4.39 462 373 A 5 ALA HB% A 7 ILE HG1x 1.0 . 4.39 463 374 A 5 ALA HB% A 52 PHE HBx 1.0 . 4.22 464 374 A 5 ALA HB% A 52 PHE HBy 1.0 . 4.22 465 375 A 6 ILE HA A 6 ILE HG1y 1.0 . 3.70 466 375 A 6 ILE HA A 6 ILE HG1x 1.0 . 3.70 467 376 A 7 ILE H A 6 ILE HG1y 1.0 . 3.66 468 376 A 7 ILE H A 6 ILE HG1x 1.0 . 3.66 469 377 A 15 GLU HA A 6 ILE HG1y 1.0 . 4.53 470 377 A 15 GLU HA A 6 ILE HG1x 1.0 . 4.53 471 378 A 51 THR HG2% A 6 ILE HG1y 1.0 . 4.42 472 378 A 51 THR HG2% A 6 ILE HG1x 1.0 . 4.42 473 379 A 7 ILE HA A 7 ILE HG1y 1.0 . 3.49 474 379 A 7 ILE HA A 7 ILE HG1x 1.0 . 3.49 475 380 A 15 GLU H A 7 ILE HG1y 1.0 . 5.34 476 380 A 15 GLU H A 7 ILE HG1x 1.0 . 5.34 477 381 A 16 THR H A 7 ILE HG1y 1.0 . 4.41 478 381 A 16 THR H A 7 ILE HG1x 1.0 . 4.41 479 382 A 8 ASN H A 8 ASN HBx 1.0 . 3.41 480 382 A 8 ASN H A 8 ASN HBy 1.0 . 3.41 481 383 A 8 ASN HA A 13 LYS HBy 1.0 . 4.44 482 383 A 8 ASN HA A 13 LYS HBx 1.0 . 4.44 483 384 A 55 THR HA A 8 ASN HBx 1.0 . 3.79 484 384 A 55 THR HA A 8 ASN HBy 1.0 . 3.79 485 385 A 55 THR HG2% A 8 ASN HBx 1.0 . 4.03 486 385 A 55 THR HG2% A 8 ASN HBy 1.0 . 4.03 487 386 A 12 LEU H A 12 LEU HBy 1.0 . 3.22 488 386 A 12 LEU H A 12 LEU HBx 1.0 . 3.22 489 387 A 13 LYS H A 13 LYS HDy 1.0 . 4.11 490 387 A 13 LYS H A 13 LYS HDx 1.0 . 4.11 491 388 A 13 LYS HA A 13 LYS HDy 1.0 . 4.63 492 388 A 13 LYS HA A 13 LYS HDx 1.0 . 4.63 493 389 A 15 GLU H A 14 GLY HAy 1.0 . 2.87 494 389 A 15 GLU H A 14 GLY HAx 1.0 . 2.87 495 390 A 24 ALA H A 27 GLU HBx 1.0 . 5.05 496 390 A 24 ALA H A 27 GLU HBy 1.0 . 5.05 497 391 A 24 ALA HA A 27 GLU HBx 1.0 . 3.95 498 391 A 24 ALA HA A 27 GLU HBy 1.0 . 3.95 499 392 A 24 ALA HB% A 27 GLU HBx 1.0 . 4.02 500 392 A 24 ALA HB% A 27 GLU HBy 1.0 . 4.02 501 393 A 26 ALA H A 27 GLU HBx 1.0 . 4.26 502 393 A 26 ALA H A 27 GLU HBy 1.0 . 4.26 503 394 A 27 GLU H A 27 GLU HBx 1.0 . 2.83 504 394 A 27 GLU H A 27 GLU HBy 1.0 . 2.83 505 395 A 28 LYS H A 28 LYS HGy 1.0 . 3.14 506 395 A 28 LYS H A 28 LYS HGx 1.0 . 3.14 507 396 A 28 LYS H A 29 VAL HGy% 1.0 . 4.40 508 396 A 28 LYS H A 29 VAL HGx% 1.0 . 4.40 509 397 A 28 LYS HA A 28 LYS HGy 1.0 . 3.62 510 397 A 28 LYS HA A 28 LYS HGx 1.0 . 3.62 511 398 A 28 LYS HA A 31 LYS HBx 1.0 . 4.14 512 398 A 28 LYS HA A 31 LYS HBy 1.0 . 4.14 513 399 A 28 LYS HBx A 31 LYS HGy 1.0 . 4.62 514 399 A 28 LYS HBy A 31 LYS HGy 1.0 . 4.62 515 399 A 31 LYS HGx A 28 LYS HBx 1.0 . 4.62 516 399 A 28 LYS HBy A 31 LYS HGx 1.0 . 4.62 517 400 A 28 LYS HEy A 28 LYS HGy 1.0 . 3.60 518 400 A 28 LYS HEx A 28 LYS HGy 1.0 . 