data_nef_c17425_2l8t save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 2 GLU start . . 2 A 3 THR middle . . 3 A 4 LYS middle . . 4 A 5 TYR middle . . 5 A 6 GLU middle . . 6 A 7 LEU middle . . 7 A 8 ASN middle . . 8 A 9 ASN middle . . 9 A 10 THR middle . . 10 A 11 LYS middle . . 11 A 12 LYS middle . . 12 A 13 VAL middle . . 13 A 14 ALA middle . . 14 A 15 ASN middle . . 15 A 16 ALA middle . . 16 A 17 PHE middle . . 17 A 18 GLY middle . false 18 A 19 LEU middle . . 19 A 20 ASN middle . . 20 A 21 GLU middle . . 21 A 22 GLU middle . . 22 A 23 ASP middle . . 23 A 24 THR middle . . 24 A 25 ASN middle . . 25 A 26 LEU middle . . 26 A 27 LEU middle . . 27 A 28 ILE middle . . 28 A 29 ASN middle . . 29 A 30 ALA middle . . 30 A 31 VAL middle . . 31 A 32 ASP middle . . 32 A 33 LEU middle . . 33 A 34 ASP middle . . 34 A 35 ILE middle . . 35 A 36 LYS middle . . 36 A 37 ASN middle . . 37 A 38 ASN middle . . 38 A 39 MET middle . . 39 A 40 GLN middle . . 40 A 41 GLU middle . . 41 A 42 ILE middle . . 42 A 43 SER middle . . 43 A 44 SER middle . . 44 A 45 GLU middle . . 45 A 46 LEU middle . . 46 A 47 GLN middle . . 47 A 48 GLN middle . . 48 A 49 SER middle . . 49 A 50 GLU middle . . 50 A 51 GLN middle . . 51 A 52 SER middle . . 52 A 53 LYS middle . . 53 A 54 GLN middle . . 54 A 55 LYS middle . . 55 A 56 GLN middle . . 56 A 57 TYR middle . . 57 A 58 GLY middle . false 58 A 59 THR middle . . 59 A 60 THR middle . . 60 A 61 LEU middle . . 61 A 62 GLN middle . . 62 A 63 ASN middle . . 63 A 64 LEU middle . . 64 A 65 ALA middle . . 65 A 66 LYS middle . . 66 A 67 GLN middle . . 67 A 68 ASN middle . . 68 A 69 ARG middle . . 69 A 70 ILE middle . . 70 A 71 ILE middle . . 71 A 72 LYS end . . 72 B 174 GLU start . . 73 B 175 THR middle . . 74 B 176 LYS middle . . 75 B 177 TYR middle . . 76 B 178 GLU middle . . 77 B 179 LEU middle . . 78 B 180 ASN middle . . 79 B 181 ASN middle . . 80 B 182 THR middle . . 81 B 183 LYS middle . . 82 B 184 LYS middle . . 83 B 185 VAL middle . . 84 B 186 ALA middle . . 85 B 187 ASN middle . . 86 B 188 ALA middle . . 87 B 189 PHE middle . . 88 B 190 GLY middle . false 89 B 191 LEU middle . . 90 B 192 ASN middle . . 91 B 193 GLU middle . . 92 B 194 GLU middle . . 93 B 195 ASP middle . . 94 B 196 THR middle . . 95 B 197 ASN middle . . 96 B 198 LEU middle . . 97 B 199 LEU middle . . 98 B 200 ILE middle . . 99 B 201 ASN middle . . 100 B 202 ALA middle . . 101 B 203 VAL middle . . 102 B 204 ASP middle . . 103 B 205 LEU middle . . 104 B 206 ASP middle . . 105 B 207 ILE middle . . 106 B 208 LYS middle . . 107 B 209 ASN middle . . 108 B 210 ASN middle . . 109 B 211 MET middle . . 110 B 212 GLN middle . . 111 B 213 GLU middle . . 112 B 214 ILE middle . . 113 B 215 SER middle . . 114 B 216 SER middle . . 115 B 217 GLU middle . . 116 B 218 LEU middle . . 117 B 219 GLN middle . . 118 B 220 GLN middle . . 119 B 221 SER middle . . 120 B 222 GLU middle . . 121 B 223 GLN middle . . 122 B 224 SER middle . . 123 B 225 LYS middle . . 124 B 226 GLN middle . . 125 B 227 LYS middle . . 126 B 228 GLN middle . . 127 B 229 TYR middle . . 128 B 230 GLY middle . false 129 B 231 THR middle . . 130 B 232 THR middle . . 131 B 233 LEU middle . . 132 B 234 GLN middle . . 133 B 235 ASN middle . . 134 B 236 LEU middle . . 135 B 237 ALA middle . . 136 B 238 LYS middle . . 137 B 239 GLN middle . . 138 B 240 ASN middle . . 139 B 241 ARG middle . . 140 B 242 ILE middle . . 141 B 243 ILE middle . . 142 B 244 LYS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_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 GLU H1 H 1 8.3259 0.02 A 2 GLU HA H 1 4.2850 0.02 A 2 GLU HB2 H 1 1.9789 0.02 A 2 GLU HB3 H 1 1.8391 0.02 A 2 GLU HG2 H 1 2.3000 0.02 A 2 GLU HG3 H 1 2.1540 0.02 A 2 GLU CA C 13 50.1064 0.05 A 2 GLU CB C 13 27.7456 0.05 A 2 GLU CG C 13 38.4166 0.05 A 2 GLU N N 15 122.8506 0.05 A 3 THR H H 1 8.1010 0.02 A 3 THR HA H 1 4.2621 0.02 A 3 THR HB H 1 4.0084 0.02 A 3 THR HG2% H 1 1.0750 0.02 A 3 THR CA C 13 58.9028 0.05 A 3 THR CB C 13 67.0477 0.05 A 3 THR CG2 C 13 18.3914 0.05 A 3 THR N N 15 116.5329 0.05 A 4 LYS H H 1 8.5560 0.02 A 4 LYS HA H 1 4.1779 0.02 A 4 LYS HB2 H 1 1.5722 0.02 A 4 LYS HB3 H 1 1.4862 0.02 A 4 LYS HD2 H 1 1.1160 0.02 A 4 LYS HD3 H 1 1.1160 0.02 A 4 LYS HG2 H 1 1.4870 0.02 A 4 LYS HG3 H 1 1.4870 0.02 A 4 LYS CA C 13 53.4828 0.05 A 4 LYS CB C 13 30.4012 0.05 A 4 LYS CD C 13 21.7511 0.05 A 4 LYS CG C 13 26.0116 0.05 A 4 LYS N N 15 124.7803 0.05 A 5 TYR H H 1 7.9730 0.02 A 5 TYR HA H 1 4.5859 0.02 A 5 TYR HB2 H 1 2.7886 0.02 A 5 TYR HB3 H 1 2.6232 0.02 A 5 TYR HD1 H 1 6.9770 0.02 A 5 TYR HD2 H 1 6.9770 0.02 A 5 TYR HE1 H 1 6.6910 0.02 A 5 TYR HE2 H 1 6.6910 0.02 A 5 TYR CA C 13 54.1074 0.05 A 5 TYR CB C 13 36.4555 0.05 A 5 TYR CD1 C 13 130.0100 0.05 A 5 TYR CD2 C 13 130.0100 0.05 A 5 TYR CE1 C 13 115.7880 0.05 A 5 TYR CE2 C 13 115.7880 0.05 A 5 TYR N N 15 120.0641 0.05 A 6 GLU H H 1 8.6290 0.02 A 6 GLU HA H 1 4.4114 0.02 A 6 GLU HB2 H 1 2.0606 0.02 A 6 GLU HB3 H 1 1.9820 0.02 A 6 GLU HG2 H 1 2.2320 0.02 A 6 GLU HG3 H 1 2.2320 0.02 A 6 GLU CA C 13 53.1226 0.05 A 6 GLU CB C 13 27.6386 0.05 A 6 GLU CG C 13 33.3232 0.05 A 6 GLU N N 15 121.7818 0.05 A 7 LEU HA H 1 4.5058 0.02 A 7 LEU HB2 H 1 1.6827 0.02 A 7 LEU HB3 H 1 1.5322 0.02 A 7 LEU HD1% H 1 1.0167 0.02 A 7 LEU HG H 1 1.6454 0.02 A 7 LEU CA C 13 50.0819 0.05 A 7 LEU CB C 13 37.0327 0.05 A 7 LEU CD1 C 13 24.1421 0.05 A 7 LEU CD2 C 13 20.7907 0.05 A 7 LEU CG C 13 23.2662 0.05 A 8 ASN H H 1 7.3280 0.02 A 8 ASN HA H 1 4.2406 0.02 A 8 ASN HB2 H 1 2.7023 0.02 A 8 ASN HB3 H 1 2.7130 0.02 A 8 ASN HD21 H 1 7.1725 0.02 A 8 ASN HD22 H 1 7.5934 0.02 A 8 ASN CA C 13 54.6743 0.05 A 8 ASN CB C 13 36.3671 0.05 A 8 ASN N N 15 116.3391 0.05 A 8 ASN ND2 N 15 114.3437 0.05 A 9 ASN H H 1 11.0200 0.02 A 9 ASN HA H 1 4.3464 0.02 A 9 ASN HB2 H 1 3.0397 0.02 A 9 ASN HB3 H 1 2.3954 0.02 A 9 ASN HD21 H 1 7.3601 0.02 A 9 ASN HD22 H 1 7.5592 0.02 A 9 ASN CA C 13 55.3198 0.05 A 9 ASN CB C 13 36.0162 0.05 A 9 ASN N N 15 121.7093 0.05 A 9 ASN ND2 N 15 116.8438 0.05 A 10 THR H H 1 10.0150 0.02 A 10 THR HA H 1 3.4273 0.02 A 10 THR HB H 1 4.0910 0.02 A 10 THR HG1 H 1 5.7384 0.02 A 10 THR CA C 13 65.8391 0.05 A 10 THR CB C 13 64.6719 0.05 A 10 THR CG2 C 13 18.4717 0.05 A 10 THR N N 15 123.5500 0.05 A 11 LYS H H 1 8.0982 0.02 A 11 LYS HA H 1 3.7259 0.02 A 11 LYS HB2 H 1 1.9910 0.02 A 11 LYS HB3 H 1 1.7665 0.02 A 11 LYS HD2 H 1 1.6560 0.02 A 11 LYS HD3 H 1 1.6560 0.02 A 11 LYS HG2 H 1 1.6275 0.02 A 11 LYS HG3 H 1 1.1941 0.02 A 