data_nef_c30192_5tmx save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 30193 BMRB 30194 PDB 5TMX stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 SER middle . . 3 A 3 HIS middle . . 4 A 4 MET middle . . 5 A 5 ALA middle . . 6 A 6 SER middle . . 7 A 7 MET middle . . 8 A 8 LYS middle . . 9 A 9 ASN middle . . 10 A 10 ALA middle . . 11 A 11 LYS middle . . 12 A 12 GLN middle . . 13 A 13 GLU middle . . 14 A 14 HIS middle . . 15 A 15 PHE middle . . 16 A 16 GLU middle . . 17 A 17 LEU middle . . 18 A 18 ASP middle . true 19 A 19 GLN middle . . 20 A 20 GLU middle . . 21 A 21 TRP middle . . 22 A 22 VAL middle . . 23 A 23 GLU middle . . 24 A 24 LEU middle . . 25 A 25 MET middle . . 26 A 26 VAL middle . . 27 A 27 GLU middle . . 28 A 28 ALA middle . . 29 A 29 LYS middle . . 30 A 30 GLU middle . . 31 A 31 ALA middle . . 32 A 32 ASN middle . . 33 A 33 ILE middle . . 34 A 34 SER middle . . 35 A 35 PRO middle . false 36 A 36 GLU middle . . 37 A 37 GLU middle . . 38 A 38 ILE middle . . 39 A 39 ARG middle . . 40 A 40 LYS middle . . 41 A 41 TYR middle . . 42 A 42 LEU middle . . 43 A 43 LEU middle . . 44 A 44 LEU middle . . 45 A 45 ASN middle . . 46 A 46 LYS middle . . 47 A 47 LYS middle . . 48 A 48 SER middle . . 49 A 49 ALA middle . . 50 A 50 HIS middle . . 51 A 51 PRO middle . false 52 A 52 GLY middle . false 53 A 53 PRO middle . false 54 A 54 ALA middle . . 55 A 55 ALA middle . . 56 A 56 ARG middle . . 57 A 57 SER middle . . 58 A 58 HIS middle . . 59 A 59 THR middle . . 60 A 60 VAL middle . . 61 A 61 ASN middle . . 62 A 62 PRO middle . false 63 A 63 PHE end . . 64 B 1 GLY start . false 65 B 2 SER middle . . 66 B 3 HIS middle . . 67 B 4 MET middle . . 68 B 5 ALA middle . . 69 B 6 SER middle . . 70 B 7 MET middle . . 71 B 8 LYS middle . true 72 B 9 ASN middle . . 73 B 10 ALA middle . . 74 B 11 LYS middle . . 75 B 12 GLN middle . . 76 B 13 GLU middle . . 77 B 14 HIS middle . . 78 B 15 PHE middle . . 79 B 16 GLU middle . . 80 B 17 LEU middle . . 81 B 18 ASP middle . . 82 B 19 GLN middle . . 83 B 20 GLU middle . . 84 B 21 TRP middle . . 85 B 22 VAL middle . . 86 B 23 GLU middle . . 87 B 24 LEU middle . . 88 B 25 MET middle . . 89 B 26 VAL middle . . 90 B 27 GLU middle . . 91 B 28 ALA middle . . 92 B 29 LYS middle . . 93 B 30 GLU middle . . 94 B 31 ALA middle . . 95 B 32 ASN middle . . 96 B 33 ILE middle . . 97 B 34 SER middle . . 98 B 35 PRO middle . false 99 B 36 GLU middle . . 100 B 37 GLU middle . . 101 B 38 ILE middle . . 102 B 39 ARG middle . . 103 B 40 LYS middle . . 104 B 41 TYR middle . . 105 B 42 LEU middle . . 106 B 43 LEU middle . . 107 B 44 LEU middle . . 108 B 45 ASN middle . . 109 B 46 LYS middle . . 110 B 47 LYS middle . . 111 B 48 SER middle . . 112 B 49 ALA middle . . 113 B 50 HIS middle . . 114 B 51 PRO middle . false 115 B 52 GLY middle . false 116 B 53 PRO middle . false 117 B 54 ALA middle . . 118 B 55 ALA middle . . 119 B 56 ARG middle . . 120 B 57 SER middle . . 121 B 58 HIS middle . . 122 B 59 THR middle . . 123 B 60 VAL middle . . 124 B 61 ASN middle . . 125 B 62 PRO middle . false 126 B 63 PHE 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 3 HIS HA H 1 4.6600 0.04 A 3 HIS HB2 H 1 3.0680 0.04 A 3 HIS HB3 H 1 3.1200 0.04 A 3 HIS C C 13 175.3300 0.5 A 3 HIS CA C 13 55.8240 0.5 A 3 HIS CB C 13 29.3020 0.5 A 4 MET H H 1 8.3370 0.04 A 4 MET HA H 1 4.4180 0.04 A 4 MET HB2 H 1 1.9490 0.04 A 4 MET HB3 H 1 2.0400 0.04 A 4 MET HG2 H 1 2.5290 0.04 A 4 MET HG3 H 1 2.4660 0.04 A 4 MET C C 13 176.4960 0.5 A 4 MET CA C 13 55.1600 0.5 A 4 MET CB C 13 32.6810 0.5 A 4 MET CG C 13 31.4950 0.5 A 4 MET N N 15 121.6600 0.5 A 5 ALA H H 1 8.3690 0.04 A 5 ALA HA H 1 4.2510 0.04 A 5 ALA HB% H 1 1.3870 0.04 A 5 ALA C C 13 178.2160 0.5 A 5 ALA CA C 13 52.7110 0.5 A 5 ALA CB C 13 19.0680 0.5 A 5 ALA N N 15 125.1380 0.5 A 6 SER H H 1 8.1910 0.04 A 6 SER HA H 1 4.3750 0.04 A 6 SER HBx H 1 3.8070 0.04 A 6 SER HBy H 1 3.8070 0.04 A 6 SER C C 13 175.2080 0.5 A 6 SER CA C 13 58.2070 0.5 A 6 SER CB C 13 63.5310 0.5 A 6 SER N N 15 114.2180 0.5 A 7 MET H H 1 8.2760 0.04 A 7 MET HA H 1 4.4800 0.04 A 7 MET HB2 H 1 1.9890 0.04 A 7 MET HB3 H 1 2.1030 0.04 A 7 MET HG2 H 1 2.5800 0.04 A 7 MET HG3 H 1 2.5000 0.04 A 7 MET C C 13 176.7670 0.5 A 7 MET CA C 13 55.1600 0.5 A 7 MET CB C 13 32.4660 0.5 A 7 MET CG C 13 31.3270 0.5 A 7 MET N N 15 121.9750 0.5 A 8 LYS H H 1 8.2220 0.04 A 8 LYS HA H 1 4.2600 0.04 A 8 LYS HBx H 1 1.7550 0.04 A 8 LYS HBy H 1 1.7550 0.04 A 8 LYS HDx H 1 1.6600 0.04 A 8 LYS HDy H 1 1.6600 0.04 A 8 LYS HEx H 1 2.9700 0.04 A 8 LYS HEy H 1 2.9700 0.04 A 8 LYS HGx H 1 1.4380 0.04 A 8 LYS HGy H 1 1.4380 0.04 A 8 LYS C C 13 176.8520 0.5 A 8 LYS CA C 13 56.2440 0.5 A 8 LYS CB C 13 32.4100 0.5 A 8 LYS CD C 13 28.6060 0.5 A 8 LYS CE C 13 41.6190 0.5 A 8 LYS CG C 13 24.4210 0.5 A 8 LYS N N 15 121.7140 0.5 A 9 ASN H H 1 8.3470 0.04 A 9 ASN HA H 1 4.6750 0.04 A 9 ASN HB2 H 1 2.7980 0.04 A 9 ASN HB3 H 1 2.7200 0.04 A 9 ASN C C 13 175.3850 0.5 A 9 ASN CA C 13 52.9790 0.5 A 9 ASN CB C 13 38.6750 0.5 A 9 ASN N N 15 118.9650 0.5 A 10 ALA H H 1 8.1450 0.04 A 10 ALA HA H 1 4.2350 0.04 A 10 ALA HB% H 1 1.3800 0.04 A 10 ALA C C 13 178.2300 0.5 A 10 ALA CA C 13 52.8570 0.5 A 10 ALA CB C 13 18.3270 0.5 A 10 ALA N N 15 123.8450 0.5 A 11 LYS H H 1 8.2020 0.04 A 11 LYS HA H 1 4.2600 0.04 A 11 LYS HBx H 1 1.7550 0.04 A 11 LYS HBy H 1 1.7550 0.04 A 11 LYS HDx H 1 1.6600 0.04 A 11 LYS HDy H 1 1.6600 0.04 A 11 LYS HEx H 1 2.9700 0.04 A 11 LYS HEy H 1 2.9700 0.04 A 11 LYS HGx H 1 1.3770 0.04 A 11 LYS HGy H 1 1.3770 0.04 A 11 LYS C C 13 177.0280 0.5 A 11 LYS CA C 13 56.2440 0.5 A 11 LYS CB C 13 32.4100 0.5 A 11 LYS CD C 13 28.6060 0.5 A 11 LYS CE C 13 41.6190 0.5 A 11 LYS CG C 13 24.4200 0.5 A 11 LYS N N 15 119.5140 0.5 A 12 GLN H H 1 8.2330 0.04 A 12 GLN HA H 1 4.2570 0.04 A 12 GLN HB2 H 1 1.9650 0.04 A 12 GLN HB3 H 1 2.0460 0.04 A 12 GLN HGx H 1 2.3030 0.04 A 12 GLN HGy H 1 2.3030 0.04 A 12 GLN C C 13 176.2550 0.5 A 12 GLN CA C 13 55.4310 0.5 A 12 GLN CB C 13 28.8900 0.5 A 12 GLN CG C 13 33.3580 0.5 A 12 GLN N N 15 120.7840 0.5 A 13 GLU H H 1 8.3230 0.04 A 13 GLU HA H 1 4.1910 0.04 A 13 GLU HB2 H 1 1.8000 0.04 A 13 GLU HB3 H 1 1.8400 0.04 A 13 GLU HG2 H 1 2.0900 0.04 A 13 GLU HG3 H 1 2.1550 0.04 A 13 GLU C C 13 176.4130 0.5 A 13 GLU CA C 13 56.2440 0.5 A 13 GLU CB C 13 29.9730 0.5 A 13 GLU CG C 13 35.7960 0.5 A 13 GLU N N 15 121.5980 0.5 A 14 HIS H H 1 8.3200 0.04 A 14 HIS HA H 1 4.6550 0.04 A 14 HIS HB2 H 1 3.0710 0.04 A 14 HIS HB3 H 1 3.1210 0.04 A 14 HIS C C 13 174.5980 0.5 A 14 HIS CA C 13 55.1600 0.5 A 14 HIS CB C 13 29.4310 0.5 A 14 HIS N N 15 118.6230 0.5 A 15 PHE H H 1 8.2100 0.04 A 15 PHE HA H 1 4.5800 0.04 A 15 PHE HB2 H 1 2.9220 0.04 A 15 PHE HB3 H 1 3.0410 0.04 A 15 PHE HDx H 1 7.1900 0.04 A 15 PHE HDy H 1 7.1900 0.04 A 15 PHE HEx H 1 7.2810 0.04 A 15 PHE HEy H 1 7.2810 0.04 A 15 PHE C C 13 175.5130 0.5 A 15 PHE CA C 13 57.3270 0.5 A 15 PHE CB C 13 39.8640 0.5 A 15 PHE CD1 C 13 131.3800 0.5 A 15 PHE CD2 C 13 131.3800 0.5 A 15 PHE CE1 C 13 131.0940 0.5 A 15 PHE CE2 C 13 131.0940 0.5 A 15 PHE N N 15 121.6870 0.5 A 16 GLU H H 1 8.3830 0.04 A 16 GLU HA H 1 4.3230 0.04 A 16 GLU HB2 H 1 1.8830 0.04 A 16 GLU HB3 H 1 2.0080 0.04 A 16 GLU HGx H 1 2.2110 0.04 A 16 GLU HGy H 1 2.2110 0.04 A 16 GLU C C 13 176.2390 0.5 A 16 GLU CA C 13 55.7020 0.5 A 16 GLU CB C 13 30.2440 0.5 A 16 GLU CG C 13 35.6600 0.5 A 16 GLU N N 15 121.2400 0.5 A 17 LEU H H 1 8.1860 0.04 A 17 LEU HA H 1 4.3500 0.04 A 17 LEU HBx H 1 1.6250 0.04 A 17 LEU HBy H 1 1.6250 0.04 A 17 LEU HDx% H 1 0.9470 0.04 A 17 LEU HDy% H 1 0.8540 0.04 A 17 LEU HG H 1 1.6850 0.04 A 17 LEU C C 13 176.6570 0.5 A 17 LEU CA C 13 54.6190 0.5 A 17 LEU CB C 13 42.8430 0.5 A 17 LEU CD1 C 13 25.2810 0.5 A 17 LEU CD2 C 13 23.8110 0.5 A 17 LEU CG C 13 26.9940 0.5 A 17 LEU N N 15 122.3300 0.5 A 18 ASP H H 1 7.9350 0.04 A 18 ASP HA H 1 4.7090 0.04 A 18 ASP HB2 