data_nef_c30197_5tr5 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5TR5 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 64 GLN C 1 65 SEP N 1 65 SEP C 1 66 ILE N stop_ 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 ILE middle . . 3 A 3 VAL middle . . 4 A 4 PHE middle . . 5 A 5 VAL middle . . 6 A 6 ARG middle . . 7 A 7 PHE middle . . 8 A 8 ASN middle . . 9 A 9 SER middle . . 10 A 10 SER middle . . 11 A 11 HIS middle . . 12 A 12 GLY middle . false 13 A 13 PHE middle . . 14 A 14 PRO middle . false 15 A 15 VAL middle . . 16 A 16 GLU middle . . 17 A 17 VAL middle . . 18 A 18 ASP middle . . 19 A 19 SER middle . . 20 A 20 ASP middle . . 21 A 21 THR middle . . 22 A 22 SER middle . . 23 A 23 ILE middle . . 24 A 24 PHE middle . . 25 A 25 GLN middle . . 26 A 26 LEU middle . . 27 A 27 LYS middle . . 28 A 28 GLU middle . . 29 A 29 VAL middle . . 30 A 30 VAL middle . . 31 A 31 ALA middle . . 32 A 32 LYS middle . . 33 A 33 ARG middle . . 34 A 34 GLN middle . . 35 A 35 GLY middle . false 36 A 36 VAL middle . . 37 A 37 PRO middle . false 38 A 38 ALA middle . . 39 A 39 ASP middle . . 40 A 40 GLN middle . . 41 A 41 LEU middle . . 42 A 42 ARG middle . . 43 A 43 VAL middle . . 44 A 44 ILE middle . . 45 A 45 PHE middle . . 46 A 46 ALA middle . . 47 A 47 GLY middle . false 48 A 48 LYS middle . . 49 A 49 GLU middle . . 50 A 50 LEU middle . . 51 A 51 ARG middle . . 52 A 52 ASN middle . . 53 A 53 ASP middle . . 54 A 54 TRP middle . . 55 A 55 THR middle . . 56 A 56 VAL middle . . 57 A 57 GLN middle . . 58 A 58 ASN middle . . 59 A 59 CYS middle . . 60 A 60 ASP middle . . 61 A 61 LEU middle . . 62 A 62 ASP middle . . 63 A 63 GLN middle . . 64 A 64 GLN middle -OXT . 65 A 65 SEP middle -H2,-OXT . 66 A 66 ILE middle -H2 . 67 A 67 VAL middle . . 68 A 68 HIS middle . . 69 A 69 ILE middle . . 70 A 70 VAL middle . . 71 A 71 GLN middle . . 72 A 72 ARG middle . . 73 A 73 PRO middle . false 74 A 74 TRP middle . . 75 A 75 ARG middle . . 76 A 76 LYS end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.1390 0.0000 A 1 MET HBx H 1 2.0550 0.0000 A 1 MET HBy H 1 2.1320 0.0000 A 1 MET HE% H 1 1.8970 0.0000 A 1 MET HGx H 1 2.3250 0.0000 A 1 MET C C 13 171.0060 0.0000 A 1 MET CA C 13 55.0880 0.0000 A 1 MET CB C 13 33.8470 0.0000 A 1 MET CE C 13 16.9800 0.0000 A 1 MET CG C 13 30.4600 0.0000 A 2 ILE H H 1 8.7200 0.0000 A 2 ILE HA H 1 4.7940 0.0000 A 2 ILE HB H 1 1.7220 0.0000 A 2 ILE HD1% H 1 0.7600 0.0000 A 2 ILE HG1y H 1 1.4970 0.0000 A 2 ILE HG1x H 1 1.1460 0.0000 A 2 ILE HG2% H 1 0.6180 0.0000 A 2 ILE C C 13 175.7417 0.0000 A 2 ILE CA C 13 59.6130 0.0000 A 2 ILE CB C 13 38.7690 0.0000 A 2 ILE CD1 C 13 11.7590 0.0000 A 2 ILE CG1 C 13 27.4110 0.0000 A 2 ILE CG2 C 13 18.1890 0.0000 A 2 ILE N N 15 124.5210 0.0000 A 3 VAL H H 1 8.7710 0.0000 A 3 VAL HA H 1 4.3910 0.0000 A 3 VAL HB H 1 1.8480 0.0000 A 3 VAL HGx% H 1 0.6890 0.0000 A 3 VAL HGy% H 1 0.6890 0.0000 A 3 VAL C C 13 173.4854 0.0000 A 3 VAL CA C 13 59.4450 0.0000 A 3 VAL CB C 13 34.2960 0.0000 A 3 VAL CGy C 13 21.5000 0.0000 A 3 VAL CGx C 13 20.4740 0.0000 A 3 VAL N N 15 123.8720 0.0000 A 4 PHE H H 1 9.0650 0.0000 A 4 PHE HA H 1 4.6200 0.0000 A 4 PHE HBx H 1 2.9100 0.0000 A 4 PHE HDx H 1 6.9700 0.0000 A 4 PHE HEx H 1 7.1900 0.0000 A 4 PHE C C 13 174.1191 0.0000 A 4 PHE CA C 13 58.2810 0.0000 A 4 PHE CB C 13 40.2670 0.0000 A 4 PHE CDx C 13 131.4300 0.0000 A 4 PHE CEx C 13 131.1270 0.0000 A 4 PHE N N 15 126.2540 0.0000 A 5 VAL H H 1 8.2260 0.0000 A 5 VAL HA H 1 4.7940 0.0000 A 5 VAL HB H 1 1.2700 0.0000 A 5 VAL HGx% H 1 0.4570 0.0000 A 5 VAL HGy% H 1 0.5820 0.0000 A 5 VAL C C 13 174.5123 0.0000 A 5 VAL CA C 13 59.4060 0.0000 A 5 VAL CB C 13 33.9870 0.0000 A 5 VAL CGx C 13 21.4190 0.0000 A 5 VAL CGy C 13 21.4190 0.0000 A 5 VAL N N 15 123.1650 0.0000 A 6 ARG H H 1 8.3730 0.0000 A 6 ARG HA H 1 5.0100 0.0000 A 6 ARG HBx H 1 1.3550 0.0000 A 6 ARG HBy H 1 1.5440 0.0000 A 6 ARG HDx H 1 2.9570 0.0000 A 6 ARG HGx H 1 1.4800 0.0000 A 6 ARG C C 13 174.5313 0.0000 A 6 ARG CA C 13 54.9100 0.0000 A 6 ARG CB C 13 32.5290 0.0000 A 6 ARG CD C 13 43.5850 0.0000 A 6 ARG CG C 13 27.0360 0.0000 A 6 ARG N N 15 122.4280 0.0000 A 7 PHE H H 1 9.1320 0.0000 A 7 PHE HA H 1 5.4890 0.0000 A 7 PHE HBx H 1 2.7190 0.0000 A 7 PHE HBy H 1 3.1580 0.0000 A 7 PHE HDx H 1 7.1200 0.0000 A 7 PHE HEx H 1 7.2370 0.0000 A 7 PHE HZ H 1 7.1770 0.0000 A 7 PHE C C 13 174.9323 0.0000 A 7 PHE CA C 13 55.8440 0.0000 A 7 PHE CB C 13 41.3910 0.0000 A 7 PHE CDx C 13 131.9770 0.0000 A 7 PHE CEx C 13 131.4780 0.0000 A 7 PHE CZ C 13 129.6970 0.0000 A 7 PHE N N 15 127.8730 0.0000 A 8 ASN H H 1 9.1250 0.0000 A 8 ASN HA H 1 4.2700 0.0000 A 8 ASN HBx H 1 2.4430 0.0000 A 8 ASN HBy H 1 2.9450 0.0000 A 8 ASN CA C 13 54.4980 0.0000 A 8 ASN CB C 13 37.0610 0.0000 A 8 ASN N N 15 126.2150 0.0000 A 9 SER HA H 1 4.2120 0.0000 A 9 SER HBx H 1 4.0400 0.0000 A 9 SER C C 13 174.6714 0.0000 A 9 SER CA C 13 59.4000 0.0000 A 9 SER CB C 13 63.1020 0.0000 A 10 SER H H 1 8.3080 0.0000 A 10 SER HA H 1 4.5780 0.0000 A 10 SER HBx H 1 4.1130 0.0000 A 10 SER CA C 13 59.1250 0.0000 A 10 SER CB C 13 65.0000 0.0000 A 10 SER N N 15 116.1360 0.0000 A 11 HIS H H 1 8.1690 0.0000 A 11 HIS HA H 1 4.8630 0.0000 A 11 HIS HBx H 1 3.2650 0.0000 A 11 HIS HBy H 1 3.3200 0.0000 A 11 HIS HD2 H 1 7.2200 0.0000 A 11 HIS HE1 H 1 7.8960 0.0000 A 11 HIS C C 13 175.7495 0.0000 A 11 HIS CA C 13 56.6800 0.0000 A 11 HIS CB C 13 32.0030 0.0000 A 11 HIS CD2 C 13 119.7120 0.0000 A 11 HIS CE1 C 13 138.9200 0.0000 A 11 HIS N N 15 119.7690 0.0000 A 11 HIS ND1 N 15 230.7335 0.0000 A 11 HIS NE2 N 15 179.0560 0.0000 A 12 GLY H H 1 8.7720 0.0000 A 12 GLY HAx H 1 3.5860 0.0000 A 12 GLY HAy H 1 4.8500 0.0000 A 12 GLY C C 13 173.0782 0.0000 A 12 GLY CA C 13 45.4790 0.0000 A 12 GLY N N 15 111.6280 0.0000 A 13 PHE H H 1 8.3910 0.0000 A 13 PHE HA H 1 5.1000 0.0000 A 13 PHE HBy H 1 3.2350 0.0000 A 13 PHE HBx H 1 3.0000 0.0000 A 13 PHE HDx H 1 6.9400 0.0000 A 13 PHE HEx H 1 6.9250 0.0000 A 13 PHE HZ H 1 6.8000 0.0000 A 13 PHE CA C 13 54.0280 0.0000 A 13 PHE CB C 13 38.6260 0.0000 A 13 PHE CDx C 13 133.8300 0.0000 A 13 PHE CEx C 13 129.6400 0.0000 A 13 PHE CZ C 13 127.5700 0.0000 A 13 PHE N N 15 120.0920 0.0000 A 14 PRO HA H 1 4.9120 0.0000 A 14 PRO HBx H 1 1.7590 0.0000 A 14 PRO HBy H 1 1.8790 0.0000 A 14 PRO HDx H 1 3.8450 0.0000 A 14 PRO HDy H 1 3.9700 0.0000 A 14 PRO HGx H 1 2.1920 0.0000 A 14 PRO C C 13 177.2480 0.0000 A 14 PRO CA C 13 61.6490 0.0000 A 14 PRO CB C 13 32.6710 0.0000 A 14 PRO CD C 13 50.3560 0.0000 A 14 PRO CG C 13 26.7840 0.0000 A 15 VAL H H 1 9.0530 0.0000 A 15 VAL HA H 1 4.2820 0.0000 A 15 VAL HB H 1 1.8390 0.0000 A 15 VAL HGx% H 1 0.8450 0.0000 A 15 VAL HGy% H 1 0.8450 0.0000 A 15 VAL C C 13 173.6312 0.0000 A 15 VAL CA C 13 61.1970 0.0000 A 15 VAL CB C 13 35.2860 0.0000 A 15 VAL CGx C 13 21.8730 0.0000 A 15 VAL CGy C 13 21.9000 0.0000 A 15 VAL N N 15 119.9540 0.0000 A 16 GLU H H 1 8.3620 0.0000 A 16 GLU HA H 1 5.0440 0.0000 A 16 GLU HBy H 1 1.9540 0.0000 A 16 GLU HBx H 1 1.7940 0.0000 A 16 GLU HGx H 1 2.1120 0.0000 A 16 GLU C C 13 175.9037 0.0000 A 16 GLU CA C 13 55.5000 0.0000 A 16 GLU CB C 13 30.4610 0.0000 A 16 GLU CG C 13 36.4000 0.0000 A 16 GLU N N 15 126.4180 0.0000 A 17 VAL H H 1 8.7640 0.0000 A 17 VAL HA H 1 4.7210 0.0000 A 17 VAL HB H 1 2.3290 0.0000 A 17 VAL HGx% H 1 0.8550 0.0000 A 17 VAL HGy% H 1 0.6860 0.0000 A 17 VAL C C 13 173.9201 0.0000 A 17 VAL CA C 13 58.7690 0.0000 A 17 VAL CB C 13 35.6080 0.0000 A 17 VAL CGy C 13 22.9000 0.0000 A 17 VAL CGx C 13 19.1000 0.0000 A 17 VAL N N 15 118.3310 0.0000 A 18 ASP H H 1 8.6230 0.0000 A 18 ASP HA H 1 4.9520 0.0000 A 18 ASP HBy H 1 2.8390 0.0000 A 18 ASP HBx H 1 2.6970 0.0000 A 18 ASP C C 13 177.5003 0.0000 A 18 ASP CA C 13 53.2210 0.0000 A 18 ASP CB C 13 43.2040 0.0000 A 18 ASP N N 15 120.8090 0.0000 A 19 SER H H 1 8.7540 0.0000 A 19 SER HA H 1 3.9750 0.0000 A 19 SER HBx H 1 3.8870 0.0000 A 19 SER C C 13 173.5215 0.0000 A 19 SER CA C 13 62.0890 0.0000 A 19 SER CB C 13 63.3140 0.0000 A 19 SER N N 15 115.9110 0.0000 A 20 ASP H H 1 8.0850 0.0000 A 20 ASP HA H 1 4.7400 0.0000 A 20 ASP HBx H 1 2.7270 0.0000 A 20 ASP HBy H 1 2.7800 0.0000 A 20 ASP C C 13 175.9123 0.0000 A 20 ASP CA C 13 53.2720 0.0000 A 20 ASP CB C 13 40.5960 0.0000 A 20 ASP N N 15 115.6290 0.0000 A 21 THR H H 1 7.6180 0.0000 A 21 THR HA H 1 4.2000 0.0000 A 21 THR HB H 1 4.1110 0.0000 A 21 THR HG2% H 1 1.4120 0.0000 A 21 THR C C 13 173.9567 0.0000 A 21 THR CA C 13 64.5780 0.0000 A 21 THR CB C 13 69.8140 0.0000 A 21 THR CG2 C 13 21.8000 0.0000 A 21 THR N N 15 119.1650 0.0000 A 22 SER H H 1 8.9830 0.0000 A 22 SER HA H 1 5.1940 0.0000 A 22 SER HBx H 1 4.1120 0.0000 A 22 SER HBy H 1 4.6490 0.0000 A 22 SER C C 13 175.5415 0.0000 A 22 SER CA C 13 57.0130 0.0000 A 22 SER CB C 13 65.9930 0.0000 A 22 SER N N 15 123.3020 0.0000 A 23 ILE H H 1 8.8490 0.0000 A 23 ILE HA H 1 3.8370 0.0000 A 23 ILE HB H 1 2.7090 0.0000 A 23 ILE HD1% H 1 0.6640 0.0000 A 23 ILE HG1y H 1 1.7340 0.0000 A 23 ILE HG1x H 1 1.4060 0.0000 A 23 ILE HG2% H 1 0.8140 0.0000 A 23 ILE C C 13 178.7184 0.0000 A 23 ILE CA C 13 61.6390 0.0000 A 23 ILE CB C 13 33.8830 0.0000 A 23 ILE CD1 C 13 8.8240 0.0000 A 23 ILE CG1 C 13 27.5000 0.0000 A 23 ILE CG2 C 13 17.7000 0.0000 A 23 ILE N N 15 122.8050 0.0000 A 24 PHE H H 1 8.9640 0.0000 A 24 PHE HA H 1 3.9800 0.0000 A 24 PHE HBx H 1 2.9630 0.0000 A 24 PHE HBy H 1 3.0780 0.0000 A 24 PHE HDx H 1 7.0690 0.0000 A 24 PHE HEx H 1 7.2400 0.0000 A 24 PHE C C 13 176.9780 0.0000 A 24 PHE CA C 13 62.7780 0.0000 A 24 PHE CB C 13 39.4770 0.0000 A 24 PHE CDx C 13 131.5710 0.0000 A 24 PHE CEx C 13 131.4780 0.0000 A 24 PHE N N 15 120.9790 0.0000 A 25 GLN H H 1 8.0720 0.0000 A 25 GLN HA H 1 4.0200 0.0000 A 25 GLN HBx H 1 1.6700 0.0000 A 25 GLN HGy H 1 2.5450 0.0000 A 25 GLN HGx H 1 1.9290 0.0000 A 25 GLN C C 13 179.1192 0.0000 A 25 GLN CA C 13 59.1480 0.0000 A 25 GLN CB C 13 28.8460 0.0000 A 25 GLN CG C 13 35.0000 0.0000 A 25 GLN N N 15 118.9530 0.0000 A 26 LEU H H 1 8.2630 0.0000 A 26 LEU HA H 1 3.9870 0.0000 A 26 LEU HBx H 1 1.3410 0.0000 A 26 LEU HBy H 1 2.2420 0.0000 A 26 LEU HDx% H 1 0.7540 0.0000 A 26 LEU HDy% H 1 0.7420 0.0000 A 26 LEU HG H 1 1.5200 0.0000 A 26 LEU C C 13 178.1047 0.0000 A 26 LEU CA C 13 58.4970 0.0000 A 26 LEU CB C 13 41.6130 0.0000 A 26 LEU CDy C 13 25.8500 0.0000 A 26 LEU CDx C 13 23.8080 0.0000 A 26 LEU CG C 13 26.7200 0.0000 A 26 LEU N N 15 122.0560 0.0000 A 27 LYS H H 1 8.3510 0.0000 A 27 LYS HA H 1 3.5760 0.0000 A 27 LYS HBy H 1 2.0750 0.0000 A 27 LYS HBx H 1 1.6130 0.0000 A 27 LYS HDy H 1 1.7060 0.0000 A 27 LYS HDx H 1 0.9700 0.0000 A 27 LYS HGy H 1 1.6900 0.0000 A 27 LYS HGx H 1 0.9500 0.0000 A 27 LYS CA C 13 60.9570 0.0000 A 27 LYS CB C 13 32.4730 0.0000 A 27 LYS CD C 13 27.0780 0.0000 A 27 LYS CE C 13 43.3810 0.0000 A 27 LYS CG C 13 27.0780 0.0000 A 27 LYS N N 15 117.5220 0.0000 A 28 GLU H H 1 7.9520 0.0000 A 28 GLU HA H 1 3.8080 0.0000 A 28 GLU HBx H 1 1.8860 0.0000 A 28 GLU HBy H 1 2.0440 0.0000 A 28 GLU HGy H 1 1.9940 0.0000 A 28 GLU HGx H 1 1.7460 0.0000 A 28 GLU C C 13 179.2627 0.0000 A 28 GLU CA C 13 60.1690 0.0000 A 28 GLU CB C 13 29.9160 0.0000 A 28 GLU CG C 13 37.3000 0.0000 A 28 GLU N N 15 118.2590 0.0000 A 29 VAL H H 1 7.8810 0.0000 A 29 VAL HA H 1 3.6630 0.0000 A 29 VAL HB H 1 2.2930 0.0000 A 29 VAL HGx% H 1 1.1330 0.0000 A 29 VAL HGy% H 1 0.9880 0.0000 A 29 VAL C C 13 179.2818 0.0000 A 29 VAL CA C 13 66.5110 0.0000 A 29 VAL CB C 13 32.0530 0.0000 A 29 VAL CGy C 13 22.1880 0.0000 A 29 VAL CGx C 13 21.2450 0.0000 A 29 VAL N N 15 119.8730 0.0000 A 30 VAL H H 1 7.8460 0.0000 A 30 VAL HA H 1 3.4100 0.0000 A 30 VAL HB H 1 2.0090 0.0000 A 30 VAL HGx% H 1 1.0990 0.0000 A 30 VAL HGy% H 1 0.8760 0.0000 A 30 VAL C C 13 176.6159 0.0000 A 30 VAL CA C 13 66.9450 0.0000 A 30 VAL CB C 13 31.4660 0.0000 A 30 VAL CGy C 13 23.6010 0.0000 A 30 VAL CGx C 13 22.2250 0.0000 A 30 VAL N N 15 121.0280 0.0000 A 31 ALA H H 1 9.1560 0.0000 A 31 ALA HA H 1 3.8070 0.0000 A 31 ALA HB% H 1 1.5880 0.0000 A 31 ALA C C 13 180.4261 0.0000 A 31 ALA CA C 13 55.7070 0.0000 A 31 ALA CB C 13 18.6870 0.0000 A 31 ALA N N 15 124.1410 0.0000 A 32 LYS H H 1 7.7380 0.0000 A 32 LYS HA H 1 4.0200 0.0000 A 32 LYS HBx H 1 1.8850 0.0000 A 32 LYS HDx H 1 1.6700 0.0000 A 32 LYS HEx H 1 2.9530 0.0000 A 32 LYS HGx H 1 1.4420 0.0000 A 32 LYS HGy H 1 1.5650 0.0000 A 32 LYS C C 13 179.0763 0.0000 A 32 LYS CA C 13 58.6550 0.0000 A 32 LYS CB C 13 32.2840 0.0000 A 32 LYS CD C 13 29.1120 0.0000 A 32 LYS CE C 13 41.9890 0.0000 A 32 