data_nef_c30194_5tn2 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 30192 BMRB 30193 PDB 5TN2 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 . true 3 A 3 HIS middle . . 4 A 4 MET middle . . 5 A 5 GLU middle . . 6 A 6 TYR middle . true 7 A 7 ASP middle . . 8 A 8 GLY middle . false 9 A 9 GLN middle . . 10 A 10 LEU middle . . 11 A 11 ASP middle . . 12 A 12 SER middle . . 13 A 13 GLU middle . . 14 A 14 TRP middle . . 15 A 15 GLU middle . . 16 A 16 LYS middle . . 17 A 17 LEU middle . . 18 A 18 VAL middle . . 19 A 19 ARG middle . . 20 A 20 ASP middle . . 21 A 21 ALA middle . . 22 A 22 MET middle . . 23 A 23 THR middle . . 24 A 24 SER middle . . 25 A 25 GLY middle . false 26 A 26 VAL middle . . 27 A 27 SER middle . . 28 A 28 LYS middle . . 29 A 29 LYS middle . . 30 A 30 GLN middle . . 31 A 31 PHE middle . . 32 A 32 ARG middle . . 33 A 33 GLU middle . . 34 A 34 PHE middle . . 35 A 35 LEU middle . . 36 A 36 ASP middle . . 37 A 37 TYR middle . . 38 A 38 GLN middle . . 39 A 39 LYS middle . . 40 A 40 TRP middle . . 41 A 41 ARG middle . . 42 A 42 LYS middle . . 43 A 43 SER middle . . 44 A 44 GLN middle . . 45 A 45 LYS middle . . 46 A 46 GLU middle . . 47 A 47 GLU end . . 48 B 1 GLY start . false 49 B 2 SER middle . . 50 B 3 HIS middle . . 51 B 4 MET middle . . 52 B 5 GLU middle . . 53 B 6 TYR middle . . 54 B 7 ASP middle . . 55 B 8 GLY middle . false 56 B 9 GLN middle . . 57 B 10 LEU middle . . 58 B 11 ASP middle . . 59 B 12 SER middle . . 60 B 13 GLU middle . . 61 B 14 TRP middle . . 62 B 15 GLU middle . . 63 B 16 LYS middle . . 64 B 17 LEU middle . . 65 B 18 VAL middle . . 66 B 19 ARG middle . . 67 B 20 ASP middle . . 68 B 21 ALA middle . . 69 B 22 MET middle . . 70 B 23 THR middle . . 71 B 24 SER middle . . 72 B 25 GLY middle . false 73 B 26 VAL middle . . 74 B 27 SER middle . . 75 B 28 LYS middle . . 76 B 29 LYS middle . . 77 B 30 GLN middle . . 78 B 31 PHE middle . . 79 B 32 ARG middle . . 80 B 33 GLU middle . . 81 B 34 PHE middle . . 82 B 35 LEU middle . . 83 B 36 ASP middle . . 84 B 37 TYR middle . . 85 B 38 GLN middle . . 86 B 39 LYS middle . . 87 B 40 TRP middle . . 88 B 41 ARG middle . . 89 B 42 LYS middle . . 90 B 43 SER middle . . 91 B 44 GLN middle . . 92 B 45 LYS middle . . 93 B 46 GLU middle . . 94 B 47 GLU end . . 95 C 1 GLY start . false 96 C 2 SER middle . . 97 C 3 HIS middle . . 98 C 4 MET middle . . 99 C 5 GLU middle . . 100 C 6 TYR middle . . 101 C 7 ASP middle . . 102 C 8 GLY middle . false 103 C 9 GLN middle . . 104 C 10 LEU middle . . 105 C 11 ASP middle . . 106 C 12 SER middle . . 107 C 13 GLU middle . . 108 C 14 TRP middle . . 109 C 15 GLU middle . . 110 C 16 LYS middle . . 111 C 17 LEU middle . . 112 C 18 VAL middle . . 113 C 19 ARG middle . . 114 C 20 ASP middle . . 115 C 21 ALA middle . . 116 C 22 MET middle . . 117 C 23 THR middle . . 118 C 24 SER middle . . 119 C 25 GLY middle . false 120 C 26 VAL middle . . 121 C 27 SER middle . . 122 C 28 LYS middle . . 123 C 29 LYS middle . . 124 C 30 GLN middle . . 125 C 31 PHE middle . . 126 C 32 ARG middle . . 127 C 33 GLU middle . . 128 C 34 PHE middle . . 129 C 35 LEU middle . . 130 C 36 ASP middle . . 131 C 37 TYR middle . . 132 C 38 GLN middle . . 133 C 39 LYS middle . . 134 C 40 TRP middle . . 135 C 41 ARG middle . . 136 C 42 LYS middle . . 137 C 43 SER middle . . 138 C 44 GLN middle . . 139 C 45 LYS middle . . 140 C 46 GLU middle . . 141 C 47 GLU end . . 142 D 1 GLY start . false 143 D 2 SER middle . . 144 D 3 HIS middle . . 145 D 4 MET middle . . 146 D 5 GLU middle . . 147 D 6 TYR middle . . 148 D 7 ASP middle . . 149 D 8 GLY middle . false 150 D 9 GLN middle . . 151 D 10 LEU middle . . 152 D 11 ASP middle . . 153 D 12 SER middle . . 154 D 13 GLU middle . . 155 D 14 TRP middle . . 156 D 15 GLU middle . . 157 D 16 LYS middle . . 158 D 17 LEU middle . . 159 D 18 VAL middle . . 160 D 19 ARG middle . . 161 D 20 ASP middle . . 162 D 21 ALA middle . . 163 D 22 MET middle . . 164 D 23 THR middle . . 165 D 24 SER middle . . 166 D 25 GLY middle . false 167 D 26 VAL middle . . 168 D 27 SER middle . . 169 D 28 LYS middle . . 170 D 29 LYS middle . . 171 D 30 GLN middle . . 172 D 31 PHE middle . . 173 D 32 ARG middle . . 174 D 33 GLU middle . . 175 D 34 PHE middle . . 176 D 35 LEU middle . . 177 D 36 ASP middle . . 178 D 37 TYR middle . . 179 D 38 GLN middle . . 180 D 39 LYS middle . . 181 D 40 TRP middle . . 182 D 41 ARG middle . . 183 D 42 LYS middle . . 184 D 43 SER middle . . 185 D 44 GLN middle . . 186 D 45 LYS middle . . 187 D 46 GLU middle . . 188 D 47 GLU end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 SER C C 13 176.1600 0.5 A 2 SER CA C 13 63.9000 0.5 A 2 SER CB C 13 64.1300 0.5 A 3 HIS H H 1 7.9960 0.04 A 3 HIS HA H 1 4.8500 0.04 A 3 HIS HB2 H 1 3.3000 0.04 A 3 HIS HB3 H 1 3.3710 0.04 A 3 HIS HD2 H 1 7.3400 0.04 A 3 HIS HE1 H 1 8.4050 0.04 A 3 HIS CA C 13 56.1750 0.5 A 3 HIS CB C 13 30.4000 0.5 A 3 HIS CD2 C 13 120.3500 0.5 A 3 HIS CE1 C 13 137.6950 0.5 A 3 HIS N N 15 127.1580 0.5 A 4 MET H H 1 8.4740 0.04 A 4 MET HA H 1 4.4650 0.04 A 4 MET HB2 H 1 2.0680 0.04 A 4 MET HB3 H 1 2.1350 0.04 A 4 MET HE% H 1 2.2300 0.04 A 4 MET C C 13 176.3200 0.5 A 4 MET CA C 13 56.4410 0.5 A 4 MET CB C 13 33.3160 0.5 A 4 MET CE C 13 17.5500 0.5 A 4 MET N N 15 122.5420 0.5 A 5 GLU H H 1 8.3750 0.04 A 5 GLU HA H 1 4.4250 0.04 A 5 GLU HB2 H 1 2.0200 0.04 A 5 GLU HB3 H 1 2.1360 0.04 A 5 GLU HG2 H 1 2.3600 0.04 A 5 GLU HG3 H 1 2.4070 0.04 A 5 GLU C C 13 176.2600 0.5 A 5 GLU CA C 13 56.6210 0.5 A 5 GLU CB C 13 30.7300 0.5 A 5 GLU CG C 13 36.7400 0.5 A 5 GLU N N 15 123.0790 0.5 A 6 TYR H H 1 8.2610 0.04 A 6 TYR HA H 1 4.7300 0.04 A 6 TYR HB2 H 1 3.1100 0.04 A 6 TYR HB3 H 1 3.2000 0.04 A 6 TYR HDx H 1 7.2950 0.04 A 6 TYR HDy H 1 7.2950 0.04 A 6 TYR HEx H 1 6.9800 0.04 A 6 TYR HEy H 1 6.9800 0.04 A 6 TYR C C 13 175.6700 0.5 A 6 TYR CA C 13 58.0000 0.5 A 6 TYR CB C 13 39.5000 0.5 A 6 TYR CD1 C 13 133.5930 0.5 A 6 TYR CD2 C 13 133.5930 0.5 A 6 TYR CE1 C 13 118.4740 0.5 A 6 TYR CE2 C 13 118.4740 0.5 A 6 TYR N N 15 121.2530 0.5 A 7 ASP H H 1 8.3760 0.04 A 7 ASP HA H 1 4.7430 0.04 A 7 ASP HBx H 1 2.8100 0.04 A 7 ASP HBy H 1 2.8100 0.04 A 7 ASP C C 13 176.7100 0.5 A 7 ASP CA C 13 54.4000 0.5 A 7 ASP CB C 13 41.6490 0.5 A 7 ASP N N 15 123.4010 0.5 A 8 GLY H H 1 7.7850 0.04 A 8 GLY HAx H 1 4.1660 0.04 A 8 GLY HAy H 1 4.1660 0.04 A 8 GLY C C 13 174.1300 0.5 A 8 GLY CA C 13 46.0000 0.5 A 8 GLY N N 15 109.0920 0.5 A 9 GLN H H 1 8.2510 0.04 A 9 GLN HA H 1 4.4700 0.04 A 9 GLN HB2 H 1 2.1200 0.04 A 9 GLN HB3 H 1 2.2640 0.04 A 9 GLN HE21 H 1 7.7000 0.04 A 9 GLN HE22 H 1 6.9430 0.04 A 9 GLN HGx H 1 2.5200 0.04 A 9 GLN HGy H 1 2.5200 0.04 A 9 GLN C C 13 176.4400 0.5 A 9 GLN CA C 13 56.6200 0.5 A 9 GLN CB C 13 30.4500 0.5 A 9 GLN CD C 13 180.0530 0.5 A 9 GLN CG C 13 34.3000 0.5 A 9 GLN N N 15 120.1930 0.5 A 9 GLN NE2 N 15 112.9560 0.5 A 10 LEU H H 1 8.6830 0.04 A 10 LEU HA H 1 4.4110 0.04 A 10 LEU HB2 H 1 1.6940 0.04 A 10 LEU HB3 H 1 1.9530 0.04 A 10 LEU HDx% H 1 1.0350 0.04 A 10 LEU HDy% H 1 0.9280 0.04 A 10 LEU HG H 1 1.9120 0.04 A 10 LEU C C 13 176.9100 0.5 A 10 LEU CA C 13 55.7130 0.5 A 10 LEU CB C 13 43.1020 0.5 A 10 LEU CD1 C 13 26.3740 0.5 A 10 LEU CD2 C 13 24.3160 0.5 A 10 LEU CG C 13 27.9180 0.5 A 10 LEU N N 15 123.7980 0.5 A 11 ASP H H 1 7.9100 0.04 A 11 ASP HA H 1 4.8300 0.04 A 11 ASP HB2 H 1 3.1100 0.04 A 11 ASP HB3 H 1 3.3200 0.04 A 11 ASP C C 13 176.7300 0.5 A 11 ASP CA C 13 54.1500 0.5 A 11 ASP CB C 13 42.8000 0.5 A 11 ASP N N 15 122.6910 0.5 A 12 SER H H 1 8.8450 0.04 A 12 SER HA H 1 4.4600 0.04 A 12 SER HBx H 1 4.1450 0.04 A 12 SER HBy H 1 4.1450 0.04 A 12 SER C C 13 176.9700 0.5 A 12 SER CA C 13 62.2660 0.5 A 12 SER CB C 13 63.6400 0.5 A 12 SER N N 15 119.0540 0.5 A 13 GLU H H 1 8.4340 0.04 A 13 GLU HA H 1 4.2900 0.04 A 13 GLU HB2 H 1 1.9300 0.04 A 13 GLU HB3 H 1 2.1440 0.04 A 13 GLU HG2 H 1 2.2600 0.04 A 13 GLU HG3 H 1 2.5400 0.04 A 13 GLU C C 13 179.9250 0.5 A 13 GLU CA C 13 59.5660 0.5 A 13 GLU CB C 13 29.9440 0.5 A 13 GLU CG C 13 37.0000 0.5 A 13 GLU N N 15 123.3880 0.5 A 14 TRP H H 1 8.6850 0.04 A 14 TRP HA H 1 4.7200 0.04 A 14 TRP HB2 H 1 3.3800 0.04 A 14 TRP HB3 H 1 3.4170 0.04 A 14 TRP HD1 H 1 7.5460 0.04 A 14 TRP HE1 H 1 10.4110 0.04 A 14 TRP HE3 H 1 7.5550 0.04 A 14 TRP HZ2 H 1 7.5340 0.04 A 14 TRP C C 13 179.1000 0.5 A 14 TRP CA C 13 62.1000 0.5 A 14 TRP CB C 13 31.3000 0.5 A 14 TRP CD1 C 13 127.3810 0.5 A 14 TRP CE3 C 13 120.8180 0.5 A 14 TRP CZ2 C 13 114.4900 0.5 A 14 TRP N N 15 121.4110 0.5 A 14 TRP NE1 N 15 129.0790 0.5 A 15 GLU H H 1 8.7530 0.04 A 15 GLU HA H 1 3.9720 0.04 A 15 GLU HBx H 1 2.2760 0.04 A 15 GLU HBy H 1 2.2760 0.04 A 15 GLU HG2 H 1 2.2780 0.04 A 15 GLU HG3 H 1 2.5240 0.04 A 15 GLU C C 13 178.1000 0.5 A 15 GLU CA C 13 61.1110 0.5 A 15 GLU CB C 13 30.0000 0.5 A 15 GLU CG C 13 37.2850 0.5 A 15 GLU N N 15 118.9490 0.5 A 16 LYS H H 1 7.8600 0.04 A 16 LYS HA H 1 4.1090 0.04 A 16 LYS HBx H 1 2.1540 0.04 A 16 LYS HBy H 1 2.1540 0.04 A 16 LYS HDx H 1 1.8790 0.04 A 16 LYS HDy H 1 1.8790 0.04 A 16 LYS HEx H 1 3.1590 0.04 A 16 LYS HEy H 1 3.1590 0.04 A 16 LYS HG2 H 1 1.6380 0.04 A 16 LYS HG3 H 1 1.7810 0.04 A 16 LYS C C 13 179.1500 0.5 A 16 LYS CA C 13 60.6020 0.5 A 16 LYS CB C 13 33.0660 0.5 A 16 LYS CD C 13 29.9770 0.5 A 16 LYS CE C 13 42.5880 0.5 A 16 LYS CG C 13 26.1170 0.5 A 16 LYS N N 15 119.2640 0.5 A 17 LEU H H 1 7.9150 0.04 A 17 LEU HA H 1 4.2710 0.04 A 17 LEU HB2 H 1 1.6980 0.04 A 17 LEU HB3 H 1 2.3640 0.04 A 17 LEU HDx% H 1 0.7790 0.04 A 17 LEU HDy% H 1 1.0840 0.04 A 17 LEU HG H 1 1.9660 0.04 A 17 LEU C C 13 179.1500 0.5 A 17 LEU CA C 13 58.8010 0.5 A 17 LEU CB C 13 42.3300 0.5 A 17 LEU CD1 C 13 26.3740 0.5 A 17 LEU CD2 C 13 24.3160 0.5 A 17 LEU CG C 13 28.4330 0.5 A 17 LEU N N 15 120.5860 0.5 A 18 VAL H H 1 8.4800 0.04 A 18 VAL HA H 1 3.5520 0.04 A 18 VAL HB H 1 2.2760 0.04 A 18 VAL HGx% H 1 0.8190 0.04 A 18 VAL HGy% H 1 1.1270 0.04 A 18 VAL C C 13 177.5900 0.5 A 18 VAL CA C 13 67.3780 0.5 A 18 VAL CB C 13 31.1880 0.5 A 18 VAL CG1 C 13 23.6400 0.5 A 18 VAL CG2 C 13 24.6590 0.5 A 18 VAL N N 15 119.6560 0.5 A 19 ARG H H 1 8.4000 0.04 A 19 ARG HA H 1 4.1000 0.04 A 19 ARG HBx H 1 2.0230 0.04 A 19 ARG HBy H 1 2.0230 0.04 A 19 ARG HD2 H 1 3.1900 0.04 A 19 ARG HD3 H 1 3.3000 0.04 A 19 ARG HE H 1 7.7000 0.04 A 19 ARG HGx H 1 1.9250 0.04 A 19 ARG HGy H 1 1.9250 0.04 A 19 ARG C C 13 179.4700 0.5 A 19 ARG CA C 13 60.7000 0.5 A 19 ARG CB C 13 29.9000 0.5 A 19 ARG CD C 13 43.8400 0.5 A 19 ARG CG C 13 29.1900 0.5 A 19 ARG N N 15 120.9910 0.5 A 19 ARG NE N 15 92.6210 0.5 A 20 ASP H H 1 8.4440 0.04 A 20 ASP HA H 1 4.5020 0.04 A 20 ASP HB2 H 1 2.8800 0.04 A 20 ASP HB3 H 1 2.9860 0.04 A 20 ASP C C 13 179.2500 0.5 A 20 ASP CA C 13 57.2000 0.5 A 20 ASP CB C 13 40.8000 0.5 A 20 ASP N N 15 121.8250 0.5 A 21 ALA H H 1 8.5100 0.04 A 21 ALA HA H 1 3.8710 0.04 A 21 ALA HB% H 1 1.2300 0.04 A 21 ALA C C 13 179.8600 0.5 A 21 ALA CA C 13 55.8750 0.5 A 21 ALA CB C 13 17.6000 0.5 A 21 ALA N N 15 125.0350 0.5 A 22 MET H H 1 8.5880 0.04 A 22 MET HA H 1 4.1000 0.04 A 22 MET HB2 H 1 2.1100 0.04 A 22 MET HB3 H 1 2.2200 0.04 A 22 MET HE% H 1 2.0340 0.04 A 22 MET HG2 H 1 2.4250 0.04 A 22 MET HG3 H 1 2.5900 0.04 A 22 MET C C 13 179.9500 0.5 A 22 MET CA C 13 59.9500 0.5 A 22 MET CB C 13 34.1000 0.5 A 22 MET CE C 13 16.7210 0.5 A 22 MET CG C 13 31.6210 0.5 A 22 MET N N 15 118.2100 0.5 A 23 THR H H 1 8.3800 0.04 A 23 THR HA H 1 4.3050 0.04 A 23 THR HB H 1 4.5450 0.04 A 23 THR HG2% H 1 1.4620 0.04 A 23 THR C C 13 176.4100 0.5 A 23 THR CA C 13 65.2000 0.5 A 23 THR CB C 13 69.7000 0.5 A 23 THR CG2 C 13 22.2500 0.5 A 23 THR N N 15 113.8150 0.5 A 24 SER H H 1 8.0300 0.04 A 24 SER HA H 1 4.5640 0.04 A 24 SER HB2 H 1 4.0200 0.04 A 24 SER HB3 H 1 4.1490 0.04 A 24 SER C C 13 174.7200 0.5 A 24 SER CA C 13 60.3000 0.5 A 24 SER CB C 13 64.4000 0.5 A 24 SER N N 15 116.5370 0.5 A 25 GLY H H 1 7.8690 0.04 A 25 GLY HA2 H 1 4.0100 0.04 A 25 GLY HA3 H 1 4.2800 0.04 A 25 GLY C C 13 175.0300 0.5 A 25 GLY CA C 13 46.2330 0.5 A 25 GLY N N 15 109.0580 0.5 A 26 VAL H H 1 8.0380 0.04 A 26 VAL HA H 1 4.3000 0.04 A 26 VAL HB H 1 2.2700 0.04 A 26 VAL HGx% H 1 1.3500 0.04 A 26 VAL HGy% H 1 1.0600 0.04 A 26 VAL C C 13 175.8300 0.5 A 26 VAL CA C 13 62.8990 0.5 A 26 VAL CB C 13 32.5000 0.5 A 26 VAL CG1 C 13 22.3140 0.5 A 26 VAL CG2 C 13 22.1000 0.5 A 26 VAL N N 15 121.3590 0.5 A 27 SER H H 1 8.8170 0.04 A 27 SER HA H 1 4.9450 0.04 A 27 SER HB2 H 1 4.2350 0.04 A 27 SER HB3 H 1 4.5800 0.04 A 27 SER C C 13 175.8650 0.5 A 27 SER CA C 13 57.8000 0.5 A 27 SER CB C 13 65.8300 0.5 A 27 SER N N 15 122.1750 0.5 A 28 LYS H H 1 8.8350 0.04 A 28 LYS HA H 1 4.1700 0.04 A 28 LYS C C 13 179.1400 0.5 A 28 LYS CA C 13 59.0000 0.5 A 28 LYS CB C 13 32.5140 0.5 A 28 LYS N N 15 125.4470 0.5 A 29 LYS H H 1 8.1080 0.04 A 29 LYS HA H 1 4.1800 0.04 A 29 LYS HB2 H 1 1.9940 0.04 A 29 LYS HB3 H 1 2.1000 0.04 A 29 LYS HDx H 1 1.8950 0.04 A 29 LYS HDy H 1 1.8950 0.04 A 29 LYS HEx H 1 3.2160 0.04 A 29 LYS HEy H 1 3.2160 0.04 A 29 LYS HG2 H 1 1.6110 0.04 A 29 LYS HG3 H 1 1.6960 0.04 A 29 LYS C C 13 179.2700 0.5 A 29 LYS CA C 13 60.2000 0.5 A 29 LYS CB C 13 33.5800 0.5 A 29 LYS CD C 13 30.2350 0.5 A 29 LYS CE C 13 42.5880 0.5 A 29 LYS CG C 13 25.8600 0.5 A 29 LYS N N 15 119.6470 0.5 A 30 GLN H H 1 8.1550 0.04 A 30 GLN HA H 1 4.4450 0.04 A 30 GLN HB2 H 1 2.4170 0.04 A 30 GLN HB3 H 1 2.6790 0.04 A 30 GLN HE21 H 1 7.8110 0.04 A 30 GLN HE22 H 1 6.9450 0.04 A 30 GLN HGx H 1 2.7640 0.04 A 30 GLN HGy H 1 2.7640 0.04 A 30 GLN C C 13 179.5300 0.5 A 30 GLN CA C 13 59.5660 0.5 A 30 GLN CB C 13 29.6130 0.5 A 30 GLN CD C 13 179.9330 0.5 A 30 GLN CG C 13 35.8300 0.5 A 30 GLN N N 15 118.9380 0.5 A 30 GLN NE2 N 15 112.3750 0.5 A 31 PHE H H 1 8.4420 0.04 A 31 PHE HA H 1 4.4700 0.04 A 31 PHE HB2 H 1 3.4450 0.04 A 31 PHE HB3 H 1 3.5000 0.04 A 31 PHE HDx H 1 7.2330 