11 LYS CA C 13 64.5663 0.05 A 11 LYS CB C 13 29.6260 0.05 A 11 LYS CD C 13 26.8901 0.05 A 11 LYS CG C 13 24.4475 0.05 A 11 LYS N N 15 119.0099 0.05 A 12 LYS H H 1 7.5330 0.02 A 12 LYS HA H 1 4.0231 0.02 A 12 LYS HB2 H 1 1.9576 0.02 A 12 LYS HB3 H 1 1.7989 0.02 A 12 LYS HD2 H 1 1.6500 0.02 A 12 LYS HD3 H 1 1.6500 0.02 A 12 LYS HG2 H 1 1.5896 0.02 A 12 LYS HG3 H 1 1.3736 0.02 A 12 LYS CA C 13 57.2530 0.05 A 12 LYS CB C 13 29.5319 0.05 A 12 LYS CD C 13 27.0698 0.05 A 12 LYS CG C 13 22.7864 0.05 A 12 LYS N N 15 120.0864 0.05 A 13 VAL H H 1 7.9340 0.02 A 13 VAL HA H 1 3.4530 0.02 A 13 VAL HB H 1 1.7806 0.02 A 13 VAL HGx% H 1 0.8194 0.02 A 13 VAL HGy% H 1 0.4240 0.02 A 13 VAL CA C 13 62.9497 0.05 A 13 VAL CB C 13 33.5970 0.05 A 13 VAL CGy C 13 20.7452 0.05 A 13 VAL CGx C 13 19.7753 0.05 A 13 VAL N N 15 121.0217 0.05 A 14 ALA H H 1 8.1700 0.02 A 14 ALA HA H 1 3.7298 0.02 A 14 ALA HB% H 1 1.4560 0.02 A 14 ALA CA C 13 52.8997 0.05 A 14 ALA CB C 13 18.0524 0.05 A 14 ALA N N 15 121.7309 0.05 A 15 ASN H H 1 7.6430 0.02 A 15 ASN HA H 1 4.5315 0.02 A 15 ASN HB2 H 1 2.8359 0.02 A 15 ASN HB3 H 1 2.7704 0.02 A 15 ASN CA C 13 53.4068 0.05 A 15 ASN CB C 13 36.3946 0.05 A 15 ASN N N 15 114.2927 0.05 A 16 ALA H H 1 7.9290 0.02 A 16 ALA HA H 1 4.1084 0.02 A 16 ALA HB% H 1 1.4050 0.02 A 16 ALA CA C 13 52.2640 0.05 A 16 ALA CB C 13 14.8601 0.05 A 16 ALA N N 15 125.4134 0.05 A 17 PHE H H 1 8.0790 0.02 A 17 PHE HA H 1 4.8051 0.02 A 17 PHE HB2 H 1 3.3633 0.02 A 17 PHE HB3 H 1 3.0923 0.02 A 17 PHE HD1 H 1 6.9540 0.02 A 17 PHE HD2 H 1 6.9540 0.02 A 17 PHE HE1 H 1 7.1550 0.02 A 17 PHE HE2 H 1 7.1550 0.02 A 17 PHE HZ H 1 7.4220 0.02 A 17 PHE CA C 13 52.1593 0.05 A 17 PHE CB C 13 35.2493 0.05 A 17 PHE CD1 C 13 126.6300 0.05 A 17 PHE CD2 C 13 126.6300 0.05 A 17 PHE CE1 C 13 128.3000 0.05 A 17 PHE CE2 C 13 128.3000 0.05 A 17 PHE CZ C 13 126.9483 0.05 A 17 PHE N N 15 115.6714 0.05 A 18 GLY H H 1 7.9170 0.02 A 18 GLY HA2 H 1 3.9682 0.02 A 18 GLY HA3 H 1 3.8598 0.02 A 18 GLY CA C 13 43.4940 0.05 A 18 GLY N N 15 108.2885 0.05 A 19 LEU H H 1 7.5420 0.02 A 19 LEU HA H 1 4.3026 0.02 A 19 LEU HB2 H 1 1.7236 0.02 A 19 LEU HB3 H 1 1.2418 0.02 A 19 LEU HD1% H 1 0.7770 0.02 A 19 LEU HD2% H 1 0.4236 0.02 A 19 LEU HG H 1 1.8275 0.02 A 19 LEU CA C 13 52.1670 0.05 A 19 LEU CB C 13 38.2003 0.05 A 19 LEU CD1 C 13 22.8500 0.05 A 19 LEU CD2 C 13 18.8647 0.05 A 19 LEU CG C 13 24.3058 0.05 A 19 LEU N N 15 118.0379 0.05 A 20 ASN H H 1 9.1885 0.02 A 20 ASN HA H 1 4.5326 0.02 A 20 ASN HB2 H 1 3.3802 0.02 A 20 ASN HB3 H 1 2.9569 0.02 A 20 ASN HD21 H 1 6.9162 0.02 A 20 ASN HD22 H 1 7.2478 0.02 A 20 ASN CA C 13 48.8733 0.05 A 20 ASN CB C 13 35.1406 0.05 A 20 ASN N N 15 121.0876 0.05 A 20 ASN ND2 N 15 109.8912 0.05 A 21 GLU H H 1 8.7020 0.02 A 21 GLU HA H 1 3.8849 0.02 A 21 GLU HB2 H 1 2.0737 0.02 A 21 GLU HB3 H 1 1.9755 0.02 A 21 GLU HG2 H 1 2.2320 0.02 A 21 GLU HG3 H 1 2.2320 0.02 A 21 GLU CA C 13 58.1330 0.05 A 21 GLU CB C 13 26.9938 0.05 A 21 GLU CG C 13 37.0851 0.05 A 21 GLU N N 15 121.3751 0.05 A 22 GLU H H 1 8.2650 0.02 A 22 GLU HA H 1 4.0498 0.02 A 22 GLU HB2 H 1 2.0430 0.02 A 22 GLU HB3 H 1 2.0430 0.02 A 22 GLU HG2 H 1 2.3419 0.02 A 22 GLU HG3 H 1 2.2700 0.02 A 22 GLU CA C 13 57.2521 0.05 A 22 GLU CB C 13 27.4252 0.05 A 22 GLU CG C 13 33.8630 0.05 A 22 GLU N N 15 120.5913 0.05 A 23 ASP H H 1 9.0420 0.02 A 23 ASP HA H 1 4.6474 0.02 A 23 ASP HBy H 1 2.4309 0.02 A 23 ASP HBx H 1 2.2533 0.02 A 23 ASP CA C 13 54.6707 0.05 A 23 ASP CB C 13 37.3685 0.05 A 23 ASP N N 15 122.6601 0.05 A 24 THR H H 1 8.4690 0.02 A 24 THR HA H 1 3.6691 0.02 A 24 THR HB H 1 4.2396 0.02 A 24 THR HG2% H 1 1.0820 0.02 A 24 THR CA C 13 65.7794 0.05 A 24 THR CB C 13 65.1193 0.05 A 24 THR CG2 C 13 17.8633 0.05 A 24 THR N N 15 118.1358 0.05 A 25 ASN H H 1 8.1260 0.02 A 25 ASN HA H 1 4.4168 0.02 A 25 ASN HB2 H 1 2.9399 0.02 A 25 ASN HB3 H 1 2.7580 0.02 A 25 ASN CA C 13 53.7762 0.05 A 25 ASN CB C 13 35.2460 0.05 A 25 ASN N N 15 120.2712 0.05 A 26 LEU H H 1 8.0730 0.02 A 26 LEU HA H 1 4.1149 0.02 A 26 LEU HB2 H 1 2.1247 0.02 A 26 LEU HB3 H 1 1.8361 0.02 A 26 LEU HD1% H 1 1.0140 0.02 A 26 LEU HD2% H 1 0.9648 0.02 A 26 LEU HG H 1 1.7892 0.02 A 26 LEU CA C 13 55.7824 0.05 A 26 LEU CB C 13 39.8752 0.05 A 26 LEU CD1 C 13 21.8108 0.05 A 26 LEU CD2 C 13 21.6422 0.05 A 26 LEU CG C 13 23.6451 0.05 A 26 LEU N N 15 121.9986 0.05 A 27 LEU H H 1 8.1509 0.02 A 27 LEU HA H 1 4.1385 0.02 A 27 LEU HB2 H 1 2.3325 0.02 A 27 LEU HB3 H 1 1.6905 0.02 A 27 LEU HD1% H 1 0.9326 0.02 A 27 LEU HD2% H 1 0.4533 0.02 A 27 LEU HG H 1 1.5316 0.02 A 27 LEU CA C 13 55.8138 0.05 A 27 LEU CB C 13 39.2673 0.05 A 27 LEU CD1 C 13 23.5590 0.05 A 27 LEU CD2 C 13 20.3081 0.05 A 27 LEU CG C 13 24.4480 0.05 A 27 LEU N N 15 121.0039 0.05 A 28 ILE H H 1 8.6800 0.02 A 28 ILE HA H 1 3.5532 0.02 A 28 ILE HB H 1 2.0076 0.02 A 28 ILE HD1% H 1 0.7713 0.02 A 28 ILE HG12 H 1 1.5105 0.02 A 28 ILE HG13 H 1 1.5105 0.02 A 28 ILE HG2% H 1 0.8912 0.02 A 28 ILE CA C 13 61.9356 0.05 A 28 ILE CB C 13 33.9332 0.05 A 28 ILE CD1 C 13 10.2168 0.05 A 28 ILE CG1 C 13 25.8765 0.05 A 28 ILE CG2 C 13 14.8928 0.05 A 28 ILE N N 15 118.5515 0.05 A 29 ASN H H 1 8.1780 0.02 A 29 ASN HA H 1 4.3861 0.02 A 29 ASN HB2 H 1 2.8649 0.02 A 29 ASN HB3 H 1 2.7421 0.02 A 29 ASN CA C 13 57.8431 0.05 A 29 ASN CB C 13 35.8379 0.05 A 29 ASN N N 15 117.3175 0.05 A 30 ALA H H 1 7.7640 0.02 A 30 ALA HA H 1 3.9532 0.02 A 30 ALA HB% H 1 1.3629 0.02 A 30 ALA CA C 13 53.81674 0.05 A 30 ALA CB C 13 15.8225 0.05 A 30 ALA N N 15 123.5063 0.05 A 31 VAL H H 1 8.2300 0.02 A 31 VAL HA H 1 3.4752 0.02 A 31 VAL HB H 1 2.1469 0.02 A 31 VAL HG2% H 1 1.1986 0.02 A 31 VAL CA C 13 64.4222 0.05 A 31 VAL CB C 13 28.8760 0.05 A 31 VAL CG1 C 13 20.7490 0.05 A 31 VAL CG2 C 13 20.1726 0.05 A 31 VAL N N 15 119.5632 0.05 A 32 ASP H H 1 8.4690 0.02 A 32 ASP HA H 1 4.3367 0.02 A 32 ASP HB2 H 1 2.9057 0.02 A 32 ASP HB3 H 1 2.7842 0.02 A 32 ASP CA C 13 53.6838 0.05 A 32 ASP CB C 13 39.3156 0.05 A 32 ASP N N 15 119.3449 0.05 A 33 LEU H H 1 7.8590 0.02 A 33 LEU HA H 1 4.0753 0.02 A 33 LEU HB2 H 1 1.8002 0.02 A 33 LEU HB3 H 1 1.5990 0.02 A 33 LEU HD1% H 1 0.8577 0.02 A 33 LEU HD2% H 1 0.8577 0.02 A 33 LEU HG H 1 1.7629 0.02 A 33 LEU CA C 13 55.2032 0.05 A 33 LEU CB C 13 39.5447 0.05 A 33 LEU CD1 C 13 21.6658 0.05 A 33 LEU CD2 C 13 20.8805 0.05 A 33 LEU CG C 13 24.0507 0.05 A 33 LEU N N 15 118.5115 0.05 A 34 ASP H H 1 8.4260 0.02 A 34 ASP HA H 1 4.6618 0.02 A 34 ASP HB2 H 1 2.9729 0.02 A 34 ASP HB3 H 1 2.5484 0.02 A 34 ASP CA C 13 55.3389 0.05 A 