LYS CG C 13 25.2590 0.0000 A 32 LYS N N 15 116.6700 0.0000 A 33 ARG H H 1 7.4730 0.0000 A 33 ARG HA H 1 3.9230 0.0000 A 33 ARG HBx H 1 1.7400 0.0000 A 33 ARG HDy H 1 2.6600 0.0000 A 33 ARG HDx H 1 2.4180 0.0000 A 33 ARG HGx H 1 1.4050 0.0000 A 33 ARG C C 13 178.0401 0.0000 A 33 ARG CA C 13 58.6250 0.0000 A 33 ARG CB C 13 30.4250 0.0000 A 33 ARG CD C 13 43.2660 0.0000 A 33 ARG CG C 13 26.9540 0.0000 A 33 ARG N N 15 119.1250 0.0000 A 34 GLN H H 1 8.0970 0.0000 A 34 GLN HA H 1 4.0640 0.0000 A 34 GLN HBx H 1 1.3470 0.0000 A 34 GLN HBy H 1 1.8040 0.0000 A 34 GLN HE2x H 1 6.3250 0.0000 A 34 GLN HE2y H 1 6.4710 0.0000 A 34 GLN HGy H 1 1.7910 0.0000 A 34 GLN HGx H 1 0.8000 0.0000 A 34 GLN C C 13 176.2521 0.0000 A 34 GLN CA C 13 54.4020 0.0000 A 34 GLN CB C 13 29.9890 0.0000 A 34 GLN CG C 13 33.6550 0.0000 A 34 GLN N N 15 112.5320 0.0000 A 34 GLN NE2 N 15 107.7580 0.0000 A 35 GLY H H 1 8.0190 0.0000 A 35 GLY HAx H 1 3.8920 0.0000 A 35 GLY C C 13 174.4830 0.0000 A 35 GLY CA C 13 46.9120 0.0000 A 35 GLY N N 15 110.2020 0.0000 A 36 VAL H H 1 7.5780 0.0000 A 36 VAL HA H 1 4.8270 0.0000 A 36 VAL HB H 1 2.0150 0.0000 A 36 VAL HGx% H 1 0.7580 0.0000 A 36 VAL HGy% H 1 0.9330 0.0000 A 36 VAL CA C 13 57.7160 0.0000 A 36 VAL CB C 13 33.9060 0.0000 A 36 VAL CGx C 13 19.6320 0.0000 A 36 VAL CGy C 13 21.2600 0.0000 A 36 VAL N N 15 114.3080 0.0000 A 37 PRO HA H 1 4.4080 0.0000 A 37 PRO HBy H 1 2.3970 0.0000 A 37 PRO HBx H 1 1.9120 0.0000 A 37 PRO HDy H 1 3.8010 0.0000 A 37 PRO HDx H 1 3.3730 0.0000 A 37 PRO HGx H 1 1.9190 0.0000 A 37 PRO HGy H 1 2.0400 0.0000 A 37 PRO C C 13 178.5180 0.0000 A 37 PRO CA C 13 62.6110 0.0000 A 37 PRO CB C 13 32.4720 0.0000 A 37 PRO CD C 13 50.9370 0.0000 A 37 PRO CG C 13 28.2440 0.0000 A 38 ALA H H 1 8.8550 0.0000 A 38 ALA HA H 1 3.7000 0.0000 A 38 ALA HB% H 1 1.1990 0.0000 A 38 ALA C C 13 179.4687 0.0000 A 38 ALA CA C 13 55.5090 0.0000 A 38 ALA CB C 13 18.6190 0.0000 A 38 ALA N N 15 126.3140 0.0000 A 39 ASP H H 1 8.4770 0.0000 A 39 ASP HA H 1 4.4990 0.0000 A 39 ASP HBy H 1 2.8460 0.0000 A 39 ASP HBx H 1 2.7220 0.0000 A 39 ASP C C 13 177.1312 0.0000 A 39 ASP CA C 13 55.3240 0.0000 A 39 ASP CB C 13 40.0120 0.0000 A 39 ASP N N 15 113.1680 0.0000 A 40 GLN H H 1 7.6170 0.0000 A 40 GLN HA H 1 4.3880 0.0000 A 40 GLN HBx H 1 1.9080 0.0000 A 40 GLN HBy H 1 2.5260 0.0000 A 40 GLN HGx H 1 2.3760 0.0000 A 40 GLN HGy H 1 2.5260 0.0000 A 40 GLN C C 13 174.8888 0.0000 A 40 GLN CA C 13 55.4000 0.0000 A 40 GLN CB C 13 29.2860 0.0000 A 40 GLN CG C 13 34.0910 0.0000 A 40 GLN N N 15 116.6920 0.0000 A 41 LEU H H 1 7.5130 0.0000 A 41 LEU HA H 1 5.0880 0.0000 A 41 LEU HBx H 1 1.0700 0.0000 A 41 LEU HBy H 1 1.9400 0.0000 A 41 LEU HDx% H 1 0.8030 0.0000 A 41 LEU HDy% H 1 0.7510 0.0000 A 41 LEU HG H 1 1.4390 0.0000 A 41 LEU C C 13 176.6711 0.0000 A 41 LEU CA C 13 54.2250 0.0000 A 41 LEU CB C 13 43.2470 0.0000 A 41 LEU CDy C 13 25.9020 0.0000 A 41 LEU CDx C 13 23.1070 0.0000 A 41 LEU CG C 13 27.5400 0.0000 A 41 LEU N N 15 117.4240 0.0000 A 42 ARG H H 1 8.9310 0.0000 A 42 ARG HA H 1 4.5420 0.0000 A 42 ARG HBx H 1 1.5680 0.0000 A 42 ARG HDx H 1 3.0600 0.0000 A 42 ARG HDy H 1 3.1700 0.0000 A 42 ARG HGx H 1 1.5650 0.0000 A 42 ARG C C 13 174.4251 0.0000 A 42 ARG CA C 13 54.3470 0.0000 A 42 ARG CB C 13 33.2430 0.0000 A 42 ARG CD C 13 43.5020 0.0000 A 42 ARG CG C 13 27.0950 0.0000 A 42 ARG N N 15 120.3630 0.0000 A 43 VAL H H 1 8.7250 0.0000 A 43 VAL HA H 1 4.7580 0.0000 A 43 VAL HB H 1 1.9530 0.0000 A 43 VAL HGx% H 1 0.8770 0.0000 A 43 VAL HGy% H 1 0.8460 0.0000 A 43 VAL C C 13 173.7677 0.0000 A 43 VAL CA C 13 61.5430 0.0000 A 43 VAL CB C 13 32.4480 0.0000 A 43 VAL CGx C 13 22.3020 0.0000 A 43 VAL CGy C 13 22.3020 0.0000 A 43 VAL N N 15 123.1770 0.0000 A 44 ILE H H 1 9.3810 0.0000 A 44 ILE HA H 1 4.8800 0.0000 A 44 ILE HB H 1 1.7920 0.0000 A 44 ILE HD1% H 1 0.5900 0.0000 A 44 ILE HG1y H 1 1.2700 0.0000 A 44 ILE HG1x H 1 0.9800 0.0000 A 44 ILE HG2% H 1 0.6500 0.0000 A 44 ILE C C 13 174.8454 0.0000 A 44 ILE CA C 13 59.3050 0.0000 A 44 ILE CB C 13 40.1310 0.0000 A 44 ILE CD1 C 13 12.4090 0.0000 A 44 ILE CG1 C 13 27.5480 0.0000 A 44 ILE CG2 C 13 17.4910 0.0000 A 44 ILE N N 15 128.7590 0.0000 A 45 PHE H H 1 9.1760 0.0000 A 45 PHE HA H 1 5.0280 0.0000 A 45 PHE HBx H 1 2.9740 0.0000 A 45 PHE HDx H 1 7.3500 0.0000 A 45 PHE HEx H 1 7.3900 0.0000 A 45 PHE HZ H 1 7.4200 0.0000 A 45 PHE C C 13 174.6714 0.0000 A 45 PHE CA C 13 57.0510 0.0000 A 45 PHE CB C 13 43.6440 0.0000 A 45 PHE CDx C 13 132.1080 0.0000 A 45 PHE CEx C 13 132.1610 0.0000 A 45 PHE CZ C 13 130.5200 0.0000 A 45 PHE N N 15 126.4440 0.0000 A 46 ALA H H 1 9.1100 0.0000 A 46 ALA HA H 1 3.7970 0.0000 A 46 ALA HB% H 1 1.0160 0.0000 A 46 ALA C C 13 177.5685 0.0000 A 46 ALA CA C 13 52.7130 0.0000 A 46 ALA CB C 13 16.8640 0.0000 A 46 ALA N N 15 133.0108 0.0000 A 47 GLY H H 1 8.4310 0.0000 A 47 GLY HAx H 1 3.4530 0.0000 A 47 GLY HAy H 1 4.0880 0.0000 A 47 GLY C C 13 173.7149 0.0000 A 47 GLY CA C 13 45.4560 0.0000 A 47 GLY N N 15 102.6970 0.0000 A 48 LYS H H 1 7.9250 0.0000 A 48 LYS HA H 1 4.6700 0.0000 A 48 LYS HBx H 1 1.9090 0.0000 A 48 LYS HBy H 1 1.9490 0.0000 A 48 LYS HDy H 1 1.7950 0.0000 A 48 LYS HEx H 1 3.0910 0.0000 A 48 LYS HGx H 1 1.5000 0.0000 A 48 LYS C C 13 174.3623 0.0000 A 48 LYS CA C 13 54.8310 0.0000 A 48 LYS CB C 13 35.2590 0.0000 A 48 LYS CD C 13 29.1510 0.0000 A 48 LYS CE C 13 42.3710 0.0000 A 48 LYS CG C 13 24.4960 0.0000 A 48 LYS N N 15 121.5330 0.0000 A 49 GLU H H 1 8.6010 0.0000 A 49 GLU HA H 1 5.0440 0.0000 A 49 GLU HBx H 1 1.7720 0.0000 A 49 GLU HBy H 1 1.9560 0.0000 A 49 GLU HGx H 1 2.1130 0.0000 A 49 GLU C C 13 176.8019 0.0000 A 49 GLU CA C 13 55.6780 0.0000 A 49 GLU CB C 13 30.3890 0.0000 A 49 GLU CG C 13 36.6400 0.0000 A 49 GLU N N 15 122.8160 0.0000 A 50 LEU H H 1 8.7800 0.0000 A 50 LEU HA H 1 4.5970 0.0000 A 50 LEU HBx H 1 1.5930 0.0000 A 50 LEU HBy H 1 1.7260 0.0000 A 50 LEU HDx% H 1 1.0160 0.0000 A 50 LEU HDy% H 1 1.1510 0.0000 A 50 LEU HG H 1 1.9270 0.0000 A 50 LEU C C 13 175.6860 0.0000 A 50 LEU CA C 13 53.7520 0.0000 A 50 LEU CB C 13 42.6670 0.0000 A 50 LEU CDy C 13 26.1750 0.0000 A 50 LEU CDx C 13 22.4540 0.0000 A 50 LEU CG C 13 27.0520 0.0000 A 50 LEU N N 15 126.5840 0.0000 A 51 ARG H H 1 5.8290 0.0000 A 51 ARG HA H 1 3.9170 0.0000 A 51 ARG HBy H 1 1.2270 0.0000 A 51 ARG HBx H 1 0.0790 0.0000 A 51 ARG HDx H 1 2.7780 0.0000 A 51 ARG HDy H 1 2.9870 0.0000 A 51 ARG HGx H 1 0.9820 0.0000 A 51 ARG HGy H 1 1.1200 0.0000 A 51 ARG C C 13 176.8954 0.0000 A 51 ARG CA C 13 55.4840 0.0000 A 51 ARG CB C 13 31.2470 0.0000 A 51 ARG CD C 13 43.2320 0.0000 A 51 ARG CG C 13 27.2250 0.0000 A 51 ARG N N 15 122.8040 0.0000 A 52 ASN H H 1 8.3910 0.0000 A 52 ASN HA H 1 4.4190 0.0000 A 52 ASN HBx H 1 2.8110 0.0000 A 52 ASN C C 13 175.7294 0.0000 A 52 ASN CA C 13 55.2690 0.0000 A 52 ASN CB C 13 39.6000 0.0000 A 52 ASN N N 15 117.7540 0.0000 A 53 ASP H H 1 8.5110 0.0000 A 53 ASP HA H 1 4.6850 0.0000 A 53 ASP HBx H 1 2.7000 0.0000 A 53 ASP HBy H 1 2.8490 0.0000 A 53 ASP C C 13 177.0004 0.0000 A 53 ASP CA C 13 53.5500 0.0000 A 53 ASP CB C 13 39.8570 0.0000 A 53 ASP N N 15 111.6100 0.0000 A 54 TRP H H 1 7.6630 0.0000 A 54 TRP HA H 1 5.1590 0.0000 A 54 TRP HBx H 1 3.1960 0.0000 A 54 TRP HBy H 1 3.4010 0.0000 A 54 TRP HD1 H 1 7.1300 0.0000 A 54 TRP HE1 H 1 10.0780 0.0000 A 54 TRP HE3 H 1 7.8200 0.0000 A 54 TRP HH2 H 1 7.4140 0.0000 A 54 TRP HZ2 H 1 7.6000 0.0000 A 54 TRP HZ3 H 1 7.3730 0.0000 A 54 TRP C C 13 175.4795 0.0000 A 54 TRP CA C 13 55.3370 0.0000 A 54 TRP CB C 13 29.8360 0.0000 A 54 TRP CD1 C 13 125.4150 0.0000 A 54 TRP CE3 C 13 120.1570 0.0000 A 54 TRP CH2 C 13 125.2520 0.0000 A 54 TRP CZ2 C 13 115.6000 0.0000 A 54 TRP CZ3 C 13 122.1680 0.0000 A 54 TRP N N 15 122.8010 0.0000 A 54 TRP NE1 N 15 128.9930 0.0000 A 55 THR H H 1 8.5110 0.0000 A 55 THR HA H 1 5.1380 0.0000 A 55 THR HB H 1 4.4630 0.0000 A 55 THR HG2% H 1 1.1730 0.0000 A 55 THR C C 13 176.5040 0.0000 A 55 THR CA C 13 59.7950 0.0000 A 55 THR CB C 13 71.8660 0.0000 A 55 THR CG2 C 13 22.0290 0.0000 A 55 THR N N 15 109.9580 0.0000 A 56 VAL H H 1 8.6250 0.0000 A 56 VAL HA H 1 3.4850 0.0000 A 56 VAL HB H 1 2.2360 0.0000 A 56 VAL HGx% H 1 0.9770 0.0000 A 56 VAL HGy% H 1 0.8140 0.0000 A 56 VAL C C 13 178.2379 0.0000 A 56 VAL CA C 13 66.7680 0.0000 A 56 VAL CB C 13 31.7680 0.0000 A 56 VAL CGx C 13 21.8240 0.0000 A 56 VAL CGy C 13 21.8240 0.0000 A 56 VAL N N 15 120.2590 0.0000 A 57 GLN H H 1 8.4300 0.0000 A 57 GLN HA H 1 4.1770 0.0000 A 57 GLN HBy H 1 2.1850 0.0000 A 57 GLN HBx H 1 1.9680 0.0000 A 57 GLN HGx H 1 2.3150 0.0000 A 57 GLN C C 13 177.8367 0.0000 A 57 GLN CA C 13 58.3890 0.0000 A 57 GLN CB C 13 28.9930 0.0000 A 57 GLN CG C 13 33.3720 0.0000 A 57 GLN N N 15 117.5570 0.0000 A 58 ASN H H 1 7.8900 0.0000 A 58 ASN HA H 1 4.6460 0.0000 A 58 ASN HBy H 1 2.8530 0.0000 A 58 ASN HBx H 1 2.7400 0.0000 A 58 ASN HD2y H 1 7.4440 0.0000 A 58 ASN HD2x H 1 6.8380 0.0000 A 58 ASN C C 13 176.3564 0.0000 A 58 ASN CA C 13 54.3610 0.0000 A 58 ASN CB C 13 38.5510 0.0000 A 58 ASN N N 15 117.2560 0.0000 A 58 ASN ND2 N 15 112.2530 0.0000 A 59 CYS H H 1 7.6100 0.0000 A 59 CYS HA H 1 4.4040 0.0000 A 59 CYS HBx H 1 2.8100 0.0000 A 59 CYS C C 13 172.9468 0.0000 A 59 CYS CA C 13 59.9400 0.0000 A 59 CYS CB C 13 28.4810 0.0000 A 59 CYS N N 15 115.5230 0.0000 A 60 ASP H H 1 7.9690 0.0000 A 60 ASP HA H 1 4.4630 0.0000 A 60 ASP HBy H 1 2.9360 0.0000 A 60 ASP HBx H 1 2.6680 0.0000 A 60 ASP C C 13 176.1160 0.0000 A 60 ASP CA C 13 55.3940 0.0000 A 60 ASP CB C 13 39.5400 0.0000 A 60 ASP N N 15 118.0910 0.0000 A 61 LEU H H 1 7.7190 0.0000 A 61 LEU HA H 1 3.8050 0.0000 A 61 LEU HBy H 1 1.4840 0.0000 A 61 LEU HBx H 1 1.3470 0.0000 A 61 LEU HDx% H 1 0.6150 0.0000 A 61 LEU HDy% H 1 0.2720 0.0000 A 61 LEU HG H 1 1.4320 0.0000 A 61 LEU C C 13 176.7440 0.0000 A 61 LEU CA C 13 56.3550 0.0000 A 61 LEU CB C 13 41.6000 0.0000 A 61 LEU CDy C 13 25.6540 0.0000 A 61 LEU CDx C 13 22.5560 0.0000 A 61 LEU CG C 13 26.8130 0.0000 A 61 LEU N N 15 116.3460 0.0000 A 62 ASP H H 1 8.2450 0.0000 A 62 ASP HA H 1 4.5460 0.0000 A 62 ASP HBx H 1 2.6500 0.0000 A 62 ASP HBy H 1 2.8530 0.0000 A 62 ASP C C 13 176.4978 0.0000 A 62 ASP CA C 13 54.2040 0.0000 A 62 ASP CB C 13 40.6200 0.0000 A 62 ASP N N 15 116.8850 0.0000 A 63 GLN H H 1 7.9630 0.0000 A 63 GLN HA H 1 4.3840 0.0000 A 63 GLN HBx H 1 2.1020 0.0000 A 63 GLN HBy H 1 2.3640 0.0000 A 63 GLN HGx H 1 2.3850 0.0000 A 63 GLN HGy H 1 2.4320 0.0000 A 63 GLN CA C 13 56.3450 0.0000 A 63 GLN CB C 13 29.3000 0.0000 A 63 GLN CG C 13 34.1160 0.0000 A 63 GLN N N 15 117.0830 0.0000 A 64 GLN H H 1 8.0200 0.0000 A 64 GLN HA H 1 4.4630 0.0000 A 64 GLN HBx H 1 1.9910 0.0000 A 64 GLN HBy H 1 2.2320 0.0000 A 64 GLN HGy H 1 2.3280 0.0000 A 64 GLN HGx H 1 2.2270 0.0000 A 64 GLN C C 13 175.6715 0.0000 A 64 GLN CA C 13 55.7290 0.0000 A 64 GLN CB C 13 29.8000 0.0000 A 64 GLN CG C 13 34.0320 0.0000 A 64 GLN N N 15 117.3550 0.0000 A 65 SEP H H 1 8.6740 0.0000 A 65 SEP HA H 1 4.5720 0.0000 A 65 SEP HBx H 1 3.9820 0.0000 A 65 SEP HBy H 1 4.0280 0.0000 A 65 SEP C C 13 173.4499 0.0000 A 65 SEP CA C 13 57.7260 0.0000 A 65 SEP CB C 13 65.9960 0.0000 A 65 SEP N N 15 116.0610 0.0000 A 66 ILE H H 1 8.0600 0.0000 A 66 ILE HA H 1 4.6320 0.0000 A 66 ILE HB H 1 1.7540 0.0000 A 66 ILE HD1% H 1 0.7220 0.0000 A 66 ILE HG1x H 1 1.0820 0.0000 A 66 ILE HG1y H 1 1.3850 0.0000 A 66 ILE HG2% H 1 0.5420 0.0000 A 66 ILE C C 13 174.5691 0.0000 A 66 ILE CA C 13 60.2520 0.0000 A 66 ILE CB C 13 40.8280 0.0000 A 66 ILE CD1 C 13 13.3360 0.0000 A 66 ILE CG1 C 13 27.7780 0.0000 A 66 ILE CG2 C 13 17.8310 0.0000 A 66 ILE N N 15 120.8230 0.0000 A 67 VAL H H 1 8.6720 0.0000 A 67 VAL HA H 1 4.3970 0.0000 A 67 VAL HB H 1 2.0080 0.0000 A 67 VAL HGx% H 1 0.9160 0.0000 A 67 VAL HGy% H 1 0.8310 0.0000 A 67 VAL C C 13 174.2283 0.0000 A 67 VAL CA C 13 62.1530 0.0000 A 67 VAL CB C 13 33.0920 0.0000 A 67 VAL CGx C 13 22.3520 0.0000 A 67 VAL CGy C 13 22.3520 0.0000 A 67 VAL N N 15 124.9500 0.0000 A 68 HIS H H 1 8.9130 0.0000 A 68 HIS HA H 1 5.0280 0.0000 A 68 HIS HBy H 1 3.1480 0.0000 A 68 HIS HBx H 1 2.9980 0.0000 A 68 HIS HD2 H 1 7.1160 0.0000 A 68 HIS HE1 H 1 7.7240 0.0000 A 68 HIS C C 13 174.4137 0.0000 A 68 HIS CA C 13 55.9030 0.0000 A 68 HIS CB C 13 32.3810 0.0000 A 68 HIS CD2 C 13 118.7460 0.0000 A 68 HIS CE1 C 13 137.9170 0.0000 A 68 HIS N N 15 127.6420 0.0000 A 68 HIS ND1 N 15 235.1261 0.0000 A 68 HIS NE2 N 15 176.4721 0.0000 A 69 ILE H H 1 8.9600 0.0000 A 69 ILE HA H 1 5.3060 0.0000 A 69 ILE HB H 1 1.8310 0.0000 A 69 ILE