H 1 2.9300 0.04 A 18 ASP HB3 H 1 3.0100 0.04 A 18 ASP C C 13 177.4930 0.5 A 18 ASP CA C 13 54.0690 0.5 A 18 ASP CB C 13 41.5910 0.5 A 18 ASP N N 15 121.3790 0.5 A 19 GLN H H 1 8.6660 0.04 A 19 GLN HA H 1 3.9600 0.04 A 19 GLN HB2 H 1 2.0600 0.04 A 19 GLN HB3 H 1 2.2090 0.04 A 19 GLN HGx H 1 2.4250 0.04 A 19 GLN HGy H 1 2.4250 0.04 A 19 GLN C C 13 178.1710 0.5 A 19 GLN CA C 13 59.0500 0.5 A 19 GLN CB C 13 27.8600 0.5 A 19 GLN CG C 13 32.9520 0.5 A 19 GLN N N 15 121.6860 0.5 A 20 GLU H H 1 8.7100 0.04 A 20 GLU HA H 1 4.0240 0.04 A 20 GLU HB2 H 1 1.8740 0.04 A 20 GLU HB3 H 1 2.0150 0.04 A 20 GLU HG2 H 1 2.1050 0.04 A 20 GLU HG3 H 1 2.2200 0.04 A 20 GLU C C 13 180.1340 0.5 A 20 GLU CA C 13 58.9520 0.5 A 20 GLU CB C 13 29.0250 0.5 A 20 GLU CG C 13 36.2020 0.5 A 20 GLU N N 15 118.2610 0.5 A 21 TRP H H 1 7.8660 0.04 A 21 TRP HA H 1 4.2070 0.04 A 21 TRP HB2 H 1 3.4080 0.04 A 21 TRP HB3 H 1 3.3430 0.04 A 21 TRP HD1 H 1 7.5900 0.04 A 21 TRP HE3 H 1 7.7830 0.04 A 21 TRP HH2 H 1 6.8550 0.04 A 21 TRP HZ2 H 1 7.5130 0.04 A 21 TRP HZ3 H 1 6.9900 0.04 A 21 TRP C C 13 178.3420 0.5 A 21 TRP CA C 13 60.8480 0.5 A 21 TRP CB C 13 29.4310 0.5 A 21 TRP CD1 C 13 126.6650 0.5 A 21 TRP CE3 C 13 119.5220 0.5 A 21 TRP CH2 C 13 123.9510 0.5 A 21 TRP CZ2 C 13 114.0930 0.5 A 21 TRP CZ3 C 13 120.9510 0.5 A 21 TRP N N 15 119.3840 0.5 A 22 VAL H H 1 8.0310 0.04 A 22 VAL HA H 1 3.5100 0.04 A 22 VAL HB H 1 2.1400 0.04 A 22 VAL HGx% H 1 0.8300 0.04 A 22 VAL HGy% H 1 0.9600 0.04 A 22 VAL C C 13 178.0520 0.5 A 22 VAL CA C 13 66.8060 0.5 A 22 VAL CB C 13 31.4160 0.5 A 22 VAL CG1 C 13 21.0350 0.5 A 22 VAL CG2 C 13 22.9310 0.5 A 22 VAL N N 15 120.5590 0.5 A 23 GLU H H 1 7.9480 0.04 A 23 GLU HA H 1 3.8230 0.04 A 23 GLU HB2 H 1 1.9270 0.04 A 23 GLU HB3 H 1 1.9800 0.04 A 23 GLU HG2 H 1 2.2160 0.04 A 23 GLU HG3 H 1 2.4500 0.04 A 23 GLU C C 13 179.4100 0.5 A 23 GLU CA C 13 58.9520 0.5 A 23 GLU CB C 13 28.6190 0.5 A 23 GLU CG C 13 36.2020 0.5 A 23 GLU N N 15 116.5110 0.5 A 24 LEU H H 1 7.2980 0.04 A 24 LEU HA H 1 3.9430 0.04 A 24 LEU HB2 H 1 1.5210 0.04 A 24 LEU HB3 H 1 1.7170 0.04 A 24 LEU HDx% H 1 0.7300 0.04 A 24 LEU HDy% H 1 0.6270 0.04 A 24 LEU HG H 1 1.6050 0.04 A 24 LEU C C 13 177.5730 0.5 A 24 LEU CA C 13 57.4000 0.5 A 24 LEU CB C 13 41.6320 0.5 A 24 LEU CD1 C 13 24.9870 0.5 A 24 LEU CD2 C 13 23.8700 0.5 A 24 LEU CG C 13 26.6910 0.5 A 24 LEU N N 15 119.0370 0.5 A 25 MET H H 1 7.9520 0.04 A 25 MET HA H 1 3.0560 0.04 A 25 MET HB2 H 1 1.6580 0.04 A 25 MET HB3 H 1 1.8400 0.04 A 25 MET HGx H 1 1.9360 0.04 A 25 MET HGy H 1 1.9360 0.04 A 25 MET C C 13 178.3130 0.5 A 25 MET CA C 13 58.4100 0.5 A 25 MET CB C 13 31.4630 0.5 A 25 MET CG C 13 32.2040 0.5 A 25 MET N N 15 118.6090 0.5 A 26 VAL H H 1 8.0270 0.04 A 26 VAL HA H 1 3.3100 0.04 A 26 VAL HB H 1 2.0100 0.04 A 26 VAL HGx% H 1 0.8070 0.04 A 26 VAL HGy% H 1 0.8680 0.04 A 26 VAL C C 13 179.0300 0.5 A 26 VAL CA C 13 66.5350 0.5 A 26 VAL CB C 13 31.4160 0.5 A 26 VAL CG1 C 13 20.7650 0.5 A 26 VAL CG2 C 13 22.3900 0.5 A 26 VAL N N 15 118.6950 0.5 A 27 GLU H H 1 7.8310 0.04 A 27 GLU HA H 1 3.9210 0.04 A 27 GLU HB2 H 1 1.9700 0.04 A 27 GLU HB3 H 1 2.0900 0.04 A 27 GLU HG2 H 1 2.1200 0.04 A 27 GLU HG3 H 1 2.3900 0.04 A 27 GLU C C 13 180.1480 0.5 A 27 GLU CA C 13 59.1020 0.5 A 27 GLU CB C 13 29.4310 0.5 A 27 GLU CG C 13 36.2020 0.5 A 27 GLU N N 15 119.8240 0.5 A 28 ALA H H 1 8.8000 0.04 A 28 ALA HA H 1 3.9550 0.04 A 28 ALA HB% H 1 1.5720 0.04 A 28 ALA C C 13 179.7140 0.5 A 28 ALA CA C 13 55.3040 0.5 A 28 ALA CB C 13 17.7850 0.5 A 28 ALA N N 15 122.6940 0.5 A 29 LYS H H 1 8.2350 0.04 A 29 LYS HA H 1 4.1350 0.04 A 29 LYS HB2 H 1 1.6500 0.04 A 29 LYS HB3 H 1 1.7900 0.04 A 29 LYS HD2 H 1 1.4870 0.04 A 29 LYS HD3 H 1 1.5100 0.04 A 29 LYS HEx H 1 2.8930 0.04 A 29 LYS HEy H 1 2.8930 0.04 A 29 LYS HG2 H 1 1.3850 0.04 A 29 LYS HG3 H 1 1.4800 0.04 A 29 LYS C C 13 182.0330 0.5 A 29 LYS CA C 13 59.5040 0.5 A 29 LYS CB C 13 32.0450 0.5 A 29 LYS CD C 13 29.3750 0.5 A 29 LYS CE C 13 41.6200 0.5 A 29 LYS CG C 13 25.3500 0.5 A 29 LYS N N 15 118.5080 0.5 A 30 GLU H H 1 8.1250 0.04 A 30 GLU HA H 1 4.0370 0.04 A 30 GLU HB2 H 1 2.0740 0.04 A 30 GLU HB3 H 1 2.0990 0.04 A 30 GLU HG2 H 1 2.2700 0.04 A 30 GLU HG3 H 1 2.4400 0.04 A 30 GLU C C 13 177.7500 0.5 A 30 GLU CA C 13 58.5460 0.5 A 30 GLU CB C 13 29.1600 0.5 A 30 GLU CG C 13 36.2020 0.5 A 30 GLU N N 15 120.2670 0.5 A 31 ALA H H 1 7.5270 0.04 A 31 ALA HA H 1 4.4000 0.04 A 31 ALA HB% H 1 1.4950 0.04 A 31 ALA C C 13 176.4740 0.5 A 31 ALA CA C 13 51.3690 0.5 A 31 ALA CB C 13 18.5980 0.5 A 31 ALA N N 15 119.4560 0.5 A 32 ASN H H 1 8.0060 0.04 A 32 ASN HA H 1 4.3590 0.04 A 32 ASN HB2 H 1 3.1580 0.04 A 32 ASN HB3 H 1 2.7930 0.04 A 32 ASN C C 13 174.5890 0.5 A 32 ASN CA C 13 54.1850 0.5 A 32 ASN CB C 13 37.0090 0.5 A 32 ASN N N 15 114.5440 0.5 A 33 ILE H H 1 8.1610 0.04 A 33 ILE HA H 1 4.3100 0.04 A 33 ILE HB H 1 1.7700 0.04 A 33 ILE HD1% H 1 0.8300 0.04 A 33 ILE HG12 H 1 1.2440 0.04 A 33 ILE HG13 H 1 1.5470 0.04 A 33 ILE HG2% H 1 1.0210 0.04 A 33 ILE C C 13 175.8000 0.5 A 33 ILE CA C 13 60.0350 0.5 A 33 ILE CB C 13 38.6400 0.5 A 33 ILE CD1 C 13 12.8770 0.5 A 33 ILE CG1 C 13 27.2650 0.5 A 33 ILE CG2 C 13 17.5150 0.5 A 33 ILE N N 15 119.7730 0.5 A 34 SER H H 1 8.6780 0.04 A 34 SER HA H 1 4.9500 0.04 A 34 SER HB2 H 1 4.0090 0.04 A 34 SER HB3 H 1 4.3140 0.04 A 34 SER C C 13 174.4340 0.5 A 34 SER CA C 13 55.4310 0.5 A 34 SER CB C 13 63.8270 0.5 A 34 SER N N 15 123.3040 0.5 A 35 PRO HA H 1 3.5830 0.04 A 35 PRO HB2 H 1 1.2070 0.04 A 35 PRO HB3 H 1 1.5550 0.04 A 35 PRO HD2 H 1 3.8360 0.04 A 35 PRO HD3 H 1 3.7500 0.04 A 35 PRO HG2 H 1 0.4800 0.04 A 35 PRO HG3 H 1 1.5270 0.04 A 35 PRO C C 13 178.2250 0.5 A 35 PRO CA C 13 65.0860 0.5 A 35 PRO CB C 13 30.7850 0.5 A 35 PRO CD C 13 50.0580 0.5 A 35 PRO CG C 13 26.0880 0.5 A 36 GLU H H 1 8.1500 0.04 A 36 GLU HA H 1 3.9130 0.04 A 36 GLU HB2 H 1 1.8850 0.04 A 36 GLU HB3 H 1 2.0140 0.04 A 36 GLU HGx H 1 2.2430 0.04 A 36 GLU HGy H 1 2.2430 0.04 A 36 GLU C C 13 179.1900 0.5 A 36 GLU CA C 13 58.9520 0.5 A 36 GLU CB C 13 28.8900 0.5 A 36 GLU CG C 13 35.6600 0.5 A 36 GLU N N 15 115.9960 0.5 A 37 GLU H H 1 7.7340 0.04 A 37 GLU HA H 1 4.0240 0.04 A 37 GLU HB2 H 1 2.1700 0.04 A 37 GLU HB3 H 1 2.3280 0.04 A 37 GLU HGx H 1 2.3800 0.04 A 37 GLU HGy H 1 2.3800 0.04 A 37 GLU C C 13 179.7160 0.5 A 37 GLU CA C 13 58.8170 0.5 A 37 GLU CB C 13 29.1600 0.5 A 37 GLU CG C 13 36.6080 0.5 A 37 GLU N N 15 119.3920 0.5 A 38 ILE H H 1 7.3580 0.04 A 38 ILE HA H 1 3.5130 0.04 A 38 ILE HB H 1 1.9500 0.04 A 38 ILE HD1% H 1 0.8760 0.04 A 38 ILE HG12 H 1 0.9390 0.04 A 38 ILE HG13 H 1 1.7530 0.04 A 38 ILE HG2% H 1 0.9090 0.04 A 38 ILE C C 13 177.8930 0.5 A 38 ILE CA C 13 64.3690 0.5 A 38 ILE CB C 13 36.4730 0.5 A 38 ILE CD1 C 13 13.2500 0.5 A 38 ILE CG1 C 13 28.8600 0.5 A 38 ILE CG2 C 13 18.0600 0.5 A 38 ILE N N 15 119.1570 0.5 A 39 ARG H H 1 8.5020 0.04 A 39 ARG HA H 1 3.6330 0.04 A 39 ARG HBx H 1 1.7830 0.04 A 39 ARG HBy H 1 1.7830 0.04 A 39 ARG HD2 H 1 3.1040 0.04 A 39 ARG HD3 H 1 3.1740 0.04 A 39 ARG HG2 H 1 1.4130 0.04 A 39 ARG HG3 H 1 1.5980 0.04 A 39 ARG C C 13 178.5920 0.5 A 39 ARG CA C 13 60.3060 0.5 A 39 ARG CB C 13 29.8180 0.5 A 39 ARG CD C 13 42.4310 0.5 A 39 ARG CG C 13 29.0420 0.5 A 39 ARG N N 15 120.0860 0.5 A 40 LYS H H 1 7.7250 0.04 A 40 LYS HA H 1 3.9090 0.04 A 40 LYS HBx H 1 1.8490 0.04 A 40 LYS HBy H 1 1.8490 0.04 A 40 LYS HDx H 1 1.6600 0.04 A 40 LYS HDy H 1 1.6600 0.04 A 40 LYS HEx H 1 2.9190 0.04 A 40 LYS HEy H 1 2.9190 0.04 A 40 LYS HG2 H 1 1.3320 0.04 A 40 LYS HG3 H 1 1.5500 0.04 A 40 LYS C C 13 179.0650 0.5 A 40 LYS CA C 13 59.5380 0.5 A 40 LYS CB C 13 31.8690 0.5 A 40 LYS CD C 13 28.9830 0.5 A 40 LYS CE C 13 41.6380 0.5 A 40 LYS CG C 13 24.8690 0.5 A 40 LYS N N 15 117.1480 0.5 A 41 TYR H H 1 7.3940 0.04 A 41 TYR HA H 1 4.0550 0.04 A 41 TYR HB2 H 1 2.7520 0.04 A 41 TYR HB3 H 1 2.8670 0.04 A 41 TYR HDx H 1 6.6750 0.04 