data_nef_c18832_2m0y save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_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 ARG middle . . 4 A 4 TRP middle . . 5 A 5 VAL middle . . 6 A 6 PRO middle . false 7 A 7 THR middle . . 8 A 8 LYS middle . . 9 A 9 ARG middle . . 10 A 10 GLU middle . . 11 A 11 GLU middle . . 12 A 12 LYS middle . . 13 A 13 TYR middle . . 14 A 14 GLY middle . false 15 A 15 VAL middle . . 16 A 16 ALA middle . . 17 A 17 PHE middle . . 18 A 18 TYR middle . . 19 A 19 ASN middle . . 20 A 20 TYR middle . . 21 A 21 ASP middle . . 22 A 22 ALA middle . . 23 A 23 ARG middle . . 24 A 24 GLY middle . false 25 A 25 ALA middle . . 26 A 26 ASP middle . . 27 A 27 GLU middle . . 28 A 28 LEU middle . . 29 A 29 SER middle . . 30 A 30 LEU middle . . 31 A 31 GLN middle . . 32 A 32 ILE middle . . 33 A 33 GLY middle . false 34 A 34 ASP middle . . 35 A 35 THR middle . . 36 A 36 VAL middle . . 37 A 37 HIS middle . . 38 A 38 ILE middle . . 39 A 39 LEU middle . . 40 A 40 GLU middle . . 41 A 41 THR middle . . 42 A 42 TYR middle . . 43 A 43 GLU middle . . 44 A 44 GLY middle . false 45 A 45 TRP middle . . 46 A 46 TYR middle . . 47 A 47 ARG middle . . 48 A 48 GLY middle . false 49 A 49 TYR middle . . 50 A 50 THR middle . . 51 A 51 LEU middle . . 52 A 52 ARG middle . . 53 A 53 LYS middle . . 54 A 54 LYS middle . . 55 A 55 SER middle . . 56 A 56 LYS middle . . 57 A 57 LYS middle . . 58 A 58 GLY middle . false 59 A 59 ILE middle . . 60 A 60 PHE middle . . 61 A 61 PRO middle . false 62 A 62 ALA middle . . 63 A 63 SER middle . . 64 A 64 TYR middle . . 65 A 65 ILE middle . . 66 A 66 HIS middle . . 67 A 67 LEU middle . . 68 A 68 LYS middle . . 69 A 69 GLU middle . . 70 A 70 ALA middle . . 71 A 71 ILE middle . . 72 A 72 VAL middle . . 73 A 73 GLU middle . . 74 A 74 GLY end . false stop_ save_ save_assigned_chem_shif _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shif 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 HE% H 1 1.9900 . A 1 MET CE C 13 16.4600 . A 2 THR H H 1 8.1500 . A 2 THR HA H 1 4.1200 . A 2 THR HB H 1 3.9800 . A 2 THR HG2% H 1 0.9660 . A 2 THR CA C 13 62.1000 . A 2 THR CB C 13 69.4400 . A 2 THR CG2 C 13 21.4900 . A 2 THR N N 15 116.4000 . A 3 ARG HA H 1 4.3100 . A 3 ARG HBx H 1 1.5800 . A 3 ARG HBy H 1 1.6200 . A 3 ARG HDx H 1 3.0600 . A 3 ARG HDy H 1 3.0600 . A 3 ARG HGx H 1 1.4100 . A 3 ARG HGy H 1 1.4100 . A 3 ARG CA C 13 55.7500 . A 3 ARG CB C 13 30.6200 . A 3 ARG CD C 13 43.1700 . A 3 ARG CG C 13 26.9000 . A 4 TRP H H 1 8.1080 . A 4 TRP HA H 1 4.4800 . A 4 TRP HBx H 1 2.9500 . A 4 TRP HBy H 1 3.0300 . A 4 TRP HD1 H 1 7.11 . A 4 TRP HE1 H 1 10.0 . A 4 TRP HE3 H 1 7.2700 . A 4 TRP HH2 H 1 6.9170 . A 4 TRP HZ2 H 1 7.2620 . A 4 TRP HZ3 H 1 6.8660 . A 4 TRP CA C 13 57.5600 . A 4 TRP CB C 13 29.4900 . A 4 TRP N N 15 123.3000 . A 4 TRP NE1 N 15 129.22 . A 5 VAL HA H 1 4.5700 . A 5 VAL HB H 1 2.0700 . A 5 VAL HGx% H 1 0.9100 . A 5 VAL HGy% H 1 0.9600 . A 5 VAL CB C 13 30.8400 . A 5 VAL CGx C 13 20.1800 . A 5 VAL CGy C 13 20.9300 . A 6 PRO HA H 1 4.8100 . A 6 PRO HBy H 1 2.3300 . A 6 PRO HBx H 1 1.8900 . A 6 PRO HDx H 1 3.6700 . A 6 PRO HDy H 1 3.6700 . A 6 PRO HGx H 1 2.0100 . A 6 PRO HGy H 1 2.0600 . A 6 PRO CB C 13 32.2100 . A 6 PRO CD C 13 50.7600 . A 6 PRO CG C 13 27.6400 . A 7 THR HA H 1 4.2700 . A 7 THR HB H 1 4.2300 . A 7 THR HG2% H 1 1.1200 . A 7 THR CA C 13 60.8900 . A 7 THR CB C 13 70.1400 . A 7 THR CG2 C 13 23.0600 . A 8 LYS HA H 1 4.4400 . A 8 LYS HBx H 1 1.5500 . A 8 LYS HBy H 1 1.5500 . A 8 LYS HDx H 1 1.4900 . A 8 LYS HDy H 1 1.5900 . A 8 LYS HEx H 1 2.7700 . A 8 LYS HEy H 1 2.8500 . A 8 LYS HGx H 1 1.2100 . A 8 LYS HGy H 1 1.2800 . A 8 LYS CA C 13 55.9800 . A 8 LYS CB C 13 35.0500 . A 8 LYS CD C 13 29.1300 . A 8 LYS CE C 13 41.9200 . A 8 LYS CG C 13 24.6500 . A 10 GLU HA H 1 4.5800 . A 10 GLU HBx H 1 1.8600 . A 10 GLU HBy H 1 2.0300 . A 10 GLU HGx H 1 2.3000 . A 10 GLU HGy H 1 2.3000 . A 10 GLU CA C 13 55.5700 . A 10 GLU CB C 13 30.7800 . A 10 GLU CG C 13 36.7400 . A 11 GLU H H 1 8.2710 . A 11 GLU HA H 1 4.3400 . A 11 GLU HBx H 1 1.9600 . A 11 GLU HBy H 1 2.0700 . A 11 GLU HGx H 1 2.2600 . A 11 GLU HGy H 1 2.2600 . A 11 GLU CA C 13 57.1400 . A 11 GLU CB C 13 29.4000 . A 11 GLU CG C 13 36.5000 . A 11 GLU N N 15 122.5000 . A 12 LYS HA H 1 4.3800 . A 12 LYS HBx H 1 1.7100 . A 12 LYS HBy H 1 1.9900 . A 12 LYS HDx H 1 1.7000 . A 12 LYS HDy H 1 1.7000 . A 12 LYS HEx H 1 2.9800 . A 12 LYS HEy H 1 2.9800 . A 12 LYS HGx H 1 1.4700 . A 12 LYS HGy H 1 1.4700 . A 12 LYS CA C 13 55.7900 . A 12 LYS CB C 13 33.6000 . A 12 LYS CD C 13 29.1300 . A 12 LYS CE C 13 41.9200 . A 12 LYS CG C 13 25.4000 . A 13 TYR HA H 1 5.5600 . A 13 TYR HBx H 1 2.7400 . A 13 TYR HBy H 1 2.8900 . A 13 TYR HDx H 1 7.0110 . A 13 TYR HDy H 1 7.0110 . A 13 TYR HEx H 1 6.5560 . A 13 TYR HEy H 1 6.5560 . A 13 TYR CA C 13 55.8600 . A 13 TYR CB C 13 42.4400 . A 14 GLY H H 1 8.4010 . A 14 GLY HAx H 1 3.5660 . A 14 GLY HAy H 1 4.7990 . A 14 GLY CA C 13 45.2400 . A 14 GLY N N 15 105.3200 . A 15 VAL H H 1 8.8510 . A 15 VAL HA H 1 5.3410 . A 15 VAL HB H 1 1.9570 . A 15 VAL HGx% H 1 0.9500 . A 15 VAL HGy% H 1 0.9800 . A 15 VAL CA C 13 59.2100 . A 15 VAL CB C 13 35.7400 . A 15 VAL CGx C 13 20.6400 . A 15 VAL CGy C 13 21.3800 . A 15 VAL N N 15 118.9000 . A 16 ALA H H 1 9.1130 . A 16 ALA HA H 1 5.0000 . A 16 ALA HB% H 1 1.4800 . A 16 ALA CA C 13 52.0000 . A 16 ALA CB C 13 19.3300 . A 16 ALA N N 15 129.4600 . A 17 PHE H H 1 8.7870 . A 17 PHE HA H 1 4.8010 . A 17 PHE HBx H 1 2.4300 . A 17 PHE HBy H 1 2.8900 . A 17 PHE HDx H 1 6.6600 . A 17 PHE HDy H 1 6.6600 . A 17 PHE HEx H 1 6.9870 . A 17 PHE HEy H 1 6.9870 . A 17 PHE HZ H 1 7.1540 . A 17 PHE CA C 13 56.2300 . A 17 PHE CB C 13 40.0000 . A 17 PHE N N 15 124.0700 . A 18 TYR H H 1 7.2810 . A 18 TYR HA H 1 4.4830 . A 18 TYR HBx H 1 2.2270 . A 18 TYR HBy H 1 2.7730 . A 18 TYR HDx H 1 6.7500 . A 18 TYR HDy H 1 6.7500 . A 18 TYR HEx H 1 6.7670 . A 18 TYR HEy H 1 6.7670 . A 18 TYR CA C 13 55.3000 . A 18 TYR CB C 13 42.8100 . A 18 TYR N N 15 118.2100 . A 19 ASN H H 1 8.1340 . A 19 ASN HA H 1 4.7100 . A 19 ASN HBx H 1 2.6400 . A 19 ASN HBy H 1 2.7680 . A 19 ASN CA C 13 52.9400 . A 19 ASN CB C 13 39.0600 . A 19 ASN N N 15 116.8000 . A 20 TYR H H 1 8.9930 . A 20 TYR HA H 1 4.6870 . A 20 TYR HBx H 1 2.5320 . A 20 TYR HBy H 1 2.7620 . A 20 TYR HDx H 1 7.1190 . A 20 TYR HDy H 1 7.1190 . A 20 TYR HEx H 1 6.9290 . A 20 TYR HEy H 1 6.9290 . A 20 TYR CA C 13 57.7200 . A 20 TYR CB C 13 42.2500 . A 20 TYR N N 15 122.1900 . A 21 ASP H H 1 7.8380 . A 21 ASP HA H 1 4.7900 . A 21 ASP HBx H 1 2.2470 . A 21 ASP HBy H 1 2.3700 . A 21 ASP CA C 13 52.3700 . A 21 ASP CB C 13 41.1300 . A 21 ASP N N 15 128.5200 . A 22 ALA H H 1 8.1030 . A 22 ALA HA H 1 4.0510 . A 22 ALA HB% H 1 1.3490 . A 22 ALA CA C 13 52.9400 . A 22 ALA CB C 13 20.4500 . A 22 ALA N N 15 125.2400 . A 23 ARG H H 1 8.8870 . A 23 ARG HA H 1 4.3460 . A 23 ARG HBx H 1 2.0100 . A 23 ARG HBy H 1 2.0100 . A 23 ARG HDx H 1 3.3300 . A 23 ARG HDy H 1 3.3300 . A 23 ARG HGx H 1 1.6700 . A 23 ARG HGy H 1 1.6700 . A 23 ARG CA C 13 55.4900 . A 23 ARG CB C 13 30.7000 . A 23 ARG CD C 13 43.3700 . A 23 ARG CG C 13 26.9700 . A 23 ARG N N 15 122.1900 . A 24 GLY H H 1 7.2580 . A 24 GLY HAx H 1 4.0100 . A 24 GLY HAy H 1 4.1710 . A 24 GLY CA C 13 44.5000 . A 24 GLY N N 15 105.3200 . A 25 ALA H H 1 8.6270 . A 25 ALA HA H 1 4.1660 . A 25 ALA HB% H 1 1.4430 . A 25 ALA CA C 13 54.4400 . A 25 ALA CB C 13 18.7700 . A 25 ALA N N 15 122.1900 . A 26 ASP H H 1 8.9550 . A 26 ASP HA H 1 4.7000 . A 26 ASP HBx H 1 2.6600 . A 26 ASP HBy H 1 2.7000 . A 26 ASP CA C 13 53.8700 . A 26 ASP CB C 13 40.3900 . A 26 ASP N N 15 114.6900 . A 27 GLU H H 1 7.5370 . A 27 GLU HA H 1 5.2020 . A 27 GLU HBx H 1 2.2100 . A 27 GLU HBy H 1 2.6730 . A 27 GLU HGx H 1 2.2300 . A 27 GLU HGy H 1 2.2300 . A 27 GLU CA C 13 54.9300 . A 27 GLU CB C 13 32.8800 . A 27 GLU CG C 13 36.2900 . A 27 GLU N N 15 118.9100 . A 28 LEU H H 1 8.8900 . A 28 LEU HA H 1 4.7560 . A 28 LEU HBx H 1 1.3500 . A 28 LEU HBy H 1 1.7100 . A 28 LEU HDx% H 1 0.8880 . A 28 LEU HDy% H 1 1.0500 . A 28 LEU HG H 1 1.6300 . A 28 LEU CA C 13 53.1200 . A 28 LEU CB C 13 44.5000 . A 28 LEU CDx C 13 23.8000 . A 28 LEU CDy C 13 25.4800 . A 28 LEU CG C 13 26.7900 . A 28 LEU N N 15 121.4900 . A 29 SER H H 1 7.9480 . A 29 SER HA H 1 5.0090 . A 29 SER HBx H 1 3.8280 . A 29 SER HBy H 1 4.1750 . A 29 SER CA C 13 58.4700 . A 29 SER CB C 13 63.6900 . A 29 SER N N 15 115.8700 . A 30 LEU H H 1 9.5000 . A 30 LEU HA H 1 4.7760 . A 30 LEU HBx H 1 1.1740 . A 30 LEU HBy H 1 1.7700 . A 30 LEU HDx% H 1 0.2820 . A 30 LEU HDy% H 1 0.6200 . A 30 LEU HG H 1 1.6230 . A 30 LEU CA C 13 52.9400 . A 30 LEU CB C 13 46.3700 . A 30 LEU CDx C 13 22.6900 . A 30 LEU CDy C 13 26.0400 . A 30 LEU CG C 13 26.0400 . A 30 LEU N N 15 121.2600 . A 31 GLN H H 1 9.1470 . A 31 GLN HA H 1 5.0650 . A 31 GLN HBx H 1 1.8300 . A 31 GLN HBy H 1 1.9500 . A 31 GLN HGx H 1 2.2910 . A 31 GLN HGy H 1 2.2910 . A 31 GLN CA C 13 52.9400 . A 31 GLN CB C 13 31.1900 . A 31 GLN CG C 13 34.0000 . A 31 GLN N N 15 123.1300 . A 32 ILE H H 1 8.0160 . A 32 ILE HA H 1 3.0320 . A 32 ILE HB H 1 1.4700 . A 32 ILE HD1% H 1 0.8600 . A 32 ILE HG1x H 1 0.4590 . A 32 ILE HG1y H 1 1.4300 . A 32 ILE HG2% H 1 0.7890 . A 32 ILE CA C 13 64.2500 . A 32 ILE CB C 13 37.9400 . A 32 ILE CD1 C 13 13.9300 . A 32 ILE CG1 C 13 29.0200 . A 32 ILE CG2 C 13 16.9100 . A 32 ILE N N 15 120.7900 . A 33 GLY H H 1 8.7750 . A 33 GLY HAx H 1 3.5000 . A 33 GLY HAy H 1 4.4670 . A 33 GLY CA C 13 44.5000 . A 33 GLY N N 15 115.8700 . A 34 ASP H H 1 8.6860 . A 34 ASP HA H 1 4.6340 . A 34 ASP HBx H 1 2.3350 . A 34 ASP HBy H 1 2.8180 . A 34 ASP CA C 13 55.8600 . A 34 ASP CB C 13 41.3100 . A 34 ASP N N 15 122.4300 . A 35 THR H H 1 8.3920 . A 35 THR HA H 1 5.1540 . A 35 THR HB H 1 4.1030 . A 35 THR HG2% H 1 1.3210 . A 35 THR CA C 13 61.4500 . A 35 THR CB C 13 69.0900 . A 35 THR CG2 C 13 22.3100 . A 35 THR N N 15 117.9800 . A 36 VAL H H 1 9.0160 . A 36 VAL HA H 1 5.1520 . A 36 VAL HB H 1 1.6400 . A 36 VAL HGx% H 1 0.5560 . A 36 VAL HGy% H 1 0.2280 . A 36 VAL CA C 13 57.9100 . A 36 VAL CB C 13 34.1900 . A 36 VAL CGx C 13 18.9600 . A 36 VAL CGy C 13 21.3800 . A 36 VAL N N 15 118.2000 . A 37 HIS H H 1 8.4910 . A 37 HIS HA H 1 4.8110 . A 37 HIS HBx H 1 2.1030 . A 37 HIS HBy H 1 2.1900 . A 37 HIS CA C 13 52.5600 . A 37 HIS CB C 13 31.2600 . A 37 HIS N N 15 122.1900 . A 38 ILE H H 1 8.6380 . A 38 ILE HA H 1 3.7500 . A 38 ILE HB H 1 1.4300 . A 38 ILE HD1% H 1 0.0100 . A 38 ILE HG1x H 1 0.3300 . A 38 ILE HG1y H 1 1.0700 . A 38 ILE HG2% H 1 0.3800 . A 38 ILE CA C 13 61.6400 . A 38 ILE CB C 13 38.8800 . A 38 ILE CD1 C 13 14.4900 . A 38 ILE CG1 C 13 28.4600 . A 38 ILE CG2 C 13 18.7700 . A 38 ILE N N 15 126.6500 . A 39 LEU H H 1 9.1630 . A 39 LEU HA H 1 4.3800 . A 39 LEU HBx H 1 1.5800 . A 39 LEU HBy H 1 1.6000 . A 39 LEU HDx% H 1 0.7200 . A 39 LEU HDy% H 1 0.9300 . A 39 LEU HG H 1 1.6100 . A 39 LEU CA C 13 55.4900 . A 39 LEU CB C 13 43.7500 . A 39 LEU CDx C 13 22.3100 . A 39 LEU CDy C 13 25.4800 . A 39 LEU CG C 13 27.1600 . A 39 LEU N N 15 126.1800 . A 40 GLU H H 1 7.8520 . A 40 GLU HA H 1 5.0200 . A 40 GLU HBx H 1 1.9700 . A 40 GLU HBy H 1 2.1300 . A 40 GLU CA C 13 55.0900 . A 40 GLU CB C 13 35.7300 . A 40 GLU N N 15 115.1600 . A 41 THR HA H 1 4.2700 . A 41 THR HB H 1 4.1100 . A 41 THR HG2% H 1 1.2300 . A 41 THR CA C 13 61.2500 . A 41 THR CB C 13 71.4100 . A 41 THR CG2 C 13 20.7500 . A 42 TYR HA H 1 4.5500 . A 43 GLU H H 1 8.5900 . A 43 GLU HA H 1 3.7400 . A 43 GLU HBx H 1 1.8400 . A 43 GLU HBy H 1 1.8400 . A 43 GLU N N 15 124.1000 . A 44 GLY H H 1 8.4320 . A 44 GLY HAx H 1 3.6260 . A 44 GLY HAy H 1 3.8500 . A 44 GLY CA C 13 45.4400 . A 44 GLY N N 15 110.7890 . A 45 TRP HA H 1 4.6900 . A 45 TRP HBx H 1 3.1200 . A 45 TRP HBy H 1 3.1200 . A 45 TRP HD1 H 1 7.2300 . A 45 TRP HE1 H 1 10.1 . A 45 TRP HE3 H 1 7.2080 . A 45 TRP HH2 H 1 7.2400 . A 45 TRP HZ2 H 1 7.4400 . A 45 TRP HZ3 H 1 6.7000 . A 45 TRP CA C 13 57.5500 . A 45 TRP NE1 N 15 129.93 . A 46 TYR HA H 1 5.6000 . A 46 TYR HBx H 1 1.8600 . A 46 TYR HBy H 1 2.5600 . A 46 TYR HDx H 1 7.0340 . A 46 TYR HDy H 1 7.0340 . A 46 TYR HEx H 1 6.7140 . A 46 TYR HEy H 1 6.7140 . A 46 TYR CA C 13 54.0600 . A 46 TYR CB C 13 42.6500 . A 47 ARG H H 1 8.4920 . A 47 ARG HA H 1 5.0940 . A 47 ARG HBx H 1 1.5850 . A 47 ARG HBy H 1 1.5850 . A 47 ARG HGx H 1 1.2000 . A 47 ARG HGy H 1 1.2000 . A 47 ARG CA C 13 54.0600 . A 47 ARG CB C 13 33.2500 . A 47 ARG CG C 13 27.7200 . A 47 ARG N N 15 118.1000 . A 48 GLY H H 1 9.1830 . A 48 GLY HAx H 1 3.9750 . A 48 GLY HAy H 1 5.0020 . A 48 GLY CA C 13 46.5600 . A 48 GLY N N 15 114.0000 . A 49 TYR H H 1 8.1940 . A 49 TYR HA H 1 5.3730 . A 49 TYR HBx H 1 3.1100 . A 49 TYR HBy H 1 3.2100 . A 49 TYR HDx H 1 6.8820 . A 49 TYR HDy H 1 6.8820 . A 49 TYR HEx H 1 6.6790 . A 49 TYR HEy H 1 6.6790 . A 49 TYR CA C 13 55.1100 . A 49 TYR CB C 13 40.7500 . A 49 TYR N N 15 116.1000 . A 50 THR H H 1 9.4410 . A 50 THR HA H 1 5.1050 . A 50 THR HB H 1 4.4900 . A 50 THR HG2% H 1 1.1570 . A 50 THR CA C 13 59.7700 . A 50 THR CB C 13 69.4600 . A 50 THR CG2 C 13 21.5700 . A 50 THR N N 15 112.3500 . A 51 LEU H H 1 8.3100 . A 51 LEU HA H 1 4.2360 . A 51 LEU HBx H 1 1.7400 . A 51 LEU HBy H 1 1.7800 . A 