data_nef_c19957_2nbj save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 SER start . . 2 A 2 ASN middle . . 3 A 3 THR middle . . 4 A 4 ARG middle . . 5 A 5 ASN middle . . 6 A 6 PHE middle . . 7 A 7 VAL middle . . 8 A 8 LEU middle . . 9 A 9 ARG middle . . 10 A 10 ASP middle . . 11 A 11 GLU middle . . 12 A 12 ASP middle . . 13 A 13 GLY middle . false 14 A 14 ASN middle . . 15 A 15 GLU middle . . 16 A 16 HIS middle . . 17 A 17 GLY middle . false 18 A 18 VAL middle . . 19 A 19 PHE middle . . 20 A 20 THR middle . . 21 A 21 GLY middle . false 22 A 22 LYS middle . . 23 A 23 GLN middle . . 24 A 24 PRO middle . false 25 A 25 ARG middle . . 26 A 26 GLN middle . . 27 A 27 ALA middle . . 28 A 28 ALA middle . . 29 A 29 LEU middle . . 30 A 30 LYS middle . . 31 A 31 ALA middle . . 32 A 32 ALA middle . . 33 A 33 ASN middle . . 34 A 34 ARG middle . . 35 A 35 GLY middle . false 36 A 36 SER middle . . 37 A 37 GLY middle . false 38 A 38 THR middle . . 39 A 39 LYS middle . . 40 A 40 ALA middle . . 41 A 41 ASN middle . . 42 A 42 PRO middle . false 43 A 43 ASP middle . . 44 A 44 ILE middle . . 45 A 45 ILE middle . . 46 A 46 ARG middle . . 47 A 47 LEU middle . . 48 A 48 ARG middle . . 49 A 49 GLU middle . . 50 A 50 ARG middle . . 51 A 51 GLY middle . false 52 A 52 THR middle . . 53 A 53 LYS middle . . 54 A 54 LYS middle . . 55 A 55 VAL middle . . 56 A 56 HIS middle . . 57 A 57 VAL middle . . 58 A 58 PHE middle . . 59 A 59 LYS middle . . 60 A 60 ALA middle . . 61 A 61 TRP middle . . 62 A 62 LYS middle . . 63 A 63 GLU middle . . 64 A 64 ILE middle . . 65 A 65 VAL middle . . 66 A 66 ASP middle . . 67 A 67 ALA middle . . 68 A 68 PRO middle . false 69 A 69 LYS middle . . 70 A 70 ASN middle . . 71 A 71 ARG middle . . 72 A 72 PRO middle . false 73 A 73 ALA middle . . 74 A 74 TRP middle . . 75 A 75 MET middle . . 76 A 76 PRO middle . false 77 A 77 GLU middle . . 78 A 78 LYS middle . . 79 A 79 ILE middle . . 80 A 80 SER middle . . 81 A 81 LYS middle . . 82 A 82 PRO middle . false 83 A 83 PHE middle . . 84 A 84 VAL middle . . 85 A 85 LYS middle . . 86 A 86 LYS middle . . 87 A 87 GLU middle . . 88 A 88 ARG middle . . 89 A 89 ILE middle . . 90 A 90 GLU middle . . 91 A 91 LYS middle . . 92 A 92 LEU middle . . 93 A 93 GLU end . . 94 B 1 DA start . . 95 B 2 DA middle . . 96 B 3 DA middle . . 97 B 4 DA middle . . 98 B 5 DA middle . . 99 B 6 DC middle . . 100 B 7 DA middle . . 101 B 8 DC middle . . 102 B 9 DA middle . . 103 B 10 DC middle . . 104 B 11 DA middle . . 105 B 12 DC middle . . 106 B 13 DC middle . . 107 B 14 DC middle . . 108 B 15 DA end . . 109 C 16 DT start . . 110 C 17 DG middle . . 111 C 18 DG middle . . 112 C 19 DG middle . . 113 C 20 DT middle . . 114 C 21 DG middle . . 115 C 22 DT middle . . 116 C 23 DG middle . . 117 C 24 DT middle . . 118 C 25 DG middle . . 119 C 26 DT middle . . 120 C 27 DT middle . . 121 C 28 DT middle . . 122 C 29 DT middle . . 123 C 30 DT 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 ASN HA H 1 4.928 0.04 A 2 ASN HB2 H 1 2.806 0.04 A 2 ASN HB3 H 1 2.902 0.04 A 2 ASN HD21 H 1 7.679 0.04 A 2 ASN HD22 H 1 7.037 0.04 A 2 ASN ND2 N 15 114.914 0.20 A 3 THR H H 1 8.358 0.04 A 3 THR HA H 1 4.064 0.04 A 3 THR HB H 1 4.064 0.04 A 3 THR HG2% H 1 1.195 0.04 A 3 THR N N 15 117.937 0.20 A 4 ARG H H 1 8.245 0.04 A 4 ARG HA H 1 4.467 0.04 A 4 ARG HB2 H 1 1.712 0.04 A 4 ARG HB3 H 1 1.908 0.04 A 4 ARG HD2 H 1 3.179 0.04 A 4 ARG HD3 H 1 3.323 0.04 A 4 ARG HE H 1 7.531 0.04 A 4 ARG HG2 H 1 1.681 0.04 A 4 ARG HG3 H 1 1.681 0.04 A 4 ARG N N 15 127.966 0.20 A 4 ARG NE N 15 86.59 0.20 A 5 ASN H H 1 8.375 0.04 A 5 ASN HA H 1 4.964 0.04 A 5 ASN HB2 H 1 2.217 0.04 A 5 ASN HB3 H 1 2.598 0.04 A 5 ASN HD21 H 1 7.237 0.04 A 5 ASN HD22 H 1 6.764 0.04 A 5 ASN N N 15 119.572 0.20 A 5 ASN ND2 N 15 114.403 0.20 A 6 PHE H H 1 9.047 0.04 A 6 PHE HA H 1 5.273 0.04 A 6 PHE HB2 H 1 2.803 0.04 A 6 PHE HB3 H 1 3.100 0.04 A 6 PHE HDx H 1 7.114 0.04 A 6 PHE HDy H 1 7.114 0.04 A 6 PHE HEx H 1 7.441 0.04 A 6 PHE HEy H 1 7.441 0.04 A 6 PHE HZ H 1 6.569 0.04 A 6 PHE N N 15 123.046 0.20 A 7 VAL H H 1 9.429 0.04 A 7 VAL HA H 1 5.105 0.04 A 7 VAL HB H 1 2.031 0.04 A 7 VAL HG1% H 1 1.032 0.04 A 7 VAL HG2% H 1 1.020 0.04 A 7 VAL N N 15 122.034 0.20 A 8 LEU H H 1 8.601 0.04 A 8 LEU HA H 1 5.061 0.04 A 8 LEU HB2 H 1 1.839 0.04 A 8 LEU HB3 H 1 2.033 0.04 A 8 LEU HD1% H 1 0.949 0.04 A 8 LEU HD2% H 1 1.021 0.04 A 8 LEU HG H 1 1.619 0.04 A 8 LEU N N 15 128.886 0.20 A 9 ARG H H 1 8.885 0.04 A 9 ARG HA H 1 5.343 0.04 A 9 ARG HB2 H 1 1.699 0.04 A 9 ARG HB3 H 1 1.833 0.04 A 9 ARG HD2 H 1 3.021 0.04 A 9 ARG HD3 H 1 3.170 0.04 A 9 ARG HE H 1 8.182 0.04 A 9 ARG N N 15 127.680 0.20 A 9 ARG NE N 15 87.76 0.20 A 10 ASP H H 1 8.922 0.04 A 10 ASP HA H 1 5.036 0.04 A 10 ASP HB2 H 1 2.945 0.04 A 10 ASP HB3 H 1 3.448 0.04 A 10 ASP N N 15 127.047 0.20 A 11 GLU H H 1 9.212 0.04 A 11 GLU HA H 1 3.956 0.04 A 11 GLU HB2 H 1 2.133 0.04 A 11 GLU HB3 H 1 2.133 0.04 A 11 GLU HG2 H 1 2.371 0.04 A 11 GLU HG3 H 1 2.371 0.04 A 11 GLU N N 15 121.454 0.20 A 12 ASP H H 1 8.070 0.04 A 12 ASP HA H 1 4.759 0.04 A 12 ASP HB2 H 1 2.815 0.04 A 12 ASP HB3 H 1 2.815 0.04 A 12 ASP N N 15 118.948 0.20 A 13 GLY H H 1 8.071 0.04 A 13 GLY HA2 H 1 3.447 0.04 A 13 GLY HA3 H 1 4.314 0.04 A 13 GLY N N 15 109.962 0.20 A 14 ASN H H 1 8.416 0.04 A 14 ASN HA H 1 4.647 0.04 A 14 ASN HB2 H 1 2.673 0.04 A 14 ASN HB3 H 1 3.187 0.04 A 14 ASN HD22 H 1 7.192 0.04 A 14 ASN N N 15 121.547 0.20 A 14 ASN ND2 N 15 119.188 0.20 A 15 GLU H H 1 8.566 0.04 A 15 GLU HA H 1 5.381 0.04 A 15 GLU HB2 H 1 1.910 0.04 A 15 GLU