HD1% H 1 0.7830 0.0000 A 69 ILE HG1y H 1 1.7140 0.0000 A 69 ILE HG1x H 1 1.2700 0.0000 A 69 ILE HG2% H 1 0.9410 0.0000 A 69 ILE C C 13 174.4405 0.0000 A 69 ILE CA C 13 59.9800 0.0000 A 69 ILE CB C 13 38.9950 0.0000 A 69 ILE CD1 C 13 13.6700 0.0000 A 69 ILE CG1 C 13 28.2600 0.0000 A 69 ILE CG2 C 13 19.0760 0.0000 A 69 ILE N N 15 123.7430 0.0000 A 70 VAL H H 1 8.7100 0.0000 A 70 VAL HA H 1 4.6890 0.0000 A 70 VAL HB H 1 1.9550 0.0000 A 70 VAL HGx% H 1 0.7830 0.0000 A 70 VAL HGy% H 1 0.7350 0.0000 A 70 VAL C C 13 174.7866 0.0000 A 70 VAL CA C 13 58.8160 0.0000 A 70 VAL CB C 13 35.4250 0.0000 A 70 VAL CGy C 13 21.5090 0.0000 A 70 VAL CGx C 13 19.6620 0.0000 A 70 VAL N N 15 121.7130 0.0000 A 71 GLN H H 1 8.5270 0.0000 A 71 GLN HA H 1 4.8870 0.0000 A 71 GLN HBx H 1 1.8380 0.0000 A 71 GLN HBy H 1 2.1160 0.0000 A 71 GLN HE2y H 1 7.5850 0.0000 A 71 GLN HE2x H 1 6.8660 0.0000 A 71 GLN HGx H 1 2.1960 0.0000 A 71 GLN HGy H 1 2.4230 0.0000 A 71 GLN C C 13 175.7578 0.0000 A 71 GLN CA C 13 54.8000 0.0000 A 71 GLN CB C 13 30.5890 0.0000 A 71 GLN CG C 13 34.0820 0.0000 A 71 GLN N N 15 123.8500 0.0000 A 71 GLN NE2 N 15 109.3900 0.0000 A 72 ARG H H 1 8.8020 0.0000 A 72 ARG HA H 1 4.5490 0.0000 A 72 ARG HBx H 1 1.7420 0.0000 A 72 ARG HGx H 1 1.5650 0.0000 A 72 ARG CA C 13 54.2000 0.0000 A 72 ARG CB C 13 30.5890 0.0000 A 72 ARG N N 15 126.6390 0.0000 A 73 PRO HA H 1 4.4210 0.0000 A 73 PRO HBy H 1 2.2560 0.0000 A 73 PRO HBx H 1 1.8460 0.0000 A 73 PRO HDx H 1 3.5940 0.0000 A 73 PRO HDy H 1 3.7470 0.0000 A 73 PRO HGx H 1 1.9680 0.0000 A 73 PRO C C 13 175.7578 0.0000 A 73 PRO CA C 13 63.2030 0.0000 A 73 PRO CB C 13 32.0260 0.0000 A 73 PRO CD C 13 50.7090 0.0000 A 73 PRO CG C 13 27.3740 0.0000 A 74 TRP H H 1 8.2240 0.0000 A 74 TRP HA H 1 4.6410 0.0000 A 74 TRP HBx H 1 3.2380 0.0000 A 74 TRP HD1 H 1 7.2660 0.0000 A 74 TRP HE1 H 1 10.1230 0.0000 A 74 TRP HE3 H 1 7.6230 0.0000 A 74 TRP HH2 H 1 7.2140 0.0000 A 74 TRP HZ2 H 1 7.4880 0.0000 A 74 TRP HZ3 H 1 7.1190 0.0000 A 74 TRP C C 13 175.6668 0.0000 A 74 TRP CA C 13 57.2000 0.0000 A 74 TRP CB C 13 29.9660 0.0000 A 74 TRP CD1 C 13 127.3150 0.0000 A 74 TRP CE3 C 13 121.0440 0.0000 A 74 TRP CH2 C 13 124.6800 0.0000 A 74 TRP CZ2 C 13 114.5940 0.0000 A 74 TRP CZ3 C 13 122.0060 0.0000 A 74 TRP N N 15 122.2240 0.0000 A 74 TRP NE1 N 15 129.4870 0.0000 A 75 ARG H H 1 7.9060 0.0000 A 75 ARG HA H 1 4.1800 0.0000 A 75 ARG HBx H 1 1.5690 0.0000 A 75 ARG HBy H 1 1.7050 0.0000 A 75 ARG HDx H 1 3.0630 0.0000 A 75 ARG HGx H 1 1.3770 0.0000 A 75 ARG C C 13 174.4594 0.0000 A 75 ARG CA C 13 55.7870 0.0000 A 75 ARG CB C 13 31.1980 0.0000 A 75 ARG CD C 13 43.4130 0.0000 A 75 ARG CG C 13 26.6410 0.0000 A 75 ARG N N 15 123.7700 0.0000 A 76 LYS H H 1 7.7870 0.0000 A 76 LYS HA H 1 3.9980 0.0000 A 76 LYS HBx H 1 1.6290 0.0000 A 76 LYS HBy H 1 1.7250 0.0000 A 76 LYS HDx H 1 1.6450 0.0000 A 76 LYS HEx H 1 2.9440 0.0000 A 76 LYS HGx H 1 1.3310 0.0000 A 76 LYS CA C 13 57.8800 0.0000 A 76 LYS CB C 13 33.6380 0.0000 A 76 LYS CD C 13 29.0700 0.0000 A 76 LYS CE C 13 41.9900 0.0000 A 76 LYS CG C 13 24.7200 0.0000 A 76 LYS N N 15 128.0060 0.0000 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 44 ILE H A 69 ILE HA 1.0 0.0 4.36 2 2 A 44 ILE H A 43 VAL HA 1.0 0.0 3.47 3 3 A 44 ILE H A 43 VAL HGx% 1.0 0.0 4.58 4 4 A 44 ILE H A 43 VAL HGy% 1.0 0.0 4.58 5 5 A 75 ARG H A 76 LYS H 1.0 0.0 3.85 6 6 A 76 LYS H A 75 ARG HA 1.0 0.0 3.04 7 7 A 67 VAL HA A 68 HIS H 1.0 0.0 3.30 8 8 A 68 HIS H A 45 PHE HBx 1.0 0.0 4.41 9 8 A 68 HIS H A 45 PHE HBy 1.0 0.0 4.41 10 9 A 45 PHE H A 50 LEU HG 1.0 0.0 4.72 11 10 A 72 ARG H A 72 ARG HGx 1.0 0.0 4.47 12 10 A 72 ARG H A 72 ARG HGy 1.0 0.0 4.47 13 11 A 72 ARG H A 71 GLN HA 1.0 0.0 3.37 14 12 A 50 LEU HG A 50 LEU H 1.0 0.0 3.68 15 13 A 45 PHE H A 44 ILE HA 1.0 0.0 3.53 16 14 A 45 PHE H A 45 PHE HBx 1.0 0.0 3.82 17 14 A 45 PHE HBy A 45 PHE H 1.0 0.0 3.82 18 15 A 45 PHE H A 50 LEU HDy% 1.0 0.0 5.48 19 16 A 15 VAL HA A 16 GLU H 1.0 0.0 2.91 20 17 A 16 GLU H A 16 GLU HBx 1.0 0.0 3.45 21 18 A 16 GLU H A 17 VAL HGx% 1.0 0.0 4.33 22 19 A 38 ALA H A 39 ASP H 1.0 0.0 3.77 23 20 A 38 ALA H A 37 PRO HA 1.0 0.0 3.00 24 21 A 38 ALA H A 41 LEU HBx 1.0 0.0 5.37 25 22 A 3 VAL HA A 4 PHE H 1.0 0.0 3.13 26 23 A 4 PHE H A 3 VAL HGy% 1.0 0.0 4.12 27 24 A 46 ALA HB% A 47 GLY H 1.0 0.0 4.18 28 25 A 47 GLY H A 44 ILE HG2% 1.0 0.0 3.78 29 26 A 66 ILE HA A 67 VAL H 1.0 0.0 3.34 30 27 A 67 VAL H A 67 VAL HGy% 1.0 0.0 4.31 31 28 A 2 ILE H A 3 VAL HGx% 1.0 0.0 4.73 32 29 A 67 VAL H A 5 VAL HA 1.0 0.0 4.80 33 30 A 67 VAL H A 67 VAL HB 1.0 0.0 3.73 34 31 A 2 ILE H A 1 MET HBy 1.0 0.0 4.22 35 32 A 2 ILE H A 2 ILE HB 1.0 0.0 3.44 36 33 A 2 ILE H A 2 ILE HG2% 1.0 0.0 4.33 37 34 A 2 ILE H A 2 ILE HG1y 1.0 0.0 4.30 38 35 A 31 ALA H A 32 LYS H 1.0 0.0 3.59 39 36 A 31 ALA H A 29 VAL HA 1.0 0.0 5.25 40 37 A 31 ALA H A 38 ALA HA 1.0 0.0 5.50 41 38 A 31 ALA H A 30 VAL H 1.0 0.0 3.28 42 39 A 31 ALA H A 30 VAL HB 1.0 0.0 3.99 43 40 A 31 ALA H A 30 VAL HGx% 1.0 0.0 4.27 44 41 A 31 ALA H A 30 VAL HGy% 1.0 0.0 4.27 45 42 A 31 ALA H A 41 LEU HDy% 1.0 0.0 4.03 46 43 A 68 HIS HA A 69 ILE H 1.0 0.0 3.40 47 44 A 71 GLN H A 71 GLN HBx 1.0 0.0 3.91 48 45 A 2 ILE HA A 3 VAL H 1.0 0.0 3.35 49 46 A 3 VAL H A 15 VAL HB 1.0 0.0 4.72 50 47 A 3 VAL HGy% A 3 VAL H 1.0 0.0 3.79 51 48 A 21 THR HG2% A 22 SER H 1.0 0.0 3.45 52 49 A 42 ARG HA A 43 VAL H 1.0 0.0 3.23 53 50 A 43 VAL H A 42 ARG HGx 1.0 0.0 4.17 54 50 A 43 VAL H A 42 ARG HGy 1.0 0.0 4.17 55 51 A 4 PHE HA A 5 VAL H 1.0 0.0 3.39 56 52 A 5 VAL H A 4 PHE HBx 1.0 0.0 4.21 57 52 A 5 VAL H A 4 PHE HBy 1.0 0.0 4.21 58 53 A 23 ILE H A 24 PHE H 1.0 0.0 3.82 59 54 A 23 ILE H A 22 SER HA 1.0 0.0 3.41 60 55 A 23 ILE H A 23 ILE HB 1.0 0.0 3.56 61 56 A 23 ILE H A 23 ILE HG1y 1.0 0.0 3.99 62 57 A 23 ILE H A 23 ILE HG1x 1.0 0.0 3.99 63 58 A 23 ILE H A 23 ILE HG2% 1.0 0.0 4.20 64 59 A 50 LEU H A 49 GLU H 1.0 0.0 4.62 65 60 A 49 GLU H A 48 LYS HDx 1.0 0.0 3.61 66 60 A 49 GLU H A 48 LYS HDy 1.0 0.0 3.61 67 61 A 54 TRP H A 54 TRP HE3 1.0 0.0 4.89 68 62 A 54 TRP H A 54 TRP HBy 1.0 0.0 3.72 69 63 A 54 TRP H A 54 TRP HBx 1.0 0.0 3.72 70 64 A 23 ILE HB A 54 TRP H 1.0 0.0 4.50 71 65 A 54 TRP H A 53 ASP HBx 1.0 0.0 4.95 72 66 A 5 VAL H A 6 ARG H 1.0 0.0 4.64 73 67 A 68 HIS HA A 6 ARG H 1.0 0.0 4.76 74 68 A 5 VAL HA A 6 ARG H 1.0 0.0 3.31 75 69 A 6 ARG H A 5 VAL HGy% 1.0 0.0 4.14 76 70 A 73 PRO HA A 74 TRP H 1.0 0.0 3.21 77 71 A 74 TRP H A 74 TRP HBx 1.0 0.0 3.65 78 71 A 74 TRP H A 74 TRP HBy 1.0 0.0 3.65 79 72 A 26 LEU H A 26 LEU HDx% 1.0 0.0 4.89 80 73 A 26 LEU H A 26 LEU HDy% 1.0 0.0 4.89 81 74 A 26 LEU H A 27 LYS HBy 1.0 0.0 5.34 82 75 A 69 ILE HA A 70 VAL H 1.0 0.0 3.33 83 76 A 45 PHE H A 48 LYS H 1.0 0.0 3.63 84 77 A 47 GLY H A 48 LYS H 1.0 0.0 3.77 85 78 A 48 LYS H A 48 LYS HBy 1.0 0.0 4.16 86 79 A 48 LYS H A 48 LYS HGx 1.0 0.0 3.82 87 79 A 48 LYS H A 48 LYS HGy 1.0 0.0 3.82 88 80 A 44 ILE HG2% A 48 LYS H 1.0 0.0 3.63 89 81 A 44 ILE HA A 48 LYS H 1.0 0.0 4.65 90 82 A 24 PHE H A 52 ASN HA 1.0 0.0 3.87 91 83 A 24 PHE H A 24 PHE HBy 1.0 0.0 3.59 92 84 A 24 PHE H A 24 PHE HBx 1.0 0.0 3.59 93 85 A 24 PHE H A 52 ASN HBx 1.0 0.0 4.04 94 85 A 24 PHE H A 52 ASN HBy 1.0 0.0 4.04 95 86 A 24 PHE H A 23 ILE HB 1.0 0.0 4.11 96 87 A 32 LYS H A 30 VAL H 1.0 0.0 4.79 97 88 A 30 VAL H A 30 VAL HGy% 1.0 0.0 3.97 98 89 A 24 PHE H A 22 SER HA 1.0 0.0 4.56 99 90 A 17 VAL HGy% A 18 ASP H 1.0 0.0 3.90 100 91 A 18 ASP H A 17 VAL HA 1.0 0.0 3.26 101 92 A 18 ASP H A 21 THR HB 1.0 0.0 4.12 102 93 A 18 ASP H A 18 ASP HBy 1.0 0.0 3.99 103 94 A 18 ASP H A 18 ASP HBx 1.0 0.0 3.99 104 95 A 18 ASP H A 17 VAL HB 1.0 0.0 3.30 105 96 A 21 THR HG2% A 18 ASP H 1.0 0.0 4.25 106 97 A 17 VAL HGx% A 18 ASP H 1.0 0.0 4.29 107 98 A 66 ILE H A 66 ILE HG1x 1.0 0.0 4.70 108 99 A 66 ILE H A 66 ILE HG2% 1.0 0.0 4.28 109 100 A 41 LEU HA A 42 ARG H 1.0 0.0 3.34 110 101 A 42 ARG H A 41 LEU HDx% 1.0 0.0 4.11 111 102 A 70 VAL H A 42 ARG H 1.0 0.0 4.08 112 103 A 42 ARG H A 42 ARG HBx 1.0 0.0 3.77 113 103 A 42 ARG H A 42 ARG HBy 1.0 0.0 3.77 114 104 A 55 THR HA A 56 VAL H 1.0 0.0 3.56 115 105 A 56 VAL H A 55 THR HB 1.0 0.0 3.94 116 106 A 56 VAL H A 56 VAL HGy% 1.0 0.0 4.06 117 107 A 56 VAL H A 55 THR HG2% 1.0 0.0 4.28 118 108 A 13 PHE H A 13 PHE HD% 1.0 0.0 4.39 119 109 A 4 PHE HA A 15 VAL H 1.0 0.0 4.23 120 110 A 3 VAL H A 15 VAL H 1.0 0.0 3.91 121 111 A 15 VAL HB A 15 VAL H 1.0 0.0 3.71 122 112 A 15 VAL H A 15 VAL HGy% 1.0 0.0 3.71 123 113 A 5 VAL H A 13 PHE H 1.0 0.0 4.05 124 114 A 29 VAL H A 29 VAL HGx% 1.0 0.0 4.20 125 115 A 29 VAL H A 26 LEU HA 1.0 0.0 4.15 126 116 A 29 VAL H A 28 GLU HBy 1.0 0.0 3.86 127 117 A 29 VAL H A 28 GLU HBx 1.0 0.0 4.28 128 118 A 56 VAL H A 21 THR H 1.0 0.0 4.07 129 119 A 21 THR H A 20 ASP H 1.0 0.0 3.30 130 120 A 21 THR HB A 21 THR H 1.0 0.0 3.19 131 121 A 21 THR HG2% A 21 THR H 1.0 0.0 4.08 132 122 A 21 THR H A 56 VAL HGx% 1.0 0.0 4.07 133 123 A 33 ARG H A 34 GLN H 1.0 0.0 3.62 134 124 A 33 ARG H A 32 LYS HBx 1.0 0.0 3.54 135 124 A 33 ARG H A 32 LYS HBy 1.0 0.0 3.54 136 125 A 33 ARG H A 33 ARG HBx 1.0 0.0 3.50 137 125 A 33 ARG H A 33 ARG HBy 1.0 0.0 3.50 138 126 A 24 PHE H A 25 GLN H 1.0 0.0 3.84 139 127 A 26 LEU H A 25 GLN H 1.0 0.0 3.84 140 128 A 25 GLN H A 24 PHE HBx 1.0 0.0 4.23 141 129 A 16 GLU HA A 17 VAL H 1.0 0.0 2.94 142 130 A 17 VAL H A 1 MET HGx 1.0 0.0 4.58 143 130 A 17 VAL H A 1 MET HGy 1.0 0.0 4.58 144 131 A 17 VAL HGy% A 17 VAL H 1.0 0.0 3.79 145 132 A 27 LYS HBx A 28 GLU H 1.0 0.0 4.16 146 133 A 60 ASP H A 61 LEU H 1.0 0.0 4.10 147 134 A 28 GLU H A 27 LYS H 1.0 0.0 3.78 148 135 A 60 ASP H A 59 CYS HBx 1.0 0.0 4.25 149 135 A 60 ASP H A 59 CYS HBy 1.0 0.0 4.25 150 136 A 20 ASP HA A 57 GLN H 1.0 0.0 4.85 151 137 A 51 ARG HA A 52 ASN H 1.0 0.0 3.41 152 138 A 52 ASN H A 52 ASN HBx 1.0 0.0 3.53 153 138 A 52 ASN HBy A 52 ASN H 1.0 0.0 3.53 154 139 A 52 ASN H A 51 ARG HBy 1.0 0.0 4.55 155 140 A 52 ASN H A 51 ARG HBx 1.0 0.0 4.55 156 141 A 56 VAL H A 57 GLN H 1.0 0.0 3.86 157 142 A 55 THR HB A 57 GLN H 1.0 0.0 4.55 158 143 A 57 GLN H A 57 GLN HBy 1.0 0.0 3.61 159 144 A 56 VAL HGy% A 57 GLN H 1.0 0.0 4.26 160 145 A 27 LYS HBy A 27 LYS H 1.0 0.0 3.77 161 146 A 27 LYS H A 26 LEU HDx% 1.0 0.0 4.62 162 147 A 55 THR HG2% A 57 GLN H 1.0 0.0 4.57 163 148 A 27 LYS H A 26 LEU HBy 1.0 0.0 3.93 164 149 A 27 LYS H A 27 LYS HGy 1.0 0.0 4.77 165 150 A 41 LEU H A 41 LEU HBy 1.0 0.0 4.08 166 151 A 41 LEU HDx% A 41 LEU H 1.0 0.0 4.27 167 152 A 41 LEU HBx A 41 LEU H 1.0 0.0 3.27 168 153 A 57 GLN H A 58 ASN H 1.0 0.0 3.65 169 154 A 58 ASN H A 59 CYS H 1.0 0.0 3.49 170 155 A 58 ASN H A 58 ASN HBy 1.0 0.0 3.73 171 156 A 58 ASN H A 58 ASN HBx 1.0 0.0 3.73 172 157 A 58 ASN H A 57 GLN HGx 1.0 0.0 4.36 173 157 A 58 ASN H A 57 GLN HGy 1.0 0.0 4.36 174 158 A 62 ASP H A 63 GLN H 1.0 0.0 4.18 175 159 A 32 LYS H A 29 VAL H 1.0 0.0 5.31 176 160 A 32 LYS H A 36 VAL H 1.0 0.0 5.01 177 161 A 61 LEU H A 59 CYS H 1.0 0.0 5.44 178 162 A 41 LEU H A 40 GLN H 1.0 0.0 3.39 179 163 A 40 GLN H A 37 PRO HBy 1.0 0.0 4.30 180 164 A 40 GLN H A 40 GLN HBx 1.0 0.0 3.88 181 165 A 32 LYS H A 33 ARG H 1.0 0.0 3.71 182 166 A 32 LYS H A 29 VAL HA 1.0 0.0 4.24 183 167 A 32 LYS H A 32 LYS HBx 1.0 0.0 3.15 184 167 A 32 LYS H A 32 LYS HBy 1.0 0.0 3.15 185 168 A 32 LYS H A 32 LYS HDx 1.0 0.0 4.37 186 168 A 32 LYS H A 32 LYS HDy 1.0 0.0 4.37 187 169 A 61 LEU H A 62 ASP H 1.0 0.0 4.37 188 170 A 61 LEU H A 61 LEU HBy 1.0 0.0 3.90 189 171 A 20 ASP H A 19 SER HBx 1.0 0.0 3.84 190 171 A 20 ASP H A 19 SER HBy 1.0 0.0 3.84 191 172 A 20 ASP H A 18 ASP HBy 1.0 0.0 4.05 192 173 A 20 ASP H A 18 ASP HBx 1.0 0.0 4.05 193 174 A 59 CYS H A 59 CYS HBx 1.0 0.0 3.48 194 174 A 59 CYS HBy A 59 CYS H 1.0 0.0 3.48 195 175 A 60 ASP H A 59 CYS H 1.0 0.0 3.62 196 176 A 36 VAL H A 31 ALA HA 1.0 0.0 4.16 197 177 A 39 ASP H A 40 GLN H 1.0 0.0 3.77 198 178 A 39 ASP H A 37 PRO HBx 1.0 0.0 4.72 199 179 A 39 ASP H A 39 ASP HBy 1.0 0.0 3.78 200 180 A 39 ASP H A 39 ASP HBx 1.0 0.0 3.78 201 181 A 39 ASP H A 37 PRO HBy 1.0 0.0 4.03 202 182 A 39 ASP H A 38 ALA HB% 1.0 0.0 3.59 203 183 A 34 GLN H A 33 ARG HBx 1.0 0.0 3.80 204 183 A 34 GLN H A 33 ARG HBy 1.0 0.0 3.80 205 184 A 54 TRP H A 53 ASP H 1.0 0.0 3.36 206 185 A 53 ASP H A 52 ASN HBx 1.0 0.0 4.23 207 185 A 52 ASN HBy A 53 ASP H 1.0 0.0 4.23 208 186 A 36 VAL H A 35 GLY H 1.0 0.0 3.62 209 187 A 46 ALA HB% A 46 ALA H 1.0 0.0 4.13 210 188 A 54 TRP HA A 55 THR H 1.0 0.0 3.33 211 189 A 55 THR H A 54 TRP HBy 1.0 0.0 4.32 212 190 A 55 THR H A 58 ASN HBy 1.0 0.0 5.50 213 191 A 55 THR HG2% A 55 THR H 1.0 0.0 3.52 