51 LEU HDx% H 1 0.9700 . A 51 LEU HDy% H 1 1.0000 . A 51 LEU HG H 1 1.7400 . A 51 LEU CA C 13 56.7900 . A 51 LEU CB C 13 40.0000 . A 51 LEU CDx C 13 23.4300 . A 51 LEU CDy C 13 24.9800 . A 51 LEU CG C 13 28.4600 . A 51 LEU N N 15 121.2600 . A 52 ARG H H 1 8.0470 . A 52 ARG HA H 1 4.2500 . A 52 ARG HBx H 1 1.8820 . A 52 ARG HBy H 1 1.8820 . A 52 ARG HDx H 1 3.2300 . A 52 ARG HDy H 1 3.2900 . A 52 ARG HGx H 1 1.6850 . A 52 ARG HGy H 1 1.6850 . A 52 ARG CA C 13 57.3500 . A 52 ARG CB C 13 30.5100 . A 52 ARG CD C 13 43.0000 . A 52 ARG CG C 13 27.5300 . A 52 ARG N N 15 116.5700 . A 53 LYS H H 1 7.6490 . A 53 LYS HA H 1 4.6160 . A 53 LYS HBx H 1 1.6000 . A 53 LYS HBy H 1 1.9030 . A 53 LYS HDx H 1 1.7300 . A 53 LYS HDy H 1 1.7300 . A 53 LYS HEx H 1 3.0300 . A 53 LYS HEy H 1 3.0300 . A 53 LYS HGx H 1 1.3700 . A 53 LYS HGy H 1 1.3700 . A 53 LYS CA C 13 54.6200 . A 53 LYS CB C 13 32.8600 . A 53 LYS CD C 13 29.0200 . A 53 LYS CE C 13 41.6900 . A 53 LYS CG C 13 25.1100 . A 53 LYS N N 15 122.6600 . A 54 LYS H H 1 8.4960 . A 54 LYS HA H 1 4.0900 . A 54 LYS HBx H 1 1.5400 . A 54 LYS HBy H 1 1.5400 . A 54 LYS HDx H 1 1.6400 . A 54 LYS HDy H 1 1.6400 . A 54 LYS HEx H 1 2.9700 . A 54 LYS HEy H 1 2.9700 . A 54 LYS HGx H 1 1.3700 . A 54 LYS HGy H 1 1.3700 . A 54 LYS CA C 13 58.4700 . A 54 LYS CB C 13 32.1300 . A 54 LYS CD C 13 29.2100 . A 54 LYS CE C 13 41.9600 . A 54 LYS CG C 13 25.2900 . A 54 LYS N N 15 125.0100 . A 55 SER H H 1 7.8570 . A 55 SER HA H 1 4.1220 . A 55 SER HBx H 1 3.8060 . A 55 SER HBy H 1 4.0100 . A 55 SER CA C 13 58.9600 . A 55 SER CB C 13 63.3100 . A 55 SER N N 15 110.2400 . A 56 LYS H H 1 7.4730 . A 56 LYS HA H 1 4.6680 . A 56 LYS HBx H 1 1.6600 . A 56 LYS HBy H 1 1.9870 . A 56 LYS HDx H 1 1.7500 . A 56 LYS HDy H 1 1.7500 . A 56 LYS HEx H 1 2.9300 . A 56 LYS HEy H 1 3.0600 . A 56 LYS HGx H 1 1.3700 . A 56 LYS HGy H 1 1.3700 . A 56 LYS CA C 13 54.8100 . A 56 LYS CB C 13 33.2500 . A 56 LYS CD C 13 29.0200 . A 56 LYS CE C 13 41.6900 . A 56 LYS CG C 13 24.9200 . A 56 LYS N N 15 124.0700 . A 57 LYS H H 1 8.4740 . A 57 LYS HA H 1 5.3410 . A 57 LYS HBx H 1 1.7300 . A 57 LYS HBy H 1 1.8000 . A 57 LYS HDx H 1 1.5800 . A 57 LYS HDy H 1 1.5800 . A 57 LYS HEy H 1 2.8300 . A 57 LYS HEx H 1 2.7700 . A 57 LYS HGx H 1 1.4010 . A 57 LYS HGy H 1 1.4010 . A 57 LYS CA C 13 54.6200 . A 57 LYS CB C 13 34.2400 . A 57 LYS CD C 13 29.5800 . A 57 LYS CE C 13 41.6900 . A 57 LYS CG C 13 24.5500 . A 57 LYS N N 15 125.9400 . A 58 GLY H H 1 9.0750 . A 58 GLY HAx H 1 3.9450 . A 58 GLY HAy H 1 4.3990 . A 58 GLY CA C 13 45.6200 . A 58 GLY N N 15 109.5400 . A 59 ILE H H 1 8.6280 . A 59 ILE HA H 1 6.0000 . A 59 ILE HB H 1 1.9500 . A 59 ILE HD1% H 1 0.2800 . A 59 ILE HG1x H 1 0.8900 . A 59 ILE HG1y H 1 1.4400 . A 59 ILE HG2% H 1 0.6800 . A 59 ILE CA C 13 59.5900 . A 59 ILE CB C 13 41.1400 . A 59 ILE CD1 C 13 13.1800 . A 59 ILE CG1 C 13 26.4100 . A 59 ILE CG2 C 13 18.0300 . A 59 ILE N N 15 113.9000 . A 60 PHE H H 1 8.7240 . A 60 PHE HA H 1 5.1200 . A 60 PHE HBx H 1 2.6300 . A 60 PHE HBy H 1 3.5700 . A 60 PHE HDx H 1 6.9120 . A 60 PHE HDy H 1 6.9120 . A 60 PHE HEx H 1 6.7080 . A 60 PHE HEy H 1 6.7080 . A 60 PHE HZ H 1 7.2510 . A 60 PHE CA C 13 54.0600 . A 60 PHE CB C 13 37.1900 . A 60 PHE N N 15 117.0400 . A 61 PRO HA H 1 3.4800 . A 61 PRO HBy H 1 1.2400 . A 61 PRO HBx H 1 1.1700 . A 61 PRO HDx H 1 2.3400 . A 61 PRO HDy H 1 2.6300 . A 61 PRO HGy H 1 0.8300 . A 61 PRO HGx H 1 0.4400 . A 61 PRO CA C 13 62.2000 . A 61 PRO CB C 13 31.1900 . A 61 PRO CD C 13 50.1200 . A 61 PRO CG C 13 27.3400 . A 62 ALA H H 1 7.8980 . A 62 ALA HA H 1 3.7100 . A 62 ALA HB% H 1 0.4600 . A 62 ALA CA C 13 54.3700 . A 62 ALA CB C 13 17.6500 . A 62 ALA N N 15 124.7700 . A 63 SER H H 1 8.0300 . A 63 SER HA H 1 4.2000 . A 63 SER HBx H 1 3.7000 . A 63 SER HBy H 1 3.8600 . A 63 SER CA C 13 59.4000 . A 63 SER CB C 13 62.3800 . A 63 SER N N 15 109.7000 . A 64 TYR H H 1 7.1280 . A 64 TYR HA H 1 4.2500 . A 64 TYR HBx H 1 2.7400 . A 64 TYR HBy H 1 3.2000 . A 64 TYR HDx H 1 6.8710 . A 64 TYR HDy H 1 6.8710 . A 64 TYR HEx H 1 6.7910 . A 64 TYR HEy H 1 6.7910 . A 64 TYR CA C 13 57.7200 . A 64 TYR CB C 13 37.5600 . A 64 TYR N N 15 120.3000 . A 65 ILE H H 1 7.6710 . A 65 ILE HA H 1 4.8100 . A 65 ILE HB H 1 2.3900 . A 65 ILE HD1% H 1 0.6300 . A 65 ILE HG1x H 1 1.5000 . A 65 ILE HG1y H 1 2.0200 . A 65 ILE HG2% H 1 0.7600 . A 65 ILE CA C 13 56.9800 . A 65 ILE CB C 13 39.6300 . A 65 ILE CD1 C 13 10.3900 . A 65 ILE CG1 C 13 26.9700 . A 65 ILE CG2 C 13 18.4000 . A 65 ILE N N 15 118.0000 . A 66 HIS H H 1 9.1590 . A 66 HIS HA H 1 5.1300 . A 66 HIS HBx H 1 2.9500 . A 66 HIS HBy H 1 3.0380 . A 66 HIS HD2 H 1 7.0820 . A 66 HIS CA C 13 53.0600 . A 66 HIS CB C 13 30.5100 . A 66 HIS N N 15 124.3000 . A 67 LEU H H 1 8.9920 . A 67 LEU HA H 1 4.5700 . A 67 LEU HBx H 1 1.4900 . A 67 LEU HBy H 1 1.7900 . A 67 LEU HDx% H 1 0.6900 . A 67 LEU HDy% H 1 0.9700 . A 67 LEU HG H 1 1.7900 . A 67 LEU CA C 13 55.3000 . A 67 LEU CB C 13 42.0600 . A 67 LEU CDx C 13 23.0600 . A 67 LEU CDy C 13 25.4800 . A 67 LEU CG C 13 27.1600 . A 67 LEU N N 15 127.5800 . A 68 LYS H H 1 8.4990 . A 68 LYS HA H 1 4.4900 . A 68 LYS HBx H 1 1.5500 . A 68 LYS HBy H 1 1.8200 . A 68 LYS HDx H 1 1.6500 . A 68 LYS HDy H 1 1.6500 . A 68 LYS HEx H 1 2.8600 . A 68 LYS HEy H 1 2.8600 . A 68 LYS HGx H 1 1.3900 . A 68 LYS HGy H 1 1.3900 . A 68 LYS CA C 13 55.1100 . A 68 LYS CB C 13 34.6100 . A 68 LYS CD C 13 29.0200 . A 68 LYS CE C 13 41.6900 . A 68 LYS CG C 13 24.5500 . A 68 LYS N N 15 121.9000 . A 69 GLU H H 1 8.5690 . A 69 GLU HA H 1 4.2800 . A 69 GLU HBx H 1 1.9500 . A 69 GLU HBy H 1 2.0400 . A 69 GLU HGx H 1 2.2800 . A 69 GLU HGy H 1 2.2800 . A 69 GLU CA C 13 56.6100 . A 69 GLU CB C 13 30.3300 . A 69 GLU CG C 13 36.2900 . A 69 GLU N N 15 122.1900 . A 70 ALA H H 1 8.1810 . A 70 ALA HA H 1 4.2000 . A 70 ALA HB% H 1 1.2700 . A 70 ALA CA C 13 51.8100 . A 70 ALA CB C 13 19.7000 . A 70 ALA N N 15 123.3700 . A 71 ILE H H 1 7.7760 . A 71 ILE HA H 1 4.0700 . A 71 ILE HB H 1 1.6500 . A 71 ILE HD1% H 1 0.7500 . A 71 ILE HG1x H 1 0.9700 . A 71 ILE HG1y H 1 1.2800 . A 71 ILE HG2% H 1 0.7400 . A 71 ILE CA C 13 60.3300 . A 71 ILE CB C 13 38.6900 . A 71 ILE CD1 C 13 12.9900 . A 71 ILE CG1 C 13 27.1600 . A 71 ILE CG2 C 13 17.4700 . A 71 ILE N N 15 120.0800 . A 72 VAL H H 1 8.0890 . A 72 VAL HA H 1 4.0700 . A 72 VAL HB H 1 1.9700 . A 72 VAL HGx% H 1 0.8600 . A 72 VAL HGy% H 1 0.8500 . A 72 VAL CA C 13 61.6400 . A 72 VAL CB C 13 32.6900 . A 72 VAL CGx C 13 20.6400 . A 72 VAL CGy C 13 21.1900 . A 72 VAL N N 15 124.5400 . A 73 GLU H H 1 8.4640 . A 73 GLU HA H 1 4.2800 . A 73 GLU HBx H 1 1.9000 . A 73 GLU HBy H 1 2.0300 . A 73 GLU HGx H 1 2.2300 . A 73 GLU HGy H 1 2.2300 . A 73 GLU CA C 13 56.6100 . A 73 GLU CB C 13 30.7100 . A 73 GLU CG C 13 36.2500 . A 73 GLU N N 15 125.9400 . A 74 GLY H H 1 7.9810 . A 74 GLY HAx H 1 3.7700 . A 74 GLY HAy H 1 3.7700 . A 74 GLY CA C 13 45.8100 . A 74 GLY N N 15 116.5700 . stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 10 GLU HA A 10 GLU HGx 1.0 1.80 4.98 2 1 A 10 GLU HA A 10 GLU HGy 1.0 1.80 4.98 3 2 A 11 GLU H A 10 GLU HBy 1.0 1.80 4.86 4 3 A 11 GLU H A 10 GLU HBx 1.0 1.80 4.86 5 4 A 11 GLU H A 10 GLU HGx 1.0 1.80 5.85 6 4 A 10 GLU HGy A 11 GLU H 1.0 1.80 5.85 7 5 A 11 GLU HA A 11 GLU HGx 1.0 1.80 4.44 8 5 A 11 GLU HA A 11 GLU HGy 1.0 1.80 4.44 9 6 A 11 GLU HGy A 12 LYS HDx 1.0 1.80 6.60 10 6 A 11 GLU HGx A 12 LYS HDx 1.0 1.80 6.60 11 6 A 12 LYS HDy A 11 GLU HGx 1.0 1.80 6.60 12 6 A 11 GLU HGy A 12 LYS HDy 1.0 1.80 6.60 13 7 A 11 GLU HGx A 12 LYS HGx 1.0 1.80 6.88 14 7 A 11 GLU HGy A 12 LYS HGx 1.0 1.80 6.88 15 7 A 12 LYS HGy A 11 GLU HGx 1.0 1.80 6.88 16 7 A 11 GLU HGy A 12 LYS HGy 1.0 1.80 6.88 17 8 A 11 GLU H A 11 GLU HGx 1.0 1.80 6.11 18 8 A 11 GLU H A 11 GLU HGy 1.0 1.80 6.11 19 9 A 12 LYS HA A 12 LYS HDx 1.0 1.80 5.12 20 9 A 12 LYS HDy A 12 LYS HA 1.0 1.80 5.12 21 10 A 12 LYS HA A 12 LYS HEx 1.0 1.80 5.66 22 10 A 12 LYS HA A 12 LYS HEy 1.0 1.80 5.66 23 11 A 12 LYS HA A 12 LYS HGx 1.0 1.80 4.90 24 11 A 12 LYS HGy A 12 LYS HA 1.0 1.80 4.90 25 12 A 12 LYS HDx A 12 LYS HEx 1.0 1.80 4.72 26 12 A 12 LYS HDy A 12 LYS HEx 1.0 1.80 4.72 27 12 A 12 LYS HEy A 12 LYS HDx 1.0 1.80 4.72 28 12 A 12 LYS HDy A 12 LYS HEy 1.0 1.80 4.72 29 13 A 12 LYS HDy A 12 LYS HGx 1.0 1.80 4.64 30 13 A 12 LYS HDx A 12 LYS HGx 1.0 1.80 4.64 31 13 A 12 LYS HGy A 12 LYS HDx 1.0 1.80 4.64 32 13 A 12 LYS HDy A 12 LYS HGy 1.0 1.80 4.64 33 14 A 12 LYS HEy A 12 LYS HGx 1.0 1.80 5.73 34 14 A 12 LYS HEx A 12 LYS HGx 1.0 1.80 5.73 35 14 A 12 LYS HGy A 12 LYS HEx 1.0 1.80 5.73 36 14 A 12 LYS HGy A 12 LYS HEy 1.0 1.80 5.73 37 15 A 13 TYR HA A 14 GLY H 1.0 1.80 3.56 38 16 A 13 TYR HA A 37 HIS HA 1.0 1.80 4.63 39 17 A 13 TYR HA A 37 HIS H 1.0 1.80 5.43 40 18 A 13 TYR HA A 38 ILE HG1y 1.0 1.80 5.69 41 18 A 13 TYR HA A 38 ILE HG1x 1.0 1.80 5.69 42 19 A 13 TYR HA A 38 ILE H 1.0 1.80 4.03 43 20 A 14 GLY H A 13 TYR HBy 1.0 1.80 4.78 44 21 A 35 THR HG2% A 13 TYR HBy 1.0 1.80 5.83 45 22 A 14 GLY H A 13 TYR HBx 1.0 1.80 4.78 46 23 A 35 THR HG2% A 13 TYR HBx 1.0 1.80 5.83 47 24 A 14 GLY H A 13 TYR HBy 1.0 1.80 4.85 48 24 A 14 GLY H A 13 TYR HBx 1.0 1.80 4.85 49 25 A 35 THR HG2% A 13 TYR HBy 1.0 1.80 5.90 50 25 A 35 THR HG2% A 13 TYR HBx 1.0 1.80 5.90 51 26 A 14 GLY H A 13 TYR HD% 1.0 1.80 6.86 52 27 A 68 LYS H A 14 GLY HAy 1.0 1.80 3.95 53 28 A 68 LYS H A 14 GLY HAx 1.0 1.80 3.95 54 29 A 15 VAL H A 14 GLY HAy 1.0 1.80 3.94 55 29 A 14 GLY HAx A 15 VAL H 1.0 1.80 3.94 56 30 A 36 VAL HGy% A 14 GLY HAy 1.0 1.80 7.14 57 30 A 14 GLY HAx A 36 VAL HGy% 1.0 1.80 7.14 58 30 A 14 GLY HAx A 36 VAL HGx% 1.0 1.80 7.14 59 30 A 14 GLY HAy A 36 VAL HGx% 1.0 1.80 7.14 60 31 A 38 ILE HD1% A 14 GLY HAy 1.0 1.80 6.41 61 31 A 14 GLY HAx A 38 ILE HD1% 1.0 1.80 6.41 62 32 A 65 ILE HG2% A 14 GLY HAy 1.0 1.80 5.50 63 32 A 14 GLY HAx A 65 ILE HG2% 1.0 1.80 5.50 64 33 A 67 LEU HA A 14 GLY HAy 1.0 1.80 4.82 65 33 A 14 GLY HAx A 67 LEU HA 1.0 1.80 4.82 66 34 A 14 GLY HAx A 67 LEU HDy% 1.0 1.80 7.01 67 34 A 14 GLY HAx A 67 LEU HDx% 1.0 1.80 7.01 68 34 A 14 GLY HAy A 67 LEU HDy% 1.0 1.80 7.01 69 34 A 67 LEU HDx% A 14 GLY HAy 1.0 1.80 7.01 70 35 A 14 GLY HAy A 68 LYS HGx 1.0 1.80 6.06 71 35 A 14 GLY HAx A 68 LYS HGx 1.0 1.80 6.06 72 35 A 68 LYS HGy A 14 GLY HAy 1.0 1.80 6.06 73 35 A 14 GLY HAx A 68 LYS HGy 1.0 1.80 6.06 74 36 A 14 GLY H A 15 VAL H 1.0 1.80 4.65 75 37 A 14 GLY H A 35 THR HG2% 1.0 1.80 5.94 76 38 A 14 GLY H A 36 VAL HGy% 1.0 1.80 5.99 77 38 A 14 GLY H A 36 VAL HGx% 1.0 1.80 5.99 78 39 A 14 GLY H A 36 VAL H 1.0 1.80 3.98 79 40 A 14 GLY H A 37 HIS HA 1.0 1.80 5.32 80 41 A 15 VAL HA A 15 VAL HGx% 1.0 1.80 4.58 81 42 A 15 VAL HA A 15 VAL HGy% 1.0 1.80 4.58 82 43 A 15 VAL HA A 15 VAL HGy% 1.0 1.80 5.17 83 43 A 15 VAL HA A 15 VAL HGx% 1.0 1.80 5.17 84 44 A 15 VAL HA A 16 ALA H 1.0 1.80 2.66 85 45 A 15 VAL HA A 35 THR HA 1.0 1.80 3.14 86 46 A 35 THR HG2% A 15 VAL HA 1.0 1.80 5.31 87 47 A 15 VAL HA A 36 VAL HGy% 1.0 1.80 6.51 88 47 A 15 VAL HA A 36 VAL HGx% 1.0 1.80 6.51 89 48 A 36 VAL H A 15 VAL HA 1.0 1.80 3.79 90 49 A 16 ALA H A 15 VAL HB 1.0 1.80 4.11 91 50 A 35 THR HA A 15 VAL HB 1.0 1.80 5.13 92 51 A 35 THR HG2% A 15 VAL HB 1.0 1.80 6.40 93 52 A 15 VAL HB A 66 HIS HBy 1.0 1.80 5.03 94 53 A 15 VAL HB A 66 HIS HBx 1.0 1.80 5.03 95 54 A 15 VAL HB A 66 HIS HBx 1.0 1.80 5.16 96 54 A 15 VAL HB A 66 HIS HBy 1.0 1.80 5.16 97 55 A 15 VAL HB A 66 HIS H 1.0 1.80 4.57 98 56 A 16 ALA H A 15 VAL HGx% 1.0 1.80 5.02 99 57 A 35 THR HA A 15 VAL HGx% 1.0 1.80 5.01 100 58 A 66 HIS H A 15 VAL HGx% 1.0 1.80 6.52 101 59 A 68 LYS HEy A 15 VAL HGx% 1.0 1.80 7.40 102 59 A 15 VAL HGx% A 68 LYS HEx 1.0 1.80 7.40 103 60 A 68 LYS HGy A 15 VAL HGx% 1.0 1.80 6.36 104 60 A 15 VAL HGx% A 68 LYS HGx 1.0 1.80 6.36 105 61 A 16 ALA H A 15 VAL HGy% 1.0 1.80 5.02 106 62 A 35 THR HA A 15 VAL HGy% 1.0 1.80 5.01 107 63 A 66 HIS H A 15 VAL HGy% 1.0 1.80 6.52 108 64 A 68 LYS HEy A 15 VAL HGy% 1.0 1.80 7.40 109 64 A 15 VAL HGy% A 68 LYS HEx 1.0 1.80 7.40 110 65 A 68 LYS HGy A 15 VAL HGy% 1.0 1.80 6.36 111 65 A 15 VAL HGy% A 68 LYS HGx 1.0 1.80 6.36 112 66 A 16 ALA H A 15 VAL HGy% 1.0 1.80 5.30 113 66 A 16 ALA H A 15 VAL HGx% 1.0 1.80 5.30 114 67 A 32 ILE HA A 15 VAL HGy% 1.0 1.80 6.91 115 67 A 32 ILE HA A 15 VAL HGx% 1.0 1.80 6.91 116 68 A 15 VAL HGx% A 33 GLY HAx 1.0 1.80 6.68 117 68 A 33 GLY HAy A 15 VAL HGy% 1.0 1.80 6.68 118 68 A 33 GLY HAy A 15 VAL HGx% 1.0 1.80 6.68 119 68 A 15 VAL HGy% A 33 GLY HAx 1.0 1.80 6.68 120 69 A 33 GLY H A 15 VAL HGy% 1.0 1.80 6.08 121 69 A 33 GLY H A 15 VAL HGx% 1.0 1.80 6.08 122 70 A 34 ASP H A 15 VAL HGy% 1.0 1.80 6.40 123 70 A 34 ASP H A 15 VAL HGx% 1.0 1.80 6.40 124 71 A 35 THR HA A 15 VAL HGy% 1.0 1.80 5.53 125 71 A 35 THR HA A 15 VAL HGx% 1.0 1.80 5.53 126 72 A 35 THR HG2% A 15 VAL HGy% 1.0 1.80 7.19 127 72 A 35 THR HG2% A 15 VAL HGx% 1.0 1.80 7.19 128 73 A 36 VAL H A 15 VAL HGy% 1.0 1.80 6.99 129 73 A 36 VAL H A 15 VAL HGx% 1.0 1.80 6.99 130 74 A 15 VAL HGy% A 66 HIS HBx 1.0 1.80 7.68 131 74 A 15 VAL HGx% A 66 HIS HBx 1.0 1.80 7.68 132 74 A 66 HIS HBy A 15 VAL HGy% 1.0 1.80 7.68 133 74 A 66 HIS HBy A 15 VAL HGx% 1.0 1.80 7.68 134 75 A 15 VAL HGy% A 68 LYS HDx 1.0 1.80 7.01 135 75 A 15 VAL HGx% A 68 LYS HDx 1.0 1.80 7.01 136 75 A 68 LYS HDy A 15 VAL HGy% 1.0 1.80 7.01 