0.04 A 31 PHE HDy H 1 7.2330 0.04 A 31 PHE HEx H 1 7.3600 0.04 A 31 PHE HEy H 1 7.3600 0.04 A 31 PHE HZ H 1 6.8780 0.04 A 31 PHE C C 13 177.0500 0.5 A 31 PHE CA C 13 61.5000 0.5 A 31 PHE CB C 13 40.4000 0.5 A 31 PHE CD1 C 13 130.7800 0.5 A 31 PHE CD2 C 13 130.7800 0.5 A 31 PHE CZ C 13 132.7730 0.5 A 31 PHE N N 15 121.4500 0.5 A 32 ARG H H 1 8.7990 0.04 A 32 ARG HA H 1 4.0200 0.04 A 32 ARG HB2 H 1 2.1350 0.04 A 32 ARG HB3 H 1 2.2650 0.04 A 32 ARG HD2 H 1 3.3450 0.04 A 32 ARG HD3 H 1 3.4650 0.04 A 32 ARG HE H 1 7.4500 0.04 A 32 ARG HG2 H 1 1.8800 0.04 A 32 ARG HG3 H 1 1.9500 0.04 A 32 ARG C C 13 177.9400 0.5 A 32 ARG CA C 13 60.2590 0.5 A 32 ARG CB C 13 30.0570 0.5 A 32 ARG CD C 13 43.4520 0.5 A 32 ARG CG C 13 27.5400 0.5 A 32 ARG N N 15 120.5890 0.5 A 32 ARG NE N 15 89.4260 0.5 A 33 GLU H H 1 8.2260 0.04 A 33 GLU HA H 1 4.4430 0.04 A 33 GLU HBx H 1 2.4800 0.04 A 33 GLU HBy H 1 2.4800 0.04 A 33 GLU HG2 H 1 2.6900 0.04 A 33 GLU HG3 H 1 2.8450 0.04 A 33 GLU C C 13 178.5900 0.5 A 33 GLU CA C 13 60.4000 0.5 A 33 GLU CB C 13 30.3000 0.5 A 33 GLU CG C 13 37.5500 0.5 A 33 GLU N N 15 119.4190 0.5 A 34 PHE H H 1 7.8890 0.04 A 34 PHE HA H 1 4.7830 0.04 A 34 PHE HB2 H 1 3.1100 0.04 A 34 PHE HB3 H 1 3.2000 0.04 A 34 PHE HDx H 1 7.2890 0.04 A 34 PHE HDy H 1 7.2890 0.04 A 34 PHE C C 13 177.2900 0.5 A 34 PHE CA C 13 57.6500 0.5 A 34 PHE CB C 13 39.5660 0.5 A 34 PHE CD1 C 13 133.2410 0.5 A 34 PHE CD2 C 13 133.2410 0.5 A 34 PHE N N 15 121.6700 0.5 A 35 LEU H H 1 8.5500 0.04 A 35 LEU HA H 1 3.7950 0.04 A 35 LEU HB2 H 1 1.7470 0.04 A 35 LEU HB3 H 1 1.8650 0.04 A 35 LEU HG H 1 1.7500 0.04 A 35 LEU C C 13 178.9900 0.5 A 35 LEU CA C 13 58.5440 0.5 A 35 LEU CB C 13 42.3300 0.5 A 35 LEU CD1 C 13 25.3450 0.5 A 35 LEU CD2 C 13 25.3450 0.5 A 35 LEU CG C 13 27.4040 0.5 A 35 LEU N N 15 120.7710 0.5 A 36 ASP H H 1 8.8080 0.04 A 36 ASP HA H 1 4.5550 0.04 A 36 ASP HB2 H 1 3.0500 0.04 A 36 ASP HB3 H 1 3.2450 0.04 A 36 ASP C C 13 179.2850 0.5 A 36 ASP CA C 13 58.1300 0.5 A 36 ASP CB C 13 40.6870 0.5 A 36 ASP N N 15 121.6380 0.5 A 37 TYR H H 1 8.0890 0.04 A 37 TYR HA H 1 3.5830 0.04 A 37 TYR HB2 H 1 2.4900 0.04 A 37 TYR HB3 H 1 2.8380 0.04 A 37 TYR HDx H 1 6.3400 0.04 A 37 TYR HDy H 1 6.3400 0.04 A 37 TYR HEx H 1 6.8640 0.04 A 37 TYR HEy H 1 6.8640 0.04 A 37 TYR C C 13 177.3100 0.5 A 37 TYR CA C 13 60.3400 0.5 A 37 TYR CB C 13 37.4250 0.5 A 37 TYR CD1 C 13 133.7100 0.5 A 37 TYR CD2 C 13 133.7100 0.5 A 37 TYR CE1 C 13 118.0060 0.5 A 37 TYR CE2 C 13 118.0060 0.5 A 37 TYR N N 15 123.1820 0.5 A 38 GLN H H 1 8.0800 0.04 A 38 GLN HA H 1 3.5510 0.04 A 38 GLN HB2 H 1 1.8400 0.04 A 38 GLN HB3 H 1 2.1150 0.04 A 38 GLN HE21 H 1 7.2940 0.04 A 38 GLN HE22 H 1 6.0740 0.04 A 38 GLN HG2 H 1 1.7290 0.04 A 38 GLN HG3 H 1 1.9620 0.04 A 38 GLN C C 13 179.4100 0.5 A 38 GLN CA C 13 58.1000 0.5 A 38 GLN CB C 13 27.3500 0.5 A 38 GLN CD C 13 178.1010 0.5 A 38 GLN CG C 13 33.3000 0.5 A 38 GLN N N 15 117.7910 0.5 A 38 GLN NE2 N 15 113.6820 0.5 A 39 LYS H H 1 8.5650 0.04 A 39 LYS HA H 1 4.0010 0.04 A 39 LYS HBx H 1 2.1120 0.04 A 39 LYS HBy H 1 2.1120 0.04 A 39 LYS HDx H 1 1.8710 0.04 A 39 LYS HDy H 1 1.8710 0.04 A 39 LYS HE2 H 1 3.0790 0.04 A 39 LYS HE3 H 1 3.1430 0.04 A 39 LYS HG2 H 1 1.5620 0.04 A 39 LYS HG3 H 1 1.8170 0.04 A 39 LYS C C 13 175.6500 0.5 A 39 LYS CA C 13 60.8600 0.5 A 39 LYS CB C 13 33.0660 0.5 A 39 LYS CD C 13 30.2350 0.5 A 39 LYS CE C 13 42.0730 0.5 A 39 LYS CG C 13 26.3740 0.5 A 39 LYS N N 15 120.4400 0.5 A 40 TRP H H 1 8.0780 0.04 A 40 TRP HA H 1 4.0690 0.04 A 40 TRP HB2 H 1 3.2100 0.04 A 40 TRP HB3 H 1 3.4500 0.04 A 40 TRP HD1 H 1 7.4500 0.04 A 40 TRP HE1 H 1 9.8080 0.04 A 40 TRP HE3 H 1 7.2350 0.04 A 40 TRP HH2 H 1 6.5000 0.04 A 40 TRP HZ2 H 1 7.6660 0.04 A 40 TRP HZ3 H 1 6.4970 0.04 A 40 TRP C C 13 179.3400 0.5 A 40 TRP CA C 13 61.9000 0.5 A 40 TRP CB C 13 28.3160 0.5 A 40 TRP CD1 C 13 125.1550 0.5 A 40 TRP CE3 C 13 121.9900 0.5 A 40 TRP CH2 C 13 121.6390 0.5 A 40 TRP CZ2 C 13 115.5000 0.5 A 40 TRP CZ3 C 13 121.2870 0.5 A 40 TRP N N 15 123.3770 0.5 A 40 TRP NE1 N 15 129.8050 0.5 A 41 ARG H H 1 8.6620 0.04 A 41 ARG HA H 1 3.2800 0.04 A 41 ARG HB2 H 1 1.6380 0.04 A 41 ARG HB3 H 1 1.6830 0.04 A 41 ARG HD2 H 1 2.9780 0.04 A 41 ARG HD3 H 1 3.0320 0.04 A 41 ARG HE H 1 7.4950 0.04 A 41 ARG HGx H 1 1.4700 0.04 A 41 ARG HGy H 1 1.4700 0.04 A 41 ARG C C 13 179.0100 0.5 A 41 ARG CA C 13 59.5600 0.5 A 41 ARG CB C 13 30.0590 0.5 A 41 ARG CD C 13 43.3160 0.5 A 41 ARG CG C 13 27.3000 0.5 A 41 ARG N N 15 120.8710 0.5 A 41 ARG NE N 15 93.3480 0.5 A 42 LYS H H 1 7.6960 0.04 A 42 LYS HA H 1 4.1800 0.04 A 42 LYS HBx H 1 2.0340 0.04 A 42 LYS HBy H 1 2.0340 0.04 A 42 LYS HDx H 1 1.8520 0.04 A 42 LYS HDy H 1 1.8520 0.04 A 42 LYS HEx H 1 3.1990 0.04 A 42 LYS HEy H 1 3.1990 0.04 A 42 LYS HG2 H 1 1.6550 0.04 A 42 LYS HG3 H 1 1.7000 0.04 A 42 LYS C C 13 177.8200 0.5 A 42 LYS CA C 13 58.8010 0.5 A 42 LYS CB C 13 32.8080 0.5 A 42 LYS CD C 13 29.7200 0.5 A 42 LYS CE C 13 42.5880 0.5 A 42 LYS CG C 13 25.3450 0.5 A 42 LYS N N 15 118.4520 0.5 A 43 SER H H 1 7.6000 0.04 A 43 SER HA H 1 4.6640 0.04 A 43 SER HBx H 1 3.9950 0.04 A 43 SER HBy H 1 3.9950 0.04 A 43 SER C C 13 174.7100 0.5 A 43 SER CA C 13 58.6300 0.5 A 43 SER CB C 13 64.3000 0.5 A 43 SER N N 15 114.2630 0.5 A 44 GLN H H 1 7.4150 0.04 A 44 GLN HA H 1 4.1400 0.04 A 44 GLN HB2 H 1 1.6840 0.04 A 44 GLN HB3 H 1 1.9650 0.04 A 44 GLN HE21 H 1 6.5480 0.04 A 44 GLN HE22 H 1 6.4370 0.04 A 44 GLN HG2 H 1 1.5280 0.04 A 44 GLN HG3 H 1 1.7370 0.04 A 44 GLN C C 13 174.7200 0.5 A 44 GLN CA C 13 55.4540 0.5 A 44 GLN CB C 13 29.1660 0.5 A 44 GLN CD C 13 180.0530 0.5 A 44 GLN CG C 13 33.3000 0.5 A 44 GLN N N 15 120.6040 0.5 A 44 GLN NE2 N 15 113.6820 0.5 A 45 LYS H H 1 7.9540 0.04 A 45 LYS HA H 1 4.4100 0.04 A 45 LYS HB2 H 1 1.8730 0.04 A 45 LYS HB3 H 1 1.9700 0.04 A 45 LYS HDx H 1 1.7990 0.04 A 45 LYS HDy H 1 1.7990 0.04 A 45 LYS HEx H 1 3.1110 0.04 A 45 LYS HEy H 1 3.1110 0.04 A 45 LYS HG2 H 1 1.4940 0.04 A 45 LYS HG3 H 1 1.5400 0.04 A 45 LYS C C 13 175.9800 0.5 A 45 LYS CA C 13 56.7420 0.5 A 45 LYS CB C 13 33.5800 0.5 A 45 LYS CD C 13 29.7200 0.5 A 45 LYS CE C 13 42.5880 0.5 A 45 LYS CG C 13 25.3450 0.5 A 45 LYS N N 15 121.1820 0.5 A 46 GLU H H 1 8.5750 0.04 A 46 GLU HA H 1 4.4200 0.04 A 46 GLU HB2 H 1 2.1920 0.04 A 46 GLU HB3 H 1 2.0150 0.04 A 46 GLU HGx H 1 2.3520 0.04 A 46 GLU HGy H 1 2.3520 0.04 A 46 GLU C C 13 175.6500 0.5 A 46 GLU CA C 13 56.6430 0.5 A 46 GLU CB C 13 31.0000 0.5 A 46 GLU CG C 13 36.8100 0.5 A 46 GLU N N 15 122.7190 0.5 A 47 GLU H H 1 8.0230 0.04 A 47 GLU HA H 1 4.2620 0.04 A 47 GLU HB2 H 1 2.0210 0.04 A 47 GLU HB3 H 1 2.1780 0.04 A 47 GLU HGx H 1 2.3320 0.04 A 47 GLU HGy H 1 2.3320 0.04 A 47 GLU C C 13 180.9300 0.5 A 47 GLU CA C 13 58.6050 0.5 A 47 GLU CB C 13 31.6490 0.5 A 47 GLU CG C 13 36.6430 0.5 A 47 GLU N N 15 127.5400 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 3 HIS HA A 4 MET HE% 1.0 . 4.63 2 2 A 3 HIS HA A 4 MET HB2 1.0 . 4.79 3 2 A 3 HIS HA A 4 MET HB3 1.0 . 4.79 4 3 A 5 GLU HA A 5 GLU HG3 1.0 . 4.06 5 4 A 5 GLU HA A 5 GLU HG2 1.0 . 4.06 6 5 A 5 GLU H A 5 GLU HG2 1.0 . 4.71 7 6 A 5 GLU H A 5 GLU HG3 1.0 . 4.71 8 7 A 5 GLU H A 5 GLU HB2 1.0 . 3.13 9 8 A 5 GLU H A 5 GLU HG2 1.0 . 4.06 10 8 A 5 GLU H A 5 GLU HG3 1.0 . 4.06 11 9 A 5 GLU HA A 5 GLU HG2 1.0 . 3.20 12 9 A 5 GLU HA A 5 GLU HG3 1.0 . 3.20 13 10 A 5 GLU HB2 A 6 TYR HD% 1.0 . 5.50 14 11 A 5 GLU HA A 6 TYR H 1.0 . 3.32 15 12 A 6 TYR HD% A 5 GLU HB3 1.0 . 5.50 16 13 A 5 GLU HB3 A 6 TYR HB3 1.0 . 5.34 17 13 A 5 GLU HB3 A 6 TYR HB2 1.0 . 5.34 18 14 A 6 TYR HA A 6 TYR HE% 1.0 . 5.33 19 15 A 6 TYR HD% A 6 TYR H 1.0 . 4.99 20 16 A 6 TYR HD% A 6 TYR HA 1.0 . 3.78 21 17 A 6 TYR H A 6 TYR HB3 1.0 . 3.40 22 17 A 6 TYR H A 6 TYR HB2 1.0 . 3.40 23 18 A 6 TYR H A 7 ASP HBx 1.0 . 5.50 24 18 A 6 TYR H A 7 ASP HBy 1.0 . 5.50 25 19 A 6 TYR HA A 7 ASP H 1.0 . 3.21 26 20 A 7 ASP H A 6 TYR HB3 1.0 . 4.09 27 20 A 6 TYR HB2 A 7 ASP H 1.0 . 4.09 28 21 A 7 ASP HA A 6 TYR HB3 1.0 . 4.72 29 21 A 6 TYR HB2 A 7 ASP HA 1.0 . 4.72 30 22 A 6 TYR HD% A 8 GLY H 1.0 . 4.64 31 23 A 6 TYR HA A 9 GLN HB3 1.0 . 5.33 32 23 A 6 TYR HA A 9 GLN HB2 1.0 . 5.33 33 24 A 6 TYR HD% A 9 GLN HB3 1.0 . 5.34 34 24 A 6 TYR HD% A 9 GLN HB2 1.0 . 5.34 35 25 A 6 TYR HD% A 10 LEU HDx% 1.0 . 5.50 36 26 A 6 TYR HE% A 10 LEU HDx% 1.0 . 4.77 37 27 A 6 TYR HD% A 10 LEU HDy% 1.0 . 5.50 38 28 A 6 TYR HE% A 10 LEU HG 1.0 . 5.50 39 29 A 6 TYR HE% A 10 LEU HB2 1.0 . 5.36 40 30 A 6 TYR HE% A 10 LEU HDy% 1.0 . 4.77 41 31 A 6 TYR HE% A 10 LEU HDx% 1.0 . 3.27 42 31 A 6 TYR HE% A 10 LEU HDy% 1.0 . 3.27 43 32 A 7 ASP H A 7 ASP HBx 1.0 . 3.69 44 32 A 7 ASP HBy A 7 ASP H 1.0 . 3.69 45 33 A 7 ASP H A 8 GLY H 1.0 . 3.48 46 34 A 7 ASP HA A 8 GLY H 1.0 . 3.09 47 35 A 8 GLY H A 7 ASP HBx 1.0 . 4.33 48 35 A 7 ASP HBy A 8 GLY H 1.0 . 4.33 49 36 A 9 GLN H A 7 ASP HBx 1.0 . 4.76 50 36 A 7 ASP HBy A 9 GLN H 1.0 . 4.76 51 37 A 8 GLY H A 9 GLN H 1.0 . 3.62 52 38 A 8 GLY H A 9 GLN HB3 1.0 . 5.34 53 38 A 8 GLY H A 9 GLN HB2 1.0 . 5.34 54 39 A 9 GLN HA A 9 GLN HGx 1.0 . 3.27 55 39 A 9 GLN HA A 9 GLN HGy 1.0 . 3.27 56 40 A 9 GLN HGy A 9 GLN HB3 1.0 . 2.88 57 40 A 9 GLN HB3 A 9 GLN HGx 1.0 . 2.88 58 41 A 9 GLN HB2 A 9 GLN HGy 1.0 . 2.88 59 41 A 9 GLN HB2 A 9 GLN HGx 1.0 . 2.88 60 42 A 9 GLN H A 9 GLN HGx 1.0 . 4.24 61 42 A 9 GLN H A 9 GLN HGy 1.0 . 4.24 62 43 A 9 GLN H A 9 GLN HB3 1.0 . 3.28 63 44 A 9 GLN HB2 A 9 GLN H 1.0 . 3.28 64 45 A 9 GLN H A 9 GLN HB3 1.0 . 2.86 65 45 A 9 GLN HB2 A 9 GLN H 1.0 . 2.86 66 46 A 9 GLN HA A 9 GLN HE21 1.0 . 5.24 67 46 A 9 GLN HA A 9 GLN HE22 1.0 . 5.24 68 47 A 9 GLN HB2 A 9 GLN HE22 1.0 . 4.69 69 47 A 9 GLN HE21 A 9 GLN HB3 1.0 . 4.69 70 47 A 9 GLN HE22 A 9 GLN HB3 1.0 . 4.69 71 47 A 9 GLN HB2 A 9 GLN HE21 1.0 . 4.69 72 48 A 10 LEU HA A 9 GLN HGx 1.0 . 4.67 73 48 A 9 GLN HGy A 10 LEU HA 1.0 . 4.67 74 49 A 10 LEU HB3 A 9 GLN HGx 1.0 . 4.90 75 49 A 9 GLN HGy A 10 LEU HB3 1.0 . 4.90 76 50 A 10 LEU HB2 A 9 GLN HGx 1.0 . 5.50 77 50 A 10 LEU HB2 A 9 GLN HGy 1.0 . 5.50 78 51 A 10 LEU HA A 9 GLN HE21 1.0 . 5.50 79 52 A 10 LEU HA A 9 GLN HE22 1.0 . 5.50 80 53 A 9 GLN H A 10 LEU H 1.0 . 4.63 81 54 A 9 GLN HA A 10 LEU H 1.0 . 2.60 82 55 A 10 LEU H A 9 GLN HGx 1.0 . 3.84 83 55 A 9 GLN HGy A 10 LEU H 1.0 . 3.84 84 56 A 10 LEU H A 9 GLN HB3 1.0 . 4.14 85 56 A 9 GLN HB2 A 10 LEU H 1.0 . 4.14 86 57 A 9 GLN HE21 A 10 LEU H 1.0 . 5.34 87 57 A 9 GLN HE22 A 10 LEU H 1.0 . 5.34 88 58 A 10 LEU HG A 10 LEU HA 1.0 . 4.24 89 59 A 10 LEU HA A 10 LEU HDx% 1.0 . 4.00 90 60 A 10 LEU HDy% A 10 LEU HA 1.0 . 4.00 91 61 A 10 LEU HA A 10 LEU HDx% 1.0 . 2.97 92 61 A 10 LEU HDy% A 10 LEU HA 1.0 . 2.97 93 62 A 10 LEU HB2 A 10 LEU HDx% 1.0 . 2.92 94 62 A 10 LEU HB2 A 10 LEU HDy% 1.0 . 2.92 95 63 A 10 LEU HA A 11 ASP HB2 1.0 . 4.91 96 64 A 10 LEU HA A 11 ASP HB3 1.0 . 5.42 97 65 A 10 LEU H A 11 ASP H 1.0 . 4.56 98 66 A 11 ASP H A 10 LEU HDx% 1.0 . 3.64 99 66 A 10 LEU HDy% A 11 ASP H 1.0 . 3.64 100 67 A 11 ASP HA A 10 LEU HDx% 1.0 . 5.44 101 67 A 10 LEU HDy% A 11 ASP HA 1.0 . 5.44 102 68 A 12 SER HA A 10 LEU HDx% 1.0 . 5.44 103 68 A 10 LEU HDy% A 12 SER HA 1.0 . 5.44 104 69 A 10 LEU HDx% A 12 SER HBx 1.0 . 5.44 105 69 A 10 LEU HDy% A 12 SER HBx 1.0 . 5.44 106 69 A 12 SER HBy A 10 LEU HDx% 1.0 . 5.44 107 69 A 10 LEU HDy% A 12 SER HBy 1.0 . 5.44 108 70 A 10 LEU HA A 14 TRP HD1 1.0 . 5.50 109 71 A 10 LEU HB3 A 14 TRP HB2 1.0 . 5.34 110 72 A 10 LEU HB2 A 14 TRP HD1 1.0 . 5.50 111 73 A 10 LEU HB3 A 14 TRP HD1 1.0 . 5.50 112 74 A 10 LEU HG A 14 TRP HB2 1.0 . 5.01 113 75 A 14 TRP HD1 A 10 LEU HDx% 1.0 . 4.07 114 76 A 14 TRP HB2 A 10 LEU HDx% 1.0 . 3.55 115 77 A 10 LEU HDy% A 14 TRP HD1 1.0 . 4.07 116 78 A 10 LEU HDy% A 14 TRP HB2 1.0 . 3.55 117 79 A 10 LEU HG A 14 TRP HD1 1.0 . 4.85 118 80 A 14 TRP HA A 10 LEU HDx% 1.0 . 4.58 119 80 A 10 LEU HDy% A 14 TRP HA 1.0 . 4.58 120 81 A 10 LEU HG A 15 GLU HA 1.0 . 4.65 121 82 A 10 LEU HB3 A 15 GLU HBx 1.0 . 4.01 122 82 A 10 LEU HB3 A 15 GLU HBy 1.0 . 4.01 123 83 A 10 LEU HB3 A 15 GLU HA 1.0 . 5.50 124 84 A 10 LEU HG A 15 GLU H 1.0 . 5.16 125 85 A 15 GLU HA A 10 LEU HDx% 1.0 . 3.37 126 85 A 10 LEU HDy% A 15 GLU HA 1.0 . 3.37 127 86 A 10 LEU HDx% A 15 GLU HBx 1.0 . 2.92 128 86 A 10 LEU HDy% A 15 GLU HBx 1.0 . 2.92 129 86 A 15 GLU HBy A 10 LEU HDx% 1.0 . 2.92 130 86 A 10 LEU HDy% A 15 GLU HBy 1.0 . 2.92 131 87 A 10 LEU HDy% A 15 GLU HG2 1.0 . 4.13 132 87 A 10 LEU HDx% A 15 GLU HG2 1.0 . 4.13 133 87 A 15 GLU HG3 A 10 LEU HDx% 1.0 . 4.13 134 87 A 10 LEU HDy% A 15 GLU HG3 1.0 . 4.13 135 88 A 16 LYS H A 10 LEU HDx% 1.0 . 4.55 136 88 A 10 LEU HDy% A 16 LYS H 1.0 . 4.55 137 89 A 17 LEU HDx% A 10 LEU HDx% 1.0 . 5.44 138 89 A 10 LEU HDy% A 17 LEU HDx% 1.0 . 5.44 139 90 A 11 ASP HB2 A 11 ASP H 1.0 . 3.11 140 91 A 11 ASP HB3 A 11 ASP H 1.0 . 3.20 141 92 A 11 ASP HB3 A 12 SER HBx 1.0 . 5.42 142 92 A 11 ASP HB3 A 12 SER HBy 1.0 . 5.42 143 93 A 11 ASP HA A 12 SER HA 1.0 . 4.52 144 94 A 11 ASP HB2 A 12 SER H 1.0 . 4.40 145 95 A 11 ASP H A 12 SER H 1.0 . 4.84 146 96 A 11 ASP HA A 12 SER H 1.0 . 3.21 147 97 A 11 ASP HB3 A 12 SER H 1.0 . 4.06 148 98 A 11 ASP HB2 A 13 GLU H 1.0 . 4.80 149 99 A 11 ASP HA A 14 TRP HD1 1.0 . 5.50 150 100 A 11 ASP HB2 A 14 TRP HD1 1.0 . 5.33 151 101 A 11 ASP HB3 A 14 TRP H 1.0 . 3.89 152 102 A 11 ASP H A 14 TRP H 1.0 . 5.37 153 103 A 11 ASP HB3 A 14 TRP HE1 1.0 . 5.43 154 104 A 11 ASP HB3 A 14 TRP HD1 1.0 . 3.80 155 105 A 11 ASP HB3 A 14 TRP HZ2 1.0 . 4.71 156 106 A 12 SER HA A 12 SER HBx 1.0 . 2.68 157 106 A 12 SER HA A 12 SER HBy 1.0 . 2.68 158 107 A 12 SER H A 12 SER HBx 1.0 . 3.55 159 107 A 12 SER HBy A 12 SER H 1.0 . 3.55 160 108 A 13 GLU HB2 A 12 SER HBx 1.0 . 5.50 161 108 A 12 SER HBy A 13 GLU HB2 1.0 . 5.50 162 109 A 12 SER H A 13 GLU HB2 1.0 . 5.10 163 110 A 12 SER H A 13 GLU H 1.0 . 3.34 164 111 A 13 GLU H A 12 SER HBx 1.0 . 3.78 165 111 A 12 SER HBy A 13 GLU H 1.0 . 3.78 166 112 A 12 SER HBy A 13 GLU HG2 1.0 . 