HB3 H 1 1.910 0.04 A 15 GLU HG2 H 1 2.564 0.04 A 15 GLU HG3 H 1 2.564 0.04 A 15 GLU N N 15 123.920 0.20 A 16 HIS H H 1 8.966 0.04 A 16 HIS HA H 1 4.886 0.04 A 16 HIS HB2 H 1 3.060 0.04 A 16 HIS HB3 H 1 3.466 0.04 A 16 HIS HD2 H 1 6.985 0.04 A 16 HIS HE1 H 1 8.507 0.04 A 16 HIS N N 15 121.736 0.20 A 17 GLY H H 1 8.418 0.04 A 17 GLY HA2 H 1 3.847 0.04 A 17 GLY HA3 H 1 4.090 0.04 A 17 GLY N N 15 111.919 0.20 A 18 VAL H H 1 7.560 0.04 A 18 VAL HA H 1 4.819 0.04 A 18 VAL HB H 1 1.830 0.04 A 18 VAL HG1% H 1 0.810 0.04 A 18 VAL HG2% H 1 0.895 0.04 A 18 VAL N N 15 119.397 0.20 A 19 PHE H H 1 9.550 0.04 A 19 PHE HA H 1 4.954 0.04 A 19 PHE HB2 H 1 2.623 0.04 A 19 PHE HB3 H 1 3.100 0.04 A 19 PHE HDx H 1 7.202 0.04 A 19 PHE HDy H 1 7.202 0.04 A 19 PHE HEx H 1 7.163 0.04 A 19 PHE HEy H 1 7.163 0.04 A 19 PHE N N 15 128.079 0.20 A 20 THR H H 1 8.779 0.04 A 20 THR HA H 1 5.785 0.04 A 20 THR HB H 1 4.300 0.04 A 20 THR HG2% H 1 1.247 0.04 A 20 THR N N 15 114.987 0.20 A 21 GLY H H 1 8.550 0.04 A 21 GLY HA2 H 1 4.092 0.04 A 21 GLY HA3 H 1 3.861 0.04 A 21 GLY N N 15 107.270 0.20 A 22 LYS H H 1 8.958 0.04 A 22 LYS HA H 1 4.466 0.04 A 22 LYS HB2 H 1 2.185 0.04 A 22 LYS HB3 H 1 2.185 0.04 A 22 LYS HD2 H 1 2.025 0.04 A 22 LYS HD3 H 1 2.025 0.04 A 22 LYS HE2 H 1 3.308 0.04 A 22 LYS HG2 H 1 1.636 0.04 A 23 GLN H H 1 7.588 0.04 A 23 GLN HA H 1 4.804 0.04 A 23 GLN HB2 H 1 2.700 0.04 A 23 GLN HB3 H 1 2.700 0.04 A 23 GLN HE21 H 1 7.736 0.04 A 23 GLN HE22 H 1 6.955 0.04 A 23 GLN HG2 H 1 2.474 0.04 A 23 GLN HG3 H 1 2.474 0.04 A 23 GLN N N 15 116.057 0.20 A 23 GLN NE2 N 15 112.607 0.20 A 24 PRO HA H 1 2.882 0.04 A 24 PRO HB2 H 1 0.134 0.04 A 24 PRO HD2 H 1 4.468 0.04 A 24 PRO HD3 H 1 4.003 0.04 A 25 ARG H H 1 8.357 0.04 A 25 ARG HA H 1 3.413 0.04 A 25 ARG HE H 1 7.322 0.04 A 25 ARG HH1x H 1 10.070 0.04 A 25 ARG HH1y H 1 10.070 0.04 A 25 ARG HH2x H 1 10.099 0.04 A 25 ARG HH2y H 1 10.099 0.04 A 25 ARG N N 15 117.937 0.20 A 25 ARG NE N 15 85.88 0.20 A 26 GLN H H 1 7.091 0.04 A 26 GLN HA H 1 3.869 0.04 A 26 GLN HB2 H 1 2.159 0.04 A 26 GLN HB3 H 1 2.250 0.04 A 26 GLN HE21 H 1 7.730 0.04 A 26 GLN HE22 H 1 7.152 0.04 A 26 GLN HG2 H 1 2.478 0.04 A 26 GLN HG3 H 1 2.478 0.04 A 26 GLN N N 15 117.027 0.20 A 26 GLN NE2 N 15 113.894 0.20 A 27 ALA H H 1 6.568 0.04 A 27 ALA HA H 1 3.992 0.04 A 27 ALA HB% H 1 0.870 0.04 A 27 ALA N N 15 122.097 0.20 A 28 ALA H H 1 7.825 0.04 A 28 ALA HA H 1 3.194 0.04 A 28 ALA HB% H 1 0.135 0.04 A 28 ALA N N 15 122.187 0.20 A 29 LEU H H 1 7.806 0.04 A 29 LEU HA H 1 3.502 0.04 A 29 LEU HB2 H 1 1.679 0.04 A 29 LEU HB3 H 1 1.486 0.04 A 29 LEU HD1% H 1 0.784 0.04 A 29 LEU HD2% H 1 0.565 0.04 A 29 LEU N N 15 120.000 0.20 A 30 LYS H H 1 6.659 0.04 A 30 LYS HA H 1 4.143 0.04 A 30 LYS HB2 H 1 2.119 0.04 A 30 LYS HB3 H 1 2.119 0.04 A 30 LYS HD2 H 1 1.667 0.04 A 30 LYS HD3 H 1 1.667 0.04 A 30 LYS HE2 H 1 3.184 0.04 A 30 LYS HE3 H 1 3.184 0.04 A 30 LYS HG2 H 1 1.895 0.04 A 30 LYS HG3 H 1 1.827 0.04 A 30 LYS N N 15 118.739 0.20 A 31 ALA H H 1 7.266 0.04 A 31 ALA HA H 1 3.402 0.04 A 31 ALA HB% H 1 0.559 0.04 A 31 ALA N N 15 124.461 0.20 A 32 ALA H H 1 8.814 0.04 A 32 ALA HA H 1 3.840 0.04 A 32 ALA HB% H 1 1.323 0.04 A 32 ALA N N 15 124.503 0.20 A 33 ASN H H 1 7.534 0.04 A 33 ASN HA H 1 4.446 0.04 A 33 ASN HB2 H 1 2.900 0.04 A 33 ASN HB3 H 1 2.900 0.04 A 33 ASN HD21 H 1 7.728 0.04 A 33 ASN HD22 H 1 7.157 0.04 A 33 ASN N N 15 115.977 0.20 A 34 ARG H H 1 7.324 0.04 A 34 ARG HA H 1 4.524 0.04 A 34 ARG HB2 H 1 1.912 0.04 A 34 ARG HB3 H 1 2.268 0.04 A 34 ARG HD2 H 1 3.381 0.04 A 34 ARG HD3 H 1 3.381 0.04 A 34 ARG HE H 1 7.526 0.04 A 34 ARG HG2 H 1 1.933 0.04 A 34 ARG HG3 H 1 1.863 0.04 A 34 ARG N N 15 117.057 0.20 A 34 ARG NE N 15 86.59 0.20 A 35 GLY H H 1 7.355 0.04 A 35 GLY HA2 H 1 4.118 0.04 A 35 GLY HA3 H 1 4.524 0.04 A 35 GLY N N 15 109.987 0.20 A 36 SER H H 1 8.762 0.04 A 36 SER HA H 1 4.825 0.04 A 36 SER HB2 H 1 4.007 0.04 A 36 SER HB3 H 1 4.007 0.04 A 36 SER N N 15 114.987 0.20 A 37 GLY H H 1 8.952 0.04 A 37 GLY HA2 H 1 4.315 0.04 A 37 GLY HA3 H 1 4.315 0.04 A 37 GLY N N 15 113.499 0.20 A 38 THR H H 1 7.813 0.04 A 38 THR HA H 1 5.137 0.04 A 38 THR HB H 1 4.645 0.04 A 38 THR HG2% H 1 1.385 0.04 A 38 THR N N 15 116.086 0.20 A 39 LYS H H 1 8.919 0.04 A 39 LYS HA H 1 2.109 0.04 A 39 LYS HB2 H 1 1.410 0.04 A 39 LYS HB3 H 1 1.465 0.04 A 39 LYS HG2 H 1 0.555 0.04 A 39 LYS HG3 H 1 0.879 0.04 A 40 ALA H H 1 7.836 0.04 A 40 ALA HA H 1 4.002 0.04 A 40 ALA HB% H 1 1.285 0.04 A 40 ALA N N 15 117.998 0.20 A 41 ASN H H 1 7.461 0.04 A 41 ASN HA H 1 5.070 0.04 A 41 ASN HB2 H 1 2.471 0.04 A 41 ASN HB3 H 1 2.808 0.04 A 41 ASN HD21 H 1 7.583 0.04 A 41 ASN HD22 H 1 6.814 0.04 A 41 ASN N N 15 117.136 0.20 A 41 ASN ND2 N 15 114.580 0.20 A 42 PRO HA H 1 4.820 0.04 A 42 PRO HB2 H 1 2.266 0.04 A 42 PRO HD2 H 1 3.556 0.04 A 42 PRO HD3 H 1 3.241 0.04 A 42 PRO HG2 H 1 1.827 0.04 A 43 ASP H H 1 9.415 0.04 A 43 ASP HA H 1 4.919 0.04 A 43 ASP HB2 H 1 2.699 0.04 A 43 ASP HB3 H 1 2.699 0.04 A 43 ASP N N 15 122.572 0.20 A 44 ILE H H 1 8.544 0.04 A 44 ILE HA H 1 5.114 0.04 A 44 ILE HB H 1 2.005 0.04 A 44 ILE HD1% H 1 0.859 0.04 A 44 ILE HG12 H 1 1.470 0.04 A 44 ILE HG13 H 1 1.558 0.04 A 44 ILE HG2% H 1 0.830 0.04 A 44 ILE N N 15 123.424 0.20 A 45 ILE H H 1 9.336 0.04 A 45 ILE HA H 1 5.109 0.04 A 45 ILE HD1% H 1 0.533 0.04 A 45 ILE HG12 H 1 1.323 0.04 A 45 ILE HG13 H 1 1.685 0.04 A 45 ILE HG2% H 1 0.798 0.04 A 45 ILE N N 15 125.768 0.20 A 46 ARG H H 1 8.394 0.04 A 46 ARG HA H 1 5.003 0.04 A 46 ARG HB2 H 1 1.674 0.04 A 46 ARG HB3 H 1 2.439 0.04 A 46 ARG HD2 H 1 3.078 0.04 