137 75 A 68 LYS HDy A 15 VAL HGx% 1.0 1.80 7.01 138 76 A 15 VAL HGx% A 68 LYS HEx 1.0 1.80 7.16 139 76 A 15 VAL HGy% A 68 LYS HEx 1.0 1.80 7.16 140 76 A 68 LYS HEy A 15 VAL HGy% 1.0 1.80 7.16 141 76 A 68 LYS HEy A 15 VAL HGx% 1.0 1.80 7.16 142 77 A 15 VAL HGx% A 68 LYS HGx 1.0 1.80 6.60 143 77 A 15 VAL HGy% A 68 LYS HGx 1.0 1.80 6.60 144 77 A 68 LYS HGy A 15 VAL HGy% 1.0 1.80 6.60 145 77 A 68 LYS HGy A 15 VAL HGx% 1.0 1.80 6.60 146 78 A 68 LYS H A 15 VAL HGy% 1.0 1.80 6.96 147 78 A 68 LYS H A 15 VAL HGx% 1.0 1.80 6.96 148 79 A 15 VAL H A 15 VAL HB 1.0 1.80 3.52 149 80 A 15 VAL H A 15 VAL HGx% 1.0 1.80 5.08 150 81 A 15 VAL H A 15 VAL HGy% 1.0 1.80 5.08 151 82 A 15 VAL H A 15 VAL HGy% 1.0 1.80 5.35 152 82 A 15 VAL H A 15 VAL HGx% 1.0 1.80 5.35 153 83 A 15 VAL H A 36 VAL HGy% 1.0 1.80 6.91 154 83 A 15 VAL H A 36 VAL HGx% 1.0 1.80 6.91 155 84 A 15 VAL H A 65 ILE HG2% 1.0 1.80 4.80 156 85 A 15 VAL H A 66 HIS HBx 1.0 1.80 5.48 157 85 A 15 VAL H A 66 HIS HBy 1.0 1.80 5.48 158 86 A 15 VAL H A 66 HIS H 1.0 1.80 3.72 159 87 A 15 VAL H A 67 LEU HA 1.0 1.80 4.20 160 88 A 15 VAL H A 67 LEU HDx% 1.0 1.80 6.52 161 88 A 15 VAL H A 67 LEU HDy% 1.0 1.80 6.52 162 89 A 15 VAL H A 68 LYS HGx 1.0 1.80 5.56 163 89 A 15 VAL H A 68 LYS HGy 1.0 1.80 5.56 164 90 A 16 ALA HA A 17 PHE H 1.0 1.80 3.09 165 91 A 16 ALA HA A 30 LEU HDx% 1.0 1.80 6.70 166 91 A 16 ALA HA A 30 LEU HDy% 1.0 1.80 6.70 167 92 A 16 ALA HA A 65 ILE HA 1.0 1.80 3.28 168 93 A 16 ALA HA A 65 ILE HD1% 1.0 1.80 4.39 169 94 A 65 ILE HG2% A 16 ALA HA 1.0 1.80 5.04 170 95 A 66 HIS H A 16 ALA HA 1.0 1.80 4.14 171 96 A 17 PHE H A 16 ALA HB% 1.0 1.80 4.70 172 97 A 16 ALA HB% A 18 TYR H 1.0 1.80 5.04 173 98 A 16 ALA HB% A 30 LEU HBy 1.0 1.80 5.50 174 99 A 16 ALA HB% A 30 LEU HBx 1.0 1.80 5.50 175 100 A 16 ALA HB% A 30 LEU HBy 1.0 1.80 5.81 176 100 A 16 ALA HB% A 30 LEU HBx 1.0 1.80 5.81 177 101 A 16 ALA HB% A 30 LEU HDx% 1.0 1.80 5.71 178 102 A 16 ALA HB% A 30 LEU HDy% 1.0 1.80 5.71 179 103 A 16 ALA HB% A 31 GLN H 1.0 1.80 5.28 180 104 A 32 ILE HA A 16 ALA HB% 1.0 1.80 5.90 181 105 A 16 ALA HB% A 34 ASP HBy 1.0 1.80 5.83 182 106 A 16 ALA HB% A 34 ASP HBx 1.0 1.80 5.06 183 107 A 16 ALA HB% A 36 VAL HGx% 1.0 1.80 6.48 184 108 A 16 ALA HB% A 36 VAL HGy% 1.0 1.80 6.48 185 109 A 65 ILE HA A 16 ALA HB% 1.0 1.80 5.48 186 110 A 65 ILE HD1% A 16 ALA HB% 1.0 1.80 5.40 187 111 A 16 ALA H A 16 ALA HB% 1.0 1.80 3.91 188 112 A 16 ALA H A 17 PHE H 1.0 1.80 4.50 189 113 A 16 ALA H A 32 ILE HA 1.0 1.80 5.50 190 114 A 16 ALA H A 33 GLY H 1.0 1.80 5.27 191 115 A 16 ALA H A 34 ASP HBy 1.0 1.80 5.10 192 116 A 16 ALA H A 34 ASP HBx 1.0 1.80 4.60 193 117 A 16 ALA H A 34 ASP H 1.0 1.80 4.20 194 118 A 16 ALA H A 35 THR HA 1.0 1.80 3.77 195 119 A 16 ALA H A 36 VAL HGx% 1.0 1.80 6.52 196 120 A 16 ALA H A 36 VAL HGy% 1.0 1.80 6.52 197 121 A 16 ALA H A 36 VAL HGy% 1.0 1.80 6.06 198 121 A 16 ALA H A 36 VAL HGx% 1.0 1.80 6.06 199 122 A 16 ALA H A 65 ILE HD1% 1.0 1.80 5.84 200 123 A 32 ILE HA A 17 PHE HA 1.0 1.80 4.58 201 124 A 17 PHE HA A 32 ILE HG2% 1.0 1.80 4.56 202 125 A 18 TYR H A 17 PHE HBy 1.0 1.80 5.29 203 125 A 18 TYR H A 17 PHE HBx 1.0 1.80 5.29 204 126 A 32 ILE HG2% A 17 PHE HBy 1.0 1.80 6.57 205 126 A 32 ILE HG2% A 17 PHE HBx 1.0 1.80 6.57 206 127 A 17 PHE H A 17 PHE HBy 1.0 1.80 4.10 207 128 A 17 PHE H A 17 PHE HBx 1.0 1.80 4.10 208 129 A 17 PHE H A 17 PHE HBy 1.0 1.80 4.46 209 129 A 17 PHE H A 17 PHE HBx 1.0 1.80 4.46 210 130 A 17 PHE H A 17 PHE HD% 1.0 1.80 5.97 211 131 A 17 PHE H A 18 TYR H 1.0 1.80 4.24 212 132 A 17 PHE H A 30 LEU HDx% 1.0 1.80 7.05 213 132 A 17 PHE H A 30 LEU HDy% 1.0 1.80 7.05 214 133 A 17 PHE H A 32 ILE HG2% 1.0 1.80 6.40 215 134 A 17 PHE H A 65 ILE HD1% 1.0 1.80 6.20 216 135 A 18 TYR HA A 19 ASN H 1.0 1.80 2.91 217 136 A 18 TYR HA A 32 ILE HD1% 1.0 1.80 4.88 218 137 A 18 TYR HA A 32 ILE HG1y 1.0 1.80 4.16 219 138 A 18 TYR HA A 32 ILE HG1x 1.0 1.80 3.89 220 139 A 19 ASN H A 18 TYR HBy 1.0 1.80 4.02 221 140 A 19 ASN H A 18 TYR HBx 1.0 1.80 4.02 222 141 A 19 ASN HA A 18 TYR HBy 1.0 1.80 5.24 223 141 A 18 TYR HBx A 19 ASN HA 1.0 1.80 5.24 224 142 A 19 ASN H A 18 TYR HBy 1.0 1.80 4.02 225 142 A 19 ASN H A 18 TYR HBx 1.0 1.80 4.02 226 143 A 20 TYR H A 18 TYR HBy 1.0 1.80 4.62 227 143 A 18 TYR HBx A 20 TYR H 1.0 1.80 4.62 228 144 A 18 TYR HBx A 30 LEU HBy 1.0 1.80 5.75 229 144 A 18 TYR HBy A 30 LEU HBy 1.0 1.80 5.75 230 144 A 30 LEU HBx A 18 TYR HBy 1.0 1.80 5.75 231 144 A 30 LEU HBx A 18 TYR HBx 1.0 1.80 5.75 232 145 A 30 LEU HDx% A 18 TYR HBy 1.0 1.80 6.86 233 145 A 18 TYR HBx A 30 LEU HDy% 1.0 1.80 6.86 234 145 A 18 TYR HBx A 30 LEU HDx% 1.0 1.80 6.86 235 145 A 18 TYR HBy A 30 LEU HDy% 1.0 1.80 6.86 236 146 A 18 TYR HBx A 32 ILE HG1x 1.0 1.80 6.22 237 146 A 32 ILE HG1x A 18 TYR HBy 1.0 1.80 6.22 238 147 A 19 ASN H A 18 TYR HD% 1.0 1.80 6.60 239 148 A 18 TYR H A 18 TYR HBy 1.0 1.80 4.04 240 149 A 18 TYR H A 18 TYR HBx 1.0 1.80 4.04 241 150 A 18 TYR H A 18 TYR HBy 1.0 1.80 4.33 242 150 A 18 TYR H A 18 TYR HBx 1.0 1.80 4.33 243 151 A 18 TYR H A 18 TYR HD% 1.0 1.80 6.80 244 152 A 18 TYR H A 19 ASN H 1.0 1.80 4.49 245 153 A 18 TYR H A 30 LEU HDx% 1.0 1.80 7.11 246 153 A 18 TYR H A 30 LEU HDy% 1.0 1.80 7.11 247 154 A 32 ILE HA A 18 TYR H 1.0 1.80 4.78 248 155 A 18 TYR H A 32 ILE HD1% 1.0 1.80 5.84 249 156 A 18 TYR H A 32 ILE HG1y 1.0 1.80 4.02 250 157 A 18 TYR H A 32 ILE HG1x 1.0 1.80 4.38 251 158 A 18 TYR H A 32 ILE HG2% 1.0 1.80 5.88 252 159 A 19 ASN HA A 20 TYR H 1.0 1.80 3.01 253 160 A 19 ASN HA A 31 GLN HA 1.0 1.80 3.41 254 161 A 19 ASN HA A 32 ILE H 1.0 1.80 3.96 255 162 A 19 ASN HBy A 19 ASN HD2y 1.0 1.80 4.94 256 162 A 19 ASN HBy A 19 ASN HD2x 1.0 1.80 4.94 257 162 A 19 ASN HD2x A 19 ASN HBx 1.0 1.80 4.94 258 162 A 19 ASN HD2y A 19 ASN HBx 1.0 1.80 4.94 259 163 A 32 ILE HD1% A 19 ASN HD2x 1.0 1.80 5.52 260 164 A 32 ILE HD1% A 19 ASN HD2y 1.0 1.80 5.52 261 165 A 32 ILE HD1% A 19 ASN HD2x 1.0 1.80 5.73 262 165 A 32 ILE HD1% A 19 ASN HD2y 1.0 1.80 5.73 263 166 A 19 ASN H A 19 ASN HBx 1.0 1.80 4.10 264 166 A 19 ASN H A 19 ASN HBy 1.0 1.80 4.10 265 167 A 19 ASN H A 19 ASN HD2x 1.0 1.80 4.77 266 168 A 19 ASN H A 19 ASN HD2y 1.0 1.80 4.77 267 169 A 19 ASN H A 19 ASN HD2x 1.0 1.80 5.06 268 169 A 19 ASN H A 19 ASN HD2y 1.0 1.80 5.06 269 170 A 19 ASN H A 32 ILE HD1% 1.0 1.80 5.32 270 171 A 19 ASN H A 32 ILE HG1y 1.0 1.80 4.59 271 172 A 19 ASN H A 32 ILE HG1x 1.0 1.80 5.17 272 173 A 20 TYR HA A 21 ASP H 1.0 1.80 2.88 273 174 A 30 LEU H A 20 TYR HBy 1.0 1.80 4.59 274 175 A 30 LEU H A 20 TYR HBx 1.0 1.80 4.59 275 176 A 21 ASP H A 20 TYR HBy 1.0 1.80 4.98 276 176 A 21 ASP H A 20 TYR HBx 1.0 1.80 4.98 277 177 A 20 TYR HBx A 30 LEU HBy 1.0 1.80 5.68 278 177 A 20 TYR HBy A 30 LEU HBy 1.0 1.80 5.68 279 177 A 30 LEU HBx A 20 TYR HBy 1.0 1.80 5.68 280 177 A 30 LEU HBx A 20 TYR HBx 1.0 1.80 5.68 281 178 A 30 LEU HDx% A 20 TYR HBy 1.0 1.80 7.12 282 178 A 20 TYR HBx A 30 LEU HDy% 1.0 1.80 7.12 283 178 A 20 TYR HBx A 30 LEU HDx% 1.0 1.80 7.12 284 178 A 20 TYR HBy A 30 LEU HDy% 1.0 1.80 7.12 285 179 A 30 LEU HG A 20 TYR HBy 1.0 1.80 6.16 286 179 A 20 TYR HBx A 30 LEU HG 1.0 1.80 6.16 287 180 A 30 LEU H A 20 TYR HBy 1.0 1.80 4.59 288 180 A 30 LEU H A 20 TYR HBx 1.0 1.80 4.59 289 181 A 21 ASP H A 20 TYR HD% 1.0 1.80 5.86 290 182 A 20 TYR HD% A 22 ALA H 1.0 1.80 6.59 291 183 A 30 LEU H A 20 TYR HD% 1.0 1.80 6.20 292 184 A 21 ASP H A 20 TYR HE% 1.0 1.80 6.89 293 185 A 22 ALA H A 20 TYR HE% 1.0 1.80 6.66 294 186 A 20 TYR HE% A 23 ARG H 1.0 1.80 6.37 295 187 A 20 TYR HE% A 28 LEU H 1.0 1.80 6.39 296 188 A 20 TYR HE% A 29 SER H 1.0 1.80 7.48 297 189 A 20 TYR H A 20 TYR HBy 1.0 1.80 3.95 298 190 A 20 TYR H A 20 TYR HBx 1.0 1.80 3.95 299 191 A 20 TYR H A 20 TYR HBy 1.0 1.80 4.33 300 191 A 20 TYR H A 20 TYR HBx 1.0 1.80 4.33 301 192 A 20 TYR H A 20 TYR HD% 1.0 1.80 6.40 302 193 A 20 TYR H A 21 ASP H 1.0 1.80 4.59 303 194 A 20 TYR H A 30 LEU HBy 1.0 1.80 4.23 304 195 A 30 LEU HBx A 20 TYR H 1.0 1.80 4.23 305 196 A 20 TYR H A 30 LEU HDx% 1.0 1.80 7.06 306 196 A 20 TYR H A 30 LEU HDy% 1.0 1.80 7.06 307 197 A 20 TYR H A 30 LEU H 1.0 1.80 3.71 308 198 A 20 TYR H A 31 GLN HA 1.0 1.80 4.20 309 199 A 22 ALA H A 21 ASP HA 1.0 1.80 3.17 310 200 A 21 ASP HA A 29 SER HA 1.0 1.80 4.15 311 201 A 21 ASP HA A 29 SER HBy 1.0 1.80 4.64 312 202 A 21 ASP HA A 29 SER HBx 1.0 1.80 4.64 313 203 A 21 ASP HA A 29 SER HBx 1.0 1.80 4.85 314 203 A 21 ASP HA A 29 SER HBy 1.0 1.80 4.85 315 204 A 22 ALA H A 21 ASP HBy 1.0 1.80 4.52 316 205 A 22 ALA H A 21 ASP HBx 1.0 1.80 4.52 317 206 A 22 ALA H A 21 ASP HBy 1.0 1.80 4.69 318 206 A 22 ALA H A 21 ASP HBx 1.0 1.80 4.69 319 207 A 21 ASP H A 21 ASP HBy 1.0 1.80 3.84 320 207 A 21 ASP H A 21 ASP HBx 1.0 1.80 3.84 321 208 A 21 ASP H A 22 ALA H 1.0 1.80 4.73 322 209 A 23 ARG H A 22 ALA HA 1.0 1.80 2.96 323 210 A 22 ALA HA A 27 GLU HBy 1.0 1.80 4.06 324 211 A 22 ALA HA A 27 GLU HBx 1.0 1.80 4.20 325 212 A 22 ALA HA A 27 GLU HGx 1.0 1.80 5.93 326 212 A 22 ALA HA A 27 GLU HGy 1.0 1.80 5.93 327 213 A 23 ARG H A 22 ALA HB% 1.0 1.30 4.00 328 214 A 22 ALA HB% A 24 GLY H 1.0 1.31 3.80 329 215 A 22 ALA HB% A 27 GLU HA 1.0 1.80 5.72 330 216 A 22 ALA HB% A 27 GLU HBy 1.0 1.80 4.73 331 217 A 22 ALA HB% A 27 GLU HBx 1.0 1.80 4.98 332 218 A 22 ALA HB% A 27 GLU HGx 1.0 1.80 6.19 333 218 A 27 GLU HGy A 22 ALA HB% 1.0 1.80 6.19 334 219 A 22 ALA HB% A 27 GLU H 1.0 1.80 4.97 335 220 A 22 ALA HB% A 28 LEU HA 1.0 1.80 5.06 336 221 A 28 LEU H A 22 ALA HB% 1.0 1.80 4.87 337 222 A 29 SER HA A 22 ALA HB% 1.0 1.80 5.13 338 223 A 29 SER H A 22 ALA HB% 1.0 0.99 3.50 339 224 A 22 ALA H A 22 ALA HB% 1.0 1.80 3.81 340 225 A 22 ALA H A 23 ARG H 1.0 1.80 4.73 341 226 A 22 ALA H A 29 SER HA 1.0 1.80 3.37 342 227 A 22 ALA H A 29 SER HBy 1.0 1.80 4.38 343 228 A 22 ALA H A 29 SER HBx 1.0 1.80 4.38 344 229 A 22 ALA H A 29 SER HBx 1.0 1.80 4.59 345 229 A 22 ALA H A 29 SER HBy 1.0 1.80 4.59 346 230 A 30 LEU H A 22 ALA H 1.0 1.80 4.68 347 231 A 23 ARG HA A 23 ARG HDx 1.0 1.80 5.38 348 231 A 23 ARG HA A 23 ARG HDy 1.0 1.80 5.38 349 232 A 23 ARG HA A 23 ARG HGy 1.0 1.80 4.20 350 233 A 23 ARG HA A 23 ARG HGx 1.0 1.80 4.20 351 234 A 23 ARG HA A 23 ARG HGx 1.0 1.80 4.46 352 234 A 23 ARG HA A 23 ARG HGy 1.0 1.80 4.46 353 235 A 23 ARG HBx A 23 ARG HDx 1.0 1.80 5.65 354 235 A 23 ARG HBy A 23 ARG HDx 1.0 1.80 5.65 355 235 A 23 ARG HDy A 23 ARG HBx 1.0 1.80 5.65 356 235 A 23 ARG HDy A 23 ARG HBy 1.0 1.80 5.65 357 236 A 24 GLY H A 23 ARG HBx 1.0 1.80 4.64 358 236 A 24 GLY H A 23 ARG HBy 1.0 1.80 4.64 359 237 A 23 ARG H A 23 ARG HBx 1.0 1.80 4.19 360 237 A 23 ARG H A 23 ARG HBy 1.0 1.80 4.19 361 238 A 23 ARG H A 23 ARG HDx 1.0 1.80 5.52 362 238 A 23 ARG H A 23 ARG HDy 1.0 1.80 5.52 363 239 A 23 ARG H A 23 ARG HGx 1.0 1.80 5.01 364 239 A 23 ARG H A 23 ARG HGy 1.0 1.80 5.01 365 240 A 23 ARG H A 24 GLY H 1.0 1.48 2.90 366 241 A 23 ARG H A 27 GLU HBy 1.0 1.80 4.63 367 242 A 23 ARG H A 27 GLU HBx 1.0 1.80 3.95 368 243 A 24 GLY HAy A 26 ASP H 1.0 1.80 4.00 369 244 A 27 GLU H A 24 GLY HAy 1.0 1.80 4.46 370 245 A 24 GLY HAx A 25 ALA HA 1.0 1.80 4.43 371 246 A 26 ASP H A 24 GLY HAx 1.0 1.80 4.49 372 247 A 24 GLY H A 25 ALA H 1.0 1.80 4.91 373 248 A 24 GLY H A 27 GLU HBy 1.0 1.80 5.15 374 249 A 24 GLY H A 27 GLU HBx 1.0 1.80 3.94 375 250 A 24 GLY H A 27 GLU H 1.0 1.80 4.48 376 251 A 27 GLU H A 25 ALA HA 1.0 1.80 4.70 377 252 A 26 ASP H A 25 ALA HB% 1.0 1.80 4.44 378 253 A 27 GLU H A 25 ALA HB% 1.0 1.80 5.66 379 254 A 25 ALA H A 25 ALA HB% 1.0 1.80 4.79 380 255 A 26 ASP H A 25 ALA H 1.0 1.80 4.35 381 256 A 27 GLU H A 25 ALA H 1.0 1.80 4.77 382 257 A 27 GLU H A 26 ASP HBy 1.0 1.80 4.22 383 258 A 27 GLU H A 26 ASP HBx 1.0 1.80 4.22 384 259 A 26 ASP H A 26 ASP HBy 1.0 1.80 3.76 385 260 A 26 ASP H A 26 ASP HBx 1.0 1.80 3.76 386 261 A 26 ASP H A 26 ASP HBy 1.0 1.80 3.99 387 261 A 26 ASP H A 26 ASP HBx 1.0 1.80 3.99 388 262 A 26 ASP H A 27 GLU HBx 1.0 1.80 4.93 389 263 A 27 GLU H A 26 ASP H 1.0 1.80 3.18 390 264 A 27 GLU HA A 27 GLU HGx 1.0 1.80 4.97 391 264 A 27 GLU HGy A 27 GLU HA 1.0 1.80 4.97 392 265 A 28 LEU H A 27 GLU HA 1.0 1.80 3.28 393 266 A 27 GLU HA A 59 ILE HG1y 1.0 1.80 5.10 394 266 A 27 GLU HA A 59 ILE HG1x 1.0 1.80 5.10 395 267 A 27 GLU HA A 59 ILE H 1.0 1.80 4.23 396 268 A 28 LEU H A 27 GLU HBy 1.0 1.80 3.74 397 269 A 59 ILE H A 27 GLU HBy 1.0 1.80 5.50 398 270 A 28 LEU H A 27 GLU HBx 1.0 1.80 4.38 399 271 A 28 LEU H A 27 GLU HGx 1.0 1.80 5.47 400 271 A 28 LEU H A 27 GLU HGy 1.0 1.80 5.47 401 272 A 59 ILE HD1% A 27 GLU HGx 1.0 1.80 6.76 402 272 A 27 GLU HGy A 59 ILE HD1% 1.0 1.80 6.76 403 273 A 27 GLU HGy A 59 ILE HG1y 1.0 1.80 6.15 404 273 A 27 GLU HGx A 59 ILE HG1y 1.0 1.80 6.15 405 273 A 59 ILE HG1x A 27 GLU HGx 1.0 1.80 6.15 406 273 A 27 GLU HGy A 59 ILE HG1x 1.0 1.80 6.15 407 274 A 59 ILE H A 27 GLU HGx 1.0 1.80 5.75 408 274 A 27 GLU HGy A 59 ILE H 1.0 1.80 5.75 409 275 A 27 GLU H A 27 GLU HBx 1.0 1.80 3.35 410 276 A 28 LEU HA A 28 LEU HDx% 1.0 1.80 5.00 411 277 A 28 LEU HA A 28 LEU HDy% 1.0 1.80 5.00 412 278 A 28 LEU HA A 28 LEU HDx% 1.0 1.80 5.28 413 278 A 28 LEU HA A 28 LEU HDy% 1.0 1.80 5.28 414 279 A 29 SER H A 28 LEU HA 1.0 1.80 3.56 415 280 A 28 LEU HDx% A 28 LEU HBy 1.0 1.80 4.72 416 281 A 28 LEU HBy A 28 LEU HDy% 1.0 1.80 4.72 417 282 A 29 SER H A 28 LEU HBy 1.0 1.80 4.12 418 283 A 28 LEU HBy A 30 LEU