A 41 TYR HDy H 1 6.6750 0.04 A 41 TYR HEx H 1 6.6550 0.04 A 41 TYR HEy H 1 6.6550 0.04 A 41 TYR C C 13 178.0530 0.5 A 41 TYR CA C 13 60.5770 0.5 A 41 TYR CB C 13 37.8270 0.5 A 41 TYR CD1 C 13 132.5220 0.5 A 41 TYR CD2 C 13 132.5220 0.5 A 41 TYR CE1 C 13 117.5220 0.5 A 41 TYR CE2 C 13 117.5220 0.5 A 41 TYR N N 15 118.8480 0.5 A 42 LEU H H 1 8.0390 0.04 A 42 LEU HA H 1 3.8300 0.04 A 42 LEU HB2 H 1 1.3920 0.04 A 42 LEU HB3 H 1 1.8280 0.04 A 42 LEU HDx% H 1 0.8330 0.04 A 42 LEU HDy% H 1 0.8310 0.04 A 42 LEU HG H 1 1.9510 0.04 A 42 LEU C C 13 178.2380 0.5 A 42 LEU CA C 13 56.5150 0.5 A 42 LEU CB C 13 41.3840 0.5 A 42 LEU CD1 C 13 22.6350 0.5 A 42 LEU CD2 C 13 25.6400 0.5 A 42 LEU CG C 13 26.1810 0.5 A 42 LEU N N 15 117.4130 0.5 A 43 LEU H H 1 7.7560 0.04 A 43 LEU HA H 1 4.0030 0.04 A 43 LEU HB2 H 1 1.5800 0.04 A 43 LEU HB3 H 1 1.8060 0.04 A 43 LEU HDx% H 1 0.8300 0.04 A 43 LEU HDy% H 1 0.8440 0.04 A 43 LEU HG H 1 1.6010 0.04 A 43 LEU C C 13 179.0350 0.5 A 43 LEU CA C 13 56.5150 0.5 A 43 LEU CB C 13 40.8060 0.5 A 43 LEU CD1 C 13 23.2240 0.5 A 43 LEU CD2 C 13 24.5560 0.5 A 43 LEU CG C 13 26.7230 0.5 A 43 LEU N N 15 117.0280 0.5 A 44 LEU H H 1 7.5840 0.04 A 44 LEU HA H 1 4.1620 0.04 A 44 LEU HB2 H 1 1.5100 0.04 A 44 LEU HB3 H 1 1.5540 0.04 A 44 LEU HDx% H 1 0.8300 0.04 A 44 LEU HDy% H 1 0.8060 0.04 A 44 LEU HG H 1 1.6150 0.04 A 44 LEU C C 13 178.3350 0.5 A 44 LEU CA C 13 55.9460 0.5 A 44 LEU CB C 13 41.8900 0.5 A 44 LEU CD1 C 13 24.5560 0.5 A 44 LEU CD2 C 13 22.9430 0.5 A 44 LEU CG C 13 26.4290 0.5 A 44 LEU N N 15 118.3640 0.5 A 45 ASN H H 1 7.7450 0.04 A 45 ASN HA H 1 4.5650 0.04 A 45 ASN HB2 H 1 2.3060 0.04 A 45 ASN HB3 H 1 2.6130 0.04 A 45 ASN C C 13 175.3510 0.5 A 45 ASN CA C 13 53.5350 0.5 A 45 ASN CB C 13 38.9100 0.5 A 45 ASN N N 15 116.7520 0.5 A 46 LYS H H 1 7.7530 0.04 A 46 LYS HA H 1 4.2200 0.04 A 46 LYS HBx H 1 1.7760 0.04 A 46 LYS HBy H 1 1.7760 0.04 A 46 LYS HDx H 1 1.6560 0.04 A 46 LYS HDy H 1 1.6560 0.04 A 46 LYS HEx H 1 2.9400 0.04 A 46 LYS HEy H 1 2.9400 0.04 A 46 LYS HGx H 1 1.4330 0.04 A 46 LYS HGy H 1 1.4330 0.04 A 46 LYS C C 13 177.2170 0.5 A 46 LYS CA C 13 56.6500 0.5 A 46 LYS CB C 13 32.1400 0.5 A 46 LYS CD C 13 28.8900 0.5 A 46 LYS CE C 13 41.6380 0.5 A 46 LYS CG C 13 24.2850 0.5 A 46 LYS N N 15 120.4830 0.5 A 47 LYS H H 1 8.2810 0.04 A 47 LYS HA H 1 4.3400 0.04 A 47 LYS HBx H 1 1.8390 0.04 A 47 LYS HBy H 1 1.8390 0.04 A 47 LYS HDx H 1 1.6900 0.04 A 47 LYS HDy H 1 1.6900 0.04 A 47 LYS HEx H 1 2.9950 0.04 A 47 LYS HEy H 1 2.9950 0.04 A 47 LYS HGx H 1 1.4970 0.04 A 47 LYS HGy H 1 1.4970 0.04 A 47 LYS C C 13 177.2300 0.5 A 47 LYS CA C 13 55.9730 0.5 A 47 LYS CB C 13 32.8530 0.5 A 47 LYS CD C 13 28.6890 0.5 A 47 LYS CE C 13 41.6190 0.5 A 47 LYS CG C 13 24.3300 0.5 A 47 LYS N N 15 122.0010 0.5 A 48 SER H H 1 8.1300 0.04 A 48 SER HA H 1 4.4200 0.04 A 48 SER HB2 H 1 3.8450 0.04 A 48 SER HB3 H 1 3.8870 0.04 A 48 SER C C 13 174.5210 0.5 A 48 SER CA C 13 57.8690 0.5 A 48 SER CB C 13 63.7290 0.5 A 48 SER N N 15 115.9020 0.5 A 49 ALA H H 1 8.1900 0.04 A 49 ALA HA H 1 4.2770 0.04 A 49 ALA HB% H 1 1.3120 0.04 A 49 ALA C C 13 177.5370 0.5 A 49 ALA CA C 13 52.1810 0.5 A 49 ALA CB C 13 19.0430 0.5 A 49 ALA N N 15 125.1230 0.5 A 50 HIS H H 1 8.2770 0.04 A 50 HIS HA H 1 4.1420 0.04 A 50 HIS HB2 H 1 2.8500 0.04 A 50 HIS HB3 H 1 3.1150 0.04 A 50 HIS C C 13 173.1260 0.5 A 50 HIS CA C 13 54.6190 0.5 A 50 HIS CB C 13 31.4630 0.5 A 50 HIS N N 15 118.0680 0.5 A 51 PRO HA H 1 4.4080 0.04 A 51 PRO HB2 H 1 1.9390 0.04 A 51 PRO HB3 H 1 2.2800 0.04 A 51 PRO HDx H 1 3.6360 0.04 A 51 PRO HDy H 1 3.6360 0.04 A 51 PRO HGx H 1 2.0120 0.04 A 51 PRO HGy H 1 2.0120 0.04 A 51 PRO C C 13 177.6360 0.5 A 51 PRO CA C 13 62.8790 0.5 A 51 PRO CB C 13 31.8690 0.5 A 51 PRO CD C 13 49.4730 0.5 A 51 PRO CG C 13 26.7780 0.5 A 52 GLY H H 1 8.3650 0.04 A 52 GLY HA2 H 1 4.0650 0.04 A 52 GLY HA3 H 1 4.1580 0.04 A 52 GLY C C 13 172.2210 0.5 A 52 GLY CA C 13 44.0560 0.5 A 52 GLY N N 15 109.3620 0.5 A 53 PRO HA H 1 4.6100 0.04 A 53 PRO HB2 H 1 2.1380 0.04 A 53 PRO HB3 H 1 2.3930 0.04 A 53 PRO HD2 H 1 3.5070 0.04 A 53 PRO HD3 H 1 3.6820 0.04 A 53 PRO HG2 H 1 1.8450 0.04 A 53 PRO HG3 H 1 1.9380 0.04 A 53 PRO C C 13 176.7000 0.5 A 53 PRO CA C 13 61.9310 0.5 A 53 PRO CB C 13 34.3060 0.5 A 53 PRO CD C 13 50.0150 0.5 A 53 PRO CG C 13 24.2850 0.5 A 54 ALA H H 1 8.3450 0.04 A 54 ALA HA H 1 4.2690 0.04 A 54 ALA HB% H 1 1.3520 0.04 A 54 ALA C C 13 177.3720 0.5 A 54 ALA CA C 13 51.9710 0.5 A 54 ALA CB C 13 18.9240 0.5 A 54 ALA N N 15 123.8720 0.5 A 55 ALA H H 1 8.1820 0.04 A 55 ALA HA H 1 4.2490 0.04 A 55 ALA HB% H 1 1.3370 0.04 A 55 ALA C C 13 177.0960 0.5 A 55 ALA CA C 13 52.5930 0.5 A 55 ALA CB C 13 19.0790 0.5 A 55 ALA N N 15 123.7270 0.5 A 56 ARG H H 1 7.8420 0.04 A 56 ARG HA H 1 4.1130 0.04 A 56 ARG HBx H 1 1.7900 0.04 A 56 ARG HBy H 1 1.7900 0.04 A 56 ARG HDx H 1 3.1410 0.04 A 56 ARG HDy H 1 3.1410 0.04 A 56 ARG HG2 H 1 1.6490 0.04 A 56 ARG HG3 H 1 1.5440 0.04 A 56 ARG C C 13 181.4140 0.5 A 56 ARG CA C 13 56.7850 0.5 A 56 ARG CB C 13 31.4120 0.5 A 56 ARG CD C 13 42.9730 0.5 A 56 ARG CG C 13 26.7230 0.5 A 56 ARG N N 15 125.1040 0.5 A 57 SER HA H 1 3.7150 0.04 A 57 SER HB2 H 1 3.6880 0.04 A 57 SER HB3 H 1 4.0380 0.04 A 57 SER CA C 13 64.3690 0.5 A 57 SER CB C 13 63.5560 0.5 A 58 HIS HA H 1 4.7000 0.04 A 58 HIS HB2 H 1 3.0110 0.04 A 58 HIS HB3 H 1 3.0600 0.04 A 58 HIS CA C 13 53.2650 0.5 A 58 HIS CB C 13 31.0560 0.5 A 59 THR HB H 1 3.8310 0.04 A 59 THR CB C 13 67.6410 0.5 A 62 PRO HA H 1 4.4730 0.04 A 62 PRO HB2 H 1 1.9960 0.04 A 62 PRO HB3 H 1 2.2770 0.04 A 62 PRO HD2 H 1 3.5170 0.04 A 62 PRO HD3 H 1 3.6850 0.04 A 62 PRO HGx H 1 1.9860 0.04 A 62 PRO HGy H 1 1.9860 0.04 A 62 PRO C C 13 175.8800 0.5 A 62 PRO CA C 13 63.2850 0.5 A 62 PRO CB C 13 31.8690 0.5 A 62 PRO CD C 13 50.2850 0.5 A 62 PRO CG C 13 26.7230 0.5 A 63 PHE H H 1 7.4540 0.04 A 63 PHE HA H 1 4.5870 0.04 A 63 PHE HB2 H 1 2.9250 0.04 A 63 PHE HB3 H 1 3.0400 0.04 A 63 PHE CA C 13 58.9520 0.5 A 63 PHE CB C 13 39.7230 0.5 A 63 PHE N N 15 123.5910 0.5 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 4 MET H A 4 MET HB2 1.0 . 3.20 2 1 A 4 MET H A 4 MET HB3 1.0 . 3.20 3 2 A 5 ALA H A 4 MET HB2 1.0 . 4.32 4 2 A 4 MET HB3 A 5 ALA H 1.0 . 4.32 5 3 A 5 ALA H A 5 ALA HB% 1.0 . 3.90 6 4 A 5 ALA H A 6 SER H 1.0 . 5.50 7 5 A 5 ALA HB% A 6 SER H 1.0 . 4.30 8 6 A 6 SER HA A 7 MET H 1.0 . 3.43 9 7 A 7 MET H A 6 SER HBx 1.0 . 5.50 10 7 A 7 MET H A 6 SER HBy 1.0 . 5.50 11 8 A 7 MET H A 7 MET HB2 1.0 . 3.29 12 8 A 7 MET H A 7 MET HB3 1.0 . 3.29 13 9 A 7 MET H A 7 MET HG2 1.0 . 4.56 14 9 A 7 MET H A 7 MET HG3 1.0 . 4.56 15 10 A 8 LYS HA A 8 LYS HDx 1.0 . 4.49 16 10 A 8 LYS HA A 8 LYS HDy 1.0 . 4.49 17 11 A 8 LYS HA A 8 LYS HGx 1.0 . 3.90 18 11 A 8 LYS HA A 8 LYS HGy 1.0 . 3.90 19 12 A 8 LYS H A 8 LYS HBx 1.0 . 3.86 20 12 A 8 LYS H A 8 LYS HBy 1.0 . 3.86 21 13 A 9 ASN H A 8 LYS HBx 1.0 . 3.98 22 13 A 8 LYS HBy A 9 ASN H 1.0 . 3.98 23 14 A 8 LYS HDy A 8 LYS HGx 1.0 . 2.58 24 14 A 8 LYS HGy A 8 LYS HDx 1.0 . 2.58 25 14 A 8 LYS HDy A 8 LYS HGy 1.0 . 2.58 26 14 A 8 LYS HDx A 8 LYS HGx 1.0 . 2.58 27 15 A 8 LYS HEy A 8 LYS HGx 1.0 . 3.77 28 15 A 8 LYS HEx A 8 LYS HGx 1.0 . 3.77 29 15 A 8 LYS HGy A 8 LYS HEx 1.0 . 3.77 30 15 A 8 LYS HGy A 8 LYS HEy 1.0 . 3.77 31 16 A 9 ASN H A 9 ASN HB2 1.0 . 3.59 32 16 A 9 ASN H A 9 ASN HB3 1.0 . 3.59 33 17 A 10 ALA H A 9 ASN HB2 1.0 . 3.91 34 17 A 9 ASN HB3 A 10 ALA H 1.0 . 3.91 35 18 A 10 ALA H A 10 ALA HB% 1.0 . 3.61 36 19 A 10 ALA HB% A 11 LYS H 1.0 . 3.95 37 20 A 11 LYS HA A 12 GLN H 1.0 . 3.30 38 21 A 11 LYS HA A 12 GLN HB2 1.0 . 4.58 39 21 A 11 LYS HA A 12 GLN HB3 1.0 . 4.58 40 22 A 11 LYS HA A 12 GLN HGx 1.0 . 4.68 41 22 A 11 LYS HA A 12 GLN HGy 1.0 . 4.68 42 23 A 12 GLN H A 11 LYS HBx 1.0 . 3.75 43 23 A 12 GLN H A 11 LYS HBy 1.0 . 3.75 44 24 A 11 LYS HBy A 12 GLN HB2 1.0 . 5.34 45 24 A 12 GLN HB3 A 11 LYS HBx 1.0 . 