A 46 ARG HD3 H 1 3.078 0.04 A 46 ARG HE H 1 8.181 0.04 A 46 ARG HG2 H 1 1.401 0.04 A 46 ARG HG3 H 1 1.495 0.04 A 46 ARG N N 15 125.355 0.20 A 46 ARG NE N 15 87.76 0.20 A 47 LEU H H 1 9.313 0.04 A 47 LEU HA H 1 5.409 0.04 A 47 LEU HB2 H 1 1.580 0.04 A 47 LEU HB3 H 1 1.876 0.04 A 47 LEU HD1% H 1 0.616 0.04 A 47 LEU HD2% H 1 0.510 0.04 A 47 LEU HG H 1 0.507 0.04 A 47 LEU N N 15 125.101 0.20 A 48 ARG H H 1 9.739 0.04 A 48 ARG HA H 1 5.446 0.04 A 48 ARG HB2 H 1 1.491 0.04 A 48 ARG HB3 H 1 2.044 0.04 A 48 ARG HD2 H 1 2.709 0.04 A 48 ARG HD3 H 1 3.324 0.04 A 48 ARG HE H 1 7.954 0.04 A 48 ARG HG2 H 1 1.614 0.04 A 48 ARG HG3 H 1 1.727 0.04 A 48 ARG N N 15 128.858 0.20 A 48 ARG NE N 15 87.76 0.20 A 49 GLU H H 1 9.107 0.04 A 49 GLU HA H 1 4.292 0.04 A 49 GLU HB2 H 1 1.982 0.04 A 49 GLU HB3 H 1 1.943 0.04 A 49 GLU HG2 H 1 2.343 0.04 A 49 GLU HG3 H 1 2.343 0.04 A 50 ARG H H 1 8.666 0.04 A 50 ARG HA H 1 4.023 0.04 A 50 ARG HB2 H 1 1.613 0.04 A 50 ARG HB3 H 1 1.736 0.04 A 50 ARG HD2 H 1 3.182 0.04 A 50 ARG HD3 H 1 3.182 0.04 A 50 ARG HE H 1 7.572 0.04 A 50 ARG HG2 H 1 1.915 0.04 A 50 ARG HG3 H 1 1.915 0.04 A 50 ARG N N 15 133.146 0.20 A 51 GLY H H 1 8.092 0.04 A 51 GLY HA2 H 1 3.837 0.04 A 51 GLY HA3 H 1 4.336 0.04 A 51 GLY N N 15 111.776 0.20 A 52 THR H H 1 8.091 0.04 A 52 THR HA H 1 5.089 0.04 A 52 THR HB H 1 4.462 0.04 A 52 THR HG1 H 1 5.621 0.04 A 52 THR HG2% H 1 1.166 0.04 A 52 THR N N 15 111.776 0.20 A 53 LYS H H 1 8.942 0.04 A 53 LYS HA H 1 4.784 0.04 A 53 LYS HB2 H 1 1.831 0.04 A 53 LYS HB3 H 1 1.831 0.04 A 53 LYS HG2 H 1 1.485 0.04 A 53 LYS HG3 H 1 1.485 0.04 A 53 LYS N N 15 121.711 0.20 A 54 LYS H H 1 8.161 0.04 A 54 LYS HA H 1 4.586 0.04 A 54 LYS HB2 H 1 1.441 0.04 A 54 LYS HB3 H 1 1.979 0.04 A 54 LYS HD2 H 1 1.199 0.04 A 54 LYS HD3 H 1 1.199 0.04 A 54 LYS HE2 H 1 2.974 0.04 A 54 LYS HE3 H 1 2.974 0.04 A 54 LYS HG2 H 1 1.441 0.04 A 54 LYS HG3 H 1 1.650 0.04 A 54 LYS N N 15 120.936 0.20 A 55 VAL H H 1 8.975 0.04 A 55 VAL HA H 1 4.466 0.04 A 55 VAL HB H 1 2.051 0.04 A 55 VAL HG1% H 1 0.808 0.04 A 55 VAL HG2% H 1 0.808 0.04 A 55 VAL N N 15 124.820 0.20 A 56 HIS H H 1 9.437 0.04 A 56 HIS HA H 1 4.466 0.04 A 56 HIS HB2 H 1 2.905 0.04 A 56 HIS HB3 H 1 3.416 0.04 A 56 HIS HD2 H 1 7.441 0.04 A 56 HIS HE1 H 1 8.013 0.04 A 56 HIS N N 15 130.251 0.20 A 57 VAL H H 1 8.793 0.04 A 57 VAL HA H 1 5.123 0.04 A 57 VAL HB H 1 1.971 0.04 A 57 VAL HG1% H 1 0.821 0.04 A 57 VAL HG2% H 1 0.821 0.04 A 57 VAL N N 15 127.151 0.20 A 58 PHE H H 1 9.552 0.04 A 58 PHE HA H 1 5.349 0.04 A 58 PHE HB2 H 1 2.601 0.04 A 58 PHE HB3 H 1 3.067 0.04 A 58 PHE HDx H 1 6.975 0.04 A 58 PHE HDy H 1 6.975 0.04 A 58 PHE HEx H 1 7.362 0.04 A 58 PHE HEy H 1 7.362 0.04 A 58 PHE HZ H 1 7.108 0.04 A 58 PHE N N 15 126.817 0.20 A 59 LYS H H 1 9.296 0.04 A 59 LYS HA H 1 5.377 0.04 A 59 LYS HB2 H 1 2.238 0.04 A 59 LYS HB3 H 1 2.134 0.04 A 59 LYS N N 15 122.262 0.20 A 60 ALA H H 1 9.593 0.04 A 60 ALA HA H 1 5.583 0.04 A 60 ALA HB% H 1 1.325 0.04 A 60 ALA N N 15 127.589 0.20 A 61 TRP H H 1 9.100 0.04 A 61 TRP HA H 1 5.413 0.04 A 61 TRP HB2 H 1 2.414 0.04 A 61 TRP HB3 H 1 3.343 0.04 A 61 TRP HD1 H 1 6.759 0.04 A 61 TRP HE1 H 1 10.975 0.04 A 61 TRP HE3 H 1 7.096 0.04 A 61 TRP HH2 H 1 7.059 0.04 A 61 TRP HZ2 H 1 7.269 0.04 A 61 TRP HZ3 H 1 6.759 0.04 A 61 TRP N N 15 122.483 0.20 A 61 TRP NE1 N 15 135.213 0.20 A 62 LYS H H 1 7.586 0.04 A 62 LYS HA H 1 5.515 0.04 A 62 LYS HB2 H 1 1.830 0.04 A 62 LYS HB3 H 1 1.830 0.04 A 62 LYS N N 15 116.057 0.20 A 63 GLU H H 1 8.947 0.04 A 63 GLU HA H 1 4.798 0.04 A 63 GLU HB2 H 1 2.440 0.04 A 63 GLU HB3 H 1 2.246 0.04 A 63 GLU HG2 H 1 2.388 0.04 A 63 GLU HG3 H 1 2.388 0.04 A 63 GLU N N 15 121.399 0.20 A 64 ILE H H 1 8.611 0.04 A 64 ILE HA H 1 4.795 0.04 A 64 ILE HB H 1 1.887 0.04 A 64 ILE HD1% H 1 0.845 0.04 A 64 ILE HG12 H 1 1.333 0.04 A 64 ILE HG13 H 1 1.594 0.04 A 64 ILE HG2% H 1 0.845 0.04 A 64 ILE N N 15 124.661 0.20 A 65 VAL H H 1 9.365 0.04 A 65 VAL HA H 1 4.841 0.04 A 65 VAL HB H 1 2.395 0.04 A 65 VAL HG1% H 1 0.863 0.04 A 65 VAL HG2% H 1 1.092 0.04 A 65 VAL N N 15 125.146 0.20 A 66 ASP H H 1 8.316 0.04 A 66 ASP HB2 H 1 2.513 0.04 A 66 ASP HB3 H 1 2.725 0.04 A 66 ASP N N 15 121.691 0.20 A 67 ALA H H 1 8.302 0.04 A 67 ALA HA H 1 4.220 0.04 A 67 ALA HB% H 1 1.315 0.04 A 67 ALA N N 15 127.040 0.20 A 68 PRO HA H 1 4.434 0.04 A 68 PRO HB2 H 1 2.569 0.04 A 68 PRO HB3 H 1 2.520 0.04 A 69 LYS H H 1 8.481 0.04 A 69 LYS HA H 1 3.921 0.04 A 69 LYS HB2 H 1 1.795 0.04 A 69 LYS HB3 H 1 1.795 0.04 A 69 LYS HD2 H 1 2.379 0.04 A 69 LYS HD3 H 1 2.379 0.04 A 69 LYS HG2 H 1 1.504 0.04 A 69 LYS HG3 H 1 1.504 0.04 A 69 LYS N N 15 122.731 0.20 A 70 ASN H H 1 8.193 0.04 A 70 ASN HA H 1 4.674 0.04 A 70 ASN HB2 H 1 2.777 0.04 A 70 ASN HB3 H 1 2.777 0.04 A 70 ASN HD21 H 1 7.640 0.04 A 70 ASN HD22 H 1 6.911 0.04 A 70 ASN N N 15 117.994 0.20 A 70 ASN ND2 N 15 114.390 0.20 A 71 ARG H H 1 7.402 0.04 A 71 ARG HA H 1 4.366 0.04 A 71 ARG HB2 H 1 1.578 0.04 A 71 ARG HB3 H 1 1.733 0.04 A 71 ARG HD2 H 1 2.543 0.04 A 71 ARG HD3 H 1 2.960 0.04 A 71 ARG HE H 1 6.711 0.04 A 71 ARG HG2 H 1 1.209 0.04 A 71 ARG HG3 H 1 1.397 0.04 A 71 ARG HH11 H 1 7.438 0.04 A 71 ARG HH12 H 1 7.438 0.04 A 71 ARG N N 15 121.354 0.20 A 71 ARG NE N 15 87.91 0.20 A 72 PRO HA H 1 4.086 0.04 A 72 PRO HB2 H 1 0.068 0.04 A 72 PRO HB3 H 1 1.579 0.04 A 72 PRO HD2 H 1 3.246 0.04 A 72 PRO HD3 H 1 2.925 0.04 A 73 ALA H H 1 8.512 0.04 A 73 ALA HA H 1 3.902 0.04 A 73 ALA HB% H 1 1.393 0.04 A 73 ALA N N 15 123.915 0.20 A 74 TRP H H 1 6.419 0.04 A 74 TRP HA H 1 4.396 0.04 A 74 TRP HB2 H 1 3.022 0.04 A 74 