HDy% 1.0 1.80 6.90 419 283 A 30 LEU HDx% A 28 LEU HBy 1.0 1.80 6.90 420 284 A 50 THR HG2% A 28 LEU HBy 1.0 1.80 6.52 421 285 A 28 LEU HBx A 28 LEU HDx% 1.0 1.80 4.60 422 286 A 28 LEU HBx A 28 LEU HDy% 1.0 1.80 4.60 423 287 A 58 GLY H A 28 LEU HBx 1.0 1.80 4.55 424 288 A 29 SER H A 28 LEU HDx% 1.0 1.80 5.57 425 289 A 49 TYR HA A 28 LEU HDx% 1.0 1.80 5.22 426 290 A 50 THR HG2% A 28 LEU HDx% 1.0 1.80 6.11 427 291 A 50 THR H A 28 LEU HDx% 1.0 1.80 5.49 428 292 A 53 LYS HEy A 28 LEU HDx% 1.0 1.80 6.91 429 292 A 28 LEU HDx% A 53 LYS HEx 1.0 1.80 6.91 430 293 A 28 LEU HDx% A 58 GLY HAy 1.0 1.80 6.40 431 294 A 58 GLY HAx A 28 LEU HDx% 1.0 1.80 6.40 432 295 A 58 GLY H A 28 LEU HDx% 1.0 1.80 5.68 433 296 A 29 SER H A 28 LEU HDy% 1.0 1.80 5.57 434 297 A 49 TYR HA A 28 LEU HDy% 1.0 1.80 5.22 435 298 A 50 THR HG2% A 28 LEU HDy% 1.0 1.80 6.11 436 299 A 50 THR H A 28 LEU HDy% 1.0 1.80 5.49 437 300 A 53 LYS HEy A 28 LEU HDy% 1.0 1.80 6.91 438 300 A 28 LEU HDy% A 53 LYS HEx 1.0 1.80 6.91 439 301 A 28 LEU HDy% A 58 GLY HAy 1.0 1.80 6.40 440 302 A 58 GLY HAx A 28 LEU HDy% 1.0 1.80 6.40 441 303 A 58 GLY H A 28 LEU HDy% 1.0 1.80 5.68 442 304 A 29 SER H A 28 LEU HDx% 1.0 1.80 5.82 443 304 A 29 SER H A 28 LEU HDy% 1.0 1.80 5.82 444 305 A 30 LEU HDx% A 28 LEU HDy% 1.0 1.80 8.41 445 305 A 28 LEU HDx% A 30 LEU HDy% 1.0 1.80 8.41 446 305 A 28 LEU HDy% A 30 LEU HDy% 1.0 1.80 8.41 447 305 A 30 LEU HDx% A 28 LEU HDx% 1.0 1.80 8.41 448 306 A 49 TYR HA A 28 LEU HDx% 1.0 1.80 5.42 449 306 A 49 TYR HA A 28 LEU HDy% 1.0 1.80 5.42 450 307 A 28 LEU HDy% A 49 TYR HBy 1.0 1.80 7.68 451 307 A 28 LEU HDx% A 49 TYR HBy 1.0 1.80 7.68 452 307 A 49 TYR HBx A 28 LEU HDx% 1.0 1.80 7.68 453 307 A 49 TYR HBx A 28 LEU HDy% 1.0 1.80 7.68 454 308 A 50 THR HG2% A 28 LEU HDx% 1.0 1.80 6.58 455 308 A 50 THR HG2% A 28 LEU HDy% 1.0 1.80 6.58 456 309 A 50 THR H A 28 LEU HDx% 1.0 1.80 5.78 457 309 A 50 THR H A 28 LEU HDy% 1.0 1.80 5.78 458 310 A 28 LEU HDy% A 53 LYS HDx 1.0 1.80 7.05 459 310 A 28 LEU HDx% A 53 LYS HDx 1.0 1.80 7.05 460 310 A 53 LYS HDy A 28 LEU HDx% 1.0 1.80 7.05 461 310 A 53 LYS HDy A 28 LEU HDy% 1.0 1.80 7.05 462 311 A 28 LEU HDy% A 53 LYS HEx 1.0 1.80 6.97 463 311 A 28 LEU HDx% A 53 LYS HEx 1.0 1.80 6.97 464 311 A 53 LYS HEy A 28 LEU HDx% 1.0 1.80 6.97 465 311 A 53 LYS HEy A 28 LEU HDy% 1.0 1.80 6.97 466 312 A 57 LYS HA A 28 LEU HDx% 1.0 1.80 6.95 467 312 A 57 LYS HA A 28 LEU HDy% 1.0 1.80 6.95 468 313 A 28 LEU HDx% A 58 GLY HAy 1.0 1.80 6.66 469 313 A 28 LEU HDy% A 58 GLY HAy 1.0 1.80 6.66 470 313 A 58 GLY HAx A 28 LEU HDx% 1.0 1.80 6.66 471 313 A 58 GLY HAx A 28 LEU HDy% 1.0 1.80 6.66 472 314 A 58 GLY H A 28 LEU HDx% 1.0 1.80 6.02 473 314 A 58 GLY H A 28 LEU HDy% 1.0 1.80 6.02 474 315 A 29 SER H A 28 LEU HG 1.0 1.80 4.10 475 316 A 28 LEU HG A 58 GLY HAy 1.0 1.80 5.19 476 316 A 58 GLY HAx A 28 LEU HG 1.0 1.80 5.19 477 317 A 28 LEU H A 28 LEU HBy 1.0 1.80 4.03 478 318 A 28 LEU H A 28 LEU HBx 1.0 1.80 4.18 479 319 A 28 LEU H A 28 LEU HDx% 1.0 1.80 6.93 480 319 A 28 LEU H A 28 LEU HDy% 1.0 1.80 6.93 481 320 A 28 LEU H A 28 LEU HG 1.0 1.80 4.79 482 321 A 28 LEU H A 29 SER H 1.0 1.80 4.67 483 322 A 28 LEU H A 59 ILE HG1y 1.0 1.80 6.19 484 322 A 28 LEU H A 59 ILE HG1x 1.0 1.80 6.19 485 323 A 28 LEU H A 59 ILE H 1.0 1.80 4.37 486 324 A 30 LEU H A 29 SER HA 1.0 1.80 3.00 487 325 A 30 LEU H A 29 SER HBx 1.0 1.80 4.45 488 325 A 30 LEU H A 29 SER HBy 1.0 1.80 4.45 489 326 A 29 SER H A 29 SER HBy 1.0 1.80 3.76 490 327 A 29 SER H A 29 SER HBx 1.0 1.80 3.76 491 328 A 29 SER H A 29 SER HBx 1.0 1.80 3.88 492 328 A 29 SER H A 29 SER HBy 1.0 1.80 3.88 493 329 A 30 LEU H A 29 SER H 1.0 1.80 4.92 494 330 A 2 THR HA A 2 THR HG2% 1.0 1.80 4.96 495 331 A 2 THR HG2% A 2 THR H 1.0 1.80 5.87 496 332 A 30 LEU HA A 30 LEU HDx% 1.0 1.80 5.36 497 333 A 30 LEU HA A 30 LEU HDy% 1.0 1.80 5.36 498 334 A 30 LEU HA A 30 LEU HDx% 1.0 1.80 5.17 499 334 A 30 LEU HA A 30 LEU HDy% 1.0 1.80 5.17 500 335 A 31 GLN H A 30 LEU HA 1.0 1.80 3.56 501 336 A 50 THR HG2% A 30 LEU HA 1.0 1.80 5.29 502 337 A 30 LEU HDx% A 30 LEU HBy 1.0 1.80 5.10 503 338 A 30 LEU HBy A 30 LEU HDy% 1.0 1.80 5.10 504 339 A 30 LEU HBx A 30 LEU HDx% 1.0 1.80 5.10 505 340 A 30 LEU HBx A 30 LEU HDy% 1.0 1.80 5.10 506 341 A 31 GLN H A 30 LEU HBy 1.0 1.80 4.71 507 341 A 30 LEU HBx A 31 GLN H 1.0 1.80 4.71 508 342 A 31 GLN H A 30 LEU HDx% 1.0 1.80 5.79 509 342 A 31 GLN H A 30 LEU HDy% 1.0 1.80 5.79 510 343 A 34 ASP HBy A 30 LEU HDx% 1.0 1.80 6.76 511 343 A 34 ASP HBy A 30 LEU HDy% 1.0 1.80 6.76 512 344 A 34 ASP HBx A 30 LEU HDx% 1.0 1.80 6.54 513 344 A 34 ASP HBx A 30 LEU HDy% 1.0 1.80 6.54 514 345 A 34 ASP H A 30 LEU HDx% 1.0 1.80 7.54 515 345 A 34 ASP H A 30 LEU HDy% 1.0 1.80 7.54 516 346 A 30 LEU HDy% A 36 VAL HGx% 1.0 1.80 7.63 517 346 A 30 LEU HDx% A 36 VAL HGy% 1.0 1.80 7.63 518 346 A 36 VAL HGy% A 30 LEU HDy% 1.0 1.80 7.63 519 346 A 30 LEU HDx% A 36 VAL HGx% 1.0 1.80 7.63 520 347 A 50 THR HG2% A 30 LEU HDx% 1.0 1.80 6.24 521 347 A 50 THR HG2% A 30 LEU HDy% 1.0 1.80 6.24 522 348 A 30 LEU HDy% A 60 PHE HBy 1.0 1.80 6.61 523 348 A 30 LEU HDx% A 60 PHE HBy 1.0 1.80 6.61 524 348 A 60 PHE HBx A 30 LEU HDx% 1.0 1.80 6.61 525 348 A 60 PHE HBx A 30 LEU HDy% 1.0 1.80 6.61 526 349 A 65 ILE HD1% A 30 LEU HDx% 1.0 1.80 7.25 527 349 A 65 ILE HD1% A 30 LEU HDy% 1.0 1.80 7.25 528 350 A 30 LEU HG A 60 PHE HBy 1.0 1.80 6.22 529 350 A 30 LEU HG A 60 PHE HBx 1.0 1.80 6.22 530 351 A 30 LEU H A 30 LEU HBy 1.0 1.80 4.40 531 351 A 30 LEU HBx A 30 LEU H 1.0 1.80 4.40 532 352 A 30 LEU H A 30 LEU HDx% 1.0 1.80 5.68 533 353 A 30 LEU H A 30 LEU HDy% 1.0 1.80 5.68 534 354 A 30 LEU H A 30 LEU HDx% 1.0 1.80 6.03 535 354 A 30 LEU H A 30 LEU HDy% 1.0 1.80 6.03 536 355 A 30 LEU H A 30 LEU HG 1.0 1.80 4.76 537 356 A 31 GLN HA A 31 GLN HGx 1.0 1.80 4.46 538 356 A 31 GLN HA A 31 GLN HGy 1.0 1.80 4.46 539 357 A 31 GLN HA A 32 ILE H 1.0 1.80 2.81 540 358 A 32 ILE H A 31 GLN HBy 1.0 1.80 3.64 541 359 A 32 ILE H A 31 GLN HBx 1.0 1.80 4.35 542 360 A 34 ASP H A 31 GLN HBx 1.0 1.80 4.82 543 361 A 32 ILE H A 31 GLN HGx 1.0 1.80 5.35 544 361 A 32 ILE H A 31 GLN HGy 1.0 1.80 5.35 545 362 A 31 GLN H A 31 GLN HBy 1.0 1.80 3.98 546 363 A 31 GLN H A 31 GLN HBx 1.0 1.80 3.38 547 364 A 31 GLN H A 31 GLN HGx 1.0 1.80 4.57 548 364 A 31 GLN H A 31 GLN HGy 1.0 1.80 4.57 549 365 A 31 GLN H A 32 ILE H 1.0 1.80 4.64 550 366 A 31 GLN H A 34 ASP HBy 1.0 1.80 4.11 551 367 A 31 GLN H A 34 ASP HBx 1.0 1.80 4.01 552 368 A 34 ASP H A 31 GLN H 1.0 1.80 4.79 553 369 A 31 GLN H A 50 THR HG2% 1.0 1.80 6.13 554 370 A 32 ILE HA A 32 ILE HD1% 1.0 1.80 5.24 555 371 A 32 ILE HA A 32 ILE HG1y 1.0 1.80 3.97 556 372 A 32 ILE HA A 32 ILE HG1x 1.0 1.80 3.76 557 373 A 32 ILE HA A 32 ILE HG2% 1.0 1.80 4.29 558 374 A 32 ILE HA A 33 GLY H 1.0 1.80 2.82 559 375 A 32 ILE HA A 34 ASP H 1.0 1.80 3.86 560 376 A 32 ILE HD1% A 32 ILE HB 1.0 1.80 4.61 561 377 A 33 GLY H A 32 ILE HB 1.0 1.80 4.40 562 378 A 33 GLY H A 32 ILE HG1y 1.0 1.80 5.22 563 379 A 33 GLY H A 32 ILE HG1x 1.0 1.80 4.52 564 380 A 32 ILE HG2% A 32 ILE HD1% 1.0 1.80 4.67 565 381 A 32 ILE HG2% A 32 ILE HG1y 1.0 1.80 4.93 566 382 A 32 ILE HG2% A 32 ILE HG1x 1.0 1.80 4.53 567 383 A 32 ILE HG2% A 33 GLY HAx 1.0 1.80 5.73 568 383 A 33 GLY HAy A 32 ILE HG2% 1.0 1.80 5.73 569 384 A 33 GLY H A 32 ILE HG2% 1.0 1.80 4.51 570 385 A 34 ASP H A 32 ILE HG2% 1.0 1.80 5.49 571 386 A 32 ILE H A 32 ILE HB 1.0 1.80 3.21 572 387 A 32 ILE HD1% A 32 ILE H 1.0 1.80 4.95 573 388 A 32 ILE H A 32 ILE HG1y 1.0 1.80 3.74 574 389 A 32 ILE H A 32 ILE HG1x 1.0 1.80 3.57 575 390 A 32 ILE HG2% A 32 ILE H 1.0 1.80 4.86 576 391 A 33 GLY H A 32 ILE H 1.0 1.80 4.61 577 392 A 33 GLY H A 34 ASP H 1.0 1.80 3.71 578 393 A 34 ASP HA A 35 THR H 1.0 1.80 2.82 579 394 A 34 ASP HBy A 35 THR H 1.0 1.80 3.89 580 395 A 34 ASP HBy A 50 THR HG2% 1.0 1.80 5.01 581 396 A 34 ASP HBx A 35 THR H 1.0 1.80 4.29 582 397 A 34 ASP HBx A 50 THR HG2% 1.0 1.80 5.12 583 398 A 34 ASP H A 34 ASP HBy 1.0 1.80 3.65 584 399 A 34 ASP H A 34 ASP HBx 1.0 1.80 2.97 585 400 A 34 ASP H A 35 THR H 1.0 1.80 4.72 586 401 A 34 ASP H A 50 THR HG2% 1.0 1.80 6.52 587 402 A 35 THR HG2% A 35 THR HA 1.0 1.80 4.26 588 403 A 36 VAL H A 35 THR HA 1.0 1.80 3.07 589 404 A 36 VAL H A 35 THR HB 1.0 1.80 4.39 590 405 A 35 THR HB A 51 LEU HBy 1.0 1.80 5.27 591 405 A 35 THR HB A 51 LEU HBx 1.0 1.80 5.27 592 406 A 35 THR HB A 51 LEU HDx% 1.0 1.80 5.68 593 407 A 35 THR HB A 51 LEU HDy% 1.0 1.80 5.68 594 408 A 35 THR HB A 51 LEU HDx% 1.0 1.80 5.59 595 408 A 35 THR HB A 51 LEU HDy% 1.0 1.80 5.59 596 409 A 35 THR HB A 51 LEU HG 1.0 1.80 4.14 597 410 A 35 THR HB A 51 LEU H 1.0 1.80 4.50 598 411 A 35 THR HG2% A 36 VAL HB 1.0 1.80 6.52 599 412 A 35 THR HG2% A 36 VAL H 1.0 1.80 4.60 600 413 A 35 THR HG2% A 51 LEU HBy 1.0 1.80 6.13 601 413 A 35 THR HG2% A 51 LEU HBx 1.0 1.80 6.13 602 414 A 35 THR HG2% A 51 LEU HDx% 1.0 1.80 7.72 603 414 A 35 THR HG2% A 51 LEU HDy% 1.0 1.80 7.72 604 415 A 35 THR HG2% A 51 LEU HG 1.0 1.80 4.94 605 416 A 35 THR H A 35 THR HB 1.0 1.80 3.43 606 417 A 35 THR HG2% A 35 THR H 1.0 1.80 5.23 607 418 A 36 VAL H A 35 THR H 1.0 1.80 4.71 608 419 A 35 THR H A 51 LEU HDx% 1.0 1.80 6.82 609 419 A 35 THR H A 51 LEU HDy% 1.0 1.80 6.82 610 420 A 36 VAL HA A 36 VAL HGx% 1.0 1.80 5.18 611 421 A 36 VAL HA A 36 VAL HGy% 1.0 1.80 5.18 612 422 A 36 VAL HA A 36 VAL HGy% 1.0 1.80 5.16 613 422 A 36 VAL HA A 36 VAL HGx% 1.0 1.80 5.16 614 423 A 37 HIS H A 36 VAL HA 1.0 1.80 3.36 615 424 A 37 HIS H A 36 VAL HB 1.0 1.80 4.44 616 425 A 36 VAL HB A 50 THR HA 1.0 1.80 4.48 617 426 A 50 THR HG2% A 36 VAL HB 1.0 1.80 5.52 618 427 A 37 HIS H A 36 VAL HGx% 1.0 1.80 5.46 619 428 A 50 THR HA A 36 VAL HGx% 1.0 1.80 5.90 620 429 A 65 ILE HD1% A 36 VAL HGx% 1.0 1.80 6.13 621 430 A 37 HIS H A 36 VAL HGy% 1.0 1.80 5.46 622 431 A 50 THR HA A 36 VAL HGy% 1.0 1.80 5.90 623 432 A 65 ILE HD1% A 36 VAL HGy% 1.0 1.80 6.13 624 433 A 37 HIS H A 36 VAL HGy% 1.0 1.80 5.77 625 433 A 37 HIS H A 36 VAL HGx% 1.0 1.80 5.77 626 434 A 38 ILE HD1% A 36 VAL HGy% 1.0 1.80 6.85 627 434 A 38 ILE HD1% A 36 VAL HGx% 1.0 1.80 6.85 628 435 A 36 VAL HGy% A 38 ILE HG1y 1.0 1.80 6.96 629 435 A 36 VAL HGx% A 38 ILE HG1y 1.0 1.80 6.96 630 435 A 38 ILE HG1x A 36 VAL HGy% 1.0 1.80 6.96 631 435 A 38 ILE HG1x A 36 VAL HGx% 1.0 1.80 6.96 632 436 A 50 THR HA A 36 VAL HGy% 1.0 1.80 5.59 633 436 A 50 THR HA A 36 VAL HGx% 1.0 1.80 5.59 634 437 A 50 THR HB A 36 VAL HGy% 1.0 1.80 6.74 635 437 A 50 THR HB A 36 VAL HGx% 1.0 1.80 6.74 636 438 A 50 THR HG2% A 36 VAL HGy% 1.0 1.80 6.28 637 438 A 50 THR HG2% A 36 VAL HGx% 1.0 1.80 6.28 638 439 A 50 THR H A 36 VAL HGy% 1.0 1.80 6.68 639 439 A 50 THR H A 36 VAL HGx% 1.0 1.80 6.68 640 440 A 51 LEU H A 36 VAL HGy% 1.0 1.80 6.59 641 440 A 51 LEU H A 36 VAL HGx% 1.0 1.80 6.59 642 441 A 65 ILE HD1% A 36 VAL HGy% 1.0 1.80 6.09 643 441 A 65 ILE HD1% A 36 VAL HGx% 1.0 1.80 6.09 644 442 A 65 ILE HG2% A 36 VAL HGy% 1.0 1.80 6.82 645 442 A 65 ILE HG2% A 36 VAL HGx% 1.0 1.80 6.82 646 443 A 36 VAL H A 36 VAL HGx% 1.0 1.80 4.91 647 444 A 36 VAL H A 36 VAL HGy% 1.0 1.80 4.91 648 445 A 36 VAL H A 36 VAL HGy% 1.0 1.80 5.19 649 445 A 36 VAL H A 36 VAL HGx% 1.0 1.80 5.19 650 446 A 37 HIS H A 36 VAL H 1.0 1.80 5.14 651 447 A 36 VAL H A 51 LEU HDx% 1.0 1.80 7.42 652 447 A 36 VAL H A 51 LEU HDy% 1.0 1.80 7.42 653 448 A 37 HIS HBy A 51 LEU HDx% 1.0 1.80 6.52 654 449 A 37 HIS HBy A 51 LEU HDy% 1.0 1.80 6.52 655 450 A 51 LEU HDx% A 37 HIS HBx 1.0 1.80 6.52 656 451 A 37 HIS HBx A 51 LEU HDy% 1.0 1.80 6.52 657 452 A 37 HIS HBy A 51 LEU HDx% 1.0 1.80 6.77 658 452 A 37 HIS HBx A 51 LEU HDy% 1.0 1.80 6.77 659 452 A 37 HIS HBy A 51 LEU HDy% 1.0 1.80 6.77 660 452 A 51 LEU HDx% A 37 HIS HBx 1.0 1.80 6.77 661 453 A 37 HIS H A 37 HIS HBy 1.0 1.80 3.93 662 454 A 37 HIS H A 37 HIS HBx 1.0 1.80 3.93 663 455 A 37 HIS H A 37 HIS HBx 1.0 1.80 4.24 664 455 A 37 HIS H A 37 HIS HBy 1.0 1.80 4.24 665 456 A 37 HIS H A 49 TYR HD% 1.0 1.80 6.62 666 457 A 37 HIS H A 49 TYR HE% 1.0 1.80 7.48 667 458 A 37 HIS H A 49 TYR H 1.0 1.80 4.10 668 459 A 37 HIS H A 50 THR HA 1.0 1.80 3.29 669 460 A 38 ILE HD1% A 38 ILE HA 1.0 1.80 5.57 670 461 A 38 ILE HA A 38 ILE HG2% 1.0 1.80 4.99 671 462 A 38 ILE HA A 39 LEU H 1.0 1.80 3.17 672 463 A 38 ILE HA A 40 GLU H 1.0 1.80 4.53 673 464 A 38 ILE HA A 48 GLY HAy 1.0 1.80 4.21 674 465 A 38 ILE HA A 48 GLY HAx 1.0 1.80 4.21 675 466 A 38 ILE HD1% A 65 ILE HD1% 1.0 1.80 7.04 676 467 A 38 ILE HD1% A 65 ILE HG1y 1.0 1.80 6.68 677 467 A 38 ILE HD1% A 65 ILE HG1x 1.0 1.80 6.68 678 468 A 38 ILE HD1% A 65 ILE HG2% 1.0 1.80 5.73 679 469 A 38 ILE HD1% A 67 LEU HDx% 1.0 1.80 6.45 680 469 A 38 ILE HD1% A 67 LEU HDy% 1.0 1.80 6.45 681 470 A 38 ILE HD1% A 38 ILE HG2% 1.0 1.80 5.72 682 471 A 38 ILE HG2% A 39 LEU H 1.0 1.80 5.06 683 472 A 38 ILE HG2% A 40 GLU H 1.0 1.80 4.62 684 473 A 38 ILE HG2% A 41 THR HG2% 1.0 1.80 6.14 685 474 A 38 ILE HG2% A 46 TYR HBy 1.0 1.80 5.34 686 475 A 38 ILE HG2% A 46 TYR HBx 1.0 1.80 5.34 687 476 A 38 ILE HG2% A 46 TYR HBy 1.0 1.80 5.64 688 476 A 38 ILE HG2% A 46 TYR HBx 1.0 1.80 5.64 689 477 A 38 ILE HG2% A 47 ARG H 1.0 1.80 5.24 690 478 A 38 ILE H A 38 ILE HB 1.0 1.80 3.67 691 479 A 38 ILE H A 38 ILE HD1% 1.0 1.80 5.33 692 480 A 38 ILE H A 38 ILE HG1y 1.0 1.80 4.14 693 481 A 38 ILE HG1x A 38 ILE H 1.0 1.80 4.14 694 482 A 38 ILE H A 