5.34 167 112 A 12 SER HBx A 13 GLU HG2 1.0 . 5.34 168 112 A 13 GLU HG3 A 12 SER HBx 1.0 . 5.34 169 112 A 12 SER HBy A 13 GLU HG3 1.0 . 5.34 170 113 A 12 SER HA A 15 GLU HA 1.0 . 5.29 171 114 A 12 SER HA A 15 GLU HBx 1.0 . 3.21 172 114 A 12 SER HA A 15 GLU HBy 1.0 . 3.21 173 115 A 12 SER HBx A 15 GLU HBx 1.0 . 3.84 174 115 A 12 SER HBy A 15 GLU HBx 1.0 . 3.84 175 115 A 15 GLU HBy A 12 SER HBx 1.0 . 3.84 176 115 A 12 SER HBy A 15 GLU HBy 1.0 . 3.84 177 116 A 12 SER HA A 15 GLU H 1.0 . 3.62 178 117 A 12 SER HA A 15 GLU HG2 1.0 . 4.06 179 117 A 12 SER HA A 15 GLU HG3 1.0 . 4.06 180 118 A 12 SER HBy A 15 GLU HG2 1.0 . 5.34 181 118 A 12 SER HBx A 15 GLU HG2 1.0 . 5.34 182 118 A 15 GLU HG3 A 12 SER HBx 1.0 . 5.34 183 118 A 12 SER HBy A 15 GLU HG3 1.0 . 5.34 184 119 A 12 SER HBx A 16 LYS HBx 1.0 . 5.50 185 119 A 12 SER HBy A 16 LYS HBx 1.0 . 5.50 186 119 A 16 LYS HBy A 12 SER HBx 1.0 . 5.50 187 119 A 12 SER HBy A 16 LYS HBy 1.0 . 5.50 188 120 A 12 SER HA A 16 LYS HG2 1.0 . 5.38 189 121 A 12 SER HA A 16 LYS HG3 1.0 . 5.21 190 122 A 12 SER HA A 16 LYS H 1.0 . 4.47 191 123 A 13 GLU H A 13 GLU HG3 1.0 . 3.56 192 124 A 13 GLU H A 13 GLU HG2 1.0 . 3.56 193 125 A 13 GLU H A 13 GLU HB3 1.0 . 3.65 194 126 A 13 GLU H A 13 GLU HB2 1.0 . 3.02 195 127 A 13 GLU H A 13 GLU HG2 1.0 . 2.91 196 127 A 13 GLU H A 13 GLU HG3 1.0 . 2.91 197 128 A 13 GLU HA A 13 GLU HG2 1.0 . 2.81 198 128 A 13 GLU HG3 A 13 GLU HA 1.0 . 2.81 199 129 A 13 GLU HB2 A 14 TRP HE3 1.0 . 5.50 200 130 A 14 TRP HA A 13 GLU HB2 1.0 . 5.50 201 131 A 14 TRP HA A 13 GLU HB3 1.0 . 5.50 202 132 A 14 TRP H A 13 GLU HB2 1.0 . 3.55 203 133 A 14 TRP H A 13 GLU HB3 1.0 . 3.68 204 134 A 13 GLU H A 14 TRP H 1.0 . 3.15 205 135 A 14 TRP HD1 A 13 GLU H 1.0 . 5.50 206 136 A 15 GLU H A 13 GLU H 1.0 . 4.31 207 137 A 16 LYS HG3 A 13 GLU HA 1.0 . 4.45 208 138 A 16 LYS HG2 A 13 GLU HA 1.0 . 3.85 209 139 A 16 LYS H A 13 GLU H 1.0 . 4.86 210 140 A 16 LYS H A 13 GLU HA 1.0 . 4.04 211 141 A 17 LEU HDx% A 13 GLU HB3 1.0 . 5.50 212 142 A 14 TRP HA A 14 TRP HE3 1.0 . 4.29 213 143 A 14 TRP HB2 A 14 TRP H 1.0 . 3.07 214 144 A 14 TRP HB2 A 14 TRP HE1 1.0 . 4.86 215 145 A 14 TRP HD1 A 14 TRP HB2 1.0 . 3.30 216 146 A 14 TRP HB2 A 15 GLU HBx 1.0 . 5.50 217 146 A 14 TRP HB2 A 15 GLU HBy 1.0 . 5.50 218 147 A 14 TRP HD1 A 15 GLU H 1.0 . 4.86 219 148 A 14 TRP H A 15 GLU HBx 1.0 . 4.23 220 148 A 15 GLU HBy A 14 TRP H 1.0 . 4.23 221 149 A 14 TRP HB2 A 15 GLU H 1.0 . 3.35 222 150 A 14 TRP HA A 16 LYS HG3 1.0 . 5.50 223 151 A 16 LYS H A 14 TRP H 1.0 . 4.86 224 152 A 14 TRP H A 16 LYS HG3 1.0 . 4.66 225 153 A 14 TRP HA A 16 LYS H 1.0 . 5.50 226 154 A 14 TRP HA A 17 LEU HA 1.0 . 5.50 227 155 A 14 TRP HE3 A 17 LEU HB2 1.0 . 5.07 228 156 A 14 TRP HE3 A 17 LEU HB3 1.0 . 5.13 229 157 A 14 TRP HA A 17 LEU HB2 1.0 . 4.86 230 158 A 14 TRP HB2 A 17 LEU HB2 1.0 . 5.50 231 159 A 17 LEU HB2 A 14 TRP HB3 1.0 . 5.50 232 160 A 14 TRP HA A 17 LEU HB3 1.0 . 4.98 233 161 A 14 TRP HE3 A 17 LEU HG 1.0 . 5.36 234 162 A 14 TRP HA A 17 LEU HG 1.0 . 4.47 235 163 A 17 LEU HDx% A 14 TRP HE3 1.0 . 3.47 236 164 A 14 TRP HA A 17 LEU HDx% 1.0 . 3.49 237 165 A 14 TRP HA A 17 LEU HDy% 1.0 . 4.76 238 166 A 17 LEU HDx% A 14 TRP H 1.0 . 4.66 239 167 A 14 TRP H A 17 LEU HG 1.0 . 5.50 240 168 A 14 TRP HA A 17 LEU H 1.0 . 4.14 241 169 A 14 TRP HB2 A 17 LEU H 1.0 . 5.50 242 170 A 14 TRP H A 17 LEU H 1.0 . 5.03 243 171 A 14 TRP O A 18 VAL H 1.0 . 2.00 244 172 A 14 TRP O A 18 VAL N 1.0 . 3.00 245 173 A 14 TRP HA A 18 VAL H 1.0 . 4.17 246 174 A 15 GLU HA A 15 GLU HG2 1.0 . 3.87 247 175 A 15 GLU HA A 15 GLU HG3 1.0 . 3.87 248 176 A 15 GLU H A 15 GLU HBx 1.0 . 2.91 249 176 A 15 GLU HBy A 15 GLU H 1.0 . 2.91 250 177 A 16 LYS HG3 A 15 GLU HBx 1.0 . 4.46 251 177 A 15 GLU HBy A 16 LYS HG3 1.0 . 4.46 252 178 A 15 GLU H A 16 LYS HG3 1.0 . 4.68 253 179 A 15 GLU H A 16 LYS H 1.0 . 3.29 254 180 A 16 LYS H A 15 GLU HBx 1.0 . 2.67 255 180 A 15 GLU HBy A 16 LYS H 1.0 . 2.67 256 181 A 16 LYS H A 15 GLU HG2 1.0 . 3.99 257 181 A 15 GLU HG3 A 16 LYS H 1.0 . 3.99 258 182 A 16 LYS HA A 15 GLU HG2 1.0 . 3.80 259 182 A 15 GLU HG3 A 16 LYS HA 1.0 . 3.80 260 183 A 16 LYS HG2 A 15 GLU HG2 1.0 . 5.28 261 183 A 15 GLU HG3 A 16 LYS HG2 1.0 . 5.28 262 184 A 16 LYS HG3 A 15 GLU HG2 1.0 . 4.93 263 184 A 15 GLU HG3 A 16 LYS HG3 1.0 . 4.93 264 185 A 15 GLU H A 17 LEU H 1.0 . 4.91 265 186 A 15 GLU HA A 18 VAL HGx% 1.0 . 3.49 266 187 A 15 GLU HA A 18 VAL H 1.0 . 4.18 267 188 A 15 GLU O A 19 ARG H 1.0 . 2.00 268 189 A 15 GLU O A 19 ARG N 1.0 . 3.00 269 190 A 15 GLU HG3 A 19 ARG HGx 1.0 . 5.34 270 190 A 15 GLU HG2 A 19 ARG HGx 1.0 . 5.34 271 190 A 19 ARG HGy A 15 GLU HG2 1.0 . 5.34 272 190 A 15 GLU HG3 A 19 ARG HGy 1.0 . 5.34 273 191 A 15 GLU HG2 A 19 ARG HD3 1.0 . 4.47 274 191 A 15 GLU HG3 A 19 ARG HD3 1.0 . 4.47 275 191 A 19 ARG HD2 A 15 GLU HG2 1.0 . 4.47 276 191 A 15 GLU HG3 A 19 ARG HD2 1.0 . 4.47 277 192 A 16 LYS HBy A 16 LYS HDx 1.0 . 2.87 278 192 A 16 LYS HBx A 16 LYS HDx 1.0 . 2.87 279 192 A 16 LYS HDy A 16 LYS HBx 1.0 . 2.87 280 192 A 16 LYS HBy A 16 LYS HDy 1.0 . 2.87 281 193 A 16 LYS HA A 16 LYS HBx 1.0 . 2.84 282 193 A 16 LYS HBy A 16 LYS HA 1.0 . 2.84 283 194 A 16 LYS HG3 A 16 LYS HBx 1.0 . 2.72 284 194 A 16 LYS HBy A 16 LYS HG3 1.0 . 2.72 285 195 A 16 LYS HG2 A 16 LYS HEx 1.0 . 3.28 286 195 A 16 LYS HG2 A 16 LYS HEy 1.0 . 3.28 287 196 A 16 LYS HG2 A 16 LYS HBx 1.0 . 2.77 288 196 A 16 LYS HBy A 16 LYS HG2 1.0 . 2.77 289 197 A 16 LYS HG3 A 16 LYS HA 1.0 . 3.63 290 198 A 16 LYS HG3 A 16 LYS HEx 1.0 . 3.29 291 198 A 16 LYS HG3 A 16 LYS HEy 1.0 . 3.29 292 199 A 16 LYS HG3 A 16 LYS HDx 1.0 . 2.80 293 199 A 16 LYS HG3 A 16 LYS HDy 1.0 . 2.80 294 200 A 16 LYS HA A 16 LYS HDx 1.0 . 3.84 295 200 A 16 LYS HA A 16 LYS HDy 1.0 . 3.84 296 201 A 16 LYS HDx A 16 LYS HEx 1.0 . 2.70 297 201 A 16 LYS HDy A 16 LYS HEx 1.0 . 2.70 298 201 A 16 LYS HEy A 16 LYS HDx 1.0 . 2.70 299 201 A 16 LYS HDy A 16 LYS HEy 1.0 . 2.70 300 202 A 17 LEU HA A 16 LYS HDx 1.0 . 3.74 301 202 A 17 LEU HA A 16 LYS HDy 1.0 . 3.74 302 203 A 17 LEU HG A 16 LYS HEx 1.0 . 4.13 303 203 A 17 LEU HG A 16 LYS HEy 1.0 . 4.13 304 204 A 17 LEU HDx% A 16 LYS HBx 1.0 . 5.50 305 204 A 17 LEU HDx% A 16 LYS HBy 1.0 . 5.50 306 205 A 16 LYS HG3 A 17 LEU HG 1.0 . 4.19 307 206 A 16 LYS H A 17 LEU H 1.0 . 2.74 308 207 A 17 LEU H A 16 LYS HDx 1.0 . 3.05 309 207 A 17 LEU H A 16 LYS HDy 1.0 . 3.05 310 208 A 16 LYS HG3 A 17 LEU H 1.0 . 3.42 311 209 A 16 LYS H A 18 VAL H 1.0 . 5.50 312 210 A 16 LYS HA A 19 ARG HBx 1.0 . 4.12 313 210 A 16 LYS HA A 19 ARG HBy 1.0 . 4.12 314 211 A 16 LYS H A 19 ARG H 1.0 . 4.98 315 212 A 16 LYS O A 20 ASP H 1.0 . 2.00 316 213 A 16 LYS O A 20 ASP N 1.0 . 3.00 317 214 A 17 LEU HA A 17 LEU HG 1.0 . 3.41 318 215 A 17 LEU HB2 A 17 LEU HDy% 1.0 . 3.97 319 216 A 17 LEU HDx% A 17 LEU HB3 1.0 . 3.17 320 217 A 17 LEU HDx% A 17 LEU HA 1.0 . 3.96 321 218 A 17 LEU HA A 17 LEU HDy% 1.0 . 3.14 322 219 A 17 LEU HB3 A 17 LEU HDy% 1.0 . 3.19 323 220 A 17 LEU HDx% A 17 LEU HB2 1.0 . 3.20 324 221 A 17 LEU HDx% A 17 LEU HB2 1.0 . 3.20 325 222 A 17 LEU HB3 A 18 VAL H 1.0 . 3.84 326 223 A 17 LEU HDx% A 18 VAL H 1.0 . 4.43 327 224 A 17 LEU H A 18 VAL H 1.0 . 3.45 328 225 A 17 LEU HA A 20 ASP HB2 1.0 . 3.64 329 226 A 17 LEU HB2 A 20 ASP HB2 1.0 . 5.50 330 227 A 17 LEU HB3 A 20 ASP HB2 1.0 . 5.44 331 228 A 17 LEU HDy% A 20 ASP HB2 1.0 . 4.31 332 229 A 17 LEU O A 21 ALA H 1.0 . 2.00 333 230 A 17 LEU O A 21 ALA N 1.0 . 3.00 334 231 A 17 LEU HB3 A 21 ALA H 1.0 . 5.35 335 232 A 18 VAL HGx% A 18 VAL HA 1.0 . 3.26 336 233 A 18 VAL HA A 18 VAL HGy% 1.0 . 3.19 337 234 A 18 VAL H A 18 VAL HB 1.0 . 3.05 338 235 A 18 VAL H A 18 VAL HGx% 1.0 . 3.11 339 236 A 18 VAL HGx% A 19 ARG HBx 1.0 . 3.60 340 236 A 18 VAL HGx% A 19 ARG HBy 1.0 . 3.60 341 237 A 19 ARG H A 18 VAL HB 1.0 . 4.05 342 238 A 18 VAL HGx% A 19 ARG H 1.0 . 3.93 343 239 A 19 ARG H A 18 VAL HGy% 1.0 . 3.94 344 240 A 18 VAL HGx% A 20 ASP HB2 1.0 . 5.50 345 241 A 18 VAL HA A 21 ALA HB% 1.0 . 3.25 346 242 A 18 VAL HGy% A 21 ALA HB% 1.0 . 3.93 347 243 A 18 VAL HA A 21 ALA HA 1.0 . 5.50 348 244 A 21 ALA H A 18 VAL HA 1.0 . 3.79 349 245 A 18 VAL O A 22 MET H 1.0 . 2.00 350 246 A 18 VAL O A 22 MET N 1.0 . 3.00 351 247 A 18 VAL HA A 22 MET H 1.0 . 5.21 352 248 A 19 ARG HA A 19 ARG HBx 1.0 . 2.71 353 248 A 19 ARG HBy A 19 ARG HA 1.0 . 2.71 354 249 A 19 ARG HA A 19 ARG HGx 1.0 . 3.31 355 249 A 19 ARG HGy A 19 ARG HA 1.0 . 3.31 356 250 A 19 ARG HA A 19 ARG HD3 1.0 . 4.42 357 250 A 19 ARG HD2 A 19 ARG HA 1.0 . 4.42 358 251 A 19 ARG HA A 20 ASP HA 1.0 . 5.50 359 252 A 20 ASP H A 19 ARG HGx 1.0 . 4.28 360 252 A 19 ARG HGy A 20 ASP H 1.0 . 4.28 361 253 A 20 ASP H A 19 ARG HBx 1.0 . 3.20 362 253 A 19 ARG HBy A 20 ASP H 1.0 . 3.20 363 254 A 19 ARG H A 20 ASP HB2 1.0 . 5.50 364 255 A 21 ALA H A 19 ARG HA 1.0 . 4.63 365 256 A 21 ALA H A 19 ARG HBx 1.0 . 4.84 366 256 A 19 ARG HBy A 21 ALA H 1.0 . 4.84 367 257 A 19 ARG HA A 22 MET HB2 1.0 . 3.46 368 258 A 22 MET HG2 A 19 ARG HGx 1.0 . 5.50 369 258 A 19 ARG HGy A 22 MET HG2 1.0 . 5.50 370 259 A 19 ARG HA A 22 MET HG2 1.0 . 4.06 371 260 A 19 ARG HA A 22 MET HG3 1.0 . 4.15 372 261 A 19 ARG O A 23 THR H 1.0 . 2.00 373 262 A 19 ARG O A 23 THR N 1.0 . 3.00 374 263 A 19 ARG HA A 23 THR HG2% 1.0 . 4.18 375 264 A 20 ASP H A 20 ASP HB2 1.0 . 3.00 376 265 A 20 ASP H A 20 ASP HB3 1.0 . 3.43 377 266 A 21 ALA HB% A 20 ASP HB3 1.0 . 5.50 378 267 A 20 ASP H A 21 ALA HA 1.0 . 5.50 379 268 A 20 ASP HB2 A 21 ALA HA 1.0 . 5.13 380 269 A 20 ASP HB2 A 21 ALA HA 1.0 . 5.13 381 270 A 22 MET H A 20 ASP HA 1.0 . 4.77 382 271 A 20 ASP HB2 A 22 MET H 1.0 . 5.50 383 272 A 20 ASP HA A 23 THR HG2% 1.0 . 4.75 384 273 A 20 ASP HA A 23 THR H 1.0 . 3.85 385 274 A 20 ASP O A 24 SER H 1.0 . 2.00 386 275 A 20 ASP O A 24 SER N 1.0 . 3.00 387 276 A 21 ALA H A 21 ALA HB% 1.0 . 3.05 388 277 A 21 ALA HB% A 22 MET HA 1.0 . 3.88 389 278 A 21 ALA HB% A 22 MET HG3 1.0 . 5.50 390 279 A 21 ALA HB% A 22 MET H 1.0 . 3.41 391 280 A 21 ALA HA A 24 SER HB3 1.0 . 3.44 392 280 A 21 ALA HA A 24 SER HB2 1.0 . 3.44 393 281 A 21 ALA HA A 26 VAL HB 1.0 . 5.50 394 282 A 21 ALA HA A 26 VAL HGy% 1.0 . 3.35 395 282 A 21 ALA HA A 26 VAL HGx% 1.0 . 3.35 396 283 A 22 MET HG2 A 22 MET HA 1.0 . 3.86 397 284 A 22 MET HG3 A 22 MET HA 1.0 . 3.89 398 285 A 22 MET HA A 22 MET HE% 1.0 . 2.75 399 286 A 22 MET HA A 22 MET HB3 1.0 . 2.93 400 287 A 22 MET H A 22 MET HG2 1.0 . 3.48 401 288 A 22 MET H A 22 MET HB3 1.0 . 3.71 402 289 A 22 MET HB3 A 23 THR HA 1.0 . 5.50 403 290 A 23 THR HG2% A 22 MET HA 1.0 . 4.98 404 291 A 22 MET HB2 A 23 THR HG2% 1.0 . 4.72 405 292 A 22 MET H A 23 THR H 1.0 . 3.38 406 293 A 22 MET HB2 A 23 THR H 1.0 . 3.63 407 294 A 22 MET HG3 A 23 THR H 1.0 . 5.39 408 295 A 22 MET HG2 A 23 THR H 1.0 . 5.40 409 296 A 23 THR H A 22 MET HB3 1.0 . 4.08 410 297 A 22 MET H A 24 SER H 1.0 . 4.49 411 298 A 22 MET HE% A 28 LYS H 1.0 . 5.50 412 299 A 23 THR HA A 23 THR HB 1.0 . 2.92 413 300 A 23 THR HG2% A 23 THR HA 1.0 . 2.95 414 301 A 23 THR H A 23 THR HB 1.0 . 4.20 415 302 A 23 THR H A 23 THR HG2% 1.0 . 3.77 416 303 A 23 THR HG2% A 24 SER HA 1.0 . 5.50 417 304 A 24 SER H A 23 THR HA 1.0 . 3.53 418 305 A 23 THR HG2% A 24 SER H 1.0 . 4.14 419 306 A 23 THR H A 24 SER H 1.0 . 3.15 420 307 A 23 THR H A 25 GLY H 1.0 . 4.26 421 308 A 24 SER H A 24 SER HB3 1.0 . 3.10 422 308 A 24 SER H A 24 SER HB2 1.0 . 3.10 423 309 A 24 SER H A 25 GLY H 1.0 . 3.27 424 310 A 24 SER H A 26 VAL HGy% 1.0 . 4.50 425 310 A 24 SER H A 26 VAL HGx% 1.0 . 4.50 426 311 A 24 SER HA A 26 VAL HGy% 1.0 . 4.74 427 311 A 26 VAL HGx% A 24 SER HA 1.0 . 4.74 428 312 A 24 SER HB3 A 26 VAL HGy% 1.0 . 3.95 429 312 A 24 SER HB2 A 26 VAL HGy% 1.0 . 3.95 430 312 A 26 VAL HGx% A 24 SER HB3 1.0 . 3.95 431 312 A 24 SER HB2 A 26 VAL HGx% 1.0 . 3.95 432 313 A 25 GLY H A 26 VAL H 1.0 . 3.40 433 314 A 25 GLY H A 26 VAL HGy% 1.0 . 4.37 434 314 A 26 VAL HGx% A 25 GLY H 1.0 . 4.37 435 315 A 26 VAL HGx% A 26 VAL HA 1.0 . 3.32 436 316 A 26 VAL HA A 26 VAL HGy% 1.0 . 3.32 437 317 A 26 VAL HB A 26 VAL H 1.0 . 3.73 438 318 A 26 VAL HGx% A 26 VAL H 1.0 . 3.87 439 319 A 26 VAL H A 26 VAL HGy% 1.0 . 3.87 440 320 A 26 VAL H A 26 VAL HGy% 1.0 . 3.11 441 320 A 26 VAL HGx% A 26 VAL H 1.0 . 3.11 442 321 A 26 VAL HA A 26 VAL HGy% 1.0 . 2.90 443 321 A 26 VAL HGx% A 26 VAL HA 1.0 . 2.90 444 322 A 26 VAL HB A 27 SER H 1.0 . 4.08 445 323 A 26 VAL HGx% A 27 SER H 1.0 . 4.09 446 324 A 27 SER H A 26 VAL HGy% 1.0 . 4.09 447 325 A 26 VAL H A 27 SER H 1.0 . 4.81 448 326 A 27 SER H A 26 VAL HGy% 1.0 . 3.46 449 326 A 26 VAL HGx% A 27 SER H 1.0 . 3.46 450 327 A 27 SER HA A 26 VAL HGy% 1.0 . 5.44 451 327 A 26 VAL HGx% A 27 SER HA 1.0 . 5.44 452 328 A 26 VAL HB A 28 LYS HA 1.0 . 5.50 453 329 A 28 LYS H A 26 VAL HGy% 1.0 . 4.73 454 329 A 26 VAL HGx% A 28 LYS H 1.0 . 4.73 455 330 A 30 GLN H A 26 VAL HGy% 1.0 . 5.44 456 330 A 26 VAL HGx% A 30 GLN H 1.0 . 5.44 457 331 A 30 GLN HB2 A 26 VAL HGy% 1.0 . 4.50 458 331 A 26 VAL HGx% A 30 GLN HB2 1.0 . 4.50 459 332 A 26 VAL HGx% A 30 GLN HGx 1.0 . 4.95 460 332 A 26 VAL HGy% A 30 GLN HGx 1.0 . 4.95 461 332 A 30 GLN HGy A 26 VAL HGy% 1.0 . 4.95 462 332 A 26 VAL HGx% A 30 GLN HGy 1.0 . 4.95 463 333 A 31 PHE H A 26 VAL HGy% 1.0 . 5.13 464 333 A 26 VAL HGx% A 31 PHE H 1.0 . 5.13 465 334 A 31 PHE HD% A 26 VAL HGy% 1.0 . 4.34 466 334 A 26 VAL HGx% A 31 PHE HD% 1.0 . 4.34 467 335 A 27 SER H A 27 SER HB3 1.0 . 3.59 468 336 A 27 SER H A 27 SER HB2 1.0 . 3.59 469 337 A 27 SER H A 27 SER HB3 1.0 . 2.78 470 337 A 27 SER H A 27 SER HB2 1.0 . 2.78 471 338 A 27 SER H A 27 SER HB3 1.0 . 2.78 472 338 A 27 SER H A 27 SER HB2 1.0 . 2.78 473 339 A 27 SER H A 27 SER HB3 1.0 . 2.78 474 339 A 27 SER H A 27 SER HB2 1.0 . 2.78 475 340 A 28 LYS H A 27 SER HA 1.0 . 3.20 476 341 A 28 LYS H A 27 SER HB3 1.0 . 3.69 477 341 A 28 LYS H A 27 SER HB2 1.0 . 3.69 478 342 A 28 LYS H A 27 SER HB2 1.0 . 