TRP HB3 H 1 3.461 0.04 A 74 TRP HD1 H 1 6.845 0.04 A 74 TRP HE1 H 1 10.278 0.04 A 74 TRP HE3 H 1 6.815 0.04 A 74 TRP HH2 H 1 6.677 0.04 A 74 TRP HZ2 H 1 7.169 0.04 A 74 TRP HZ3 H 1 7.097 0.04 A 74 TRP N N 15 111.494 0.20 A 74 TRP NE1 N 15 133.346 0.20 A 75 MET H H 1 7.060 0.04 A 75 MET HA H 1 4.433 0.04 A 75 MET HB2 H 1 1.731 0.04 A 75 MET HB3 H 1 1.877 0.04 A 75 MET HE% H 1 1.945 0.04 A 75 MET HG2 H 1 2.438 0.04 A 75 MET HG3 H 1 2.438 0.04 A 75 MET N N 15 126.637 0.20 A 76 PRO HA H 1 4.564 0.04 A 76 PRO HB2 H 1 2.468 0.04 A 76 PRO HB3 H 1 2.379 0.04 A 76 PRO HD2 H 1 3.990 0.04 A 76 PRO HD3 H 1 3.990 0.04 A 77 GLU H H 1 8.139 0.04 A 77 GLU HA H 1 3.694 0.04 A 77 GLU HB2 H 1 2.020 0.04 A 77 GLU HB3 H 1 2.020 0.04 A 77 GLU HG2 H 1 2.280 0.04 A 77 GLU HG3 H 1 2.278 0.04 A 77 GLU N N 15 115.293 0.20 A 78 LYS H H 1 7.455 0.04 A 78 LYS HA H 1 5.097 0.04 A 78 LYS HB2 H 1 1.886 0.04 A 78 LYS HB3 H 1 2.137 0.04 A 78 LYS HE2 H 1 2.928 0.04 A 78 LYS HE3 H 1 2.928 0.04 A 78 LYS HG2 H 1 1.483 0.04 A 78 LYS HG3 H 1 1.533 0.04 A 78 LYS N N 15 119.573 0.20 A 79 ILE H H 1 8.973 0.04 A 79 ILE HA H 1 4.689 0.04 A 79 ILE HB H 1 1.887 0.04 A 79 ILE HD1% H 1 0.885 0.04 A 79 ILE HG12 H 1 1.401 0.04 A 79 ILE HG13 H 1 1.685 0.04 A 79 ILE HG2% H 1 1.400 0.04 A 79 ILE N N 15 118.026 0.20 A 80 SER H H 1 8.550 0.04 A 80 SER HA H 1 5.092 0.04 A 80 SER HB2 H 1 3.771 0.04 A 80 SER HB3 H 1 3.832 0.04 A 80 SER N N 15 118.300 0.20 A 81 LYS H H 1 9.197 0.04 A 81 LYS HA H 1 4.800 0.04 A 81 LYS HB2 H 1 1.664 0.04 A 81 LYS HB3 H 1 1.867 0.04 A 81 LYS HD2 H 1 1.396 0.04 A 81 LYS HD3 H 1 1.396 0.04 A 81 LYS N N 15 130.542 0.20 A 82 PRO HA H 1 4.995 0.04 A 82 PRO HB2 H 1 1.925 0.04 A 82 PRO HB3 H 1 1.925 0.04 A 82 PRO HD2 H 1 3.757 0.04 A 82 PRO HD3 H 1 3.756 0.04 A 83 PHE H H 1 8.717 0.04 A 83 PHE HA H 1 4.037 0.04 A 83 PHE HB2 H 1 0.234 0.04 A 83 PHE HB3 H 1 1.378 0.04 A 83 PHE HD1 H 1 7.057 0.04 A 83 PHE HD2 H 1 7.057 0.04 A 83 PHE HE1 H 1 7.224 0.04 A 83 PHE HE2 H 1 7.224 0.04 A 83 PHE HZ H 1 7.223 0.04 A 83 PHE N N 15 120.486 0.20 A 84 VAL H H 1 7.577 0.04 A 84 VAL HA H 1 5.415 0.04 A 84 VAL HB H 1 2.119 0.04 A 84 VAL HG1% H 1 0.508 0.04 A 84 VAL HG2% H 1 0.561 0.04 A 84 VAL N N 15 109.347 0.20 A 85 LYS H H 1 9.019 0.04 A 85 LYS HA H 1 4.806 0.04 A 85 LYS HB2 H 1 2.119 0.04 A 85 LYS HB3 H 1 2.119 0.04 A 85 LYS HG2 H 1 1.575 0.04 A 85 LYS HG3 H 1 1.575 0.04 A 86 LYS H H 1 9.356 0.04 A 86 LYS HA H 1 3.849 0.04 A 86 LYS HG2 H 1 1.391 0.04 A 86 LYS HG3 H 1 1.391 0.04 A 87 GLU H H 1 9.304 0.04 A 87 GLU HA H 1 4.591 0.04 A 87 GLU HB2 H 1 1.726 0.04 A 87 GLU HB3 H 1 1.986 0.04 A 87 GLU N N 15 129.114 0.20 A 88 ARG H H 1 7.431 0.04 A 88 ARG HA H 1 4.475 0.04 A 88 ARG HD2 H 1 3.167 0.04 A 88 ARG HD3 H 1 3.283 0.04 A 88 ARG HE H 1 8.189 0.04 A 88 ARG HG2 H 1 1.050 0.04 A 88 ARG HG3 H 1 1.050 0.04 A 88 ARG N N 15 112.267 0.20 A 88 ARG NE N 15 87.76 0.20 A 89 ILE H H 1 8.310 0.04 A 89 ILE HA H 1 4.851 0.04 A 89 ILE HB H 1 2.976 0.04 A 89 ILE HD1% H 1 0.968 0.04 A 89 ILE HG12 H 1 2.406 0.04 A 89 ILE HG13 H 1 2.406 0.04 A 89 ILE HG2% H 1 0.595 0.04 A 89 ILE N N 15 121.691 0.20 A 90 GLU H H 1 9.549 0.04 A 90 GLU HA H 1 4.586 0.04 A 90 GLU HB2 H 1 1.831 0.04 A 90 GLU HB3 H 1 2.038 0.04 A 90 GLU HG2 H 1 2.267 0.04 A 90 GLU HG3 H 1 2.256 0.04 A 90 GLU N N 15 128.079 0.20 A 91 LYS H H 1 8.600 0.04 A 91 LYS HA H 1 5.084 0.04 A 91 LYS HB2 H 1 1.727 0.04 A 91 LYS HB3 H 1 1.800 0.04 A 91 LYS N N 15 122.698 0.20 A 92 LEU H H 1 8.787 0.04 A 92 LEU HA H 1 4.449 0.04 A 92 LEU HB2 H 1 1.536 0.04 A 92 LEU HB3 H 1 1.690 0.04 A 92 LEU HD1% H 1 0.809 0.04 A 92 LEU HD2% H 1 0.809 0.04 A 92 LEU HG H 1 1.328 0.04 A 92 LEU N N 15 126.698 0.20 A 93 GLU H H 1 8.015 0.04 A 93 GLU HA H 1 4.088 0.04 A 93 GLU HB2 H 1 1.906 0.04 A 93 GLU HB3 H 1 2.053 0.04 A 93 GLU HG2 H 1 2.268 0.04 A 93 GLU HG3 H 1 2.268 0.04 A 93 GLU N N 15 126.883 0.20 stop_ save_ save_assigned_chem_shift_list_2 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_2 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 B 1 DA H1' H 1 5.823 0.04 B 1 DA H2 H 1 7.659 0.04 B 1 DA H2' H 1 2.359 0.04 B 1 DA H2'' H 1 2.594 0.04 B 1 DA H3' H 1 4.817 0.04 B 1 DA H4' H 1 4.650 0.04 B 1 DA H5' H 1 4.203 0.04 B 1 DA H5'' H 1 3.702 0.04 B 1 DA H8 H 1 8.051 0.04 B 1 DA C1' C 13 83.944 0.20 B 1 DA C2 C 13 153.877 0.20 B 1 DA C2' C 13 40.501 0.20 B 1 DA C5' C 13 63.975 0.20 B 1 DA C8 C 13 141.475 0.20 B 2 DA H1' H 1 5.621 0.04 B 2 DA H2 H 1 7.303 0.04 B 2 DA H2' H 1 2.765 0.04 B 2 DA H2'' H 1 2.673 0.04 B 2 DA H3' H 1 5.011 0.04 B 2 DA H5' H 1 4.151 0.04 B 2 DA H5'' H 1 4.374 0.04 B 2 DA H8 H 1 8.161 0.04 B 2 DA C1' C 13 83.799 0.20 B 2 DA C2 C 13 153.479 0.20 B 2 DA C2' C 13 39.717 0.20 B 2 DA C5' C 13 67.580 0.20 B 2 DA C8 C 13 140.548 0.20 B 3 DA H1' H 1 5.825 0.04 B 3 DA H2 H 1 7.141 0.04 B 3 DA H2' H 1 2.680 0.04 B 3 DA H2'' H 1 2.857 0.04 B 3 DA H3' H 1 5.024 0.04 B 3 DA H5' H 1 4.432 0.04 B 3 DA H5'' H 1 4.087 0.04 B 3 DA H8 H 1 8.077 0.04 B 3 DA C1' C 13 83.847 0.20 B 3 DA C2 C 13 153.208 0.20 B 3 DA C2' C 13 40.665 0.20 B 3 DA C5' C 13 65.194 0.20 B 3 DA C8 C 13 140.356 0.20 B 4 DA H1' H 1 5.977 0.04 B 4 DA H2 H 1 7.151 0.04 B 4 DA H2' H 1 2.514 0.04 B 4 DA H2'' H 1 2.991 0.04 B 4 DA H3' H 1 5.081 0.04 B 4 DA H4' H 1 4.367 0.04 B 4 DA H5'' H 1 3.707 0.04 B 4 DA H8 H 1 8.011 0.04 B 4 DA C1' C 13 83.905 0.20 B 4 DA C2 C 13 153.208 0.20 B 4 DA C2' C 13 41.408 0.20 B 4 DA C3' C 13 78.642 0.20 B 4 DA C4' C 13 86.650 0.20 B 4 DA C5' C 13 63.975 0.20 B 4 DA C8 C 13 140.235 0.20 B 5 DA H1' H 1 5.980 0.04 B 5 DA H2 H 1 7.623 0.04 