214 192 A 55 THR H A 54 TRP HBx 1.0 0.0 4.32 215 193 A 51 ARG H A 51 ARG HGx 1.0 0.0 4.42 216 194 A 49 GLU H A 44 ILE HD1% 1.0 0.0 4.49 217 195 A 24 PHE H A 23 ILE HG2% 1.0 0.0 4.40 218 196 A 4 PHE H A 4 PHE HD% 1.0 0.0 4.56 219 197 A 5 VAL H A 15 VAL H 1.0 0.0 4.45 220 198 A 67 VAL H A 6 ARG H 1.0 0.0 4.43 221 199 A 67 VAL H A 66 ILE H 1.0 0.0 4.82 222 200 A 71 GLN H A 7 PHE HZ 1.0 0.0 4.49 223 201 A 42 ARG H A 41 LEU H 1.0 0.0 4.74 224 202 A 47 GLY H A 46 ALA H 1.0 0.0 4.41 225 203 A 68 HIS H A 68 HIS HD2 1.0 0.0 4.62 226 204 A 21 THR H A 56 VAL HB 1.0 0.0 5.18 227 205 A 17 VAL HGy% A 21 THR H 1.0 0.0 4.59 228 206 A 70 VAL H A 42 ARG HBx 1.0 0.0 4.55 229 206 A 70 VAL H A 42 ARG HBy 1.0 0.0 4.55 230 207 A 41 LEU HBx A 42 ARG H 1.0 0.0 4.41 231 208 A 56 VAL H A 23 ILE HD1% 1.0 0.0 4.62 232 209 A 4 PHE HA A 13 PHE H 1.0 0.0 5.18 233 210 A 22 SER H A 21 THR H 1.0 0.0 4.60 234 211 A 31 ALA H A 27 LYS HA 1.0 0.0 4.48 235 212 A 33 ARG H A 31 ALA HB% 1.0 0.0 5.31 236 213 A 36 VAL H A 31 ALA HB% 1.0 0.0 4.52 237 214 A 45 PHE H A 46 ALA HB% 1.0 0.0 5.11 238 215 A 45 PHE H A 50 LEU HDx% 1.0 0.0 5.48 239 216 A 47 GLY H A 45 PHE HA 1.0 0.0 4.43 240 217 A 46 ALA HB% A 48 LYS H 1.0 0.0 4.46 241 218 A 49 GLU H A 48 LYS H 1.0 0.0 4.53 242 219 A 31 ALA HB% A 41 LEU HG 1.0 0.0 4.58 243 220 A 66 ILE HA A 66 ILE HG1y 1.0 0.0 4.21 244 221 A 66 ILE HA A 66 ILE HG1x 1.0 0.0 4.21 245 222 A 75 ARG HA A 76 LYS HA 1.0 0.0 4.77 246 223 A 44 ILE HG2% A 44 ILE HG1x 1.0 0.0 3.94 247 224 A 2 ILE HA A 2 ILE HG1y 1.0 0.0 3.95 248 225 A 2 ILE HA A 2 ILE HG1x 1.0 0.0 3.95 249 226 A 43 VAL HA A 42 ARG HGx 1.0 0.0 4.02 250 226 A 43 VAL HA A 42 ARG HGy 1.0 0.0 4.02 251 227 A 42 ARG HA A 41 LEU HG 1.0 0.0 4.22 252 228 A 42 ARG HA A 42 ARG HGx 1.0 0.0 3.55 253 228 A 42 ARG HA A 42 ARG HGy 1.0 0.0 3.55 254 229 A 27 LYS HA A 26 LEU HG 1.0 0.0 4.33 255 230 A 45 PHE HBy A 50 LEU HDx% 1.0 0.0 3.54 256 230 A 50 LEU HDx% A 45 PHE HBx 1.0 0.0 3.54 257 231 A 59 CYS HBy A 50 LEU HDx% 1.0 0.0 5.12 258 231 A 50 LEU HDx% A 59 CYS HBx 1.0 0.0 5.12 259 232 A 50 LEU HDx% A 50 LEU HBx 1.0 0.0 4.16 260 233 A 41 LEU HBx A 41 LEU HDy% 1.0 0.0 2.59 261 234 A 41 LEU HDy% A 31 ALA HB% 1.0 0.0 3.27 262 235 A 21 THR HG2% A 26 LEU HDx% 1.0 0.0 3.59 263 236 A 75 ARG HA A 75 ARG HGx 1.0 0.0 3.83 264 236 A 75 ARG HA A 75 ARG HGy 1.0 0.0 3.83 265 237 A 41 LEU HDy% A 41 LEU HBy 1.0 0.0 3.24 266 238 A 31 ALA HA A 36 VAL HGy% 1.0 0.0 3.13 267 239 A 51 ARG HA A 50 LEU HA 1.0 0.0 4.52 268 240 A 61 LEU HA A 61 LEU HDx% 1.0 0.0 4.30 269 241 A 30 VAL HB A 31 ALA HA 1.0 0.0 5.41 270 242 A 31 ALA HA A 36 VAL HB 1.0 0.0 5.50 271 243 A 37 PRO HA A 38 ALA HA 1.0 0.0 4.70 272 244 A 41 LEU HBx A 38 ALA HA 1.0 0.0 3.36 273 245 A 38 ALA HA A 31 ALA HB% 1.0 0.0 3.08 274 246 A 17 VAL HGy% A 1 MET HA 1.0 0.0 5.08 275 247 A 38 ALA HA A 41 LEU HDy% 1.0 0.0 3.24 276 248 A 2 ILE H A 1 MET HA 1.0 0.0 2.85 277 249 A 32 LYS HA A 32 LYS HGy 1.0 0.0 3.97 278 250 A 32 LYS HA A 32 LYS HGx 1.0 0.0 3.97 279 251 A 32 LYS HEy A 32 LYS HGy 1.0 0.0 4.17 280 251 A 32 LYS HGy A 32 LYS HEx 1.0 0.0 4.17 281 252 A 32 LYS HEx A 32 LYS HGx 1.0 0.0 4.17 282 252 A 32 LYS HEy A 32 LYS HGx 1.0 0.0 4.17 283 253 A 1 MET HA A 1 MET HGx 1.0 0.0 3.58 284 253 A 1 MET HGy A 1 MET HA 1.0 0.0 3.58 285 254 A 2 ILE HB A 1 MET HA 1.0 0.0 4.89 286 255 A 34 GLN HA A 34 GLN HGy 1.0 0.0 4.17 287 256 A 34 GLN HA A 34 GLN HGx 1.0 0.0 4.17 288 257 A 48 LYS HA A 48 LYS HGx 1.0 0.0 3.67 289 257 A 48 LYS HGy A 48 LYS HA 1.0 0.0 3.67 290 258 A 33 ARG HBy A 30 VAL HGx% 1.0 0.0 4.72 291 258 A 30 VAL HGx% A 33 ARG HBx 1.0 0.0 4.72 292 259 A 21 THR HG2% A 26 LEU HDy% 1.0 0.0 3.59 293 260 A 30 VAL HA A 30 VAL HGx% 1.0 0.0 3.28 294 261 A 26 LEU HBy A 26 LEU HDy% 1.0 0.0 3.72 295 262 A 41 LEU HA A 41 LEU HDx% 1.0 0.0 3.20 296 263 A 71 GLN HA A 41 LEU HDx% 1.0 0.0 3.67 297 264 A 41 LEU HBx A 41 LEU HDx% 1.0 0.0 3.09 298 265 A 17 VAL HGy% A 17 VAL HA 1.0 0.0 3.22 299 266 A 17 VAL HGy% A 16 GLU HA 1.0 0.0 4.53 300 267 A 42 ARG HA A 43 VAL HGx% 1.0 0.0 4.18 301 268 A 67 VAL HA A 67 VAL HGx% 1.0 0.0 3.40 302 269 A 61 LEU HA A 61 LEU HDy% 1.0 0.0 4.30 303 270 A 45 PHE HBx A 50 LEU HDy% 1.0 0.0 3.54 304 270 A 45 PHE HBy A 50 LEU HDy% 1.0 0.0 3.54 305 271 A 45 PHE HBy A 67 VAL HGx% 1.0 0.0 4.34 306 271 A 67 VAL HGx% A 45 PHE HBx 1.0 0.0 4.34 307 272 A 59 CYS HBy A 50 LEU HDy% 1.0 0.0 5.12 308 272 A 50 LEU HDy% A 59 CYS HBx 1.0 0.0 5.12 309 273 A 59 CYS HBy A 61 LEU HDy% 1.0 0.0 4.16 310 273 A 59 CYS HBx A 61 LEU HDy% 1.0 0.0 4.16 311 274 A 29 VAL HGy% A 25 GLN HBx 1.0 0.0 3.35 312 274 A 25 GLN HBy A 29 VAL HGy% 1.0 0.0 3.35 313 275 A 61 LEU HG A 67 VAL HGx% 1.0 0.0 4.92 314 276 A 56 VAL HGy% A 61 LEU HDy% 1.0 0.0 4.40 315 277 A 55 THR HA A 56 VAL HGx% 1.0 0.0 4.29 316 278 A 21 THR HB A 56 VAL HGx% 1.0 0.0 3.40 317 279 A 26 LEU HA A 29 VAL HGy% 1.0 0.0 3.60 318 280 A 56 VAL HGx% A 56 VAL HA 1.0 0.0 3.34 319 281 A 21 THR HG2% A 56 VAL HGx% 1.0 0.0 3.44 320 282 A 56 VAL HGx% A 26 LEU HBx 1.0 0.0 3.91 321 283 A 55 THR HA A 55 THR HG2% 1.0 0.0 3.27 322 284 A 3 VAL HGy% A 2 ILE HA 1.0 0.0 4.01 323 285 A 42 ARG HA A 43 VAL HGy% 1.0 0.0 4.18 324 286 A 67 VAL HA A 67 VAL HGy% 1.0 0.0 3.40 325 287 A 56 VAL HGy% A 59 CYS HBx 1.0 0.0 3.37 326 287 A 56 VAL HGy% A 59 CYS HBy 1.0 0.0 3.37 327 288 A 21 THR HG2% A 17 VAL HA 1.0 0.0 4.09 328 289 A 3 VAL HA A 3 VAL HGy% 1.0 0.0 3.34 329 290 A 15 VAL HA A 15 VAL HGy% 1.0 0.0 3.42 330 291 A 15 VAL HA A 15 VAL HGx% 1.0 0.0 3.69 331 292 A 21 THR HG2% A 17 VAL HB 1.0 0.0 3.50 332 293 A 3 VAL HGy% A 1 MET HGx 1.0 0.0 4.58 333 293 A 3 VAL HGy% A 1 MET HGy 1.0 0.0 4.58 334 294 A 3 VAL HGy% A 15 VAL HB 1.0 0.0 3.54 335 295 A 3 VAL HGy% A 61 LEU HBy 1.0 0.0 3.73 336 296 A 3 VAL HGy% A 61 LEU HBx 1.0 0.0 3.73 337 297 A 21 THR HG2% A 17 VAL HGy% 1.0 0.0 3.72 338 298 A 17 VAL HGx% A 29 VAL HGy% 1.0 0.0 4.42 339 299 A 5 VAL HA A 5 VAL HGy% 1.0 0.0 3.45 340 300 A 67 VAL HB A 5 VAL HGy% 1.0 0.0 5.50 341 301 A 15 VAL HB A 5 VAL HGy% 1.0 0.0 4.56 342 302 A 6 ARG HGy A 5 VAL HGy% 1.0 0.0 5.04 343 302 A 5 VAL HGy% A 6 ARG HGx 1.0 0.0 5.04 344 303 A 36 VAL HA A 36 VAL HGx% 1.0 0.0 3.32 345 304 A 5 VAL HA A 5 VAL HGx% 1.0 0.0 3.45 346 305 A 31 ALA HA A 36 VAL HGx% 1.0 0.0 4.60 347 306 A 15 VAL HB A 5 VAL HGx% 1.0 0.0 4.56 348 307 A 29 VAL HGx% A 32 LYS HDx 1.0 0.0 4.50 349 307 A 29 VAL HGx% A 32 LYS HDy 1.0 0.0 4.50 350 308 A 15 VAL HGy% A 5 VAL HGx% 1.0 0.0 3.85 351 309 A 36 VAL HGy% A 37 PRO HDy 1.0 0.0 4.70 352 310 A 36 VAL HA A 37 PRO HDx 1.0 0.0 3.34 353 311 A 36 VAL HA A 37 PRO HDy 1.0 0.0 3.34 354 312 A 29 VAL HGx% A 33 ARG HA 1.0 0.0 5.28 355 313 A 29 VAL HGx% A 30 VAL HA 1.0 0.0 4.06 356 314 A 36 VAL HB A 37 PRO HDy 1.0 0.0 3.52 357 315 A 36 VAL HB A 37 PRO HDx 1.0 0.0 3.52 358 316 A 36 VAL HGx% A 37 PRO HDy 1.0 0.0 4.23 359 317 A 36 VAL HGx% A 37 PRO HDx 1.0 0.0 4.23 360 318 A 72 ARG HA A 73 PRO HDy 1.0 0.0 3.29 361 319 A 72 ARG HA A 73 PRO HDx 1.0 0.0 3.29 362 320 A 13 PHE HA A 14 PRO HDx 1.0 0.0 3.22 363 321 A 13 PHE HA A 14 PRO HDy 1.0 0.0 3.27 364 322 A 3 VAL HGx% A 62 ASP HA 1.0 0.0 4.32 365 323 A 14 PRO HDx A 13 PHE HBx 1.0 0.0 4.06 366 324 A 3 VAL HGx% A 2 ILE HA 1.0 0.0 3.88 367 325 A 36 VAL HGy% A 36 VAL HA 1.0 0.0 3.91 368 326 A 36 VAL HGy% A 37 PRO HDx 1.0 0.0 4.70 369 327 A 36 VAL HGy% A 34 GLN HBy 1.0 0.0 4.12 370 328 A 36 VAL HGy% A 34 GLN HBx 1.0 0.0 4.12 371 329 A 38 ALA HB% A 36 VAL HGy% 1.0 0.0 4.11 372 330 A 69 ILE HA A 69 ILE HG2% 1.0 0.0 3.48 373 331 A 17 VAL HGx% A 16 GLU HA 1.0 0.0 4.21 374 332 A 17 VAL HGx% A 17 VAL HA 1.0 0.0 3.54 375 333 A 43 VAL HA A 69 ILE HG2% 1.0 0.0 4.32 376 334 A 17 VAL HGx% A 21 THR HB 1.0 0.0 4.23 377 335 A 17 VAL HGx% A 21 THR HG2% 1.0 0.0 3.80 378 336 A 37 PRO HA A 31 ALA HB% 1.0 0.0 4.59 379 337 A 31 ALA HB% A 28 GLU HA 1.0 0.0 3.14 380 338 A 31 ALA HB% A 36 VAL HGy% 1.0 0.0 3.46 381 339 A 37 PRO HA A 38 ALA HB% 1.0 0.0 4.16 382 340 A 38 ALA HB% A 28 GLU HGy 1.0 0.0 3.82 383 341 A 38 ALA HB% A 31 ALA HB% 1.0 0.0 3.00 384 342 A 41 LEU HDy% A 38 ALA HB% 1.0 0.0 3.99 385 343 A 2 ILE HG2% A 16 GLU HA 1.0 0.0 4.24 386 344 A 2 ILE HG2% A 14 PRO HA 1.0 0.0 3.83 387 345 A 2 ILE HG2% A 2 ILE HA 1.0 0.0 3.43 388 346 A 2 ILE HG2% A 14 PRO HGx 1.0 0.0 4.63 389 346 A 2 ILE HG2% A 14 PRO HGy 1.0 0.0 4.63 390 347 A 2 ILE HG2% A 16 GLU HGx 1.0 0.0 5.05 391 347 A 2 ILE HG2% A 16 GLU HGy 1.0 0.0 5.05 392 348 A 2 ILE HG2% A 14 PRO HBx 1.0 0.0 4.00 393 349 A 2 ILE HG2% A 2 ILE HG1y 1.0 0.0 3.51 394 350 A 2 ILE HG2% A 2 ILE HG1x 1.0 0.0 3.51 395 351 A 5 VAL HA A 66 ILE HG2% 1.0 0.0 4.41 396 352 A 66 ILE HA A 66 ILE HG2% 1.0 0.0 3.55 397 353 A 66 ILE HG2% A 4 PHE HBx 1.0 0.0 3.99 398 353 A 4 PHE HBy A 66 ILE HG2% 1.0 0.0 3.99 399 354 A 66 ILE HG2% A 66 ILE HG1y 1.0 0.0 3.37 400 355 A 66 ILE HG2% A 66 ILE HG1x 1.0 0.0 3.37 401 356 A 23 ILE HG2% A 52 ASN HA 1.0 0.0 3.59 402 357 A 50 LEU HG A 23 ILE HG2% 1.0 0.0 3.63 403 358 A 23 ILE HG2% A 23 ILE HG1y 1.0 0.0 3.59 404 359 A 23 ILE HG2% A 23 ILE HG1x 1.0 0.0 3.59 405 360 A 44 ILE HG2% A 44 ILE HG1y 1.0 0.0 3.94 406 361 A 44 ILE HA A 44 ILE HG2% 1.0 0.0 3.26 407 362 A 44 ILE HG2% A 47 GLY HAx 1.0 0.0 4.22 408 363 A 44 ILE HG2% A 45 PHE HBx 1.0 0.0 4.92 409 363 A 45 PHE HBy A 44 ILE HG2% 1.0 0.0 4.92 410 364 A 62 ASP HA A 1 MET HE% 1.0 0.0 4.89 411 365 A 1 MET HE% A 57 GLN HA 1.0 0.0 3.60 412 366 A 1 MET HE% A 62 ASP HBx 1.0 0.0 4.46 413 367 A 1 MET HE% A 1 MET HGx 1.0 0.0 3.10 414 367 A 1 MET HGy A 1 MET HE% 1.0 0.0 3.10 415 368 A 3 VAL HGx% A 1 MET HE% 1.0 0.0 3.01 416 369 A 1 MET HE% A 62 ASP HBy 1.0 0.0 4.46 417 370 A 46 ALA HB% A 48 LYS HGx 1.0 0.0 3.85 418 370 A 46 ALA HB% A 48 LYS HGy 1.0 0.0 3.85 419 371 A 46 ALA HB% A 44 ILE HG2% 1.0 0.0 5.24 420 372 A 44 ILE HG2% A 47 GLY HAy 1.0 0.0 4.22 421 373 A 69 ILE HA A 69 ILE HD1% 1.0 0.0 4.06 422 374 A 27 LYS HA A 69 ILE HD1% 1.0 0.0 3.98 423 375 A 30 VAL HB A 69 ILE HD1% 1.0 0.0 3.90 424 376 A 66 ILE HD1% A 4 PHE HBx 1.0 0.0 3.62 425 376 A 4 PHE HBy A 66 ILE HD1% 1.0 0.0 3.62 426 377 A 66 ILE HD1% A 66 ILE HB 1.0 0.0 3.52 427 378 A 45 PHE HBy A 67 VAL HGy% 1.0 0.0 4.34 428 378 A 45 PHE HBx A 67 VAL HGy% 1.0 0.0 4.34 429 379 A 5 VAL HA A 66 ILE HD1% 1.0 0.0 4.11 430 380 A 4 PHE HA A 66 ILE HD1% 1.0 0.0 4.22 431 381 A 66 ILE HA A 66 ILE HD1% 1.0 0.0 4.47 432 382 A 33 ARG HDy A 33 ARG HBx 1.0 0.0 3.87 433 382 A 33 ARG HBy A 33 ARG HDy 1.0 0.0 3.87 434 383 A 33 ARG HBx A 33 ARG HDx 1.0 0.0 3.87 435 383 A 33 ARG HBy A 33 ARG HDx 1.0 0.0 3.87 436 384 A 41 LEU HDx% A 41 LEU HBy 1.0 0.0 3.29 437 385 A 50 LEU HBy A 50 LEU HDy% 1.0 0.0 4.16 438 386 A 50 LEU HBy A 50 LEU HDx% 1.0 0.0 4.16 439 387 A 23 ILE HG2% A 50 LEU HBy 1.0 0.0 4.23 440 388 A 23 ILE HG2% A 50 LEU HBx 1.0 0.0 4.23 441 389 A 44 ILE HA A 44 ILE HD1% 1.0 0.0 3.37 442 390 A 76 LYS HA A 76 LYS HEx 1.0 0.0 4.08 443 390 A 76 LYS HA A 76 LYS HEy 1.0 0.0 4.08 444 391 A 44 ILE HD1% A 42 ARG HDy 1.0 0.0 4.32 445 392 A 44 ILE HD1% A 42 ARG HDx 1.0 0.0 4.32 446 393 A 44 ILE HD1% A 44 ILE HB 1.0 0.0 3.38 447 394 A 44 ILE HD1% A 42 ARG HGx 1.0 0.0 3.41 448 394 A 42 ARG HGy A 44 ILE HD1% 1.0 0.0 3.41 449 395 A 48 LYS HEx A 48 LYS HGx 1.0 0.0 3.53 450 395 A 48 LYS HEy A 48 LYS HGx 1.0 0.0 3.53 451 395 A 48 LYS HGy A 48 LYS HEx 1.0 0.0 3.53 452 395 A 48 LYS HGy A 48 LYS HEy 1.0 0.0 3.53 453 396 A 46 ALA HB% A 48 LYS HEx 1.0 0.0 4.15 454 396 A 46 ALA HB% A 48 LYS HEy 1.0 0.0 4.15 455 397 A 32 LYS HBy A 32 LYS HEx 1.0 0.0 3.99 456 397 A 32 LYS HBx A 32 LYS HEx 1.0 0.0 3.99 457 397 A 32 LYS HEy A 32 LYS HBx 1.0 0.0 3.99 458 397 A 32 LYS HBy A 32 LYS HEy 1.0 0.0 3.99 459 398 A 29 VAL HGy% A 32 LYS HEx 1.0 0.0 4.51 460 398 A 32 LYS HEy A 29 VAL HGy% 1.0 0.0 4.51 461 399 A 16 GLU HA A 2 ILE HD1% 1.0 0.0 4.16 462 400 A 2 ILE HA A 2 ILE HD1% 1.0 0.0 4.06 463 401 A 2 ILE HD1% A 16 GLU HGx 1.0 0.0 3.46 464 401 A 16 GLU HGy A 2 ILE HD1% 1.0 0.0 3.46 465 402 A 2 ILE HB A 2 ILE HD1% 1.0 0.0 3.12 466 403 A 26 LEU HBx A 25 GLN HBx 1.0 0.0 4.41 467 403 A 25 GLN HBy A 26 LEU HBx 1.0 0.0 4.41 468 404 A 29 VAL HGy% A 26 LEU HBx 1.0 0.0 4.54 469 405 A 26 LEU HBy A 26 LEU HDx% 1.0 0.0 3.72 470 406 A 26 LEU HBx A 26 LEU HDx% 1.0 0.0 3.98 471 407 A 26 LEU HBx A 26 LEU HDy% 1.0 0.0 3.98 472 408 A 61 LEU HDx% A 61 LEU HBy 1.0 0.0 4.20 473 409 A 61 LEU HBy A 61 LEU HDy% 1.0 0.0 4.20 474 410 A 61 LEU HBx A 61 LEU HDy% 1.0 0.0 4.20 475 411 A 44 ILE HB A 68 HIS HBy 1.0 0.0 3.80 476 412 A 44 ILE HB A 68 HIS HBx 1.0 0.0 3.80 477 413 A 69 ILE HD1% A 69 ILE HB 1.0 0.0 3.57 478 414 A 23 ILE HB A 23 ILE HD1% 1.0 0.0 4.09 479 415 A 23 