4.57 479 343 A 28 LYS H A 27 SER HB2 1.0 . 4.57 480 344 A 27 SER HA A 29 LYS H 1.0 . 4.26 481 345 A 29 LYS H A 27 SER HB3 1.0 . 4.17 482 345 A 27 SER HB2 A 29 LYS H 1.0 . 4.17 483 346 A 29 LYS HA A 27 SER HB3 1.0 . 5.34 484 346 A 27 SER HB2 A 29 LYS HA 1.0 . 5.34 485 347 A 29 LYS HB2 A 27 SER HB3 1.0 . 5.11 486 347 A 27 SER HB2 A 29 LYS HB2 1.0 . 5.11 487 348 A 27 SER HA A 30 GLN HGx 1.0 . 4.53 488 348 A 27 SER HA A 30 GLN HGy 1.0 . 4.53 489 349 A 27 SER HA A 30 GLN H 1.0 . 4.71 490 350 A 30 GLN H A 27 SER HB3 1.0 . 3.37 491 350 A 30 GLN H A 27 SER HB2 1.0 . 3.37 492 351 A 30 GLN HB2 A 27 SER HB3 1.0 . 4.52 493 351 A 30 GLN HB2 A 27 SER HB2 1.0 . 4.52 494 352 A 30 GLN HB3 A 27 SER HB3 1.0 . 4.34 495 352 A 27 SER HB2 A 30 GLN HB3 1.0 . 4.34 496 353 A 27 SER HB3 A 30 GLN HGx 1.0 . 3.51 497 353 A 27 SER HB2 A 30 GLN HGx 1.0 . 3.51 498 353 A 30 GLN HGy A 27 SER HB3 1.0 . 3.51 499 353 A 30 GLN HGy A 27 SER HB2 1.0 . 3.51 500 354 A 30 GLN HE21 A 27 SER HB3 1.0 . 4.56 501 354 A 27 SER HB2 A 30 GLN HE21 1.0 . 4.56 502 355 A 30 GLN H A 27 SER HB3 1.0 . 3.41 503 356 A 30 GLN H A 27 SER HB3 1.0 . 3.41 504 357 A 30 GLN HB3 A 27 SER HB3 1.0 . 5.50 505 358 A 30 GLN HB3 A 27 SER HB3 1.0 . 5.50 506 359 A 30 GLN HGy A 27 SER HB3 1.0 . 4.79 507 359 A 27 SER HB3 A 30 GLN HGx 1.0 . 4.79 508 360 A 30 GLN HGy A 27 SER HB3 1.0 . 4.79 509 360 A 27 SER HB3 A 30 GLN HGx 1.0 . 4.79 510 361 A 28 LYS H A 29 LYS HDx 1.0 . 5.50 511 361 A 28 LYS H A 29 LYS HDy 1.0 . 5.50 512 362 A 28 LYS H A 29 LYS H 1.0 . 3.56 513 363 A 28 LYS H A 30 GLN H 1.0 . 4.34 514 364 A 28 LYS HA A 30 GLN H 1.0 . 4.25 515 365 A 28 LYS H A 30 GLN HB2 1.0 . 5.50 516 366 A 28 LYS HA A 31 PHE H 1.0 . 3.79 517 367 A 29 LYS HA A 29 LYS HEx 1.0 . 5.50 518 367 A 29 LYS HA A 29 LYS HEy 1.0 . 5.50 519 368 A 29 LYS HA A 29 LYS HG2 1.0 . 3.64 520 369 A 29 LYS HG2 A 29 LYS HEx 1.0 . 3.64 521 369 A 29 LYS HEy A 29 LYS HG2 1.0 . 3.64 522 370 A 29 LYS HG3 A 29 LYS HEx 1.0 . 2.76 523 370 A 29 LYS HEy A 29 LYS HG3 1.0 . 2.76 524 371 A 29 LYS H A 29 LYS HG3 1.0 . 3.63 525 372 A 29 LYS H A 29 LYS HG3 1.0 . 3.63 526 373 A 29 LYS H A 29 LYS HDx 1.0 . 2.80 527 373 A 29 LYS H A 29 LYS HDy 1.0 . 2.80 528 374 A 29 LYS H A 29 LYS HDx 1.0 . 2.80 529 374 A 29 LYS H A 29 LYS HDy 1.0 . 2.80 530 375 A 29 LYS HB3 A 30 GLN HGx 1.0 . 5.50 531 375 A 30 GLN HGy A 29 LYS HB3 1.0 . 5.50 532 376 A 29 LYS HA A 30 GLN HGx 1.0 . 5.50 533 376 A 30 GLN HGy A 29 LYS HA 1.0 . 5.50 534 377 A 29 LYS HG2 A 30 GLN HA 1.0 . 4.33 535 378 A 29 LYS HG3 A 30 GLN HA 1.0 . 5.49 536 379 A 29 LYS HG2 A 30 GLN HGx 1.0 . 4.77 537 379 A 30 GLN HGy A 29 LYS HG2 1.0 . 4.77 538 380 A 30 GLN HB3 A 29 LYS HG2 1.0 . 5.50 539 381 A 30 GLN H A 29 LYS HG3 1.0 . 4.22 540 382 A 29 LYS HG2 A 30 GLN HE22 1.0 . 5.50 541 383 A 30 GLN HE21 A 29 LYS HG2 1.0 . 5.50 542 384 A 30 GLN HE21 A 29 LYS HDx 1.0 . 5.21 543 384 A 30 GLN HE21 A 29 LYS HDy 1.0 . 5.21 544 385 A 29 LYS H A 30 GLN HA 1.0 . 5.50 545 386 A 29 LYS H A 30 GLN HGx 1.0 . 4.48 546 386 A 30 GLN HGy A 29 LYS H 1.0 . 4.48 547 387 A 29 LYS HB2 A 30 GLN HA 1.0 . 4.56 548 388 A 29 LYS HB2 A 30 GLN HA 1.0 . 4.56 549 389 A 29 LYS HA A 31 PHE HB2 1.0 . 5.22 550 390 A 31 PHE H A 29 LYS HG2 1.0 . 4.74 551 391 A 31 PHE H A 29 LYS H 1.0 . 4.99 552 392 A 29 LYS H A 31 PHE HB2 1.0 . 5.45 553 393 A 29 LYS HA A 32 ARG HB3 1.0 . 3.68 554 394 A 29 LYS HA A 33 GLU HG2 1.0 . 5.50 555 395 A 29 LYS HB2 A 33 GLU HG2 1.0 . 5.50 556 396 A 29 LYS HA A 33 GLU HG2 1.0 . 5.50 557 397 A 29 LYS HA A 33 GLU HG2 1.0 . 5.50 558 398 A 30 GLN HA A 30 GLN HGx 1.0 . 3.05 559 398 A 30 GLN HGy A 30 GLN HA 1.0 . 3.05 560 399 A 30 GLN HB3 A 30 GLN HGx 1.0 . 2.76 561 399 A 30 GLN HGy A 30 GLN HB3 1.0 . 2.76 562 400 A 30 GLN H A 30 GLN HB2 1.0 . 3.03 563 401 A 30 GLN H A 30 GLN HB3 1.0 . 3.80 564 402 A 30 GLN H A 30 GLN HE22 1.0 . 5.50 565 403 A 30 GLN H A 30 GLN HE21 1.0 . 5.49 566 404 A 30 GLN HA A 30 GLN HE22 1.0 . 4.41 567 405 A 30 GLN HE22 A 30 GLN HGx 1.0 . 3.43 568 405 A 30 GLN HGy A 30 GLN HE22 1.0 . 3.43 569 406 A 30 GLN HB3 A 30 GLN HE22 1.0 . 4.71 570 407 A 30 GLN HB3 A 30 GLN HE21 1.0 . 4.73 571 408 A 30 GLN HE21 A 30 GLN HGx 1.0 . 3.49 572 408 A 30 GLN HGy A 30 GLN HE21 1.0 . 3.49 573 409 A 30 GLN HE21 A 30 GLN HA 1.0 . 4.35 574 410 A 30 GLN HB2 A 31 PHE H 1.0 . 3.54 575 411 A 31 PHE H A 30 GLN HB3 1.0 . 3.74 576 412 A 30 GLN H A 31 PHE H 1.0 . 3.52 577 413 A 30 GLN H A 31 PHE HB2 1.0 . 4.79 578 414 A 30 GLN HA A 33 GLU HBx 1.0 . 2.86 579 414 A 30 GLN HA A 33 GLU HBy 1.0 . 2.86 580 415 A 31 PHE HD% A 31 PHE HA 1.0 . 4.32 581 416 A 31 PHE H A 31 PHE HD% 1.0 . 3.80 582 417 A 31 PHE H A 31 PHE HB2 1.0 . 2.91 583 418 A 31 PHE H A 31 PHE HB3 1.0 . 3.77 584 419 A 31 PHE H A 32 ARG H 1.0 . 3.40 585 420 A 31 PHE H A 32 ARG HB3 1.0 . 4.88 586 421 A 31 PHE HB2 A 32 ARG H 1.0 . 3.59 587 422 A 31 PHE HB3 A 32 ARG H 1.0 . 3.83 588 423 A 31 PHE H A 33 GLU H 1.0 . 4.49 589 424 A 31 PHE H A 34 PHE H 1.0 . 4.87 590 425 A 31 PHE HD% A 34 PHE HB2 1.0 . 5.19 591 425 A 31 PHE HD% A 34 PHE HB3 1.0 . 5.19 592 426 A 31 PHE O A 35 LEU H 1.0 . 2.00 593 427 A 31 PHE O A 35 LEU N 1.0 . 3.00 594 428 A 31 PHE HD% A 35 LEU HB2 1.0 . 5.50 595 429 A 31 PHE HB3 A 35 LEU HB2 1.0 . 5.50 596 430 A 32 ARG HA A 32 ARG HG3 1.0 . 3.76 597 431 A 32 ARG HA A 32 ARG HG2 1.0 . 4.08 598 432 A 32 ARG HA A 32 ARG HD2 1.0 . 3.62 599 433 A 32 ARG HA A 32 ARG HD3 1.0 . 3.80 600 434 A 32 ARG HB3 A 32 ARG HD3 1.0 . 4.02 601 435 A 32 ARG HB3 A 32 ARG HD2 1.0 . 3.75 602 436 A 32 ARG HB2 A 32 ARG HD3 1.0 . 4.20 603 437 A 32 ARG HB3 A 32 ARG H 1.0 . 3.21 604 438 A 32 ARG H A 32 ARG HB2 1.0 . 3.19 605 439 A 32 ARG H A 32 ARG HG2 1.0 . 5.06 606 440 A 32 ARG HA A 32 ARG HD3 1.0 . 3.30 607 440 A 32 ARG HA A 32 ARG HD2 1.0 . 3.30 608 441 A 32 ARG HA A 32 ARG HD3 1.0 . 3.30 609 441 A 32 ARG HA A 32 ARG HD2 1.0 . 3.30 610 442 A 32 ARG HB2 A 32 ARG HD3 1.0 . 4.20 611 443 A 32 ARG HB2 A 32 ARG HD3 1.0 . 4.20 612 444 A 32 ARG HB3 A 32 ARG HD3 1.0 . 3.45 613 444 A 32 ARG HB3 A 32 ARG HD2 1.0 . 3.45 614 445 A 32 ARG HB3 A 32 ARG HD3 1.0 . 3.45 615 445 A 32 ARG HB3 A 32 ARG HD2 1.0 . 3.45 616 446 A 32 ARG HG2 A 33 GLU HA 1.0 . 5.10 617 447 A 32 ARG HG3 A 33 GLU HA 1.0 . 3.84 618 448 A 32 ARG HG2 A 33 GLU HG2 1.0 . 5.50 619 449 A 32 ARG H A 33 GLU HG2 1.0 . 4.94 620 450 A 32 ARG H A 33 GLU H 1.0 . 3.55 621 451 A 32 ARG HB3 A 33 GLU H 1.0 . 3.35 622 452 A 33 GLU H A 32 ARG HB2 1.0 . 3.91 623 453 A 33 GLU H A 32 ARG HG3 1.0 . 4.14 624 454 A 33 GLU H A 32 ARG HG2 1.0 . 4.39 625 455 A 32 ARG H A 33 GLU HG2 1.0 . 4.94 626 456 A 32 ARG H A 33 GLU HG2 1.0 . 4.94 627 457 A 32 ARG H A 34 PHE H 1.0 . 4.96 628 458 A 34 PHE H A 32 ARG HA 1.0 . 4.95 629 459 A 35 LEU HB2 A 32 ARG HA 1.0 . 2.83 630 460 A 32 ARG HA A 35 LEU HD11 1.0 . 4.15 631 460 A 32 ARG HA A 35 LEU HD21 1.0 . 4.15 632 461 A 32 ARG HD2 A 35 LEU HB3 1.0 . 5.50 633 462 A 32 ARG HA A 35 LEU HB3 1.0 . 3.99 634 463 A 32 ARG HA A 35 LEU HG 1.0 . 4.51 635 464 A 32 ARG H A 35 LEU HB2 1.0 . 5.50 636 465 A 35 LEU H A 32 ARG HA 1.0 . 3.88 637 466 A 35 LEU H A 32 ARG HD2 1.0 . 5.50 638 467 A 32 ARG H A 35 LEU HD11 1.0 . 5.19 639 467 A 32 ARG H A 35 LEU HD21 1.0 . 5.19 640 468 A 32 ARG H A 35 LEU HD11 1.0 . 5.19 641 468 A 32 ARG H A 35 LEU HD21 1.0 . 5.19 642 469 A 32 ARG HE A 36 ASP HB3 1.0 . 4.56 643 470 A 32 ARG HE A 36 ASP HB2 1.0 . 4.56 644 471 A 32 ARG HA A 36 ASP H 1.0 . 5.50 645 472 A 32 ARG HE A 36 ASP H 1.0 . 4.95 646 473 A 33 GLU HA A 33 GLU HBx 1.0 . 2.92 647 473 A 33 GLU HBy A 33 GLU HA 1.0 . 2.92 648 474 A 33 GLU HA A 33 GLU HG2 1.0 . 3.43 649 475 A 33 GLU H A 33 GLU HG2 1.0 . 3.19 650 476 A 33 GLU H A 33 GLU HBx 1.0 . 2.98 651 476 A 33 GLU HBy A 33 GLU H 1.0 . 2.98 652 477 A 33 GLU H A 33 GLU HG2 1.0 . 3.19 653 478 A 33 GLU H A 33 GLU HG2 1.0 . 3.19 654 479 A 33 GLU H A 34 PHE H 1.0 . 3.57 655 480 A 34 PHE H A 33 GLU HG2 1.0 . 4.59 656 481 A 34 PHE H A 33 GLU HBx 1.0 . 3.50 657 481 A 33 GLU HBy A 34 PHE H 1.0 . 3.50 658 482 A 33 GLU H A 34 PHE HA 1.0 . 5.50 659 483 A 33 GLU H A 35 LEU H 1.0 . 4.79 660 484 A 35 LEU H A 33 GLU HA 1.0 . 4.76 661 485 A 35 LEU H A 33 GLU HBx 1.0 . 4.81 662 485 A 33 GLU HBy A 35 LEU H 1.0 . 4.81 663 486 A 36 ASP H A 33 GLU HBx 1.0 . 5.50 664 486 A 33 GLU HBy A 36 ASP H 1.0 . 5.50 665 487 A 33 GLU O A 37 TYR H 1.0 . 2.00 666 488 A 33 GLU O A 37 TYR N 1.0 . 3.00 667 489 A 34 PHE HA A 34 PHE HD% 1.0 . 4.27 668 490 A 34 PHE HD% A 35 LEU HA 1.0 . 5.50 669 491 A 35 LEU HB2 A 34 PHE HD% 1.0 . 5.50 670 492 A 34 PHE H A 35 LEU H 1.0 . 3.60 671 493 A 34 PHE HD% A 35 LEU HD11 1.0 . 4.10 672 493 A 35 LEU HD21 A 34 PHE HD% 1.0 . 4.10 673 494 A 35 LEU H A 34 PHE HB2 1.0 . 4.12 674 494 A 34 PHE HB3 A 35 LEU H 1.0 . 4.12 675 495 A 35 LEU HA A 34 PHE HB2 1.0 . 5.34 676 495 A 34 PHE HB3 A 35 LEU HA 1.0 . 5.34 677 496 A 34 PHE H A 36 ASP H 1.0 . 5.34 678 497 A 34 PHE O A 38 GLN H 1.0 . 2.00 679 498 A 34 PHE O A 38 GLN N 1.0 . 3.00 680 499 A 35 LEU HA A 35 LEU HD11 1.0 . 3.35 681 499 A 35 LEU HD21 A 35 LEU HA 1.0 . 3.35 682 500 A 35 LEU HB2 A 35 LEU HD11 1.0 . 3.37 683 500 A 35 LEU HB2 A 35 LEU HD21 1.0 . 3.37 684 501 A 35 LEU HG A 35 LEU HA 1.0 . 4.17 685 502 A 35 LEU HB3 A 35 LEU HD11 1.0 . 2.97 686 502 A 35 LEU HD21 A 35 LEU HB3 1.0 . 2.97 687 503 A 35 LEU HB2 A 36 ASP HA 1.0 . 5.50 688 504 A 36 ASP HA A 35 LEU HD11 1.0 . 5.22 689 504 A 35 LEU HD21 A 36 ASP HA 1.0 . 5.22 690 505 A 35 LEU HB3 A 36 ASP H 1.0 . 5.50 691 506 A 35 LEU H A 36 ASP H 1.0 . 3.59 692 507 A 35 LEU HA A 38 GLN HB2 1.0 . 4.68 693 508 A 35 LEU HA A 38 GLN HG3 1.0 . 4.95 694 508 A 35 LEU HA A 38 GLN HG2 1.0 . 4.95 695 509 A 35 LEU O A 39 LYS H 1.0 . 2.00 696 510 A 35 LEU O A 39 LYS N 1.0 . 3.00 697 511 A 35 LEU HB3 A 39 LYS HBx 1.0 . 5.20 698 511 A 35 LEU HB3 A 39 LYS HBy 1.0 . 5.20 699 512 A 35 LEU HD11 A 39 LYS HDx 1.0 . 4.28 700 512 A 35 LEU HD21 A 39 LYS HDx 1.0 . 4.28 701 512 A 39 LYS HDy A 35 LEU HD11 1.0 . 4.28 702 512 A 35 LEU HD21 A 39 LYS HDy 1.0 . 4.28 703 513 A 35 LEU HB3 A 39 LYS HE3 1.0 . 5.34 704 513 A 35 LEU HB3 A 39 LYS HE2 1.0 . 5.34 705 514 A 36 ASP H A 36 ASP HB3 1.0 . 3.75 706 515 A 36 ASP H A 36 ASP HB2 1.0 . 3.75 707 516 A 36 ASP H A 36 ASP HB3 1.0 . 3.10 708 516 A 36 ASP H A 36 ASP HB2 1.0 . 3.10 709 517 A 36 ASP H A 37 TYR H 1.0 . 3.45 710 518 A 36 ASP H A 37 TYR HB3 1.0 . 5.34 711 518 A 36 ASP H A 37 TYR HB2 1.0 . 5.34 712 519 A 37 TYR HA A 36 ASP HB3 1.0 . 4.42 713 519 A 36 ASP HB2 A 37 TYR HA 1.0 . 4.42 714 520 A 36 ASP H A 38 GLN H 1.0 . 4.76 715 521 A 36 ASP HA A 39 LYS HG3 1.0 . 4.43 716 522 A 36 ASP HA A 39 LYS HG2 1.0 . 5.50 717 523 A 36 ASP HA A 39 LYS HBx 1.0 . 3.56 718 523 A 36 ASP HA A 39 LYS HBy 1.0 . 3.56 719 524 A 36 ASP HA A 39 LYS HDx 1.0 . 3.53 720 524 A 36 ASP HA A 39 LYS HDy 1.0 . 3.53 721 525 A 36 ASP HA A 39 LYS HA 1.0 . 5.50 722 526 A 36 ASP HA A 39 LYS H 1.0 . 4.08 723 527 A 36 ASP HB2 A 39 LYS HBx 1.0 . 5.34 724 527 A 36 ASP HB3 A 39 LYS HBx 1.0 . 5.34 725 527 A 39 LYS HBy A 36 ASP HB3 1.0 . 5.34 726 527 A 39 LYS HBy A 36 ASP HB2 1.0 . 5.34 727 528 A 36 ASP O A 40 TRP H 1.0 . 2.00 728 529 A 36 ASP O A 40 TRP N 1.0 . 3.00 729 530 A 36 ASP HB2 A 40 TRP HE3 1.0 . 5.50 730 531 A 36 ASP HB2 A 40 TRP HE3 1.0 . 5.50 731 532 A 40 TRP HE3 A 36 ASP HB3 1.0 . 5.50 732 533 A 40 TRP HE3 A 36 ASP HB3 1.0 . 5.50 733 534 A 37 TYR H A 37 TYR HB3 1.0 . 3.69 734 535 A 37 TYR H A 37 TYR HB2 1.0 . 3.69 735 536 A 37 TYR H A 37 TYR HD% 1.0 . 4.25 736 537 A 37 TYR HA A 37 TYR HD% 1.0 . 3.33 737 538 A 37 TYR HD% A 38 GLN HA 1.0 . 5.50 738 539 A 38 GLN H A 37 TYR HD% 1.0 . 4.24 739 540 A 37 TYR HE% A 38 GLN HE21 1.0 . 4.32 740 541 A 37 TYR HE% A 38 GLN HE22 1.0 . 4.32 741 542 A 38 GLN H A 37 TYR HB3 1.0 . 3.47 742 542 A 38 GLN H A 37 TYR HB2 1.0 . 3.47 743 543 A 37 TYR HE% A 38 GLN HE21 1.0 . 3.69 744 543 A 37 TYR HE% A 38 GLN HE22 1.0 . 3.69 745 544 A 39 LYS H A 37 TYR HB3 1.0 . 5.34 746 544 A 39 LYS H A 37 TYR HB2 1.0 . 5.34 747 545 A 38 GLN HA A 38 GLN HE21 1.0 . 4.48 748 545 A 38 GLN HA A 38 GLN HE22 1.0 . 4.48 749 546 A 38 GLN HE21 A 38 GLN HB2 1.0 . 4.70 750 546 A 38 GLN HE22 A 38 GLN HB2 1.0 . 4.70 751 547 A 38 GLN HE22 A 38 GLN HG3 1.0 . 3.13 752 547 A 38 GLN HG2 A 38 GLN HE22 1.0 . 3.13 753 547 A 38 GLN HE21 A 38 GLN HG3 1.0 . 3.13 754 547 A 38 GLN HG2 A 38 GLN HE21 1.0 . 3.13 755 548 A 39 LYS HA A 38 GLN HA 1.0 . 5.50 756 549 A 38 GLN H A 39 LYS H 1.0 . 3.35 757 550 A 38 GLN O A 42 LYS H 1.0 . 2.00 758 551 A 38 GLN O A 42 LYS N 1.0 . 3.00 759 552 A 38 GLN HA A 42 LYS H 1.0 . 4.71 760 553 A 39 LYS HA A 39 LYS HDx 1.0 . 4.90 761 553 A 39 LYS HDy A 39 LYS HA 1.0 . 4.90 762 554 A 39 LYS HG3 A 39 LYS HBx 1.0 . 2.67 763 554 A 39 LYS HBy A 39 LYS HG3 1.0 . 2.67 764 555 A 39 LYS HBx A 39 LYS HDx 1.0 . 2.74 765 555 A 39 LYS HBy A 39 LYS HDx 1.0 . 2.74 766 555 A 39 LYS HDy A 39 LYS HBx 1.0 . 2.74 767 555 A 39 LYS HBy A 39 LYS HDy 1.0 . 2.74 768 556 A 39 LYS HE2 A 39 LYS HA 1.0 . 5.50 769 557 A 39 LYS HA A 39 LYS HE3 1.0 . 5.50 770 558 A 39 LYS HG3 A 39 LYS HA 1.0 . 3.96 771 559 A 39 LYS HG2 A 39 LYS HA 1.0 . 4.06 772 560 A 39 LYS HE2 A 39 LYS HBx 1.0 . 4.34 773 560 A 39 LYS HBy A 39 LYS HE2 1.0 . 4.34 774 561 A 39 LYS HBx A 39 LYS HE3 1.0 . 4.34 775 561 A 39 LYS HBy A 39 LYS HE3 1.0 . 4.34 776 562 A 39 LYS H A 39 LYS HG3 1.0 . 2.90 777 563 A 39 LYS HBx A 39 LYS HE3 1.0 . 3.79 778 563 A 39 LYS HBy A 39 LYS HE3 1.0 . 3.79 779 563 A 39 LYS HE2 A 39 LYS HBx 1.0 . 3.79 780 563 A 39 LYS HBy A 39 LYS HE2 1.0 . 3.79 781 564 A 39 LYS HG2 A 39 LYS HE3 1.0 . 2.99 782 564 A 39 LYS HE2 A 39 LYS HG2 1.0 . 2.99 783 565 A 39 LYS HG3 A 39 LYS HE3 1.0 . 3.58 784 565 A 39 LYS HE2 A 39 LYS HG3 1.0 . 3.58 785 566 A 39 LYS H A 40 TRP H 1.0 . 3.59 786 567 A 39 LYS H A 40 TRP HB2 1.0 . 4.81 787 568 A 39 LYS H A 40 TRP HB2 1.0 . 4.81 788 569 A 39 LYS H A 40 TRP HB2 1.0 . 4.70 789 569 A 39 LYS H A 40 TRP HB3 1.0 . 4.70 790 570 A 39 LYS H A 40 TRP HB2 1.0 . 4.70 791 570 A 39 LYS H A 40 TRP HB3 1.0 . 