38 ILE HG1y 1.0 1.80 4.41 695 482 A 38 ILE HG1x A 38 ILE H 1.0 1.80 4.41 696 483 A 38 ILE H A 38 ILE HG2% 1.0 1.80 5.26 697 484 A 39 LEU HA A 39 LEU HDx% 1.0 1.80 5.68 698 485 A 39 LEU HA A 39 LEU HDy% 1.0 1.80 5.68 699 486 A 39 LEU HA A 39 LEU HDx% 1.0 1.80 5.28 700 486 A 39 LEU HA A 39 LEU HDy% 1.0 1.80 5.28 701 487 A 40 GLU H A 39 LEU HBy 1.0 1.80 4.16 702 488 A 40 GLU H A 39 LEU HBx 1.0 1.80 4.16 703 489 A 39 LEU HBx A 40 GLU HBx 1.0 1.80 6.52 704 489 A 39 LEU HBy A 40 GLU HBx 1.0 1.80 6.52 705 489 A 40 GLU HBy A 39 LEU HBy 1.0 1.80 6.52 706 489 A 39 LEU HBx A 40 GLU HBy 1.0 1.80 6.52 707 490 A 40 GLU H A 39 LEU HBy 1.0 1.80 4.31 708 490 A 40 GLU H A 39 LEU HBx 1.0 1.80 4.31 709 491 A 39 LEU HBx A 48 GLY HAy 1.0 1.80 5.81 710 491 A 39 LEU HBy A 48 GLY HAy 1.0 1.80 5.81 711 491 A 48 GLY HAx A 39 LEU HBy 1.0 1.80 5.81 712 491 A 39 LEU HBx A 48 GLY HAx 1.0 1.80 5.81 713 492 A 49 TYR H A 39 LEU HBy 1.0 1.80 6.10 714 492 A 49 TYR H A 39 LEU HBx 1.0 1.80 6.10 715 493 A 57 LYS HGy A 39 LEU HDx% 1.0 1.80 7.40 716 493 A 39 LEU HDx% A 57 LYS HGx 1.0 1.80 7.40 717 494 A 57 LYS HGy A 39 LEU HDy% 1.0 1.80 7.40 718 494 A 39 LEU HDy% A 57 LYS HGx 1.0 1.80 7.40 719 495 A 40 GLU H A 39 LEU HDx% 1.0 1.80 6.88 720 495 A 40 GLU H A 39 LEU HDy% 1.0 1.80 6.88 721 496 A 39 LEU HDx% A 48 GLY HAy 1.0 1.80 6.89 722 496 A 39 LEU HDy% A 48 GLY HAy 1.0 1.80 6.89 723 496 A 48 GLY HAx A 39 LEU HDx% 1.0 1.80 6.89 724 496 A 48 GLY HAx A 39 LEU HDy% 1.0 1.80 6.89 725 497 A 49 TYR H A 39 LEU HDx% 1.0 1.80 6.99 726 497 A 49 TYR H A 39 LEU HDy% 1.0 1.80 6.99 727 498 A 39 LEU HDx% A 57 LYS HDx 1.0 1.80 7.34 728 498 A 39 LEU HDy% A 57 LYS HDx 1.0 1.80 7.34 729 498 A 57 LYS HDy A 39 LEU HDx% 1.0 1.80 7.34 730 498 A 57 LYS HDy A 39 LEU HDy% 1.0 1.80 7.34 731 499 A 39 LEU HDy% A 57 LYS HEy 1.0 1.80 7.17 732 499 A 39 LEU HDx% A 57 LYS HEy 1.0 1.80 7.17 733 499 A 57 LYS HEx A 39 LEU HDx% 1.0 1.80 7.17 734 499 A 57 LYS HEx A 39 LEU HDy% 1.0 1.80 7.17 735 500 A 39 LEU HDx% A 57 LYS HGx 1.0 1.80 7.15 736 500 A 39 LEU HDy% A 57 LYS HGx 1.0 1.80 7.15 737 500 A 57 LYS HGy A 39 LEU HDx% 1.0 1.80 7.15 738 500 A 57 LYS HGy A 39 LEU HDy% 1.0 1.80 7.15 739 501 A 39 LEU HG A 48 GLY HAy 1.0 1.80 5.60 740 501 A 48 GLY HAx A 39 LEU HG 1.0 1.80 5.60 741 502 A 39 LEU H A 39 LEU HBy 1.0 1.80 4.17 742 502 A 39 LEU H A 39 LEU HBx 1.0 1.80 4.17 743 503 A 39 LEU H A 39 LEU HDx% 1.0 1.80 5.48 744 504 A 39 LEU H A 39 LEU HDy% 1.0 1.80 5.48 745 505 A 39 LEU H A 40 GLU H 1.0 1.80 3.17 746 506 A 39 LEU H A 47 ARG H 1.0 1.80 5.06 747 507 A 39 LEU H A 48 GLY HAy 1.0 1.80 4.18 748 508 A 39 LEU H A 48 GLY HAx 1.0 1.80 4.18 749 509 A 49 TYR H A 39 LEU H 1.0 1.80 5.39 750 510 A 3 ARG HA A 3 ARG HDx 1.0 1.80 5.16 751 510 A 3 ARG HA A 3 ARG HDy 1.0 1.80 5.16 752 511 A 3 ARG HA A 3 ARG HGx 1.0 1.80 4.66 753 511 A 3 ARG HA A 3 ARG HGy 1.0 1.80 4.66 754 512 A 3 ARG HDy A 3 ARG HBy 1.0 1.80 5.07 755 512 A 3 ARG HBy A 3 ARG HDx 1.0 1.80 5.07 756 513 A 3 ARG HDy A 3 ARG HBx 1.0 1.80 5.07 757 513 A 3 ARG HBx A 3 ARG HDx 1.0 1.80 5.07 758 514 A 40 GLU H A 40 GLU HBy 1.0 1.80 3.98 759 515 A 40 GLU H A 40 GLU HBx 1.0 1.80 3.98 760 516 A 40 GLU H A 47 ARG HA 1.0 1.80 5.24 761 517 A 40 GLU H A 47 ARG HGx 1.0 1.80 5.34 762 517 A 40 GLU H A 47 ARG HGy 1.0 1.80 5.34 763 518 A 40 GLU H A 47 ARG H 1.0 1.80 4.06 764 519 A 40 GLU H A 48 GLY HAy 1.0 1.80 4.75 765 520 A 40 GLU H A 48 GLY HAx 1.0 1.80 4.75 766 521 A 40 GLU H A 48 GLY HAy 1.0 1.80 4.85 767 521 A 40 GLU H A 48 GLY HAx 1.0 1.80 4.85 768 522 A 41 THR HG2% A 46 TYR HBy 1.0 1.80 6.68 769 522 A 41 THR HG2% A 46 TYR HBx 1.0 1.80 6.68 770 523 A 42 TYR H A 43 GLU H 1.0 1.48 2.90 771 524 A 43 GLU H A 44 GLY H 1.0 2.08 3.50 772 525 A 44 GLY H A 45 TRP H 1.0 1.48 2.90 773 526 A 44 GLY H A 43 GLU HBx 1.0 1.80 5.51 774 526 A 44 GLY H A 43 GLU HBy 1.0 1.80 5.51 775 527 A 62 ALA HB% A 44 GLY HAy 1.0 1.80 6.12 776 528 A 62 ALA HB% A 44 GLY HAx 1.0 1.80 6.12 777 529 A 62 ALA HB% A 44 GLY HAy 1.0 1.80 6.14 778 529 A 62 ALA HB% A 44 GLY HAx 1.0 1.80 6.14 779 530 A 45 TRP HA A 61 PRO HA 1.0 1.80 3.74 780 531 A 45 TRP HA A 62 ALA H 1.0 1.80 4.05 781 532 A 47 ARG H A 46 TYR HA 1.0 1.80 3.54 782 533 A 47 ARG H A 46 TYR HBy 1.0 1.80 4.42 783 534 A 46 TYR HBx A 47 ARG H 1.0 1.80 4.42 784 535 A 47 ARG H A 46 TYR HBy 1.0 1.80 4.57 785 535 A 46 TYR HBx A 47 ARG H 1.0 1.80 4.57 786 536 A 47 ARG H A 46 TYR HD% 1.0 1.80 6.24 787 537 A 47 ARG HA A 47 ARG HGx 1.0 1.80 4.98 788 537 A 47 ARG HA A 47 ARG HGy 1.0 1.80 4.98 789 538 A 47 ARG HA A 48 GLY H 1.0 1.80 3.15 790 539 A 47 ARG HA A 59 ILE HA 1.0 1.80 3.36 791 540 A 47 ARG HA A 59 ILE HG2% 1.0 1.80 4.94 792 541 A 48 GLY H A 47 ARG HBx 1.0 1.80 4.99 793 541 A 48 GLY H A 47 ARG HBy 1.0 1.80 4.99 794 542 A 48 GLY H A 47 ARG HGx 1.0 1.80 5.29 795 542 A 47 ARG HGy A 48 GLY H 1.0 1.80 5.29 796 543 A 59 ILE HG2% A 47 ARG HGx 1.0 1.80 6.87 797 543 A 47 ARG HGy A 59 ILE HG2% 1.0 1.80 6.87 798 544 A 47 ARG H A 47 ARG HBx 1.0 1.80 4.77 799 544 A 47 ARG H A 47 ARG HBy 1.0 1.80 4.77 800 545 A 47 ARG H A 47 ARG HGx 1.0 1.80 4.98 801 545 A 47 ARG H A 47 ARG HGy 1.0 1.80 4.98 802 546 A 47 ARG H A 48 GLY H 1.0 1.80 4.95 803 547 A 47 ARG H A 59 ILE HB 1.0 1.80 5.50 804 548 A 49 TYR H A 48 GLY H 1.0 1.80 4.68 805 549 A 48 GLY H A 59 ILE HA 1.0 1.80 4.07 806 550 A 48 GLY H A 59 ILE HG2% 1.0 1.80 5.44 807 551 A 50 THR HG2% A 49 TYR HA 1.0 1.80 5.67 808 552 A 49 TYR HA A 50 THR H 1.0 1.80 3.23 809 553 A 50 THR H A 49 TYR HBy 1.0 1.80 4.15 810 554 A 54 LYS HA A 49 TYR HBy 1.0 1.80 4.74 811 555 A 57 LYS HA A 49 TYR HBy 1.0 1.80 4.15 812 556 A 50 THR H A 49 TYR HBx 1.0 1.80 4.15 813 557 A 49 TYR HBx A 54 LYS HA 1.0 1.80 4.74 814 558 A 49 TYR HBx A 57 LYS HA 1.0 1.80 4.15 815 559 A 50 THR H A 49 TYR HBy 1.0 1.80 4.33 816 559 A 50 THR H A 49 TYR HBx 1.0 1.80 4.33 817 560 A 54 LYS HA A 49 TYR HBy 1.0 1.80 4.75 818 560 A 49 TYR HBx A 54 LYS HA 1.0 1.80 4.75 819 561 A 57 LYS HA A 49 TYR HBy 1.0 1.80 4.52 820 561 A 49 TYR HBx A 57 LYS HA 1.0 1.80 4.52 821 562 A 58 GLY H A 49 TYR HBy 1.0 1.80 5.48 822 562 A 58 GLY H A 49 TYR HBx 1.0 1.80 5.48 823 563 A 50 THR H A 49 TYR HD% 1.0 1.80 6.17 824 564 A 49 TYR HD% A 49 TYR H 1.0 1.80 6.36 825 565 A 49 TYR HE% A 49 TYR H 1.0 1.80 7.08 826 566 A 4 TRP H A 4 TRP HBy 1.0 1.80 4.19 827 567 A 4 TRP H A 4 TRP HBx 1.0 1.80 4.19 828 568 A 50 THR HG2% A 50 THR HA 1.0 1.80 4.20 829 569 A 50 THR HA A 51 LEU HDx% 1.0 1.80 7.16 830 569 A 50 THR HA A 51 LEU HDy% 1.0 1.80 7.16 831 570 A 51 LEU H A 50 THR HA 1.0 1.80 2.81 832 571 A 50 THR HA A 52 ARG H 1.0 1.80 4.33 833 572 A 51 LEU H A 50 THR HB 1.0 1.80 3.28 834 573 A 50 THR HB A 52 ARG HGx 1.0 1.80 5.49 835 573 A 50 THR HB A 52 ARG HGy 1.0 1.80 5.49 836 574 A 50 THR HB A 52 ARG H 1.0 1.80 3.65 837 575 A 50 THR HB A 53 LYS H 1.0 1.80 4.73 838 576 A 50 THR HG2% A 51 LEU H 1.0 1.80 4.98 839 577 A 50 THR HG2% A 52 ARG H 1.0 1.80 5.37 840 578 A 50 THR HG2% A 53 LYS HDx 1.0 1.80 7.40 841 578 A 50 THR HG2% A 53 LYS HDy 1.0 1.80 7.40 842 579 A 50 THR HG2% A 53 LYS H 1.0 1.80 5.81 843 580 A 50 THR HG2% A 50 THR H 1.0 1.80 4.58 844 581 A 50 THR H A 51 LEU H 1.0 1.80 4.76 845 582 A 50 THR H A 57 LYS HA 1.0 1.80 5.50 846 583 A 51 LEU HA A 51 LEU HDx% 1.0 1.80 5.08 847 584 A 51 LEU HA A 51 LEU HDy% 1.0 1.80 5.08 848 585 A 51 LEU HA A 51 LEU HDx% 1.0 1.80 5.14 849 585 A 51 LEU HA A 51 LEU HDy% 1.0 1.80 5.14 850 586 A 51 LEU HG A 51 LEU HA 1.0 1.80 3.85 851 587 A 51 LEU HA A 54 LYS HBx 1.0 1.80 6.21 852 587 A 51 LEU HA A 54 LYS HBy 1.0 1.80 6.21 853 588 A 51 LEU HA A 54 LYS HEx 1.0 1.80 5.01 854 588 A 51 LEU HA A 54 LYS HEy 1.0 1.80 5.01 855 589 A 51 LEU HA A 54 LYS HGx 1.0 1.80 4.84 856 589 A 51 LEU HA A 54 LYS HGy 1.0 1.80 4.84 857 590 A 52 ARG H A 51 LEU HBy 1.0 1.80 3.67 858 591 A 51 LEU HBx A 52 ARG H 1.0 1.80 3.67 859 592 A 52 ARG H A 51 LEU HDx% 1.0 1.80 6.52 860 593 A 52 ARG H A 51 LEU HDy% 1.0 1.80 6.52 861 594 A 52 ARG H A 51 LEU HDx% 1.0 1.80 6.94 862 594 A 52 ARG H A 51 LEU HDy% 1.0 1.80 6.94 863 595 A 51 LEU HDx% A 54 LYS HEx 1.0 1.80 6.92 864 595 A 51 LEU HDy% A 54 LYS HEx 1.0 1.80 6.92 865 595 A 54 LYS HEy A 51 LEU HDx% 1.0 1.80 6.92 866 595 A 54 LYS HEy A 51 LEU HDy% 1.0 1.80 6.92 867 596 A 51 LEU H A 51 LEU HBy 1.0 1.80 3.69 868 597 A 51 LEU HBx A 51 LEU H 1.0 1.80 3.69 869 598 A 51 LEU H A 51 LEU HBy 1.0 1.80 4.02 870 598 A 51 LEU HBx A 51 LEU H 1.0 1.80 4.02 871 599 A 51 LEU H A 51 LEU HDx% 1.0 1.80 5.07 872 600 A 51 LEU H A 51 LEU HDy% 1.0 1.80 5.07 873 601 A 51 LEU H A 51 LEU HDx% 1.0 1.80 5.60 874 601 A 51 LEU H A 51 LEU HDy% 1.0 1.80 5.60 875 602 A 51 LEU H A 52 ARG H 1.0 1.80 3.62 876 603 A 51 LEU H A 53 LYS H 1.0 1.80 4.95 877 604 A 52 ARG HA A 52 ARG HDx 1.0 1.80 5.47 878 604 A 52 ARG HA A 52 ARG HDy 1.0 1.80 5.47 879 605 A 52 ARG HA A 52 ARG HGx 1.0 1.80 4.41 880 605 A 52 ARG HGy A 52 ARG HA 1.0 1.80 4.41 881 606 A 52 ARG HBy A 52 ARG HDx 1.0 1.80 4.92 882 606 A 52 ARG HBx A 52 ARG HDx 1.0 1.80 4.92 883 606 A 52 ARG HDy A 52 ARG HBx 1.0 1.80 4.92 884 606 A 52 ARG HDy A 52 ARG HBy 1.0 1.80 4.92 885 607 A 52 ARG HBy A 52 ARG HGx 1.0 1.80 4.40 886 607 A 52 ARG HBx A 52 ARG HGx 1.0 1.80 4.40 887 607 A 52 ARG HGy A 52 ARG HBx 1.0 1.80 4.40 888 607 A 52 ARG HGy A 52 ARG HBy 1.0 1.80 4.40 889 608 A 53 LYS H A 52 ARG HBx 1.0 1.80 4.28 890 608 A 53 LYS H A 52 ARG HBy 1.0 1.80 4.28 891 609 A 53 LYS H A 52 ARG HGx 1.0 1.80 5.12 892 609 A 52 ARG HGy A 53 LYS H 1.0 1.80 5.12 893 610 A 52 ARG H A 52 ARG HBx 1.0 1.80 4.07 894 610 A 52 ARG H A 52 ARG HBy 1.0 1.80 4.07 895 611 A 52 ARG H A 52 ARG HGx 1.0 1.80 4.31 896 611 A 52 ARG H A 52 ARG HGy 1.0 1.80 4.31 897 612 A 52 ARG H A 53 LYS H 1.0 1.80 3.40 898 613 A 53 LYS HA A 53 LYS HDx 1.0 1.80 5.18 899 613 A 53 LYS HDy A 53 LYS HA 1.0 1.80 5.18 900 614 A 53 LYS HA A 53 LYS HGx 1.0 1.80 4.37 901 614 A 53 LYS HA A 53 LYS HGy 1.0 1.80 4.37 902 615 A 53 LYS HA A 54 LYS H 1.0 1.80 3.32 903 616 A 53 LYS HA A 55 SER H 1.0 1.80 4.33 904 617 A 55 SER H A 53 LYS HBx 1.0 1.80 5.09 905 617 A 55 SER H A 53 LYS HBy 1.0 1.80 5.09 906 618 A 56 LYS H A 53 LYS HBx 1.0 1.80 4.09 907 618 A 53 LYS HBy A 56 LYS H 1.0 1.80 4.09 908 619 A 53 LYS HDy A 56 LYS HBx 1.0 1.80 6.36 909 619 A 53 LYS HDx A 56 LYS HBx 1.0 1.80 6.36 910 619 A 56 LYS HBy A 53 LYS HDx 1.0 1.80 6.36 911 619 A 53 LYS HDy A 56 LYS HBy 1.0 1.80 6.36 912 620 A 53 LYS HEx A 53 LYS HGx 1.0 1.80 5.94 913 620 A 53 LYS HEy A 53 LYS HGx 1.0 1.80 5.94 914 620 A 53 LYS HGy A 53 LYS HEx 1.0 1.80 5.94 915 620 A 53 LYS HEy A 53 LYS HGy 1.0 1.80 5.94 916 621 A 56 LYS H A 53 LYS HGx 1.0 1.80 5.50 917 621 A 53 LYS HGy A 56 LYS H 1.0 1.80 5.50 918 622 A 53 LYS H A 53 LYS HBx 1.0 1.80 4.47 919 622 A 53 LYS H A 53 LYS HBy 1.0 1.80 4.47 920 623 A 53 LYS H A 53 LYS HGx 1.0 1.80 4.89 921 623 A 53 LYS H A 53 LYS HGy 1.0 1.80 4.89 922 624 A 53 LYS H A 54 LYS H 1.0 1.80 4.23 923 625 A 54 LYS HA A 54 LYS HDx 1.0 1.80 5.65 924 625 A 54 LYS HA A 54 LYS HDy 1.0 1.80 5.65 925 626 A 54 LYS HA A 54 LYS HEx 1.0 1.80 5.56 926 626 A 54 LYS HA A 54 LYS HEy 1.0 1.80 5.56 927 627 A 54 LYS HA A 54 LYS HGx 1.0 1.80 4.72 928 627 A 54 LYS HA A 54 LYS HGy 1.0 1.80 4.72 929 628 A 54 LYS HBx A 54 LYS HEx 1.0 1.80 6.00 930 628 A 54 LYS HEy A 54 LYS HBx 1.0 1.80 6.00 931 628 A 54 LYS HBy A 54 LYS HEy 1.0 1.80 6.00 932 628 A 54 LYS HBy A 54 LYS HEx 1.0 1.80 6.00 933 629 A 54 LYS HBx A 54 LYS HGx 1.0 1.80 4.71 934 629 A 54 LYS HBy A 54 LYS HGx 1.0 1.80 4.71 935 629 A 54 LYS HGy A 54 LYS HBx 1.0 1.80 4.71 936 629 A 54 LYS HBy A 54 LYS HGy 1.0 1.80 4.71 937 630 A 55 SER H A 54 LYS HBx 1.0 1.80 4.63 938 630 A 54 LYS HBy A 55 SER H 1.0 1.80 4.63 939 631 A 55 SER H A 54 LYS HDx 1.0 1.80 6.38 940 631 A 55 SER H A 54 LYS HDy 1.0 1.80 6.38 941 632 A 54 LYS HDx A 54 LYS HGx 1.0 1.80 4.57 942 632 A 54 LYS HDy A 54 LYS HGx 1.0 1.80 4.57 943 632 A 54 LYS HGy A 54 LYS HDx 1.0 1.80 4.57 944 632 A 54 LYS HGy A 54 LYS HDy 1.0 1.80 4.57 945 633 A 54 LYS HEx A 54 LYS HGx 1.0 1.80 5.17 946 633 A 54 LYS HEy A 54 LYS HGx 1.0 1.80 5.17 947 633 A 54 LYS HGy A 54 LYS HEx 1.0 1.80 5.17 948 633 A 54 LYS HEy A 54 LYS HGy 1.0 1.80 5.17 949 634 A 55 SER H A 54 LYS HGx 1.0 1.80 5.44 950 634 A 54 LYS HGy A 55 SER H 1.0 1.80 5.44 951 635 A 54 LYS H A 54 LYS HBx 1.0 1.80 4.46 952 635 A 54 LYS HBy A 54 LYS H 1.0 1.80 4.46 953 636 A 54 LYS H A 54 LYS HDx 1.0 1.80 5.09 954 636 A 54 LYS H A 54 LYS HDy 1.0 1.80 5.09 955 637 A 54 LYS H A 54 LYS HGx 1.0 1.80 4.49 956 637 A 54 LYS HGy A 54 LYS H 1.0 1.80 4.49 957 638 A 54 LYS H A 55 SER H 1.0 1.80 4.34 958 639 A 54 LYS H A 56 LYS H 1.0 1.80 4.93 959 640 A 56 LYS H A 55 SER HBy 1.0 1.80 4.67 960 641 A 56 LYS H A 55 SER HBx 1.0 1.80 4.67 961 642 A 56 LYS H A 55 SER HBx 1.0 1.80 4.92 962 642 A 56 LYS H A 55 SER HBy 1.0 1.80 4.92 963 643 A 55 SER H A 55 SER HBy 1.0 1.80 3.88 964 644 A 55 SER H A 55 SER HBx 1.0 1.80 3.88 965 645 A 55 SER H A 55 SER HBx 1.0 1.80 4.26 966 645 A 55 SER H A 55 SER HBy 1.0 1.80 4.26 967 646 A 55 SER H A 56 LYS HBx 1.0 1.80 6.22 968 646 A 55 SER H A 56 LYS HBy 1.0 1.80 6.22 969 647 A 55 SER H A 56 LYS H 1.0 1.72 3.50 970 648 A 56 LYS HA A 56 LYS HDx 1.0 1.80 5.22 971 648 A 56 LYS HA A 56 LYS HDy 1.0 1.80 5.22 972 649 A 56 LYS HA A 56 LYS HGx 1.0 1.80 4.65 973 649 A 56 LYS HA A 56 LYS HGy 1.0 1.80 4.65 974 650 A 56 LYS HA A 57 LYS H 1.0 1.80 2.76 975 651 A 56 LYS