ILE HD1% A 50 LEU HDy% 1.0 0.0 4.13 480 416 A 14 PRO HDx A 13 PHE HBy 1.0 0.0 4.06 481 417 A 50 LEU HG A 23 ILE HD1% 1.0 0.0 4.44 482 418 A 23 ILE HD1% A 50 LEU HDx% 1.0 0.0 4.13 483 419 A 28 GLU HA A 28 GLU HGx 1.0 0.0 3.71 484 420 A 30 VAL HA A 33 ARG HBx 1.0 0.0 3.72 485 420 A 33 ARG HBy A 30 VAL HA 1.0 0.0 3.72 486 421 A 38 ALA HB% A 28 GLU HGx 1.0 0.0 3.82 487 422 A 30 VAL HA A 30 VAL HGy% 1.0 0.0 3.28 488 423 A 29 VAL HA A 30 VAL HA 1.0 0.0 4.84 489 424 A 56 VAL HA A 59 CYS HBx 1.0 0.0 4.18 490 424 A 59 CYS HBy A 56 VAL HA 1.0 0.0 4.18 491 425 A 56 VAL HGy% A 56 VAL HA 1.0 0.0 3.15 492 426 A 23 ILE HD1% A 56 VAL HA 1.0 0.0 3.36 493 427 A 29 VAL HA A 29 VAL HGy% 1.0 0.0 2.88 494 428 A 29 VAL HA A 29 VAL HGx% 1.0 0.0 3.13 495 429 A 2 ILE HA A 16 GLU HGx 1.0 0.0 3.98 496 429 A 2 ILE HA A 16 GLU HGy 1.0 0.0 3.98 497 430 A 29 VAL HA A 32 LYS HDx 1.0 0.0 4.23 498 430 A 29 VAL HA A 32 LYS HDy 1.0 0.0 4.23 499 431 A 16 GLU HA A 16 GLU HGx 1.0 0.0 3.48 500 431 A 16 GLU HA A 16 GLU HGy 1.0 0.0 3.48 501 432 A 21 THR HB A 17 VAL HB 1.0 0.0 3.92 502 433 A 20 ASP HA A 21 THR HA 1.0 0.0 4.77 503 434 A 17 VAL HB A 21 THR HA 1.0 0.0 5.27 504 435 A 21 THR HG2% A 21 THR HA 1.0 0.0 3.06 505 436 A 22 SER H A 21 THR HA 1.0 0.0 2.93 506 437 A 41 LEU HDx% A 71 GLN HGy 1.0 0.0 4.82 507 438 A 41 LEU HDx% A 71 GLN HGx 1.0 0.0 4.82 508 439 A 64 GLN HA A 64 GLN HGx 1.0 0.0 4.23 509 440 A 23 ILE HB A 52 ASN HA 1.0 0.0 3.59 510 441 A 1 MET HGy A 1 MET HBy 1.0 0.0 2.74 511 441 A 1 MET HBy A 1 MET HGx 1.0 0.0 2.74 512 442 A 1 MET HGy A 1 MET HBx 1.0 0.0 2.74 513 442 A 1 MET HBx A 1 MET HGx 1.0 0.0 2.74 514 443 A 69 ILE HD1% A 5 VAL HB 1.0 0.0 4.94 515 444 A 19 SER HBy A 57 GLN HGx 1.0 0.0 4.21 516 444 A 19 SER HBx A 57 GLN HGx 1.0 0.0 4.21 517 444 A 57 GLN HGy A 19 SER HBx 1.0 0.0 4.21 518 444 A 57 GLN HGy A 19 SER HBy 1.0 0.0 4.21 519 445 A 19 SER HBy A 57 GLN HBy 1.0 0.0 4.32 520 445 A 19 SER HBx A 57 GLN HBy 1.0 0.0 4.32 521 446 A 73 PRO HGy A 76 LYS HBx 1.0 0.0 4.30 522 446 A 73 PRO HGx A 76 LYS HBx 1.0 0.0 4.30 523 447 A 70 VAL HB A 42 ARG HBx 1.0 0.0 4.68 524 447 A 42 ARG HBy A 70 VAL HB 1.0 0.0 4.68 525 448 A 57 GLN HBx A 19 SER HBx 1.0 0.0 4.32 526 448 A 19 SER HBy A 57 GLN HBx 1.0 0.0 4.32 527 449 A 67 VAL HB A 5 VAL HGx% 1.0 0.0 5.50 528 450 A 24 PHE HA A 52 ASN HBx 1.0 0.0 4.16 529 450 A 52 ASN HBy A 24 PHE HA 1.0 0.0 4.16 530 451 A 27 LYS HBy A 24 PHE HA 1.0 0.0 3.95 531 452 A 2 ILE HG2% A 14 PRO HBy 1.0 0.0 4.00 532 453 A 20 ASP HA A 19 SER HA 1.0 0.0 4.57 533 454 A 28 GLU HBx A 27 LYS HBx 1.0 0.0 4.39 534 455 A 27 LYS HBx A 38 ALA HB% 1.0 0.0 4.54 535 456 A 23 ILE HG2% A 24 PHE HA 1.0 0.0 4.10 536 457 A 41 LEU HDy% A 27 LYS HBx 1.0 0.0 4.44 537 458 A 29 VAL HA A 32 LYS HBx 1.0 0.0 4.32 538 458 A 29 VAL HA A 32 LYS HBy 1.0 0.0 4.32 539 459 A 66 ILE HG2% A 6 ARG HBx 1.0 0.0 4.58 540 460 A 26 LEU HA A 29 VAL HB 1.0 0.0 3.94 541 461 A 26 LEU HBy A 23 ILE HA 1.0 0.0 3.70 542 462 A 56 VAL HB A 23 ILE HA 1.0 0.0 4.21 543 463 A 26 LEU HG A 29 VAL HB 1.0 0.0 5.07 544 464 A 23 ILE HG2% A 23 ILE HA 1.0 0.0 3.36 545 465 A 30 VAL HB A 27 LYS HA 1.0 0.0 4.52 546 466 A 41 LEU HDy% A 27 LYS HA 1.0 0.0 3.68 547 467 A 2 ILE HA A 1 MET HGx 1.0 0.0 4.02 548 467 A 2 ILE HA A 1 MET HGy 1.0 0.0 4.02 549 468 A 17 VAL HGy% A 1 MET HGx 1.0 0.0 4.07 550 468 A 17 VAL HGy% A 1 MET HGy 1.0 0.0 4.07 551 469 A 3 VAL HGx% A 1 MET HGx 1.0 0.0 3.03 552 469 A 3 VAL HGx% A 1 MET HGy 1.0 0.0 3.03 553 470 A 28 GLU HA A 28 GLU HGy 1.0 0.0 3.71 554 471 A 38 ALA HB% A 28 GLU HA 1.0 0.0 3.32 555 472 A 36 VAL HGx% A 34 GLN HBy 1.0 0.0 4.18 556 473 A 34 GLN HGx A 33 ARG HBx 1.0 0.0 4.18 557 473 A 33 ARG HBy A 34 GLN HGx 1.0 0.0 4.18 558 474 A 28 GLU HBx A 25 GLN HA 1.0 0.0 3.86 559 475 A 36 VAL HGx% A 34 GLN HBx 1.0 0.0 4.18 560 476 A 48 LYS HA A 48 LYS HDx 1.0 0.0 4.10 561 476 A 48 LYS HDy A 48 LYS HA 1.0 0.0 4.10 562 477 A 48 LYS HDx A 48 LYS HGx 1.0 0.0 2.72 563 477 A 48 LYS HGy A 48 LYS HDx 1.0 0.0 2.72 564 477 A 48 LYS HDy A 48 LYS HGy 1.0 0.0 2.72 565 477 A 48 LYS HDy A 48 LYS HGx 1.0 0.0 2.72 566 478 A 76 LYS HA A 76 LYS HDx 1.0 0.0 4.68 567 478 A 76 LYS HA A 76 LYS HDy 1.0 0.0 4.68 568 479 A 33 ARG HA A 32 LYS HDx 1.0 0.0 4.74 569 479 A 32 LYS HDy A 33 ARG HA 1.0 0.0 4.74 570 480 A 32 LYS HA A 32 LYS HBx 1.0 0.0 2.78 571 480 A 32 LYS HBy A 32 LYS HA 1.0 0.0 2.78 572 481 A 31 ALA HB% A 32 LYS HA 1.0 0.0 3.85 573 482 A 21 THR HG2% A 26 LEU HA 1.0 0.0 4.03 574 483 A 33 ARG HA A 33 ARG HGx 1.0 0.0 3.22 575 483 A 33 ARG HA A 33 ARG HGy 1.0 0.0 3.22 576 484 A 56 VAL HGx% A 57 GLN HA 1.0 0.0 4.29 577 485 A 56 VAL H A 57 GLN HA 1.0 0.0 4.98 578 486 A 56 VAL HA A 57 GLN HA 1.0 0.0 5.06 579 487 A 57 GLN HA A 57 GLN HGx 1.0 0.0 3.13 580 487 A 57 GLN HGy A 57 GLN HA 1.0 0.0 3.13 581 488 A 61 LEU HG A 59 CYS HBx 1.0 0.0 5.04 582 488 A 59 CYS HBy A 61 LEU HG 1.0 0.0 5.04 583 489 A 56 VAL HGy% A 57 GLN HA 1.0 0.0 3.99 584 490 A 61 LEU HDx% A 59 CYS HBx 1.0 0.0 4.16 585 490 A 59 CYS HBy A 61 LEU HDx% 1.0 0.0 4.16 586 491 A 69 ILE HB A 7 PHE HA 1.0 0.0 4.00 587 492 A 7 PHE HA A 8 ASN H 1.0 0.0 3.56 588 493 A 44 ILE H A 44 ILE HD1% 1.0 0.0 4.62 589 494 A 44 ILE H A 44 ILE HB 1.0 0.0 3.70 590 495 A 44 ILE H A 44 ILE HG2% 1.0 0.0 4.30 591 496 A 31 ALA H A 31 ALA HB% 1.0 0.0 2.98 592 497 A 45 PHE H A 44 ILE HG2% 1.0 0.0 3.53 593 498 A 7 PHE H A 7 PHE HBy 1.0 0.0 4.02 594 499 A 7 PHE H A 7 PHE HBx 1.0 0.0 4.02 595 500 A 3 VAL HGy% A 15 VAL H 1.0 0.0 4.49 596 501 A 4 PHE H A 3 VAL HGx% 1.0 0.0 4.11 597 502 A 2 ILE HG2% A 15 VAL H 1.0 0.0 3.65 598 503 A 4 PHE H A 4 PHE HBx 1.0 0.0 3.41 599 503 A 4 PHE H A 4 PHE HBy 1.0 0.0 3.41 600 504 A 4 PHE H A 3 VAL HB 1.0 0.0 3.77 601 505 A 15 VAL H A 14 PRO HBy 1.0 0.0 4.58 602 506 A 15 VAL H A 14 PRO HBx 1.0 0.0 4.58 603 507 A 69 ILE H A 69 ILE HB 1.0 0.0 3.94 604 508 A 42 ARG H A 42 ARG HGx 1.0 0.0 4.45 605 508 A 42 ARG HGy A 42 ARG H 1.0 0.0 4.45 606 509 A 42 ARG H A 69 ILE HG2% 1.0 0.0 4.29 607 510 A 69 ILE H A 69 ILE HG2% 1.0 0.0 4.72 608 511 A 69 ILE H A 69 ILE HD1% 1.0 0.0 4.54 609 512 A 42 ARG H A 41 LEU HBy 1.0 0.0 4.39 610 513 A 42 ARG H A 70 VAL HGx% 1.0 0.0 5.50 611 514 A 38 ALA H A 36 VAL HGy% 1.0 0.0 4.74 612 515 A 42 ARG H A 70 VAL HGy% 1.0 0.0 5.50 613 516 A 68 HIS H A 66 ILE HG2% 1.0 0.0 4.63 614 517 A 68 HIS H A 68 HIS HBy 1.0 0.0 3.84 615 518 A 68 HIS H A 68 HIS HBx 1.0 0.0 3.84 616 519 A 38 ALA H A 31 ALA HB% 1.0 0.0 3.78 617 520 A 38 ALA H A 38 ALA HB% 1.0 0.0 3.08 618 521 A 23 ILE H A 23 ILE HD1% 1.0 0.0 4.07 619 522 A 38 ALA H A 37 PRO HBy 1.0 0.0 4.17 620 523 A 3 VAL HGx% A 3 VAL H 1.0 0.0 3.45 621 524 A 17 VAL HGx% A 17 VAL H 1.0 0.0 3.20 622 525 A 2 ILE HG2% A 3 VAL H 1.0 0.0 3.48 623 526 A 17 VAL H A 16 GLU HGx 1.0 0.0 3.74 624 526 A 17 VAL H A 16 GLU HGy 1.0 0.0 3.74 625 527 A 50 LEU H A 49 GLU HGx 1.0 0.0 4.15 626 527 A 50 LEU H A 49 GLU HGy 1.0 0.0 4.15 627 528 A 3 VAL H A 3 VAL HB 1.0 0.0 3.98 628 529 A 50 LEU H A 48 LYS HDx 1.0 0.0 4.83 629 529 A 50 LEU H A 48 LYS HDy 1.0 0.0 4.83 630 530 A 2 ILE H A 2 ILE HG1x 1.0 0.0 4.30 631 531 A 43 VAL H A 44 ILE HD1% 1.0 0.0 4.51 632 532 A 2 ILE H A 2 ILE HD1% 1.0 0.0 4.31 633 533 A 2 ILE H A 1 MET HBx 1.0 0.0 4.22 634 534 A 43 VAL H A 42 ARG HBx 1.0 0.0 4.58 635 534 A 43 VAL H A 42 ARG HBy 1.0 0.0 4.58 636 535 A 43 VAL H A 43 VAL HB 1.0 0.0 3.89 637 536 A 2 ILE H A 1 MET HGx 1.0 0.0 3.73 638 536 A 2 ILE H A 1 MET HGy 1.0 0.0 3.73 639 537 A 67 VAL H A 67 VAL HGx% 1.0 0.0 4.31 640 538 A 70 VAL H A 69 ILE HG2% 1.0 0.0 3.72 641 539 A 67 VAL H A 66 ILE HG2% 1.0 0.0 3.84 642 540 A 67 VAL H A 66 ILE HD1% 1.0 0.0 4.40 643 541 A 56 VAL H A 1 MET HE% 1.0 0.0 5.50 644 542 A 67 VAL H A 66 ILE HB 1.0 0.0 4.16 645 543 A 49 GLU H A 48 LYS HGx 1.0 0.0 4.43 646 543 A 49 GLU H A 48 LYS HGy 1.0 0.0 4.43 647 544 A 56 VAL H A 56 VAL HGx% 1.0 0.0 3.06 648 545 A 56 VAL H A 56 VAL HB 1.0 0.0 3.57 649 546 A 49 GLU H A 49 GLU HGx 1.0 0.0 4.44 650 546 A 49 GLU H A 49 GLU HGy 1.0 0.0 4.44 651 547 A 71 GLN H A 70 VAL HB 1.0 0.0 4.12 652 548 A 71 GLN H A 71 GLN HBy 1.0 0.0 3.91 653 549 A 55 THR H A 58 ASN HBx 1.0 0.0 5.50 654 550 A 53 ASP H A 54 TRP HBx 1.0 0.0 4.87 655 551 A 57 GLN H A 56 VAL HB 1.0 0.0 4.19 656 552 A 56 VAL HGx% A 57 GLN H 1.0 0.0 3.80 657 553 A 57 GLN H A 57 GLN HGx 1.0 0.0 4.17 658 553 A 57 GLN H A 57 GLN HGy 1.0 0.0 4.17 659 554 A 57 GLN H A 57 GLN HBx 1.0 0.0 3.61 660 555 A 27 LYS H A 26 LEU HDy% 1.0 0.0 4.62 661 556 A 16 GLU H A 15 VAL HGx% 1.0 0.0 3.30 662 557 A 6 ARG H A 5 VAL HGx% 1.0 0.0 4.14 663 558 A 6 ARG H A 66 ILE HG2% 1.0 0.0 4.35 664 559 A 16 GLU H A 16 GLU HGx 1.0 0.0 4.07 665 559 A 16 GLU H A 16 GLU HGy 1.0 0.0 4.07 666 560 A 16 GLU H A 15 VAL HB 1.0 0.0 4.39 667 561 A 16 GLU H A 16 GLU HBy 1.0 0.0 3.45 668 562 A 27 LYS H A 27 LYS HGx 1.0 0.0 4.77 669 563 A 16 GLU H A 2 ILE HD1% 1.0 0.0 5.13 670 564 A 21 THR HG2% A 26 LEU H 1.0 0.0 3.93 671 565 A 26 LEU H A 26 LEU HBy 1.0 0.0 3.57 672 566 A 26 LEU H A 26 LEU HBx 1.0 0.0 3.57 673 567 A 62 ASP H A 62 ASP HBy 1.0 0.0 4.16 674 568 A 62 ASP H A 62 ASP HBx 1.0 0.0 4.16 675 569 A 3 VAL HGy% A 5 VAL H 1.0 0.0 5.50 676 570 A 3 VAL HGy% A 62 ASP H 1.0 0.0 5.50 677 571 A 5 VAL H A 5 VAL HGy% 1.0 0.0 4.63 678 572 A 5 VAL H A 5 VAL HGx% 1.0 0.0 4.63 679 573 A 5 VAL H A 5 VAL HB 1.0 0.0 3.98 680 574 A 21 THR HG2% A 25 GLN H 1.0 0.0 4.33 681 575 A 34 GLN H A 36 VAL HGy% 1.0 0.0 4.45 682 576 A 20 ASP H A 20 ASP HBy 1.0 0.0 3.80 683 577 A 20 ASP H A 20 ASP HBx 1.0 0.0 3.80 684 578 A 25 GLN H A 24 PHE HBy 1.0 0.0 4.23 685 579 A 66 ILE H A 66 ILE HG1y 1.0 0.0 4.70 686 580 A 35 GLY H A 36 VAL HGx% 1.0 0.0 4.40 687 581 A 66 ILE H A 66 ILE HB 1.0 0.0 3.50 688 582 A 28 GLU H A 38 ALA HB% 1.0 0.0 4.64 689 583 A 48 LYS H A 48 LYS HEx 1.0 0.0 4.76 690 583 A 48 LYS H A 48 LYS HEy 1.0 0.0 4.76 691 584 A 63 GLN H A 62 ASP HBx 1.0 0.0 4.47 692 585 A 63 GLN H A 60 ASP HBx 1.0 0.0 5.05 693 586 A 28 GLU H A 28 GLU HGy 1.0 0.0 4.16 694 587 A 28 GLU H A 28 GLU HGx 1.0 0.0 4.16 695 588 A 63 GLN H A 63 GLN HBy 1.0 0.0 4.04 696 589 A 63 GLN H A 1 MET HE% 1.0 0.0 4.62 697 590 A 63 GLN H A 62 ASP HBy 1.0 0.0 4.47 698 591 A 63 GLN H A 60 ASP HBy 1.0 0.0 5.05 699 592 A 48 LYS H A 48 LYS HBx 1.0 0.0 4.16 700 593 A 27 LYS HBy A 28 GLU H 1.0 0.0 4.15 701 594 A 28 GLU HBy A 28 GLU H 1.0 0.0 3.50 702 595 A 28 GLU HBx A 28 GLU H 1.0 0.0 3.59 703 596 A 63 GLN H A 63 GLN HBx 1.0 0.0 4.04 704 597 A 30 VAL H A 41 LEU HDy% 1.0 0.0 5.23 705 598 A 29 VAL H A 29 VAL HGy% 1.0 0.0 2.86 706 599 A 30 VAL H A 29 VAL HGx% 1.0 0.0 3.58 707 600 A 29 VAL H A 29 VAL HB 1.0 0.0 3.39 708 601 A 30 VAL H A 29 VAL HB 1.0 0.0 3.55 709 602 A 30 VAL H A 30 VAL HGx% 1.0 0.0 3.97 710 603 A 30 VAL H A 30 VAL HB 1.0 0.0 3.39 711 604 A 32 LYS H A 32 LYS HGy 1.0 0.0 4.83 712 605 A 32 LYS H A 32 LYS HEx 1.0 0.0 5.26 713 605 A 32 LYS H A 32 LYS HEy 1.0 0.0 5.26 714 606 A 76 LYS H A 76 LYS HEx 1.0 0.0 5.50 715 606 A 76 LYS H A 76 LYS HEy 1.0 0.0 5.50 716 607 A 76 LYS H A 76 LYS HDx 1.0 0.0 5.17 717 607 A 76 LYS H A 76 LYS HDy 1.0 0.0 5.17 718 608 A 61 LEU H A 59 CYS HBx 1.0 0.0 4.32 719 608 A 61 LEU H A 59 CYS HBy 1.0 0.0 4.32 720 609 A 61 LEU H A 61 LEU HG 1.0 0.0 4.29 721 610 A 32 LYS H A 32 LYS HGx 1.0 0.0 4.83 722 611 A 32 LYS H A 31 ALA HB% 1.0 0.0 3.27 723 612 A 61 LEU H A 61 LEU HBx 1.0 0.0 3.90 724 613 A 54 TRP H A 53 ASP HBy 1.0 0.0 4.95 725 614 A 40 GLN H A 39 ASP HBy 1.0 0.0 4.76 726 615 A 40 GLN H A 39 ASP HBx 1.0 0.0 4.76 727 616 A 36 VAL H A 36 VAL HGy% 1.0 0.0 3.38 728 617 A 40 GLN H A 40 GLN HBy 1.0 0.0 3.88 729 618 A 36 VAL H A 36 VAL HGx% 1.0 0.0 3.95 730 619 A 36 VAL HGx% A 71 GLN HE2y 1.0 0.0 4.47 731 620 A 41 LEU HDy% A 41 LEU H 1.0 0.0 4.35 732 621 A 29 VAL HGx% A 33 ARG H 1.0 0.0 4.44 733 622 A 33 ARG H A 32 LYS HDx 1.0 0.0 4.49 734 622 A 33 ARG H A 32 LYS HDy 1.0 0.0 4.49 735 623 A 45 PHE HD% A 61 LEU HDy% 1.0 0.0 5.02 736 624 A 45 PHE HE% A 61 LEU HDy% 1.0 0.0 5.33 737 625 A 45 PHE HD% A 48 LYS HEx 1.0 0.0 4.23 738 625 A 48 LYS HEy A 45 PHE HD% 1.0 0.0 4.23 739 626 A 45 PHE HD% A 61 LEU HDx% 1.0 0.0 5.02 740 627 A 45 PHE HE% A 61 LEU HDx% 1.0 0.0 5.33 741 628 A 45 PHE HD% A 50 LEU HDy% 1.0 0.0 4.40 742 629 A 46 ALA HB% A 45 PHE HD% 1.0 0.0 3.73 743 630 A 46 ALA HB% A 45 PHE HE% 1.0 0.0 4.07 744 631 A 45 PHE HD% A 48 LYS HDx 1.0 0.0 4.60 745 631 A 48 LYS HDy A 45 PHE HD% 1.0 0.0 4.60 746 632 A 45 PHE HD% A 50 LEU HDx% 1.0 0.0 4.40 747 633 A 41 LEU HDx% A 7 PHE HZ 1.0 0.0 3.57 748 634 A 7 PHE HZ A 36 VAL HGx% 1.0 0.0 3.84 749 635 A 7 PHE HZ A 36 VAL HGy% 1.0 0.0 3.63 750 636 A 2 ILE HG2% A 4 PHE HE% 