4.70 792 571 A 40 TRP HE3 A 39 LYS HBx 1.0 . 5.50 793 571 A 39 LYS HBy A 40 TRP HE3 1.0 . 5.50 794 572 A 40 TRP HE3 A 39 LYS HBx 1.0 . 5.50 795 572 A 39 LYS HBy A 40 TRP HE3 1.0 . 5.50 796 573 A 39 LYS HA A 41 ARG H 1.0 . 4.77 797 574 A 39 LYS HA A 42 LYS HBx 1.0 . 3.36 798 574 A 39 LYS HA A 42 LYS HBy 1.0 . 3.36 799 575 A 39 LYS H A 42 LYS HBx 1.0 . 4.84 800 575 A 39 LYS H A 42 LYS HBy 1.0 . 4.84 801 576 A 39 LYS O A 43 SER H 1.0 . 2.00 802 577 A 39 LYS O A 43 SER N 1.0 . 3.00 803 578 A 40 TRP H A 40 TRP HB2 1.0 . 3.24 804 579 A 41 ARG H A 40 TRP HB2 1.0 . 3.76 805 580 A 40 TRP H A 41 ARG H 1.0 . 3.23 806 581 A 40 TRP H A 42 LYS H 1.0 . 4.58 807 582 A 40 TRP HD1 A 44 GLN HG2 1.0 . 5.38 808 583 A 40 TRP HD1 A 44 GLN HE21 1.0 . 4.87 809 584 A 40 TRP HD1 A 44 GLN HE22 1.0 . 4.56 810 585 A 44 GLN HE21 A 40 TRP HA 1.0 . 3.99 811 586 A 44 GLN HE21 A 40 TRP HB2 1.0 . 4.95 812 587 A 40 TRP H A 44 GLN H 1.0 . 4.52 813 588 A 44 GLN HE21 A 40 TRP HB2 1.0 . 4.83 814 588 A 40 TRP HB3 A 44 GLN HE21 1.0 . 4.83 815 589 A 44 GLN HE21 A 40 TRP HB2 1.0 . 4.83 816 589 A 40 TRP HB3 A 44 GLN HE21 1.0 . 4.83 817 590 A 44 GLN HE22 A 40 TRP HB2 1.0 . 5.34 818 590 A 40 TRP HB3 A 44 GLN HE22 1.0 . 5.34 819 591 A 44 GLN HE22 A 40 TRP HB2 1.0 . 5.34 820 591 A 40 TRP HB3 A 44 GLN HE22 1.0 . 5.34 821 592 A 41 ARG HA A 41 ARG HGx 1.0 . 3.15 822 592 A 41 ARG HA A 41 ARG HGy 1.0 . 3.15 823 593 A 41 ARG HGy A 41 ARG HB3 1.0 . 2.61 824 593 A 41 ARG HB3 A 41 ARG HGx 1.0 . 2.61 825 594 A 41 ARG HGy A 41 ARG HB2 1.0 . 2.77 826 594 A 41 ARG HB2 A 41 ARG HGx 1.0 . 2.77 827 595 A 41 ARG HA A 41 ARG HD3 1.0 . 4.12 828 596 A 41 ARG HB2 A 41 ARG HD3 1.0 . 3.84 829 597 A 41 ARG HD2 A 41 ARG HB2 1.0 . 3.84 830 598 A 41 ARG HA A 41 ARG HD2 1.0 . 4.12 831 599 A 41 ARG H A 41 ARG HB3 1.0 . 3.34 832 600 A 41 ARG H A 41 ARG HGx 1.0 . 4.15 833 600 A 41 ARG H A 41 ARG HGy 1.0 . 4.15 834 601 A 41 ARG H A 41 ARG HB2 1.0 . 3.29 835 602 A 41 ARG H A 41 ARG HD3 1.0 . 4.68 836 602 A 41 ARG H A 41 ARG HD2 1.0 . 4.68 837 603 A 41 ARG HA A 41 ARG HD3 1.0 . 3.49 838 603 A 41 ARG HA A 41 ARG HD2 1.0 . 3.49 839 604 A 41 ARG HB3 A 41 ARG HGx 1.0 . 2.39 840 604 A 41 ARG HB2 A 41 ARG HGx 1.0 . 2.39 841 604 A 41 ARG HGy A 41 ARG HB3 1.0 . 2.39 842 604 A 41 ARG HGy A 41 ARG HB2 1.0 . 2.39 843 605 A 41 ARG HB2 A 41 ARG HGx 1.0 . 2.39 844 605 A 41 ARG HB3 A 41 ARG HGx 1.0 . 2.39 845 605 A 41 ARG HGy A 41 ARG HB3 1.0 . 2.39 846 605 A 41 ARG HGy A 41 ARG HB2 1.0 . 2.39 847 606 A 41 ARG H A 42 LYS HBx 1.0 . 4.54 848 606 A 41 ARG H A 42 LYS HBy 1.0 . 4.54 849 607 A 42 LYS H A 41 ARG H 1.0 . 3.34 850 608 A 42 LYS H A 41 ARG HB3 1.0 . 2.62 851 608 A 42 LYS H A 41 ARG HB2 1.0 . 2.62 852 609 A 42 LYS H A 41 ARG HB3 1.0 . 2.62 853 609 A 42 LYS H A 41 ARG HB2 1.0 . 2.62 854 610 A 41 ARG H A 43 SER H 1.0 . 5.47 855 611 A 41 ARG HB2 A 44 GLN HG2 1.0 . 6.00 856 611 A 41 ARG HB3 A 44 GLN HG2 1.0 . 6.00 857 611 A 44 GLN HG3 A 41 ARG HB3 1.0 . 6.00 858 611 A 41 ARG HB2 A 44 GLN HG3 1.0 . 6.00 859 612 A 41 ARG HA A 44 GLN HG3 1.0 . 4.85 860 613 A 41 ARG HA A 44 GLN HB2 1.0 . 5.14 861 614 A 41 ARG HA A 44 GLN HA 1.0 . 5.50 862 615 A 41 ARG H A 44 GLN HB2 1.0 . 5.50 863 616 A 41 ARG H A 44 GLN H 1.0 . 4.70 864 617 A 44 GLN H A 41 ARG HA 1.0 . 4.84 865 618 A 41 ARG HB2 A 44 GLN HG2 1.0 . 6.00 866 618 A 41 ARG HB3 A 44 GLN HG2 1.0 . 6.00 867 618 A 44 GLN HG3 A 41 ARG HB3 1.0 . 6.00 868 618 A 41 ARG HB2 A 44 GLN HG3 1.0 . 6.00 869 619 A 42 LYS HA A 42 LYS HEx 1.0 . 4.66 870 619 A 42 LYS HA A 42 LYS HEy 1.0 . 4.66 871 620 A 42 LYS HA A 42 LYS HBx 1.0 . 2.68 872 620 A 42 LYS HBy A 42 LYS HA 1.0 . 2.68 873 621 A 42 LYS HBy A 42 LYS HEx 1.0 . 3.92 874 621 A 42 LYS HBx A 42 LYS HEx 1.0 . 3.92 875 621 A 42 LYS HEy A 42 LYS HBx 1.0 . 3.92 876 621 A 42 LYS HBy A 42 LYS HEy 1.0 . 3.92 877 622 A 42 LYS H A 42 LYS HEx 1.0 . 3.96 878 622 A 42 LYS H A 42 LYS HEy 1.0 . 3.96 879 623 A 42 LYS HA A 42 LYS HG2 1.0 . 3.09 880 623 A 42 LYS HA A 42 LYS HG3 1.0 . 3.09 881 624 A 42 LYS HEy A 42 LYS HG2 1.0 . 2.98 882 624 A 42 LYS HEx A 42 LYS HG2 1.0 . 2.98 883 624 A 42 LYS HG3 A 42 LYS HEx 1.0 . 2.98 884 624 A 42 LYS HEy A 42 LYS HG3 1.0 . 2.98 885 625 A 42 LYS HBy A 43 SER HBx 1.0 . 5.50 886 625 A 42 LYS HBx A 43 SER HBx 1.0 . 5.50 887 625 A 43 SER HBy A 42 LYS HBx 1.0 . 5.50 888 625 A 42 LYS HBy A 43 SER HBy 1.0 . 5.50 889 626 A 43 SER H A 42 LYS HEx 1.0 . 5.31 890 626 A 43 SER H A 42 LYS HEy 1.0 . 5.31 891 627 A 42 LYS H A 43 SER H 1.0 . 2.85 892 628 A 43 SER H A 42 LYS HG2 1.0 . 4.46 893 628 A 43 SER H A 42 LYS HG3 1.0 . 4.46 894 629 A 42 LYS H A 44 GLN H 1.0 . 4.88 895 630 A 43 SER H A 43 SER HBx 1.0 . 3.07 896 630 A 43 SER H A 43 SER HBy 1.0 . 3.07 897 631 A 43 SER H A 44 GLN H 1.0 . 2.76 898 632 A 44 GLN H A 43 SER HBx 1.0 . 4.00 899 632 A 44 GLN H A 43 SER HBy 1.0 . 4.00 900 633 A 44 GLN H A 44 GLN HG3 1.0 . 5.46 901 634 A 44 GLN HG3 A 44 GLN HA 1.0 . 3.84 902 635 A 44 GLN HA A 44 GLN HG2 1.0 . 3.33 903 636 A 44 GLN H A 44 GLN HB2 1.0 . 3.38 904 637 A 44 GLN H A 44 GLN HG2 1.0 . 4.69 905 638 A 44 GLN HE21 A 44 GLN H 1.0 . 4.58 906 639 A 44 GLN HE21 A 44 GLN HA 1.0 . 4.05 907 640 A 44 GLN HE22 A 44 GLN HA 1.0 . 4.01 908 641 A 44 GLN HE22 A 44 GLN HG2 1.0 . 3.81 909 642 A 44 GLN HE21 A 44 GLN HG3 1.0 . 3.54 910 643 A 44 GLN HB3 A 45 LYS HA 1.0 . 5.50 911 644 A 44 GLN HA A 45 LYS HA 1.0 . 4.91 912 645 A 44 GLN H A 45 LYS H 1.0 . 3.42 913 646 A 44 GLN HA A 45 LYS H 1.0 . 3.09 914 647 A 44 GLN H A 45 LYS HG2 1.0 . 4.78 915 647 A 44 GLN H A 45 LYS HG3 1.0 . 4.78 916 648 A 44 GLN HA A 45 LYS HB2 1.0 . 5.34 917 648 A 44 GLN HA A 45 LYS HB3 1.0 . 5.34 918 649 A 44 GLN HA A 45 LYS HG2 1.0 . 5.34 919 649 A 44 GLN HA A 45 LYS HG3 1.0 . 5.34 920 650 A 44 GLN HE21 A 46 GLU HA 1.0 . 5.50 921 651 A 44 GLN HE22 A 46 GLU HA 1.0 . 5.50 922 652 A 44 GLN HE21 A 46 GLU HGx 1.0 . 5.50 923 652 A 44 GLN HE21 A 46 GLU HGy 1.0 . 5.50 924 653 A 45 LYS HDy A 45 LYS HEx 1.0 . 2.64 925 653 A 45 LYS HDx A 45 LYS HEx 1.0 . 2.64 926 653 A 45 LYS HEy A 45 LYS HDx 1.0 . 2.64 927 653 A 45 LYS HDy A 45 LYS HEy 1.0 . 2.64 928 654 A 45 LYS HA A 45 LYS HDx 1.0 . 4.45 929 654 A 45 LYS HA A 45 LYS HDy 1.0 . 4.45 930 655 A 45 LYS H A 45 LYS HDx 1.0 . 3.09 931 655 A 45 LYS H A 45 LYS HDy 1.0 . 3.09 932 656 A 45 LYS H A 45 LYS HG2 1.0 . 2.92 933 656 A 45 LYS H A 45 LYS HG3 1.0 . 2.92 934 657 A 45 LYS HA A 45 LYS HG2 1.0 . 3.69 935 657 A 45 LYS HA A 45 LYS HG3 1.0 . 3.69 936 658 A 45 LYS HB2 A 45 LYS HEx 1.0 . 4.69 937 658 A 45 LYS HEy A 45 LYS HB2 1.0 . 4.69 938 658 A 45 LYS HB3 A 45 LYS HEy 1.0 . 4.69 939 658 A 45 LYS HB3 A 45 LYS HEx 1.0 . 4.69 940 659 A 45 LYS HEx A 45 LYS HG2 1.0 . 3.36 941 659 A 45 LYS HEy A 45 LYS HG2 1.0 . 3.36 942 659 A 45 LYS HG3 A 45 LYS HEx 1.0 . 3.36 943 659 A 45 LYS HG3 A 45 LYS HEy 1.0 . 3.36 944 660 A 46 GLU HA A 46 GLU HGx 1.0 . 3.48 945 660 A 46 GLU HA A 46 GLU HGy 1.0 . 3.48 946 661 A 46 GLU H A 46 GLU HB2 1.0 . 3.52 947 661 A 46 GLU H A 46 GLU HB3 1.0 . 3.52 948 662 A 47 GLU H A 46 GLU HB2 1.0 . 4.44 949 662 A 46 GLU HB3 A 47 GLU H 1.0 . 4.44 950 663 A 47 GLU HA A 47 GLU HGx 1.0 . 4.02 951 663 A 47 GLU HA A 47 GLU HGy 1.0 . 4.02 952 664 A 6 TYR HE% A 18 VAL HGy% 1.0 . 4.50 953 665 A 6 TYR HE% A 19 ARG H 1.0 . 5.50 954 666 A 6 TYR HE% A 19 ARG HGx 1.0 . 5.22 955 666 A 6 TYR HE% A 19 ARG HGy 1.0 . 5.22 956 667 A 6 TYR HD% A 19 ARG HBx 1.0 . 5.29 957 667 A 6 TYR HD% A 19 ARG HBy 1.0 . 5.29 958 668 A 6 TYR HE% A 19 ARG H 1.0 . 5.50 959 669 A 6 TYR HE% A 19 ARG HGx 1.0 . 5.22 960 669 A 6 TYR HE% A 19 ARG HGy 1.0 . 5.22 961 670 A 6 TYR HD% A 19 ARG HBx 1.0 . 5.29 962 670 A 6 TYR HD% A 19 ARG HBy 1.0 . 5.29 963 671 A 6 TYR HB2 A 22 MET HB2 1.0 . 5.50 964 672 A 6 TYR HE% A 22 MET HE% 1.0 . 4.83 965 673 A 6 TYR HE% A 22 MET H 1.0 . 5.50 966 674 A 6 TYR HE% A 22 MET HB3 1.0 . 5.50 967 675 A 6 TYR HE% A 22 MET HB2 1.0 . 3.56 968 676 A 6 TYR HD% A 22 MET HE% 1.0 . 5.50 969 677 A 6 TYR HE% A 22 MET HE% 1.0 . 4.83 970 678 A 6 TYR HE% A 22 MET H 1.0 . 5.50 971 679 A 6 TYR HE% A 22 MET HB2 1.0 . 5.50 972 680 A 6 TYR HE% A 22 MET HB3 1.0 . 3.56 973 681 A 6 TYR HD% A 22 MET HE% 1.0 . 5.50 974 682 A 22 MET HB3 A 6 TYR HB3 1.0 . 5.34 975 682 A 6 TYR HB2 A 22 MET HB3 1.0 . 5.34 976 683 A 6 TYR HB2 A 23 THR HG2% 1.0 . 4.04 977 684 A 6 TYR HB2 A 23 THR H 1.0 . 5.50 978 685 A 6 TYR HD% A 23 THR HG2% 1.0 . 4.49 979 686 A 6 TYR HE% A 23 THR HG2% 1.0 . 4.53 980 687 A 6 TYR HD% A 23 THR HG2% 1.0 . 4.49 981 688 A 6 TYR HE% A 23 THR HG2% 1.0 . 4.53 982 689 A 23 THR H A 6 TYR HB3 1.0 . 5.34 983 689 A 6 TYR HB2 A 23 THR H 1.0 . 5.34 984 690 A 23 THR HG2% A 6 TYR HB3 1.0 . 3.97 985 690 A 6 TYR HB2 A 23 THR HG2% 1.0 . 3.97 986 691 A 7 ASP H A 23 THR HG2% 1.0 . 5.50 987 692 A 7 ASP H A 23 THR HG2% 1.0 . 5.50 988 693 A 10 LEU HA A 18 VAL HGx% 1.0 . 5.50 989 694 A 10 LEU HA A 18 VAL HGy% 1.0 . 5.50 990 695 A 10 LEU HB2 A 18 VAL HGx% 1.0 . 4.68 991 696 A 10 LEU HDy% A 18 VAL HA 1.0 . 4.47 992 697 A 10 LEU HDy% A 18 VAL HGy% 1.0 . 2.50 993 698 A 10 LEU HG A 18 VAL HGy% 1.0 . 4.62 994 699 A 10 LEU HG A 18 VAL HGx% 1.0 . 3.51 995 700 A 10 LEU HA A 18 VAL HGy% 1.0 . 5.50 996 701 A 10 LEU HA A 18 VAL HGx% 1.0 . 5.50 997 702 A 10 LEU HB2 A 18 VAL HGy% 1.0 . 4.68 998 703 A 10 LEU HG A 18 VAL HGx% 1.0 . 4.62 999 704 A 10 LEU HG A 18 VAL HGy% 1.0 . 3.51 1000 705 A 18 VAL HA A 10 LEU HDx% 1.0 . 4.44 1001 705 A 10 LEU HDy% A 18 VAL HA 1.0 . 4.44 1002 706 A 18 VAL HGx% A 10 LEU HDx% 1.0 . 2.50 1003 706 A 10 LEU HDy% A 18 VAL HGx% 1.0 . 2.50 1004 707 A 10 LEU HB2 A 18 VAL HGy% 1.0 . 4.68 1005 708 A 10 LEU HB2 A 19 ARG HD3 1.0 . 3.49 1006 709 A 10 LEU HA A 19 ARG HD2 1.0 . 5.50 1007 710 A 10 LEU HA A 19 ARG HD3 1.0 . 5.20 1008 711 A 10 LEU HB2 A 19 ARG HGx 1.0 . 3.43 1009 711 A 10 LEU HB2 A 19 ARG HGy 1.0 . 3.43 1010 712 A 10 LEU HDy% A 19 ARG HGy 1.0 . 3.11 1011 712 A 10 LEU HDy% A 19 ARG HGx 1.0 . 3.11 1012 713 A 10 LEU H A 19 ARG HD3 1.0 . 4.89 1013 714 A 10 LEU HDy% A 19 ARG HA 1.0 . 3.32 1014 715 A 10 LEU HDy% A 19 ARG HBy 1.0 . 3.43 1015 715 A 10 LEU HDy% A 19 ARG HBx 1.0 . 3.43 1016 716 A 10 LEU HDy% A 19 ARG HD2 1.0 . 4.17 1017 717 A 10 LEU HDy% A 19 ARG HD3 1.0 . 3.67 1018 718 A 10 LEU HA A 19 ARG HD2 1.0 . 5.50 1019 719 A 10 LEU HA A 19 ARG HD3 1.0 . 5.50 1020 720 A 10 LEU HB2 A 19 ARG HGx 1.0 . 3.43 1021 720 A 10 LEU HB2 A 19 ARG HGy 1.0 . 3.43 1022 721 A 10 LEU H A 19 ARG HD3 1.0 . 4.77 1023 721 A 10 LEU H A 19 ARG HD2 1.0 . 4.77 1024 722 A 10 LEU HA A 19 ARG HD3 1.0 . 4.75 1025 722 A 10 LEU HA A 19 ARG HD2 1.0 . 4.75 1026 723 A 10 LEU HB2 A 19 ARG HD3 1.0 . 3.44 1027 723 A 10 LEU HB2 A 19 ARG HD2 1.0 . 3.44 1028 724 A 19 ARG HA A 10 LEU HDx% 1.0 . 3.31 1029 724 A 10 LEU HDy% A 19 ARG HA 1.0 . 3.31 1030 725 A 10 LEU HDy% A 19 ARG HBx 1.0 . 3.42 1031 725 A 10 LEU HDx% A 19 ARG HBx 1.0 . 3.42 1032 725 A 19 ARG HBy A 10 LEU HDx% 1.0 . 3.42 1033 725 A 10 LEU HDy% A 19 ARG HBy 1.0 . 3.42 1034 726 A 10 LEU HDx% A 19 ARG HGx 1.0 . 3.10 1035 726 A 10 LEU HDy% A 19 ARG HGx 1.0 . 3.10 1036 726 A 19 ARG HGy A 10 LEU HDx% 1.0 . 3.10 1037 726 A 10 LEU HDy% A 19 ARG HGy 1.0 . 3.10 1038 727 A 10 LEU HDy% A 19 ARG HD3 1.0 . 3.43 1039 727 A 10 LEU HDx% A 19 ARG HD3 1.0 . 3.43 1040 727 A 19 ARG HD2 A 10 LEU HDx% 1.0 . 3.43 1041 727 A 10 LEU HDy% A 19 ARG HD2 1.0 . 3.43 1042 728 A 10 LEU HDy% A 20 ASP H 1.0 . 4.86 1043 729 A 20 ASP H A 10 LEU HDx% 1.0 . 4.82 1044 729 A 10 LEU HDy% A 20 ASP H 1.0 . 4.82 1045 730 A 10 LEU HDy% A 22 MET H 1.0 . 4.77 1046 731 A 22 MET H A 10 LEU HDx% 1.0 . 4.73 1047 731 A 10 LEU HDy% A 22 MET H 1.0 . 4.73 1048 732 A 11 ASP HB2 A 22 MET HE% 1.0 . 4.80 1049 733 A 11 ASP HB2 A 22 MET HG2 1.0 . 5.06 1050 734 A 11 ASP HB3 A 22 MET HE% 1.0 . 4.29 1051 735 A 11 ASP HB3 A 22 MET HE% 1.0 . 4.80 1052 736 A 11 ASP HB2 A 22 MET HB3 1.0 . 5.50 1053 737 A 11 ASP HB2 A 22 MET HG3 1.0 . 5.50 1054 738 A 11 ASP HB3 A 22 MET HG3 1.0 . 5.06 1055 739 A 11 ASP HB2 A 22 MET HE% 1.0 . 4.29 1056 740 A 11 ASP HB3 A 22 MET HG2 1.0 . 5.50 1057 741 A 14 TRP HB2 A 18 VAL HGy% 1.0 . 4.26 1058 742 A 14 TRP HA A 18 VAL HGx% 1.0 . 5.50 1059 743 A 14 TRP HB2 A 18 VAL HGx% 1.0 . 3.64 1060 744 A 14 TRP HB2 A 18 VAL HGx% 1.0 . 4.26 1061 745 A 14 TRP HA A 18 VAL HGy% 1.0 . 5.50 1062 746 A 14 TRP HB2 A 18 VAL HGy% 1.0 . 3.64 1063 747 A 14 TRP HB3 A 18 VAL HGy% 1.0 . 3.70 1064 748 A 14 TRP HD1 A 18 VAL HGy% 1.0 . 3.89 1065 749 A 14 TRP HD1 A 22 MET HA 1.0 . 5.50 1066 750 A 14 TRP HD1 A 22 MET HG3 1.0 . 5.50 1067 751 A 14 TRP HD1 A 22 MET HG2 1.0 . 4.56 1068 752 A 14 TRP HA A 22 MET HE% 1.0 . 5.50 1069 753 A 14 TRP HE1 A 22 MET HA 1.0 . 5.50 1070 754 A 14 TRP HE1 A 22 MET HE% 1.0 . 4.33 1071 755 A 14 TRP HZ2 A 22 MET HE% 1.0 . 4.37 1072 756 A 14 TRP HD1 A 22 MET HA 1.0 . 5.50 1073 757 A 14 TRP HD1 A 22 MET HG2 1.0 . 5.50 1074 758 A 14 TRP HD1 A 22 MET HG3 1.0 . 4.56 1075 759 A 14 TRP HA A 22 MET HE% 1.0 . 5.50 1076 760 A 14 TRP HE1 A 22 MET HA 1.0 . 5.50 1077 761 A 14 TRP HE1 A 22 MET HE% 1.0 . 4.33 1078 762 A 14 TRP HZ2 A 22 MET HE% 1.0 . 4.37 1079 763 A 15 GLU HA A 18 VAL HGx% 1.0 . 3.80 1080 764 A 15 GLU H A 18 VAL HGx% 1.0 . 4.65 1081 765 A 15 GLU HA A 18 VAL HGy% 1.0 . 3.92 1082 766 A 15 GLU H A 18 VAL HGy% 1.0 . 4.65 1083 767 A 15 GLU HA A 18 VAL HGx% 1.0 . 3.92 1084 768 A 15 GLU HA A 18 VAL HGy% 1.0 . 3.80 1085 769 A 17 LEU HDy% A 31 PHE HD% 1.0 . 5.32 1086 770 A 17 LEU HDx% A 31 PHE HB3 1.0 . 5.50 1087 771 A 17 LEU HB3 A 31 PHE HD% 1.0 . 5.38 1088 772 A 17 LEU HB2 A 31 PHE HD% 1.0 . 4.33 1089 773 A 17 LEU HB3 A 31 PHE HB3 1.0 . 5.41 1090 774 A 17 LEU HB2 A 31 PHE HB3 1.0 . 4.79 1091 775 A 17 LEU HDx% A 31 PHE HD% 1.0 . 3.96 1092 776 A 17 LEU HDx% A 31 PHE HB2 1.0 . 4.01 1093 777 A 17 LEU HDy% A 31 PHE HA 1.0 . 5.16 1094 778 A 17 LEU HDy% A 31 PHE HD% 1.0 . 5.32 1095 779 A 17 LEU HDx% A 31 PHE HB3 1.0 . 5.50 1096 780 A 17 LEU HB2 A 31 PHE HD% 1.0 . 5.38 1097 781 A 17 LEU HB3 A 31 PHE HD% 1.0 . 