34 ASP CB C 13 39.0101 0.05 A 34 ASP N N 15 120.2962 0.05 A 35 ILE H H 1 9.0050 0.02 A 35 ILE HA H 1 3.2826 0.02 A 35 ILE HB H 1 1.8705 0.02 A 35 ILE HD1% H 1 0.4688 0.02 A 35 ILE HG12 H 1 1.7675 0.02 A 35 ILE HG13 H 1 0.5168 0.02 A 35 ILE HG2% H 1 0.3698 0.02 A 35 ILE CA C 13 64.5157 0.05 A 35 ILE CB C 13 34.5589 0.05 A 35 ILE CD1 C 13 11.3727 0.05 A 35 ILE CG1 C 13 26.7946 0.05 A 35 ILE CG2 C 13 16.5699 0.05 A 35 ILE N N 15 123.8513 0.05 A 36 LYS H H 1 8.0890 0.02 A 36 LYS HA H 1 3.9426 0.02 A 36 LYS HB2 H 1 2.6484 0.02 A 36 LYS HB3 H 1 1.9700 0.02 A 36 LYS CA C 13 57.1277 0.05 A 36 LYS CB C 13 33.9406 0.05 A 36 LYS CD C 13 26.5528 0.05 A 36 LYS CG C 13 23.3953 0.05 A 36 LYS N N 15 119.4196 0.05 A 37 ASN H H 1 8.4230 0.02 A 37 ASN HA H 1 4.6206 0.02 A 37 ASN HB2 H 1 3.0518 0.02 A 37 ASN HB3 H 1 2.9788 0.02 A 37 ASN CA C 13 52.2935 0.05 A 37 ASN CB C 13 35.7802 0.05 A 37 ASN N N 15 116.8209 0.05 A 38 ASN HA H 1 4.9641 0.02 A 38 ASN HBy H 1 2.7394 0.02 A 38 ASN HBx H 1 2.5141 0.02 A 38 ASN HD2x H 1 7.6371 0.02 A 38 ASN HD2y H 1 8.1062 0.02 A 38 ASN CA C 13 52.0545 0.05 A 38 ASN CB C 13 39.7832 0.05 A 38 ASN N N 15 117.2688 0.05 A 38 ASN ND2 N 15 116.1417 0.05 A 39 MET H H 1 7.8350 0.02 A 39 MET HA H 1 4.1698 0.02 A 39 MET HB2 H 1 2.2023 0.02 A 39 MET HB3 H 1 2.0930 0.02 A 39 MET HG2 H 1 2.6680 0.02 A 39 MET HG3 H 1 2.5680 0.02 A 39 MET CA C 13 55.7938 0.05 A 39 MET CB C 13 30.2056 0.05 A 39 MET CG C 13 29.7129 0.05 A 39 MET N N 15 119.3981 0.05 A 40 GLN H H 1 8.3880 0.02 A 40 GLN HA H 1 4.1384 0.02 A 40 GLN HB2 H 1 2.1240 0.02 A 40 GLN HB3 H 1 2.1240 0.02 A 40 GLN HG2 H 1 2.4230 0.02 A 40 GLN HG3 H 1 2.4230 0.02 A 40 GLN CA C 13 55.7503 0.05 A 40 GLN CB C 13 28.6569 0.05 A 40 GLN CG C 13 31.3139 0.05 A 40 GLN N N 15 119.1486 0.05 A 41 GLU H H 1 8.2450 0.02 A 41 GLU HA H 1 4.2130 0.02 A 41 GLU HBx H 1 2.1540 0.02 A 41 GLU HBy H 1 2.1540 0.02 A 41 GLU HGx H 1 2.3880 0.02 A 41 GLU HGy H 1 2.3880 0.02 A 41 GLU CA C 13 55.7129 0.05 A 41 GLU CB C 13 27.2063 0.05 A 41 GLU CG C 13 33.8652 0.05 A 41 GLU N N 15 121.5082 0.05 A 42 ILE H H 1 8.2790 0.02 A 42 ILE HA H 1 3.9714 0.02 A 42 ILE HB H 1 1.7797 0.02 A 42 ILE HD1% H 1 0.6566 0.02 A 42 ILE HG12 H 1 1.5147 0.02 A 42 ILE HG13 H 1 0.8509 0.02 A 42 ILE HG2% H 1 0.8371 0.02 A 42 ILE CA C 13 61.0594 0.05 A 42 ILE CB C 13 35.8450 0.05 A 42 ILE CD1 C 13 12.4189 0.05 A 42 ILE CG1 C 13 25.8316 0.05 A 42 ILE CG2 C 13 16.8000 0.05 A 42 ILE N N 15 120.7425 0.05 A 43 SER H H 1 8.2020 0.02 A 43 SER HA H 1 4.3075 0.02 A 43 SER HB2 H 1 3.9130 0.02 A 43 SER HB3 H 1 3.9130 0.02 A 43 SER CA C 13 57.9918 0.05 A 43 SER CB C 13 60.7276 0.05 A 43 SER N N 15 115.8301 0.05 A 44 SER H H 1 8.1903 0.02 A 44 SER HA H 1 4.3337 0.02 A 44 SER HB2 H 1 3.9750 0.02 A 44 SER HB3 H 1 3.9750 0.02 A 44 SER CA C 13 57.3926 0.05 A 44 SER CB C 13 60.6413 0.05 A 44 SER N N 15 117.3294 0.05 A 45 GLU H H 1 8.2080 0.02 A 45 GLU HA H 1 4.1836 0.02 A 45 GLU HB2 H 1 2.1240 0.02 A 45 GLU HB3 H 1 2.1240 0.02 A 45 GLU HG2 H 1 2.3704 0.02 A 45 GLU HG3 H 1 2.2736 0.02 A 45 GLU CA C 13 55.5387 0.05 A 45 GLU CB C 13 27.0729 0.05 A 45 GLU CG C 13 33.6949 0.05 A 45 GLU N N 15 122.4713 0.05 A 46 LEU H H 1 8.0430 0.02 A 46 LEU HA H 1 4.2457 0.02 A 46 LEU HB2 H 1 1.7120 0.02 A 46 LEU HB3 H 1 1.7120 0.02 A 46 LEU HD1% H 1 0.9050 0.02 A 46 LEU HD2% H 1 0.8392 0.02 A 46 LEU HG H 1 1.7144 0.02 A 46 LEU CA C 13 53.8506 0.05 A 46 LEU CB C 13 39.2495 0.05 A 46 LEU CD1 C 13 21.3589 0.05 A 46 LEU CD2 C 13 15.1575 0.05 A 46 LEU CG C 13 24.0185 0.05 A 46 LEU N N 15 121.2307 0.05 A 47 GLN H H 1 8.1020 0.02 A 47 GLN HA H 1 4.2415 0.02 A 47 GLN HB2 H 1 2.0970 0.02 A 47 GLN HB3 H 1 2.0970 0.02 A 47 GLN HG2 H 1 2.4130 0.02 A 47 GLN HG3 H 1 2.4130 0.02 A 47 GLN CA C 13 54.3504 0.05 A 47 GLN CB C 13 26.2805 0.05 A 47 GLN CG C 13 31.4095 0.05 A 47 GLN N N 15 119.3457 0.05 A 48 GLN H H 1 8.1830 0.02 A 48 GLN HA H 1 4.2800 0.02 A 48 GLN HB2 H 1 2.1544 0.02 A 48 GLN HB3 H 1 2.0539 0.02 A 48 GLN HG2 H 1 2.4220 0.02 A 48 GLN HG3 H 1 2.4220 0.02 A 48 GLN CA C 13 54.1564 0.05 A 48 GLN CB C 13 26.4907 0.05 A 48 GLN CG C 13 31.3425 0.05 A 48 GLN N N 15 119.7422 0.05 A 49 SER H H 1 8.2360 0.02 A 49 SER HA H 1 4.3390 0.02 A 49 SER HB2 H 1 3.9510 0.02 A 49 SER HB3 H 1 3.9510 0.02 A 49 SER CA C 13 56.7763 0.05 A 49 SER CB C 13 61.1429 0.05 A 49 SER N N 15 116.4459 0.05 A 50 GLU H H 1 8.4190 0.02 A 50 GLU HA H 1 4.1960 0.02 A 50 GLU HB2 H 1 2.0180 0.02 A 50 GLU HB3 H 1 2.0180 0.02 A 50 GLU HG2 H 1 2.2810 0.02 A 50 GLU HG3 H 1 2.2810 0.02 A 50 GLU CA C 13 55.0899 0.05 A 50 GLU CB C 13 27.2345 0.05 A 50 GLU CG C 13 33.7199 0.05 A 50 GLU N N 15 122.4690 0.05 A 51 GLN H H 1 8.2680 0.02 A 51 GLN HA H 1 4.2175 0.02 A 51 GLN HB2 H 1 2.0620 0.02 A 51 GLN HB3 H 1 2.0620 0.02 A 51 GLN HG2 H 1 2.4220 0.02 A 51 GLN HG3 H 1 2.4220 0.02 A 51 GLN CA C 13 54.6901 0.05 A 51 GLN CB C 13 26.1376 0.05 A 51 GLN CG C 13 31.3358 0.05 A 51 GLN N N 15 119.6746 0.05 A 52 SER H H 1 8.1190 0.02 A 52 SER HA H 1 4.3539 0.02 A 52 SER HB2 H 1 3.9308 0.02 A 52 SER HB3 H 1 3.9308 0.02 A 52 SER CA C 13 57.1494 0.05 A 52 SER CB C 13 60.8923 0.05 A 52 SER N N 15 115.4757 0.05 A 53 LYS H H 1 8.0160 0.02 A 53 LYS HA H 1 4.2573 0.02 A 53 LYS HB2 H 1 1.8290 0.02 A 53 LYS HB3 H 1 1.8290 0.02 A 53 LYS CA C 13 54.5023 0.05 A 53 LYS CB C 13 30.0701 0.05 A 53 LYS N N 15 122.3818 0.05 A 54 GLN H H 1 8.0652 0.02 A 54 GLN HA H 1 4.2827 0.02 A 54 GLN HB2 H 1 2.9067 0.02 A 54 GLN HB3 H 1 2.8296 0.02 A 54 GLN HG2 H 1 2.3880 0.02 A 54 GLN HG3 H 1 2.3880 0.02 A 54 GLN CA C 13 53.7855 0.05 A 54 GLN CB C 13 28.2363 0.05 A 54 GLN CG C 13 31.3047 0.05 A 54 GLN N N 15 119.8918 0.05 A 55 LYS CA C 13 54.1870 0.05 A 55 LYS CB C 13 29.6656 0.05 A 56 GLN H H 1 8.1610 0.02 A 56 GLN HA H 1 4.2724 0.02 A 56 GLN HB2 H 1 2.2197 0.02 A 56 GLN HB3 H 1 1.9347 0.02 A 56 GLN CA C 13 53.3757 0.05 A 56 GLN CB C 13 26.6447 0.05 A 56 GLN N N 15 120.2940 0.05 A 57 TYR H H 1 8.1850 0.02 A 57 TYR HA H 1 4.2724 0.02 A 57 TYR HB2 H 1 3.0918 0.02 A 57 TYR HB3 H 1 2.9216 0.02 A 57 TYR CA C 13 55.5174 0.05 A 57 TYR CB C 13 36.0977 0.05 A 57 TYR N N 15 119.3436 0.05 A 58 GLY H H 1 8.1960 0.02 A 58 GLY HA2 H 1 3.8820 0.02 A 58 GLY HA3 H 1 3.8820 0.02 A 58 GLY CA C 13 43.0814 0.05 A 58 GLY N N 15 110.1550 0.05 A 59 THR H H 1 8.0600 0.02 A 59 THR CA C 13 59.9320 0.05 A 59 THR CB C 13 67.1610 0.05 A 59 THR N N 15 113.5620 0.05 A 60 THR HA H 1 4.3763 0.02 A 60 THR HB H 1 4.2358 0.02 A 60 THR HG2% H 1 1.1906 0.02 A 60 THR CA C 13 62.7049 0.05 A 60 THR CB C 13 67.0511 