5.34 46 24 A 12 GLN HB3 A 11 LYS HBy 1.0 . 5.34 47 24 A 11 LYS HBx A 12 GLN HB2 1.0 . 5.34 48 25 A 12 GLN HA A 11 LYS HGx 1.0 . 4.24 49 25 A 11 LYS HGy A 12 GLN HA 1.0 . 4.24 50 26 A 12 GLN H A 11 LYS HGx 1.0 . 4.16 51 26 A 12 GLN H A 11 LYS HGy 1.0 . 4.16 52 27 A 13 GLU HA A 11 LYS HGx 1.0 . 4.71 53 27 A 11 LYS HGy A 13 GLU HA 1.0 . 4.71 54 28 A 13 GLU H A 11 LYS HGx 1.0 . 5.11 55 28 A 11 LYS HGy A 13 GLU H 1.0 . 5.11 56 29 A 14 HIS H A 11 LYS HGx 1.0 . 5.50 57 29 A 11 LYS HGy A 14 HIS H 1.0 . 5.50 58 30 A 12 GLN HA A 12 GLN HGx 1.0 . 3.42 59 30 A 12 GLN HGy A 12 GLN HA 1.0 . 3.42 60 31 A 12 GLN H A 12 GLN HB2 1.0 . 3.50 61 31 A 12 GLN H A 12 GLN HB3 1.0 . 3.50 62 32 A 12 GLN H A 12 GLN HGx 1.0 . 4.00 63 32 A 12 GLN H A 12 GLN HGy 1.0 . 4.00 64 33 A 13 GLU H A 12 GLN HGx 1.0 . 4.05 65 33 A 12 GLN HGy A 13 GLU H 1.0 . 4.05 66 34 A 14 HIS H A 12 GLN HGx 1.0 . 5.50 67 34 A 12 GLN HGy A 14 HIS H 1.0 . 5.50 68 35 A 13 GLU HA A 13 GLU HG2 1.0 . 3.76 69 36 A 13 GLU HA A 13 GLU HG3 1.0 . 3.76 70 37 A 13 GLU HA A 13 GLU HB3 1.0 . 2.59 71 37 A 13 GLU HA A 13 GLU HB2 1.0 . 2.59 72 38 A 13 GLU HA A 13 GLU HG3 1.0 . 3.19 73 38 A 13 GLU HA A 13 GLU HG2 1.0 . 3.19 74 39 A 13 GLU HA A 14 HIS HB2 1.0 . 5.34 75 39 A 13 GLU HA A 14 HIS HB3 1.0 . 5.34 76 40 A 13 GLU HA A 15 PHE HD% 1.0 . 5.50 77 41 A 13 GLU HA A 15 PHE HE% 1.0 . 5.50 78 42 A 13 GLU HB2 A 14 HIS HA 1.0 . 5.50 79 43 A 14 HIS HA A 13 GLU HB3 1.0 . 5.50 80 44 A 13 GLU H A 13 GLU HB3 1.0 . 3.05 81 44 A 13 GLU H A 13 GLU HB2 1.0 . 3.05 82 45 A 13 GLU HB3 A 13 GLU HG3 1.0 . 2.30 83 45 A 13 GLU HB2 A 13 GLU HG3 1.0 . 2.30 84 45 A 13 GLU HG2 A 13 GLU HB3 1.0 . 2.30 85 45 A 13 GLU HB2 A 13 GLU HG2 1.0 . 2.30 86 46 A 15 PHE HD% A 13 GLU HB3 1.0 . 5.17 87 46 A 13 GLU HB2 A 15 PHE HD% 1.0 . 5.17 88 47 A 15 PHE HE% A 13 GLU HB3 1.0 . 4.21 89 47 A 13 GLU HB2 A 15 PHE HE% 1.0 . 4.21 90 48 A 15 PHE HE% A 13 GLU HG3 1.0 . 5.10 91 48 A 13 GLU HG2 A 15 PHE HE% 1.0 . 5.10 92 49 A 14 HIS H A 14 HIS HB2 1.0 . 3.39 93 49 A 14 HIS H A 14 HIS HB3 1.0 . 3.39 94 50 A 15 PHE HD% A 15 PHE HA 1.0 . 3.82 95 51 A 17 LEU HDx% A 15 PHE HB2 1.0 . 5.50 96 52 A 17 LEU HDx% A 15 PHE HB3 1.0 . 5.50 97 53 A 15 PHE H A 15 PHE HB2 1.0 . 3.51 98 53 A 15 PHE H A 15 PHE HB3 1.0 . 3.51 99 54 A 17 LEU HDx% A 15 PHE HB2 1.0 . 4.82 100 54 A 17 LEU HDx% A 15 PHE HB3 1.0 . 4.82 101 55 A 15 PHE HB3 B 32 ASN HBx 1.0 . 4.05 102 55 A 15 PHE HB2 B 32 ASN HBx 1.0 . 4.05 103 55 B 32 ASN HBy A 15 PHE HB2 1.0 . 4.05 104 55 A 15 PHE HB3 B 32 ASN HBy 1.0 . 4.05 105 56 A 17 LEU HDx% A 20 GLU HB2 1.0 . 5.27 106 57 A 17 LEU HDx% A 20 GLU HB3 1.0 . 3.83 107 58 A 17 LEU HDx% A 20 GLU H 1.0 . 5.09 108 59 A 17 LEU HDx% A 21 TRP HB2 1.0 . 5.34 109 60 A 17 LEU HDx% A 21 TRP HD1 1.0 . 4.76 110 61 A 17 LEU HDx% A 21 TRP H 1.0 . 5.23 111 62 A 17 LEU HDy% A 21 TRP HB3 1.0 . 5.15 112 63 A 21 TRP H A 19 GLN HA 1.0 . 4.37 113 64 A 19 GLN HA A 22 VAL HA 1.0 . 5.50 114 65 A 19 GLN HA A 22 VAL H 1.0 . 4.19 115 66 A 19 GLN HA A 22 VAL HGy% 1.0 . 3.37 116 66 A 19 GLN HA A 22 VAL HGx% 1.0 . 3.37 117 67 A 19 GLN HA A 23 GLU H 1.0 . 4.52 118 68 A 19 GLN H A 22 VAL HGy% 1.0 . 5.44 119 68 A 22 VAL HGx% A 19 GLN H 1.0 . 5.44 120 69 A 19 GLN HB3 A 22 VAL HGy% 1.0 . 4.84 121 69 A 22 VAL HGx% A 19 GLN HB2 1.0 . 4.84 122 69 A 22 VAL HGx% A 19 GLN HB3 1.0 . 4.84 123 69 A 19 GLN HB2 A 22 VAL HGy% 1.0 . 4.84 124 70 A 22 VAL H A 19 GLN HGx 1.0 . 5.50 125 70 A 22 VAL H A 19 GLN HGy 1.0 . 5.50 126 71 A 22 VAL HGx% A 19 GLN HGy 1.0 . 4.29 127 71 A 22 VAL HGx% A 19 GLN HGx 1.0 . 4.29 128 72 A 19 GLN HGy A 22 VAL HGy% 1.0 . 4.29 129 72 A 19 GLN HGx A 22 VAL HGy% 1.0 . 4.29 130 73 A 19 GLN HGy A 22 VAL HGy% 1.0 . 3.40 131 73 A 19 GLN HGx A 22 VAL HGy% 1.0 . 3.40 132 73 A 22 VAL HGx% A 19 GLN HGx 1.0 . 3.40 133 73 A 22 VAL HGx% A 19 GLN HGy 1.0 . 3.40 134 74 A 20 GLU HA A 20 GLU HG3 1.0 . 2.71 135 75 A 20 GLU HB2 A 21 TRP H 1.0 . 3.79 136 76 A 20 GLU HB2 B 35 PRO HBy 1.0 . 5.50 137 77 A 20 GLU HB2 B 35 PRO HGx 1.0 . 5.50 138 78 A 20 GLU HB3 A 21 TRP HA 1.0 . 4.15 139 79 A 20 GLU HB3 A 21 TRP HB2 1.0 . 5.50 140 80 A 20 GLU HB3 A 21 TRP HB3 1.0 . 5.50 141 81 A 20 GLU HB3 A 21 TRP HD1 1.0 . 4.60 142 82 A 20 GLU HB3 A 21 TRP H 1.0 . 3.55 143 83 A 20 GLU HB3 A 24 LEU HDx% 1.0 . 4.52 144 83 A 20 GLU HB3 A 24 LEU HDy% 1.0 . 4.52 145 84 A 20 GLU HB3 B 35 PRO HBy 1.0 . 4.46 146 85 A 20 GLU HB3 B 35 PRO HGx 1.0 . 5.50 147 86 A 21 TRP HA A 20 GLU HG2 1.0 . 5.50 148 87 A 20 GLU HG2 B 35 PRO HA 1.0 . 5.21 149 88 A 20 GLU HG2 B 35 PRO HBx 1.0 . 3.76 150 89 B 35 PRO HBy A 20 GLU HG2 1.0 . 5.50 151 90 A 20 GLU HG2 B 36 GLU HA 1.0 . 4.74 152 91 A 20 GLU HG3 B 39 ARG H 1.0 . 5.50 153 92 A 20 GLU HG3 B 35 PRO HBx 1.0 . 3.31 154 93 A 20 GLU HG3 B 35 PRO HBy 1.0 . 5.50 155 94 A 20 GLU HG3 B 36 GLU HA 1.0 . 5.49 156 95 A 20 GLU H A 21 TRP HB2 1.0 . 5.19 157 96 A 20 GLU H A 21 TRP H 1.0 . 3.77 158 97 A 20 GLU H A 22 VAL H 1.0 . 5.50 159 98 A 21 TRP HD1 A 21 TRP HA 1.0 . 4.47 160 99 A 21 TRP HA A 21 TRP HE3 1.0 . 3.55 161 100 A 21 TRP HA A 21 TRP HZ3 1.0 . 4.78 162 101 A 21 TRP HA A 24 LEU HG 1.0 . 5.14 163 102 A 21 TRP HA A 24 LEU HB2 1.0 . 4.13 164 102 A 21 TRP HA A 24 LEU HB3 1.0 . 4.13 165 103 A 21 TRP HA A 24 LEU HDx% 1.0 . 4.07 166 104 A 21 TRP HA A 24 LEU HDy% 1.0 . 4.07 167 105 A 21 TRP HA B 35 PRO HA 1.0 . 5.27 168 106 B 35 PRO HBy A 21 TRP HA 1.0 . 5.50 169 107 A 21 TRP HB2 A 21 TRP HD1 1.0 . 3.60 170 108 A 21 TRP HB2 A 22 VAL H 1.0 . 3.97 171 109 A 21 TRP HB2 B 29 LYS HBx 1.0 . 4.17 172 109 A 21 TRP HB2 B 29 LYS HBy 1.0 . 4.17 173 110 A 21 TRP HB2 B 29 LYS HDx 1.0 . 5.34 174 110 A 21 TRP HB2 B 29 LYS HDy 1.0 . 5.34 175 111 A 21 TRP HD1 A 21 TRP HB3 1.0 . 3.67 176 112 A 21 TRP HB3 A 21 TRP HE3 1.0 . 3.38 177 113 A 21 TRP HB3 B 29 LYS HBx 1.0 . 4.63 178 113 A 21 TRP HB3 B 29 LYS HBy 1.0 . 4.63 179 114 A 21 TRP HE3 A 24 LEU HDx% 1.0 . 4.92 180 115 A 24 LEU HDy% A 21 TRP HE3 1.0 . 4.92 181 116 A 21 TRP HE3 A 25 MET HA 1.0 . 5.50 182 117 A 21 TRP HE3 A 25 MET HB2 1.0 . 5.50 183 118 A 21 TRP HE3 A 25 MET HB3 1.0 . 5.50 184 119 A 21 TRP HE3 B 25 MET HA 1.0 . 5.50 185 120 A 21 TRP HE3 B 25 MET HGx 1.0 . 5.50 186 120 A 21 TRP HE3 B 25 MET HGy 1.0 . 5.50 187 121 A 21 TRP HE3 B 28 ALA HB1 1.0 . 4.29 188 122 A 21 TRP HH2 A 38 ILE HG2% 1.0 . 3.12 189 123 B 25 MET HA A 21 TRP HH2 1.0 . 5.50 190 124 A 21 TRP HH2 B 28 ALA HA 1.0 . 5.50 191 125 B 28 ALA HB1 A 21 TRP HH2 1.0 . 2.91 192 126 A 21 TRP HH2 B 33 ILE HB 1.0 . 3.17 193 127 A 21 TRP HB2 A 21 TRP H 1.0 . 3.24 194 128 A 21 TRP HD1 A 21 TRP H 1.0 . 3.57 195 129 A 21 TRP H A 22 VAL H 1.0 . 3.29 196 130 A 38 ILE HG2% A 21 TRP HZ2 1.0 . 4.22 197 131 B 28 ALA HA A 21 TRP HZ2 1.0 . 5.50 198 132 B 28 ALA HB1 A 21 TRP HZ2 1.0 . 3.00 199 133 A 21 TRP HZ2 B 29 LYS HA 1.0 . 5.50 200 134 A 21 TRP HZ2 B 33 ILE H 1.0 . 5.38 201 135 B 35 PRO HA A 21 TRP HZ2 1.0 . 4.92 202 136 A 21 TRP HZ2 B 35 PRO HDx 1.0 . 4.20 203 137 A 21 TRP HZ2 B 35 PRO HGy 1.0 . 4.40 204 138 A 21 TRP HZ3 B 38 ILE HB 1.0 . 5.50 205 139 A 21 TRP HZ3 B 38 ILE HG21 1.0 . 4.68 206 140 A 21 TRP HZ3 A 24 LEU HDx% 1.0 . 4.67 207 141 A 24 LEU HDy% A 21 TRP HZ3 1.0 . 4.67 208 142 A 21 TRP HZ3 A 38 ILE HB 1.0 . 5.50 209 143 A 21 TRP HZ3 B 25 MET HA 1.0 . 4.71 210 144 A 21 TRP HZ3 B 25 MET HBx 1.0 . 5.34 211 144 A 21 TRP HZ3 B 25 MET HBy 1.0 . 5.34 212 145 A 21 TRP HZ3 B 28 ALA HB1 1.0 . 3.48 213 146 A 22 VAL HA A 25 MET HA 1.0 . 5.50 214 147 A 22 VAL HA A 25 MET H 1.0 . 4.78 215 148 A 23 GLU HA A 26 VAL H 1.0 . 4.59 216 149 A 24 LEU HA B 39 ARG HBx 1.0 . 5.50 217 149 A 24 LEU HA B 39 ARG HBy 1.0 . 5.50 218 150 A 24 LEU HA B 39 ARG HGy 1.0 . 5.34 219 150 A 24 LEU HA B 39 ARG HGx 1.0 . 5.34 220 151 B 35 PRO HBy A 24 LEU HB2 1.0 . 5.50 221 152 B 35 PRO HA A 24 LEU HG 1.0 . 5.50 222 153 B 38 ILE HB A 24 LEU HB2 1.0 . 5.34 223 153 A 24 LEU HB3 B 38 ILE HB 1.0 . 5.34 224 154 B 38 ILE HD11 A 24 LEU HB2 1.0 . 4.99 225 154 A 24 LEU HB3 B 38 ILE HD11 1.0 . 