4.33 1098 782 A 17 LEU HB2 A 31 PHE HB3 1.0 . 5.41 1099 783 A 17 LEU HB3 A 31 PHE HB3 1.0 . 4.79 1100 784 A 17 LEU HDx% A 31 PHE HD% 1.0 . 3.96 1101 785 A 17 LEU HDx% A 31 PHE HB2 1.0 . 4.01 1102 786 A 17 LEU HDy% A 31 PHE HA 1.0 . 5.16 1103 787 A 17 LEU HDx% A 32 ARG HA 1.0 . 5.43 1104 788 A 17 LEU HDx% A 32 ARG HG2 1.0 . 5.25 1105 789 A 17 LEU HDx% A 32 ARG HG3 1.0 . 5.09 1106 790 A 17 LEU HA A 32 ARG HD3 1.0 . 5.45 1107 791 A 17 LEU HG A 32 ARG HA 1.0 . 5.18 1108 792 A 17 LEU HG A 32 ARG HD3 1.0 . 4.81 1109 793 A 17 LEU HDx% A 32 ARG HD3 1.0 . 4.36 1110 794 A 17 LEU HDy% A 32 ARG HD3 1.0 . 3.44 1111 795 A 17 LEU HDy% A 32 ARG HB2 1.0 . 3.04 1112 796 A 17 LEU HDx% A 32 ARG H 1.0 . 5.50 1113 797 A 17 LEU HDx% A 32 ARG HD2 1.0 . 4.18 1114 798 A 17 LEU HDx% A 32 ARG HA 1.0 . 5.43 1115 799 A 17 LEU HDx% A 32 ARG HG2 1.0 . 5.25 1116 800 A 17 LEU HDx% A 32 ARG HG3 1.0 . 5.09 1117 801 A 17 LEU HA A 32 ARG HD2 1.0 . 5.45 1118 802 A 17 LEU HG A 32 ARG HA 1.0 . 5.18 1119 803 A 17 LEU HG A 32 ARG HD2 1.0 . 4.81 1120 804 A 17 LEU HDx% A 32 ARG HD2 1.0 . 4.36 1121 805 A 17 LEU HDy% A 32 ARG HD2 1.0 . 3.44 1122 806 A 17 LEU HDy% A 32 ARG HB2 1.0 . 3.04 1123 807 A 17 LEU HDx% A 32 ARG H 1.0 . 5.50 1124 808 A 17 LEU HDx% A 32 ARG HD3 1.0 . 4.18 1125 809 A 17 LEU HA A 35 LEU HD11 1.0 . 4.26 1126 809 A 17 LEU HA A 35 LEU HD21 1.0 . 4.26 1127 810 A 17 LEU HA A 35 LEU HD11 1.0 . 4.26 1128 810 A 17 LEU HA A 35 LEU HD21 1.0 . 4.26 1129 811 A 6 TYR HE% A 18 VAL HGy% 1.0 . 4.50 1130 812 A 10 LEU HA A 18 VAL HGx% 1.0 . 5.50 1131 813 A 10 LEU HA A 18 VAL HGy% 1.0 . 5.50 1132 814 A 10 LEU HB2 A 18 VAL HGx% 1.0 . 4.68 1133 815 A 10 LEU HDy% A 18 VAL HA 1.0 . 4.47 1134 816 A 10 LEU HDy% A 18 VAL HGy% 1.0 . 2.50 1135 817 A 10 LEU HG A 18 VAL HGy% 1.0 . 4.62 1136 818 A 10 LEU HG A 18 VAL HGx% 1.0 . 3.51 1137 819 A 10 LEU HA A 18 VAL HGy% 1.0 . 5.50 1138 820 A 10 LEU HA A 18 VAL HGx% 1.0 . 5.50 1139 821 A 10 LEU HB2 A 18 VAL HGy% 1.0 . 4.68 1140 822 A 10 LEU HG A 18 VAL HGx% 1.0 . 4.62 1141 823 A 10 LEU HG A 18 VAL HGy% 1.0 . 3.51 1142 824 A 18 VAL HA A 10 LEU HDx% 1.0 . 4.44 1143 824 A 10 LEU HDy% A 18 VAL HA 1.0 . 4.44 1144 825 A 18 VAL HGx% A 10 LEU HDx% 1.0 . 2.50 1145 825 A 10 LEU HDy% A 18 VAL HGx% 1.0 . 2.50 1146 826 A 10 LEU HB2 A 18 VAL HGy% 1.0 . 4.68 1147 827 A 14 TRP HB2 A 18 VAL HGy% 1.0 . 4.26 1148 828 A 14 TRP HA A 18 VAL HGx% 1.0 . 5.50 1149 829 A 14 TRP HB2 A 18 VAL HGx% 1.0 . 3.64 1150 830 A 14 TRP HB2 A 18 VAL HGx% 1.0 . 4.26 1151 831 A 14 TRP HA A 18 VAL HGy% 1.0 . 5.50 1152 832 A 14 TRP HB2 A 18 VAL HGy% 1.0 . 3.64 1153 833 A 14 TRP HB3 A 18 VAL HGy% 1.0 . 3.70 1154 834 A 14 TRP HD1 A 18 VAL HGy% 1.0 . 3.89 1155 835 A 15 GLU HA A 18 VAL HGx% 1.0 . 3.80 1156 836 A 15 GLU H A 18 VAL HGx% 1.0 . 4.65 1157 837 A 15 GLU HA A 18 VAL HGy% 1.0 . 3.92 1158 838 A 15 GLU H A 18 VAL HGy% 1.0 . 4.65 1159 839 A 15 GLU HA A 18 VAL HGx% 1.0 . 3.92 1160 840 A 15 GLU HA A 18 VAL HGy% 1.0 . 3.80 1161 841 A 18 VAL H A 18 VAL HGy% 1.0 . 4.97 1162 842 A 18 VAL H A 18 VAL HGy% 1.0 . 4.97 1163 843 A 18 VAL H A 18 VAL HGx% 1.0 . 5.40 1164 844 A 18 VAL H A 18 VAL HGx% 1.0 . 5.40 1165 845 A 18 VAL H A 18 VAL HGx% 1.0 . 4.97 1166 846 A 18 VAL H A 18 VAL HGx% 1.0 . 4.97 1167 847 A 18 VAL H A 18 VAL HGy% 1.0 . 5.40 1168 848 A 18 VAL H A 18 VAL HGy% 1.0 . 5.40 1169 849 A 18 VAL HA A 35 LEU HD11 1.0 . 4.26 1170 849 A 18 VAL HA A 35 LEU HD21 1.0 . 4.26 1171 850 A 18 VAL HA A 35 LEU HD11 1.0 . 4.26 1172 850 A 18 VAL HA A 35 LEU HD21 1.0 . 4.26 1173 851 A 6 TYR HE% A 19 ARG H 1.0 . 5.50 1174 852 A 6 TYR HE% A 19 ARG HGx 1.0 . 5.22 1175 852 A 6 TYR HE% A 19 ARG HGy 1.0 . 5.22 1176 853 A 6 TYR HD% A 19 ARG HBx 1.0 . 5.29 1177 853 A 6 TYR HD% A 19 ARG HBy 1.0 . 5.29 1178 854 A 6 TYR HE% A 19 ARG H 1.0 . 5.50 1179 855 A 6 TYR HE% A 19 ARG HGx 1.0 . 5.22 1180 855 A 6 TYR HE% A 19 ARG HGy 1.0 . 5.22 1181 856 A 6 TYR HD% A 19 ARG HBx 1.0 . 5.29 1182 856 A 6 TYR HD% A 19 ARG HBy 1.0 . 5.29 1183 857 A 10 LEU HB2 A 19 ARG HD3 1.0 . 3.49 1184 858 A 10 LEU HA A 19 ARG HD2 1.0 . 5.50 1185 859 A 10 LEU HA A 19 ARG HD3 1.0 . 5.20 1186 860 A 10 LEU HB2 A 19 ARG HGx 1.0 . 3.43 1187 860 A 10 LEU HB2 A 19 ARG HGy 1.0 . 3.43 1188 861 A 10 LEU HDy% A 19 ARG HGy 1.0 . 3.11 1189 861 A 10 LEU HDy% A 19 ARG HGx 1.0 . 3.11 1190 862 A 10 LEU H A 19 ARG HD3 1.0 . 4.89 1191 863 A 10 LEU HDy% A 19 ARG HA 1.0 . 3.32 1192 864 A 10 LEU HDy% A 19 ARG HBy 1.0 . 3.43 1193 864 A 10 LEU HDy% A 19 ARG HBx 1.0 . 3.43 1194 865 A 10 LEU HDy% A 19 ARG HD2 1.0 . 4.17 1195 866 A 10 LEU HDy% A 19 ARG HD3 1.0 . 3.67 1196 867 A 10 LEU HA A 19 ARG HD2 1.0 . 5.50 1197 868 A 10 LEU HA A 19 ARG HD3 1.0 . 5.50 1198 869 A 10 LEU HB2 A 19 ARG HGx 1.0 . 3.43 1199 869 A 10 LEU HB2 A 19 ARG HGy 1.0 . 3.43 1200 870 A 19 ARG HA A 10 LEU HDx% 1.0 . 3.31 1201 870 A 10 LEU HDy% A 19 ARG HA 1.0 . 3.31 1202 871 A 10 LEU HDy% A 19 ARG HBx 1.0 . 3.42 1203 871 A 10 LEU HDx% A 19 ARG HBx 1.0 . 3.42 1204 871 A 19 ARG HBy A 10 LEU HDx% 1.0 . 3.42 1205 871 A 10 LEU HDy% A 19 ARG HBy 1.0 . 3.42 1206 872 A 10 LEU HDx% A 19 ARG HGx 1.0 . 3.10 1207 872 A 10 LEU HDy% A 19 ARG HGx 1.0 . 3.10 1208 872 A 19 ARG HGy A 10 LEU HDx% 1.0 . 3.10 1209 872 A 10 LEU HDy% A 19 ARG HGy 1.0 . 3.10 1210 873 A 10 LEU H A 19 ARG HD3 1.0 . 4.77 1211 873 A 10 LEU H A 19 ARG HD2 1.0 . 4.77 1212 874 A 10 LEU HA A 19 ARG HD3 1.0 . 4.75 1213 874 A 10 LEU HA A 19 ARG HD2 1.0 . 4.75 1214 875 A 10 LEU HB2 A 19 ARG HD3 1.0 . 3.44 1215 875 A 10 LEU HB2 A 19 ARG HD2 1.0 . 3.44 1216 876 A 10 LEU HDy% A 19 ARG HD3 1.0 . 3.43 1217 876 A 10 LEU HDx% A 19 ARG HD3 1.0 . 3.43 1218 876 A 19 ARG HD2 A 10 LEU HDx% 1.0 . 3.43 1219 876 A 10 LEU HDy% A 19 ARG HD2 1.0 . 3.43 1220 877 A 10 LEU HDy% A 20 ASP H 1.0 . 4.86 1221 878 A 20 ASP H A 10 LEU HDx% 1.0 . 4.82 1222 878 A 10 LEU HDy% A 20 ASP H 1.0 . 4.82 1223 879 A 20 ASP HA A 35 LEU HD11 1.0 . 4.70 1224 879 A 20 ASP HA A 35 LEU HD21 1.0 . 4.70 1225 880 A 20 ASP H A 35 LEU HD11 1.0 . 4.29 1226 880 A 20 ASP H A 35 LEU HD21 1.0 . 4.29 1227 881 A 20 ASP HB3 A 35 LEU HG 1.0 . 4.36 1228 882 A 20 ASP HB2 A 35 LEU HG 1.0 . 4.30 1229 883 A 20 ASP HB3 A 35 LEU HD11 1.0 . 3.62 1230 883 A 20 ASP HB3 A 35 LEU HD21 1.0 . 3.62 1231 884 A 20 ASP HB2 A 35 LEU HD11 1.0 . 2.95 1232 884 A 20 ASP HB2 A 35 LEU HD21 1.0 . 2.95 1233 885 A 20 ASP HA A 35 LEU HD11 1.0 . 4.70 1234 885 A 20 ASP HA A 35 LEU HD21 1.0 . 4.70 1235 886 A 20 ASP H A 35 LEU HD11 1.0 . 4.29 1236 886 A 20 ASP H A 35 LEU HD21 1.0 . 4.29 1237 887 A 20 ASP HB2 A 35 LEU HG 1.0 . 4.36 1238 888 A 20 ASP HB3 A 35 LEU HG 1.0 . 4.30 1239 889 A 20 ASP HB2 A 35 LEU HD11 1.0 . 3.62 1240 889 A 20 ASP HB2 A 35 LEU HD21 1.0 . 3.62 1241 890 A 20 ASP HB3 A 35 LEU HD11 1.0 . 2.95 1242 890 A 20 ASP HB3 A 35 LEU HD21 1.0 . 2.95 1243 891 A 21 ALA HB% A 35 LEU HB3 1.0 . 4.97 1244 892 A 21 ALA HB% A 35 LEU HG 1.0 . 3.58 1245 893 A 21 ALA HA A 35 LEU HD11 1.0 . 2.76 1246 893 A 21 ALA HA A 35 LEU HD21 1.0 . 2.76 1247 894 A 21 ALA HA A 35 LEU HG 1.0 . 5.00 1248 895 A 21 ALA HB% A 35 LEU HD11 1.0 . 2.79 1249 895 A 21 ALA HB% A 35 LEU HD21 1.0 . 2.79 1250 896 A 21 ALA HB% A 35 LEU HB2 1.0 . 4.97 1251 897 A 21 ALA HB% A 35 LEU HG 1.0 . 3.58 1252 898 A 21 ALA HA A 35 LEU HD11 1.0 . 2.76 1253 898 A 21 ALA HA A 35 LEU HD21 1.0 . 2.76 1254 899 A 21 ALA HA A 35 LEU HG 1.0 . 5.00 1255 900 A 21 ALA HB% A 35 LEU HD11 1.0 . 2.79 1256 900 A 21 ALA HB% A 35 LEU HD21 1.0 . 2.79 1257 901 A 21 ALA HB% A 39 LYS HDx 1.0 . 5.30 1258 901 A 21 ALA HB% A 39 LYS HDy 1.0 . 5.30 1259 902 A 21 ALA HB% A 39 LYS HDx 1.0 . 5.30 1260 902 A 21 ALA HB% A 39 LYS HDy 1.0 . 5.30 1261 903 A 6 TYR HB2 A 22 MET HB2 1.0 . 5.50 1262 904 A 6 TYR HE% A 22 MET HE% 1.0 . 4.83 1263 905 A 6 TYR HE% A 22 MET H 1.0 . 5.50 1264 906 A 6 TYR HE% A 22 MET HB3 1.0 . 5.50 1265 907 A 6 TYR HE% A 22 MET HB2 1.0 . 3.56 1266 908 A 6 TYR HD% A 22 MET HE% 1.0 . 5.50 1267 909 A 6 TYR HE% A 22 MET HE% 1.0 . 4.83 1268 910 A 6 TYR HE% A 22 MET H 1.0 . 5.50 1269 911 A 6 TYR HE% A 22 MET HB2 1.0 . 5.50 1270 912 A 6 TYR HE% A 22 MET HB3 1.0 . 3.56 1271 913 A 6 TYR HD% A 22 MET HE% 1.0 . 5.50 1272 914 A 22 MET HB3 A 6 TYR HB3 1.0 . 5.34 1273 914 A 6 TYR HB2 A 22 MET HB3 1.0 . 5.34 1274 915 A 10 LEU HDy% A 22 MET H 1.0 . 4.77 1275 916 A 22 MET H A 10 LEU HDx% 1.0 . 4.73 1276 916 A 10 LEU HDy% A 22 MET H 1.0 . 4.73 1277 917 A 11 ASP HB2 A 22 MET HE% 1.0 . 4.80 1278 918 A 11 ASP HB2 A 22 MET HG2 1.0 . 5.06 1279 919 A 11 ASP HB3 A 22 MET HE% 1.0 . 4.29 1280 920 A 11 ASP HB3 A 22 MET HE% 1.0 . 4.80 1281 921 A 11 ASP HB2 A 22 MET HB3 1.0 . 5.50 1282 922 A 11 ASP HB2 A 22 MET HG3 1.0 . 5.50 1283 923 A 11 ASP HB3 A 22 MET HG3 1.0 . 5.06 1284 924 A 11 ASP HB2 A 22 MET HE% 1.0 . 4.29 1285 925 A 11 ASP HB3 A 22 MET HG2 1.0 . 5.50 1286 926 A 14 TRP HD1 A 22 MET HA 1.0 . 5.50 1287 927 A 14 TRP HD1 A 22 MET HG3 1.0 . 5.50 1288 928 A 14 TRP HD1 A 22 MET HG2 1.0 . 4.56 1289 929 A 14 TRP HA A 22 MET HE% 1.0 . 5.50 1290 930 A 14 TRP HE1 A 22 MET HA 1.0 . 5.50 1291 931 A 14 TRP HE1 A 22 MET HE% 1.0 . 4.33 1292 932 A 14 TRP HZ2 A 22 MET HE% 1.0 . 4.37 1293 933 A 14 TRP HD1 A 22 MET HA 1.0 . 5.50 1294 934 A 14 TRP HD1 A 22 MET HG2 1.0 . 5.50 1295 935 A 14 TRP HD1 A 22 MET HG3 1.0 . 4.56 1296 936 A 14 TRP HA A 22 MET HE% 1.0 . 5.50 1297 937 A 14 TRP HE1 A 22 MET HA 1.0 . 5.50 1298 938 A 14 TRP HE1 A 22 MET HE% 1.0 . 4.33 1299 939 A 14 TRP HZ2 A 22 MET HE% 1.0 . 4.37 1300 940 A 6 TYR HB2 A 23 THR HG2% 1.0 . 4.04 1301 941 A 6 TYR HB2 A 23 THR H 1.0 . 5.50 1302 942 A 6 TYR HD% A 23 THR HG2% 1.0 . 4.49 1303 943 A 6 TYR HE% A 23 THR HG2% 1.0 . 4.53 1304 944 A 6 TYR HD% A 23 THR HG2% 1.0 . 4.49 1305 945 A 6 TYR HE% A 23 THR HG2% 1.0 . 4.53 1306 946 A 23 THR H A 6 TYR HB3 1.0 . 5.34 1307 946 A 6 TYR HB2 A 23 THR H 1.0 . 5.34 1308 947 A 23 THR HG2% A 6 TYR HB3 1.0 . 3.97 1309 947 A 6 TYR HB2 A 23 THR HG2% 1.0 . 3.97 1310 948 A 7 ASP H A 23 THR HG2% 1.0 . 5.50 1311 949 A 7 ASP H A 23 THR HG2% 1.0 . 5.50 1312 950 A 35 LEU HD21 A 24 SER HB3 1.0 . 3.90 1313 950 A 24 SER HB3 A 35 LEU HD11 1.0 . 3.90 1314 951 A 24 SER HB2 A 35 LEU HD21 1.0 . 4.68 1315 951 A 24 SER HB2 A 35 LEU HD11 1.0 . 4.68 1316 952 A 24 SER HB3 A 35 LEU HD11 1.0 . 3.72 1317 952 A 24 SER HB2 A 35 LEU HD11 1.0 . 3.72 1318 952 A 35 LEU HD21 A 24 SER HB3 1.0 . 3.72 1319 952 A 24 SER HB2 A 35 LEU HD21 1.0 . 3.72 1320 953 A 39 LYS HA A 24 SER HB3 1.0 . 4.30 1321 954 A 24 SER HB2 A 39 LYS HE3 1.0 . 4.89 1322 955 A 24 SER HB2 A 39 LYS HG2 1.0 . 3.83 1323 956 A 24 SER HA A 39 LYS HE2 1.0 . 5.50 1324 957 A 24 SER HA A 39 LYS HE3 1.0 . 5.50 1325 958 A 24 SER H A 39 LYS HG3 1.0 . 5.50 1326 959 A 24 SER HA A 39 LYS HG2 1.0 . 4.76 1327 960 A 39 LYS HE2 A 24 SER HB3 1.0 . 4.25 1328 961 A 39 LYS HG3 A 24 SER HB3 1.0 . 3.74 1329 962 A 39 LYS HG2 A 24 SER HB3 1.0 . 5.47 1330 963 A 24 SER HB2 A 39 LYS HG3 1.0 . 4.37 1331 964 A 24 SER HB2 A 39 LYS HE2 1.0 . 4.66 1332 965 A 24 SER HA A 39 LYS HE2 1.0 . 5.50 1333 966 A 24 SER HA A 39 LYS HE3 1.0 . 5.50 1334 967 A 24 SER H A 39 LYS HG3 1.0 . 5.50 1335 968 A 24 SER HA A 39 LYS HG2 1.0 . 4.76 1336 969 A 39 LYS HG3 A 24 SER HB3 1.0 . 4.37 1337 970 A 24 SER HB2 A 39 LYS HG3 1.0 . 4.37 1338 971 A 39 LYS HA A 24 SER HB3 1.0 . 4.21 1339 971 A 24 SER HB2 A 39 LYS HA 1.0 . 4.21 1340 972 A 39 LYS HG2 A 24 SER HB3 1.0 . 3.76 1341 972 A 24 SER HB2 A 39 LYS HG2 1.0 . 3.76 1342 973 A 39 LYS HG3 A 24 SER HB3 1.0 . 3.54 1343 973 A 24 SER HB2 A 39 LYS HG3 1.0 . 3.54 1344 974 A 24 SER HB3 A 39 LYS HE3 1.0 . 3.75 1345 974 A 24 SER HB2 A 39 LYS HE3 1.0 . 3.75 1346 974 A 39 LYS HE2 A 24 SER HB3 1.0 . 3.75 1347 974 A 24 SER HB2 A 39 LYS HE2 1.0 . 3.75 1348 975 A 24 SER HA A 45 LYS HEx 1.0 . 5.50 1349 975 A 24 SER HA A 45 LYS HEy 1.0 . 5.50 1350 976 A 24 SER HB2 A 45 LYS HDy 1.0 . 4.59 1351 976 A 24 SER HB2 A 45 LYS HDx 1.0 . 4.59 1352 977 A 24 SER HA A 45 LYS HEx 1.0 . 5.50 1353 977 A 24 SER HA A 45 LYS HEy 1.0 . 5.50 1354 978 A 24 SER HB3 A 45 LYS HDx 1.0 . 4.49 1355 978 A 24 SER HB2 A 45 LYS HDx 1.0 . 4.49 1356 978 A 45 LYS HDy A 24 SER HB3 1.0 . 4.49 1357 978 A 24 SER HB2 A 45 LYS HDy 1.0 . 4.49 1358 979 A 26 VAL HGx% A 35 LEU HA 1.0 . 5.30 1359 980 A 26 VAL HB A 35 LEU HD11 1.0 . 4.04 1360 980 A 26 VAL HB A 35 LEU HD21 1.0 . 4.04 1361 981 A 26 VAL HGx% A 35 LEU HD21 1.0 . 2.76 1362 981 A 26 VAL HGx% A 35 LEU HD11 1.0 . 2.76 1363 982 A 26 VAL HGx% A 35 LEU H 1.0 . 5.50 1364 983 A 35 LEU HA A 26 VAL HGy% 1.0 . 3.79 1365 984 A 26 VAL HB A 35 LEU HD11 1.0 . 4.04 1366 984 A 26 VAL HB A 35 LEU HD21 1.0 . 4.04 1367 985 A 35 LEU H A 26 VAL HGy% 1.0 . 5.44 1368 985 A 26 VAL HGx% A 35 LEU H 1.0 . 5.44 1369 986 A 35 LEU HA A 26 VAL HGy% 1.0 . 3.71 1370 986 A 26 VAL HGx% A 35 LEU HA 1.0 . 3.71 1371 987 A 26 VAL HGx% A 35 LEU HD11 1.0 . 2.75 1372 987 A 26 VAL HGy% A 35 LEU HD11 1.0 . 2.75 1373 987 A 35 LEU HD21 A 26 VAL HGy% 1.0 . 2.75 1374 987 A 26 VAL HGx% A 35 LEU HD21 1.0 . 2.75 1375 988 A 26 VAL HB A 38 GLN HB2 1.0 . 4.42 1376 989 A 26 VAL HGx% A 38 GLN HB2 1.0 . 3.78 1377 990 A 38 GLN HA A 26 VAL HGy% 1.0 . 4.38 1378 991 A 26 VAL HGx% A 38 GLN HB3 1.0 . 5.50 1379 992 A 38 GLN HG2 A 26 VAL HGy% 1.0 . 4.67 1380 993 A 26 VAL HA A 38 GLN HG3 1.0 . 5.50 1381 994 A 26 VAL HGy% A 38 GLN HG3 1.0 . 4.42 1382 995 A 26 VAL HGy% A 38 GLN HB3 1.0 . 4.34 1383 996 A 26 VAL HGx% A 38 GLN H 1.0 . 5.50 1384 997 A 26 VAL HA A 38 GLN HB2 1.0 . 3.91 1385 998 A 38 GLN HB2 A 26 VAL HGy% 1.0 . 2.74 1386 999 A 26 VAL HGx% A 38 GLN HG2 1.0 . 5.14 1387 1000 A 26 VAL HB A 38 GLN HB3 1.0 . 4.42 1388 1001 A 26 VAL HGx% A 38 GLN HB3 1.0 . 3.78 1389 1002 A 26 VAL HGx% A 38 GLN HB2 1.0 . 5.50 1390 1003 A 38 GLN HB2 A 26 VAL HGy% 1.0 . 5.50 1391 1004 A 26 VAL HA A 38 GLN HB3 1.0 . 3.91 1392 1005 A 26 VAL HGy% A 38 GLN HB3 1.0 . 3.78 1393 1006 A 26 VAL HA A 38 GLN HG3 1.0 . 5.34 1394 1006 A 26 VAL HA A 38 GLN HG2 1.0 . 5.34 1395 1007 A 38 GLN H A 26 VAL HGy% 1.0 . 