3.60 519 400 A 28 LYS HGx A 28 LYS HEx 1.0 . 3.60 520 400 A 28 LYS HEy A 28 LYS HGx 1.0 . 3.60 521 401 A 29 VAL H A 29 VAL HGy% 1.0 . 2.97 522 401 A 29 VAL H A 29 VAL HGx% 1.0 . 2.97 523 402 A 29 VAL HA A 29 VAL HGy% 1.0 . 3.08 524 402 A 29 VAL HA A 29 VAL HGx% 1.0 . 3.08 525 403 A 33 TYR HE% A 29 VAL HGy% 1.0 . 3.82 526 403 A 29 VAL HGx% A 33 TYR HE% 1.0 . 3.82 527 404 A 30 PHE HE% A 52 PHE HBx 1.0 . 4.22 528 404 A 30 PHE HE% A 52 PHE HBy 1.0 . 4.22 529 405 A 31 LYS H A 31 LYS HBx 1.0 . 3.47 530 405 A 31 LYS H A 31 LYS HBy 1.0 . 3.47 531 406 A 32 GLN H A 31 LYS HBx 1.0 . 3.97 532 406 A 32 GLN H A 31 LYS HBy 1.0 . 3.97 533 407 A 33 TYR H A 31 LYS HGy 1.0 . 5.34 534 407 A 33 TYR H A 31 LYS HGx 1.0 . 5.34 535 408 A 37 ASN H A 37 ASN HD2y 1.0 . 4.68 536 408 A 37 ASN H A 37 ASN HD2x 1.0 . 4.68 537 409 A 42 GLU H A 41 GLY HAy 1.0 . 3.08 538 409 A 42 GLU H A 41 GLY HAx 1.0 . 3.08 539 410 A 56 GLU H A 41 GLY HAy 1.0 . 4.77 540 410 A 56 GLU H A 41 GLY HAx 1.0 . 4.77 541 411 A 56 GLU HA A 41 GLY HAy 1.0 . 3.94 542 411 A 56 GLU HA A 41 GLY HAx 1.0 . 3.94 543 412 A 42 GLU H A 42 GLU HGy 1.0 . 3.13 544 412 A 42 GLU H A 42 GLU HGx 1.0 . 3.13 545 413 A 43 TRP H A 43 TRP HBy 1.0 . 3.16 546 413 A 43 TRP H A 43 TRP HBx 1.0 . 3.16 547 414 A 44 THR H A 43 TRP HBy 1.0 . 3.69 548 414 A 44 THR H A 43 TRP HBx 1.0 . 3.69 549 415 A 43 TRP HE1 A 52 PHE HBx 1.0 . 3.96 550 415 A 43 TRP HE1 A 52 PHE HBy 1.0 . 3.96 551 416 A 45 TYR H A 45 TYR HBx 1.0 . 3.18 552 416 A 45 TYR H A 45 TYR HBy 1.0 . 3.18 553 417 A 46 ASP H A 45 TYR HBx 1.0 . 4.34 554 417 A 46 ASP H A 45 TYR HBy 1.0 . 4.34 555 418 A 50 LYS H A 50 LYS HDy 1.0 . 3.56 556 418 A 50 LYS H A 50 LYS HDx 1.0 . 3.56 557 419 A 50 LYS H A 50 LYS HEx 1.0 . 5.14 558 419 A 50 LYS H A 50 LYS HEy 1.0 . 5.14 559 420 A 50 LYS HA A 50 LYS HDy 1.0 . 3.77 560 420 A 50 LYS HA A 50 LYS HDx 1.0 . 3.77 561 421 A 52 PHE H A 52 PHE HBx 1.0 . 3.61 562 421 A 52 PHE H A 52 PHE HBy 1.0 . 3.61 563 422 A 53 THR H A 52 PHE HBx 1.0 . 3.94 564 422 A 53 THR H A 52 PHE HBy 1.0 . 3.94 565 423 A 56 GLU H A 56 GLU HGy 1.0 . 4.47 566 423 A 56 GLU H A 56 GLU HGx 1.0 . 4.47 567 424 A 56 GLU HA A 56 GLU HGy 1.0 . 3.58 568 424 A 56 GLU HA A 56 GLU HGx 1.0 . 