0.05 A 60 THR CG2 C 13 25.4443 0.05 A 61 LEU H H 1 8.1960 0.02 A 61 LEU HA H 1 4.2728 0.02 A 61 LEU HB2 H 1 1.6570 0.02 A 61 LEU HB3 H 1 1.5911 0.02 A 61 LEU HD1% H 1 0.8300 0.02 A 61 LEU HG H 1 1.6222 0.02 A 61 LEU CA C 13 52.8426 0.05 A 61 LEU CB C 13 39.4459 0.05 A 61 LEU CD1 C 13 20.9070 0.05 A 61 LEU CG C 13 24.0787 0.05 A 61 LEU N N 15 123.7434 0.05 A 62 GLN H H 1 8.2370 0.02 A 62 GLN HA H 1 4.2481 0.02 A 62 GLN HB2 H 1 2.0130 0.02 A 62 GLN HB3 H 1 2.0130 0.02 A 62 GLN HG2 H 1 2.3526 0.02 A 62 GLN HG3 H 1 2.0772 0.02 A 62 GLN CA C 13 53.8545 0.05 A 62 GLN CB C 13 26.6401 0.05 A 62 GLN CG C 13 34.0293 0.05 A 62 GLN N N 15 120.1698 0.05 A 63 ASN H H 1 8.2770 0.02 A 63 ASN HA H 1 4.5755 0.02 A 63 ASN HB2 H 1 2.7270 0.02 A 63 ASN HB3 H 1 2.5860 0.02 A 63 ASN CA C 13 52.0007 0.05 A 63 ASN CB C 13 38.3542 0.05 A 63 ASN N N 15 120.9428 0.05 A 64 LEU H H 1 8.0600 0.02 A 64 LEU HA H 1 4.2484 0.02 A 64 LEU HB2 H 1 1.6240 0.02 A 64 LEU HB3 H 1 1.6240 0.02 A 64 LEU HD1% H 1 0.9573 0.02 A 64 LEU HG H 1 1.5886 0.02 A 64 LEU CA C 13 53.2632 0.05 A 64 LEU CB C 13 39.5795 0.05 A 64 LEU CD1 C 13 21.3813 0.05 A 64 LEU CD2 C 13 21.3813 0.05 A 64 LEU CG C 13 24.2325 0.05 A 64 LEU N N 15 122.4438 0.05 A 65 ALA H H 1 8.0700 0.02 A 65 ALA HA H 1 4.2486 0.02 A 65 ALA HB% H 1 1.3870 0.02 A 65 ALA CA C 13 50.3965 0.05 A 65 ALA CB C 13 16.2650 0.05 A 65 ALA N N 15 123.5990 0.05 A 66 LYS H H 1 8.0020 0.02 A 66 LYS HA H 1 4.2381 0.02 A 66 LYS HB2 H 1 1.7819 0.02 A 66 LYS HB3 H 1 1.7819 0.02 A 66 LYS HD2 H 1 1.6550 0.02 A 66 LYS HD3 H 1 1.6550 0.02 A 66 LYS HG2 H 1 1.4270 0.02 A 66 LYS HG3 H 1 1.4270 0.02 A 66 LYS CA C 13 53.9138 0.05 A 66 LYS CB C 13 29.9031 0.05 A 66 LYS CD C 13 26.8687 0.05 A 66 LYS N N 15 119.3902 0.05 A 69 ARG HA H 1 4.3438 0.02 A 69 ARG HB2 H 1 2.0321 0.02 A 69 ARG HB3 H 1 1.9051 0.02 A 69 ARG CA C 13 53.6896 0.05 A 69 ARG CB C 13 28.0128 0.05 A 69 ARG N N 15 122.3328 0.05 A 70 ILE H H 1 8.1778 0.02 A 70 ILE HA H 1 4.1582 0.02 A 70 ILE HB H 1 1.8251 0.02 A 70 ILE HD1% H 1 0.8435 0.02 A 70 ILE HG12 H 1 1.4727 0.02 A 70 ILE HG13 H 1 1.1708 0.02 A 70 ILE HG2% H 1 0.8438 0.02 A 70 ILE CA C 13 58.2968 0.05 A 70 ILE CB C 13 35.5282 0.05 A 70 ILE CD1 C 13 14.7213 0.05 A 70 ILE CG1 C 13 24.3510 0.05 A 70 ILE CG2 C 13 20.7174 0.05 A 70 ILE N N 15 122.8034 0.05 A 71 ILE H H 1 8.2190 0.02 A 71 ILE HA H 1 4.1280 0.02 A 71 ILE HB H 1 1.8470 0.02 A 71 ILE HD1% H 1 0.8670 0.02 A 71 ILE HG12 H 1 1.4515 0.02 A 71 ILE HG13 H 1 1.1447 0.02 A 71 ILE HG2% H 1 0.7272 0.02 A 71 ILE CA C 13 58.3742 0.05 A 71 ILE CB C 13 35.8641 0.05 A 71 ILE CD1 C 13 14.7486 0.05 A 71 ILE CG1 C 13 24.5056 0.05 A 71 ILE CG2 C 13 21.6797 0.05 A 71 ILE N N 15 125.8328 0.05 A 72 LYS N N 15 119.9599 0.05 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 THR H A 4 LYS H 1.0 . 3.3 2 2 A 4 LYS H A 5 TYR H 1.0 . 3.3 3 3 A 5 TYR H A 6 GLU H 1.0 . 3.3 4 4 A 6 GLU H A 7 LEU H 1.0 . 2.9 5 5 A 7 LEU H A 8 ASN H 1.0 . 2.9 6 6 A 8 ASN H A 9 ASN H 1.0 . 2.9 7 7 A 9 ASN H A 10 THR H 1.0 . 2.9 8 8 A 10 THR H A 11 LYS H 1.0 . 2.9 9 9 A 11 LYS H A 12 LYS H 1.0 . 2.9 10 10 A 12 LYS H A 13 VAL H 1.0 . 2.9 11 11 A 13 VAL H A 14 ALA H 1.0 . 2.9 12 12 A 14 ALA H A 15 ASN H 1.0 . 2.9 13 13 A 15 ASN H A 16 ALA H 1.0 . 2.9 14 14 A 3 THR H A 5 TYR H 1.0 . 5.0 15 15 A 8 ASN H A 10 THR H 1.0 . 5.0 16 16 A 9 ASN H A 11 LYS H 1.0 . 5.0 17 17 A 12 LYS H A 14 ALA H 1.0 . 5.0 18 18 A 13 VAL H A 15 ASN H 1.0 . 5.0 19 19 A 3 THR H A 2 GLU HA 1.0 . 5.0 20 20 A 4 LYS H A 3 THR HA 1.0 . 5.0 21 21 A 5 TYR H A 4 LYS HA 1.0 . 5.0 22 22 A 6 GLU H A 5 TYR HA 1.0 . 5.0 23 23 A 8 ASN H A 7 LEU HA 1.0 . 5.0 24 24 A 9 ASN H A 8 ASN HA 1.0 . 5.0 25 25 A 10 THR H A 9 ASN HA 1.0 . 5.0 26 26 A 11 LYS H A 10 THR HA 1.0 . 5.0 27 27 A 12 LYS H A 11 LYS HA 1.0 . 5.0 28 28 A 13 VAL H A 12 LYS HA 1.0 . 5.0 29 29 A 14 ALA H A 13 VAL HA 1.0 . 5.0 30 30 A 15 ASN H A 14 ALA HA 1.0 . 5.0 31 31 A 16 ALA H A 15 ASN HA 1.0 . 5.0 32 32 A 16 ALA HA A 17 PHE H 1.0 . 5.0 33 33 A 5 TYR H A 3 THR HA 1.0 . 5.0 34 34 A 8 ASN H A 6 GLU HA 1.0 . 5.0 35 35 A 9 ASN H A 7 LEU HA 1.0 . 5.0 36 36 A 10 THR H A 8 ASN HA 1.0 . 5.0 37 37 A 11 LYS H A 9 ASN HA 1.0 . 5.0 38 38 A 12 LYS H A 10 THR HA 1.0 . 5.0 39 39 A 13 VAL H A 11 LYS HA 1.0 . 5.0 40 40 A 14 ALA H A 12 LYS HA 1.0 . 5.0 41 41 A 15 ASN H A 13 VAL HA 1.0 . 5.0 42 42 A 10 THR H A 7 LEU HA 1.0 . 5.0 43 43 A 11 LYS H A 8 ASN HA 1.0 . 5.0 44 44 A 12 LYS H A 9 ASN HA 1.0 . 5.0 45 45 A 13 VAL H A 10 THR HA 1.0 . 5.0 46 46 A 14 ALA H A 11 LYS HA 1.0 . 5.0 47 47 A 15 ASN H A 12 LYS HA 1.0 . 5.0 48 48 A 16 ALA H A 13 VAL HA 1.0 . 5.0 49 49 A 11 LYS H A 7 LEU HA 1.0 . 5.0 50 50 A 12 LYS H A 8 ASN HA 1.0 . 5.0 51 51 A 13 VAL H A 9 ASN HA 1.0 . 5.0 52 52 A 14 ALA H A 10 THR HA 1.0 . 5.0 53 53 A 15 ASN H A 11 LYS HA 1.0 . 5.0 54 54 A 16 ALA H A 12 LYS HA 1.0 . 5.0 55 55 A 7 LEU HA A 10 THR HB 1.0 . 3.3 56 56 A 8 ASN HA A 11 LYS HB2 1.0 . 3.3 57 56 A 8 ASN HA A 11 LYS HB3 1.0 . 3.3 58 57 A 10 THR HA A 13 VAL HB 1.0 . 3.3 59 58 A 11 LYS HA A 14 ALA HB% 1.0 . 3.3 60 59 A 12 LYS HA A 15 ASN HB2 1.0 . 3.3 61 59 A 12 LYS HA A 15 ASN HB3 1.0 . 3.3 62 60 A 13 VAL HA A 16 ALA HB% 1.0 . 3.3 63 61 A 16 ALA H A 17 PHE H 1.0 . 3.3 64 62 A 17 PHE H A 18 GLY H 1.0 . 3.3 65 63 A 18 GLY H A 19 LEU H 1.0 . 3.3 66 64 A 19 LEU H A 20 ASN H 1.0 . 3.3 67 65 A 20 ASN H A 21 GLU H 1.0 . 3.3 68 66 A 21 GLU H A 22 GLU H 1.0 . 3.3 69 67 A 22 GLU H A 23 ASP H 1.0 . 2.9 70 68 A 23 ASP H A 24 THR H 1.0 . 2.9 71 69 A 24 THR H A 25 ASN H 1.0 . 2.9 72 70 A 25 ASN H A 26 LEU H 1.0 . 2.9 73 71 A 26 LEU H A 27 LEU H 1.0 . 2.9 74 72 A 27 LEU H A 28 ILE H 1.0 . 2.9 75 73 A 28 ILE H A 29 ASN H 1.0 . 2.9 76 74 A 29 ASN H A 30 ALA H 1.0 . 2.9 77 75 A 30 ALA H A 31 VAL H 1.0 . 2.9 78 76 A 31 VAL H A 32 ASP H 1.0 . 2.9 79 77 A 32 ASP H A 33 LEU H 1.0 . 2.9 80 78 A 33 LEU H A 34 ASP H 1.0 . 2.9 81 79 A 34 ASP H A 35 ILE H 1.0 . 2.9 82 80 A 35 ILE H A 36 LYS H 1.0 . 2.9 83 81 A 36 LYS H A 37 ASN H 1.0 . 2.9 84 82 A 37 ASN H A 38 ASN H 1.0 . 2.9 85 83 A 38 ASN H A 39 MET H 1.0 . 2.9 86 84 A 39 MET H A 40 GLN H 1.0 . 2.9 87 85 A 40 GLN H A 41 GLU H 1.0 . 2.9 88 86 A 21 GLU H A 23 ASP H 1.0 . 5.0 89 87 A 22 GLU H A 24 THR H 1.0 . 5.0 90 88 A 23 ASP H A 25 ASN H 1.0 . 5.0 91 89 A 26 LEU H A 28 ILE H 1.0 . 5.0 92 90 A 28 ILE H A 30 ALA H 1.0 . 5.0 93 91 A 30 ALA H A 32 ASP H 1.0 . 5.0 94 92 A 31 VAL H A 33 LEU H 1.0 . 5.0 95 93 A 32 ASP H A 34 ASP H 1.0 . 5.0 96 94 A 33 LEU H A 35 ILE H 1.0 . 5.0 97 95 A 34 ASP H A 36 LYS H 1.0 . 5.0 98 96 A 35 ILE H A 37 ASN H 1.0 . 