HBy A 56 LYS HEy 1.0 1.80 5.31 976 651 A 56 LYS HBx A 56 LYS HEy 1.0 1.80 5.31 977 651 A 56 LYS HEx A 56 LYS HBx 1.0 1.80 5.31 978 651 A 56 LYS HBy A 56 LYS HEx 1.0 1.80 5.31 979 652 A 56 LYS HGy A 56 LYS HEy 1.0 1.80 5.12 980 652 A 56 LYS HEy A 56 LYS HGx 1.0 1.80 5.12 981 653 A 56 LYS HGy A 56 LYS HEx 1.0 1.80 5.12 982 653 A 56 LYS HEx A 56 LYS HGx 1.0 1.80 5.12 983 654 A 56 LYS HEx A 56 LYS HGx 1.0 1.80 5.29 984 654 A 56 LYS HEy A 56 LYS HGx 1.0 1.80 5.29 985 654 A 56 LYS HGy A 56 LYS HEy 1.0 1.80 5.29 986 654 A 56 LYS HGy A 56 LYS HEx 1.0 1.80 5.29 987 655 A 57 LYS H A 56 LYS HGx 1.0 1.80 4.66 988 655 A 56 LYS HGy A 57 LYS H 1.0 1.80 4.66 989 656 A 56 LYS H A 56 LYS HBy 1.0 1.80 3.31 990 657 A 56 LYS H A 56 LYS HBx 1.0 1.80 3.31 991 658 A 56 LYS H A 56 LYS HDx 1.0 1.80 5.64 992 658 A 56 LYS H A 56 LYS HDy 1.0 1.80 5.64 993 659 A 56 LYS H A 56 LYS HGx 1.0 1.80 4.94 994 659 A 56 LYS H A 56 LYS HGy 1.0 1.80 4.94 995 660 A 56 LYS H A 57 LYS H 1.0 1.80 4.65 996 661 A 57 LYS HA A 57 LYS HDx 1.0 1.80 5.42 997 661 A 57 LYS HA A 57 LYS HDy 1.0 1.80 5.42 998 662 A 57 LYS HA A 57 LYS HGx 1.0 1.80 5.04 999 662 A 57 LYS HA A 57 LYS HGy 1.0 1.80 5.04 1000 663 A 58 GLY H A 57 LYS HA 1.0 1.80 2.80 1001 664 A 58 GLY H A 57 LYS HBy 1.0 1.80 4.33 1002 665 A 58 GLY H A 57 LYS HBx 1.0 1.80 4.33 1003 666 A 58 GLY H A 57 LYS HBx 1.0 1.80 4.36 1004 666 A 58 GLY H A 57 LYS HBy 1.0 1.80 4.36 1005 667 A 58 GLY H A 57 LYS HDx 1.0 1.80 5.92 1006 667 A 58 GLY H A 57 LYS HDy 1.0 1.80 5.92 1007 668 A 57 LYS HDx A 57 LYS HGx 1.0 1.80 4.70 1008 668 A 57 LYS HDy A 57 LYS HGx 1.0 1.80 4.70 1009 668 A 57 LYS HGy A 57 LYS HDx 1.0 1.80 4.70 1010 668 A 57 LYS HGy A 57 LYS HDy 1.0 1.80 4.70 1011 669 A 58 GLY H A 57 LYS HGx 1.0 1.80 4.93 1012 669 A 58 GLY H A 57 LYS HGy 1.0 1.80 4.93 1013 670 A 57 LYS H A 57 LYS HBy 1.0 1.80 3.76 1014 671 A 57 LYS H A 57 LYS HBx 1.0 1.80 3.76 1015 672 A 57 LYS H A 57 LYS HDx 1.0 1.80 5.53 1016 672 A 57 LYS HDy A 57 LYS H 1.0 1.80 5.53 1017 673 A 57 LYS H A 57 LYS HGx 1.0 1.80 4.94 1018 673 A 57 LYS HGy A 57 LYS H 1.0 1.80 4.94 1019 674 A 58 GLY H A 57 LYS H 1.0 1.80 4.84 1020 675 A 59 ILE H A 58 GLY HAy 1.0 1.80 3.52 1021 676 A 59 ILE H A 58 GLY HAx 1.0 1.80 3.52 1022 677 A 58 GLY HAx A 59 ILE HG1y 1.0 1.80 6.79 1023 677 A 58 GLY HAy A 59 ILE HG1y 1.0 1.80 6.79 1024 677 A 59 ILE HG1x A 58 GLY HAy 1.0 1.80 6.79 1025 677 A 59 ILE HG1x A 58 GLY HAx 1.0 1.80 6.79 1026 678 A 59 ILE H A 58 GLY HAy 1.0 1.80 3.96 1027 678 A 59 ILE H A 58 GLY HAx 1.0 1.80 3.96 1028 679 A 59 ILE H A 58 GLY H 1.0 1.80 4.58 1029 680 A 59 ILE HA A 59 ILE HG2% 1.0 1.80 4.70 1030 681 A 59 ILE HB A 60 PHE H 1.0 1.80 3.92 1031 682 A 59 ILE HD1% A 59 ILE HG2% 1.0 1.80 5.77 1032 683 A 59 ILE HG2% A 60 PHE H 1.0 1.80 5.33 1033 684 A 59 ILE H A 59 ILE HD1% 1.0 1.80 5.76 1034 685 A 59 ILE H A 59 ILE HG1y 1.0 1.80 3.96 1035 686 A 59 ILE HG1x A 59 ILE H 1.0 1.80 3.96 1036 687 A 59 ILE H A 59 ILE HG1y 1.0 1.80 4.30 1037 687 A 59 ILE HG1x A 59 ILE H 1.0 1.80 4.30 1038 688 A 59 ILE H A 59 ILE HG2% 1.0 1.80 4.91 1039 689 A 5 VAL HB A 6 PRO HDx 1.0 1.80 5.37 1040 689 A 5 VAL HB A 6 PRO HDy 1.0 1.80 5.37 1041 690 A 5 VAL HGx% A 6 PRO HDx 1.0 1.80 7.55 1042 690 A 5 VAL HGy% A 6 PRO HDx 1.0 1.80 7.55 1043 690 A 6 PRO HDy A 5 VAL HGy% 1.0 1.80 7.55 1044 690 A 6 PRO HDy A 5 VAL HGx% 1.0 1.80 7.55 1045 691 A 60 PHE HA A 61 PRO HDy 1.0 1.80 3.91 1046 692 A 60 PHE HA A 61 PRO HDx 1.0 1.80 3.91 1047 693 A 60 PHE HA A 61 PRO HDx 1.0 1.80 4.27 1048 693 A 60 PHE HA A 61 PRO HDy 1.0 1.80 4.27 1049 694 A 65 ILE HD1% A 60 PHE HBy 1.0 1.80 5.99 1050 695 A 65 ILE HD1% A 60 PHE HBx 1.0 1.80 5.99 1051 696 A 60 PHE HBy A 61 PRO HDx 1.0 1.80 5.49 1052 696 A 61 PRO HDy A 60 PHE HBy 1.0 1.80 5.49 1053 696 A 60 PHE HBx A 61 PRO HDy 1.0 1.80 5.49 1054 696 A 60 PHE HBx A 61 PRO HDx 1.0 1.80 5.49 1055 697 A 65 ILE HD1% A 60 PHE HBy 1.0 1.80 6.25 1056 697 A 65 ILE HD1% A 60 PHE HBx 1.0 1.80 6.25 1057 698 A 60 PHE H A 60 PHE HD% 1.0 1.80 6.32 1058 699 A 62 ALA HB% A 61 PRO HA 1.0 1.80 6.33 1059 700 A 61 PRO HA A 62 ALA H 1.0 1.80 3.43 1060 701 A 61 PRO HA A 63 SER H 1.0 1.80 4.38 1061 702 A 63 SER H A 61 PRO HBx 1.0 1.80 4.15 1062 703 A 63 SER H A 61 PRO HBy 1.0 1.80 4.15 1063 704 A 64 TYR H A 61 PRO HBy 1.0 1.80 5.48 1064 704 A 61 PRO HBx A 64 TYR H 1.0 1.80 5.48 1065 705 A 64 TYR H A 62 ALA HA 1.0 1.80 4.88 1066 706 A 62 ALA HA A 65 ILE HB 1.0 1.80 4.75 1067 707 A 65 ILE HD1% A 62 ALA HA 1.0 1.80 6.05 1068 708 A 62 ALA HA A 65 ILE HG1y 1.0 1.80 4.70 1069 709 A 65 ILE HG1x A 62 ALA HA 1.0 1.80 4.70 1070 710 A 62 ALA HA A 65 ILE HG1y 1.0 1.80 5.01 1071 710 A 65 ILE HG1x A 62 ALA HA 1.0 1.80 5.01 1072 711 A 62 ALA HA A 65 ILE H 1.0 1.80 4.86 1073 712 A 62 ALA HB% A 63 SER H 1.0 1.80 4.36 1074 713 A 62 ALA HB% A 62 ALA H 1.0 1.80 4.44 1075 714 A 62 ALA H A 63 SER H 1.0 1.80 4.08 1076 715 A 63 SER H A 63 SER HBy 1.0 1.80 4.01 1077 716 A 63 SER H A 63 SER HBx 1.0 1.80 4.01 1078 717 A 63 SER H A 63 SER HBx 1.0 1.80 4.19 1079 717 A 63 SER H A 63 SER HBy 1.0 1.80 4.19 1080 718 A 63 SER H A 64 TYR HD% 1.0 1.80 6.71 1081 719 A 63 SER H A 64 TYR H 1.0 1.80 3.65 1082 720 A 63 SER H A 65 ILE H 1.0 1.80 4.64 1083 721 A 65 ILE HD1% A 64 TYR HBy 1.0 1.80 6.24 1084 721 A 65 ILE HD1% A 64 TYR HBx 1.0 1.80 6.24 1085 722 A 64 TYR H A 64 TYR HBy 1.0 1.80 3.90 1086 723 A 64 TYR H A 64 TYR HBx 1.0 1.80 3.90 1087 724 A 64 TYR H A 64 TYR HBy 1.0 1.80 4.15 1088 724 A 64 TYR H A 64 TYR HBx 1.0 1.80 4.15 1089 725 A 64 TYR H A 64 TYR HD% 1.0 1.80 5.96 1090 726 A 64 TYR H A 65 ILE H 1.0 1.80 3.46 1091 727 A 65 ILE HA A 65 ILE HD1% 1.0 1.80 4.34 1092 728 A 65 ILE HG2% A 65 ILE HA 1.0 1.80 4.43 1093 729 A 66 HIS H A 65 ILE HA 1.0 1.80 3.07 1094 730 A 66 HIS H A 65 ILE HB 1.0 1.80 4.10 1095 731 A 66 HIS H A 65 ILE HD1% 1.0 1.80 5.03 1096 732 A 65 ILE HG2% A 65 ILE HD1% 1.0 1.80 4.99 1097 733 A 65 ILE HG2% A 65 ILE HG1y 1.0 1.80 5.01 1098 734 A 65 ILE HG2% A 65 ILE HG1x 1.0 1.80 5.01 1099 735 A 65 ILE HG2% A 66 HIS H 1.0 1.80 4.57 1100 736 A 65 ILE HG2% A 67 LEU HA 1.0 1.80 5.37 1101 737 A 65 ILE HG2% A 67 LEU HBy 1.0 1.80 7.24 1102 737 A 65 ILE HG2% A 67 LEU HBx 1.0 1.80 7.24 1103 738 A 65 ILE HG2% A 67 LEU HG 1.0 1.80 6.52 1104 739 A 65 ILE HB A 65 ILE H 1.0 1.80 3.48 1105 740 A 65 ILE HD1% A 65 ILE H 1.0 1.80 5.38 1106 741 A 65 ILE H A 65 ILE HG1y 1.0 1.80 4.56 1107 742 A 65 ILE HG1x A 65 ILE H 1.0 1.80 4.56 1108 743 A 65 ILE H A 65 ILE HG1y 1.0 1.80 4.59 1109 743 A 65 ILE HG1x A 65 ILE H 1.0 1.80 4.59 1110 744 A 65 ILE HG2% A 65 ILE H 1.0 1.80 5.31 1111 745 A 66 HIS HA A 67 LEU H 1.0 1.80 2.93 1112 746 A 66 HIS HBy A 67 LEU H 1.0 1.80 4.55 1113 747 A 67 LEU H A 66 HIS HBx 1.0 1.80 4.55 1114 748 A 66 HIS HBy A 66 HIS H 1.0 1.80 3.69 1115 749 A 66 HIS H A 66 HIS HBx 1.0 1.80 3.69 1116 750 A 66 HIS H A 66 HIS HBx 1.0 1.80 4.07 1117 750 A 66 HIS HBy A 66 HIS H 1.0 1.80 4.07 1118 751 A 66 HIS H A 67 LEU HDx% 1.0 1.80 7.54 1119 751 A 66 HIS H A 67 LEU HDy% 1.0 1.80 7.54 1120 752 A 67 LEU HA A 67 LEU HDx% 1.0 1.80 4.98 1121 753 A 67 LEU HA A 67 LEU HDy% 1.0 1.80 4.98 1122 754 A 67 LEU HA A 67 LEU HDx% 1.0 1.80 5.18 1123 754 A 67 LEU HA A 67 LEU HDy% 1.0 1.80 5.18 1124 755 A 68 LYS H A 67 LEU HA 1.0 1.80 2.87 1125 756 A 68 LYS H A 67 LEU HBy 1.0 1.80 4.15 1126 756 A 68 LYS H A 67 LEU HBx 1.0 1.80 4.15 1127 757 A 68 LYS H A 67 LEU HDx% 1.0 1.80 6.35 1128 758 A 68 LYS H A 67 LEU HDy% 1.0 1.80 6.35 1129 759 A 68 LYS H A 67 LEU HDx% 1.0 1.80 5.99 1130 759 A 68 LYS H A 67 LEU HDy% 1.0 1.80 5.99 1131 760 A 67 LEU H A 67 LEU HBy 1.0 1.80 3.69 1132 761 A 67 LEU HBx A 67 LEU H 1.0 1.80 3.69 1133 762 A 67 LEU H A 67 LEU HBy 1.0 1.80 4.11 1134 762 A 67 LEU HBx A 67 LEU H 1.0 1.80 4.11 1135 763 A 67 LEU H A 67 LEU HDx% 1.0 1.80 5.03 1136 764 A 67 LEU H A 67 LEU HDy% 1.0 1.80 5.03 1137 765 A 67 LEU H A 67 LEU HDx% 1.0 1.80 5.60 1138 765 A 67 LEU H A 67 LEU HDy% 1.0 1.80 5.60 1139 766 A 67 LEU HG A 67 LEU H 1.0 1.80 4.02 1140 767 A 68 LYS H A 67 LEU H 1.0 1.80 4.70 1141 768 A 68 LYS HA A 68 LYS HDx 1.0 1.80 4.84 1142 768 A 68 LYS HDy A 68 LYS HA 1.0 1.80 4.84 1143 769 A 68 LYS HA A 68 LYS HGx 1.0 1.80 4.68 1144 769 A 68 LYS HGy A 68 LYS HA 1.0 1.80 4.68 1145 770 A 68 LYS HA A 69 GLU H 1.0 1.80 2.90 1146 771 A 68 LYS HDy A 68 LYS HBy 1.0 1.80 5.06 1147 771 A 68 LYS HBy A 68 LYS HDx 1.0 1.80 5.06 1148 772 A 69 GLU H A 68 LYS HBy 1.0 1.80 4.42 1149 773 A 68 LYS HDy A 68 LYS HBx 1.0 1.80 5.06 1150 773 A 68 LYS HBx A 68 LYS HDx 1.0 1.80 5.06 1151 774 A 69 GLU H A 68 LYS HBx 1.0 1.80 4.42 1152 775 A 68 LYS HBy A 68 LYS HDx 1.0 1.80 5.21 1153 775 A 68 LYS HBx A 68 LYS HDx 1.0 1.80 5.21 1154 775 A 68 LYS HDy A 68 LYS HBx 1.0 1.80 5.21 1155 775 A 68 LYS HDy A 68 LYS HBy 1.0 1.80 5.21 1156 776 A 69 GLU H A 68 LYS HBx 1.0 1.80 4.45 1157 776 A 69 GLU H A 68 LYS HBy 1.0 1.80 4.45 1158 777 A 70 ALA H A 68 LYS HBx 1.0 1.80 5.93 1159 777 A 68 LYS HBy A 70 ALA H 1.0 1.80 5.93 1160 778 A 69 GLU H A 68 LYS HDx 1.0 1.80 5.44 1161 778 A 68 LYS HDy A 69 GLU H 1.0 1.80 5.44 1162 779 A 68 LYS HDy A 68 LYS HGx 1.0 1.80 4.76 1163 779 A 68 LYS HDx A 68 LYS HGx 1.0 1.80 4.76 1164 779 A 68 LYS HGy A 68 LYS HDx 1.0 1.80 4.76 1165 779 A 68 LYS HGy A 68 LYS HDy 1.0 1.80 4.76 1166 780 A 68 LYS HEy A 68 LYS HGx 1.0 1.80 5.99 1167 780 A 68 LYS HGy A 68 LYS HEx 1.0 1.80 5.99 1168 780 A 68 LYS HGy A 68 LYS HEy 1.0 1.80 5.99 1169 780 A 68 LYS HEx A 68 LYS HGx 1.0 1.80 5.99 1170 781 A 69 GLU H A 68 LYS HGx 1.0 1.80 5.57 1171 781 A 68 LYS HGy A 69 GLU H 1.0 1.80 5.57 1172 782 A 68 LYS H A 68 LYS HBy 1.0 1.80 3.79 1173 783 A 68 LYS H A 68 LYS HBx 1.0 1.80 3.79 1174 784 A 68 LYS H A 68 LYS HBx 1.0 1.80 4.03 1175 784 A 68 LYS H A 68 LYS HBy 1.0 1.80 4.03 1176 785 A 68 LYS H A 68 LYS HDx 1.0 1.80 6.00 1177 785 A 68 LYS H A 68 LYS HDy 1.0 1.80 6.00 1178 786 A 68 LYS H A 68 LYS HGx 1.0 1.80 4.57 1179 786 A 68 LYS H A 68 LYS HGy 1.0 1.80 4.57 1180 787 A 69 GLU HA A 69 GLU HGx 1.0 1.80 4.70 1181 787 A 69 GLU HA A 69 GLU HGy 1.0 1.80 4.70 1182 788 A 70 ALA H A 69 GLU HBy 1.0 1.80 4.74 1183 789 A 70 ALA H A 69 GLU HBx 1.0 1.80 4.74 1184 790 A 70 ALA HB% A 69 GLU HBx 1.0 1.80 6.86 1185 790 A 69 GLU HBy A 70 ALA HB% 1.0 1.80 6.86 1186 791 A 70 ALA H A 69 GLU HBx 1.0 1.80 4.84 1187 791 A 70 ALA H A 69 GLU HBy 1.0 1.80 4.84 1188 792 A 70 ALA HB% A 69 GLU HGx 1.0 1.80 7.37 1189 792 A 69 GLU HGy A 70 ALA HB% 1.0 1.80 7.37 1190 793 A 70 ALA H A 69 GLU HGx 1.0 1.80 5.45 1191 793 A 70 ALA H A 69 GLU HGy 1.0 1.80 5.45 1192 794 A 69 GLU H A 69 GLU HBy 1.0 1.80 3.78 1193 795 A 69 GLU H A 69 GLU HBx 1.0 1.80 3.78 1194 796 A 69 GLU H A 69 GLU HBx 1.0 1.80 4.20 1195 796 A 69 GLU H A 69 GLU HBy 1.0 1.80 4.20 1196 797 A 69 GLU H A 69 GLU HGx 1.0 1.80 4.94 1197 797 A 69 GLU H A 69 GLU HGy 1.0 1.80 4.94 1198 798 A 69 GLU H A 70 ALA H 1.0 1.80 4.20 1199 799 A 70 ALA HA A 71 ILE H 1.0 1.80 3.12 1200 800 A 70 ALA HB% A 71 ILE H 1.0 1.80 4.97 1201 801 A 70 ALA H A 70 ALA HB% 1.0 1.80 4.08 1202 802 A 70 ALA H A 71 ILE H 1.0 1.80 4.42 1203 803 A 71 ILE HA A 71 ILE HD1% 1.0 1.80 5.16 1204 804 A 71 ILE HA A 71 ILE HG1y 1.0 1.80 4.15 1205 805 A 71 ILE HA A 71 ILE HG1x 1.0 1.80 4.15 1206 806 A 71 ILE HA A 71 ILE HG1y 1.0 1.80 4.53 1207 806 A 71 ILE HA A 71 ILE HG1x 1.0 1.80 4.53 1208 807 A 71 ILE HA A 71 ILE HG2% 1.0 1.80 4.36 1209 808 A 71 ILE HA A 72 VAL H 1.0 1.80 2.84 1210 809 A 71 ILE HD1% A 71 ILE HB 1.0 1.80 4.62 1211 810 A 72 VAL H A 71 ILE HB 1.0 1.80 4.23 1212 811 A 71 ILE HG2% A 71 ILE HG1y 1.0 1.80 4.74 1213 812 A 71 ILE HG1x A 71 ILE HG2% 1.0 1.80 4.74 1214 813 A 71 ILE HG2% A 72 VAL H 1.0 1.80 5.08 1215 814 A 71 ILE H A 71 ILE HB 1.0 1.80 3.84 1216 815 A 71 ILE H A 71 ILE HD1% 1.0 1.80 6.52 1217 816 A 71 ILE H A 71 ILE HG1y 1.0 1.80 4.64 1218 817 A 71 ILE H A 71 ILE HG1x 1.0 1.80 4.64 1219 818 A 71 ILE H A 71 ILE HG1y 1.0 1.80 4.86 1220 818 A 71 ILE H A 71 ILE HG1x 1.0 1.80 4.86 1221 819 A 71 ILE H A 71 ILE HG2% 1.0 1.80 5.98 1222 820 A 71 ILE H A 72 VAL H 1.0 1.80 4.70 1223 821 A 72 VAL HA A 72 VAL HGx% 1.0 1.80 4.58 1224 822 A 72 VAL HA A 72 VAL HGy% 1.0 1.80 4.58 1225 823 A 72 VAL HA A 72 VAL HGx% 1.0 1.80 5.16 1226 823 A 72 VAL HA A 72 VAL HGy% 1.0 1.80 5.16 1227 824 A 72 VAL HA A 73 GLU H 1.0 1.80 3.02 1228 825 A 73 GLU H A 72 VAL HB 1.0 1.80 5.34 1229 826 A 73 GLU H A 72 VAL HGx% 1.0 1.80 5.93 1230 827 A 72 VAL HGy% A 73 GLU H 1.0 1.80 5.93 1231 828 A 73 GLU H A 72 VAL HGx% 1.0 1.80 5.98 1232 828 A 72 VAL HGy% A 73 GLU H 1.0 1.80 5.98 1233 829 A 72 VAL H A 72 VAL HB 1.0 1.80 3.79 1234 830 A 72 VAL H A 72 VAL HGx% 1.0 1.80 5.79 1235 830 A 72 VAL H A 72 VAL HGy% 1.0 1.80 5.79 1236 831 A 72 VAL H A 73 GLU H 1.0 1.80 4.46 1237 832 A 73 GLU HA A 73 GLU HGx 1.0 1.80 4.89 1238 832 A 73 GLU HA A 73 GLU HGy 1.0 1.80 4.89 1239 833 A 73 GLU HA A 74 GLY H 1.0 1.80 3.15 1240 834 A 74 GLY H A 73 GLU HBy 1.0 1.80 4.72 1241 835 A 74 GLY H A 73 GLU HBx 1.0 1.80 4.72 1242 836 A 73 GLU H A 73 GLU HBy 1.0 1.80 4.01 1243 837 A 73 GLU H A 73 GLU HBx 1.0 1.80 4.01 1244 838 A 73 GLU H A 73 GLU HBx 1.0 1.80 4.33 1245 838 A 73 GLU H A 73 GLU HBy 1.0 1.80 4.33 1246 839 A 73 GLU H A 73 GLU HGx 1.0 1.80 5.49 1247 839 A 73 GLU H A 73 GLU HGy 1.0 1.80 5.49 1248 840 A 8 LYS HA A 8 LYS HDx 1.0 1.80 5.41 1249 840 A 8 LYS HA A 8 LYS HDy 1.0 1.80 5.41 1250 841 A 8 LYS HBy A 8 LYS HEy 1.0 1.80 5.74 