3.58 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 N A 1 MET CA A 1 MET C A 2 THR N 1.0 114.7 179.7 PSI 2 2 A 1 MET C A 2 THR N A 2 THR CA A 2 THR C 1.0 -131.0 -51.6 PHI 3 3 A 2 THR N A 2 THR CA A 2 THR C A 3 PHE N 1.0 93.3 171.3 PSI 4 4 A 2 THR C A 3 PHE N A 3 PHE CA A 3 PHE C 1.0 -146.8 -103.9 PHI 5 5 A 3 PHE N A 3 PHE CA A 3 PHE C A 4 LYS N 1.0 131.0 171.0 PSI 6 6 A 3 PHE C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -150.6 -93.6 PHI 7 7 A 4 LYS N A 4 LYS CA A 4 LYS C A 5 ALA N 1.0 107.1 161.3 PSI 8 8 A 4 LYS C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -141.2 -82.6 PHI 9 9 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 ILE N 1.0 88.0 152.3 PSI 10 10 A 5 ALA C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -141.9 -73.2 PHI 11 11 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 ILE N 1.0 106.7 146.7 PSI 12 12 A 6 ILE C A 7 ILE N A 7 ILE CA A 7 ILE C 1.0 -147.6 -58.0 PHI 13 13 A 7 ILE N A 7 ILE CA A 7 ILE C A 8 ASN N 1.0 85.3 148.2 PSI 14 14 A 7 ILE C A 8 ASN N A 8 ASN CA A 8 ASN C 1.0 -150.9 -53.1 PHI 15 15 A 8 ASN N A 8 ASN CA A 8 ASN C A 9 GLY N 1.0 74.9 158.4 PSI 16 16 A 9 GLY C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -96.4 -40.8 PHI 17 17 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 THR N 1.0 -59.9 10.0 PSI 18 18 A 10 LYS C A 11 THR N A 11 THR CA A 11 THR C 1.0 -140.1 -64.7 PHI 19 19 A 11 THR N A 11 THR CA A 11 THR C A 12 LEU N 1.0 -52.3 27.3 PSI 20 20 A 12 LEU C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -164.2 -80.0 PHI 21 21 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 GLY N 1.0 125.8 173.6 PSI 22 22 A 14 GLY C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -177.8 -76.2 PHI 23 23 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 THR N 1.0 114.9 172.9 PSI 24 24 A 15 GLU C A 16 THR N A 16 THR CA A 16 THR C 1.0 -176.6 -88.2 PHI 25 25 A 16 THR N A 16 THR CA A 16 THR C A 17 THR N 1.0 114.7 209.8 PSI 26 26 A 16 THR C A 17 THR N A 17 THR CA A 17 THR C 1.0 -151.6 -107.4 PHI 27 27 A 17 THR N A 17 THR CA A 17 THR C A 18 THR N 1.0 134.7 174.7 PSI 28 28 A 17 THR C A 18 THR N A 18 THR CA A 18 THR C 1.0 -172.0 -70.9 PHI 29 29 A 18 THR N A 18 THR CA A 18 THR C A 19 GLU N 1.0 81.9 180.8 PSI 30 30 A 18 THR C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -135.4 -68.7 PHI 31 31 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 ALA N 1.0 101.8 146.2 PSI 32 32 A 20 ALA C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -125.9 -39.2 PHI 33 33 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 ASP N 1.0 -53.6 17.2 PSI 34 34 A 22 ASP C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -83.3 -34.0 PHI 35 35 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 ALA N 1.0 -69.0 -15.1 PSI 36 36 A 23 ALA C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -85.9 -45.9 PHI 37 37 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 THR N 1.0 -57.3 -11.7 PSI 38 38 A 24 ALA C A 25 THR N A 25 THR CA A 25 THR C 1.0 -89.1 -49.1 PHI 39 39 A 25 THR N A 25 THR CA A 25 THR C A 26 ALA N 1.0 -61.6 -21.6 PSI 40 40 A 25 THR C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -81.0 -41.0 PHI 41 41 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 GLU N 1.0 -63.6 -23.6 PSI 42 42 A 26 ALA C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -82.4 -42.4 PHI 43 43 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 LYS N 1.0 -66.1 -26.1 PSI 44 44 A 27 GLU C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -82.1 -42.1 PHI 45 45 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 VAL N 1.0 -59.7 -19.7 PSI 46 46 A 28 LYS C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -85.0 -45.0 PHI 47 47 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 PHE N 1.0 -63.7 -23.7 PSI 48 48 A 29 VAL C A 30 PHE N A 30 PHE CA A 30 PHE C 1.0 -89.8 -49.8 PHI 49 49 A 30 PHE N A 30 PHE CA A 30 PHE C A 31 LYS N 1.0 -57.8 -17.8 PSI 50 50 A 30 PHE C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -83.0 -43.0 PHI 51 51 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 GLN N 1.0 -58.5 -18.5 PSI 52 52 A 31 LYS C A 32 GLN N A 32 GLN CA A 32 GLN C 1.0 -87.4 -47.4 PHI 53 53 A 32 GLN N A 32 GLN CA A 32 GLN C A 33 TYR N 1.0 -58.3 -18.3 PSI 54 54 A 32 GLN C A 33 TYR N A 33 TYR CA A 33 TYR C 1.0 -84.5 -44.5 PHI 55 55 A 33 TYR N A 33 TYR CA A 33 TYR C A 34 PHE N 1.0 -63.7 -23.7 PSI 56 56 A 33 TYR C A 34 PHE N A 34 PHE CA A 34 PHE C 1.0 -83.4 -43.4 PHI 57 57 A 34 PHE N A 34 PHE CA A 34 PHE C A 35 ASN N 1.0 -60.2 -20.2 PSI 58 58 A 34 PHE C A 35 ASN N A 35 ASN CA A 35 ASN C 1.0 -83.9 -43.9 PHI 59 59 A 35 ASN N A 35 ASN CA A 35 ASN C A 36 ASP N 1.0 -61.0 -21.0 PSI 60 60 A 35 ASN C A 36 ASP N A 36 ASP CA A 36 ASP C 1.0 -83.0 -43.0 PHI 61 61 A 36 ASP N A 36 ASP CA A 36 ASP C A 37 ASN N 1.0 -47.3 -7.3 PSI 62 62 A 36 ASP C A 37 ASN N A 37 ASN CA A 37 ASN C 1.0 -116.2 -69.8 PHI 63 63 A 37 ASN N A 37 ASN CA A 37 ASN C A 38 GLY N 1.0 -20.8 19.2 PSI 64 64 A 37 ASN C A 38 GLY N A 38 GLY CA A 38 GLY C 1.0 59.5 99.5 PHI 65 65 A 38 GLY N A 38 GLY CA A 38 GLY C A 39 LEU N 1.0 -7.6 39.4 PSI 66 66 A 38 GLY C A 39 LEU N A 39 LEU CA A 39 LEU C 1.0 -123.4 -66.3 PHI 67 67 A 39 LEU N A 39 LEU CA A 39 LEU C A 40 ASP N 1.0 116.2 173.2 PSI 68 68 A 41 GLY C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -152.9 -28.0 PHI 69 69 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 