5.0 99 97 A 22 GLU H A 25 ASN H 1.0 . 5.0 100 98 A 27 LEU H A 30 ALA H 1.0 . 5.0 101 99 A 29 ASN H A 32 ASP H 1.0 . 5.0 102 100 A 22 GLU H A 21 GLU HA 1.0 . 5.0 103 101 A 23 ASP H A 22 GLU HA 1.0 . 5.0 104 102 A 24 THR H A 23 ASP HA 1.0 . 5.0 105 103 A 25 ASN H A 24 THR HA 1.0 . 5.0 106 104 A 26 LEU H A 25 ASN HA 1.0 . 5.0 107 105 A 27 LEU H A 26 LEU HA 1.0 . 5.0 108 106 A 28 ILE H A 27 LEU HA 1.0 . 5.0 109 107 A 29 ASN H A 28 ILE HA 1.0 . 5.0 110 108 A 30 ALA H A 29 ASN HA 1.0 . 5.0 111 109 A 31 VAL H A 30 ALA HA 1.0 . 5.0 112 110 A 32 ASP H A 31 VAL HA 1.0 . 5.0 113 111 A 33 LEU H A 32 ASP HA 1.0 . 5.0 114 112 A 34 ASP H A 33 LEU HA 1.0 . 5.0 115 113 A 35 ILE H A 34 ASP HA 1.0 . 5.0 116 114 A 36 LYS H A 35 ILE HA 1.0 . 5.0 117 115 A 37 ASN H A 36 LYS HA 1.0 . 5.0 118 116 A 38 ASN H A 37 ASN HA 1.0 . 5.0 119 117 A 39 MET H A 38 ASN HA 1.0 . 5.0 120 118 A 40 GLN H A 39 MET HA 1.0 . 5.0 121 119 A 23 ASP H A 21 GLU HA 1.0 . 5.0 122 120 A 24 THR H A 22 GLU HA 1.0 . 5.0 123 121 A 25 ASN H A 23 ASP HA 1.0 . 5.0 124 122 A 26 LEU H A 24 THR HA 1.0 . 5.0 125 123 A 27 LEU H A 25 ASN HA 1.0 . 5.0 126 124 A 28 ILE H A 26 LEU HA 1.0 . 5.0 127 125 A 29 ASN H A 27 LEU HA 1.0 . 5.0 128 126 A 30 ALA H A 28 ILE HA 1.0 . 5.0 129 127 A 31 VAL H A 29 ASN HA 1.0 . 5.0 130 128 A 32 ASP H A 30 ALA HA 1.0 . 5.0 131 129 A 33 LEU H A 31 VAL HA 1.0 . 5.0 132 130 A 34 ASP H A 32 ASP HA 1.0 . 5.0 133 131 A 35 ILE H A 33 LEU HA 1.0 . 5.0 134 132 A 37 ASN H A 35 ILE HA 1.0 . 5.0 135 133 A 38 ASN H A 36 LYS HA 1.0 . 5.0 136 134 A 39 MET H A 37 ASN HA 1.0 . 5.0 137 135 A 24 THR H A 21 GLU HA 1.0 . 5.0 138 136 A 25 ASN H A 22 GLU HA 1.0 . 5.0 139 137 A 26 LEU H A 23 ASP HA 1.0 . 5.0 140 138 A 27 LEU H A 24 THR HA 1.0 . 5.0 141 139 A 28 ILE H A 25 ASN HA 1.0 . 5.0 142 140 A 29 ASN H A 26 LEU HA 1.0 . 5.0 143 141 A 30 ALA H A 27 LEU HA 1.0 . 5.0 144 142 A 31 VAL H A 28 ILE HA 1.0 . 5.0 145 143 A 32 ASP H A 29 ASN HA 1.0 . 5.0 146 144 A 33 LEU H A 30 ALA HA 1.0 . 5.0 147 145 A 34 ASP H A 31 VAL HA 1.0 . 5.0 148 146 A 35 ILE H A 32 ASP HA 1.0 . 5.0 149 147 A 37 ASN H A 34 ASP HA 1.0 . 5.0 150 148 A 38 ASN H A 35 ILE HA 1.0 . 5.0 151 149 A 39 MET H A 36 LYS HA 1.0 . 5.0 152 150 A 25 ASN H A 21 GLU HA 1.0 . 5.0 153 151 A 26 LEU H A 22 GLU HA 1.0 . 5.0 154 152 A 27 LEU H A 23 ASP HA 1.0 . 5.0 155 153 A 28 ILE H A 24 THR HA 1.0 . 5.0 156 154 A 31 VAL H A 27 LEU HA 1.0 . 5.0 157 155 A 32 ASP H A 28 ILE HA 1.0 . 5.0 158 156 A 33 LEU H A 29 ASN HA 1.0 . 5.0 159 157 A 34 ASP H A 30 ALA HA 1.0 . 5.0 160 158 A 35 ILE H A 31 VAL HA 1.0 . 5.0 161 159 A 37 ASN H A 33 LEU HA 1.0 . 5.0 162 160 A 38 ASN H A 34 ASP HA 1.0 . 5.0 163 161 A 39 MET H A 35 ILE HA 1.0 . 5.0 164 162 A 38 ASN HA A 42 ILE H 1.0 . 5.0 165 163 A 21 GLU HA A 24 THR HB 1.0 . 3.3 166 164 A 22 GLU HA A 25 ASN HB2 1.0 . 3.3 167 164 A 22 GLU HA A 25 ASN HB3 1.0 . 3.3 168 165 A 23 ASP HA A 26 LEU HB2 1.0 . 3.3 169 166 A 23 ASP HA A 26 LEU HB3 1.0 . 3.3 170 167 A 24 THR HA A 27 LEU HB3 1.0 . 3.3 171 168 A 25 ASN HA A 28 ILE HB 1.0 . 3.3 172 169 A 26 LEU HA A 29 ASN HB2 1.0 . 3.3 173 169 A 26 LEU HA A 29 ASN HB3 1.0 . 3.3 174 170 A 27 LEU HA A 30 ALA HB% 1.0 . 3.3 175 171 A 28 ILE HA A 31 VAL HB 1.0 . 3.3 176 172 A 29 ASN HA A 32 ASP HB3 1.0 . 3.3 177 172 A 29 ASN HA A 32 ASP HB2 1.0 . 3.3 178 173 A 30 ALA HA A 33 LEU HB2 1.0 . 3.3 179 173 A 30 ALA HA A 33 LEU HB3 1.0 . 3.3 180 174 A 31 VAL HA A 34 ASP HB3 1.0 . 3.3 181 174 A 31 VAL HA A 34 ASP HB2 1.0 . 3.3 182 175 A 32 ASP HA A 35 ILE HB 1.0 . 3.3 183 176 A 33 LEU HA A 36 LYS HB2 1.0 . 3.3 184 176 A 33 LEU HA A 36 LYS HB3 1.0 . 3.3 185 177 A 34 ASP HA A 37 ASN HB2 1.0 . 3.3 186 177 A 34 ASP HA A 37 ASN HB3 1.0 . 3.3 187 178 A 35 ILE HA A 38 ASN HBy 1.0 . 3.3 188 178 A 35 ILE HA A 38 ASN HBx 1.0 . 3.3 189 179 A 36 LYS HA A 39 MET HB2 1.0 . 3.3 190 180 A 41 GLU H A 42 ILE H 1.0 . 3.3 191 181 A 45 GLU H A 46 LEU H 1.0 . 3.3 192 182 A 54 GLN H A 55 LYS H 1.0 . 3.3 193 183 A 63 ASN H A 64 LEU H 1.0 . 3.3 194 184 A 64 LEU H A 65 ALA H 1.0 . 3.3 195 185 A 70 ILE H A 71 ILE H 1.0 . 3.3 196 186 A 28 ILE HG2% A 4 LYS HG2 1.0 . 5.0 197 186 A 4 LYS HG3 A 28 ILE HG2% 1.0 . 5.0 198 187 A 28 ILE HD1% A 4 LYS HD2 1.0 . 5.0 199 187 A 4 LYS HD3 A 28 ILE HD1% 1.0 . 5.0 200 188 A 4 LYS HB2 A 32 ASP HB3 1.0 . 5.0 201 189 A 4 LYS HB3 A 32 ASP HB3 1.0 . 5.0 202 190 A 5 TYR HD% A 35 ILE HG2% 1.0 . 5.0 203 191 A 5 TYR HD% A 35 ILE HD1% 1.0 . 5.0 204 192 A 5 TYR HE% A 7 LEU HD1% 1.0 . 5.0 205 193 A 32 ASP HB2 A 5 TYR HE% 1.0 . 5.0 206 194 A 35 ILE HG2% A 5 TYR HE% 1.0 . 5.0 207 195 A 35 ILE HD1% A 5 TYR HE% 1.0 . 5.0 208 196 A 11 LYS H A 28 ILE HG2% 1.0 . 5.0 209 197 A 11 LYS H A 28 ILE HD1% 1.0 . 5.0 210 198 A 14 ALA HB% A 24 THR HG2% 1.0 . 5.0 211 199 A 14 ALA HB% A 27 LEU HD1% 1.0 . 5.0 212 200 A 14 ALA HB% A 27 LEU HD2% 1.0 . 5.0 213 201 A 15 ASN HA A 24 THR HG2% 1.0 . 5.0 214 202 A 21 GLU HA A 15 ASN HB2 1.0 . 5.0 215 202 A 15 ASN HB3 A 21 GLU HA 1.0 . 5.0 216 203 A 28 ILE HG13 A 32 ASP HB3 1.0 . 5.0 217 203 A 32 ASP HB2 A 28 ILE HG12 1.0 . 5.0 218 203 A 32 ASP HB2 A 28 ILE HG13 1.0 . 5.0 219 203 A 28 ILE HG12 A 32 ASP HB3 1.0 . 5.0 220 204 A 28 ILE HD1% A 32 ASP HB3 1.0 . 5.0 221 204 A 32 ASP HB2 A 28 ILE HD1% 1.0 . 5.0 222 205 B 175 THR H B 176 LYS H 1.0 . 3.3 223 206 B 176 LYS H B 177 TYR H 1.0 . 3.3 224 207 B 177 TYR H B 178 GLU H 1.0 . 3.3 225 208 B 178 GLU H B 179 LEU H 1.0 . 2.9 226 209 B 179 LEU H B 180 ASN H 1.0 . 2.9 227 210 B 180 ASN H B 181 ASN H 1.0 . 2.9 228 211 B 181 ASN H B 182 THR H 1.0 . 2.9 229 212 B 182 THR H B 183 LYS H 1.0 . 2.9 230 213 B 183 LYS H B 184 LYS H 1.0 . 2.9 231 214 B 184 LYS H B 185 VAL H 1.0 . 2.9 232 215 B 185 VAL H B 186 ALA H 1.0 . 2.9 233 216 B 186 ALA H B 187 ASN H 1.0 . 2.9 234 217 B 187 ASN H B 188 ALA H 1.0 . 2.9 235 218 B 175 THR H B 177 TYR H 1.0 . 5.0 236 219 B 180 ASN H B 182 THR H 1.0 . 5.0 237 220 B 181 ASN H B 183 LYS H 1.0 . 5.0 238 221 B 184 LYS H B 186 ALA H 1.0 . 5.0 239 222 B 185 VAL H B 187 ASN H 1.0 . 5.0 240 223 B 175 THR H B 174 GLU HA 1.0 . 5.0 241 224 B 176 LYS H B 175 THR HA 1.0 . 5.0 242 225 B 177 TYR H B 176 LYS HA 1.0 . 5.0 243 226 B 178 GLU H B 177 TYR HA 1.0 . 5.0 244 227 B 180 ASN H B 179 LEU HA 1.0 . 5.0 245 228 B 181 ASN H B 180 ASN HA 1.0 . 5.0 246 229 B 182 THR H B 181 ASN HA 1.0 . 5.0 247 230 B 183 LYS H B 182 THR HA 1.0 . 5.0 248 231 B 184 LYS H B 183 LYS HA 1.0 . 5.0 249 232 B 185 VAL H B 184 LYS HA 1.0 . 5.0 250 233 B 186 ALA H B 185 VAL HA 1.0 . 5.0 251 234 B 187 ASN H B 186 ALA HA 1.0 . 