4.99 226 155 B 35 PRO HBy A 24 LEU HB2 1.0 . 4.79 227 155 B 35 PRO HBy A 24 LEU HB3 1.0 . 4.79 228 156 B 38 ILE HB A 24 LEU HDx% 1.0 . 3.80 229 157 B 38 ILE HG21 A 24 LEU HDx% 1.0 . 3.72 230 158 B 35 PRO HA A 24 LEU HDx% 1.0 . 3.68 231 159 A 24 LEU HDy% B 38 ILE HB 1.0 . 3.80 232 160 A 24 LEU HDy% B 38 ILE HD11 1.0 . 3.37 233 161 A 24 LEU HDy% B 38 ILE HG21 1.0 . 3.72 234 162 A 24 LEU HDy% B 35 PRO HA 1.0 . 3.68 235 163 B 35 PRO HA A 24 LEU HDx% 1.0 . 3.14 236 163 A 24 LEU HDy% B 35 PRO HA 1.0 . 3.14 237 164 B 35 PRO HGx A 24 LEU HDx% 1.0 . 4.18 238 164 B 35 PRO HGx A 24 LEU HDy% 1.0 . 4.18 239 165 A 25 MET HA B 21 TRP HE3 1.0 . 5.50 240 166 A 25 MET HA B 21 TRP HH2 1.0 . 5.50 241 167 A 25 MET HA B 21 TRP HZ3 1.0 . 4.71 242 168 A 25 MET HA B 25 MET HGx 1.0 . 5.50 243 168 A 25 MET HA B 25 MET HGy 1.0 . 5.50 244 169 B 21 TRP HE3 A 25 MET HGx 1.0 . 5.50 245 169 B 21 TRP HE3 A 25 MET HGy 1.0 . 5.50 246 170 B 25 MET HA A 25 MET HGx 1.0 . 5.50 247 170 B 25 MET HA A 25 MET HGy 1.0 . 5.50 248 171 A 26 VAL HA A 29 LYS H 1.0 . 5.29 249 172 A 27 GLU HB2 B 42 LEU HD11 1.0 . 4.37 250 173 A 27 GLU HB2 B 42 LEU HD21 1.0 . 4.37 251 174 B 42 LEU HD11 A 27 GLU HB3 1.0 . 4.37 252 175 B 42 LEU HD21 A 27 GLU HB3 1.0 . 4.37 253 176 A 28 ALA HA B 42 LEU HA 1.0 . 5.50 254 177 A 28 ALA HA A 31 ALA H 1.0 . 3.75 255 178 A 28 ALA HA A 32 ASN HA 1.0 . 5.02 256 179 A 28 ALA HA A 33 ILE HB 1.0 . 3.63 257 180 A 28 ALA HA A 33 ILE H 1.0 . 5.08 258 181 A 28 ALA HA A 33 ILE HG2% 1.0 . 4.78 259 182 B 21 TRP HH2 A 28 ALA HA 1.0 . 5.50 260 183 A 28 ALA HA B 21 TRP HZ2 1.0 . 5.50 261 184 B 38 ILE HG21 A 28 ALA HB% 1.0 . 3.87 262 185 A 32 ASN HA A 28 ALA HB% 1.0 . 4.88 263 186 B 21 TRP HE3 A 28 ALA HB% 1.0 . 4.29 264 187 B 21 TRP HH2 A 28 ALA HB% 1.0 . 2.91 265 188 B 21 TRP HZ2 A 28 ALA HB% 1.0 . 3.00 266 189 B 21 TRP HZ3 A 28 ALA HB% 1.0 . 3.48 267 190 A 29 LYS HA A 32 ASN H 1.0 . 3.64 268 191 B 21 TRP HZ2 A 29 LYS HA 1.0 . 5.50 269 192 A 31 ALA H A 30 GLU H 1.0 . 3.11 270 193 A 31 ALA H A 32 ASN H 1.0 . 3.44 271 194 B 42 LEU HA A 31 ALA HB% 1.0 . 4.49 272 195 A 32 ASN H A 31 ALA HB% 1.0 . 3.66 273 196 A 33 ILE H A 32 ASN HB2 1.0 . 5.50 274 197 A 33 ILE H A 32 ASN HB3 1.0 . 5.50 275 198 A 32 ASN HA A 32 ASN H 1.0 . 2.84 276 199 B 21 TRP HH2 A 33 ILE HB 1.0 . 3.17 277 200 B 42 LEU HA A 33 ILE HG12 1.0 . 5.50 278 201 A 33 ILE HG12 B 42 LEU H 1.0 . 4.89 279 202 A 33 ILE H B 21 TRP HZ2 1.0 . 5.38 280 203 A 33 ILE HD1% B 41 TYR HBx 1.0 . 4.41 281 204 A 33 ILE HD1% B 41 TYR HBy 1.0 . 4.38 282 205 A 33 ILE HD1% B 41 TYR HD% 1.0 . 2.63 283 206 A 33 ILE HD1% B 41 TYR HE% 1.0 . 3.28 284 207 A 33 ILE HD1% B 42 LEU HBx 1.0 . 4.71 285 208 A 33 ILE HD1% B 42 LEU HBy 1.0 . 4.71 286 209 B 42 LEU H A 33 ILE HD1% 1.0 . 3.68 287 210 A 33 ILE HD1% B 45 ASN HBy 1.0 . 4.01 288 211 A 33 ILE HD1% B 47 LYS HBx 1.0 . 5.24 289 211 A 33 ILE HD1% B 47 LYS HBy 1.0 . 5.24 290 212 A 33 ILE HD1% B 47 LYS HEx 1.0 . 5.50 291 212 A 33 ILE HD1% B 47 LYS HEy 1.0 . 5.50 292 213 A 33 ILE HD1% B 47 LYS HGx 1.0 . 5.31 293 213 A 33 ILE HD1% B 47 LYS HGy 1.0 . 5.31 294 214 A 33 ILE HD1% A 34 SER H 1.0 . 4.56 295 215 B 38 ILE HD11 A 33 ILE HG2% 1.0 . 5.03 296 216 A 33 ILE HG2% B 41 TYR HD% 1.0 . 2.87 297 217 A 34 SER HB2 B 37 GLU HGx 1.0 . 5.50 298 217 A 34 SER HB2 B 37 GLU HGy 1.0 . 5.50 299 218 A 34 SER HB2 A 37 GLU HB2 1.0 . 5.50 300 219 A 34 SER HB2 A 37 GLU HB3 1.0 . 5.50 301 220 A 34 SER H A 34 SER HB3 1.0 . 4.06 302 221 A 34 SER H A 35 PRO HD3 1.0 . 4.74 303 222 B 38 ILE HD11 A 35 PRO HA 1.0 . 5.45 304 223 A 35 PRO HA A 37 GLU H 1.0 . 5.50 305 224 A 35 PRO HA A 39 ARG H 1.0 . 4.18 306 225 A 35 PRO HA B 20 GLU HGx 1.0 . 5.21 307 226 A 35 PRO HA B 21 TRP HA 1.0 . 5.27 308 227 B 21 TRP HZ2 A 35 PRO HA 1.0 . 4.92 309 228 A 35 PRO HA B 24 LEU HG 1.0 . 5.50 310 229 A 35 PRO HA B 24 LEU HD11 1.0 . 3.68 311 230 A 35 PRO HA B 24 LEU HD21 1.0 . 3.68 312 231 A 35 PRO HB2 A 36 GLU H 1.0 . 4.33 313 232 A 39 ARG H A 35 PRO HB2 1.0 . 4.76 314 233 B 20 GLU HGx A 35 PRO HB2 1.0 . 3.76 315 234 A 35 PRO HB2 B 20 GLU HGy 1.0 . 3.31 316 235 A 36 GLU H A 35 PRO HB3 1.0 . 4.52 317 236 A 35 PRO HB3 B 20 GLU HBx 1.0 . 5.50 318 237 A 35 PRO HB3 B 20 GLU HBy 1.0 . 4.46 319 238 B 20 GLU HGx A 35 PRO HB3 1.0 . 5.50 320 239 B 20 GLU HGy A 35 PRO HB3 1.0 . 5.50 321 240 B 21 TRP HA A 35 PRO HB3 1.0 . 5.50 322 241 A 35 PRO HB3 B 24 LEU HBx 1.0 . 5.50 323 242 B 21 TRP HZ2 A 35 PRO HD2 1.0 . 4.20 324 243 A 35 PRO HG2 A 36 GLU HB2 1.0 . 5.50 325 244 A 35 PRO HG2 A 36 GLU HB3 1.0 . 5.50 326 245 B 20 GLU HBx A 35 PRO HG2 1.0 . 5.50 327 246 B 20 GLU HBy A 35 PRO HG2 1.0 . 5.50 328 247 B 21 TRP HZ2 A 35 PRO HG3 1.0 . 4.40 329 248 A 36 GLU HA A 36 GLU HGx 1.0 . 3.06 330 248 A 36 GLU HA A 36 GLU HGy 1.0 . 3.06 331 249 A 39 ARG H A 36 GLU HA 1.0 . 4.25 332 250 A 36 GLU HA A 39 ARG HBx 1.0 . 4.21 333 250 A 36 GLU HA A 39 ARG HBy 1.0 . 4.21 334 251 B 20 GLU HGx A 36 GLU HA 1.0 . 4.74 335 252 B 20 GLU HGy A 36 GLU HA 1.0 . 5.49 336 253 A 37 GLU H A 36 GLU HB2 1.0 . 4.18 337 254 A 37 GLU H A 36 GLU HB3 1.0 . 4.18 338 255 A 36 GLU H A 36 GLU HGx 1.0 . 4.04 339 255 A 36 GLU H A 36 GLU HGy 1.0 . 4.04 340 256 A 37 GLU H A 36 GLU H 1.0 . 3.74 341 257 A 36 GLU HGx A 40 LYS HDx 1.0 . 3.60 342 257 A 36 GLU HGy A 40 LYS HDx 1.0 . 3.60 343 257 A 40 LYS HDy A 36 GLU HGx 1.0 . 3.60 344 257 A 36 GLU HGy A 40 LYS HDy 1.0 . 3.60 345 258 A 36 GLU HGy A 40 LYS HEx 1.0 . 4.17 346 258 A 36 GLU HGx A 40 LYS HEx 1.0 . 4.17 347 258 A 40 LYS HEy A 36 GLU HGx 1.0 . 4.17 348 258 A 36 GLU HGy A 40 LYS HEy 1.0 . 4.17 349 259 A 37 GLU HA A 40 LYS HG2 1.0 . 4.22 350 260 A 37 GLU HA A 40 LYS HDx 1.0 . 3.52 351 260 A 40 LYS HDy A 37 GLU HA 1.0 . 3.52 352 261 A 37 GLU HA A 40 LYS HEx 1.0 . 4.77 353 261 A 40 LYS HEy A 37 GLU HA 1.0 . 4.77 354 262 A 37 GLU HB2 A 38 ILE H 1.0 . 4.16 355 263 A 37 GLU HB2 A 38 ILE HD1% 1.0 . 4.62 356 264 A 37 GLU HB2 A 40 LYS HDx 1.0 . 5.50 357 264 A 37 GLU HB2 A 40 LYS HDy 1.0 . 5.50 358 265 A 37 GLU HB3 A 38 ILE H 1.0 . 4.16 359 266 A 37 GLU HB3 A 38 ILE HD1% 1.0 . 4.62 360 267 A 37 GLU HB3 A 40 LYS HDx 1.0 . 5.50 361 267 A 37 GLU HB3 A 40 LYS HDy 1.0 . 5.50 362 268 A 37 GLU H A 38 ILE H 1.0 . 3.73 363 269 A 37 GLU H A 38 ILE HD1% 1.0 . 4.50 364 270 A 38 ILE HA A 37 GLU HGx 1.0 . 5.50 365 270 A 37 GLU HGy A 38 ILE HA 1.0 . 5.50 366 271 A 38 ILE HD1% A 37 GLU HGx 1.0 . 3.77 367 271 A 38 ILE HD1% A 37 GLU HGy 1.0 . 3.77 368 272 A 37 GLU HGy A 40 LYS HDx 1.0 . 5.50 369 272 A 37 GLU HGx A 40 LYS HDx 1.0 . 5.50 370 272 A 40 LYS HDy A 37 GLU HGx 1.0 . 5.50 371 272 A 40 LYS HDy A 37 GLU HGy 1.0 . 5.50 372 273 A 41 TYR HB2 A 37 GLU HGx 1.0 . 4.46 373 273 A 37 GLU HGy A 41 TYR HB2 1.0 . 4.46 374 274 A 41 TYR HB3 A 37 GLU HGx 1.0 . 4.90 375 274 A 37 GLU HGy A 41 TYR HB3 1.0 . 4.90 376 275 A 41 TYR HD% A 37 GLU HGx 1.0 . 3.94 377 275 A 37 GLU HGy A 41 TYR HD% 1.0 . 3.94 378 276 B 34 SER HBx A 37 GLU HGx 1.0 . 5.50 379 276 A 37 GLU HGy B 34 SER HBx 1.0 . 5.50 380 277 A 38 ILE HA A 41 TYR HA 1.0 . 5.50 381 278 A 38 ILE HB B 38 ILE HD11 1.0 . 5.05 382 279 A 38 ILE HB B 21 TRP HZ3 1.0 . 5.50 383 280 A 38 ILE HB B 24 LEU HD11 1.0 . 3.80 384 281 A 38 ILE HB B 24 LEU HD21 1.0 . 3.80 385 282 B 38 ILE HD11 A 38 ILE HG12 1.0 . 4.39 386 283 A 38 ILE H A 38 ILE HG13 1.0 . 2.92 387 284 A 38 ILE H A 38 ILE HD1% 1.0 . 3.31 388 285 A 39 ARG H A 38 ILE H 1.0 . 3.76 389 286 B 38 ILE HB A 38 ILE HD1% 1.0 . 5.05 390 287 A 38 ILE HD1% B 38 ILE HG1x 1.0 . 4.39 391 288 A 39 ARG H A 38 ILE HD1% 1.0 . 3.73 392 289 B 24 LEU HD21 A 38 ILE HD1% 1.0 . 3.37 393 290 A 38 ILE HD1% B 33 ILE HG21 1.0 . 5.03 394 291 B 35 PRO HA A 38 ILE HD1% 1.0 . 5.45 395 292 A 38 ILE HG2% B 21 TRP HZ3 1.0 . 4.68 396 293 A 38 ILE HG2% B 24 LEU HD11 1.0 . 3.72 397 294 A 38 ILE HG2% B 24 LEU HD21 1.0 . 3.72 398 295 B 28 ALA HB1 A 38 ILE HG2% 1.0 . 3.87 399 296 A 39 ARG HA A 39 ARG HD2 1.0 . 4.67 400 297 A 39 ARG HA A 39 ARG HG3 1.0 . 4.14 401 298 A 39 ARG HA A 43 LEU H 1.0 . 