5.44 1396 1007 A 26 VAL HGx% A 38 GLN H 1.0 . 5.44 1397 1008 A 38 GLN HA A 26 VAL HGy% 1.0 . 4.35 1398 1008 A 26 VAL HGx% A 38 GLN HA 1.0 . 4.35 1399 1009 A 26 VAL HGx% A 38 GLN HB2 1.0 . 4.19 1400 1009 A 38 GLN HB2 A 26 VAL HGy% 1.0 . 4.19 1401 1010 A 26 VAL HGx% A 38 GLN HB3 1.0 . 2.68 1402 1010 A 26 VAL HGy% A 38 GLN HB3 1.0 . 2.68 1403 1011 A 26 VAL HGy% A 38 GLN HG3 1.0 . 3.88 1404 1011 A 26 VAL HGx% A 38 GLN HG3 1.0 . 3.88 1405 1011 A 38 GLN HG2 A 26 VAL HGy% 1.0 . 3.88 1406 1011 A 26 VAL HGx% A 38 GLN HG2 1.0 . 3.88 1407 1012 A 26 VAL HB A 38 GLN HB2 1.0 . 4.42 1408 1013 A 26 VAL HA A 38 GLN HB2 1.0 . 3.91 1409 1014 A 39 LYS HA A 26 VAL HGy% 1.0 . 3.43 1410 1015 A 39 LYS HE2 A 26 VAL HGy% 1.0 . 4.67 1411 1016 A 26 VAL HGy% A 39 LYS HE3 1.0 . 4.93 1412 1017 A 39 LYS HBy A 26 VAL HGy% 1.0 . 4.67 1413 1017 A 26 VAL HGy% A 39 LYS HBx 1.0 . 4.67 1414 1018 A 26 VAL H A 39 LYS HG3 1.0 . 5.50 1415 1019 A 26 VAL HGx% A 39 LYS H 1.0 . 5.50 1416 1020 A 39 LYS H A 26 VAL HGy% 1.0 . 4.68 1417 1021 A 39 LYS HG3 A 26 VAL HGy% 1.0 . 3.05 1418 1022 A 26 VAL HGx% A 39 LYS HG3 1.0 . 4.16 1419 1023 A 26 VAL H A 39 LYS HG3 1.0 . 5.50 1420 1024 A 26 VAL HGx% A 39 LYS H 1.0 . 5.50 1421 1025 A 39 LYS H A 26 VAL HGy% 1.0 . 5.50 1422 1026 A 39 LYS HG3 A 26 VAL HGy% 1.0 . 4.16 1423 1027 A 26 VAL HGx% A 39 LYS HG3 1.0 . 4.16 1424 1028 A 39 LYS H A 26 VAL HGy% 1.0 . 4.44 1425 1028 A 26 VAL HGx% A 39 LYS H 1.0 . 4.44 1426 1029 A 39 LYS HA A 26 VAL HGy% 1.0 . 3.42 1427 1029 A 26 VAL HGx% A 39 LYS HA 1.0 . 3.42 1428 1030 A 26 VAL HGx% A 39 LYS HBx 1.0 . 4.63 1429 1030 A 26 VAL HGy% A 39 LYS HBx 1.0 . 4.63 1430 1030 A 39 LYS HBy A 26 VAL HGy% 1.0 . 4.63 1431 1030 A 26 VAL HGx% A 39 LYS HBy 1.0 . 4.63 1432 1031 A 39 LYS HG3 A 26 VAL HGy% 1.0 . 2.98 1433 1031 A 26 VAL HGx% A 39 LYS HG3 1.0 . 2.98 1434 1032 A 26 VAL HGx% A 39 LYS HE3 1.0 . 4.11 1435 1032 A 26 VAL HGy% A 39 LYS HE3 1.0 . 4.11 1436 1032 A 39 LYS HE2 A 26 VAL HGy% 1.0 . 4.11 1437 1032 A 26 VAL HGx% A 39 LYS HE2 1.0 . 4.11 1438 1033 A 26 VAL HGx% A 39 LYS HE3 1.0 . 5.50 1439 1034 A 26 VAL HA A 42 LYS HDx 1.0 . 5.09 1440 1034 A 26 VAL HA A 42 LYS HDy 1.0 . 5.09 1441 1035 A 26 VAL HA A 42 LYS HEx 1.0 . 5.50 1442 1035 A 26 VAL HA A 42 LYS HEy 1.0 . 5.50 1443 1036 A 26 VAL HA A 42 LYS HDx 1.0 . 5.09 1444 1036 A 26 VAL HA A 42 LYS HDy 1.0 . 5.09 1445 1037 A 26 VAL HA A 42 LYS HEx 1.0 . 5.50 1446 1037 A 26 VAL HA A 42 LYS HEy 1.0 . 5.50 1447 1038 A 43 SER HBy A 26 VAL HGy% 1.0 . 5.50 1448 1038 A 26 VAL HGy% A 43 SER HBx 1.0 . 5.50 1449 1039 A 26 VAL HGy% A 43 SER HBx 1.0 . 5.44 1450 1039 A 26 VAL HGx% A 43 SER HBx 1.0 . 5.44 1451 1039 A 43 SER HBy A 26 VAL HGy% 1.0 . 5.44 1452 1039 A 26 VAL HGx% A 43 SER HBy 1.0 . 5.44 1453 1040 A 27 SER HB3 A 38 GLN HG3 1.0 . 5.03 1454 1041 A 27 SER H A 38 GLN HG2 1.0 . 5.50 1455 1042 A 27 SER HB2 A 38 GLN HG3 1.0 . 5.50 1456 1043 A 27 SER HA A 38 GLN HG3 1.0 . 5.50 1457 1044 A 27 SER HB2 A 38 GLN HG2 1.0 . 5.50 1458 1045 A 27 SER HB2 A 38 GLN HG3 1.0 . 5.50 1459 1046 A 27 SER HB2 A 38 GLN HG2 1.0 . 5.50 1460 1047 A 27 SER H A 38 GLN HG3 1.0 . 5.34 1461 1047 A 27 SER H A 38 GLN HG2 1.0 . 5.34 1462 1048 A 27 SER HA A 38 GLN HG3 1.0 . 5.34 1463 1048 A 27 SER HA A 38 GLN HG2 1.0 . 5.34 1464 1049 A 38 GLN HG2 A 27 SER HB3 1.0 . 4.90 1465 1049 A 27 SER HB3 A 38 GLN HG3 1.0 . 4.90 1466 1050 A 34 PHE HD% A 30 GLN HGx 1.0 . 4.76 1467 1050 A 30 GLN HGy A 34 PHE HD% 1.0 . 4.76 1468 1051 A 30 GLN HB3 A 34 PHE HD% 1.0 . 4.77 1469 1052 A 34 PHE HD% A 30 GLN HGx 1.0 . 4.76 1470 1052 A 30 GLN HGy A 34 PHE HD% 1.0 . 4.76 1471 1053 A 30 GLN HB2 A 34 PHE HD% 1.0 . 4.77 1472 1054 A 30 GLN HB3 A 34 PHE HD% 1.0 . 3.87 1473 1055 A 37 TYR HE% A 30 GLN HGx 1.0 . 5.50 1474 1055 A 30 GLN HGy A 37 TYR HE% 1.0 . 5.50 1475 1056 A 37 TYR HE% A 30 GLN HGx 1.0 . 5.50 1476 1056 A 30 GLN HGy A 37 TYR HE% 1.0 . 5.50 1477 1057 A 30 GLN HGx A 38 GLN HB3 1.0 . 5.50 1478 1057 A 30 GLN HGy A 38 GLN HB3 1.0 . 5.50 1479 1058 A 30 GLN HB2 A 38 GLN HE21 1.0 . 5.50 1480 1059 A 30 GLN HB2 A 38 GLN HE22 1.0 . 5.50 1481 1060 A 38 GLN HE22 A 30 GLN HGx 1.0 . 4.61 1482 1060 A 30 GLN HGy A 38 GLN HE22 1.0 . 4.61 1483 1061 A 38 GLN HE21 A 30 GLN HGx 1.0 . 3.95 1484 1061 A 30 GLN HGy A 38 GLN HE21 1.0 . 3.95 1485 1062 A 30 GLN HGx A 38 GLN HG3 1.0 . 3.83 1486 1062 A 30 GLN HGy A 38 GLN HG3 1.0 . 3.83 1487 1063 A 30 GLN HGy A 38 GLN HB2 1.0 . 5.50 1488 1063 A 38 GLN HB2 A 30 GLN HGx 1.0 . 5.50 1489 1064 A 30 GLN HB3 A 38 GLN HE21 1.0 . 5.50 1490 1065 A 30 GLN HB3 A 38 GLN HE22 1.0 . 5.50 1491 1066 A 30 GLN HGx A 38 GLN HG3 1.0 . 3.77 1492 1066 A 38 GLN HG2 A 30 GLN HGx 1.0 . 3.77 1493 1066 A 30 GLN HGy A 38 GLN HG2 1.0 . 3.77 1494 1066 A 30 GLN HGy A 38 GLN HG3 1.0 . 3.77 1495 1067 A 38 GLN HE22 A 30 GLN HGx 1.0 . 3.74 1496 1067 A 30 GLN HGy A 38 GLN HE22 1.0 . 3.74 1497 1067 A 30 GLN HGy A 38 GLN HE21 1.0 . 3.74 1498 1067 A 38 GLN HE21 A 30 GLN HGx 1.0 . 3.74 1499 1068 A 17 LEU HDy% A 31 PHE HD% 1.0 . 5.32 1500 1069 A 17 LEU HDx% A 31 PHE HB3 1.0 . 5.50 1501 1070 A 17 LEU HB3 A 31 PHE HD% 1.0 . 5.38 1502 1071 A 17 LEU HB2 A 31 PHE HD% 1.0 . 4.33 1503 1072 A 17 LEU HB3 A 31 PHE HB3 1.0 . 5.41 1504 1073 A 17 LEU HB2 A 31 PHE HB3 1.0 . 4.79 1505 1074 A 17 LEU HDx% A 31 PHE HD% 1.0 . 3.96 1506 1075 A 17 LEU HDx% A 31 PHE HB2 1.0 . 4.01 1507 1076 A 17 LEU HDy% A 31 PHE HA 1.0 . 5.16 1508 1077 A 17 LEU HDy% A 31 PHE HD% 1.0 . 5.32 1509 1078 A 17 LEU HDx% A 31 PHE HB3 1.0 . 5.50 1510 1079 A 17 LEU HB2 A 31 PHE HD% 1.0 . 5.38 1511 1080 A 17 LEU HB3 A 31 PHE HD% 1.0 . 4.33 1512 1081 A 17 LEU HB2 A 31 PHE HB3 1.0 . 5.41 1513 1082 A 17 LEU HB3 A 31 PHE HB3 1.0 . 4.79 1514 1083 A 17 LEU HDx% A 31 PHE HD% 1.0 . 3.96 1515 1084 A 17 LEU HDx% A 31 PHE HB2 1.0 . 4.01 1516 1085 A 17 LEU HDy% A 31 PHE HA 1.0 . 5.16 1517 1086 A 31 PHE HA A 31 PHE HZ 1.0 . 5.50 1518 1087 A 31 PHE HA A 31 PHE HZ 1.0 . 5.50 1519 1088 A 31 PHE HD% A 31 PHE HZ 1.0 . 3.65 1520 1089 A 31 PHE HD% A 31 PHE HZ 1.0 . 3.65 1521 1090 A 31 PHE HA A 31 PHE HZ 1.0 . 5.50 1522 1091 A 31 PHE HA A 31 PHE HZ 1.0 . 5.50 1523 1092 A 31 PHE HD% A 31 PHE HZ 1.0 . 3.65 1524 1093 A 31 PHE HD% A 31 PHE HZ 1.0 . 3.65 1525 1094 A 35 LEU HA A 31 PHE HZ 1.0 . 5.50 1526 1095 A 35 LEU HG A 31 PHE HZ 1.0 . 4.36 1527 1096 A 31 PHE HD% A 35 LEU HD11 1.0 . 4.24 1528 1096 A 31 PHE HD% A 35 LEU HD21 1.0 . 4.24 1529 1097 A 31 PHE HZ A 35 LEU HD11 1.0 . 2.99 1530 1097 A 35 LEU HD21 A 31 PHE HZ 1.0 . 2.99 1531 1098 A 35 LEU HA A 31 PHE HZ 1.0 . 5.50 1532 1099 A 35 LEU HG A 31 PHE HZ 1.0 . 4.36 1533 1100 A 31 PHE HD% A 35 LEU HD11 1.0 . 4.24 1534 1100 A 31 PHE HD% A 35 LEU HD21 1.0 . 4.24 1535 1101 A 31 PHE HZ A 35 LEU HD11 1.0 . 2.99 1536 1101 A 35 LEU HD21 A 31 PHE HZ 1.0 . 2.99 1537 1102 A 17 LEU HDx% A 32 ARG HA 1.0 . 5.43 1538 1103 A 17 LEU HDx% A 32 ARG HG2 1.0 . 5.25 1539 1104 A 17 LEU HDx% A 32 ARG HG3 1.0 . 5.09 1540 1105 A 17 LEU HA A 32 ARG HD3 1.0 . 5.45 1541 1106 A 17 LEU HG A 32 ARG HA 1.0 . 5.18 1542 1107 A 17 LEU HG A 32 ARG HD3 1.0 . 4.81 1543 1108 A 17 LEU HDx% A 32 ARG HD3 1.0 . 4.36 1544 1109 A 17 LEU HDy% A 32 ARG HD3 1.0 . 3.44 1545 1110 A 17 LEU HDy% A 32 ARG HB2 1.0 . 3.04 1546 1111 A 17 LEU HDx% A 32 ARG H 1.0 . 5.50 1547 1112 A 17 LEU HDx% A 32 ARG HD2 1.0 . 4.18 1548 1113 A 17 LEU HDx% A 32 ARG HA 1.0 . 5.43 1549 1114 A 17 LEU HDx% A 32 ARG HG2 1.0 . 5.25 1550 1115 A 17 LEU HDx% A 32 ARG HG3 1.0 . 5.09 1551 1116 A 17 LEU HG A 32 ARG HA 1.0 . 5.18 1552 1117 A 17 LEU HDx% A 32 ARG HD3 1.0 . 4.36 1553 1118 A 17 LEU HDy% A 32 ARG HB2 1.0 . 3.04 1554 1119 A 17 LEU HDx% A 32 ARG H 1.0 . 5.50 1555 1120 A 17 LEU HDx% A 32 ARG HD2 1.0 . 4.36 1556 1121 A 17 LEU HA A 32 ARG HD3 1.0 . 5.30 1557 1121 A 17 LEU HA A 32 ARG HD2 1.0 . 5.30 1558 1122 A 17 LEU HG A 32 ARG HD3 1.0 . 4.70 1559 1122 A 17 LEU HG A 32 ARG HD2 1.0 . 4.70 1560 1123 A 17 LEU HDx% A 32 ARG HD3 1.0 . 3.80 1561 1123 A 17 LEU HDx% A 32 ARG HD2 1.0 . 3.80 1562 1124 A 17 LEU HDy% A 32 ARG HD3 1.0 . 3.39 1563 1124 A 17 LEU HDy% A 32 ARG HD2 1.0 . 3.39 1564 1125 A 34 PHE HD% A 30 GLN HGx 1.0 . 4.76 1565 1125 A 30 GLN HGy A 34 PHE HD% 1.0 . 4.76 1566 1126 A 30 GLN HB3 A 34 PHE HD% 1.0 . 4.77 1567 1127 A 34 PHE HD% A 30 GLN HGx 1.0 . 4.76 1568 1127 A 30 GLN HGy A 34 PHE HD% 1.0 . 4.76 1569 1128 A 30 GLN HB2 A 34 PHE HD% 1.0 . 4.77 1570 1129 A 30 GLN HB3 A 34 PHE HD% 1.0 . 3.87 1571 1130 A 17 LEU HA A 35 LEU HD11 1.0 . 4.26 1572 1130 A 17 LEU HA A 35 LEU HD21 1.0 . 4.26 1573 1131 A 17 LEU HA A 35 LEU HD11 1.0 . 4.26 1574 1131 A 17 LEU HA A 35 LEU HD21 1.0 . 4.26 1575 1132 A 18 VAL HA A 35 LEU HD11 1.0 . 4.26 1576 1132 A 18 VAL HA A 35 LEU HD21 1.0 . 4.26 1577 1133 A 18 VAL HA A 35 LEU HD11 1.0 . 4.26 1578 1133 A 18 VAL HA A 35 LEU HD21 1.0 . 4.26 1579 1134 A 20 ASP HA A 35 LEU HD11 1.0 . 4.70 1580 1134 A 20 ASP HA A 35 LEU HD21 1.0 . 4.70 1581 1135 A 20 ASP H A 35 LEU HD11 1.0 . 4.29 1582 1135 A 20 ASP H A 35 LEU HD21 1.0 . 4.29 1583 1136 A 20 ASP HB3 A 35 LEU HG 1.0 . 4.36 1584 1137 A 20 ASP HB2 A 35 LEU HG 1.0 . 4.30 1585 1138 A 20 ASP HB3 A 35 LEU HD11 1.0 . 3.62 1586 1138 A 20 ASP HB3 A 35 LEU HD21 1.0 . 3.62 1587 1139 A 20 ASP HB2 A 35 LEU HD11 1.0 . 2.95 1588 1139 A 20 ASP HB2 A 35 LEU HD21 1.0 . 2.95 1589 1140 A 20 ASP HA A 35 LEU HD11 1.0 . 4.70 1590 1140 A 20 ASP HA A 35 LEU HD21 1.0 . 4.70 1591 1141 A 20 ASP H A 35 LEU HD11 1.0 . 4.29 1592 1141 A 20 ASP H A 35 LEU HD21 1.0 . 4.29 1593 1142 A 20 ASP HB2 A 35 LEU HG 1.0 . 4.36 1594 1143 A 20 ASP HB3 A 35 LEU HG 1.0 . 4.30 1595 1144 A 20 ASP HB2 A 35 LEU HD11 1.0 . 3.62 1596 1144 A 20 ASP HB2 A 35 LEU HD21 1.0 . 3.62 1597 1145 A 20 ASP HB3 A 35 LEU HD11 1.0 . 2.95 1598 1145 A 20 ASP HB3 A 35 LEU HD21 1.0 . 2.95 1599 1146 A 21 ALA HB% A 35 LEU HB3 1.0 . 4.97 1600 1147 A 21 ALA HB% A 35 LEU HG 1.0 . 3.58 1601 1148 A 21 ALA HA A 35 LEU HD11 1.0 . 2.76 1602 1148 A 21 ALA HA A 35 LEU HD21 1.0 . 2.76 1603 1149 A 21 ALA HA A 35 LEU HG 1.0 . 5.00 1604 1150 A 21 ALA HB% A 35 LEU HD11 1.0 . 2.79 1605 1150 A 21 ALA HB% A 35 LEU HD21 1.0 . 2.79 1606 1151 A 21 ALA HB% A 35 LEU HB2 1.0 . 4.97 1607 1152 A 21 ALA HB% A 35 LEU HG 1.0 . 3.58 1608 1153 A 21 ALA HA A 35 LEU HD11 1.0 . 2.76 1609 1153 A 21 ALA HA A 35 LEU HD21 1.0 . 2.76 1610 1154 A 21 ALA HA A 35 LEU HG 1.0 . 5.00 1611 1155 A 21 ALA HB% A 35 LEU HD11 1.0 . 2.79 1612 1155 A 21 ALA HB% A 35 LEU HD21 1.0 . 2.79 1613 1156 A 35 LEU HD21 A 24 SER HB3 1.0 . 3.90 1614 1156 A 24 SER HB3 A 35 LEU HD11 1.0 . 3.90 1615 1157 A 24 SER HB2 A 35 LEU HD21 1.0 . 4.68 1616 1157 A 24 SER HB2 A 35 LEU HD11 1.0 . 4.68 1617 1158 A 24 SER HB2 A 35 LEU HD11 1.0 . 3.72 1618 1158 A 24 SER HB3 A 35 LEU HD11 1.0 . 3.72 1619 1158 A 35 LEU HD21 A 24 SER HB3 1.0 . 3.72 1620 1158 A 24 SER HB2 A 35 LEU HD21 1.0 . 3.72 1621 1159 A 26 VAL HGx% A 35 LEU HA 1.0 . 5.30 1622 1160 A 26 VAL HB A 35 LEU HD11 1.0 . 4.04 1623 1160 A 26 VAL HB A 35 LEU HD21 1.0 . 4.04 1624 1161 A 26 VAL HGx% A 35 LEU HD21 1.0 . 2.76 1625 1161 A 26 VAL HGx% A 35 LEU HD11 1.0 . 2.76 1626 1162 A 26 VAL HGx% A 35 LEU H 1.0 . 5.50 1627 1163 A 35 LEU HA A 26 VAL HGy% 1.0 . 3.79 1628 1164 A 26 VAL HB A 35 LEU HD11 1.0 . 4.04 1629 1164 A 26 VAL HB A 35 LEU HD21 1.0 . 4.04 1630 1165 A 35 LEU H A 26 VAL HGy% 1.0 . 5.44 1631 1165 A 26 VAL HGx% A 35 LEU H 1.0 . 5.44 1632 1166 A 35 LEU HA A 26 VAL HGy% 1.0 . 3.71 1633 1166 A 26 VAL HGx% A 35 LEU HA 1.0 . 3.71 1634 1167 A 26 VAL HGx% A 35 LEU HD11 1.0 . 2.75 1635 1167 A 26 VAL HGy% A 35 LEU HD11 1.0 . 2.75 1636 1167 A 35 LEU HD21 A 26 VAL HGy% 1.0 . 2.75 1637 1167 A 26 VAL HGx% A 35 LEU HD21 1.0 . 2.75 1638 1168 A 35 LEU HA A 31 PHE HZ 1.0 . 5.50 1639 1169 A 35 LEU HG A 31 PHE HZ 1.0 . 4.36 1640 1170 A 31 PHE HD% A 35 LEU HD11 1.0 . 4.24 1641 1170 A 31 PHE HD% A 35 LEU HD21 1.0 . 4.24 1642 1171 A 31 PHE HZ A 35 LEU HD11 1.0 . 2.99 1643 1171 A 35 LEU HD21 A 31 PHE HZ 1.0 . 2.99 1644 1172 A 35 LEU HA A 31 PHE HZ 1.0 . 5.50 1645 1173 A 35 LEU HG A 31 PHE HZ 1.0 . 4.36 1646 1174 A 31 PHE HD% A 35 LEU HD11 1.0 . 4.24 1647 1174 A 31 PHE HD% A 35 LEU HD21 1.0 . 4.24 1648 1175 A 31 PHE HZ A 35 LEU HD11 1.0 . 2.99 1649 1175 A 35 LEU HD21 A 31 PHE HZ 1.0 . 2.99 1650 1176 A 37 TYR HE% A 30 GLN HGx 1.0 . 5.50 1651 1176 A 30 GLN HGy A 37 TYR HE% 1.0 . 5.50 1652 1177 A 37 TYR HE% A 30 GLN HGx 1.0 . 5.50 1653 1177 A 30 GLN HGy A 37 TYR HE% 1.0 . 5.50 1654 1178 A 26 VAL HB A 38 GLN HB2 1.0 . 4.42 1655 1179 A 26 VAL HGx% A 38 GLN HB2 1.0 . 3.78 1656 1180 A 38 GLN HA A 26 VAL HGy% 1.0 . 4.38 1657 1181 A 26 VAL HGx% A 38 GLN HB3 1.0 . 5.50 1658 1182 A 38 GLN HG2 A 26 VAL HGy% 1.0 . 4.67 1659 1183 A 26 VAL HA A 38 GLN HG3 1.0 . 5.50 1660 1184 A 26 VAL HGy% A 38 GLN HG3 1.0 . 4.42 1661 1185 A 26 VAL HGy% A 38 GLN HB3 1.0 . 4.34 1662 1186 A 26 VAL HGx% A 38 GLN H 1.0 . 5.50 1663 1187 A 26 VAL HA A 38 GLN HB2 1.0 . 3.91 1664 1188 A 38 GLN HB2 A 26 VAL HGy% 1.0 . 2.74 1665 1189 A 26 VAL HGx% A 38 GLN HG2 1.0 . 5.14 1666 1190 A 38 GLN H A 26 VAL HGy% 1.0 . 5.44 1667 1190 A 26 VAL HGx% A 38 GLN H 1.0 . 5.44 1668 1191 A 38 GLN HA A 26 VAL HGy% 1.0 . 4.35 1669 1191 A 26 VAL HGx% A 38 GLN HA 1.0 . 4.35 1670 1192 A 26 VAL HA A 38 GLN HB3 1.0 . 3.84 1671 1192 A 26 VAL HA A 38 GLN HB2 1.0 . 3.84 1672 1193 A 26 VAL HB A 38 GLN HB3 1.0 . 4.33 1673 1193 A 26 VAL HB A 38 GLN HB2 1.0 . 4.33 1674 1194 A 26 VAL HGx% A 38 GLN HB3 1.0 . 2.65 1675 1194 A 26 VAL HGy% A 38 GLN HB3 1.0 . 2.65 1676 1194 A 38 GLN HB2 A 26 VAL HGy% 1.0 . 2.65 1677 1194 A 26 VAL HGx% A 38 GLN HB2 1.0 . 2.65 1678 1195 A 26 VAL HA A 38 GLN HG3 1.0 . 5.34 1679 1195 A 26 VAL HA A 38 GLN HG2 1.0 . 5.34 1680 1196 A 26 VAL HGy% A 38 GLN HG3 1.0 . 3.88 1681 1196 A 26 VAL HGx% A 38 GLN HG3 1.0 . 3.88 1682 1196 A 38 GLN HG2 A 26 VAL HGy% 1.0 . 3.88 1683 1196 A 26 VAL HGx% A 38 GLN HG2 1.0 . 3.88 1684 1197 A 26 VAL HA A 38 GLN HB2 1.0 . 3.91 1685 1198 A 26 VAL HB A 38 GLN HB2 1.0 . 4.42 1686 1199 A 38 GLN HB2 A 26 VAL HGy% 1.0 . 