5.0 252 235 B 188 ALA H B 187 ASN HA 1.0 . 5.0 253 236 B 177 TYR H B 175 THR HA 1.0 . 5.0 254 237 B 180 ASN H B 178 GLU HA 1.0 . 5.0 255 238 B 181 ASN H B 179 LEU HA 1.0 . 5.0 256 239 B 182 THR H B 180 ASN HA 1.0 . 5.0 257 240 B 183 LYS H B 181 ASN HA 1.0 . 5.0 258 241 B 184 LYS H B 182 THR HA 1.0 . 5.0 259 242 B 185 VAL H B 183 LYS HA 1.0 . 5.0 260 243 B 186 ALA H B 184 LYS HA 1.0 . 5.0 261 244 B 187 ASN H B 185 VAL HA 1.0 . 5.0 262 245 B 182 THR H B 179 LEU HA 1.0 . 5.0 263 246 B 183 LYS H B 180 ASN HA 1.0 . 5.0 264 247 B 184 LYS H B 181 ASN HA 1.0 . 5.0 265 248 B 185 VAL H B 182 THR HA 1.0 . 5.0 266 249 B 186 ALA H B 183 LYS HA 1.0 . 5.0 267 250 B 187 ASN H B 184 LYS HA 1.0 . 5.0 268 251 B 188 ALA H B 185 VAL HA 1.0 . 5.0 269 252 B 183 LYS H B 179 LEU HA 1.0 . 5.0 270 253 B 184 LYS H B 180 ASN HA 1.0 . 5.0 271 254 B 185 VAL H B 181 ASN HA 1.0 . 5.0 272 255 B 186 ALA H B 182 THR HA 1.0 . 5.0 273 256 B 187 ASN H B 183 LYS HA 1.0 . 5.0 274 257 B 188 ALA H B 184 LYS HA 1.0 . 5.0 275 258 B 179 LEU HA B 182 THR HB 1.0 . 3.3 276 259 B 180 ASN HA B 183 LYS HBx 1.0 . 3.3 277 259 B 180 ASN HA B 183 LYS HBy 1.0 . 3.3 278 260 B 182 THR HA B 185 VAL HB 1.0 . 3.3 279 261 B 183 LYS HA B 186 ALA HB1 1.0 . 3.3 280 262 B 184 LYS HA B 187 ASN HBx 1.0 . 3.3 281 262 B 184 LYS HA B 187 ASN HBy 1.0 . 3.3 282 263 B 185 VAL HA B 188 ALA HB1 1.0 . 3.3 283 264 B 188 ALA H B 189 PHE H 1.0 . 3.3 284 265 B 189 PHE H B 190 GLY H 1.0 . 3.3 285 266 B 190 GLY H B 191 LEU H 1.0 . 3.3 286 267 B 191 LEU H B 192 ASN H 1.0 . 3.3 287 268 B 192 ASN H B 193 GLU H 1.0 . 3.3 288 269 B 193 GLU H B 194 GLU H 1.0 . 3.3 289 270 B 193 GLU H B 194 GLU H 1.0 . 2.9 290 271 B 194 GLU H B 195 ASP H 1.0 . 2.9 291 272 B 195 ASP H B 196 THR H 1.0 . 2.9 292 273 B 196 THR H B 197 ASN H 1.0 . 2.9 293 274 B 197 ASN H B 198 LEU H 1.0 . 2.9 294 275 B 198 LEU H B 199 LEU H 1.0 . 2.9 295 276 B 199 LEU H B 200 ILE H 1.0 . 2.9 296 277 B 200 ILE H B 201 ASN H 1.0 . 2.9 297 278 B 201 ASN H B 202 ALA H 1.0 . 2.9 298 279 B 202 ALA H B 203 VAL H 1.0 . 2.9 299 280 B 203 VAL H B 204 ASP H 1.0 . 2.9 300 281 B 204 ASP H B 205 LEU H 1.0 . 2.9 301 282 B 205 LEU H B 206 ASP H 1.0 . 2.9 302 283 B 206 ASP H B 207 ILE H 1.0 . 2.9 303 284 B 207 ILE H B 208 LYS H 1.0 . 2.9 304 285 B 208 LYS H B 209 ASN H 1.0 . 2.9 305 286 B 209 ASN H B 210 ASN H 1.0 . 2.9 306 287 B 210 ASN H B 211 MET H 1.0 . 2.9 307 288 B 211 MET H B 212 GLN H 1.0 . 2.9 308 289 B 212 GLN H B 213 GLU H 1.0 . 2.9 309 290 B 193 GLU H B 195 ASP H 1.0 . 5.0 310 291 B 194 GLU H B 196 THR H 1.0 . 5.0 311 292 B 195 ASP H B 197 ASN H 1.0 . 5.0 312 293 B 198 LEU H B 200 ILE H 1.0 . 5.0 313 294 B 200 ILE H B 202 ALA H 1.0 . 5.0 314 295 B 202 ALA H B 204 ASP H 1.0 . 5.0 315 296 B 203 VAL H B 205 LEU H 1.0 . 5.0 316 297 B 204 ASP H B 206 ASP H 1.0 . 5.0 317 298 B 205 LEU H B 207 ILE H 1.0 . 5.0 318 299 B 206 ASP H B 208 LYS H 1.0 . 5.0 319 300 B 207 ILE H B 209 ASN H 1.0 . 5.0 320 301 B 194 GLU H B 197 ASN H 1.0 . 5.0 321 302 B 199 LEU H B 202 ALA H 1.0 . 5.0 322 303 B 201 ASN H B 204 ASP H 1.0 . 5.0 323 304 B 194 GLU H B 193 GLU HA 1.0 . 5.0 324 305 B 195 ASP H B 194 GLU HA 1.0 . 5.0 325 306 B 196 THR H B 195 ASP HA 1.0 . 5.0 326 307 B 197 ASN H B 196 THR HA 1.0 . 5.0 327 308 B 198 LEU H B 197 ASN HA 1.0 . 5.0 328 309 B 199 LEU H B 198 LEU HA 1.0 . 5.0 329 310 B 200 ILE H B 199 LEU HA 1.0 . 5.0 330 311 B 201 ASN H B 200 ILE HA 1.0 . 5.0 331 312 B 202 ALA H B 201 ASN HA 1.0 . 5.0 332 313 B 203 VAL H B 202 ALA HA 1.0 . 5.0 333 314 B 204 ASP H B 203 VAL HA 1.0 . 5.0 334 315 B 205 LEU H B 204 ASP HA 1.0 . 5.0 335 316 B 206 ASP H B 205 LEU HA 1.0 . 5.0 336 317 B 207 ILE H B 206 ASP HA 1.0 . 5.0 337 318 B 208 LYS H B 207 ILE HA 1.0 . 5.0 338 319 B 209 ASN H B 208 LYS HA 1.0 . 5.0 339 320 B 210 ASN H B 209 ASN HA 1.0 . 5.0 340 321 B 211 MET H B 210 ASN HA 1.0 . 5.0 341 322 B 195 ASP H B 193 GLU HA 1.0 . 5.0 342 323 B 196 THR H B 194 GLU HA 1.0 . 5.0 343 324 B 197 ASN H B 195 ASP HA 1.0 . 5.0 344 325 B 198 LEU H B 196 THR HA 1.0 . 5.0 345 326 B 199 LEU H B 197 ASN HA 1.0 . 5.0 346 327 B 200 ILE H B 198 LEU HA 1.0 . 5.0 347 328 B 201 ASN H B 199 LEU HA 1.0 . 5.0 348 329 B 202 ALA H B 200 ILE HA 1.0 . 5.0 349 330 B 203 VAL H B 201 ASN HA 1.0 . 5.0 350 331 B 204 ASP H B 202 ALA HA 1.0 . 5.0 351 332 B 205 LEU H B 203 VAL HA 1.0 . 5.0 352 333 B 206 ASP H B 204 ASP HA 1.0 . 5.0 353 334 B 207 ILE H B 205 LEU HA 1.0 . 5.0 354 335 B 209 ASN H B 207 ILE HA 1.0 . 5.0 355 336 B 210 ASN H B 208 LYS HA 1.0 . 5.0 356 337 B 211 MET H B 209 ASN HA 1.0 . 5.0 357 338 B 196 THR H B 193 GLU HA 1.0 . 5.0 358 339 B 197 ASN H B 194 GLU HA 1.0 . 5.0 359 340 B 198 LEU H B 195 ASP HA 1.0 . 5.0 360 341 B 199 LEU H B 196 THR HA 1.0 . 5.0 361 342 B 200 ILE H B 197 ASN HA 1.0 . 5.0 362 343 B 201 ASN H B 198 LEU HA 1.0 . 5.0 363 344 B 202 ALA H B 199 LEU HA 1.0 . 5.0 364 345 B 203 VAL H B 200 ILE HA 1.0 . 5.0 365 346 B 204 ASP H B 201 ASN HA 1.0 . 5.0 366 347 B 205 LEU H B 202 ALA HA 1.0 . 5.0 367 348 B 206 ASP H B 203 VAL HA 1.0 . 5.0 368 349 B 207 ILE H B 204 ASP HA 1.0 . 5.0 369 350 B 209 ASN H B 206 ASP HA 1.0 . 5.0 370 351 B 210 ASN H B 207 ILE HA 1.0 . 5.0 371 352 B 211 MET H B 208 LYS HA 1.0 . 5.0 372 353 B 197 ASN H B 193 GLU HA 1.0 . 5.0 373 354 B 198 LEU H B 194 GLU HA 1.0 . 5.0 374 355 B 199 LEU H B 195 ASP HA 1.0 . 5.0 375 356 B 200 ILE H B 196 THR HA 1.0 . 5.0 376 357 B 203 VAL H B 199 LEU HA 1.0 . 5.0 377 358 B 204 ASP H B 200 ILE HA 1.0 . 5.0 378 359 B 205 LEU H B 201 ASN HA 1.0 . 5.0 379 360 B 206 ASP H B 202 ALA HA 1.0 . 5.0 380 361 B 207 ILE H B 203 VAL HA 1.0 . 5.0 381 362 B 209 ASN H B 205 LEU HA 1.0 . 5.0 382 363 B 210 ASN H B 206 ASP HA 1.0 . 5.0 383 364 B 211 MET H B 207 ILE HA 1.0 . 5.0 384 365 B 193 GLU HA B 196 THR HB 1.0 . 3.3 385 366 B 194 GLU HA B 197 ASN HBx 1.0 . 3.3 386 366 B 194 GLU HA B 197 ASN HBy 1.0 . 3.3 387 367 B 195 ASP HA B 198 LEU HBx 1.0 . 3.3 388 368 B 195 ASP HA B 198 LEU HBy 1.0 . 3.3 389 369 B 196 THR HA B 199 LEU HBy 1.0 . 3.3 390 370 B 197 ASN HA B 200 ILE HB 1.0 . 3.3 391 371 B 198 LEU HA B 201 ASN HBx 1.0 . 3.3 392 371 B 198 LEU HA B 201 ASN HBy 1.0 . 3.3 393 372 B 199 LEU HA B 202 ALA HB1 1.0 . 3.3 394 373 B 200 ILE HA B 203 VAL HB 1.0 . 3.3 395 374 B 201 ASN HA B 204 ASP HBy 1.0 . 3.3 396 374 B 201 ASN HA B 204 ASP HBx 1.0 . 3.3 397 375 B 202 ALA HA B 205 LEU HBx 1.0 . 3.3 398 375 B 202 ALA HA B 205 LEU HBy 1.0 . 3.3 399 376 B 203 VAL HA B 206 ASP HBy 1.0 . 3.3 400 376 B 203 VAL HA B 206 ASP HBx 1.0 . 3.3 401 377 B 204 ASP HA B 207 ILE HB 1.0 . 