5.50 402 299 A 39 ARG H A 39 ARG HBx 1.0 . 3.06 403 299 A 39 ARG H A 39 ARG HBy 1.0 . 3.06 404 300 A 39 ARG H A 40 LYS H 1.0 . 3.94 405 301 A 39 ARG H B 20 GLU HGy 1.0 . 5.50 406 302 A 39 ARG HD2 A 39 ARG HBx 1.0 . 3.48 407 302 A 39 ARG HBy A 39 ARG HD2 1.0 . 3.48 408 303 A 39 ARG HD3 A 39 ARG HBx 1.0 . 3.48 409 303 A 39 ARG HBy A 39 ARG HD3 1.0 . 3.48 410 304 A 40 LYS H A 39 ARG HBx 1.0 . 2.92 411 304 A 39 ARG HBy A 40 LYS H 1.0 . 2.92 412 305 B 24 LEU HA A 39 ARG HBx 1.0 . 5.50 413 305 A 39 ARG HBy B 24 LEU HA 1.0 . 5.50 414 306 A 40 LYS HG2 A 40 LYS HA 1.0 . 4.15 415 307 A 40 LYS HG2 A 41 TYR H 1.0 . 5.08 416 308 A 41 TYR HA A 40 LYS HG3 1.0 . 4.60 417 309 A 41 TYR H A 40 LYS HG3 1.0 . 4.58 418 310 A 40 LYS HG2 A 40 LYS H 1.0 . 3.91 419 311 A 40 LYS H A 40 LYS HBx 1.0 . 3.61 420 311 A 40 LYS H A 40 LYS HBy 1.0 . 3.61 421 312 A 40 LYS H A 41 TYR H 1.0 . 4.27 422 313 A 40 LYS HBx A 40 LYS HEx 1.0 . 5.50 423 313 A 40 LYS HBy A 40 LYS HEx 1.0 . 5.50 424 313 A 40 LYS HEy A 40 LYS HBx 1.0 . 5.50 425 313 A 40 LYS HEy A 40 LYS HBy 1.0 . 5.50 426 314 A 41 TYR HA A 40 LYS HBx 1.0 . 5.50 427 314 A 41 TYR HA A 40 LYS HBy 1.0 . 5.50 428 315 A 41 TYR H A 40 LYS HBx 1.0 . 3.51 429 315 A 41 TYR H A 40 LYS HBy 1.0 . 3.51 430 316 A 41 TYR HA A 44 LEU HB3 1.0 . 5.12 431 317 A 41 TYR HB2 B 33 ILE HD11 1.0 . 4.41 432 318 A 41 TYR HB3 A 45 ASN HB2 1.0 . 5.50 433 319 A 41 TYR HB3 A 45 ASN HB3 1.0 . 5.50 434 320 A 41 TYR HB3 B 33 ILE HD11 1.0 . 4.38 435 321 A 41 TYR H A 42 LEU H 1.0 . 3.85 436 322 A 41 TYR HD% A 42 LEU HA 1.0 . 5.50 437 323 A 41 TYR HD% A 42 LEU H 1.0 . 5.50 438 324 A 41 TYR HD% A 45 ASN HB2 1.0 . 4.93 439 325 A 41 TYR HD% A 45 ASN HB3 1.0 . 4.93 440 326 A 41 TYR HD% B 33 ILE HD11 1.0 . 2.63 441 327 A 41 TYR HD% B 33 ILE HG21 1.0 . 2.87 442 328 B 33 ILE HD11 A 41 TYR HE% 1.0 . 3.28 443 329 A 42 LEU HA A 42 LEU HDx% 1.0 . 3.90 444 330 A 42 LEU HA A 42 LEU HDy% 1.0 . 3.90 445 331 A 42 LEU HA A 43 LEU HA 1.0 . 4.91 446 332 A 42 LEU HA A 45 ASN HA 1.0 . 5.50 447 333 A 45 ASN HB2 A 42 LEU HA 1.0 . 4.54 448 334 A 45 ASN HB3 A 42 LEU HA 1.0 . 4.54 449 335 A 42 LEU HA A 45 ASN H 1.0 . 5.50 450 336 B 28 ALA HA A 42 LEU HA 1.0 . 5.50 451 337 A 42 LEU HA B 31 ALA HB1 1.0 . 4.49 452 338 A 42 LEU HA B 33 ILE HG1x 1.0 . 5.50 453 339 B 33 ILE HD11 A 42 LEU HB2 1.0 . 4.71 454 340 B 33 ILE HD11 A 42 LEU HB3 1.0 . 4.71 455 341 A 43 LEU H A 42 LEU H 1.0 . 3.73 456 342 A 42 LEU H A 44 LEU H 1.0 . 5.50 457 343 A 42 LEU H B 33 ILE HG1x 1.0 . 4.89 458 344 B 33 ILE HD11 A 42 LEU H 1.0 . 3.68 459 345 A 42 LEU HDx% B 27 GLU HBx 1.0 . 4.37 460 346 A 42 LEU HDx% B 27 GLU HBy 1.0 . 4.37 461 347 A 42 LEU HDy% B 27 GLU HBx 1.0 . 4.37 462 348 A 42 LEU HDy% B 27 GLU HBy 1.0 . 4.37 463 349 A 43 LEU HA A 43 LEU HG 1.0 . 3.57 464 350 A 43 LEU H A 44 LEU H 1.0 . 3.20 465 351 A 44 LEU HA A 44 LEU HDx% 1.0 . 4.21 466 352 A 44 LEU HA A 44 LEU HDy% 1.0 . 4.21 467 353 A 45 ASN HA A 44 LEU HA 1.0 . 5.00 468 354 A 44 LEU HA A 46 LYS H 1.0 . 5.50 469 355 A 44 LEU HDx% A 44 LEU HB2 1.0 . 3.86 470 356 A 44 LEU HDy% A 44 LEU HB2 1.0 . 3.86 471 357 A 45 ASN HA A 44 LEU HB2 1.0 . 5.32 472 358 A 44 LEU HB3 A 44 LEU H 1.0 . 2.90 473 359 A 45 ASN H A 44 LEU H 1.0 . 2.50 474 360 A 45 ASN HA A 46 LYS HA 1.0 . 5.30 475 361 A 45 ASN HA A 47 LYS HBx 1.0 . 5.50 476 361 A 45 ASN HA A 47 LYS HBy 1.0 . 5.50 477 362 A 45 ASN HA A 47 LYS HGx 1.0 . 5.50 478 362 A 45 ASN HA A 47 LYS HGy 1.0 . 5.50 479 363 A 45 ASN HB2 A 46 LYS H 1.0 . 5.50 480 364 A 45 ASN HB2 A 47 LYS HBx 1.0 . 5.50 481 364 A 45 ASN HB2 A 47 LYS HBy 1.0 . 5.50 482 365 A 45 ASN HB3 A 46 LYS HA 1.0 . 5.50 483 366 A 45 ASN HB3 A 46 LYS H 1.0 . 5.50 484 367 A 45 ASN HB3 A 47 LYS HBx 1.0 . 5.50 485 367 A 45 ASN HB3 A 47 LYS HBy 1.0 . 5.50 486 368 B 33 ILE HD11 A 45 ASN HB3 1.0 . 4.01 487 369 A 45 ASN HB2 A 45 ASN H 1.0 . 4.08 488 370 A 45 ASN HB3 A 45 ASN H 1.0 . 4.08 489 371 A 47 LYS HA A 47 LYS HDx 1.0 . 4.66 490 371 A 47 LYS HA A 47 LYS HDy 1.0 . 4.66 491 372 A 47 LYS HA A 47 LYS HGx 1.0 . 3.98 492 372 A 47 LYS HGy A 47 LYS HA 1.0 . 3.98 493 373 A 48 SER H A 47 LYS HBx 1.0 . 3.01 494 373 A 47 LYS HBy A 48 SER H 1.0 . 3.01 495 374 B 33 ILE HD11 A 47 LYS HBx 1.0 . 5.24 496 374 B 33 ILE HD11 A 47 LYS HBy 1.0 . 5.24 497 375 B 33 ILE HD11 A 47 LYS HEx 1.0 . 5.50 498 375 B 33 ILE HD11 A 47 LYS HEy 1.0 . 5.50 499 376 A 47 LYS HDy A 47 LYS HGx 1.0 . 2.71 500 376 A 47 LYS HDx A 47 LYS HGx 1.0 . 2.71 501 376 A 47 LYS HGy A 47 LYS HDx 1.0 . 2.71 502 376 A 47 LYS HGy A 47 LYS HDy 1.0 . 2.71 503 377 A 48 SER H A 47 LYS HGx 1.0 . 4.52 504 377 A 47 LYS HGy A 48 SER H 1.0 . 4.52 505 378 B 33 ILE HD11 A 47 LYS HGx 1.0 . 5.31 506 378 B 33 ILE HD11 A 47 LYS HGy 1.0 . 5.31 507 379 A 49 ALA H A 49 ALA HB% 1.0 . 3.45 508 380 A 49 ALA HB% A 50 HIS H 1.0 . 4.31 509 381 A 50 HIS HA A 51 PRO HDx 1.0 . 3.10 510 381 A 50 HIS HA A 51 PRO HDy 1.0 . 3.10 511 382 A 50 HIS H A 51 PRO HDx 1.0 . 5.50 512 382 A 50 HIS H A 51 PRO HDy 1.0 . 5.50 513 383 A 51 PRO HA A 52 GLY H 1.0 . 3.51 514 384 A 52 GLY H A 51 PRO HB2 1.0 . 3.98 515 385 A 52 GLY H A 51 PRO HB3 1.0 . 3.98 516 386 A 52 GLY HA3 A 51 PRO HGx 1.0 . 5.50 517 386 A 51 PRO HGy A 52 GLY HA3 1.0 . 5.50 518 387 A 54 ALA H A 54 ALA HB% 1.0 . 3.49 519 388 A 54 ALA HB% A 55 ALA H 1.0 . 3.82 520 389 A 55 ALA H A 55 ALA HB% 1.0 . 4.00 521 390 B 5 ALA H B 5 ALA HB1 1.0 . 3.90 522 391 B 5 ALA H B 6 SER H 1.0 . 5.50 523 392 B 5 ALA HB1 B 6 SER H 1.0 . 4.30 524 393 B 6 SER HA B 7 MET H 1.0 . 3.43 525 394 B 7 MET H B 6 SER HBx 1.0 . 5.50 526 394 B 7 MET H B 6 SER HBy 1.0 . 5.50 527 395 B 8 LYS HA B 8 LYS HDx 1.0 . 4.49 528 395 B 8 LYS HA B 8 LYS HDy 1.0 . 4.49 529 396 B 8 LYS HA B 8 LYS HGx 1.0 . 3.90 530 396 B 8 LYS HA B 8 LYS HGy 1.0 . 3.90 531 397 B 8 LYS H B 8 LYS HBx 1.0 . 3.86 532 397 B 8 LYS H B 8 LYS HBy 1.0 . 3.86 533 398 B 9 ASN H B 8 LYS HBx 1.0 . 3.98 534 398 B 8 LYS HBy B 9 ASN H 1.0 . 3.98 535 399 B 8 LYS HDx B 8 LYS HGx 1.0 . 2.58 536 399 B 8 LYS HDy B 8 LYS HGx 1.0 . 2.58 537 399 B 8 LYS HGy B 8 LYS HDx 1.0 . 2.58 538 399 B 8 LYS HDy B 8 LYS HGy 1.0 . 2.58 539 400 B 8 LYS HEy B 8 LYS HGx 1.0 . 3.77 540 400 B 8 LYS HEx B 8 LYS HGx 1.0 . 3.77 541 400 B 8 LYS HGy B 8 LYS HEx 1.0 . 3.77 542 400 B 8 LYS HGy B 8 LYS HEy 1.0 . 3.77 543 401 B 10 ALA H B 10 ALA HB1 1.0 . 3.61 544 402 B 10 ALA HB1 B 11 LYS H 1.0 . 3.95 545 403 B 11 LYS HA B 12 GLN H 1.0 . 3.30 546 404 B 11 LYS HA B 12 GLN HGx 1.0 . 4.68 547 404 B 11 LYS HA B 12 GLN HGy 1.0 . 4.68 548 405 B 12 GLN H B 11 LYS HBx 1.0 . 3.75 549 405 B 12 GLN H B 11 LYS HBy 1.0 . 3.75 550 406 B 12 GLN HA B 11 LYS HGx 1.0 . 4.24 551 406 B 11 LYS HGy B 12 GLN HA 1.0 . 4.24 552 407 B 12 GLN H B 11 LYS HGx 1.0 . 4.16 553 407 B 12 GLN H B 11 LYS HGy 1.0 . 4.16 554 408 B 13 GLU HA B 11 LYS HGx 1.0 . 4.71 555 408 B 11 LYS HGy B 13 GLU HA 1.0 . 4.71 556 409 B 13 GLU H B 11 LYS HGx 1.0 . 5.11 557 409 B 11 LYS HGy B 13 GLU H 1.0 . 5.11 558 410 B 14 HIS H B 11 LYS HGx 1.0 . 5.50 559 410 B 11 LYS HGy B 14 HIS H 1.0 . 5.50 560 411 B 12 GLN HA B 12 GLN HGx 1.0 . 3.42 561 411 B 12 GLN HGy B 12 GLN HA 1.0 . 3.42 562 412 B 12 GLN H B 12 GLN HGx 1.0 . 4.00 563 412 B 12 GLN H B 12 GLN HGy 1.0 . 4.00 564 413 B 13 GLU H B 12 GLN HGx 1.0 . 4.05 565 413 B 12 GLN HGy B 13 GLU H 1.0 . 4.05 566 414 B 14 HIS H B 12 GLN HGx 1.0 . 5.50 567 414 B 12 GLN HGy B 14 HIS H 1.0 . 5.50 568 415 B 13 GLU HA B 13 GLU HGx 1.0 . 3.76 569 416 B 13 GLU HA B 13 GLU HGy 1.0 . 3.76 570 417 B 13 GLU HA B 15 PHE HD% 1.0 . 5.50 571 418 B 13 GLU HA B 15 PHE HE% 1.0 . 5.50 572 419 B 13 GLU HBx B 14 HIS HA 1.0 . 5.50 573 420 B 14 HIS HA B 13 GLU HBy 1.0 . 5.50 574 421 B 15 PHE HD% B 15 PHE HA 1.0 . 3.82 575 422 B 20 GLU HBy B 17 LEU HD11 1.0 . 4.16 576 423 B 17 LEU HD11 B 21 TRP HBx 1.0 . 5.34 577 424 B 17 LEU HD11 B 21 TRP HD1 1.0 . 4.96 578 425 B 19 GLN HA B 21 TRP H 1.0 . 4.37 579 426 B 19 GLN HA B 22 VAL HA 1.0 . 5.50 580 427 B 19 GLN HA B 22 VAL H 1.0 . 