1.0 0.0 4.60 751 637 A 69 ILE HD1% A 7 PHE HE% 1.0 0.0 4.58 752 638 A 41 LEU HDy% A 7 PHE HD% 1.0 0.0 5.02 753 639 A 41 LEU HDy% A 7 PHE HZ 1.0 0.0 5.46 754 640 A 66 ILE HD1% A 4 PHE HE% 1.0 0.0 5.38 755 641 A 68 HIS HD2 A 6 ARG HDx 1.0 0.0 4.49 756 641 A 68 HIS HD2 A 6 ARG HDy 1.0 0.0 4.49 757 642 A 66 ILE HG2% A 4 PHE HD% 1.0 0.0 5.50 758 643 A 13 PHE HE% A 7 PHE HBy 1.0 0.0 4.46 759 644 A 13 PHE HD% A 5 VAL HB 1.0 0.0 5.50 760 645 A 5 VAL HB A 13 PHE HE% 1.0 0.0 5.50 761 646 A 36 VAL HGx% A 71 GLN HE2x 1.0 0.0 4.47 762 647 A 51 ARG H A 51 ARG HGy 1.0 0.0 4.48 763 648 A 21 THR HB A 56 VAL H 1.0 0.0 4.77 764 649 A 28 GLU H A 25 GLN HA 1.0 0.0 3.86 765 650 A 57 GLN H A 19 SER HA 1.0 0.0 4.69 766 651 A 27 LYS H A 24 PHE HA 1.0 0.0 4.17 767 652 A 13 PHE HD% A 14 PRO HDx 1.0 0.0 4.22 768 653 A 13 PHE HD% A 14 PRO HDy 1.0 0.0 4.92 769 654 A 26 LEU H A 23 ILE HA 1.0 0.0 4.02 770 655 A 31 ALA H A 28 GLU HA 1.0 0.0 4.26 771 656 A 34 GLN H A 31 ALA HA 1.0 0.0 4.31 772 657 A 63 GLN H A 61 LEU HA 1.0 0.0 4.16 773 658 A 61 LEU HA A 45 PHE HE% 1.0 0.0 4.28 774 659 A 38 ALA HA A 41 LEU H 1.0 0.0 4.26 775 660 A 30 VAL H A 27 LYS HA 1.0 0.0 3.91 776 661 A 33 ARG H A 30 VAL HA 1.0 0.0 4.21 777 662 A 30 VAL HA A 13 PHE HZ 1.0 0.0 5.22 778 663 A 53 ASP H A 54 TRP HBy 1.0 0.0 4.87 779 664 A 44 ILE HG2% A 48 LYS HGx 1.0 0.0 5.03 780 664 A 44 ILE HG2% A 48 LYS HGy 1.0 0.0 5.03 781 665 A 45 PHE HA A 45 PHE HD% 1.0 0.0 3.46 782 666 A 66 ILE HG2% A 6 ARG HBy 1.0 0.0 4.58 783 667 A 23 ILE HD1% A 23 ILE HA 1.0 0.0 3.03 784 668 A 56 VAL HB A 23 ILE HD1% 1.0 0.0 4.08 785 669 A 3 VAL HA A 3 VAL HGx% 1.0 0.0 2.96 786 670 A 13 PHE HZ A 30 VAL HGx% 1.0 0.0 4.51 787 671 A 2 ILE HA A 16 GLU HA 1.0 0.0 3.97 788 672 A 42 ARG HA A 41 LEU HA 1.0 0.0 4.62 789 673 A 4 PHE HA A 14 PRO HA 1.0 0.0 3.99 790 674 A 71 GLN HA A 41 LEU HA 1.0 0.0 4.17 791 675 A 73 PRO HA A 74 TRP HA 1.0 0.0 4.61 792 676 A 55 THR HB A 20 ASP HA 1.0 0.0 4.14 793 677 A 62 ASP HA A 63 GLN HA 1.0 0.0 4.78 794 678 A 3 VAL HA A 62 ASP HA 1.0 0.0 4.17 795 679 A 28 GLU HBy A 25 GLN HA 1.0 0.0 4.18 796 680 A 76 LYS HBy A 73 PRO HGx 1.0 0.0 4.30 797 680 A 73 PRO HGy A 76 LYS HBy 1.0 0.0 4.30 798 681 A 66 ILE HD1% A 6 ARG HGx 1.0 0.0 4.74 799 681 A 6 ARG HGy A 66 ILE HD1% 1.0 0.0 4.74 800 682 A 13 PHE HE% A 30 VAL HGx% 1.0 0.0 4.30 801 683 A 61 LEU HG A 67 VAL HGy% 1.0 0.0 4.92 802 684 A 50 LEU HBx A 50 LEU HDy% 1.0 0.0 4.16 803 685 A 17 VAL HGx% A 56 VAL HGx% 1.0 0.0 3.74 804 686 A 56 VAL HGx% A 23 ILE HD1% 1.0 0.0 4.18 805 687 A 17 VAL HB A 56 VAL HGx% 1.0 0.0 4.26 806 688 A 17 VAL HGy% A 56 VAL HGx% 1.0 0.0 3.20 807 689 A 55 THR HG2% A 20 ASP HA 1.0 0.0 4.34 808 690 A 21 THR HG2% A 29 VAL HGy% 1.0 0.0 4.29 809 691 A 15 VAL HGy% A 5 VAL HB 1.0 0.0 4.19 810 692 A 15 VAL HGy% A 5 VAL HGy% 1.0 0.0 3.85 811 693 A 56 VAL HGy% A 61 LEU HDx% 1.0 0.0 4.40 812 694 A 17 VAL HGx% A 29 VAL HGx% 1.0 0.0 4.39 813 695 A 17 VAL HGx% A 15 VAL HGx% 1.0 0.0 3.38 814 696 A 41 LEU HDy% A 69 ILE HG2% 1.0 0.0 3.54 815 697 A 69 ILE HG2% A 69 ILE HD1% 1.0 0.0 3.67 816 698 A 66 ILE HG2% A 66 ILE HD1% 1.0 0.0 3.67 817 699 A 23 ILE HG2% A 52 ASN HBx 1.0 0.0 4.43 818 699 A 23 ILE HG2% A 52 ASN HBy 1.0 0.0 4.43 819 700 A 56 VAL HGx% A 1 MET HE% 1.0 0.0 4.11 820 701 A 17 VAL HGy% A 1 MET HE% 1.0 0.0 4.02 821 702 A 56 VAL HGy% A 1 MET HE% 1.0 0.0 4.26 822 703 A 66 ILE HD1% A 6 ARG HA 1.0 0.0 4.53 823 704 A 21 THR HG2% A 26 LEU HBy 1.0 0.0 4.17 824 705 A 61 LEU HBx A 61 LEU HDx% 1.0 0.0 4.20 825 706 A 64 GLN HA A 64 GLN HGy 1.0 0.0 4.23 826 707 A 33 ARG HBx A 34 GLN HGy 1.0 0.0 4.18 827 707 A 33 ARG HBy A 34 GLN HGy 1.0 0.0 4.18 828 708 A 30 VAL HB A 29 VAL HB 1.0 0.0 4.89 829 709 A 30 VAL HB A 41 LEU HDy% 1.0 0.0 4.76 830 710 A 33 ARG HBy A 30 VAL HGy% 1.0 0.0 4.72 831 710 A 30 VAL HGy% A 33 ARG HBx 1.0 0.0 4.72 832 711 A 21 THR HG2% A 25 GLN HBx 1.0 0.0 3.19 833 711 A 21 THR HG2% A 25 GLN HBy 1.0 0.0 3.19 834 712 A 6 ARG HGy A 5 VAL HGx% 1.0 0.0 5.04 835 712 A 5 VAL HGx% A 6 ARG HGx 1.0 0.0 5.04 836 713 A 28 GLU HBy A 38 ALA HB% 1.0 0.0 4.32 837 714 A 13 PHE HD% A 13 PHE HA 1.0 0.0 4.18 838 715 A 13 PHE HD% A 15 VAL HGy% 1.0 0.0 3.16 839 716 A 45 PHE HA A 45 PHE HE% 1.0 0.0 4.78 840 717 A 67 VAL HA A 45 PHE HD% 1.0 0.0 3.61 841 718 A 69 ILE HG2% A 7 PHE HD% 1.0 0.0 3.46 842 719 A 7 PHE HA A 7 PHE HD% 1.0 0.0 3.94 843 720 A 69 ILE HB A 7 PHE HD% 1.0 0.0 3.80 844 721 A 41 LEU HDx% A 7 PHE HD% 1.0 0.0 4.09 845 722 A 69 ILE HD1% A 7 PHE HD% 1.0 0.0 4.25 846 723 A 24 PHE HA A 24 PHE HE% 1.0 0.0 4.46 847 724 A 69 ILE HG2% A 7 PHE HE% 1.0 0.0 3.77 848 725 A 41 LEU HDx% A 7 PHE HE% 1.0 0.0 3.59 849 726 A 24 PHE HD% A 52 ASN HBx 1.0 0.0 3.86 850 726 A 52 ASN HBy A 24 PHE HD% 1.0 0.0 3.86 851 727 A 24 PHE HA A 24 PHE HD% 1.0 0.0 3.53 852 728 A 4 PHE HD% A 66 ILE HD1% 1.0 0.0 4.07 853 729 A 2 ILE HG2% A 4 PHE HD% 1.0 0.0 4.05 854 730 A 4 PHE HA A 4 PHE HD% 1.0 0.0 3.83 855 731 A 15 VAL HGy% A 13 PHE HE% 1.0 0.0 3.47 856 732 A 13 PHE HE% A 30 VAL HGy% 1.0 0.0 4.30 857 733 A 13 PHE HZ A 30 VAL HGy% 1.0 0.0 4.51 858 734 A 74 TRP HA A 74 TRP HD1 1.0 0.0 3.96 859 735 A 74 TRP HD1 A 74 TRP HBx 1.0 0.0 3.28 860 735 A 74 TRP HBy A 74 TRP HD1 1.0 0.0 3.28 861 736 A 55 THR HG2% A 54 TRP HH2 1.0 0.0 4.20 862 737 A 74 TRP HE3 A 74 TRP HBx 1.0 0.0 3.81 863 737 A 74 TRP HBy A 74 TRP HE3 1.0 0.0 3.81 864 738 A 54 TRP HE3 A 55 THR HG2% 1.0 0.0 4.34 865 739 A 68 HIS HA A 68 HIS HD2 1.0 0.0 3.58 866 740 A 55 THR HG2% A 54 TRP HZ2 1.0 0.0 4.25 867 741 A 13 PHE HE% A 7 PHE HBx 1.0 0.0 4.46 868 742 A 68 HIS HD2 A 66 ILE HD1% 1.0 0.0 4.60 869 743 A 66 ILE HG2% A 68 HIS HD2 1.0 0.0 4.42 870 744 A 68 HIS HD2 A 6 ARG HGx 1.0 0.0 4.34 871 744 A 68 HIS HD2 A 6 ARG HGy 1.0 0.0 4.34 872 745 A 68 HIS HD2 A 66 ILE HB 1.0 0.0 5.33 873 746 A 11 HIS HA A 11 HIS HD2 1.0 0.0 4.60 874 747 A 66 ILE HG2% A 68 HIS HE1 1.0 0.0 4.66 875 748 A 61 LEU HA A 45 PHE HZ 1.0 0.0 4.35 876 749 A 1 MET HE% A 1 MET HBy 1.0 0.0 4.19 877 749 A 1 MET HE% A 1 MET HBx 1.0 0.0 4.19 878 750 A 3 VAL HGx% A 1 MET HBy 1.0 0.0 4.40 879 750 A 3 VAL HGx% A 1 MET HBx 1.0 0.0 4.40 880 751 A 1 MET HGy A 62 ASP HBy 1.0 0.0 4.24 881 751 A 1 MET HGx A 62 ASP HBy 1.0 0.0 4.24 882 751 A 62 ASP HBx A 1 MET HGx 1.0 0.0 4.24 883 751 A 1 MET HGy A 62 ASP HBx 1.0 0.0 4.24 884 752 A 1 MET HE% A 57 GLN HBy 1.0 0.0 4.39 885 752 A 1 MET HE% A 57 GLN HBx 1.0 0.0 4.39 886 753 A 1 MET HE% A 62 ASP HBy 1.0 0.0 3.81 887 753 A 1 MET HE% A 62 ASP HBx 1.0 0.0 3.81 888 754 A 2 ILE H A 2 ILE HG1x 1.0 0.0 3.75 889 754 A 2 ILE H A 2 ILE HG1y 1.0 0.0 3.75 890 755 A 2 ILE HA A 2 ILE HG1x 1.0 0.0 3.41 891 755 A 2 ILE HA A 2 ILE HG1y 1.0 0.0 3.41 892 756 A 2 ILE HG2% A 14 PRO HBy 1.0 0.0 3.26 893 756 A 2 ILE HG2% A 14 PRO HBx 1.0 0.0 3.26 894 757 A 2 ILE HG1y A 16 GLU HBx 1.0 0.0 3.92 895 757 A 2 ILE HG1x A 16 GLU HBx 1.0 0.0 3.92 896 757 A 16 GLU HBy A 2 ILE HG1x 1.0 0.0 3.92 897 757 A 2 ILE HG1y A 16 GLU HBy 1.0 0.0 3.92 898 758 A 2 ILE HG1y A 16 GLU HGx 1.0 0.0 4.10 899 758 A 2 ILE HG1x A 16 GLU HGx 1.0 0.0 4.10 900 758 A 16 GLU HGy A 2 ILE HG1x 1.0 0.0 4.10 901 758 A 16 GLU HGy A 2 ILE HG1y 1.0 0.0 4.10 902 759 A 17 VAL H A 2 ILE HG1x 1.0 0.0 4.74 903 759 A 17 VAL H A 2 ILE HG1y 1.0 0.0 4.74 904 760 A 2 ILE HD1% A 16 GLU HBx 1.0 0.0 3.81 905 760 A 2 ILE HD1% A 16 GLU HBy 1.0 0.0 3.81 906 761 A 3 VAL HGx% A 61 LEU HBy 1.0 0.0 3.81 907 761 A 3 VAL HGx% A 61 LEU HBx 1.0 0.0 3.81 908 762 A 3 VAL HGx% A 61 LEU HDy% 1.0 0.0 4.07 909 762 A 3 VAL HGx% A 61 LEU HDx% 1.0 0.0 4.07 910 763 A 3 VAL HGx% A 62 ASP HBy 1.0 0.0 3.80 911 763 A 3 VAL HGx% A 62 ASP HBx 1.0 0.0 3.80 912 764 A 3 VAL HGy% A 5 VAL HGy% 1.0 0.0 3.66 913 764 A 3 VAL HGy% A 5 VAL HGx% 1.0 0.0 3.66 914 765 A 3 VAL HGy% A 61 LEU HBy 1.0 0.0 3.24 915 765 A 3 VAL HGy% A 61 LEU HBx 1.0 0.0 3.24 916 766 A 3 VAL HGy% A 67 VAL HGy% 1.0 0.0 3.61 917 766 A 3 VAL HGy% A 67 VAL HGx% 1.0 0.0 3.61 918 767 A 4 PHE H A 67 VAL HGy% 1.0 0.0 5.43 919 767 A 4 PHE H A 67 VAL HGx% 1.0 0.0 5.43 920 768 A 4 PHE HA A 5 VAL HGy% 1.0 0.0 4.08 921 768 A 4 PHE HA A 5 VAL HGx% 1.0 0.0 4.08 922 769 A 4 PHE HD% A 14 PRO HBy 1.0 0.0 4.80 923 769 A 4 PHE HD% A 14 PRO HBx 1.0 0.0 4.80 924 770 A 4 PHE HD% A 66 ILE HG1y 1.0 0.0 4.10 925 770 A 4 PHE HD% A 66 ILE HG1x 1.0 0.0 4.10 926 771 A 5 VAL H A 5 VAL HGy% 1.0 0.0 3.47 927 771 A 5 VAL H A 5 VAL HGx% 1.0 0.0 3.47 928 772 A 5 VAL H A 12 GLY HAx 1.0 0.0 4.65 929 772 A 5 VAL H A 12 GLY HAy 1.0 0.0 4.65 930 773 A 5 VAL HA A 6 ARG HBy 1.0 0.0 4.69 931 773 A 5 VAL HA A 6 ARG HBx 1.0 0.0 4.69 932 774 A 5 VAL HB A 67 VAL HGy% 1.0 0.0 4.58 933 774 A 5 VAL HB A 67 VAL HGx% 1.0 0.0 4.58 934 775 A 6 ARG H A 5 VAL HGy% 1.0 0.0 3.51 935 775 A 6 ARG H A 5 VAL HGx% 1.0 0.0 3.51 936 776 A 5 VAL HGy% A 6 ARG HGx 1.0 0.0 4.37 937 776 A 5 VAL HGx% A 6 ARG HGx 1.0 0.0 4.37 938 776 A 6 ARG HGy A 5 VAL HGy% 1.0 0.0 4.37 939 776 A 6 ARG HGy A 5 VAL HGx% 1.0 0.0 4.37 940 777 A 7 PHE HD% A 5 VAL HGy% 1.0 0.0 4.58 941 777 A 7 PHE HD% A 5 VAL HGx% 1.0 0.0 4.58 942 778 A 13 PHE H A 5 VAL HGy% 1.0 0.0 4.30 943 778 A 13 PHE H A 5 VAL HGx% 1.0 0.0 4.30 944 779 A 13 PHE HD% A 5 VAL HGy% 1.0 0.0 3.89 945 779 A 13 PHE HD% A 5 VAL HGx% 1.0 0.0 3.89 946 780 A 13 PHE HE% A 5 VAL HGy% 1.0 0.0 4.21 947 780 A 13 PHE HE% A 5 VAL HGx% 1.0 0.0 4.21 948 781 A 13 PHE HZ A 5 VAL HGy% 1.0 0.0 4.16 949 781 A 13 PHE HZ A 5 VAL HGx% 1.0 0.0 4.16 950 782 A 15 VAL HB A 5 VAL HGy% 1.0 0.0 3.57 951 782 A 15 VAL HB A 5 VAL HGx% 1.0 0.0 3.57 952 783 A 15 VAL HGy% A 5 VAL HGy% 1.0 0.0 2.85 953 783 A 15 VAL HGy% A 5 VAL HGx% 1.0 0.0 2.85 954 784 A 17 VAL HGx% A 5 VAL HGy% 1.0 0.0 4.94 955 784 A 17 VAL HGx% A 5 VAL HGx% 1.0 0.0 4.94 956 785 A 30 VAL HB A 5 VAL HGy% 1.0 0.0 5.36 957 785 A 30 VAL HB A 5 VAL HGx% 1.0 0.0 5.36 958 786 A 5 VAL HGx% A 30 VAL HGy% 1.0 0.0 3.25 959 786 A 5 VAL HGy% A 30 VAL HGy% 1.0 0.0 3.25 960 786 A 30 VAL HGx% A 5 VAL HGy% 1.0 0.0 3.25 961 786 A 5 VAL HGx% A 30 VAL HGx% 1.0 0.0 3.25 962 787 A 67 VAL HB A 5 VAL HGy% 1.0 0.0 4.16 963 787 A 67 VAL HB A 5 VAL HGx% 1.0 0.0 4.16 964 788 A 5 VAL HGx% A 67 VAL HGy% 1.0 0.0 3.37 965 788 A 5 VAL HGy% A 67 VAL HGy% 1.0 0.0 3.37 966 788 A 67 VAL HGx% A 5 VAL HGy% 1.0 0.0 3.37 967 788 A 5 VAL HGx% A 67 VAL HGx% 1.0 0.0 3.37 968 789 A 69 ILE HB A 5 VAL HGy% 1.0 0.0 3.97 969 789 A 69 ILE HB A 5 VAL HGx% 1.0 0.0 3.97 970 790 A 69 ILE HG2% A 5 VAL HGy% 1.0 0.0 5.42 971 790 A 69 ILE HG2% A 5 VAL HGx% 1.0 0.0 5.42 972 791 A 69 ILE HD1% A 5 VAL HGy% 1.0 0.0 3.79 973 791 A 69 ILE HD1% A 5 VAL HGx% 1.0 0.0 3.79 974 792 A 6 ARG H A 66 ILE HG1y 1.0 0.0 4.61 975 792 A 6 ARG H A 66 ILE HG1x 1.0 0.0 4.61 976 793 A 6 ARG HBx A 6 ARG HDx 1.0 0.0 3.57 977 793 A 6 ARG HDy A 6 ARG HBy 1.0 0.0 3.57 978 793 A 6 ARG HDy A 6 ARG HBx 1.0 0.0 3.57 979 793 A 6 ARG HBy A 6 ARG HDx 1.0 0.0 3.57 980 794 A 66 ILE HG2% A 6 ARG HBy 1.0 0.0 3.96 981 794 A 66 ILE HG2% A 6 ARG HBx 1.0 0.0 3.96 982 795 A 66 ILE HD1% A 6 ARG HBy 1.0 0.0 4.31 983 795 A 66 ILE HD1% A 6 ARG HBx 1.0 0.0 4.31 984 796 A 68 HIS HA A 6 ARG HBy 1.0 0.0 5.04 985 796 A 68 HIS HA A 6 ARG HBx 1.0 0.0 5.04 986 797 A 6 ARG HGy A 66 ILE HG1y 1.0 0.0 3.57 987 797 A 6 ARG HGx A 66 ILE HG1y 1.0 0.0 3.57 988 797 A 66 ILE HG1x A 6 ARG HGx 1.0 0.0 3.57 989 797 A 6 ARG HGy A 66 ILE HG1x 1.0 0.0 3.57 990 798 A 6 ARG HDx A 66 ILE HG1y 1.0 0.0 4.32 991 798 A 6 ARG HDy A 66 ILE HG1y 1.0 0.0 4.32 992 798 A 66 ILE HG1x A 6 ARG HDx 1.0 0.0 4.32 993 798 A 6 ARG HDy A 66 ILE HG1x 1.0 0.0 4.32 994 799 A 7 PHE H A 7 PHE HBx 1.0 0.0 3.40 995 799 A 7 PHE H A 7 PHE HBy 1.0 0.0 3.40 996 800 A 13 PHE HE% A 7 PHE HBx 1.0 0.0 3.88 997 800 A 13 PHE HE% A 7 PHE HBy 1.0 0.0 3.88 998 801 A 7 PHE HBy A 30 VAL HGy% 1.0 0.0 4.56 999 801 A 7 PHE HBx A 30 VAL HGy% 1.0 0.0 4.56 1000 801 A 30 VAL HGx% A 7 PHE HBx 1.0 0.0 4.56 1001 801 A 30 VAL HGx% A 7 PHE HBy 1.0 0.0 4.56 1002 802 A 69 ILE HD1% A 7 PHE HBx 1.0 0.0 4.45 1003 802 A 69 ILE HD1% A 7 PHE HBy 1.0 0.0 4.45 1004 803 A 7 PHE HD% A 30 VAL HGy% 1.0 0.0 3.66 1005 803 A 7 PHE HD% A 30 VAL HGx% 1.0 0.0 3.66 1006 804 A 7 PHE HZ A 71 GLN HBx 1.0 0.0 4.30 1007 804 A 7 PHE HZ A 71 GLN HBy 1.0 0.0 4.30 1008 805 A 7 PHE HZ A 71 GLN HGx 1.0 0.0 4.53 1009 805 A 7 PHE HZ A 71 GLN HGy 1.0 0.0 4.53 1010 806 A 8 ASN H A 70 VAL HGy% 1.0 0.0 4.50 1011 806 A 8 ASN H A 70 VAL HGx% 1.0 0.0 4.50 1012 807 A 8 ASN HA A 70 VAL HGy% 1.0 0.0 4.05 1013 807 A 70 VAL HGx% A 8 ASN HA 1.0 0.0 4.05 1014 808 A 14 PRO HDx A 13 PHE HBy 1.0 0.0 3.38 1015 808 A 14 PRO HDx A 13 PHE HBx 1.0 0.0 3.38 1016 809 A 14 PRO HDy A 13 PHE HBy 1.0 0.0 3.97 1017 