3.3 402 378 B 205 LEU HA B 208 LYS HBx 1.0 . 3.3 403 378 B 205 LEU HA B 208 LYS HBy 1.0 . 3.3 404 379 B 206 ASP HA B 209 ASN HBx 1.0 . 3.3 405 379 B 206 ASP HA B 209 ASN HBy 1.0 . 3.3 406 380 B 207 ILE HA B 210 ASN HBx 1.0 . 3.3 407 380 B 207 ILE HA B 210 ASN HBy 1.0 . 3.3 408 381 B 208 LYS HA B 211 MET HBx 1.0 . 3.3 409 382 B 213 GLU H B 214 ILE H 1.0 . 3.3 410 383 B 217 GLU H B 218 LEU H 1.0 . 3.3 411 384 B 226 GLN H B 227 LYS H 1.0 . 3.3 412 385 B 235 ASN H B 236 LEU H 1.0 . 3.3 413 386 B 236 LEU H B 237 ALA H 1.0 . 3.3 414 387 B 242 ILE H B 243 ILE H 1.0 . 3.3 415 388 B 200 ILE HG21 B 176 LYS HGx 1.0 . 5.0 416 388 B 176 LYS HGy B 200 ILE HG21 1.0 . 5.0 417 389 B 200 ILE HD11 B 176 LYS HDx 1.0 . 5.0 418 389 B 176 LYS HDy B 200 ILE HD11 1.0 . 5.0 419 390 B 176 LYS HBx B 204 ASP HBy 1.0 . 5.0 420 391 B 176 LYS HBy B 204 ASP HBy 1.0 . 5.0 421 392 B 177 TYR HD% B 207 ILE HG21 1.0 . 5.0 422 393 B 177 TYR HD% B 207 ILE HD11 1.0 . 5.0 423 394 B 177 TYR HE% B 179 LEU HD11 1.0 . 5.0 424 395 B 204 ASP HBx B 177 TYR HE% 1.0 . 5.0 425 396 B 207 ILE HG21 B 177 TYR HE% 1.0 . 5.0 426 397 B 207 ILE HD11 B 177 TYR HE% 1.0 . 5.0 427 398 B 183 LYS H B 200 ILE HG21 1.0 . 5.0 428 399 B 183 LYS H B 200 ILE HD11 1.0 . 5.0 429 400 B 186 ALA HB1 B 196 THR HG21 1.0 . 5.0 430 401 B 186 ALA HB1 B 199 LEU HD11 1.0 . 5.0 431 402 B 186 ALA HB1 B 199 LEU HD21 1.0 . 5.0 432 403 B 187 ASN HA B 196 THR HG21 1.0 . 5.0 433 404 B 193 GLU HA B 187 ASN HBx 1.0 . 5.0 434 404 B 187 ASN HBy B 193 GLU HA 1.0 . 5.0 435 405 B 200 ILE HG1x B 204 ASP HBy 1.0 . 5.0 436 405 B 200 ILE HG1y B 204 ASP HBy 1.0 . 5.0 437 405 B 204 ASP HBx B 200 ILE HG1x 1.0 . 5.0 438 405 B 204 ASP HBx B 200 ILE HG1y 1.0 . 5.0 439 406 B 200 ILE HD11 B 204 ASP HBy 1.0 . 5.0 440 406 B 204 ASP HBx B 200 ILE HD11 1.0 . 5.0 441 407 A 5 TYR HD% B 210 ASN HBx 1.0 . 5.0 442 407 A 5 TYR HD% B 210 ASN HBy 1.0 . 5.0 443 408 A 5 TYR HD% B 210 ASN H 1.0 . 5.0 444 409 A 5 TYR HE% B 214 ILE HA 1.0 . 5.0 445 410 A 5 TYR HE% B 214 ILE HG21 1.0 . 5.0 446 411 A 5 TYR HE% B 214 ILE HD11 1.0 . 5.0 447 412 A 6 GLU H B 210 ASN HD2x 1.0 . 5.0 448 413 A 6 GLU H B 210 ASN HD2y 1.0 . 5.0 449 414 B 202 ALA HB1 A 9 ASN HB2 1.0 . 5.0 450 415 B 202 ALA HB1 A 9 ASN HB3 1.0 . 5.0 451 416 A 10 THR HA B 202 ALA HB1 1.0 . 3.3 452 417 A 13 VAL HGx% B 199 LEU HBx 1.0 . 5.0 453 418 B 199 LEU HBy A 13 VAL HGx% 1.0 . 5.0 454 419 B 199 LEU HD11 A 13 VAL HGx% 1.0 . 5.0 455 420 B 199 LEU HD21 A 13 VAL HGx% 1.0 . 5.0 456 421 B 202 ALA HB1 A 13 VAL HGy% 1.0 . 3.3 457 422 B 202 ALA HB1 A 13 VAL HGx% 1.0 . 5.0 458 423 B 186 ALA HA A 17 PHE HD% 1.0 . 5.0 459 424 A 17 PHE HD% B 189 PHE HE% 1.0 . 3.3 460 425 A 17 PHE HE% B 189 PHE HD% 1.0 . 3.3 461 426 A 17 PHE HD% B 191 LEU HD11 1.0 . 3.3 462 427 A 17 PHE HD% B 191 LEU HD21 1.0 . 5.0 463 428 A 17 PHE HE% B 191 LEU HD11 1.0 . 3.3 464 429 A 17 PHE HE% B 195 ASP HBy 1.0 . 5.0 465 430 B 195 ASP HA A 17 PHE HZ 1.0 . 5.0 466 431 B 195 ASP HBy A 17 PHE HZ 1.0 . 5.0 467 432 A 17 PHE HZ B 195 ASP HBx 1.0 . 5.0 468 433 A 31 VAL HB B 179 LEU HD11 1.0 . 5.0 469 434 A 31 VAL H B 182 THR HG1 1.0 . 5.0 470 435 A 31 VAL H B 182 THR HG21 1.0 . 5.0 471 436 A 32 ASP HA B 207 ILE HB 1.0 . 5.0 472 437 A 32 ASP HA B 207 ILE HG21 1.0 . 5.0 473 438 A 32 ASP HA B 207 ILE HD11 1.0 . 3.3 474 439 A 34 ASP HA B 179 LEU HD21 1.0 . 5.0 475 440 A 34 ASP HB2 B 179 LEU HD11 1.0 . 5.0 476 441 A 34 ASP HB2 B 179 LEU HD21 1.0 . 5.0 477 442 B 179 LEU HD11 A 34 ASP HB3 1.0 . 5.0 478 443 B 179 LEU HD21 A 34 ASP HB3 1.0 . 5.0 479 444 B 182 THR HG21 A 34 ASP HB3 1.0 . 5.0 480 445 A 42 ILE HD1% B 211 MET HA 1.0 . 5.0 481 446 B 177 TYR HD% A 38 ASN HBy 1.0 . 5.0 482 446 A 38 ASN HBx B 177 TYR HD% 1.0 . 5.0 483 447 A 38 ASN H B 177 TYR HD% 1.0 . 5.0 484 448 B 177 TYR HE% A 42 ILE HA 1.0 . 5.0 485 449 B 177 TYR HE% A 42 ILE HG2% 1.0 . 5.0 486 450 B 177 TYR HE% A 42 ILE HD1% 1.0 . 5.0 487 451 B 178 GLU H A 38 ASN HD2x 1.0 . 5.0 488 452 B 178 GLU H A 38 ASN HD2y 1.0 . 5.0 489 453 A 30 ALA HB% B 181 ASN HBx 1.0 . 5.0 490 454 A 30 ALA HB% B 181 ASN HBy 1.0 . 5.0 491 455 A 30 ALA HB% B 182 THR HA 1.0 . 3.3 492 456 B 185 VAL HG11 A 27 LEU HB2 1.0 . 5.0 493 457 A 27 LEU HB3 B 185 VAL HG11 1.0 . 5.0 494 458 A 27 LEU HD1% B 185 VAL HG11 1.0 . 5.0 495 459 A 27 LEU HD2% B 185 VAL HG11 1.0 . 5.0 496 460 A 30 ALA HB% B 185 VAL HG21 1.0 . 3.3 497 461 A 30 ALA HB% B 185 VAL HG11 1.0 . 5.0 498 462 A 14 ALA HA B 189 PHE HD% 1.0 . 5.0 499 463 A 17 PHE HE% B 189 PHE HD% 1.0 . 3.3 500 464 A 17 PHE HD% B 189 PHE HE% 1.0 . 3.3 501 465 B 189 PHE HD% A 19 LEU HD1% 1.0 . 3.3 502 466 B 189 PHE HD% A 19 LEU HD2% 1.0 . 5.0 503 467 B 189 PHE HE% A 19 LEU HD1% 1.0 . 3.3 504 468 B 189 PHE HE% A 23 ASP HBx 1.0 . 5.0 505 469 A 23 ASP HA B 189 PHE HZ 1.0 . 5.0 506 470 A 23 ASP HBx B 189 PHE HZ 1.0 . 5.0 507 471 B 189 PHE HZ A 23 ASP HBy 1.0 . 5.0 508 472 A 7 LEU HD1% B 203 VAL HB 1.0 . 5.0 509 473 B 203 VAL H A 10 THR HG1 1.0 . 5.0 510 474 B 203 VAL H A 10 THR HG21 1.0 . 5.0 511 475 A 35 ILE HB B 204 ASP HA 1.0 . 5.0 512 476 A 35 ILE HG2% B 204 ASP HA 1.0 . 5.0 513 477 A 35 ILE HD1% B 204 ASP HA 1.0 . 3.3 514 478 B 206 ASP HA A 7 LEU HD21 1.0 . 5.0 515 479 A 7 LEU HD1% B 206 ASP HBx 1.0 . 5.0 516 480 B 206 ASP HBx A 7 LEU HD21 1.0 . 5.0 517 481 A 7 LEU HD1% B 206 ASP HBy 1.0 . 5.0 518 482 A 7 LEU HD21 B 206 ASP HBy 1.0 . 5.0 519 483 A 10 THR HG21 B 206 ASP HBy 1.0 . 5.0 520 484 A 39 MET HA B 214 ILE HD11 1.0 . 5.0 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 LEU C A 8 ASN N A 8 ASN CA A 8 ASN C 1.0 -66.50 -54.76 PHI 2 2 A 8 ASN N A 8 ASN CA A 8 ASN C A 9 ASN N 1.0 -50.85 -32.17 PSI 3 3 A 8 ASN C A 9 ASN N A 9 ASN CA A 9 ASN C 1.0 -70.13 -61.19 PHI 4 4 A 9 ASN N A 9 ASN CA A 9 ASN C A 10 THR N 1.0 -46.10 -33.34 PSI 5 5 A 9 ASN C A 10 THR N A 10 THR CA A 10 THR C 1.0 -70.79 -59.59 PHI 6 6 A 10 THR N A 10 THR CA A 10 THR C A 11 LYS N 1.0 -47.25 -33.93 PSI 7 7 A 10 THR C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -65.02 -55.70 PHI 8 8 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 LYS N 1.0 -47.22 -36.24 PSI 9 9 A 11 LYS C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -74.02 -60.16 PHI 10 10 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 VAL N 1.0 -46.25 -31.51 PSI 11 11 A 12 LYS C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -67.91 -54.75 PHI 12 12 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 ALA N 1.0 -46.97 -38.23 PSI 13 13 A 13 VAL C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -91.30 -71.50 PHI 14 14 