4.19 581 428 B 19 GLN HA B 23 GLU H 1.0 . 4.52 582 429 B 22 VAL H B 19 GLN HGx 1.0 . 5.50 583 429 B 22 VAL H B 19 GLN HGy 1.0 . 5.50 584 430 B 22 VAL HG11 B 19 GLN HGx 1.0 . 4.29 585 430 B 19 GLN HGy B 22 VAL HG11 1.0 . 4.29 586 431 B 22 VAL HG21 B 19 GLN HGx 1.0 . 4.29 587 431 B 19 GLN HGy B 22 VAL HG21 1.0 . 4.29 588 432 B 20 GLU HGy B 20 GLU HA 1.0 . 2.71 589 433 B 20 GLU HBx B 21 TRP H 1.0 . 3.79 590 434 B 21 TRP HA B 20 GLU HBy 1.0 . 4.15 591 435 B 20 GLU HBy B 21 TRP HBx 1.0 . 5.50 592 436 B 20 GLU HBy B 21 TRP HBy 1.0 . 5.50 593 437 B 20 GLU HBy B 21 TRP HD1 1.0 . 4.60 594 438 B 20 GLU HBy B 21 TRP H 1.0 . 3.55 595 439 B 20 GLU HGx B 21 TRP HA 1.0 . 5.50 596 440 B 21 TRP HBx B 20 GLU H 1.0 . 5.19 597 441 B 21 TRP H B 20 GLU H 1.0 . 3.77 598 442 B 22 VAL H B 20 GLU H 1.0 . 5.50 599 443 B 21 TRP HA B 21 TRP HD1 1.0 . 4.47 600 444 B 21 TRP HE3 B 21 TRP HA 1.0 . 3.55 601 445 B 21 TRP HZ3 B 21 TRP HA 1.0 . 4.78 602 446 B 21 TRP HA B 24 LEU HG 1.0 . 5.14 603 447 B 21 TRP HA B 24 LEU HD11 1.0 . 4.07 604 448 B 21 TRP HA B 24 LEU HD21 1.0 . 4.07 605 449 B 21 TRP HBx B 21 TRP HD1 1.0 . 3.60 606 450 B 21 TRP HBx B 22 VAL H 1.0 . 3.97 607 451 B 21 TRP HD1 B 21 TRP HBy 1.0 . 3.67 608 452 B 21 TRP HE3 B 21 TRP HBy 1.0 . 3.38 609 453 B 21 TRP HE3 B 24 LEU HD11 1.0 . 4.92 610 454 B 21 TRP HE3 B 24 LEU HD21 1.0 . 4.92 611 455 B 25 MET HA B 21 TRP HE3 1.0 . 5.50 612 456 B 21 TRP HE3 B 25 MET HBx 1.0 . 5.50 613 457 B 25 MET HBy B 21 TRP HE3 1.0 . 5.50 614 458 B 38 ILE HG21 B 21 TRP HH2 1.0 . 3.12 615 459 B 21 TRP HBx B 21 TRP H 1.0 . 3.24 616 460 B 21 TRP HD1 B 21 TRP H 1.0 . 3.57 617 461 B 21 TRP H B 22 VAL H 1.0 . 3.29 618 462 B 38 ILE HG21 B 21 TRP HZ2 1.0 . 4.22 619 463 B 38 ILE HB B 21 TRP HZ3 1.0 . 5.50 620 464 B 21 TRP HZ3 B 24 LEU HD11 1.0 . 4.67 621 465 B 21 TRP HZ3 B 24 LEU HD21 1.0 . 4.67 622 466 B 25 MET HA B 22 VAL HA 1.0 . 5.50 623 467 B 22 VAL HA B 25 MET H 1.0 . 4.78 624 468 B 23 GLU HA B 26 VAL H 1.0 . 4.59 625 469 B 26 VAL HA B 29 LYS H 1.0 . 5.29 626 470 B 28 ALA HA B 31 ALA H 1.0 . 3.75 627 471 B 28 ALA HA B 32 ASN HA 1.0 . 5.02 628 472 B 28 ALA HA B 33 ILE HB 1.0 . 3.63 629 473 B 28 ALA HA B 33 ILE H 1.0 . 5.08 630 474 B 28 ALA HA B 33 ILE HG21 1.0 . 4.78 631 475 B 28 ALA HB1 B 32 ASN HA 1.0 . 4.88 632 476 B 29 LYS HA B 32 ASN H 1.0 . 3.64 633 477 B 31 ALA H B 30 GLU H 1.0 . 3.11 634 478 B 31 ALA H B 32 ASN H 1.0 . 3.44 635 479 B 31 ALA HB1 B 32 ASN H 1.0 . 3.66 636 480 B 33 ILE H B 32 ASN HBx 1.0 . 5.50 637 481 B 32 ASN HBy B 33 ILE H 1.0 . 5.50 638 482 B 32 ASN HA B 32 ASN H 1.0 . 2.84 639 483 B 33 ILE HD11 B 34 SER H 1.0 . 4.56 640 484 B 34 SER HBx B 37 GLU HBx 1.0 . 5.50 641 485 B 34 SER HBx B 37 GLU HBy 1.0 . 5.50 642 486 B 34 SER H B 34 SER HBy 1.0 . 4.06 643 487 B 34 SER H B 35 PRO HDy 1.0 . 4.74 644 488 B 35 PRO HA B 37 GLU H 1.0 . 5.50 645 489 B 35 PRO HA B 39 ARG H 1.0 . 4.18 646 490 B 35 PRO HBx B 39 ARG H 1.0 . 4.76 647 491 B 35 PRO HBx B 36 GLU H 1.0 . 4.33 648 492 B 35 PRO HBy B 36 GLU H 1.0 . 4.52 649 493 B 35 PRO HGx B 36 GLU HBx 1.0 . 5.50 650 494 B 35 PRO HGx B 36 GLU HBy 1.0 . 5.50 651 495 B 36 GLU HA B 39 ARG H 1.0 . 4.25 652 496 B 36 GLU HA B 39 ARG HBx 1.0 . 4.21 653 496 B 36 GLU HA B 39 ARG HBy 1.0 . 4.21 654 497 B 36 GLU HA B 36 GLU HGx 1.0 . 3.06 655 497 B 36 GLU HA B 36 GLU HGy 1.0 . 3.06 656 498 B 37 GLU H B 36 GLU HBx 1.0 . 4.18 657 499 B 37 GLU H B 36 GLU HBy 1.0 . 4.18 658 500 B 37 GLU H B 36 GLU H 1.0 . 3.74 659 501 B 36 GLU H B 36 GLU HGx 1.0 . 4.04 660 501 B 36 GLU H B 36 GLU HGy 1.0 . 4.04 661 502 B 36 GLU HGx B 40 LYS HDx 1.0 . 3.60 662 502 B 36 GLU HGy B 40 LYS HDx 1.0 . 3.60 663 502 B 40 LYS HDy B 36 GLU HGx 1.0 . 3.60 664 502 B 36 GLU HGy B 40 LYS HDy 1.0 . 3.60 665 503 B 36 GLU HGy B 40 LYS HEx 1.0 . 4.17 666 503 B 40 LYS HEy B 36 GLU HGx 1.0 . 4.17 667 503 B 36 GLU HGy B 40 LYS HEy 1.0 . 4.17 668 503 B 36 GLU HGx B 40 LYS HEx 1.0 . 4.17 669 504 B 37 GLU HA B 40 LYS HGx 1.0 . 4.22 670 505 B 37 GLU HA B 40 LYS HDx 1.0 . 3.52 671 505 B 40 LYS HDy B 37 GLU HA 1.0 . 3.52 672 506 B 37 GLU HA B 40 LYS HEx 1.0 . 4.77 673 506 B 40 LYS HEy B 37 GLU HA 1.0 . 4.77 674 507 B 37 GLU HBx B 38 ILE H 1.0 . 4.16 675 508 B 38 ILE HD11 B 37 GLU HBx 1.0 . 4.62 676 509 B 37 GLU HBx B 40 LYS HDx 1.0 . 5.50 677 509 B 37 GLU HBx B 40 LYS HDy 1.0 . 5.50 678 510 B 37 GLU HBy B 38 ILE H 1.0 . 4.16 679 511 B 38 ILE HD11 B 37 GLU HBy 1.0 . 4.62 680 512 B 37 GLU HBy B 40 LYS HDx 1.0 . 5.50 681 512 B 37 GLU HBy B 40 LYS HDy 1.0 . 5.50 682 513 B 37 GLU H B 38 ILE H 1.0 . 3.73 683 514 B 38 ILE HD11 B 37 GLU H 1.0 . 4.50 684 515 B 38 ILE HA B 37 GLU HGx 1.0 . 5.50 685 515 B 37 GLU HGy B 38 ILE HA 1.0 . 5.50 686 516 B 38 ILE HD11 B 37 GLU HGx 1.0 . 3.77 687 516 B 38 ILE HD11 B 37 GLU HGy 1.0 . 3.77 688 517 B 37 GLU HGx B 40 LYS HDx 1.0 . 5.50 689 517 B 37 GLU HGy B 40 LYS HDx 1.0 . 5.50 690 517 B 40 LYS HDy B 37 GLU HGx 1.0 . 5.50 691 517 B 37 GLU HGy B 40 LYS HDy 1.0 . 5.50 692 518 B 41 TYR HBx B 37 GLU HGx 1.0 . 4.46 693 518 B 41 TYR HBx B 37 GLU HGy 1.0 . 4.46 694 519 B 41 TYR HBy B 37 GLU HGx 1.0 . 4.90 695 519 B 41 TYR HBy B 37 GLU HGy 1.0 . 4.90 696 520 B 41 TYR HD% B 37 GLU HGx 1.0 . 3.94 697 520 B 41 TYR HD% B 37 GLU HGy 1.0 . 3.94 698 521 B 38 ILE HA B 41 TYR HA 1.0 . 5.50 699 522 B 38 ILE H B 38 ILE HG1y 1.0 . 2.92 700 523 B 38 ILE HD11 B 38 ILE H 1.0 . 3.31 701 524 B 39 ARG H B 38 ILE H 1.0 . 3.76 702 525 B 39 ARG H B 38 ILE HD11 1.0 . 3.73 703 526 B 39 ARG HA B 39 ARG HDx 1.0 . 4.67 704 527 B 39 ARG HA B 39 ARG HGy 1.0 . 4.14 705 528 B 39 ARG HA B 43 LEU H 1.0 . 5.50 706 529 B 39 ARG H B 39 ARG HBx 1.0 . 3.06 707 529 B 39 ARG H B 39 ARG HBy 1.0 . 3.06 708 530 B 39 ARG H B 40 LYS H 1.0 . 3.94 709 531 B 39 ARG HDx B 39 ARG HBx 1.0 . 3.48 710 531 B 39 ARG HBy B 39 ARG HDx 1.0 . 3.48 711 532 B 39 ARG HDy B 39 ARG HBx 1.0 . 3.48 712 532 B 39 ARG HBy B 39 ARG HDy 1.0 . 3.48 713 533 B 40 LYS H B 39 ARG HBx 1.0 . 2.92 714 533 B 39 ARG HBy B 40 LYS H 1.0 . 2.92 715 534 B 40 LYS HGx B 40 LYS HA 1.0 . 4.15 716 535 B 40 LYS HGx B 41 TYR H 1.0 . 5.08 717 536 B 41 TYR HA B 40 LYS HGy 1.0 . 4.60 718 537 B 41 TYR H B 40 LYS HGy 1.0 . 4.58 719 538 B 40 LYS HGx B 40 LYS H 1.0 . 3.91 720 539 B 40 LYS H B 40 LYS HBx 1.0 . 3.61 721 539 B 40 LYS H B 40 LYS HBy 1.0 . 3.61 722 540 B 40 LYS H B 41 TYR H 1.0 . 4.27 723 541 B 40 LYS HBy B 40 LYS HEx 1.0 . 5.50 724 541 B 40 LYS HBx B 40 LYS HEx 1.0 . 5.50 725 541 B 40 LYS HEy B 40 LYS HBx 1.0 . 5.50 726 541 B 40 LYS HEy B 40 LYS HBy 1.0 . 5.50 727 542 B 41 TYR HA B 40 LYS HBx 1.0 . 5.50 728 542 B 41 TYR HA B 40 LYS HBy 1.0 . 5.50 729 543 B 41 TYR H B 40 LYS HBx 1.0 . 3.51 730 543 B 41 TYR H B 40 LYS HBy 1.0 . 3.51 731 544 B 41 TYR HBy B 45 ASN HBx 1.0 . 5.50 732 545 B 41 TYR HBy B 45 ASN HBy 1.0 . 5.50 733 546 B 42 LEU H B 41 TYR H 1.0 . 3.85 734 547 B 42 LEU HA B 41 TYR HD% 1.0 . 5.50 735 548 B 42 LEU H B 41 TYR HD% 1.0 . 5.50 736 549 B 41 TYR HD% B 45 ASN HBx 1.0 . 4.93 737 550 B 41 TYR HD% B 45 ASN HBy 1.0 . 4.93 738 551 B 42 LEU HD11 B 42 LEU HA 1.0 . 3.90 739 552 B 42 LEU HD21 B 42 LEU HA 1.0 . 3.90 740 553 B 42 LEU HA B 43 LEU HA 1.0 . 4.91 741 554 B 42 LEU HA B 45 ASN HA 1.0 . 5.50 742 555 B 42 LEU HA B 45 ASN HBx 1.0 . 4.54 743 556 B 42 LEU HA B 45 ASN HBy 1.0 . 4.54 744 557 B 42 LEU HA B 45 ASN H 1.0 . 5.50 745 558 B 42 LEU H B 43 LEU H 1.0 . 3.73 746 559 B 42 LEU H B 44 LEU H 1.0 . 5.50 747 560 B 43 LEU HA B 43 LEU HG 1.0 . 3.57 748 561 B 43 LEU H B 44 LEU H 1.0 . 3.20 749 562 B 44 LEU HA B 44 LEU HD11 1.0 . 4.21 750 563 B 44 LEU HA B 44 LEU HD21 1.0 . 4.21 751 564 B 45 ASN HA B 44 LEU HA 1.0 . 5.00 752 565 B 44 LEU HA B 46 LYS H 1.0 . 5.50 753 566 B 45 ASN H B 44 LEU H 1.0 . 2.50 754 567 B 45 ASN HA B 46 LYS HA 1.0 . 5.30 755 568 B 45 ASN HA B 47 LYS HBx 1.0 . 5.50 756 568 B 47 LYS HBy B 45 ASN HA 1.0 . 5.50 757 569 B 45 ASN HA B 47 LYS HGx 1.0 . 5.50 758 569 B 47 LYS HGy B 45 ASN HA 1.0 . 