809 A 14 PRO HDy A 13 PHE HBx 1.0 0.0 3.97 1018 810 A 13 PHE HE% A 30 VAL HGy% 1.0 0.0 3.53 1019 810 A 13 PHE HE% A 30 VAL HGx% 1.0 0.0 3.53 1020 811 A 13 PHE HE% A 33 ARG HDx 1.0 0.0 4.69 1021 811 A 13 PHE HE% A 33 ARG HDy 1.0 0.0 4.69 1022 812 A 13 PHE HZ A 30 VAL HGy% 1.0 0.0 3.45 1023 812 A 13 PHE HZ A 30 VAL HGx% 1.0 0.0 3.45 1024 813 A 13 PHE HZ A 33 ARG HDx 1.0 0.0 5.07 1025 813 A 13 PHE HZ A 33 ARG HDy 1.0 0.0 5.07 1026 814 A 15 VAL H A 14 PRO HBy 1.0 0.0 3.97 1027 814 A 15 VAL H A 14 PRO HBx 1.0 0.0 3.97 1028 815 A 15 VAL HGy% A 30 VAL HGy% 1.0 0.0 3.22 1029 815 A 15 VAL HGy% A 30 VAL HGx% 1.0 0.0 3.22 1030 816 A 16 GLU H A 16 GLU HBx 1.0 0.0 3.02 1031 816 A 16 GLU H A 16 GLU HBy 1.0 0.0 3.02 1032 817 A 17 VAL H A 16 GLU HBx 1.0 0.0 4.14 1033 817 A 17 VAL H A 16 GLU HBy 1.0 0.0 4.14 1034 818 A 18 ASP H A 18 ASP HBx 1.0 0.0 3.41 1035 818 A 18 ASP H A 18 ASP HBy 1.0 0.0 3.41 1036 819 A 20 ASP H A 18 ASP HBx 1.0 0.0 3.54 1037 819 A 20 ASP H A 18 ASP HBy 1.0 0.0 3.54 1038 820 A 21 THR H A 18 ASP HBx 1.0 0.0 4.43 1039 820 A 21 THR H A 18 ASP HBy 1.0 0.0 4.43 1040 821 A 21 THR HA A 18 ASP HBx 1.0 0.0 4.13 1041 821 A 21 THR HA A 18 ASP HBy 1.0 0.0 4.13 1042 822 A 19 SER HA A 57 GLN HBy 1.0 0.0 3.96 1043 822 A 19 SER HA A 57 GLN HBx 1.0 0.0 3.96 1044 823 A 19 SER HBy A 57 GLN HBy 1.0 0.0 3.61 1045 823 A 19 SER HBx A 57 GLN HBy 1.0 0.0 3.61 1046 823 A 57 GLN HBx A 19 SER HBx 1.0 0.0 3.61 1047 823 A 19 SER HBy A 57 GLN HBx 1.0 0.0 3.61 1048 824 A 21 THR HG2% A 25 GLN HGy 1.0 0.0 4.46 1049 824 A 21 THR HG2% A 25 GLN HGx 1.0 0.0 4.46 1050 825 A 21 THR HG2% A 26 LEU HDy% 1.0 0.0 3.05 1051 825 A 21 THR HG2% A 26 LEU HDx% 1.0 0.0 3.05 1052 826 A 22 SER H A 22 SER HBx 1.0 0.0 3.50 1053 826 A 22 SER H A 22 SER HBy 1.0 0.0 3.50 1054 827 A 22 SER H A 25 GLN HGy 1.0 0.0 3.85 1055 827 A 22 SER H A 25 GLN HGx 1.0 0.0 3.85 1056 828 A 23 ILE H A 22 SER HBx 1.0 0.0 3.77 1057 828 A 23 ILE H A 22 SER HBy 1.0 0.0 3.77 1058 829 A 24 PHE H A 22 SER HBx 1.0 0.0 4.27 1059 829 A 24 PHE H A 22 SER HBy 1.0 0.0 4.27 1060 830 A 23 ILE H A 23 ILE HG1x 1.0 0.0 3.36 1061 830 A 23 ILE H A 23 ILE HG1y 1.0 0.0 3.36 1062 831 A 23 ILE HA A 23 ILE HG1x 1.0 0.0 3.64 1063 831 A 23 ILE HA A 23 ILE HG1y 1.0 0.0 3.64 1064 832 A 23 ILE HA A 26 LEU HDy% 1.0 0.0 4.14 1065 832 A 23 ILE HA A 26 LEU HDx% 1.0 0.0 4.14 1066 833 A 23 ILE HB A 50 LEU HBx 1.0 0.0 4.79 1067 833 A 23 ILE HB A 50 LEU HBy 1.0 0.0 4.79 1068 834 A 23 ILE HG2% A 23 ILE HG1x 1.0 0.0 3.10 1069 834 A 23 ILE HG2% A 23 ILE HG1y 1.0 0.0 3.10 1070 835 A 23 ILE HG2% A 50 LEU HBx 1.0 0.0 3.49 1071 835 A 23 ILE HG2% A 50 LEU HBy 1.0 0.0 3.49 1072 836 A 23 ILE HG2% A 50 LEU HDy% 1.0 0.0 4.09 1073 836 A 23 ILE HG2% A 50 LEU HDx% 1.0 0.0 4.09 1074 837 A 23 ILE HG1x A 50 LEU HBx 1.0 0.0 3.91 1075 837 A 23 ILE HG1y A 50 LEU HBx 1.0 0.0 3.91 1076 837 A 50 LEU HBy A 23 ILE HG1x 1.0 0.0 3.91 1077 837 A 23 ILE HG1y A 50 LEU HBy 1.0 0.0 3.91 1078 838 A 23 ILE HG1y A 50 LEU HDy% 1.0 0.0 3.61 1079 838 A 23 ILE HG1x A 50 LEU HDy% 1.0 0.0 3.61 1080 838 A 50 LEU HDx% A 23 ILE HG1x 1.0 0.0 3.61 1081 838 A 23 ILE HG1y A 50 LEU HDx% 1.0 0.0 3.61 1082 839 A 51 ARG HGx A 23 ILE HG1x 1.0 0.0 4.02 1083 839 A 51 ARG HGx A 23 ILE HG1y 1.0 0.0 4.02 1084 840 A 56 VAL HA A 23 ILE HG1x 1.0 0.0 4.50 1085 840 A 56 VAL HA A 23 ILE HG1y 1.0 0.0 4.50 1086 841 A 56 VAL HB A 23 ILE HG1x 1.0 0.0 4.72 1087 841 A 56 VAL HB A 23 ILE HG1y 1.0 0.0 4.72 1088 842 A 23 ILE HD1% A 26 LEU HDy% 1.0 0.0 3.42 1089 842 A 23 ILE HD1% A 26 LEU HDx% 1.0 0.0 3.42 1090 843 A 23 ILE HD1% A 50 LEU HDy% 1.0 0.0 2.94 1091 843 A 23 ILE HD1% A 50 LEU HDx% 1.0 0.0 2.94 1092 844 A 23 ILE HD1% A 61 LEU HDy% 1.0 0.0 3.89 1093 844 A 23 ILE HD1% A 61 LEU HDx% 1.0 0.0 3.89 1094 845 A 24 PHE HA A 28 GLU HGx 1.0 0.0 5.31 1095 845 A 24 PHE HA A 28 GLU HGy 1.0 0.0 5.31 1096 846 A 25 GLN H A 24 PHE HBx 1.0 0.0 3.69 1097 846 A 25 GLN H A 24 PHE HBy 1.0 0.0 3.69 1098 847 A 52 ASN HA A 24 PHE HBx 1.0 0.0 4.25 1099 847 A 52 ASN HA A 24 PHE HBy 1.0 0.0 4.25 1100 848 A 24 PHE HBx A 52 ASN HBx 1.0 0.0 4.15 1101 848 A 24 PHE HBy A 52 ASN HBx 1.0 0.0 4.15 1102 848 A 52 ASN HBy A 24 PHE HBx 1.0 0.0 4.15 1103 848 A 52 ASN HBy A 24 PHE HBy 1.0 0.0 4.15 1104 849 A 24 PHE HD% A 25 GLN HGy 1.0 0.0 4.47 1105 849 A 24 PHE HD% A 25 GLN HGx 1.0 0.0 4.47 1106 850 A 25 GLN H A 25 GLN HGy 1.0 0.0 3.22 1107 850 A 25 GLN H A 25 GLN HGx 1.0 0.0 3.22 1108 851 A 25 GLN HA A 25 GLN HGy 1.0 0.0 3.16 1109 851 A 25 GLN HA A 25 GLN HGx 1.0 0.0 3.16 1110 852 A 25 GLN HA A 28 GLU HGx 1.0 0.0 5.34 1111 852 A 25 GLN HA A 28 GLU HGy 1.0 0.0 5.34 1112 853 A 26 LEU H A 25 GLN HGy 1.0 0.0 4.24 1113 853 A 26 LEU H A 25 GLN HGx 1.0 0.0 4.24 1114 854 A 26 LEU H A 26 LEU HDy% 1.0 0.0 4.20 1115 854 A 26 LEU H A 26 LEU HDx% 1.0 0.0 4.20 1116 855 A 26 LEU HA A 26 LEU HDy% 1.0 0.0 2.93 1117 855 A 26 LEU HA A 26 LEU HDx% 1.0 0.0 2.93 1118 856 A 29 VAL HGx% A 26 LEU HDy% 1.0 0.0 3.76 1119 856 A 29 VAL HGx% A 26 LEU HDx% 1.0 0.0 3.76 1120 857 A 30 VAL H A 26 LEU HDy% 1.0 0.0 4.67 1121 857 A 30 VAL H A 26 LEU HDx% 1.0 0.0 4.67 1122 858 A 27 LYS H A 27 LYS HGy 1.0 0.0 4.11 1123 858 A 27 LYS H A 27 LYS HGx 1.0 0.0 4.11 1124 859 A 27 LYS H A 27 LYS HDy 1.0 0.0 5.19 1125 859 A 27 LYS H A 27 LYS HDx 1.0 0.0 5.19 1126 860 A 27 LYS HA A 27 LYS HGy 1.0 0.0 3.27 1127 860 A 27 LYS HA A 27 LYS HGx 1.0 0.0 3.27 1128 861 A 27 LYS HA A 30 VAL HGy% 1.0 0.0 3.79 1129 861 A 27 LYS HA A 30 VAL HGx% 1.0 0.0 3.79 1130 862 A 31 ALA HB% A 27 LYS HGy 1.0 0.0 3.72 1131 862 A 31 ALA HB% A 27 LYS HGx 1.0 0.0 3.72 1132 863 A 38 ALA HB% A 27 LYS HGy 1.0 0.0 3.36 1133 863 A 38 ALA HB% A 27 LYS HGx 1.0 0.0 3.36 1134 864 A 41 LEU H A 27 LYS HGy 1.0 0.0 5.34 1135 864 A 41 LEU H A 27 LYS HGx 1.0 0.0 5.34 1136 865 A 41 LEU HBy A 27 LYS HGy 1.0 0.0 3.61 1137 865 A 41 LEU HBy A 27 LYS HGx 1.0 0.0 3.61 1138 866 A 41 LEU HG A 27 LYS HGy 1.0 0.0 3.94 1139 866 A 41 LEU HG A 27 LYS HGx 1.0 0.0 3.94 1140 867 A 41 LEU HBy A 27 LYS HDy 1.0 0.0 4.88 1141 867 A 41 LEU HBy A 27 LYS HDx 1.0 0.0 4.88 1142 868 A 41 LEU HG A 27 LYS HDy 1.0 0.0 4.67 1143 868 A 41 LEU HG A 27 LYS HDx 1.0 0.0 4.67 1144 869 A 28 GLU HA A 28 GLU HGx 1.0 0.0 3.16 1145 869 A 28 GLU HA A 28 GLU HGy 1.0 0.0 3.16 1146 870 A 31 ALA HB% A 28 GLU HGx 1.0 0.0 4.12 1147 870 A 31 ALA HB% A 28 GLU HGy 1.0 0.0 4.12 1148 871 A 38 ALA HB% A 28 GLU HGx 1.0 0.0 3.29 1149 871 A 38 ALA HB% A 28 GLU HGy 1.0 0.0 3.29 1150 872 A 29 VAL HB A 30 VAL HGy% 1.0 0.0 4.16 1151 872 A 29 VAL HB A 30 VAL HGx% 1.0 0.0 4.16 1152 873 A 30 VAL H A 30 VAL HGy% 1.0 0.0 3.01 1153 873 A 30 VAL H A 30 VAL HGx% 1.0 0.0 3.01 1154 874 A 30 VAL HGy% A 33 ARG HBx 1.0 0.0 4.06 1155 874 A 30 VAL HGx% A 33 ARG HBx 1.0 0.0 4.06 1156 874 A 33 ARG HBy A 30 VAL HGy% 1.0 0.0 4.06 1157 874 A 33 ARG HBy A 30 VAL HGx% 1.0 0.0 4.06 1158 875 A 30 VAL HGy% A 33 ARG HDx 1.0 0.0 4.16 1159 875 A 33 ARG HDy A 30 VAL HGy% 1.0 0.0 4.16 1160 875 A 30 VAL HGx% A 33 ARG HDy 1.0 0.0 4.16 1161 875 A 30 VAL HGx% A 33 ARG HDx 1.0 0.0 4.16 1162 876 A 69 ILE HD1% A 30 VAL HGy% 1.0 0.0 3.48 1163 876 A 69 ILE HD1% A 30 VAL HGx% 1.0 0.0 3.48 1164 877 A 32 LYS H A 32 LYS HGx 1.0 0.0 4.13 1165 877 A 32 LYS H A 32 LYS HGy 1.0 0.0 4.13 1166 878 A 33 ARG H A 32 LYS HGx 1.0 0.0 4.19 1167 878 A 33 ARG H A 32 LYS HGy 1.0 0.0 4.19 1168 879 A 33 ARG HA A 33 ARG HDx 1.0 0.0 4.45 1169 879 A 33 ARG HA A 33 ARG HDy 1.0 0.0 4.45 1170 880 A 33 ARG HBx A 33 ARG HDx 1.0 0.0 3.35 1171 880 A 33 ARG HBy A 33 ARG HDx 1.0 0.0 3.35 1172 880 A 33 ARG HDy A 33 ARG HBx 1.0 0.0 3.35 1173 880 A 33 ARG HBy A 33 ARG HDy 1.0 0.0 3.35 1174 881 A 33 ARG HBx A 34 GLN HGy 1.0 0.0 3.53 1175 881 A 33 ARG HBy A 34 GLN HGy 1.0 0.0 3.53 1176 881 A 34 GLN HGx A 33 ARG HBx 1.0 0.0 3.53 1177 881 A 33 ARG HBy A 34 GLN HGx 1.0 0.0 3.53 1178 882 A 33 ARG HDy A 34 GLN HGy 1.0 0.0 4.14 1179 882 A 33 ARG HDx A 34 GLN HGy 1.0 0.0 4.14 1180 882 A 34 GLN HGx A 33 ARG HDx 1.0 0.0 4.14 1181 882 A 33 ARG HDy A 34 GLN HGx 1.0 0.0 4.14 1182 883 A 34 GLN H A 34 GLN HBx 1.0 0.0 3.50 1183 883 A 34 GLN H A 34 GLN HBy 1.0 0.0 3.50 1184 884 A 34 GLN H A 34 GLN HGy 1.0 0.0 3.29 1185 884 A 34 GLN H A 34 GLN HGx 1.0 0.0 3.29 1186 885 A 34 GLN HA A 34 GLN HGy 1.0 0.0 3.56 1187 885 A 34 GLN HA A 34 GLN HGx 1.0 0.0 3.56 1188 886 A 34 GLN HA A 34 GLN HE2x 1.0 0.0 4.03 1189 886 A 34 GLN HA A 34 GLN HE2y 1.0 0.0 4.03 1190 887 A 36 VAL H A 34 GLN HBx 1.0 0.0 5.28 1191 887 A 36 VAL H A 34 GLN HBy 1.0 0.0 5.28 1192 888 A 36 VAL HGx% A 34 GLN HBx 1.0 0.0 3.54 1193 888 A 36 VAL HGx% A 34 GLN HBy 1.0 0.0 3.54 1194 889 A 36 VAL HGy% A 34 GLN HBx 1.0 0.0 3.31 1195 889 A 36 VAL HGy% A 34 GLN HBy 1.0 0.0 3.31 1196 890 A 36 VAL H A 37 PRO HDx 1.0 0.0 5.35 1197 890 A 36 VAL H A 37 PRO HDy 1.0 0.0 5.35 1198 891 A 36 VAL HA A 37 PRO HDx 1.0 0.0 2.76 1199 891 A 36 VAL HA A 37 PRO HDy 1.0 0.0 2.76 1200 892 A 36 VAL HB A 37 PRO HDx 1.0 0.0 3.04 1201 892 A 36 VAL HB A 37 PRO HDy 1.0 0.0 3.04 1202 893 A 36 VAL HB A 71 GLN HGx 1.0 0.0 4.39 1203 893 A 36 VAL HB A 71 GLN HGy 1.0 0.0 4.39 1204 894 A 36 VAL HB A 71 GLN HE2y 1.0 0.0 4.67 1205 894 A 36 VAL HB A 71 GLN HE2x 1.0 0.0 4.67 1206 895 A 36 VAL HGx% A 37 PRO HDx 1.0 0.0 3.68 1207 895 A 36 VAL HGx% A 37 PRO HDy 1.0 0.0 3.68 1208 896 A 36 VAL HGy% A 71 GLN HBx 1.0 0.0 4.57 1209 896 A 36 VAL HGy% A 71 GLN HBy 1.0 0.0 4.57 1210 897 A 36 VAL HGy% A 71 GLN HGx 1.0 0.0 4.55 1211 897 A 36 VAL HGy% A 71 GLN HGy 1.0 0.0 4.55 1212 898 A 37 PRO HBy A 39 ASP HBx 1.0 0.0 4.22 1213 898 A 37 PRO HBy A 39 ASP HBy 1.0 0.0 4.22 1214 899 A 71 GLN HE2x A 37 PRO HDx 1.0 0.0 4.09 1215 899 A 71 GLN HE2x A 37 PRO HDy 1.0 0.0 4.09 1216 899 A 71 GLN HE2y A 37 PRO HDy 1.0 0.0 4.09 1217 899 A 71 GLN HE2y A 37 PRO HDx 1.0 0.0 4.09 1218 900 A 39 ASP H A 39 ASP HBx 1.0 0.0 3.28 1219 900 A 39 ASP H A 39 ASP HBy 1.0 0.0 3.28 1220 901 A 40 GLN H A 40 GLN HBx 1.0 0.0 3.28 1221 901 A 40 GLN H A 40 GLN HBy 1.0 0.0 3.28 1222 902 A 40 GLN H A 40 GLN HGx 1.0 0.0 3.49 1223 902 A 40 GLN H A 40 GLN HGy 1.0 0.0 3.49 1224 903 A 40 GLN HA A 40 GLN HGx 1.0 0.0 3.72 1225 903 A 40 GLN HGy A 40 GLN HA 1.0 0.0 3.72 1226 904 A 41 LEU HDx% A 71 GLN HBx 1.0 0.0 4.25 1227 904 A 41 LEU HDx% A 71 GLN HBy 1.0 0.0 4.25 1228 905 A 41 LEU HDx% A 71 GLN HGx 1.0 0.0 4.20 1229 905 A 41 LEU HDx% A 71 GLN HGy 1.0 0.0 4.20 1230 906 A 42 ARG H A 42 ARG HDy 1.0 0.0 4.91 1231 906 A 42 ARG H A 42 ARG HDx 1.0 0.0 4.91 1232 907 A 42 ARG H A 70 VAL HGy% 1.0 0.0 4.62 1233 907 A 42 ARG H A 70 VAL HGx% 1.0 0.0 4.62 1234 908 A 42 ARG HA A 42 ARG HDy 1.0 0.0 3.96 1235 908 A 42 ARG HA A 42 ARG HDx 1.0 0.0 3.96 1236 909 A 42 ARG HA A 43 VAL HGy% 1.0 0.0 3.57 1237 909 A 42 ARG HA A 43 VAL HGx% 1.0 0.0 3.57 1238 910 A 42 ARG HBy A 42 ARG HDy 1.0 0.0 3.20 1239 910 A 42 ARG HBx A 42 ARG HDy 1.0 0.0 3.20 1240 910 A 42 ARG HDx A 42 ARG HBx 1.0 0.0 3.20 1241 910 A 42 ARG HBy A 42 ARG HDx 1.0 0.0 3.20 1242 911 A 42 ARG HBy A 70 VAL HGy% 1.0 0.0 3.79 1243 911 A 42 ARG HBx A 70 VAL HGy% 1.0 0.0 3.79 1244 911 A 70 VAL HGx% A 42 ARG HBx 1.0 0.0 3.79 1245 911 A 42 ARG HBy A 70 VAL HGx% 1.0 0.0 3.79 1246 912 A 43 VAL HA A 42 ARG HDy 1.0 0.0 4.42 1247 912 A 43 VAL HA A 42 ARG HDx 1.0 0.0 4.42 1248 913 A 44 ILE HD1% A 42 ARG HDy 1.0 0.0 3.78 1249 913 A 44 ILE HD1% A 42 ARG HDx 1.0 0.0 3.78 1250 914 A 42 ARG HDx A 70 VAL HGy% 1.0 0.0 4.88 1251 914 A 42 ARG HDy A 70 VAL HGy% 1.0 0.0 4.88 1252 914 A 70 VAL HGx% A 42 ARG HDy 1.0 0.0 4.88 1253 914 A 70 VAL HGx% A 42 ARG HDx 1.0 0.0 4.88 1254 915 A 43 VAL H A 43 VAL HGy% 1.0 0.0 3.40 1255 915 A 43 VAL H A 43 VAL HGx% 1.0 0.0 3.40 1256 916 A 43 VAL HA A 43 VAL HGy% 1.0 0.0 3.07 1257 916 A 43 VAL HA A 43 VAL HGx% 1.0 0.0 3.07 1258 917 A 44 ILE H A 43 VAL HGy% 1.0 0.0 3.94 1259 917 A 44 ILE H A 43 VAL HGx% 1.0 0.0 3.94 1260 918 A 69 ILE HA A 43 VAL HGy% 1.0 0.0 3.96 1261 918 A 69 ILE HA A 43 VAL HGx% 1.0 0.0 3.96 1262 919 A 43 VAL HGy% A 69 ILE HG1y 1.0 0.0 3.64 1263 919 A 43 VAL HGx% A 69 ILE HG1y 1.0 0.0 3.64 1264 919 A 69 ILE HG1x A 43 VAL HGy% 1.0 0.0 3.64 1265 919 A 43 VAL HGx% A 69 ILE HG1x 1.0 0.0 3.64 1266 920 A 44 ILE H A 44 ILE HG1x 1.0 0.0 4.37 1267 920 A 44 ILE H A 44 ILE HG1y 1.0 0.0 4.37 1268 921 A 44 ILE H A 68 HIS HBy 1.0 0.0 4.53 1269 921 A 44 ILE H A 68 HIS HBx 1.0 0.0 4.53 1270 922 A 44 ILE HA A 44 ILE HG1x 1.0 0.0 3.70 1271 922 A 44 ILE HA A 44 ILE HG1y 1.0 0.0 3.70 1272 923 A 44 ILE HB A 68 HIS HBy 1.0 0.0 3.29 1273 923 A 44 ILE HB A 68 HIS HBx 1.0 0.0 3.29 1274 924 A 44 ILE HG2% A 44 ILE HG1x 1.0 0.0 3.32 1275 924 A 44 ILE HG2% A 44 ILE HG1y 1.0 0.0 3.32 1276 925 