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 ASN N 1.0 -38.00 -6.58 PSI 15 15 A 21 GLU C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -70.99 -60.31 PHI 16 16 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 ASP N 1.0 -43.80 -33.14 PSI 17 17 A 22 GLU C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 -69.32 -59.78 PHI 18 18 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 THR N 1.0 -42.72 -31.16 PSI 19 19 A 23 ASP C A 24 THR N A 24 THR CA A 24 THR C 1.0 -69.32 -57.20 PHI 20 20 A 24 THR N A 24 THR CA A 24 THR C A 25 ASN N 1.0 -48.23 -36.55 PSI 21 21 A 24 THR C A 25 ASN N A 25 ASN CA A 25 ASN C 1.0 -68.26 -59.62 PHI 22 22 A 25 ASN N A 25 ASN CA A 25 ASN C A 26 LEU N 1.0 -50.49 -37.75 PSI 23 23 A 25 ASN C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -69.34 -60.48 PHI 24 24 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 LEU N 1.0 -44.68 -38.28 PSI 25 25 A 26 LEU C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -70.09 -62.49 PHI 26 26 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 ILE N 1.0 -48.55 -41.03 PSI 27 27 A 27 LEU C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -67.18 -57.78 PHI 28 28 A 28 ILE N A 28 ILE CA A 28 ILE C A 29 ASN N 1.0 -50.02 -30.64 PSI 29 29 A 28 ILE C A 29 ASN N A 29 ASN CA A 29 ASN C 1.0 -66.76 -59.08 PHI 30 30 A 29 ASN N A 29 ASN CA A 29 ASN C A 30 ALA N 1.0 -44.31 -36.99 PSI 31 31 A 29 ASN C A 30 ALA N A 30 ALA CA A 30 ALA C 1.0 -73.41 -59.61 PHI 32 32 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 VAL N 1.0 -46.57 -36.77 PSI 33 33 A 30 ALA C A 31 VAL N A 31 VAL CA A 31 VAL C 1.0 -68.17 -63.17 PHI 34 34 A 31 VAL N A 31 VAL CA A 31 VAL C A 32 ASP N 1.0 -51.49 -31.77 PSI 35 35 A 31 VAL C A 32 ASP N A 32 ASP CA A 32 ASP C 1.0 -80.16 -48.30 PHI 36 36 A 32 ASP N A 32 ASP CA A 32 ASP C A 33 LEU N 1.0 -50.73 -39.07 PSI 37 37 A 32 ASP C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -73.73 -57.21 PHI 38 38 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 ASP N 1.0 -46.30 -31.24 PSI 39 39 A 33 LEU C A 34 ASP N A 34 ASP CA A 34 ASP C 1.0 -69.56 -61.64 PHI 40 40 A 34 ASP N A 34 ASP CA A 34 ASP C A 35 ILE N 1.0 -46.18 -36.72 PSI 41 41 A 34 ASP C A 35 ILE N A 35 ILE CA A 35 ILE C 1.0 -65.99 -59.77 PHI 42 42 A 35 ILE N A 35 ILE CA A 35 ILE C A 36 LYS N 1.0 -45.44 -41.04 PSI 43 43 A 35 ILE C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -64.39 -56.43 PHI 44 44 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 ASN N 1.0 -51.01 -39.09 PSI 45 45 A 36 LYS C A 37 ASN N A 37 ASN CA A 37 ASN C 1.0 -92.07 -64.17 PHI 46 46 A 37 ASN N A 37 ASN CA A 37 ASN C A 38 ASN N 1.0 -39.36 -2.28 PSI 47 47 A 37 ASN C A 38 ASN N A 38 ASN CA A 38 ASN C 1.0 -85.32 -56.28 PHI 48 48 A 38 ASN N A 38 ASN CA A 38 ASN C A 39 MET N 1.0 -48.25 -11.99 PSI 49 49 B 179 LEU C B 180 ASN N B 180 ASN CA B 180 ASN C 1.0 -66.50 -54.76 PHI 50 50 B 180 ASN N B 180 ASN CA B 180 ASN C B 181 ASN N 1.0 -50.85 -32.17 PSI 51 51 B 180 ASN C B 181 ASN N B 181 ASN CA B 181 ASN C 1.0 -70.13 -61.19 PHI 52 52 B 181 ASN N B 181 ASN CA B 181 ASN C B 182 THR N 1.0 -46.10 -33.34 PSI 53 53 B 181 ASN C B 182 THR N B 182 THR CA B 182 THR C 1.0 -70.79 -59.59 PHI 54 54 B 182 THR N B 182 THR CA B 182 THR C B 183 LYS N 1.0 -47.25 -33.93 PSI 55 55 B 182 THR C B 183 LYS N B 183 LYS CA B 183 LYS C 1.0 -65.02 -55.70 PHI 56 56 B 183 LYS N B 183 LYS CA B 183 LYS C B 184 LYS N 1.0 -47.22 -36.24 PSI 57 57 B 183 LYS C B 184 LYS N B 184 LYS CA B 184 LYS C 1.0 -74.02 -60.16 PHI 58 58 B 184 LYS N B 184 LYS CA B 184 LYS C B 185 VAL N 1.0 -46.25 -31.51 PSI 59 59 B 184 LYS C B 185 VAL N B 185 VAL CA B 185 VAL C 1.0 -67.91 -54.75 PHI 60 60 B 185 VAL N B 185 VAL CA B 185 VAL C B 186 ALA N 1.0 -46.97 -38.23 PSI 61 61 B 185 VAL C B 186 ALA N B 186 ALA CA B 186 ALA C 1.0 -91.30 -71.50 PHI 62 62 B 186 ALA N B 186 ALA CA B 186 ALA C B 187 ASN N 1.0 -38.00 -6.58 PSI 63 63 B 193 GLU C B 194 GLU N B 194 GLU CA B 194 GLU C 1.0 -70.99 -60.31 PHI 64 64 B 194 GLU N B 194 GLU CA B 194 GLU C B 195 ASP N 1.0 -43.80 -33.14 PSI 65 65 B 194 GLU C B 195 ASP N B 195 ASP CA B 195 ASP C 1.0 -69.32 -59.78 PHI 66 66 B 195 ASP N B 195 ASP CA B 195 ASP C B 196 THR N 1.0 -42.72 -31.16 PSI 67 67 B 195 ASP C B 196 THR N B 196 THR CA B 196 THR C 1.0 -69.32 -57.20 PHI 68 68 B 196 THR N B 196 THR CA B 196 THR C B 197 ASN N 1.0 -48.23 -36.55 PSI 69 69 B 196 THR C B 197 ASN N B 197 ASN CA B 197 ASN C 1.0 -68.26 -59.62 PHI 70 70 B 197 ASN N B 197 ASN CA B 197 ASN C B 198 LEU N 1.0 -50.49 -37.75 PSI 71 71 B 197 ASN C B 198 LEU N B 198 LEU CA B 198 LEU C 1.0 -69.34 -60.48 PHI 72 72 B 198 LEU N B 198 LEU CA B 198 LEU C B 199 LEU N 1.0 -44.68 -38.28 PSI 73 73 B 198 LEU C B 199 LEU N B 199 LEU CA B 199 LEU C 1.0 -70.09 -62.49 PHI 74 74 B 199 LEU N B 199 LEU CA B 199 LEU C B 200 ILE N 1.0 -48.55 -41.03 PSI 75 75 B 199 LEU C B 200 ILE N B 200 ILE CA B 200 ILE C 1.0 -67.18 -57.78 PHI 76 76 B 200 ILE N B 200 ILE CA B 200 ILE C B 201 ASN N 1.0 -50.02 -30.64 PSI 77 77 B 200 ILE C B 201 ASN N B 201 ASN CA B 201 ASN C 1.0 -66.76 -59.08 PHI 78 78 B 201 ASN N B 201 ASN CA B 201 ASN C B 202 ALA N 1.0 -44.31 -36.99 PSI 79 79 B 201 ASN C B 202 ALA N B 202 ALA CA B 202 ALA C 1.0 -73.41 -59.61 PHI 80 80 B 202 ALA N B 202 ALA CA B 202 ALA C B 203 VAL N 1.0 -46.57 -36.77 PSI 81 81 B 202 ALA C B 203 VAL N B 203 VAL CA B 203 VAL C 1.0 -68.17 -63.17 PHI 82 82 B 203 VAL N B 203 VAL CA B 203 VAL C B 204 ASP N 1.0 -51.49 -31.77 PSI 83 83 B 203 VAL C B 204 ASP N B 204 ASP CA B 204 ASP C 1.0 -80.16 -48.30 PHI 84 84 B 204 ASP N B 204 ASP CA B 204 ASP C B 205 LEU N 1.0 -50.73 -39.07 PSI 85 85 B 204 ASP C B 205 LEU N B 205 LEU CA B 205 LEU C 1.0 -73.73 -57.21 PHI 86 86 B 205 LEU N B 205 LEU CA B 205 LEU C B 206 ASP N 1.0 -46.30 -31.24 PSI 87 87 B 205 LEU C B 206 ASP N B 206 ASP CA B 206 ASP C 1.0 -69.56 -61.64 PHI 88 88 B 206 ASP N B 206 ASP CA B 206 ASP C B 207 ILE N 1.0 -46.18 -36.72 PSI 89 89 B 206 ASP C B 207 ILE N B 207 ILE CA B 207 ILE C 1.0 -65.99 -59.77 PHI 90 90 B 207 ILE N B 207 ILE CA B 207 ILE C B 208 LYS N 1.0 -45.44 -41.04 PSI 91 91 B 207 ILE C B 208 LYS N B 208 LYS CA B 208 LYS C 1.0 -64.39 -56.43 PHI 92 92 B 208 LYS N B 208 LYS CA B 208 LYS C B 209 ASN N 1.0 -51.01 -39.09 PSI 93 93 B 208 LYS C B 209 ASN N B 209 ASN CA B 209 ASN C 1.0 -92.07 -64.17 PHI 94 94 B 209 ASN N B 209 ASN CA B 209 ASN C B 210 ASN N 1.0 -39.36 -2.28 PSI 95 95 B 209 ASN C B 210 ASN N B 210 ASN CA B 210 ASN C 1.0 -85.32 -56.28 PHI 96 96 B 210 ASN N B 210 ASN CA B 210 ASN C B 211 MET N 1.0 -48.25 -11.99 PSI stop_ save_