1251 841 A 8 LYS HBx A 8 LYS HEy 1.0 1.80 5.74 1252 842 A 8 LYS HEx A 8 LYS HBx 1.0 1.80 5.74 1253 842 A 8 LYS HBy A 8 LYS HEx 1.0 1.80 5.74 1254 843 A 2 THR HA A 2 THR HB 1.0 1.80 2.70 1255 844 A 2 THR HG2% A 2 THR HB 1.0 1.80 4.80 1256 845 A 3 ARG HA A 3 ARG HBx 1.0 1.80 4.30 1257 845 A 3 ARG HA A 3 ARG HBy 1.0 1.80 4.30 1258 846 A 3 ARG HBy A 3 ARG HDx 1.0 1.80 5.30 1259 846 A 3 ARG HBx A 3 ARG HDx 1.0 1.80 5.30 1260 846 A 3 ARG HDy A 3 ARG HBx 1.0 1.80 5.30 1261 846 A 3 ARG HDy A 3 ARG HBy 1.0 1.80 5.30 1262 847 A 3 ARG HBx A 3 ARG HGx 1.0 1.80 4.70 1263 847 A 3 ARG HBy A 3 ARG HGx 1.0 1.80 4.70 1264 847 A 3 ARG HGy A 3 ARG HBx 1.0 1.80 4.70 1265 847 A 3 ARG HGy A 3 ARG HBy 1.0 1.80 4.70 1266 848 A 3 ARG HDy A 3 ARG HGx 1.0 1.80 4.70 1267 848 A 3 ARG HDx A 3 ARG HGx 1.0 1.80 4.70 1268 848 A 3 ARG HGy A 3 ARG HDx 1.0 1.80 4.70 1269 848 A 3 ARG HDy A 3 ARG HGy 1.0 1.80 4.70 1270 849 A 4 TRP HA A 4 TRP HBx 1.0 1.80 4.30 1271 849 A 4 TRP HA A 4 TRP HBy 1.0 1.80 4.30 1272 850 A 4 TRP HBy A 40 GLU HBx 1.0 1.80 7.00 1273 850 A 4 TRP HBx A 40 GLU HBx 1.0 1.80 7.00 1274 850 A 40 GLU HBy A 4 TRP HBx 1.0 1.80 7.00 1275 850 A 40 GLU HBy A 4 TRP HBy 1.0 1.80 7.00 1276 851 A 5 VAL HA A 5 VAL HGx% 1.0 1.80 6.70 1277 851 A 5 VAL HA A 5 VAL HGy% 1.0 1.80 6.70 1278 852 A 5 VAL HA A 6 PRO HDx 1.0 1.80 6.00 1279 852 A 6 PRO HDy A 5 VAL HA 1.0 1.80 6.00 1280 853 A 5 VAL HB A 5 VAL HGx% 1.0 1.80 6.70 1281 853 A 5 VAL HB A 5 VAL HGy% 1.0 1.80 6.70 1282 854 A 5 VAL HB A 7 THR HG2% 1.0 1.80 6.50 1283 855 A 41 THR HG2% A 5 VAL HGx% 1.0 1.80 8.90 1284 855 A 41 THR HG2% A 5 VAL HGy% 1.0 1.80 8.90 1285 856 A 5 VAL HGx% A 6 PRO HDx 1.0 1.80 8.40 1286 856 A 5 VAL HGy% A 6 PRO HDx 1.0 1.80 8.40 1287 856 A 6 PRO HDy A 5 VAL HGx% 1.0 1.80 8.40 1288 856 A 6 PRO HDy A 5 VAL HGy% 1.0 1.80 8.40 1289 857 A 6 PRO HA A 6 PRO HGx 1.0 1.80 6.00 1290 857 A 6 PRO HA A 6 PRO HGy 1.0 1.80 6.00 1291 858 A 6 PRO HBy A 6 PRO HDx 1.0 1.80 7.00 1292 858 A 6 PRO HBx A 6 PRO HDx 1.0 1.80 7.00 1293 858 A 6 PRO HDy A 6 PRO HBy 1.0 1.80 7.00 1294 858 A 6 PRO HDy A 6 PRO HBx 1.0 1.80 7.00 1295 859 A 6 PRO HBy A 6 PRO HGx 1.0 1.80 5.30 1296 859 A 6 PRO HBx A 6 PRO HGx 1.0 1.80 5.30 1297 859 A 6 PRO HGy A 6 PRO HBy 1.0 1.80 5.30 1298 859 A 6 PRO HGy A 6 PRO HBx 1.0 1.80 5.30 1299 860 A 6 PRO HDy A 6 PRO HGx 1.0 1.80 7.00 1300 860 A 6 PRO HDx A 6 PRO HGx 1.0 1.80 7.00 1301 860 A 6 PRO HGy A 6 PRO HDx 1.0 1.80 7.00 1302 860 A 6 PRO HDy A 6 PRO HGy 1.0 1.80 7.00 1303 861 A 41 THR HG2% A 6 PRO HGx 1.0 1.80 7.50 1304 861 A 41 THR HG2% A 6 PRO HGy 1.0 1.80 7.50 1305 862 A 41 THR HG2% A 7 THR HB 1.0 1.80 6.50 1306 863 A 7 THR HB A 46 TYR HBy 1.0 1.80 6.00 1307 863 A 46 TYR HBx A 7 THR HB 1.0 1.80 6.00 1308 864 A 7 THR HG2% A 7 THR HB 1.0 1.80 4.20 1309 865 A 7 THR HB A 10 GLU HBx 1.0 1.80 6.00 1310 865 A 7 THR HB A 10 GLU HBy 1.0 1.80 6.00 1311 866 A 38 ILE HG2% A 7 THR HG2% 1.0 1.80 6.30 1312 867 A 7 THR HG2% A 41 THR HB 1.0 1.80 6.50 1313 868 A 41 THR HG2% A 7 THR HG2% 1.0 1.80 5.70 1314 869 A 8 LYS HA A 8 LYS HBx 1.0 1.80 4.30 1315 869 A 8 LYS HA A 8 LYS HBy 1.0 1.80 4.30 1316 870 A 8 LYS HA A 8 LYS HGx 1.0 1.80 6.00 1317 870 A 8 LYS HA A 8 LYS HGy 1.0 1.80 6.00 1318 871 A 8 LYS HBx A 8 LYS HGx 1.0 1.80 5.30 1319 871 A 8 LYS HBy A 8 LYS HGx 1.0 1.80 5.30 1320 871 A 8 LYS HGy A 8 LYS HBx 1.0 1.80 5.30 1321 871 A 8 LYS HBy A 8 LYS HGy 1.0 1.80 5.30 1322 872 A 8 LYS HDx A 8 LYS HEy 1.0 1.80 5.30 1323 872 A 8 LYS HDy A 8 LYS HEy 1.0 1.80 5.30 1324 872 A 8 LYS HEx A 8 LYS HDx 1.0 1.80 5.30 1325 872 A 8 LYS HDy A 8 LYS HEx 1.0 1.80 5.30 1326 873 A 8 LYS HDx A 8 LYS HGx 1.0 1.80 5.30 1327 873 A 8 LYS HDy A 8 LYS HGx 1.0 1.80 5.30 1328 873 A 8 LYS HGy A 8 LYS HDx 1.0 1.80 5.30 1329 873 A 8 LYS HDy A 8 LYS HGy 1.0 1.80 5.30 1330 874 A 8 LYS HEx A 8 LYS HGx 1.0 1.80 7.00 1331 874 A 8 LYS HEy A 8 LYS HGx 1.0 1.80 7.00 1332 874 A 8 LYS HGy A 8 LYS HEy 1.0 1.80 7.00 1333 874 A 8 LYS HGy A 8 LYS HEx 1.0 1.80 7.00 1334 875 A 10 GLU HA A 10 GLU HBx 1.0 1.80 4.30 1335 875 A 10 GLU HA A 10 GLU HBy 1.0 1.80 4.30 1336 876 A 10 GLU HBx A 10 GLU HGx 1.0 1.80 5.30 1337 876 A 10 GLU HBy A 10 GLU HGx 1.0 1.80 5.30 1338 876 A 10 GLU HGy A 10 GLU HBx 1.0 1.80 5.30 1339 876 A 10 GLU HGy A 10 GLU HBy 1.0 1.80 5.30 1340 877 A 38 ILE HD1% A 10 GLU HGx 1.0 1.80 7.50 1341 877 A 10 GLU HGy A 38 ILE HD1% 1.0 1.80 7.50 1342 878 A 10 GLU HGy A 67 LEU HDy% 1.0 1.80 8.40 1343 878 A 10 GLU HGx A 67 LEU HDy% 1.0 1.80 8.40 1344 878 A 67 LEU HDx% A 10 GLU HGx 1.0 1.80 8.40 1345 878 A 10 GLU HGy A 67 LEU HDx% 1.0 1.80 8.40 1346 879 A 11 GLU HA A 11 GLU HBx 1.0 1.80 4.30 1347 879 A 11 GLU HA A 11 GLU HBy 1.0 1.80 4.30 1348 880 A 11 GLU HBx A 11 GLU HGx 1.0 1.80 4.70 1349 880 A 11 GLU HBy A 11 GLU HGx 1.0 1.80 4.70 1350 880 A 11 GLU HGy A 11 GLU HBx 1.0 1.80 4.70 1351 880 A 11 GLU HGy A 11 GLU HBy 1.0 1.80 4.70 1352 881 A 70 ALA HB% A 11 GLU HBx 1.0 1.80 7.50 1353 881 A 70 ALA HB% A 11 GLU HBy 1.0 1.80 7.50 1354 882 A 11 GLU HGx A 12 LYS HGx 1.0 1.80 7.00 1355 882 A 11 GLU HGy A 12 LYS HGx 1.0 1.80 7.00 1356 882 A 12 LYS HGy A 11 GLU HGx 1.0 1.80 7.00 1357 882 A 11 GLU HGy A 12 LYS HGy 1.0 1.80 7.00 1358 883 A 70 ALA HB% A 11 GLU HGx 1.0 1.80 7.50 1359 883 A 11 GLU HGy A 70 ALA HB% 1.0 1.80 7.50 1360 884 A 12 LYS HA A 12 LYS HBx 1.0 1.80 4.30 1361 884 A 12 LYS HA A 12 LYS HBy 1.0 1.80 4.30 1362 885 A 12 LYS HBy A 12 LYS HGx 1.0 1.80 4.70 1363 885 A 12 LYS HBx A 12 LYS HGx 1.0 1.80 4.70 1364 885 A 12 LYS HGy A 12 LYS HBx 1.0 1.80 4.70 1365 885 A 12 LYS HGy A 12 LYS HBy 1.0 1.80 4.70 1366 886 A 4 TRP HA A 4 TRP HE3 1.0 1.80 5.00 1367 887 A 4 TRP HE3 A 4 TRP HBx 1.0 1.80 6.00 1368 887 A 4 TRP HBy A 4 TRP HE3 1.0 1.80 6.00 1369 888 A 4 TRP HE3 A 4 TRP HD1 1.0 1.80 5.00 1370 889 A 4 TRP HE3 A 40 GLU HBx 1.0 1.80 6.00 1371 889 A 40 GLU HBy A 4 TRP HE3 1.0 1.80 6.00 1372 890 A 4 TRP HE3 A 4 TRP HZ3 1.0 1.80 2.90 1373 891 A 4 TRP HH2 A 40 GLU HBx 1.0 1.80 4.50 1374 891 A 40 GLU HBy A 4 TRP HH2 1.0 1.80 4.50 1375 892 A 4 TRP HH2 A 45 TRP HD1 1.0 1.80 5.00 1376 893 A 4 TRP HH2 A 45 TRP HE3 1.0 1.80 5.00 1377 894 A 4 TRP HH2 A 4 TRP HZ2 1.0 1.80 2.90 1378 895 A 59 ILE HD1% A 4 TRP HH2 1.0 1.80 5.00 1379 896 A 59 ILE HG2% A 4 TRP HH2 1.0 1.80 5.00 1380 897 A 4 TRP HZ2 A 40 GLU HBx 1.0 1.80 6.00 1381 897 A 40 GLU HBy A 4 TRP HZ2 1.0 1.80 6.00 1382 898 A 59 ILE HB A 4 TRP HZ2 1.0 1.80 5.00 1383 899 A 59 ILE HD1% A 4 TRP HZ2 1.0 1.80 6.50 1384 900 A 59 ILE HG2% A 4 TRP HZ2 1.0 1.80 6.50 1385 901 A 59 ILE HG2% A 4 TRP HZ3 1.0 1.80 5.90 1386 902 A 4 TRP HZ3 A 47 ARG HBx 1.0 1.80 4.50 1387 902 A 47 ARG HBy A 4 TRP HZ3 1.0 1.80 4.50 1388 903 A 4 TRP HZ3 A 47 ARG HGx 1.0 1.80 4.50 1389 903 A 47 ARG HGy A 4 TRP HZ3 1.0 1.80 4.50 1390 904 A 13 TYR HA A 13 TYR HD% 1.0 1.80 5.50 1391 905 A 13 TYR HD% A 13 TYR HBy 1.0 1.80 5.90 1392 905 A 13 TYR HBx A 13 TYR HD% 1.0 1.80 5.90 1393 906 A 13 TYR HD% A 13 TYR HE% 1.0 1.80 6.90 1394 907 A 35 THR HG2% A 13 TYR HD% 1.0 1.80 7.00 1395 908 A 13 TYR HD% A 51 LEU HDy% 1.0 1.80 7.90 1396 908 A 13 TYR HD% A 51 LEU HDx% 1.0 1.80 7.90 1397 909 A 13 TYR HD% A 68 LYS HBx 1.0 1.80 8.00 1398 909 A 13 TYR HD% A 68 LYS HBy 1.0 1.80 8.00 1399 910 A 13 TYR HD% A 70 ALA HA 1.0 1.80 7.00 1400 911 A 13 TYR HD% A 71 ILE HD1% 1.0 1.80 8.50 1401 912 A 35 THR HG2% A 13 TYR HE% 1.0 1.80 7.00 1402 913 A 13 TYR HE% A 37 HIS HBx 1.0 1.80 6.50 1403 913 A 37 HIS HBy A 13 TYR HE% 1.0 1.80 6.50 1404 914 A 13 TYR HE% A 51 LEU HDy% 1.0 1.80 7.30 1405 914 A 13 TYR HE% A 51 LEU HDx% 1.0 1.80 7.30 1406 915 A 13 TYR HE% A 68 LYS HBx 1.0 1.80 6.50 1407 915 A 68 LYS HBy A 13 TYR HE% 1.0 1.80 6.50 1408 916 A 70 ALA HB% A 13 TYR HE% 1.0 1.80 7.00 1409 917 A 71 ILE HD1% A 13 TYR HE% 1.0 1.80 6.40 1410 918 A 17 PHE HD% A 15 VAL HGx% 1.0 1.80 7.30 1411 918 A 17 PHE HD% A 15 VAL HGy% 1.0 1.80 7.30 1412 919 A 17 PHE HE% A 15 VAL HGx% 1.0 1.80 9.40 1413 919 A 15 VAL HGy% A 17 PHE HE% 1.0 1.80 9.40 1414 920 A 16 ALA HB% A 60 PHE HD% 1.0 1.80 7.00 1415 921 A 17 PHE HD% A 17 PHE HBy 1.0 1.80 5.90 1416 921 A 17 PHE HBx A 17 PHE HD% 1.0 1.80 5.90 1417 922 A 64 TYR HE% A 17 PHE HBy 1.0 1.80 8.00 1418 922 A 17 PHE HBx A 64 TYR HE% 1.0 1.80 8.00 1419 923 A 17 PHE HD% A 17 PHE HE% 1.0 1.80 6.90 1420 924 A 17 PHE HD% A 17 PHE HZ 1.0 1.80 5.50 1421 925 A 17 PHE HE% A 17 PHE HZ 1.0 1.80 4.90 1422 926 A 17 PHE HE% A 64 TYR HA 1.0 1.80 7.00 1423 927 A 17 PHE HZ A 64 TYR HA 1.0 1.80 5.00 1424 928 A 18 TYR HA A 18 TYR HD% 1.0 1.80 5.50 1425 929 A 18 TYR HA A 18 TYR HE% 1.0 1.80 7.00 1426 930 A 18 TYR HD% A 18 TYR HBy 1.0 1.80 5.90 1427 930 A 18 TYR HBx A 18 TYR HD% 1.0 1.80 5.90 1428 931 A 18 TYR HE% A 18 TYR HBy 1.0 1.80 6.50 1429 931 A 18 TYR HBx A 18 TYR HE% 1.0 1.80 6.50 1430 932 A 64 TYR HD% A 18 TYR HBy 1.0 1.80 5.90 1431 932 A 18 TYR HBx A 64 TYR HD% 1.0 1.80 5.90 1432 933 A 64 TYR HE% A 18 TYR HBy 1.0 1.80 6.50 1433 933 A 18 TYR HBx A 64 TYR HE% 1.0 1.80 6.50 1434 934 A 32 ILE HD1% A 18 TYR HD% 1.0 1.80 8.50 1435 935 A 18 TYR HD% A 32 ILE HG1y 1.0 1.80 8.00 1436 935 A 18 TYR HD% A 32 ILE HG1x 1.0 1.80 8.00 1437 936 A 18 TYR HD% A 64 TYR HA 1.0 1.80 4.90 1438 937 A 18 TYR HD% A 64 TYR HE% 1.0 1.80 6.90 1439 938 A 64 TYR HA A 18 TYR HE% 1.0 1.80 7.00 1440 939 A 64 TYR HE% A 18 TYR HE% 1.0 1.80 6.90 1441 940 A 20 TYR HD% A 20 TYR HBy 1.0 1.80 5.90 1442 940 A 20 TYR HBx A 20 TYR HD% 1.0 1.80 5.90 1443 941 A 20 TYR HD% A 20 TYR HE% 1.0 1.80 6.90 1444 942 A 20 TYR HD% A 22 ALA HA 1.0 1.80 7.00 1445 943 A 20 TYR HD% A 29 SER HA 1.0 1.80 7.00 1446 944 A 20 TYR HD% A 30 LEU HDy% 1.0 1.80 9.40 1447 944 A 20 TYR HD% A 30 LEU HDx% 1.0 1.80 9.40 1448 945 A 30 LEU HG A 20 TYR HD% 1.0 1.80 7.00 1449 946 A 20 TYR HD% A 45 TRP HZ3 1.0 1.80 7.00 1450 947 A 20 TYR HD% A 61 PRO HDx 1.0 1.80 8.00 1451 947 A 20 TYR HD% A 61 PRO HDy 1.0 1.80 8.00 1452 948 A 20 TYR HD% A 64 TYR HE% 1.0 1.80 7.50 1453 949 A 20 TYR HE% A 22 ALA HA 1.0 1.80 4.90 1454 950 A 20 TYR HE% A 22 ALA HB% 1.0 1.80 7.00 1455 951 A 20 TYR HE% A 27 GLU HBx 1.0 1.80 6.50 1456 951 A 20 TYR HE% A 27 GLU HBy 1.0 1.80 6.50 1457 952 A 20 TYR HE% A 27 GLU HGx 1.0 1.80 6.50 1458 952 A 20 TYR HE% A 27 GLU HGy 1.0 1.80 6.50 1459 953 A 20 TYR HE% A 30 LEU HDy% 1.0 1.80 9.40 1460 953 A 20 TYR HE% A 30 LEU HDx% 1.0 1.80 9.40 1461 954 A 20 TYR HE% A 45 TRP HH2 1.0 1.80 5.50 1462 955 A 20 TYR HE% A 45 TRP HZ3 1.0 1.80 4.90 1463 956 A 20 TYR HE% A 60 PHE HA 1.0 1.80 7.00 1464 957 A 20 TYR HE% A 60 PHE HBy 1.0 1.80 6.50 1465 957 A 20 TYR HE% A 60 PHE HBx 1.0 1.80 6.50 1466 958 A 20 TYR HE% A 61 PRO HDx 1.0 1.80 8.00 1467 958 A 20 TYR HE% A 61 PRO HDy 1.0 1.80 8.00 1468 959 A 20 TYR HE% A 61 PRO HGy 1.0 1.80 8.00 1469 959 A 20 TYR HE% A 61 PRO HGx 1.0 1.80 8.00 1470 960 A 20 TYR HE% A 64 TYR HE% 1.0 1.80 9.00 1471 961 A 45 TRP HZ3 A 27 GLU HGx 1.0 1.80 6.00 1472 961 A 27 GLU HGy A 45 TRP HZ3 1.0 1.80 6.00 1473 962 A 60 PHE HD% A 28 LEU HBy 1.0 1.80 5.90 1474 962 A 60 PHE HD% A 28 LEU HBx 1.0 1.80 5.90 1475 963 A 60 PHE HD% A 28 LEU HDy% 1.0 1.80 7.30 1476 963 A 60 PHE HD% A 28 LEU HDx% 1.0 1.80 7.30 1477 964 A 60 PHE HE% A 28 LEU HDy% 1.0 1.80 7.90 1478 964 A 28 LEU HDx% A 60 PHE HE% 1.0 1.80 7.90 1479 965 A 60 PHE HD% A 30 LEU HDy% 1.0 1.80 7.90 1480 965 A 60 PHE HD% A 30 LEU HDx% 1.0 1.80 7.90 1481 966 A 60 PHE HE% A 30 LEU HDy% 1.0 1.80 9.40 1482 966 A 30 LEU HDx% A 60 PHE HE% 1.0 1.80 9.40 1483 967 A 64 TYR HD% A 30 LEU HDy% 1.0 1.80 9.40 1484 967 A 64 TYR HD% A 30 LEU HDx% 1.0 1.80 9.40 1485 968 A 36 VAL HB A 60 PHE HD% 1.0 1.80 5.50 1486 969 A 36 VAL HB A 60 PHE HE% 1.0 1.80 5.50 1487 970 A 36 VAL HB A 60 PHE HZ 1.0 1.80 3.50 1488 971 A 60 PHE HD% A 36 VAL HGx% 1.0 1.80 7.30 1489 971 A 60 PHE HD% A 36 VAL HGy% 1.0 1.80 7.30 1490 972 A 60 PHE HE% A 36 VAL HGx% 1.0 1.80 7.30 1491 972 A 60 PHE HE% A 36 VAL HGy% 1.0 1.80 7.30 1492 973 A 60 PHE HZ A 36 VAL HGx% 1.0 1.80 5.90 1493 973 A 60 PHE HZ A 36 VAL HGy% 1.0 1.80 5.90 1494 974 A 49 TYR HE% A 37 HIS HBx 1.0 1.80 8.00 1495 974 A 37 HIS HBy A 49 TYR HE% 1.0 1.80 8.00 1496 975 A 38 ILE HB A 60 PHE HZ 1.0 1.80 5.00 1497 976 A 38 ILE HD1% A 46 TYR HD% 1.0 1.80 8.50 1498 977 A 38 ILE HD1% A 46 TYR HE% 1.0 1.80 7.00 1499 978 A 38 ILE HD1% A 60 PHE HE% 1.0 1.80 8.50 1500 979 A 38 ILE HD1% A 60 PHE HZ 1.0 1.80 5.00 1501 980 A 46 TYR HD% A 38 ILE HG1y 1.0 1.80 5.90 1502 980 A 38 ILE HG1x A 46 TYR HD% 1.0 1.80 5.90 1503 981 A 46 TYR HE% A 38 ILE HG1y 1.0 1.80 6.50 1504 981 A 38 ILE HG1x A 46 TYR HE% 1.0 1.80 6.50 1505 982 A 60 PHE HZ A 38 ILE HG1y 1.0 1.80 4.50 1506 982 A 38 ILE HG1x A 60 PHE HZ 1.0 1.80 4.50 1507 983 A 38 ILE HG2% A 46 TYR HD% 1.0 1.80 7.00 1508 984 A 38 ILE HG2% A 46 TYR HE% 1.0 1.80 7.00 1509 985 A 38 ILE HG2% A 60 PHE HZ 1.0 1.80 4.40 1510 986 A 49 TYR HD% A 39 LEU HBy 1.0 1.80 6.50 1511 986 A 49 TYR HD% A 39 LEU HBx 1.0 1.80 6.50 1512 987 A 49 TYR HE% A 39 LEU HBy 1.0 1.80 6.50 1513 987 A 49 TYR HE% A 39 LEU HBx 1.0 1.80 6.50 1514 988 A 49 TYR HD% A 39 LEU HDy% 1.0 1.80 7.30 1515 988 A 49 TYR HD% A 39 LEU HDx% 1.0 1.80 7.30 1516 989 A 49 TYR HE% A 39 LEU HDy% 1.0 1.80 7.30 1517 989 A 49 TYR HE% A 39 LEU HDx% 1.0 1.80 7.30 1518 990 A 49 TYR HD% A 39 LEU HG 1.0 1.80 5.50 1519 991 A 46 TYR HD% A 41 THR HB 1.0 1.80 5.50 1520 992 A 41 THR HB A 46 TYR HE% 1.0 1.80 7.00 1521 993 A 41 THR HG2% A 46 TYR HD% 1.0 1.80 7.00 1522 994 A 