2.74 1687 1200 A 27 SER HB3 A 38 GLN HG3 1.0 . 5.03 1688 1201 A 27 SER H A 38 GLN HG2 1.0 . 5.50 1689 1202 A 27 SER HB2 A 38 GLN HG3 1.0 . 5.50 1690 1203 A 27 SER HA A 38 GLN HG3 1.0 . 5.50 1691 1204 A 27 SER HB2 A 38 GLN HG2 1.0 . 5.50 1692 1205 A 27 SER H A 38 GLN HG3 1.0 . 5.34 1693 1205 A 27 SER H A 38 GLN HG2 1.0 . 5.34 1694 1206 A 27 SER HA A 38 GLN HG3 1.0 . 5.34 1695 1206 A 27 SER HA A 38 GLN HG2 1.0 . 5.34 1696 1207 A 27 SER HB3 A 38 GLN HG3 1.0 . 4.37 1697 1207 A 27 SER HB2 A 38 GLN HG3 1.0 . 4.37 1698 1207 A 38 GLN HG2 A 27 SER HB3 1.0 . 4.37 1699 1207 A 27 SER HB2 A 38 GLN HG2 1.0 . 4.37 1700 1208 A 30 GLN HGx A 38 GLN HB3 1.0 . 5.50 1701 1208 A 30 GLN HGy A 38 GLN HB3 1.0 . 5.50 1702 1209 A 30 GLN HB2 A 38 GLN HE21 1.0 . 5.50 1703 1210 A 30 GLN HB2 A 38 GLN HE22 1.0 . 5.50 1704 1211 A 38 GLN HE22 A 30 GLN HGx 1.0 . 4.61 1705 1211 A 30 GLN HGy A 38 GLN HE22 1.0 . 4.61 1706 1212 A 38 GLN HE21 A 30 GLN HGx 1.0 . 3.95 1707 1212 A 30 GLN HGy A 38 GLN HE21 1.0 . 3.95 1708 1213 A 30 GLN HGx A 38 GLN HG3 1.0 . 3.83 1709 1213 A 30 GLN HGy A 38 GLN HG3 1.0 . 3.83 1710 1214 A 30 GLN HB3 A 38 GLN HE21 1.0 . 5.50 1711 1215 A 30 GLN HB3 A 38 GLN HE22 1.0 . 5.50 1712 1216 A 30 GLN HGx A 38 GLN HB3 1.0 . 5.34 1713 1216 A 30 GLN HGy A 38 GLN HB3 1.0 . 5.34 1714 1216 A 38 GLN HB2 A 30 GLN HGx 1.0 . 5.34 1715 1216 A 30 GLN HGy A 38 GLN HB2 1.0 . 5.34 1716 1217 A 30 GLN HGx A 38 GLN HG3 1.0 . 3.77 1717 1217 A 38 GLN HG2 A 30 GLN HGx 1.0 . 3.77 1718 1217 A 30 GLN HGy A 38 GLN HG2 1.0 . 3.77 1719 1217 A 30 GLN HGy A 38 GLN HG3 1.0 . 3.77 1720 1218 A 38 GLN HE22 A 30 GLN HGx 1.0 . 3.74 1721 1218 A 30 GLN HGy A 38 GLN HE22 1.0 . 3.74 1722 1218 A 30 GLN HGy A 38 GLN HE21 1.0 . 3.74 1723 1218 A 38 GLN HE21 A 30 GLN HGx 1.0 . 3.74 1724 1219 A 21 ALA HB% A 39 LYS HDx 1.0 . 5.30 1725 1219 A 21 ALA HB% A 39 LYS HDy 1.0 . 5.30 1726 1220 A 21 ALA HB% A 39 LYS HDx 1.0 . 5.30 1727 1220 A 21 ALA HB% A 39 LYS HDy 1.0 . 5.30 1728 1221 A 39 LYS HA A 24 SER HB3 1.0 . 4.30 1729 1222 A 24 SER HB2 A 39 LYS HE3 1.0 . 4.89 1730 1223 A 24 SER HB2 A 39 LYS HG2 1.0 . 3.83 1731 1224 A 24 SER HA A 39 LYS HE2 1.0 . 5.50 1732 1225 A 24 SER HA A 39 LYS HE3 1.0 . 5.50 1733 1226 A 24 SER H A 39 LYS HG3 1.0 . 5.50 1734 1227 A 24 SER HA A 39 LYS HG2 1.0 . 4.76 1735 1228 A 39 LYS HE2 A 24 SER HB3 1.0 . 4.25 1736 1229 A 39 LYS HG3 A 24 SER HB3 1.0 . 3.74 1737 1230 A 39 LYS HG2 A 24 SER HB3 1.0 . 5.47 1738 1231 A 24 SER HB2 A 39 LYS HG3 1.0 . 4.37 1739 1232 A 24 SER HB2 A 39 LYS HE2 1.0 . 4.66 1740 1233 A 24 SER HA A 39 LYS HE2 1.0 . 5.50 1741 1234 A 24 SER HA A 39 LYS HE3 1.0 . 5.50 1742 1235 A 24 SER H A 39 LYS HG3 1.0 . 5.50 1743 1236 A 24 SER HA A 39 LYS HG2 1.0 . 4.76 1744 1237 A 39 LYS HG3 A 24 SER HB3 1.0 . 4.37 1745 1238 A 24 SER HB2 A 39 LYS HG3 1.0 . 4.37 1746 1239 A 39 LYS HA A 24 SER HB3 1.0 . 4.21 1747 1239 A 24 SER HB2 A 39 LYS HA 1.0 . 4.21 1748 1240 A 39 LYS HG2 A 24 SER HB3 1.0 . 3.76 1749 1240 A 24 SER HB2 A 39 LYS HG2 1.0 . 3.76 1750 1241 A 39 LYS HG3 A 24 SER HB3 1.0 . 3.54 1751 1241 A 24 SER HB2 A 39 LYS HG3 1.0 . 3.54 1752 1242 A 24 SER HB2 A 39 LYS HE3 1.0 . 3.75 1753 1242 A 24 SER HB3 A 39 LYS HE3 1.0 . 3.75 1754 1242 A 39 LYS HE2 A 24 SER HB3 1.0 . 3.75 1755 1242 A 24 SER HB2 A 39 LYS HE2 1.0 . 3.75 1756 1243 A 39 LYS HA A 26 VAL HGy% 1.0 . 3.43 1757 1244 A 39 LYS HE2 A 26 VAL HGy% 1.0 . 4.67 1758 1245 A 26 VAL HGy% A 39 LYS HE3 1.0 . 4.93 1759 1246 A 39 LYS HBy A 26 VAL HGy% 1.0 . 4.67 1760 1246 A 26 VAL HGy% A 39 LYS HBx 1.0 . 4.67 1761 1247 A 26 VAL H A 39 LYS HG3 1.0 . 5.50 1762 1248 A 26 VAL HGx% A 39 LYS H 1.0 . 5.50 1763 1249 A 39 LYS H A 26 VAL HGy% 1.0 . 4.68 1764 1250 A 39 LYS HG3 A 26 VAL HGy% 1.0 . 3.05 1765 1251 A 26 VAL HGx% A 39 LYS HE3 1.0 . 5.50 1766 1252 A 26 VAL H A 39 LYS HG3 1.0 . 5.50 1767 1253 A 26 VAL HGx% A 39 LYS H 1.0 . 5.50 1768 1254 A 39 LYS H A 26 VAL HGy% 1.0 . 5.50 1769 1255 A 39 LYS HG3 A 26 VAL HGy% 1.0 . 4.16 1770 1256 A 26 VAL HGx% A 39 LYS HG3 1.0 . 4.16 1771 1257 A 39 LYS H A 26 VAL HGy% 1.0 . 4.44 1772 1257 A 26 VAL HGx% A 39 LYS H 1.0 . 4.44 1773 1258 A 39 LYS HA A 26 VAL HGy% 1.0 . 3.42 1774 1258 A 26 VAL HGx% A 39 LYS HA 1.0 . 3.42 1775 1259 A 26 VAL HGx% A 39 LYS HBx 1.0 . 4.63 1776 1259 A 26 VAL HGy% A 39 LYS HBx 1.0 . 4.63 1777 1259 A 39 LYS HBy A 26 VAL HGy% 1.0 . 4.63 1778 1259 A 26 VAL HGx% A 39 LYS HBy 1.0 . 4.63 1779 1260 A 39 LYS HG3 A 26 VAL HGy% 1.0 . 2.98 1780 1260 A 26 VAL HGx% A 39 LYS HG3 1.0 . 2.98 1781 1261 A 26 VAL HGx% A 39 LYS HE3 1.0 . 4.11 1782 1261 A 26 VAL HGy% A 39 LYS HE3 1.0 . 4.11 1783 1261 A 39 LYS HE2 A 26 VAL HGy% 1.0 . 4.11 1784 1261 A 26 VAL HGx% A 39 LYS HE2 1.0 . 4.11 1785 1262 A 26 VAL HGx% A 39 LYS HG3 1.0 . 4.16 1786 1263 A 26 VAL HA A 42 LYS HDx 1.0 . 5.09 1787 1263 A 26 VAL HA A 42 LYS HDy 1.0 . 5.09 1788 1264 A 26 VAL HA A 42 LYS HEx 1.0 . 5.50 1789 1264 A 26 VAL HA A 42 LYS HEy 1.0 . 5.50 1790 1265 A 26 VAL HA A 42 LYS HDx 1.0 . 5.09 1791 1265 A 26 VAL HA A 42 LYS HDy 1.0 . 5.09 1792 1266 A 26 VAL HA A 42 LYS HEx 1.0 . 5.50 1793 1266 A 26 VAL HA A 42 LYS HEy 1.0 . 5.50 1794 1267 A 43 SER HBy A 26 VAL HGy% 1.0 . 5.50 1795 1267 A 26 VAL HGy% A 43 SER HBx 1.0 . 5.50 1796 1268 A 26 VAL HGy% A 43 SER HBx 1.0 . 5.44 1797 1268 A 26 VAL HGx% A 43 SER HBx 1.0 . 5.44 1798 1268 A 43 SER HBy A 26 VAL HGy% 1.0 . 5.44 1799 1268 A 26 VAL HGx% A 43 SER HBy 1.0 . 5.44 1800 1269 A 24 SER HA A 45 LYS HEx 1.0 . 5.50 1801 1269 A 24 SER HA A 45 LYS HEy 1.0 . 5.50 1802 1270 A 24 SER HB2 A 45 LYS HDy 1.0 . 4.59 1803 1270 A 24 SER HB2 A 45 LYS HDx 1.0 . 4.59 1804 1271 A 24 SER HA A 45 LYS HEx 1.0 . 5.50 1805 1271 A 24 SER HA A 45 LYS HEy 1.0 . 5.50 1806 1272 A 24 SER HB2 A 45 LYS HDx 1.0 . 4.49 1807 1272 A 24 SER HB3 A 45 LYS HDx 1.0 . 4.49 1808 1272 A 45 LYS HDy A 24 SER HB3 1.0 . 4.49 1809 1272 A 24 SER HB2 A 45 LYS HDy 1.0 . 4.49 1810 1273 A 33 GLU HBy B 37 TYR HBy 1.0 . 6.00 1811 1273 A 33 GLU HBx B 37 TYR HBy 1.0 . 6.00 1812 1273 B 37 TYR HBx A 33 GLU HBx 1.0 . 6.00 1813 1273 A 33 GLU HBy B 37 TYR HBx 1.0 . 6.00 1814 1274 A 33 GLU HBy B 37 TYR HBy 1.0 . 6.00 1815 1274 A 33 GLU HBx B 37 TYR HBy 1.0 . 6.00 1816 1274 B 37 TYR HBx A 33 GLU HBx 1.0 . 6.00 1817 1274 A 33 GLU HBy B 37 TYR HBx 1.0 . 6.00 1818 1275 B 37 TYR HE% A 33 GLU HG2 1.0 . 5.50 1819 1276 B 37 TYR HE% A 33 GLU HG3 1.0 . 4.46 1820 1277 A 33 GLU HA B 40 TRP HD1 1.0 . 6.00 1821 1278 B 40 TRP HD1 A 33 GLU HBx 1.0 . 6.00 1822 1278 A 33 GLU HBy B 40 TRP HD1 1.0 . 6.00 1823 1279 A 33 GLU HA B 40 TRP HD1 1.0 . 6.00 1824 1280 B 40 TRP HD1 A 33 GLU HBx 1.0 . 6.00 1825 1280 A 33 GLU HBy B 40 TRP HD1 1.0 . 6.00 1826 1281 A 33 GLU HBy B 41 ARG HBy 1.0 . 5.50 1827 1281 A 33 GLU HBx B 41 ARG HBy 1.0 . 5.50 1828 1282 A 33 GLU HG3 B 41 ARG HBy 1.0 . 6.00 1829 1282 A 33 GLU HG2 B 41 ARG HBy 1.0 . 6.00 1830 1282 B 41 ARG HBx A 33 GLU HG2 1.0 . 6.00 1831 1282 A 33 GLU HG3 B 41 ARG HBx 1.0 . 6.00 1832 1283 A 33 GLU HG3 B 41 ARG HBy 1.0 . 6.00 1833 1283 A 33 GLU HG2 B 41 ARG HBy 1.0 . 6.00 1834 1283 B 41 ARG HBx A 33 GLU HG2 1.0 . 6.00 1835 1283 A 33 GLU HG3 B 41 ARG HBx 1.0 . 6.00 1836 1284 A 33 GLU HG3 B 42 LYS HEy 1.0 . 5.50 1837 1284 A 33 GLU HG3 B 42 LYS HEx 1.0 . 5.50 1838 1285 B 40 TRP HD1 A 36 ASP HB3 1.0 . 6.00 1839 1285 A 36 ASP HB2 B 40 TRP HD1 1.0 . 6.00 1840 1286 B 40 TRP HD1 A 36 ASP HB3 1.0 . 6.00 1841 1286 A 36 ASP HB2 B 40 TRP HD1 1.0 . 6.00 1842 1287 A 37 TYR HE% B 33 GLU HGx 1.0 . 5.50 1843 1288 A 37 TYR HE% B 33 GLU HGy 1.0 . 4.46 1844 1289 A 37 TYR HA B 37 TYR HA 1.0 . 6.00 1845 1290 A 37 TYR HA B 37 TYR HA 1.0 . 6.00 1846 1291 A 37 TYR HD% B 37 TYR HA 1.0 . 5.41 1847 1292 A 37 TYR HE% B 37 TYR HBx 1.0 . 5.50 1848 1293 A 37 TYR HA B 37 TYR HD% 1.0 . 5.41 1849 1294 A 37 TYR HB2 B 37 TYR HE% 1.0 . 5.50 1850 1295 A 37 TYR HA B 40 TRP HE3 1.0 . 6.00 1851 1296 B 40 TRP HE3 A 37 TYR HB3 1.0 . 6.00 1852 1296 A 37 TYR HB2 B 40 TRP HE3 1.0 . 6.00 1853 1297 A 37 TYR HA B 40 TRP HE3 1.0 . 6.00 1854 1298 B 40 TRP HE3 A 37 TYR HB3 1.0 . 6.00 1855 1298 A 37 TYR HB2 B 40 TRP HE3 1.0 . 6.00 1856 1299 B 40 TRP HH2 A 40 TRP HB2 1.0 . 5.50 1857 1300 A 40 TRP HA B 40 TRP HZ2 1.0 . 6.00 1858 1301 A 40 TRP HA B 40 TRP HZ2 1.0 . 6.00 1859 1302 B 40 TRP HE3 A 40 TRP HB2 1.0 . 6.00 1860 1302 A 40 TRP HB3 B 40 TRP HE3 1.0 . 6.00 1861 1303 B 40 TRP HZ2 A 40 TRP HB2 1.0 . 6.00 1862 1303 A 40 TRP HB3 B 40 TRP HZ2 1.0 . 6.00 1863 1304 B 40 TRP HE3 A 40 TRP HB2 1.0 . 6.00 1864 1304 A 40 TRP HB3 B 40 TRP HE3 1.0 . 6.00 1865 1305 B 40 TRP HZ2 A 40 TRP HB2 1.0 . 6.00 1866 1305 A 40 TRP HB3 B 40 TRP HZ2 1.0 . 6.00 1867 1306 A 41 ARG HGx B 29 LYS HEx 1.0 . 6.00 1868 1306 A 41 ARG HGy B 29 LYS HEx 1.0 . 6.00 1869 1306 B 29 LYS HEy A 41 ARG HGx 1.0 . 6.00 1870 1306 A 41 ARG HGy B 29 LYS HEy 1.0 . 6.00 1871 1307 A 41 ARG HGx B 29 LYS HEx 1.0 . 6.00 1872 1307 A 41 ARG HGy B 29 LYS HEx 1.0 . 6.00 1873 1307 B 29 LYS HEy A 41 ARG HGx 1.0 . 6.00 1874 1307 A 41 ARG HGy B 29 LYS HEy 1.0 . 6.00 1875 1308 A 41 ARG HGy B 29 LYS HGx 1.0 . 6.00 1876 1308 A 41 ARG HGx B 29 LYS HGx 1.0 . 6.00 1877 1308 B 29 LYS HGy A 41 ARG HGx 1.0 . 6.00 1878 1308 A 41 ARG HGy B 29 LYS HGy 1.0 . 6.00 1879 1309 A 41 ARG HGy B 29 LYS HGx 1.0 . 6.00 1880 1309 A 41 ARG HGx B 29 LYS HGx 1.0 . 6.00 1881 1309 B 29 LYS HGy A 41 ARG HGx 1.0 . 6.00 1882 1309 A 41 ARG HGy B 29 LYS HGy 1.0 . 6.00 1883 1310 B 33 GLU HBy A 41 ARG HB3 1.0 . 5.50 1884 1310 A 41 ARG HB3 B 33 GLU HBx 1.0 . 5.50 1885 1311 A 41 ARG HD2 B 33 GLU HGx 1.0 . 6.00 1886 1311 A 41 ARG HD3 B 33 GLU HGx 1.0 . 6.00 1887 1311 B 33 GLU HGy A 41 ARG HD3 1.0 . 6.00 1888 1311 A 41 ARG HD2 B 33 GLU HGy 1.0 . 6.00 1889 1312 A 41 ARG HD2 B 33 GLU HGx 1.0 . 6.00 1890 1312 A 41 ARG HD3 B 33 GLU HGx 1.0 . 6.00 1891 1312 B 33 GLU HGy A 41 ARG HD3 1.0 . 6.00 1892 1312 A 41 ARG HD2 B 33 GLU HGy 1.0 . 6.00 1893 1313 A 41 ARG HD2 B 40 TRP HE3 1.0 . 5.34 1894 1314 B 40 TRP HE3 A 41 ARG HD3 1.0 . 5.50 1895 1315 A 42 LYS HEy B 33 GLU HGy 1.0 . 5.50 1896 1315 B 33 GLU HGy A 42 LYS HEx 1.0 . 5.50 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 7 ASP C A 8 GLY N A 8 GLY CA A 8 GLY C 1.0 65.0 160.0 PHI 2 2 A 14 TRP N A 14 TRP CA A 14 TRP C A 15 GLU N 1.0 -52.6 -32.6 PSI 3 3 A 14 TRP C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -74.3 -54.3 PHI 4 4 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 LYS N 1.0 -51.4 -31.4 PSI 5 5 A 15 GLU C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -77.9 -51.9 PHI 6 6 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 LEU N 1.0 -49.0 -29.0 PSI 7 7 A 16 LYS C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -75.0 -55.0 PHI 8 8 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 VAL N 1.0 -56.2 -36.2 PSI 9 9 A 17 LEU C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -72.7 -52.7 PHI 10 10 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 ARG N 1.0 -54.9 -34.9 PSI 11 11 A 18 VAL C A 19 ARG N A 19 ARG CA A 19 ARG C 1.0 -72.0 -52.0 PHI 12 12 A 19 ARG N A 19 ARG CA A 19 ARG C A 20 ASP N 1.0 -50.4 -30.4 PSI 13 13 A 19 ARG C A 20 ASP N A 20 ASP CA A 20 ASP C 1.0 -78.1 -58.1 PHI 14 14 A 20 ASP N A 20 ASP CA A 20 ASP C A 21 ALA N 1.0 -48.1 -28.1 PSI 15 15 A 20 ASP C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -72.5 -52.5 PHI 16 16 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 MET N 1.0 -54.9 -34.9 PSI 17 17 A 21 ALA C A 22 MET N A 22 MET CA A 22 MET C 1.0 -71.5 -51.5 PHI 18 18 A 22 MET N A 22 MET CA A 22 MET C A 23 THR N 1.0 -55.0 -34.9 PSI 19 19 A 22 MET C A 23 THR N A 23 THR CA A 23 THR C 1.0 -76.7 -56.7 PHI 20 20 A 23 THR N A 23 THR CA A 23 THR C A 24 SER N 1.0 -50.4 -24.1 PSI 21 21 A 23 THR C A 24 SER N A 24 SER CA A 24 SER C 1.0 -100.2 -78.2 PHI 22 22 A 24 SER N A 24 SER CA A 24 SER C A 25 GLY N 1.0 -11.8 8.2 PSI 23 23 A 27 SER C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -71.4 -51.4 PHI 24 24 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 LYS N 1.0 -43.7 -21.9 PSI 25 25 A 28 LYS C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -71.4 -51.4 PHI 26 26 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 GLN N 1.0 -50.6 -30.6 PSI 27 27 A 29 LYS C A 30 GLN N A 30 GLN CA A 30 GLN C 1.0 -74.3 -54.3 PHI 28 28 A 30 GLN N A 30 GLN CA A 30 GLN C A 31 PHE N 1.0 -51.5 -29.5 PSI 29 29 A 30 GLN C A 31 PHE N A 31 PHE CA A 31 PHE C 1.0 -72.6 -52.6 PHI 30 30 A 31 PHE N A 31 PHE CA A 31 PHE C A 32 ARG N 1.0 -54.7 -34.7 PSI 31 31 A 31 PHE C A 32 ARG N A 32 ARG CA A 32 ARG C 1.0 -73.7 -53.7 PHI 32 32 A 32 ARG N A 32 ARG CA A 32 ARG C A 33 GLU N 1.0 -52.3 -32.3 PSI 33 33 A 32 ARG C A 33 GLU N A 33 GLU CA A 33 GLU C 1.0 -75.1 -55.1 PHI 34 34 A 33 GLU N A 33 GLU CA A 33 GLU C A 34 PHE N 1.0 -50.8 -30.8 PSI 35 35 A 33 GLU C A 34 PHE N A 34 PHE CA A 34 PHE C 1.0 -87.6 -51.7 PHI 36 36 A 34 PHE N A 34 PHE CA A 34 PHE C A 35 LEU N 1.0 -65.4 -13.0 PSI 37 37 A 34 PHE C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -70.8 -50.8 PHI 38 38 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 ASP N 1.0 -48.6 -28.6 PSI 39 39 A 35 LEU C A 36 ASP N A 36 ASP CA A 36 ASP C 1.0 -78.8 -58.8 PHI 40 40 A 36 ASP N A 36 ASP CA A 36 ASP C A 37 TYR N 1.0 -46.5 -26.5 PSI 41 41 A 36 ASP C A 37 TYR N A 37 TYR CA A 37 TYR C 1.0 -73.3 -53.3 PHI 42 42 A 37 TYR N A 37 TYR CA A 37 TYR C A 38 GLN N 1.0 -52.1 -32.1 PSI 43 43 A 37 TYR C A 38 GLN N A 38 GLN CA A 38 GLN C 1.0 -75.0 -55.0 PHI 44 44 A 38 GLN N A 38 GLN CA A 38 GLN C A 39 LYS N 1.0 -47.0 -27.0 PSI 45 45 A 38 GLN C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -76.8 -56.8 PHI 46 46 A 39 LYS N A 39 LYS CA A 39 LYS C A 40 TRP N 1.0 -52.7 -32.7 PSI 47 47 A 39 LYS C A 40 TRP N A 40 TRP CA A 40 TRP C 1.0 -74.5 -54.5 PHI 48 48 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 LYS N 1.0 -53.1 -29.1 PSI 49 49 A 41 ARG C A 42 LYS N A 42 LYS CA A 42 LYS C 1.0 -77.5 -57.5 PHI 50 50 A 42 LYS N A 42 LYS CA A 42 LYS C A 43 SER N 1.0 -37.5 -14.2 PSI stop_ save_