B 5 DA H2' H 1 2.515 0.04 B 5 DA H2'' H 1 2.986 0.04 B 5 DA H3' H 1 4.918 0.04 B 5 DA H4' H 1 4.098 0.04 B 5 DA H5' H 1 4.213 0.04 B 5 DA H5'' H 1 4.141 0.04 B 5 DA H8 H 1 7.973 0.04 B 5 DA C1' C 13 83.905 0.20 B 5 DA C2 C 13 154.079 0.20 B 5 DA C2' C 13 41.408 0.20 B 5 DA C4' C 13 84.943 0.20 B 5 DA C5' C 13 67.069 0.20 B 5 DA C8 C 13 140.303 0.20 B 6 DC H1' H 1 5.831 0.04 B 6 DC H2' H 1 1.665 0.04 B 6 DC H2'' H 1 2.012 0.04 B 6 DC H3' H 1 4.819 0.04 B 6 DC H41 H 1 7.983 0.04 B 6 DC H42 H 1 6.563 0.04 B 6 DC H5 H 1 5.124 0.04 B 6 DC H5'' H 1 4.400 0.04 B 6 DC H6 H 1 7.595 0.04 B 6 DC C1' C 13 83.847 0.20 B 6 DC C2' C 13 39.609 0.20 B 6 DC C5 C 13 97.301 0.20 B 6 DC C5' C 13 65.828 0.20 B 6 DC C6 C 13 142.856 0.20 B 6 DC N4 N 15 99.018 0.20 B 7 DA H1' H 1 6.154 0.04 B 7 DA H2 H 1 7.531 0.04 B 7 DA H2' H 1 2.837 0.04 B 7 DA H2'' H 1 2.662 0.04 B 7 DA H3' H 1 4.802 0.04 B 7 DA H4' H 1 4.345 0.04 B 7 DA H8 H 1 8.108 0.04 B 7 DA C1' C 13 84.590 0.20 B 7 DA C2 C 13 153.877 0.20 B 7 DA C2' C 13 41.010 0.20 B 7 DA C4' C 13 86.506 0.20 B 7 DA C8 C 13 140.429 0.20 B 8 DC H1' H 1 5.574 0.04 B 8 DC H2' H 1 2.011 0.04 B 8 DC H2'' H 1 2.377 0.04 B 8 DC H41 H 1 8.194 0.04 B 8 DC H42 H 1 6.503 0.04 B 8 DC H5 H 1 5.213 0.04 B 8 DC H5'' H 1 4.151 0.04 B 8 DC H6 H 1 7.229 0.04 B 8 DC C1' C 13 85.386 0.20 B 8 DC C2' C 13 39.656 0.20 B 8 DC C5 C 13 97.368 0.20 B 8 DC C5' C 13 65.595 0.20 B 8 DC C6 C 13 141.047 0.20 B 8 DC N4 N 15 99.544 0.20 B 9 DA H1' H 1 6.154 0.04 B 9 DA H2 H 1 7.572 0.04 B 9 DA H2' H 1 2.661 0.04 B 9 DA H2'' H 1 2.841 0.04 B 9 DA H8 H 1 8.110 0.04 B 9 DA C1' C 13 84.590 0.20 B 9 DA C2 C 13 154.091 0.20 B 9 DA C2' C 13 40.665 0.20 B 9 DA C8 C 13 140.429 0.20 B 10 DC H1' H 1 5.574 0.04 B 10 DC H2' H 1 2.009 0.04 B 10 DC H2'' H 1 2.363 0.04 B 10 DC H41 H 1 8.196 0.04 B 10 DC H42 H 1 6.511 0.04 B 10 DC H5 H 1 5.214 0.04 B 10 DC H5'' H 1 4.150 0.04 B 10 DC H6 H 1 7.237 0.04 B 10 DC C1' C 13 83.944 0.20 B 10 DC C2' C 13 39.656 0.20 B 10 DC C5 C 13 97.368 0.20 B 10 DC C5' C 13 65.595 0.20 B 10 DC C6 C 13 141.047 0.20 B 10 DC N4 N 15 99.651 0.20 B 11 DA H1' H 1 6.153 0.04 B 11 DA H2 H 1 7.524 0.04 B 11 DA H2' H 1 2.825 0.04 B 11 DA H2'' H 1 2.667 0.04 B 11 DA H3' H 1 4.928 0.04 B 11 DA H4' H 1 4.664 0.04 B 11 DA H5' H 1 4.149 0.04 B 11 DA H5'' H 1 4.365 0.04 B 11 DA H8 H 1 8.110 0.04 B 11 DA C1' C 13 84.590 0.20 B 11 DA C2 C 13 153.817 0.20 B 11 DA C2' C 13 41.010 0.20 B 11 DA C8 C 13 140.429 0.20 B 12 DC H1' H 1 5.741 0.04 B 12 DC H2' H 1 2.427 0.04 B 12 DC H2'' H 1 2.103 0.04 B 12 DC H3' H 1 4.661 0.04 B 12 DC H4' H 1 4.279 0.04 B 12 DC H41 H 1 8.115 0.04 B 12 DC H42 H 1 6.564 0.04 B 12 DC H5 H 1 5.214 0.04 B 12 DC H5' H 1 4.151 0.04 B 12 DC H5'' H 1 4.151 0.04 B 12 DC H6 H 1 7.247 0.04 B 12 DC C1' C 13 85.862 0.20 B 12 DC C2' C 13 40.134 0.20 B 12 DC C5 C 13 97.368 0.20 B 12 DC C5' C 13 65.595 0.20 B 12 DC C6 C 13 141.047 0.20 B 12 DC N4 N 15 99.234 0.20 B 13 DC H1' H 1 5.888 0.04 B 13 DC H2' H 1 2.414 0.04 B 13 DC H2'' H 1 2.064 0.04 B 13 DC H3' H 1 4.977 0.04 B 13 DC H4' H 1 4.065 0.04 B 13 DC H41 H 1 8.476 0.04 B 13 DC H42 H 1 6.741 0.04 B 13 DC H5 H 1 5.475 0.04 B 13 DC H5' H 1 3.704 0.04 B 13 DC H5'' H 1 4.057 0.04 B 13 DC H6 H 1 7.512 0.04 B 13 DC C1' C 13 85.944 0.20 B 13 DC C2' C 13 40.134 0.20 B 13 DC C4' C 13 84.678 0.20 B 13 DC C5 C 13 97.723 0.20 B 13 DC C5' C 13 63.975 0.20 B 13 DC C6 C 13 142.651 0.20 B 13 DC N4 N 15 99.586 0.20 B 14 DC H1' H 1 6.055 0.04 B 14 DC H2' H 1 2.014 0.04 B 14 DC H2'' H 1 2.340 0.04 B 14 DC H3' H 1 4.936 0.04 B 14 DC H4' H 1 4.118 0.04 B 14 DC H41 H 1 7.108 0.04 B 14 DC H42 H 1 8.245 0.04 B 14 DC H5 H 1 5.612 0.04 B 14 DC H6 H 1 7.509 0.04 B 14 DC C1' C 13 86.084 0.20 B 14 DC C2' C 13 39.656 0.20 B 14 DC C4' C 13 84.943 0.20 B 14 DC C5 C 13 98.306 0.20 B 14 DC C6 C 13 142.651 0.20 B 14 DC N4 N 15 100.405 0.20 B 15 DA H1' H 1 6.369 0.04 B 15 DA H2 H 1 8.007 0.04 B 15 DA H2' H 1 2.723 0.04 B 15 DA H2'' H 1 2.511 0.04 B 15 DA H3' H 1 4.722 0.04 B 15 DA H4' H 1 4.366 0.04 B 15 DA H5' H 1 4.225 0.04 B 15 DA H5'' H 1 4.225 0.04 B 15 DA H8 H 1 8.301 0.04 B 15 DA C1' C 13 85.389 0.20 B 15 DA C2 C 13 154.538 0.20 B 15 DA C2' C 13 41.365 0.20 B 15 DA C4' C 13 86.650 0.20 B 15 DA C5' C 13 67.552 0.20 B 15 DA C8 C 13 141.835 0.20 stop_ save_ save_assigned_chem_shift_list_3 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_3 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 C 16 DT H1' H 1 5.992 0.04 C 16 DT H2' H 1 1.924 0.04 C 16 DT H2'' H 1 2.309 0.04 C 16 DT H3' H 1 5.090 0.04 C 16 DT H4' H 1 4.511 0.04 C 16 DT H5' H 1 4.089 0.04 C 16 DT H5'' H 1 3.698 0.04 C 16 DT H6 H 1 7.322 0.04 C 16 DT H7% H 1 1.580 0.04 C 17 DG H1 H 1 12.645 0.04 C 17 DG H1' H 1 5.447 0.04 C 17 DG H2' H 1 2.779 0.04 C 17 DG H2'' H 1 2.779 0.04 C 17 DG H5' H 1 4.047 0.04 C 17 DG H5'' H 1 4.047 0.04 C 17 DG H8 H 1 7.452 0.04 C 18 DG H1 H 1 12.941 0.04 C 18 DG H1' H 1 5.781 0.04 C 18 DG H2' H 1 3.105 0.04 C 18 DG H2'' H 1 2.814 0.04 C 18 DG H8 H 1 7.618 0.04 C 19 DG H1 H 1 12.869 0.04 C 19 DG H1' H 1 5.964 0.04 C 19 DG H2' H 1 2.511 0.04 C 19 DG H2'' H 1 2.741 0.04 C 19 DG H3' H 1 4.883 0.04 C 19 DG H5' H 1 4.216 0.04 C 19 DG H5'' H 1 4.362 0.04 C 19 DG H8 H 1 7.809 0.04 C 20 DT H1' H 1 5.837 0.04 C 20 DT H2' H 1 2.080 0.04 C 20 DT H2'' H 1 2.443 0.04 C 20 DT H3 H 1 13.448 0.04 C 20 DT H6 H 1 7.145 0.04 C 20 DT H7% H 1 1.257 0.04 C 21 DG H1 H 1 12.319 0.04 C 21 DG H1' H 1 5.964 0.04 C 21 DG H2' H 1 2.737 0.04 C 21 DG H2'' H 1 2.507 0.04 C 21 DG H8 H 1 7.732 0.04 C 22 DT H1' H 1 5.947 0.04 C 22 DT H2' H 