5.50 759 570 B 45 ASN HBx B 46 LYS H 1.0 . 5.50 760 571 B 45 ASN HBx B 47 LYS HBx 1.0 . 5.50 761 571 B 47 LYS HBy B 45 ASN HBx 1.0 . 5.50 762 572 B 45 ASN HBy B 46 LYS HA 1.0 . 5.50 763 573 B 45 ASN HBy B 46 LYS H 1.0 . 5.50 764 574 B 45 ASN HBy B 47 LYS HBx 1.0 . 5.50 765 574 B 45 ASN HBy B 47 LYS HBy 1.0 . 5.50 766 575 B 45 ASN HBx B 45 ASN H 1.0 . 4.08 767 576 B 45 ASN HBy B 45 ASN H 1.0 . 4.08 768 577 B 47 LYS HA B 47 LYS HDx 1.0 . 4.66 769 577 B 47 LYS HA B 47 LYS HDy 1.0 . 4.66 770 578 B 47 LYS HA B 47 LYS HGx 1.0 . 3.98 771 578 B 47 LYS HGy B 47 LYS HA 1.0 . 3.98 772 579 B 48 SER H B 47 LYS HBx 1.0 . 3.01 773 579 B 47 LYS HBy B 48 SER H 1.0 . 3.01 774 580 B 47 LYS HDy B 47 LYS HGx 1.0 . 2.71 775 580 B 47 LYS HDx B 47 LYS HGx 1.0 . 2.71 776 580 B 47 LYS HGy B 47 LYS HDx 1.0 . 2.71 777 580 B 47 LYS HGy B 47 LYS HDy 1.0 . 2.71 778 581 B 48 SER H B 47 LYS HGx 1.0 . 4.52 779 581 B 47 LYS HGy B 48 SER H 1.0 . 4.52 780 582 B 49 ALA H B 49 ALA HB1 1.0 . 3.45 781 583 B 49 ALA HB1 B 50 HIS H 1.0 . 4.31 782 584 B 50 HIS HA B 51 PRO HDx 1.0 . 3.10 783 584 B 50 HIS HA B 51 PRO HDy 1.0 . 3.10 784 585 B 50 HIS H B 51 PRO HDx 1.0 . 5.50 785 585 B 50 HIS H B 51 PRO HDy 1.0 . 5.50 786 586 B 51 PRO HA B 52 GLY H 1.0 . 3.51 787 587 B 52 GLY H B 51 PRO HBx 1.0 . 3.98 788 588 B 52 GLY H B 51 PRO HBy 1.0 . 3.98 789 589 B 52 GLY HAy B 51 PRO HGx 1.0 . 5.50 790 589 B 51 PRO HGy B 52 GLY HAy 1.0 . 5.50 791 590 B 54 ALA H B 54 ALA HB1 1.0 . 3.49 792 591 B 54 ALA HB1 B 55 ALA H 1.0 . 3.82 793 592 B 55 ALA H B 55 ALA HB1 1.0 . 4.00 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 19 GLN C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -78.0 -52.0 PHI 2 2 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 TRP N 1.0 -47.6 -27.6 PSI 3 3 A 20 GLU C A 21 TRP N A 21 TRP CA A 21 TRP C 1.0 -76.7 -56.7 PHI 4 4 A 21 TRP N A 21 TRP CA A 21 TRP C A 22 VAL N 1.0 -57.0 -23.0 PSI 5 5 A 21 TRP C A 22 VAL N A 22 VAL CA A 22 VAL C 1.0 -85.0 -47.0 PHI 6 6 A 22 VAL N A 22 VAL CA A 22 VAL C A 23 GLU N 1.0 -57.7 -26.7 PSI 7 7 A 22 VAL C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -88.9 -40.9 PHI 8 8 A 23 GLU N A 23 GLU CA A 23 GLU C A 24 LEU N 1.0 -48.4 -28.4 PSI 9 9 A 23 GLU C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -84.2 -54.2 PHI 10 10 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 MET N 1.0 -48.5 -26.5 PSI 11 11 A 24 LEU C A 25 MET N A 25 MET CA A 25 MET C 1.0 -73.9 -53.9 PHI 12 12 A 25 MET N A 25 MET CA A 25 MET C A 26 VAL N 1.0 -53.0 -33.0 PSI 13 13 A 25 MET C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -80.9 -53.9 PHI 14 14 A 26 VAL N A 26 VAL CA A 26 VAL C A 27 GLU N 1.0 -54.7 -34.7 PSI 15 15 A 26 VAL C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -72.7 -52.7 PHI 16 16 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 ALA N 1.0 -52.5 -29.9 PSI 17 17 A 27 GLU C A 28 ALA N A 28 ALA CA A 28 ALA C 1.0 -75.2 -55.2 PHI 18 18 A 28 ALA N A 28 ALA CA A 28 ALA C A 29 LYS N 1.0 -52.1 -32.1 PSI 19 19 A 28 ALA C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -74.8 -54.8 PHI 20 20 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 GLU N 1.0 -50.7 -30.7 PSI 21 21 A 29 LYS C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -76.7 -56.7 PHI 22 22 A 30 GLU N A 30 GLU CA A 30 GLU C A 31 ALA N 1.0 -36.2 -13.2 PSI 23 23 A 30 GLU C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -102.1 -82.1 PHI 24 24 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 ASN N 1.0 -11.9 12.2 PSI 25 25 A 35 PRO C A 36 GLU N A 36 GLU CA A 36 GLU C 1.0 -74.9 -48.9 PHI 26 26 A 36 GLU N A 36 GLU CA A 36 GLU C A 37 GLU N 1.0 -47.3 -27.3 PSI 27 27 A 36 GLU C A 37 GLU N A 37 GLU CA A 37 GLU C 1.0 -74.6 -54.6 PHI 28 28 A 37 GLU N A 37 GLU CA A 37 GLU C A 38 ILE N 1.0 -55.1 -29.1 PSI 29 29 A 37 GLU C A 38 ILE N A 38 ILE CA A 38 ILE C 1.0 -78.8 -54.8 PHI 30 30 A 38 ILE N A 38 ILE CA A 38 ILE C A 39 ARG N 1.0 -50.7 -30.7 PSI 31 31 A 38 ILE C A 39 ARG N A 39 ARG CA A 39 ARG C 1.0 -73.3 -53.3 PHI 32 32 A 39 ARG N A 39 ARG CA A 39 ARG C A 40 LYS N 1.0 -53.1 -33.1 PSI 33 33 A 39 ARG C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -74.4 -54.4 PHI 34 34 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 TYR N 1.0 -50.0 -30.0 PSI 35 35 A 40 LYS C A 41 TYR N A 41 TYR CA A 41 TYR C 1.0 -71.0 -51.0 PHI 36 36 A 41 TYR N A 41 TYR CA A 41 TYR C A 42 LEU N 1.0 -53.3 -33.3 PSI 37 37 A 41 TYR C A 42 LEU N A 42 LEU CA A 42 LEU C 1.0 -87.6 -55.6 PHI 38 38 A 42 LEU N A 42 LEU CA A 42 LEU C A 43 LEU N 1.0 -45.6 -25.6 PSI 39 39 A 42 LEU C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -75.9 -55.9 PHI 40 40 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 LEU N 1.0 -45.7 -25.7 PSI 41 41 A 43 LEU C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -90.3 -50.8 PHI 42 42 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 ASN N 1.0 -50.0 -21.4 PSI 43 43 B 19 GLN C B 20 GLU N B 20 GLU CA B 20 GLU C 1.0 -78.0 -52.0 PHI 44 44 B 20 GLU N B 20 GLU CA B 20 GLU C B 21 TRP N 1.0 -47.6 -27.6 PSI 45 45 B 20 GLU C B 21 TRP N B 21 TRP CA B 21 TRP C 1.0 -76.7 -56.7 PHI 46 46 B 21 TRP N B 21 TRP CA B 21 TRP C B 22 VAL N 1.0 -58.0 -22.0 PSI 47 47 B 21 TRP C B 22 VAL N B 22 VAL CA B 22 VAL C 1.0 -85.0 -47.0 PHI 48 48 B 22 VAL N B 22 VAL CA B 22 VAL C B 23 GLU N 1.0 -57.7 -26.7 PSI 49 49 B 22 VAL C B 23 GLU N B 23 GLU CA B 23 GLU C 1.0 -88.9 -40.9 PHI 50 50 B 23 GLU N B 23 GLU CA B 23 GLU C B 24 LEU N 1.0 -48.4 -28.4 PSI 51 51 B 23 GLU C B 24 LEU N B 24 LEU CA B 24 LEU C 1.0 -81.2 -57.2 PHI 52 52 B 24 LEU N B 24 LEU CA B 24 LEU C B 25 MET N 1.0 -48.5 -26.5 PSI 53 53 B 24 LEU C B 25 MET N B 25 MET CA B 25 MET C 1.0 -73.9 -53.9 PHI 54 54 B 25 MET N B 25 MET CA B 25 MET C B 26 VAL N 1.0 -53.0 -33.0 PSI 55 55 B 25 MET C B 26 VAL N B 26 VAL CA B 26 VAL C 1.0 -80.9 -53.9 PHI 56 56 B 26 VAL N B 26 VAL CA B 26 VAL C B 27 GLU N 1.0 -54.7 -34.7 PSI 57 57 B 26 VAL C B 27 GLU N B 27 GLU CA B 27 GLU C 1.0 -72.7 -52.7 PHI 58 58 B 27 GLU N B 27 GLU CA B 27 GLU C B 28 ALA N 1.0 -52.5 -29.9 PSI 59 59 B 27 GLU C B 28 ALA N B 28 ALA CA B 28 ALA C 1.0 -75.2 -55.2 PHI 60 60 B 28 ALA N B 28 ALA CA B 28 ALA C B 29 LYS N 1.0 -52.1 -32.1 PSI 61 61 B 28 ALA C B 29 LYS N B 29 LYS CA B 29 LYS C 1.0 -74.8 -54.8 PHI 62 62 B 29 LYS N B 29 LYS CA B 29 LYS C B 30 GLU N 1.0 -50.7 -30.7 PSI 63 63 B 29 LYS C B 30 GLU N B 30 GLU CA B 30 GLU C 1.0 -76.7 -56.7 PHI 64 64 B 30 GLU N B 30 GLU CA B 30 GLU C B 31 ALA N 1.0 -36.2 -13.2 PSI 65 65 B 30 GLU C B 31 ALA N B 31 ALA CA B 31 ALA C 1.0 -103.1 -81.1 PHI 66 66 B 31 ALA N B 31 ALA CA B 31 ALA C B 32 ASN N 1.0 -11.9 12.2 PSI 67 67 B 35 PRO C B 36 GLU N B 36 GLU CA B 36 GLU C 1.0 -71.9 -51.9 PHI 68 68 B 36 GLU N B 36 GLU CA B 36 GLU C B 37 GLU N 1.0 -47.3 -27.3 PSI 69 69 B 36 GLU C B 37 GLU N B 37 GLU CA B 37 GLU C 1.0 -74.6 -54.6 PHI 70 70 B 37 GLU N B 37 GLU CA B 37 GLU C B 38 ILE N 1.0 -55.1 -29.1 PSI 71 71 B 37 GLU C B 38 ILE N B 38 ILE CA B 38 ILE C 1.0 -78.8 -54.8 PHI 72 72 B 38 ILE N B 38 ILE CA B 38 ILE C B 39 ARG N 1.0 -50.7 -30.7 PSI 73 73 B 38 ILE C B 39 ARG N B 39 ARG CA B 39 ARG C 1.0 -73.3 -53.3 PHI 74 74 B 39 ARG N B 39 ARG CA B 39 ARG C B 40 LYS N 1.0 -53.1 -33.1 PSI 75 75 B 39 ARG C B 40 LYS N B 40 LYS CA B 40 LYS C 1.0 -74.4 -54.4 PHI 76 76 B 40 LYS N B 40 LYS CA B 40 LYS C B 41 TYR N 1.0 -50.0 -30.0 PSI 77 77 B 40 LYS C B 41 TYR N B 41 TYR CA B 41 TYR C 1.0 -71.0 -51.0 PHI 78 78 B 41 TYR N B 41 TYR CA B 41 TYR C B 42 LEU N 1.0 -53.3 -33.3 PSI 79 79 B 41 TYR C B 42 LEU N B 42 LEU CA B 42 LEU C 1.0 -88.6 -53.6 PHI 80 80 B 42 LEU N B 42 LEU CA B 42 LEU C B 43 LEU N 1.0 -45.6 -25.6 PSI 81 81 B 42 LEU C B 43 LEU N B 43 LEU CA B 43 LEU C 1.0 -75.9 -55.9 PHI 82 82 B 43 LEU N B 43 LEU CA B 43 LEU C B 44 LEU N 1.0 -45.7 -25.7 PSI 83 83 B 43 LEU C B 44 LEU N B 44 LEU CA B 44 LEU C 1.0 -90.3 -50.8 PHI 84 84 B 44 LEU N B 44 LEU CA B 44 LEU C B 45 ASN N 1.0 -53.0 -18.4 PSI stop_ save_