TRP N 1.0 92.7 178.0 PSI 70 70 A 42 GLU C A 43 TRP N A 43 TRP CA A 43 TRP C 1.0 -129.0 -46.6 PHI 71 71 A 43 TRP N A 43 TRP CA A 43 TRP C A 44 THR N 1.0 110.1 162.2 PSI 72 72 A 43 TRP C A 44 THR N A 44 THR CA A 44 THR C 1.0 -162.9 -84.5 PHI 73 73 A 44 THR N A 44 THR CA A 44 THR C A 45 TYR N 1.0 130.0 170.0 PSI 74 74 A 44 THR C A 45 TYR N A 45 TYR CA A 45 TYR C 1.0 -160.9 -84.1 PHI 75 75 A 45 TYR N A 45 TYR CA A 45 TYR C A 46 ASP N 1.0 98.8 164.8 PSI 76 76 A 45 TYR C A 46 ASP N A 46 ASP CA A 46 ASP C 1.0 -156.3 -72.2 PHI 77 77 A 46 ASP N A 46 ASP CA A 46 ASP C A 47 ASP N 1.0 55.7 183.9 PSI 78 78 A 46 ASP C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -83.3 -43.3 PHI 79 79 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 ALA N 1.0 -50.7 -6.0 PSI 80 80 A 47 ASP C A 48 ALA N A 48 ALA CA A 48 ALA C 1.0 -103.6 -46.6 PHI 81 81 A 48 ALA N A 48 ALA CA A 48 ALA C A 49 THR N 1.0 -64.1 -3.5 PSI 82 82 A 48 ALA C A 49 THR N A 49 THR CA A 49 THR C 1.0 -142.1 -80.8 PHI 83 83 A 49 THR N A 49 THR CA A 49 THR C A 50 LYS N 1.0 -19.3 21.9 PSI 84 84 A 49 THR C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 43.3 86.7 PHI 85 85 A 50 LYS N A 50 LYS CA A 50 LYS C A 51 THR N 1.0 3.5 63.1 PSI 86 86 A 50 LYS C A 51 THR N A 51 THR CA A 51 THR C 1.0 -146.7 -59.3 PHI 87 87 A 51 THR N A 51 THR CA A 51 THR C A 52 PHE N 1.0 109.0 149.0 PSI 88 88 A 51 THR C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -150.4 -84.2 PHI 89 89 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 THR N 1.0 104.6 145.9 PSI 90 90 A 52 PHE C A 53 THR N A 53 THR CA A 53 THR C 1.0 -134.5 -94.5 PHI 91 91 A 53 THR N A 53 THR CA A 53 THR C A 54 VAL N 1.0 101.3 141.3 PSI 92 92 A 53 THR C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -134.5 -85.1 PHI 93 93 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 THR N 1.0 102.6 146.4 PSI 94 94 A 54 VAL C A 55 THR N A 55 THR CA A 55 THR C 1.0 -157.1 -68.6 PHI 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.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 16.014617216 aliased 2 ppm 15N 34.997730341 aliased 3 ppm 1H 16.014617216 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.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 14.019506193 aliased 2 ppm 13C 40.291186258 aliased 3 ppm 1H 14.019506193 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.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 14.019506193 aliased 2 ppm 13C 70.014740325 aliased 3 ppm 1H 14.019506193 aliased stop_ save_