1 2.244 0.04 C 22 DT H2'' H 1 2.555 0.04 C 22 DT H3 H 1 13.414 0.04 C 22 DT H3' H 1 4.930 0.04 C 22 DT H5' H 1 4.204 0.04 C 22 DT H5'' H 1 4.204 0.04 C 22 DT H6 H 1 7.305 0.04 C 22 DT H7% H 1 1.229 0.04 C 23 DG H1 H 1 12.318 0.04 C 23 DG H1' H 1 5.964 0.04 C 23 DG H2' H 1 2.740 0.04 C 23 DG H2'' H 1 2.509 0.04 C 23 DG H3' H 1 4.896 0.04 C 23 DG H5' H 1 4.205 0.04 C 23 DG H5'' H 1 4.362 0.04 C 23 DG H8 H 1 7.738 0.04 C 24 DT H1' H 1 5.839 0.04 C 24 DT H2' H 1 2.062 0.04 C 24 DT H2'' H 1 2.445 0.04 C 24 DT H3 H 1 13.511 0.04 C 24 DT H6 H 1 7.145 0.04 C 24 DT H7% H 1 1.266 0.04 C 25 DG H1 H 1 12.260 0.04 C 25 DG H1' H 1 5.949 0.04 C 25 DG H2' H 1 2.511 0.04 C 25 DG H2'' H 1 2.751 0.04 C 25 DG H3' H 1 4.901 0.04 C 25 DG H5' H 1 4.363 0.04 C 25 DG H5'' H 1 4.204 0.04 C 25 DG H8 H 1 7.814 0.04 C 26 DT H1' H 1 6.147 0.04 C 26 DT H2' H 1 2.258 0.04 C 26 DT H2'' H 1 2.659 0.04 C 26 DT H3 H 1 14.253 0.04 C 26 DT H6 H 1 7.286 0.04 C 26 DT H7% H 1 1.146 0.04 C 27 DT H1' H 1 6.277 0.04 C 27 DT H2' H 1 2.712 0.04 C 27 DT H2'' H 1 2.290 0.04 C 27 DT H3 H 1 14.035 0.04 C 27 DT H3' H 1 4.982 0.04 C 27 DT H5'' H 1 4.092 0.04 C 27 DT H6 H 1 7.509 0.04 C 27 DT H7% H 1 1.575 0.04 C 28 DT H1' H 1 6.277 0.04 C 28 DT H2' H 1 2.705 0.04 C 28 DT H3 H 1 13.942 0.04 C 28 DT H3' H 1 4.984 0.04 C 28 DT H5'' H 1 4.387 0.04 C 28 DT H6 H 1 7.521 0.04 C 28 DT H7% H 1 1.701 0.04 C 29 DT H1' H 1 6.274 0.04 C 29 DT H2' H 1 2.718 0.04 C 29 DT H2'' H 1 2.259 0.04 C 29 DT H3 H 1 14.037 0.04 C 29 DT H3' H 1 4.982 0.04 C 29 DT H5'' H 1 4.221 0.04 C 29 DT H6 H 1 7.524 0.04 C 29 DT H7% H 1 1.699 0.04 C 30 DT H1' H 1 6.332 0.04 C 30 DT H2' H 1 2.319 0.04 C 30 DT H2'' H 1 2.316 0.04 C 30 DT H3 H 1 14.076 0.04 C 30 DT H3' H 1 4.660 0.04 C 30 DT H4' H 1 4.283 0.04 C 30 DT H5' H 1 4.089 0.04 C 30 DT H5'' H 1 4.089 0.04 C 30 DT H6 H 1 7.516 0.04 C 30 DT H7% H 1 1.744 0.04 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 23 GLN HE21 C 21 DG H2' 1.0 3.0 4.4 2 2 A 23 GLN HE21 C 22 DT H3' 1.0 3.2 4.8 3 3 A 23 GLN HE21 C 22 DT H2' 1.0 3.1 4.7 4 4 A 23 GLN HE21 C 22 DT H5' 1.0 3.0 4.6 5 5 A 23 GLN HE21 C 22 DT H5'' 1.0 3.0 4.6 6 6 A 24 PRO HA B 5 DA H3' 1.0 4.3 6.5 7 7 A 24 PRO HD2 B 6 DC H5 1.0 3.8 5.8 8 8 B 6 DC H5 A 24 PRO HB2 1.0 3.8 5.8 9 9 A 25 ARG HH2x B 6 DC H2' 1.0 3.7 5.5 10 10 A 25 ARG HH2y B 8 DC H5 1.0 3.5 5.3 11 11 A 25 ARG HE B 6 DC H4' 1.0 4.6 6.8 12 12 A 70 ASN HD21 C 17 DG H5'' 1.0 2.5 4.3 13 13 A 70 ASN HD21 C 17 DG H5' 1.0 2.7 4.1 14 14 C 17 DG H5' A 71 ARG HA 1.0 2.1 3.5 15 15 A 71 ARG HG2 C 18 DG H2'' 1.0 3.8 5.2 16 16 A 72 PRO HD2 C 18 DG H8 1.0 2.8 4.2 17 17 A 72 PRO HA C 16 DT H2' 1.0 3.8 5.2 18 18 A 72 PRO HB2 C 16 DT H5' 1.0 2.5 4.5 19 19 C 16 DT H2' A 72 PRO HB2 1.0 2.5 4.5 20 20 C 17 DG H5' A 72 PRO HD2 1.0 3.0 5.0 21 21 C 18 DG H2'' A 72 PRO HD3 1.0 4.3 5.7 22 22 A 74 TRP HB2 B 15 DA H2 1.0 2.3 3.7 23 23 B 15 DA H2 A 74 TRP HB3 1.0 2.3 3.7 24 24 B 15 DA H2 A 74 TRP HD1 1.0 2.3 3.7 25 25 A 74 TRP HB2 B 15 DA H1' 1.0 4.0 6.0 26 26 B 15 DA H2 A 74 TRP HZ2 1.0 4.0 6.0 27 27 A 74 TRP H C 16 DT H3' 1.0 4.3 5.7 28 28 C 16 DT H5' A 74 TRP HZ3 1.0 2.8 4.2 29 29 C 16 DT H2' A 74 TRP HZ3 1.0 2.4 3.6 30 30 A 74 TRP HZ2 C 16 DT H3' 1.0 3.4 5.2 31 31 A 74 TRP HZ2 C 16 DT H5'' 1.0 3.3 4.7 32 32 A 74 TRP HH2 C 16 DT H7% 1.0 3.0 5.0 33 33 A 74 TRP HE3 C 17 DG H2x 1.0 3.0 5.0 34 34 A 74 TRP HE3 C 17 DG H2y 1.0 3.0 5.0 35 35 A 79 ILE HD1% C 19 DG H5'' 1.0 2.7 4.7 36 36 A 86 LYS HG2 C 29 DT H5' 1.0 2.9 4.3 37 37 A 88 ARG HG2 C 30 DT H2' 1.0 3.4 5.2 38 38 A 88 ARG HG2 C 30 DT H2'' 1.0 3.4 5.2 39 39 A 88 ARG HE C 30 DT H3' 1.0 2.4 3.6 40 40 C 30 DT H2' A 88 ARG HD2 1.0 3.0 4.6 41 41 C 30 DT H2'' A 88 ARG HD2 1.0 3.0 4.6 42 42 A 88 ARG HD3 C 30 DT H4' 1.0 3.4 5.0 43 43 B 5 DA H3' A 89 ILE HD1% 1.0 2.7 4.3 44 44 A 89 ILE HD1% B 5 DA H5' 1.0 1.7 3.3 45 45 A 89 ILE HB C 30 DT H5' 1.0 2.9 4.3 46 46 A 89 ILE HB C 30 DT H5'' 1.0 2.9 4.3 47 47 A 89 ILE HB C 30 DT H5' 1.0 2.9 4.3 48 48 A 89 ILE HB C 30 DT H5'' 1.0 2.9 4.3 49 49 A 89 ILE HB C 30 DT H1' 1.0 4.6 6.8 50 50 C 30 DT H4' A 89 ILE HD1% 1.0 3.3 4.9 51 51 A 93 GLU HG2 B 3 DA H5' 1.0 2.9 4.3 52 52 A 50 ARG H A 50 ARG HD3 1.0 3.0 4.6 53 53 A 10 ASP HB3 A 15 GLU HA 1.0 3.0 4.4 54 54 A 26 GLN HA A 25 ARG H 1.0 3.3 4.9 55 55 A 54 LYS HE3 A 52 THR HB 1.0 2.5 3.7 56 56 A 91 LYS H A 90 GLU HG3 1.0 2.7 4.1 57 57 A 23 GLN H A 23 GLN HG3 1.0 2.3 3.5 58 58 A 43 ASP H A 61 TRP H 1.0 3.7 5.5 59 59 A 40 ALA H A 61 TRP HD1 1.0 3.2 4.8 60 60 A 92 LEU H A 53 LYS HB3 1.0 2.6 3.8 61 61 A 87 GLU HA A 88 ARG HG3 1.0 4.2 6.2 62 62 A 33 ASN HD22 A 30 LYS H 1.0 3.4 5.0 63 63 A 27 ALA H A 23 GLN HB3 1.0 2.9 4.3 64 64 A 88 ARG HD2 A 57 VAL HG1% 1.0 3.4 5.0 65 65 A 15 GLU HB2 A 48 ARG HE 1.0 2.5 3.7 66 66 A 33 ASN HD22 A 30 LYS HB3 1.0 2.4 3.6 67 67 A 28 ALA HA A 32 ALA HB% 1.0 3.5 5.3 68 68 A 58 PHE H A 87 GLU HB3 1.0 2.9 4.3 69 69 A 64 ILE HG2% A 80 SER H 1.0 2.8 4.2 70 70 A 48 ARG HE A 15 GLU HB3 1.0 2.5 3.7 71 71 A 50 ARG HD3 A 7 VAL HG2% 1.0 3.0 4.4 72 72 A 50 ARG HD2 A 7 VAL HG1% 1.0 3.0 4.4 73 73 A 66 ASP HB2 A 79 ILE HG13 1.0 2.3 3.5 74 73 A 79 ILE HG12 A 66 ASP HB2 1.0 2.3 3.5 75 74 A 19 PHE H A 19 PHE HE% 1.0 3.1 4.7 76 75 A 93 GLU HA A 92 LEU HD1% 1.0 3.1 4.7 77 75 A 92 LEU HD2% A 93 GLU HA 1.0 3.1 4.7 78 76 A 7 VAL HG1% A 17 GLY HA3 1.0 3.9 5.9 79 77 A 83 PHE H A 83 PHE HE% 1.0 3.4 5.2 80 78 A 18 VAL HG1% A 20 THR HA 1.0 3.9 5.9 81 79 A 49 GLU HA A 47 LEU HD1% 1.0 3.8 5.8 82 79 A 47 LEU HD2% A 49 GLU HA 1.0 3.8 5.8 83 80 A 49 GLU H A 6 PHE HD% 1.0 2.9 4.3 84 81 A 83 PHE HE% A 81 LYS HB3 1.0 2.6 3.8 85 82 A 58 PHE