A 44 ILE HG2% A 47 GLY HAx 1.0 0.0 3.59 1277 925 A 44 ILE HG2% A 47 GLY HAy 1.0 0.0 3.59 1278 926 A 44 ILE HG2% A 68 HIS HBy 1.0 0.0 4.27 1279 926 A 44 ILE HG2% A 68 HIS HBx 1.0 0.0 4.27 1280 927 A 44 ILE HD1% A 49 GLU HBx 1.0 0.0 4.70 1281 927 A 44 ILE HD1% A 49 GLU HBy 1.0 0.0 4.70 1282 928 A 45 PHE H A 50 LEU HDy% 1.0 0.0 4.14 1283 928 A 45 PHE H A 50 LEU HDx% 1.0 0.0 4.14 1284 929 A 45 PHE HA A 67 VAL HGy% 1.0 0.0 4.95 1285 929 A 45 PHE HA A 67 VAL HGx% 1.0 0.0 4.95 1286 930 A 45 PHE HD% A 50 LEU HDy% 1.0 0.0 3.23 1287 930 A 45 PHE HD% A 50 LEU HDx% 1.0 0.0 3.23 1288 931 A 45 PHE HD% A 61 LEU HDy% 1.0 0.0 4.34 1289 931 A 45 PHE HD% A 61 LEU HDx% 1.0 0.0 4.34 1290 932 A 45 PHE HD% A 67 VAL HGy% 1.0 0.0 3.65 1291 932 A 45 PHE HD% A 67 VAL HGx% 1.0 0.0 3.65 1292 933 A 45 PHE HE% A 64 GLN HBx 1.0 0.0 5.00 1293 933 A 45 PHE HE% A 64 GLN HBy 1.0 0.0 5.00 1294 934 A 45 PHE HZ A 64 GLN HBx 1.0 0.0 4.23 1295 934 A 45 PHE HZ A 64 GLN HBy 1.0 0.0 4.23 1296 935 A 45 PHE HZ A 64 GLN HGy 1.0 0.0 4.67 1297 935 A 45 PHE HZ A 64 GLN HGx 1.0 0.0 4.67 1298 936 A 46 ALA HA A 47 GLY HAx 1.0 0.0 4.51 1299 936 A 47 GLY HAy A 46 ALA HA 1.0 0.0 4.51 1300 937 A 48 LYS H A 48 LYS HBx 1.0 0.0 3.33 1301 937 A 48 LYS H A 48 LYS HBy 1.0 0.0 3.33 1302 938 A 48 LYS HGy A 50 LEU HDy% 1.0 0.0 4.04 1303 938 A 48 LYS HGx A 50 LEU HDy% 1.0 0.0 4.04 1304 938 A 50 LEU HDx% A 48 LYS HGx 1.0 0.0 4.04 1305 938 A 48 LYS HGy A 50 LEU HDx% 1.0 0.0 4.04 1306 939 A 50 LEU H A 49 GLU HBx 1.0 0.0 4.20 1307 939 A 50 LEU H A 49 GLU HBy 1.0 0.0 4.20 1308 940 A 50 LEU H A 50 LEU HDy% 1.0 0.0 4.05 1309 940 A 50 LEU H A 50 LEU HDx% 1.0 0.0 4.05 1310 941 A 50 LEU HA A 50 LEU HDy% 1.0 0.0 3.73 1311 941 A 50 LEU HA A 50 LEU HDx% 1.0 0.0 3.73 1312 942 A 50 LEU HA A 51 ARG HDx 1.0 0.0 4.76 1313 942 A 50 LEU HA A 51 ARG HDy 1.0 0.0 4.76 1314 943 A 51 ARG HGx A 50 LEU HBx 1.0 0.0 4.21 1315 943 A 51 ARG HGx A 50 LEU HBy 1.0 0.0 4.21 1316 944 A 50 LEU HBy A 51 ARG HDx 1.0 0.0 4.50 1317 944 A 51 ARG HDy A 50 LEU HBx 1.0 0.0 4.50 1318 944 A 50 LEU HBy A 51 ARG HDy 1.0 0.0 4.50 1319 944 A 50 LEU HBx A 51 ARG HDx 1.0 0.0 4.50 1320 945 A 51 ARG H A 50 LEU HDy% 1.0 0.0 4.17 1321 945 A 51 ARG H A 50 LEU HDx% 1.0 0.0 4.17 1322 946 A 50 LEU HDy% A 51 ARG HDx 1.0 0.0 4.18 1323 946 A 50 LEU HDx% A 51 ARG HDx 1.0 0.0 4.18 1324 946 A 51 ARG HDy A 50 LEU HDy% 1.0 0.0 4.18 1325 946 A 50 LEU HDx% A 51 ARG HDy 1.0 0.0 4.18 1326 947 A 50 LEU HDy% A 59 CYS HBx 1.0 0.0 4.19 1327 947 A 50 LEU HDx% A 59 CYS HBx 1.0 0.0 4.19 1328 947 A 59 CYS HBy A 50 LEU HDy% 1.0 0.0 4.19 1329 947 A 59 CYS HBy A 50 LEU HDx% 1.0 0.0 4.19 1330 948 A 50 LEU HDx% A 61 LEU HDy% 1.0 0.0 3.34 1331 948 A 50 LEU HDy% A 61 LEU HDy% 1.0 0.0 3.34 1332 948 A 61 LEU HDx% A 50 LEU HDy% 1.0 0.0 3.34 1333 948 A 61 LEU HDx% A 50 LEU HDx% 1.0 0.0 3.34 1334 949 A 51 ARG H A 51 ARG HBx 1.0 0.0 3.70 1335 949 A 51 ARG H A 51 ARG HBy 1.0 0.0 3.70 1336 950 A 53 ASP H A 51 ARG HBx 1.0 0.0 3.89 1337 950 A 53 ASP H A 51 ARG HBy 1.0 0.0 3.89 1338 951 A 53 ASP H A 53 ASP HBy 1.0 0.0 3.56 1339 951 A 53 ASP H A 53 ASP HBx 1.0 0.0 3.56 1340 952 A 53 ASP H A 54 TRP HBx 1.0 0.0 4.29 1341 952 A 53 ASP H A 54 TRP HBy 1.0 0.0 4.29 1342 953 A 54 TRP H A 53 ASP HBy 1.0 0.0 4.21 1343 953 A 54 TRP H A 53 ASP HBx 1.0 0.0 4.21 1344 954 A 54 TRP H A 54 TRP HBx 1.0 0.0 3.17 1345 954 A 54 TRP H A 54 TRP HBy 1.0 0.0 3.17 1346 955 A 54 TRP HE3 A 54 TRP HBx 1.0 0.0 3.65 1347 955 A 54 TRP HE3 A 54 TRP HBy 1.0 0.0 3.65 1348 956 A 55 THR H A 54 TRP HBx 1.0 0.0 3.63 1349 956 A 55 THR H A 54 TRP HBy 1.0 0.0 3.63 1350 957 A 55 THR H A 58 ASN HBx 1.0 0.0 4.71 1351 957 A 55 THR H A 58 ASN HBy 1.0 0.0 4.71 1352 958 A 55 THR HG2% A 58 ASN HBx 1.0 0.0 4.42 1353 958 A 55 THR HG2% A 58 ASN HBy 1.0 0.0 4.42 1354 959 A 56 VAL HA A 61 LEU HDy% 1.0 0.0 4.84 1355 959 A 56 VAL HA A 61 LEU HDx% 1.0 0.0 4.84 1356 960 A 56 VAL HGx% A 57 GLN HBy 1.0 0.0 4.18 1357 960 A 56 VAL HGx% A 57 GLN HBx 1.0 0.0 4.18 1358 961 A 56 VAL HGx% A 61 LEU HDy% 1.0 0.0 4.03 1359 961 A 56 VAL HGx% A 61 LEU HDx% 1.0 0.0 4.03 1360 962 A 56 VAL HGy% A 61 LEU HBy 1.0 0.0 3.39 1361 962 A 56 VAL HGy% A 61 LEU HBx 1.0 0.0 3.39 1362 963 A 56 VAL HGy% A 61 LEU HDy% 1.0 0.0 3.04 1363 963 A 56 VAL HGy% A 61 LEU HDx% 1.0 0.0 3.04 1364 964 A 57 GLN H A 57 GLN HBy 1.0 0.0 3.06 1365 964 A 57 GLN H A 57 GLN HBx 1.0 0.0 3.06 1366 965 A 58 ASN H A 57 GLN HBy 1.0 0.0 3.72 1367 965 A 58 ASN H A 57 GLN HBx 1.0 0.0 3.72 1368 966 A 58 ASN H A 58 ASN HBx 1.0 0.0 3.19 1369 966 A 58 ASN H A 58 ASN HBy 1.0 0.0 3.19 1370 967 A 59 CYS HBy A 61 LEU HBy 1.0 0.0 4.71 1371 967 A 59 CYS HBx A 61 LEU HBy 1.0 0.0 4.71 1372 967 A 61 LEU HBx A 59 CYS HBx 1.0 0.0 4.71 1373 967 A 59 CYS HBy A 61 LEU HBx 1.0 0.0 4.71 1374 968 A 59 CYS HBy A 61 LEU HDy% 1.0 0.0 3.59 1375 968 A 59 CYS HBx A 61 LEU HDy% 1.0 0.0 3.59 1376 968 A 61 LEU HDx% A 59 CYS HBx 1.0 0.0 3.59 1377 968 A 59 CYS HBy A 61 LEU HDx% 1.0 0.0 3.59 1378 969 A 60 ASP H A 60 ASP HBx 1.0 0.0 3.68 1379 969 A 60 ASP H A 60 ASP HBy 1.0 0.0 3.68 1380 970 A 63 GLN H A 60 ASP HBx 1.0 0.0 4.43 1381 970 A 63 GLN H A 60 ASP HBy 1.0 0.0 4.43 1382 971 A 61 LEU H A 61 LEU HBy 1.0 0.0 3.38 1383 971 A 61 LEU H A 61 LEU HBx 1.0 0.0 3.38 1384 972 A 61 LEU H A 61 LEU HDy% 1.0 0.0 4.17 1385 972 A 61 LEU H A 61 LEU HDx% 1.0 0.0 4.17 1386 973 A 61 LEU H A 67 VAL HGy% 1.0 0.0 5.44 1387 973 A 61 LEU H A 67 VAL HGx% 1.0 0.0 5.44 1388 974 A 61 LEU HA A 61 LEU HDy% 1.0 0.0 3.64 1389 974 A 61 LEU HA A 61 LEU HDx% 1.0 0.0 3.64 1390 975 A 61 LEU HG A 67 VAL HGy% 1.0 0.0 3.78 1391 975 A 61 LEU HG A 67 VAL HGx% 1.0 0.0 3.78 1392 976 A 61 LEU HDx% A 67 VAL HGy% 1.0 0.0 3.43 1393 976 A 61 LEU HDy% A 67 VAL HGy% 1.0 0.0 3.43 1394 976 A 67 VAL HGx% A 61 LEU HDy% 1.0 0.0 3.43 1395 976 A 61 LEU HDx% A 67 VAL HGx% 1.0 0.0 3.43 1396 977 A 62 ASP H A 62 ASP HBy 1.0 0.0 3.60 1397 977 A 62 ASP H A 62 ASP HBx 1.0 0.0 3.60 1398 978 A 63 GLN H A 63 GLN HBx 1.0 0.0 3.52 1399 978 A 63 GLN H A 63 GLN HBy 1.0 0.0 3.52 1400 979 A 63 GLN H A 63 GLN HGx 1.0 0.0 4.33 1401 979 A 63 GLN H A 63 GLN HGy 1.0 0.0 4.33 1402 980 A 63 GLN H A 64 GLN HBx 1.0 0.0 4.87 1403 980 A 63 GLN H A 64 GLN HBy 1.0 0.0 4.87 1404 981 A 63 GLN H A 64 GLN HGy 1.0 0.0 4.66 1405 981 A 63 GLN H A 64 GLN HGx 1.0 0.0 4.66 1406 982 A 63 GLN HA A 63 GLN HGx 1.0 0.0 3.45 1407 982 A 63 GLN HA A 63 GLN HGy 1.0 0.0 3.45 1408 983 A 63 GLN HA A 64 GLN HGy 1.0 0.0 5.21 1409 983 A 63 GLN HA A 64 GLN HGx 1.0 0.0 5.21 1410 984 A 63 GLN HBx A 64 GLN HGy 1.0 0.0 4.04 1411 984 A 63 GLN HBy A 64 GLN HGy 1.0 0.0 4.04 1412 984 A 64 GLN HGx A 63 GLN HBx 1.0 0.0 4.04 1413 984 A 64 GLN HGx A 63 GLN HBy 1.0 0.0 4.04 1414 985 A 64 GLN HA A 64 GLN HGy 1.0 0.0 3.61 1415 985 A 64 GLN HA A 64 GLN HGx 1.0 0.0 3.61 1416 986 A 67 VAL H A 67 VAL HGy% 1.0 0.0 3.39 1417 986 A 67 VAL H A 67 VAL HGx% 1.0 0.0 3.39 1418 987 A 68 HIS H A 67 VAL HGy% 1.0 0.0 3.71 1419 987 A 68 HIS H A 67 VAL HGx% 1.0 0.0 3.71 1420 988 A 68 HIS HD2 A 67 VAL HGy% 1.0 0.0 4.89 1421 988 A 68 HIS HD2 A 67 VAL HGx% 1.0 0.0 4.89 1422 989 A 69 ILE H A 68 HIS HBy 1.0 0.0 4.28 1423 989 A 69 ILE H A 68 HIS HBx 1.0 0.0 4.28 1424 990 A 69 ILE H A 70 VAL HGy% 1.0 0.0 5.28 1425 990 A 69 ILE H A 70 VAL HGx% 1.0 0.0 5.28 1426 991 A 69 ILE HA A 70 VAL HGy% 1.0 0.0 4.26 1427 991 A 69 ILE HA A 70 VAL HGx% 1.0 0.0 4.26 1428 992 A 70 VAL H A 69 ILE HG1y 1.0 0.0 4.67 1429 992 A 70 VAL H A 69 ILE HG1x 1.0 0.0 4.67 1430 993 A 70 VAL H A 70 VAL HGy% 1.0 0.0 3.65 1431 993 A 70 VAL H A 70 VAL HGx% 1.0 0.0 3.65 1432 994 A 71 GLN H A 70 VAL HGy% 1.0 0.0 4.35 1433 994 A 71 GLN H A 70 VAL HGx% 1.0 0.0 4.35 1434 995 A 71 GLN H A 71 GLN HGx 1.0 0.0 4.73 1435 995 A 71 GLN H A 71 GLN HGy 1.0 0.0 4.73 1436 996 A 71 GLN HBx A 73 PRO HDy 1.0 0.0 4.34 1437 996 A 71 GLN HBy A 73 PRO HDy 1.0 0.0 4.34 1438 996 A 73 PRO HDx A 71 GLN HBx 1.0 0.0 4.34 1439 996 A 71 GLN HBy A 73 PRO HDx 1.0 0.0 4.34 1440 997 A 71 GLN HE2y A 71 GLN HGy 1.0 0.0 3.16 1441 997 A 71 GLN HE2x A 71 GLN HGx 1.0 0.0 3.16 1442 997 A 71 GLN HE2x A 71 GLN HGy 1.0 0.0 3.16 1443 997 A 71 GLN HE2y A 71 GLN HGx 1.0 0.0 3.16 1444 998 A 72 ARG H A 71 GLN HGx 1.0 0.0 4.06 1445 998 A 72 ARG H A 71 GLN HGy 1.0 0.0 4.06 1446 999 A 71 GLN HGx A 73 PRO HGx 1.0 0.0 4.17 1447 999 A 71 GLN HGy A 73 PRO HGx 1.0 0.0 4.17 1448 999 A 73 PRO HGy A 71 GLN HGx 1.0 0.0 4.17 1449 999 A 73 PRO HGy A 71 GLN HGy 1.0 0.0 4.17 1450 1000 A 72 ARG HBx A 73 PRO HDy 1.0 0.0 4.33 1451 1000 A 72 ARG HBy A 73 PRO HDy 1.0 0.0 4.33 1452 1000 A 73 PRO HDx A 72 ARG HBx 1.0 0.0 4.33 1453 1000 A 73 PRO HDx A 72 ARG HBy 1.0 0.0 4.33 1454 1001 A 72 ARG HGx A 73 PRO HDy 1.0 0.0 4.95 1455 1001 A 72 ARG HGy A 73 PRO HDy 1.0 0.0 4.95 1456 1001 A 73 PRO HDx A 72 ARG HGx 1.0 0.0 4.95 1457 1001 A 72 ARG HGy A 73 PRO HDx 1.0 0.0 4.95 1458 1002 A 74 TRP H A 73 PRO HBy 1.0 0.0 3.98 1459 1002 A 74 TRP H A 73 PRO HBx 1.0 0.0 3.98 1460 1003 A 76 LYS HA A 73 PRO HBy 1.0 0.0 4.57 1461 1003 A 76 LYS HA A 73 PRO HBx 1.0 0.0 4.57 1462 1004 A 73 PRO HBx A 76 LYS HBx 1.0 0.0 3.25 1463 1004 A 73 PRO HBy A 76 LYS HBx 1.0 0.0 3.25 1464 1004 A 76 LYS HBy A 73 PRO HBy 1.0 0.0 3.25 1465 1004 A 73 PRO HBx A 76 LYS HBy 1.0 0.0 3.25 1466 1005 A 73 PRO HGy A 76 LYS HBx 1.0 0.0 3.78 1467 1005 A 73 PRO HGx A 76 LYS HBx 1.0 0.0 3.78 1468 1005 A 76 LYS HBy A 73 PRO HGx 1.0 0.0 3.78 1469 1005 A 73 PRO HGy A 76 LYS HBy 1.0 0.0 3.78 1470 1006 A 73 PRO HDx A 76 LYS HBx 1.0 0.0 4.54 1471 1006 A 73 PRO HDy A 76 LYS HBx 1.0 0.0 4.54 1472 1006 A 76 LYS HBy A 73 PRO HDy 1.0 0.0 4.54 1473 1006 A 73 PRO HDx A 76 LYS HBy 1.0 0.0 4.54 1474 1007 A 75 ARG HBx A 75 ARG HDx 1.0 0.0 3.52 1475 1007 A 75 ARG HBy A 75 ARG HDx 1.0 0.0 3.52 1476 1007 A 75 ARG HDy A 75 ARG HBx 1.0 0.0 3.52 1477 1007 A 75 ARG HBy A 75 ARG HDy 1.0 0.0 3.52 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 MET C A 2 ILE N A 2 ILE CA A 2 ILE C 1.0 -163.0 -51.0 PHI 2 2 A 2 ILE N A 2 ILE CA A 2 ILE C A 3 VAL N 1.0 111.0 175.0 PSI 3 3 A 2 ILE C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -142.5 -93.9 PHI 4 4 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 PHE N 1.0 101.9 172.1 PSI 5 5 A 3 VAL C A 4 PHE N A 4 PHE CA A 4 PHE C 1.0 -131.9 -66.7 PHI 6 6 A 4 PHE N A 4 PHE CA A 4 PHE C A 5 VAL N 1.0 108.0 148.0 PSI 7 7 A 4 PHE C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -162.9 -73.9 PHI 8 8 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 ARG N 1.0 115.3 193.5 PSI 9 9 A 5 VAL C A 6 ARG N A 6 ARG CA A 6 ARG C 1.0 -143.6 -103.6 PHI 10 10 A 6 ARG N A 6 ARG CA A 6 ARG C A 7 PHE N 1.0 96.8 157.0 PSI 11 11 A 6 ARG C A 7 PHE N A 7 PHE CA A 7 PHE C 1.0 -148.7 -81.9 PHI 12 12 A 7 PHE N A 7 PHE CA A 7 PHE C A 8 ASN N 1.0 110.4 150.4 PSI 13 13 A 12 GLY C A 13 PHE N A 13 PHE CA A 13 PHE C 1.0 -138.7 -76.1 PHI 14 14 A 13 PHE N A 13 PHE CA A 13 PHE C A 14 PRO N 1.0 66.8 197.4 PSI 15 15 A 14 PRO C A 15 VAL N A 15 VAL CA A 15 VAL C 1.0 -142.2 -64.6 PHI 16 16 A 15 VAL N A 15 VAL CA A 15 VAL C A 16 GLU N 1.0 111.5 179.9 PSI 17 17 A 15 VAL C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -150.3 -68.5 PHI 18 18 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 VAL N 1.0 89.9 190.5 PSI 19 19 A 41 LEU C A 42 ARG N A 42 ARG CA A 42 ARG C 1.0 -164.1 -84.3 PHI 20 20 A 42 ARG N A 42 ARG CA A 42 ARG C A 43 VAL N 1.0 101.7 175.3 PSI 21 21 A 42 ARG C A 43 VAL N A 43 VAL CA A 43 VAL C 1.0 -127.9 -71.3 PHI 22 22 A 43 VAL N A 43 VAL CA A 43 VAL C A 44 ILE N 1.0 107.0 147.0 PSI 23 23 A 43 VAL C A 44 ILE N A 44 ILE CA A 44 ILE C 1.0 -149.5 -71.1 PHI 24 24 A 44 ILE N A 44 ILE CA A 44 ILE C A 45 PHE N 1.0 102.2 157.4 PSI 25 25 A 44 ILE C A 45 PHE N A 45 PHE CA A 45 PHE C 1.0 -177.4 -65.2 PHI 26 26 A 45 PHE N A 45 PHE CA A 45 PHE C A 46 ALA N 1.0 107.6 195.6 PSI 27 27 A 66 ILE N A 66 ILE CA A 66 ILE C A 67 VAL N 1.0 96.5 169.9 PSI 28 28 A 66 ILE C A 67 VAL N A 67 VAL CA A 67 VAL C 1.0 -123.6 -81.8 PHI 29 29 A 67 VAL N A 67 VAL CA A 67 VAL C A 68 HIS N 1.0 104.5 144.5 PSI 30 30 A 67 VAL C A 68 HIS N A 68 HIS CA A 68 HIS C 1.0 -143.7 -58.1 PHI 31 31 A 68 HIS N A 68 HIS CA A 68 HIS C A 69 ILE N 1.0 108.9 158.9 PSI 32 32 A 68 HIS C A 69 ILE N A 69 ILE CA A 69 ILE C 1.0 -150.9 -67.5 PHI 33 33 A 69 ILE N A 69 ILE CA A 69 ILE C A 70 VAL N 1.0 119.4 159.4 PSI 34 34 A 69 ILE C A 70 VAL N A 70 VAL CA A 70 VAL C 1.0 -158.8 -88.4 PHI 35 35 A 70 VAL N A 70 VAL CA A 70 VAL C A 71 GLN N 1.0 136.4 179.8 PSI 36 36 A 70 VAL C A 71 GLN N A 71 GLN CA A 71 GLN C 1.0 -144.2 -96.2 PHI 37 37 A 71 GLN N A 71 GLN CA A 71 GLN C A 72 ARG N 1.0 92.3 158.1 PSI stop_ save_