41 THR HG2% A 46 TYR HE% 1.0 1.80 6.40 1523 995 A 45 TRP HD1 A 45 TRP HBx 1.0 1.80 4.50 1524 995 A 45 TRP HD1 A 45 TRP HBy 1.0 1.80 4.50 1525 996 A 45 TRP HE3 A 45 TRP HBx 1.0 1.80 4.50 1526 996 A 45 TRP HE3 A 45 TRP HBy 1.0 1.80 4.50 1527 997 A 45 TRP HE3 A 45 TRP HZ3 1.0 1.80 2.90 1528 998 A 59 ILE HB A 45 TRP HE3 1.0 1.80 3.50 1529 999 A 59 ILE HD1% A 45 TRP HE3 1.0 1.80 6.50 1530 1000 A 45 TRP HE3 A 59 ILE HG1y 1.0 1.80 6.00 1531 1000 A 59 ILE HG1x A 45 TRP HE3 1.0 1.80 6.00 1532 1001 A 59 ILE HG2% A 45 TRP HE3 1.0 1.80 6.50 1533 1002 A 60 PHE HA A 45 TRP HE3 1.0 1.80 5.00 1534 1003 A 45 TRP HH2 A 45 TRP HZ2 1.0 1.80 2.90 1535 1004 A 45 TRP HZ3 A 45 TRP HH2 1.0 1.80 2.90 1536 1005 A 45 TRP HZ3 A 45 TRP HZ2 1.0 1.80 5.00 1537 1006 A 59 ILE HD1% A 45 TRP HZ3 1.0 1.80 5.00 1538 1007 A 59 ILE HG2% A 45 TRP HZ3 1.0 1.80 6.50 1539 1008 A 60 PHE HA A 45 TRP HZ3 1.0 1.80 3.50 1540 1009 A 45 TRP HZ3 A 61 PRO HDx 1.0 1.80 3.90 1541 1009 A 61 PRO HDy A 45 TRP HZ3 1.0 1.80 3.90 1542 1010 A 46 TYR HA A 46 TYR HD% 1.0 1.80 4.90 1543 1011 A 46 TYR HD% A 46 TYR HBy 1.0 1.80 5.90 1544 1011 A 46 TYR HBx A 46 TYR HD% 1.0 1.80 5.90 1545 1012 A 46 TYR HE% A 46 TYR HBy 1.0 1.80 8.00 1546 1012 A 46 TYR HBx A 46 TYR HE% 1.0 1.80 8.00 1547 1013 A 60 PHE HD% A 46 TYR HBy 1.0 1.80 8.00 1548 1013 A 46 TYR HBx A 60 PHE HD% 1.0 1.80 8.00 1549 1014 A 60 PHE HE% A 46 TYR HBy 1.0 1.80 8.00 1550 1014 A 46 TYR HBx A 60 PHE HE% 1.0 1.80 8.00 1551 1015 A 60 PHE HZ A 46 TYR HBy 1.0 1.80 6.00 1552 1015 A 46 TYR HBx A 60 PHE HZ 1.0 1.80 6.00 1553 1016 A 46 TYR HD% A 46 TYR HE% 1.0 1.80 6.90 1554 1017 A 46 TYR HD% A 60 PHE HD% 1.0 1.80 6.90 1555 1018 A 46 TYR HD% A 62 ALA HA 1.0 1.80 4.90 1556 1019 A 62 ALA HB% A 46 TYR HD% 1.0 1.80 7.00 1557 1020 A 46 TYR HD% A 65 ILE HB 1.0 1.80 7.00 1558 1021 A 65 ILE HD1% A 46 TYR HD% 1.0 1.80 8.50 1559 1022 A 46 TYR HD% A 65 ILE HG1y 1.0 1.80 6.50 1560 1022 A 65 ILE HG1x A 46 TYR HD% 1.0 1.80 6.50 1561 1023 A 65 ILE HG2% A 46 TYR HD% 1.0 1.80 8.50 1562 1024 A 60 PHE HD% A 46 TYR HE% 1.0 1.80 6.90 1563 1025 A 60 PHE HE% A 46 TYR HE% 1.0 1.80 6.90 1564 1026 A 62 ALA HA A 46 TYR HE% 1.0 1.80 4.90 1565 1027 A 62 ALA HB% A 46 TYR HE% 1.0 1.80 6.40 1566 1028 A 65 ILE HB A 46 TYR HE% 1.0 1.80 4.90 1567 1029 A 65 ILE HD1% A 46 TYR HE% 1.0 1.80 7.00 1568 1030 A 46 TYR HE% A 65 ILE HG1y 1.0 1.80 6.50 1569 1030 A 65 ILE HG1x A 46 TYR HE% 1.0 1.80 6.50 1570 1031 A 65 ILE HG2% A 46 TYR HE% 1.0 1.80 7.00 1571 1032 A 49 TYR HA A 49 TYR HE% 1.0 1.80 7.00 1572 1033 A 49 TYR HD% A 49 TYR HBy 1.0 1.80 5.90 1573 1033 A 49 TYR HBx A 49 TYR HD% 1.0 1.80 5.90 1574 1034 A 49 TYR HE% A 49 TYR HBy 1.0 1.80 8.00 1575 1034 A 49 TYR HBx A 49 TYR HE% 1.0 1.80 8.00 1576 1035 A 49 TYR HD% A 49 TYR HE% 1.0 1.80 6.90 1577 1036 A 49 TYR HD% A 54 LYS HA 1.0 1.80 4.90 1578 1037 A 49 TYR HD% A 54 LYS HBx 1.0 1.80 6.50 1579 1037 A 49 TYR HD% A 54 LYS HBy 1.0 1.80 6.50 1580 1038 A 49 TYR HD% A 54 LYS HGx 1.0 1.80 6.50 1581 1038 A 49 TYR HD% A 54 LYS HGy 1.0 1.80 6.50 1582 1039 A 49 TYR HD% A 57 LYS HDx 1.0 1.80 6.50 1583 1039 A 49 TYR HD% A 57 LYS HDy 1.0 1.80 6.50 1584 1040 A 49 TYR HD% A 57 LYS HGx 1.0 1.80 6.50 1585 1040 A 49 TYR HD% A 57 LYS HGy 1.0 1.80 6.50 1586 1041 A 49 TYR HE% A 51 LEU HA 1.0 1.80 5.50 1587 1042 A 49 TYR HE% A 54 LYS HA 1.0 1.80 5.50 1588 1043 A 49 TYR HE% A 54 LYS HBx 1.0 1.80 6.50 1589 1043 A 49 TYR HE% A 54 LYS HBy 1.0 1.80 6.50 1590 1044 A 49 TYR HE% A 54 LYS HDx 1.0 1.80 6.50 1591 1044 A 49 TYR HE% A 54 LYS HDy 1.0 1.80 6.50 1592 1045 A 49 TYR HE% A 54 LYS HEx 1.0 1.80 8.00 1593 1045 A 49 TYR HE% A 54 LYS HEy 1.0 1.80 8.00 1594 1046 A 49 TYR HE% A 54 LYS HGx 1.0 1.80 6.50 1595 1046 A 49 TYR HE% A 54 LYS HGy 1.0 1.80 6.50 1596 1047 A 49 TYR HE% A 57 LYS HGx 1.0 1.80 8.00 1597 1047 A 49 TYR HE% A 57 LYS HGy 1.0 1.80 8.00 1598 1048 A 59 ILE HA A 60 PHE HD% 1.0 1.80 5.50 1599 1049 A 60 PHE HA A 60 PHE HD% 1.0 1.80 5.50 1600 1050 A 60 PHE HD% A 60 PHE HBy 1.0 1.80 5.90 1601 1050 A 60 PHE HBx A 60 PHE HD% 1.0 1.80 5.90 1602 1051 A 60 PHE HD% A 60 PHE HE% 1.0 1.80 6.90 1603 1052 A 60 PHE HD% A 61 PRO HDx 1.0 1.80 5.90 1604 1052 A 61 PRO HDy A 60 PHE HD% 1.0 1.80 5.90 1605 1053 A 65 ILE HD1% A 60 PHE HD% 1.0 1.80 6.40 1606 1054 A 60 PHE HD% A 65 ILE HG1y 1.0 1.80 6.50 1607 1054 A 65 ILE HG1x A 60 PHE HD% 1.0 1.80 6.50 1608 1055 A 65 ILE HG2% A 60 PHE HD% 1.0 1.80 8.50 1609 1056 A 60 PHE HE% A 60 PHE HZ 1.0 1.80 4.90 1610 1057 A 62 ALA HA A 60 PHE HE% 1.0 1.80 4.90 1611 1058 A 62 ALA HB% A 60 PHE HE% 1.0 1.80 6.40 1612 1059 A 65 ILE HB A 60 PHE HE% 1.0 1.80 4.90 1613 1060 A 65 ILE HD1% A 60 PHE HE% 1.0 1.80 7.00 1614 1061 A 60 PHE HE% A 65 ILE HG1y 1.0 1.80 6.50 1615 1061 A 65 ILE HG1x A 60 PHE HE% 1.0 1.80 6.50 1616 1062 A 65 ILE HG2% A 60 PHE HE% 1.0 1.80 8.50 1617 1063 A 65 ILE HD1% A 60 PHE HZ 1.0 1.80 5.00 1618 1064 A 60 PHE HZ A 65 ILE HG1y 1.0 1.80 4.50 1619 1064 A 65 ILE HG1x A 60 PHE HZ 1.0 1.80 4.50 1620 1065 A 65 ILE HG2% A 60 PHE HZ 1.0 1.80 4.40 1621 1066 A 64 TYR HD% A 61 PRO HBy 1.0 1.80 6.50 1622 1066 A 61 PRO HBx A 64 TYR HD% 1.0 1.80 6.50 1623 1067 A 64 TYR HE% A 61 PRO HBy 1.0 1.80 8.00 1624 1067 A 61 PRO HBx A 64 TYR HE% 1.0 1.80 8.00 1625 1068 A 64 TYR HD% A 61 PRO HGy 1.0 1.80 8.00 1626 1068 A 64 TYR HD% A 61 PRO HGx 1.0 1.80 8.00 1627 1069 A 64 TYR HE% A 61 PRO HGy 1.0 1.80 8.00 1628 1069 A 64 TYR HE% A 61 PRO HGx 1.0 1.80 8.00 1629 1070 A 64 TYR HD% A 64 TYR HA 1.0 1.80 4.90 1630 1071 A 64 TYR HD% A 64 TYR HBy 1.0 1.80 5.90 1631 1071 A 64 TYR HD% A 64 TYR HBx 1.0 1.80 5.90 1632 1072 A 64 TYR HD% A 64 TYR HE% 1.0 1.80 6.90 1633 1073 A 66 HIS HD2 A 66 HIS HBx 1.0 1.80 3.90 1634 1073 A 66 HIS HBy A 66 HIS HD2 1.0 1.80 3.90 1635 1074 A 68 LYS HA A 66 HIS HD2 1.0 1.80 5.00 1636 1075 A 66 HIS HD2 A 68 LYS HBx 1.0 1.80 6.00 1637 1075 A 68 LYS HBy A 66 HIS HD2 1.0 1.80 6.00 1638 1076 A 66 HIS HD2 A 68 LYS HGx 1.0 1.80 6.00 1639 1076 A 68 LYS HGy A 66 HIS HD2 1.0 1.80 6.00 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 36 VAL H A 14 GLY O 1.0 1.8 2.2 2 2 A 14 GLY O A 36 VAL N 1.0 2.2 3.3 3 3 A 14 GLY H A 36 VAL O 1.0 1.8 2.2 4 4 A 36 VAL O A 14 GLY N 1.0 2.2 3.3 5 5 A 16 ALA H A 34 ASP O 1.0 1.8 2.2 6 6 A 34 ASP O A 16 ALA N 1.0 2.2 3.3 7 7 A 66 HIS H A 15 VAL O 1.0 1.8 2.2 8 8 A 15 VAL O A 66 HIS N 1.0 2.2 3.3 9 9 A 15 VAL H A 66 HIS O 1.0 1.8 2.2 10 10 A 66 HIS O A 15 VAL N 1.0 2.2 3.3 11 11 A 68 LYS H A 13 TYR O 1.0 1.8 2.2 12 12 A 13 TYR O A 68 LYS N 1.0 2.2 3.3 13 13 A 30 LEU H A 20 TYR O 1.0 1.8 2.2 14 14 A 20 TYR O A 30 LEU N 1.0 2.2 3.3 15 15 A 20 TYR H A 30 LEU O 1.0 1.8 2.2 16 16 A 30 LEU O A 20 TYR N 1.0 2.2 3.3 17 17 A 40 GLU H A 47 ARG O 1.0 1.8 2.2 18 18 A 47 ARG O A 40 GLU N 1.0 2.2 3.3 19 19 A 47 ARG H A 40 GLU O 1.0 1.8 2.2 20 20 A 40 GLU O A 47 ARG N 1.0 2.2 3.3 21 21 A 37 HIS H A 49 TYR O 1.0 1.8 2.2 22 22 A 49 TYR O A 37 HIS N 1.0 2.2 3.3 23 23 A 49 TYR H A 37 HIS O 1.0 1.8 2.2 24 24 A 37 HIS O A 49 TYR N 1.0 2.2 3.3 25 25 A 60 PHE H A 46 TYR O 1.0 1.8 2.2 26 26 A 46 TYR O A 60 PHE N 1.0 2.2 3.3 27 27 A 60 PHE O A 46 TYR H 1.0 1.8 2.2 28 28 A 60 PHE O A 46 TYR N 1.0 2.2 3.3 29 29 A 58 GLY H A 48 GLY O 1.0 1.8 2.2 30 30 A 48 GLY O A 58 GLY N 1.0 2.2 3.3 31 31 A 48 GLY H A 58 GLY O 1.0 1.8 2.2 32 32 A 58 GLY O A 48 GLY N 1.0 2.2 3.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 4 TRP C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -132.97 -50.97 PHI 2 2 A 7 THR C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -162.75 -60.75 PHI 3 3 A 12 LYS C A 13 TYR N A 13 TYR CA A 13 TYR C 1.0 -164.16 -94.16 PHI 4 4 A 14 GLY C A 15 VAL N A 15 VAL CA A 15 VAL C 1.0 -163.03 -83.03 PHI 5 5 A 15 VAL C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -145.13 -49.13 PHI 6 6 A 16 ALA C A 17 PHE N A 17 PHE CA A 17 PHE C 1.0 -138.43 -80.43 PHI 7 7 A 17 PHE C A 18 TYR N A 18 TYR CA A 18 TYR C 1.0 -160.30 -110.30 PHI 8 8 A 19 ASN C A 20 TYR N A 20 TYR CA A 20 TYR C 1.0 -175.02 -71.02 PHI 9 9 A 20 TYR C A 21 ASP N A 21 ASP CA A 21 ASP C 1.0 -152.88 -76.88 PHI 10 10 A 21 ASP C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -134.10 -30.10 PHI 11 11 A 24 GLY C A 25 ALA N A 25 ALA CA A 25 ALA C 1.0 -72.02 -50.02 PHI 12 12 A 26 ASP C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -171.70 -89.70 PHI 13 13 A 27 GLU C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -159.42 -97.42 PHI 14 14 A 29 SER C A 30 LEU N A 30 LEU CA A 30 LEU C 1.0 -164.43 -102.43 PHI 15 15 A 30 LEU C A 31 GLN N A 31 GLN CA A 31 GLN C 1.0 -180.99 -48.99 PHI 16 16 A 31 GLN C A 32 ILE N A 32 ILE CA A 32 ILE C 1.0 -72.60 -36.60 PHI 17 17 A 32 ILE C A 33 GLY N A 33 GLY CA A 33 GLY C 1.0 86.80 104.80 PHI 18 18 A 33 GLY C A 34 ASP N A 34 ASP CA A 34 ASP C 1.0 -95.19 -51.19 PHI 19 19 A 34 ASP C A 35 THR N A 35 THR CA A 35 THR C 1.0 -122.00 -92.00 PHI 20 20 A 35 THR C A 36 VAL N A 36 VAL CA A 36 VAL C 1.0 -167.87 -87.87 PHI 21 21 A 36 VAL C A 37 HIS N A 37 HIS CA A 37 HIS C 1.0 -142.01 -98.01 PHI 22 22 A 37 HIS C A 38 ILE N A 38 ILE CA A 38 ILE C 1.0 -138.35 -46.35 PHI 23 23 A 39 LEU C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -180.82 -106.82 PHI 24 24 A 40 GLU C A 41 THR N A 41 THR CA A 41 THR C 1.0 -162.96 -58.96 PHI 25 25 A 45 TRP C A 46 TYR N A 46 TYR CA A 46 TYR C 1.0 -152.06 -120.06 PHI 26 26 A 46 TYR C A 47 ARG N A 47 ARG CA A 47 ARG C 1.0 -136.19 -92.19 PHI 27 27 A 49 TYR C A 50 THR N A 50 THR CA A 50 THR C 1.0 -150.39 -50.39 PHI 28 28 A 52 ARG C A 53 LYS N A 53 LYS CA A 53 LYS C 1.0 -157.33 -55.33 PHI 29 29 A 53 LYS C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -80.72 -44.72 PHI 30 30 A 55 SER C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -131.09 -61.09 PHI 31 31 A 56 LYS C A 57 LYS N A 57 LYS CA A 57 LYS C 1.0 -137.94 -69.94 PHI 32 32 A 58 GLY C A 59 ILE N A 59 ILE CA A 59 ILE C 1.0 -190.70 -96.70 PHI 33 33 A 59 ILE C A 60 PHE N A 60 PHE CA A 60 PHE C 1.0 -159.88 -41.88 PHI 34 34 A 61 PRO C A 62 ALA N A 62 ALA CA A 62 ALA C 1.0 -70.41 -42.41 PHI 35 35 A 62 ALA C A 63 SER N A 63 SER CA A 63 SER C 1.0 -101.76 -49.76 PHI 36 36 A 64 TYR C A 65 ILE N A 65 ILE CA A 65 ILE C 1.0 -174.08 -78.08 PHI 37 37 A 65 ILE C A 66 HIS N A 66 HIS CA A 66 HIS C 1.0 -148.51 -66.51 PHI 38 38 A 66 HIS C A 67 LEU N A 67 LEU CA A 67 LEU C 1.0 -117.31 -53.31 PHI 39 39 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 PRO N 1.0 90.02 184.02 PSI 40 40 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 ARG N 1.0 82.90 180.90 PSI 41 41 A 13 TYR N A 13 TYR CA A 13 TYR C A 14 GLY N 1.0 147.85 179.85 PSI 42 42 A 15 VAL N A 15 VAL CA A 15 VAL C A 16 ALA N 1.0 130.71 154.71 PSI 43 43 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 PHE N 1.0 98.03 148.03 PSI 44 44 A 17 PHE N A 17 PHE CA A 17 PHE C A 18 TYR N 1.0 93.55 161.55 PSI 45 45 A 18 TYR N A 18 TYR CA A 18 TYR C A 19 ASN N 1.0 146.61 184.61 PSI 46 46 A 20 TYR N A 20 TYR CA A 20 TYR C A 21 ASP N 1.0 108.19 154.19 PSI 47 47 A 21 ASP N A 21 ASP CA A 21 ASP C A 22 ALA N 1.0 86.33 170.33 PSI 48 48 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 ARG N 1.0 84.31 180.31 PSI 49 49 A 25 ALA N A 25 ALA CA A 25 ALA C A 26 ASP N 1.0 -50.98 -6.98 PSI 50 50 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 LEU N 1.0 119.63 189.63 PSI 51 51 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 SER N 1.0 126.49 170.49 PSI 52 52 A 30 LEU N A 30 LEU CA A 30 LEU C A 31 GLN N 1.0 125.64 165.64 PSI 53 53 A 31 GLN N A 31 GLN CA A 31 GLN C A 32 ILE N 1.0 137.13 189.13 PSI 54 54 A 32 ILE N A 32 ILE CA A 32 ILE C A 33 GLY N 1.0 123.84 143.84 PSI 55 55 A 33 GLY N A 33 GLY CA A 33 GLY C A 34 ASP N 1.0 -31.58 0.42 PSI 56 56 A 34 ASP N A 34 ASP CA A 34 ASP C A 35 THR N 1.0 120.72 164.72 PSI 57 57 A 35 THR N A 35 THR CA A 35 THR C A 36 VAL N 1.0 110.34 162.34 PSI 58 58 A 36 VAL N A 36 VAL CA A 36 VAL C A 37 HIS N 1.0 137.20 173.20 PSI 59 59 A 37 HIS N A 37 HIS CA A 37 HIS C A 38 ILE N 1.0 108.42 144.42 PSI 60 60 A 38 ILE N A 38 ILE CA A 38 ILE C A 39 LEU N 1.0 101.59 147.59 PSI 61 61 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 THR N 1.0 142.42 166.42 PSI 62 62 A 41 THR N A 41 THR CA A 41 THR C A 42 TYR N 1.0 90.75 184.75 PSI 63 63 A 46 TYR N A 46 TYR CA A 46 TYR C A 47 ARG N 1.0 147.12 179.12 PSI 64 64 A 47 ARG N A 47 ARG CA A 47 ARG C A 48 GLY N 1.0 100.27 154.27 PSI 65 65 A 50 THR N A 50 THR CA A 50 THR C A 51 LEU N 1.0 143.36 191.36 PSI 66 66 A 53 LYS N A 53 LYS CA A 53 LYS C A 54 LYS N 1.0 55.46 169.46 PSI 67 67 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 SER N 1.0 -51.59 6.41 PSI 68 68 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 LYS N 1.0 69.90 165.90 PSI 69 69 A 57 LYS N A 57 LYS CA A 57 LYS C A 58 GLY N 1.0 117.20 179.20 PSI 70 70 A 59 ILE N A 59 ILE CA A 59 ILE C A 60 PHE N 1.0 155.18 179.18 PSI 71 71 A 60 PHE N A 60 PHE CA A 60 PHE C A 61 PRO N 1.0 128.86 176.86 PSI 72 72 A 61 PRO N A 61 PRO CA A 61 PRO C A 62 ALA N 1.0 131.93 163.93 PSI 73 73 A 62 ALA N A 62 ALA CA A 62 ALA C A 63 SER N 1.0 -46.21 -10.21 PSI 74 74 A 63 SER N A 63 SER CA A 63 SER C A 64 TYR N 1.0 -38.77 11.23 PSI 75 75 A 65 ILE N A 65 ILE CA A 65 ILE C A 66 HIS N 1.0 122.67 182.67 PSI 76 76 A 66 HIS N A 66 HIS CA A 66 HIS C A 67 LEU N 1.0 112.47 136.47 PSI 77 77 A 67 LEU N A 67 LEU CA A 67 LEU C A 68 LYS N 1.0 92.95 158.95 PSI stop_ save_