HD% A 45 ILE HD1% 1.0 3.1 4.7 86 83 A 58 PHE HD% A 57 VAL HG2% 1.0 3.5 5.3 87 84 A 57 VAL HG1% A 58 PHE HD% 1.0 3.5 5.3 88 85 A 19 PHE HD% A 8 LEU HD1% 1.0 3.0 4.6 89 85 A 8 LEU HD2% A 19 PHE HD% 1.0 3.0 4.6 90 86 A 83 PHE HE% A 82 PRO HA 1.0 2.9 4.3 91 87 A 21 GLY H A 20 THR HG2% 1.0 3.0 4.6 92 88 A 5 ASN H A 4 ARG HB3 1.0 2.5 3.7 93 89 A 26 GLN HG3 A 29 LEU HD1% 1.0 3.9 5.9 94 89 A 26 GLN HG3 A 29 LEU HD2% 1.0 3.9 5.9 95 90 A 61 TRP HD1 A 39 LYS HA 1.0 2.4 3.6 96 91 A 50 ARG HD2 A 6 PHE HA 1.0 3.5 5.3 97 92 A 5 ASN H A 4 ARG HA 1.0 2.2 3.2 98 93 A 52 THR HB A 54 LYS HG2 1.0 2.5 3.7 99 94 A 52 THR HB A 54 LYS HE2 1.0 2.5 3.7 100 95 A 7 VAL HG2% A 50 ARG HD2 1.0 3.0 4.4 101 96 A 87 GLU H A 88 ARG H 1.0 2.9 4.3 102 97 A 87 GLU HA A 87 GLU HB3 1.0 3.0 4.6 103 98 A 39 LYS HG3 A 63 GLU HA 1.0 2.5 3.7 104 99 A 60 ALA H A 43 ASP HB2 1.0 3.2 4.8 105 100 A 10 ASP H A 16 HIS HD2 1.0 2.8 4.2 106 101 A 54 LYS HE3 A 89 ILE HG2% 1.0 3.2 4.8 107 102 A 81 LYS H A 62 LYS HA 1.0 3.8 5.6 108 103 A 81 LYS H A 64 ILE H 1.0 3.2 4.8 109 104 A 93 GLU HG2 A 93 GLU H 1.0 2.4 3.6 110 105 A 64 ILE H A 80 SER HA 1.0 3.1 4.7 111 106 A 81 LYS H A 63 GLU H 1.0 3.0 4.4 112 107 A 40 ALA HA A 39 LYS HB3 1.0 2.7 4.1 113 108 A 6 PHE HZ A 4 ARG HD3 1.0 3.0 4.6 114 109 A 36 SER HB2 A 41 ASN HB3 1.0 2.9 4.3 115 110 A 41 ASN HB3 A 36 SER HB3 1.0 2.9 4.3 116 111 A 66 ASP HB3 A 67 ALA H 1.0 2.4 3.6 117 112 A 4 ARG HA A 4 ARG HD3 1.0 3.1 4.7 118 113 A 57 VAL HG2% A 46 ARG HD3 1.0 2.7 4.1 119 114 A 47 LEU HA A 8 LEU HD1% 1.0 3.2 4.8 120 114 A 8 LEU HD2% A 47 LEU HA 1.0 3.2 4.8 121 115 A 89 ILE HG2% A 55 VAL H 1.0 3.6 5.4 122 116 A 89 ILE HG2% A 56 HIS HD2 1.0 3.6 5.4 123 117 A 54 LYS HE2 A 89 ILE HG2% 1.0 3.2 4.8 124 118 A 89 ILE HB A 89 ILE HG2% 1.0 3.2 4.8 125 119 A 32 ALA HB% A 84 VAL HA 1.0 3.0 4.6 126 120 A 46 ARG H A 31 ALA HB% 1.0 4.0 6.0 127 121 A 88 ARG HE A 89 ILE HG2% 1.0 4.6 6.8 128 122 A 63 GLU H A 83 PHE HD% 1.0 2.9 4.3 129 123 A 7 VAL HG2% A 50 ARG HB3 1.0 2.6 4.0 130 124 A 64 ILE HG2% A 65 VAL H 1.0 2.5 3.7 131 125 A 83 PHE HD% A 63 GLU HG2 1.0 2.8 4.2 132 126 A 47 LEU HA A 8 LEU HD1% 1.0 3.3 4.9 133 126 A 8 LEU HD2% A 47 LEU HA 1.0 3.3 4.9 134 127 A 83 PHE HE% A 62 LYS HA 1.0 3.3 4.9 135 128 A 83 PHE HE% A 63 GLU HG2 1.0 2.7 4.1 136 129 A 83 PHE HE% A 81 LYS H 1.0 3.5 5.3 137 130 A 32 ALA HB% A 28 ALA HB% 1.0 3.9 5.9 138 131 A 62 LYS HA A 83 PHE HD% 1.0 2.9 4.3 139 132 A 83 PHE HE% A 63 GLU H 1.0 2.9 4.3 140 133 A 57 VAL HG2% A 46 ARG HD2 1.0 2.7 4.1 141 134 A 84 VAL HA A 85 LYS H 1.0 2.5 3.7 142 135 A 30 LYS HB3 A 30 LYS HG2 1.0 2.7 4.1 143 136 A 61 TRP HZ2 A 83 PHE HB3 1.0 2.9 4.3 144 137 A 40 ALA HA A 41 ASN H 1.0 2.5 3.7 145 138 A 10 ASP HA A 11 GLU HA 1.0 2.7 4.1 146 139 A 5 ASN HB3 A 5 ASN HA 1.0 2.6 3.8 147 140 A 30 LYS H A 30 LYS HB2 1.0 2.6 3.8 148 141 A 48 ARG H A 48 ARG HG3 1.0 3.6 5.4 149 142 A 71 ARG HA A 71 ARG H 1.0 2.6 4.0 150 143 A 4 ARG H A 4 ARG HE 1.0 3.3 4.9 151 144 A 30 LYS HB2 A 31 ALA H 1.0 2.3 3.5 152 145 A 47 LEU HB2 A 58 PHE HZ 1.0 2.6 4.0 153 146 A 7 VAL HG1% A 7 VAL H 1.0 3.1 4.7 154 147 A 56 HIS HD2 A 56 HIS HA 1.0 2.8 4.2 155 148 A 8 LEU H A 18 VAL HA 1.0 2.1 3.1 156 149 A 19 PHE H A 7 VAL HA 1.0 3.0 4.4 157 150 A 4 ARG H A 22 LYS HA 1.0 3.0 4.4 158 151 A 5 ASN H A 51 GLY HA2 1.0 3.0 4.4 159 152 A 60 ALA H A 44 ILE HA 1.0 3.0 4.4 160 153 A 45 ILE H A 59 LYS HA 1.0 3.0 4.4 161 154 A 47 LEU H A 57 VAL HA 1.0 3.0 4.4 162 155 A 56 HIS H A 48 ARG HA 1.0 3.0 4.4 163 156 A 83 PHE H A 62 LYS HA 1.0 3.0 4.4 164 157 A 85 LYS H A 60 ALA HA 1.0 3.0 4.4 165 158 A 88 ARG H A 58 PHE HA 1.0 3.0 4.4 166 159 A 56 HIS HA A 90 GLU H 1.0 3.0 4.4 167 160 A 92 LEU H A 54 LYS HA 1.0 2.6 4.2 168 161 A 50 ARG H A 6 PHE HA 1.0 2.6 4.2 169 162 A 49 GLU HA A 7 VAL H 1.0 2.6 4.2 170 163 A 31 ALA H A 29 LEU HB2 1.0 3.2 4.8 171 164 A 39 LYS HG3 A 63 GLU HB3 1.0 3.3 4.9 172 165 A 93 GLU HA A 93 GLU HG3 1.0 2.0 3.0 173 166 A 6 PHE H A 5 ASN HB2 1.0 3.0 4.4 174 167 A 85 LYS H A 58 PHE HB2 1.0 3.0 4.4 175 168 A 23 GLN H A 23 GLN HG2 1.0 2.3 3.5 176 169 A 84 VAL HA A 84 VAL HG1% 1.0 3.1 4.7 177 170 A 67 ALA HA A 78 LYS HB2 1.0 2.7 4.1 178 171 A 43 ASP H A 60 ALA HA 1.0 3.8 5.8 179 172 A 82 PRO HA A 62 LYS H 1.0 3.4 5.2 180 173 A 62 LYS HA A 63 GLU HB3 1.0 3.5 5.3 181 174 A 84 VAL HG2% A 84 VAL HB 1.0 2.8 4.2 182 175 A 28 ALA HB% A 25 ARG HA 1.0 2.8 4.2 183 176 A 50 ARG H A 7 VAL HG2% 1.0 3.4 5.0 184 177 A 36 SER H A 35 GLY HA3 1.0 2.2 3.2 185 178 A 23 GLN H A 22 LYS H 1.0 2.8 4.2 186 179 A 2 ASN HD22 A 3 THR H 1.0 3.2 4.8 187 180 A 88 ARG HE A 88 ARG HG3 1.0 3.3 4.9 188 181 A 39 LYS HA A 64 ILE HG13 1.0 2.5 3.7 189 182 A 8 LEU HB3 A 8 LEU HD1% 1.0 2.6 3.8 190 182 A 8 LEU HD2% A 8 LEU HB3 1.0 2.6 3.8 191 183 A 83 PHE HD% A 63 GLU HG3 1.0 2.8 4.2 192 184 A 44 ILE H A 44 ILE HG2% 1.0 2.8 4.2 193 185 A 34 ARG H A 34 ARG HG3 1.0 2.2 3.2 194 186 A 7 VAL HG1% A 16 HIS H 1.0 3.4 5.0 195 187 A 48 ARG HA A 55 VAL HG1% 1.0 3.0 4.6 196 188 A 31 ALA HB% A 32 ALA H 1.0 2.9 4.3 197 189 A 19 PHE H A 18 VAL HB 1.0 2.7 4.1 198 190 A 83 PHE HE% A 63 GLU HG3 1.0 2.7 4.1 199 191 A 29 LEU H A 29 LEU HD1% 1.0 2.8 4.2 200 191 A 29 LEU HD2% A 29 LEU H 1.0 2.8 4.2 201 192 A 9 ARG HB3 A 46 ARG HG2 1.0 1.7 2.5 202 193 A 93 GLU H A 93 GLU HB2 1.0 2.1 3.1 203 194 A 92 LEU H A 53 LYS HB2 1.0 2.6 3.8 204 195 A 39 LYS HG3 A 63 GLU HB3 1.0 3.4 5.2 205 196 A 89 ILE HD1% A 56 HIS HA 1.0 3.5 5.3 206 197 A 12 ASP H A 12 ASP HB3 1.0 2.1 3.1 207 198 A 12 ASP H A 12 ASP HB2 1.0 2.1 3.1 208 199 A 7 VAL HG1% A 15 GLU HG3 1.0 3.7 5.5 209 200 A 28 ALA HB% A 84 VAL HB 1.0 3.2 4.8 210 201 A 4 ARG HD3 A 4 ARG H 1.0 2.6 4.0 211 202 A 44 ILE H A 43 ASP HB3 1.0 2.2 3.4 212 203 A 46 ARG HD3 A 46 ARG HE 1.0 2.6 3.8 213 204 A 3 THR H A 3 THR HB 1.0 2.0 3.0 214 205 A 61 TRP HD1 A 61 TRP HB3 1.0 2.7 4.1 215 206 A 4 ARG HA A 5 ASN HD21 1.0 3.1 4.7 216 207 A 52 THR HA A 52 THR HG1 1.0 3.1 4.7 217 208 A 19 PHE H A 20 THR H 1.0 3.2 4.8 218 209 A 26 GLN HA A 26 GLN H 1.0 2.7 4.1 219 210 A 14 ASN HD2x A 14 ASN HB2 1.0 2.5 3.7 220 211 A 69 LYS H A 69 LYS HA 1.0 2.2 3.4 221 212 A 55 VAL H A 55 VAL HB 1.0 2.6 3.8 222 213 A 27 ALA H A 28 ALA H 1.0 2.6 4.0 223 214 A 13 GLY H A 13 GLY HA3 1.0 2.3 3.5 224 215 A 92 LEU HB3 A 92 LEU HA 1.0 2.2 3.4 225 216 A 15 GLU HA A 15 GLU HG2 1.0 2.8 4.2 226 217 A 6 PHE HA A 6 PHE HB2 1.0 3.2 4.8 227 218 A 6 PHE HA A 19 PHE HB2 1.0 3.2 4.8 228 219 A 78 LYS H A 78 LYS HA 1.0 2.4 3.6 229 220 A 41 ASN HD21 A 41 ASN HB2 1.0 2.5 3.7 230 221 A 88 ARG H A 89 ILE H 1.0 3.7 5.5 231 222 A 88 ARG H A 57 VAL H 1.0 3.1 4.7 232 223 A 36 SER H A 36 SER HA 1.0 2.2 3.4 233 224 A 77 GLU H A 77 GLU HA 1.0 2.3 3.5 234 225 A 29 LEU HB2 A 28 ALA H 1.0 3.2 4.8 235 226 A 14 ASN HB2 A 14 ASN H 1.0 2.4 3.6 236 227 A 37 GLY H A 38 THR H 1.0 2.8 4.2 237 228 A 19 PHE H A 20 THR HA 1.0 4.1 6.1 238 229 A 2 ASN HD22 A 2 ASN HA 1.0 3.3 4.9 239 230 A 15 GLU HA A 15 GLU HB2 1.0 2.5 3.7 240 231 A 15 GLU HA A 15 GLU HB3 1.0 2.5 3.7 241 232 A 39 LYS HA A 38 THR HA 1.0 3.0 4.6 242 233 A 43 ASP H A 43 ASP HB2 1.0 2.6 3.8 243 234 A 43 ASP H A 43 ASP HB3 1.0 2.6 3.8 244 235 A 16 HIS HD2 A 16 HIS HB2 1.0 2.7 4.1 245 236 A 41 ASN HB3 A 41 ASN H 1.0 2.4 3.6 246 237 A 14 ASN H A 13 GLY HA2 1.0 2.7 4.1 247 238 A 5 ASN H A 6 PHE H 1.0 3.2 4.8 248 239 A 2 ASN HA A 2 ASN HB2 1.0 2.4 3.6 249 240 A 40 ALA H A 39 LYS HA 1.0 2.6 4.0 250 241 A 30 LYS H A 29 LEU HA 1.0 3.4 5.0 251 242 A 40 ALA H A 40 ALA HA 1.0 2.2 3.4 252 243 A 42 PRO HGy A 42 PRO HD3 1.0 2.5 3.7 253 244 A 12 ASP H A 12 ASP HA 1.0 2.3 3.5 254 245 A 15 GLU HA A 15 GLU H 1.0 2.6 3.8 255 246 A 13 GLY H A 13 GLY HA2 1.0 2.4 3.6 256 247 A 46 ARG HG3 A 46 ARG HB3 1.0 2.0 3.0 257 248 A 46 ARG HD3 A 46 ARG HG3 1.0 2.6 3.8 258 249 A 44 ILE H A 43 ASP HA 1.0 2.0 3.0 259 250 A 61 TRP HD1 A 82 PRO HA 1.0 5.4 8.0 260 251 A 17 GLY HA3 A 18 VAL H 1.0 2.2 3.2 261 252 A 11 GLU H A 11 GLU HB2 1.0 2.3 3.5 262 253 A 88 ARG HE A 88 ARG HD2 1.0 2.7 4.1 263 254 A 20 THR H A 19 PHE HA 1.0 2.2 3.2 264 255 A 74 TRP HB3 A 74 TRP HA 1.0 2.4 3.6 265 256 A 78 LYS HA A 79 ILE H 1.0 2.2 3.4 266 257 A 74 TRP HB3 A 74 TRP H 1.0 2.7 4.1 267 258 A 42 PRO HD2 A 41 ASN HA 1.0 2.4 3.6 268 259 A 70 ASN HD21 A 70 ASN HD22 1.0 1.7 2.4 269 260 A 16 HIS H A 16 HIS HA 1.0 2.5 3.7 270 261 A 46 ARG HD2 A 46 ARG HB2 1.0 3.0 4.4 271 262 A 26 GLN HG3 A 26 GLN HE22 1.0 3.2 4.8 272 263 A 26 GLN HE22 A 26 GLN HG2 1.0 3.2 4.8 273 264 A 76 PRO HD3 A 76 PRO HA 1.0 2.7 4.1 274 265 A 76 PRO HA A 76 PRO HD2 1.0 2.7 4.1 275 266 A 43 ASP HB2 A 32 ALA HA 1.0 3.9 5.9 276 267 A 48 ARG H A 48 ARG HB3 1.0 3.0 4.4 277 268 A 74 TRP HA A 74 TRP HE1 1.0 3.8 5.6 278 269 A 20 THR H A 20 THR HB 1.0 2.6 4.0 279 270 A 93 GLU HG3 A 93 GLU HB2 1.0 2.0 3.0 280 271 A 93 GLU HG2 A 93 GLU HB2 1.0 2.0 3.0 281 272 A 70 ASN HA A 70 ASN HB3 1.0 2.0 3.0 282 273 A 70 ASN HA A 70 ASN HB2 1.0 2.0 3.0 283 274 A 74 TRP H A 74 TRP HA 1.0 2.4 3.6 284 275 A 30 LYS HG2 A 30 LYS HA 1.0 2.6 3.8 285 276 A 44 ILE HG2% A 44 ILE HB 1.0 2.2 3.4 286 277 A 74 TRP HB2 A 74 TRP HE1 1.0 3.9 5.9 287 278 A 93 GLU HB2 A 93 GLU HB3 1.0 1.7 2.5 288 279 A 43 ASP H A 42 PRO HD3 1.0 3.9 5.9 289 280 A 48 ARG HE A 48 ARG HD2 1.0 3.1 4.7 290 281 A 16 HIS H A 16 HIS HB3 1.0 2.8 4.2 291 282 A 30 LYS H A 28 ALA HB% 1.0 4.6 6.8 292 283 A 90 GLU H A 90 GLU HB3 1.0 2.8 4.2 293 284 A 48 ARG HE A 48 ARG HB2 1.0 2.6 4.0 294 285 A 28 ALA HB% A 84 VAL HB 1.0 4.0 6.0 295 286 A 72 PRO HA A 73 ALA H 1.0 2.1 3.1 296 287 A 82 PRO HA A 82 PRO HD2 1.0 2.7 4.1 297 288 A 82 PRO HA A 82 PRO HD3 1.0 2.7 4.1 298 289 A 14 ASN HB2 A 14 ASN HD22 1.0 2.6 3.8 299 290 A 8 LEU H A 8 LEU HB2 1.0 2.6 3.8 300 291 A 30 LYS HG2 A 30 LYS HB2 1.0 2.7 4.1 301 292 A 12 ASP HB2 A 14 ASN HD22 1.0 2.6 3.8 302 293 A 27 ALA H A 26 GLN HB2 1.0 2.8 4.2 303 294 A 72 PRO HB2 A 74 TRP HA 1.0 3.8 5.8 304 295 A 65 VAL H A 65 VAL HA 1.0 2.3 3.5 305 296 A 10 ASP HB3 A 10 ASP H 1.0 2.6 4.0 306 297 A 33 ASN H A 33 ASN HA 1.0 2.6 3.8 307 298 A 6 PHE H A 6 PHE HB3 1.0 3.1 4.7 308 299 A 12 ASP HA A 11 GLU HB3 1.0 3.9 5.9 309 300 A 12 ASP HA A 11 GLU HB2 1.0 3.9 5.9 310 301 A 61 TRP H A 61 TRP HZ3 1.0 3.4 5.0 311 302 A 28 ALA HB% A 31 ALA H 1.0 3.8 5.8 312 303 A 57 VAL H A 56 HIS HB2 1.0 3.0 4.6 313 304 A 30 LYS H A 31 ALA HA 1.0 3.8 5.8 314 305 A 60 ALA HA A 61 TRP HB3 1.0 3.9 5.9 315 306 A 83 PHE H A 83 PHE HB3 1.0 3.0 4.4 316 307 A 2 ASN HD22 A 2 ASN HB2 1.0 2.7 4.1 317 308 A 87 GLU HB3 A 87 GLU H 1.0 2.7 4.1 318 309 A 61 TRP HZ2 A 61 TRP HE1 1.0 3.0 4.4 319 310 A 87 GLU HA A 88 ARG H 1.0 2.8 4.2 320 311 A 69 LYS HA A 70 ASN H 1.0 2.2 3.4 321 312 A 23 GLN HE21 A 23 GLN HB3 1.0 3.0 4.6 322 313 A 23 GLN HE21 A 23 GLN HB2 1.0 3.0 4.6 323 314 A 15 GLU HA A 14 ASN HB2 1.0 3.5 5.3 324 315 A 41 ASN H A 41 ASN HB2 1.0 2.3 3.5 325 316 A 69 LYS HA A 71 ARG HE 1.0 3.4 5.2 326 317 A 89 ILE H A 89 ILE HA 1.0 2.0 3.0 327 318 A 93 GLU HA A 93 GLU HB3 1.0 1.9 2.9 328 319 A 11 GLU HA A 11 GLU H 1.0 2.4 3.6 329 320 A 41 ASN HD21 A 41 ASN HD22 1.0 1.4 2.2 330 321 A 92 LEU HA A 92 LEU HB2 1.0 2.2 3.4 331 322 A 15 GLU HA A 16 HIS HA 1.0 3.1 4.7 332 323 A 40 ALA HA A 40 ALA HB% 1.0 2.1 3.1 333 324 A 22 LYS H A 22 LYS HB3 1.0 2.8 4.2 334 325 A 22 LYS H A 22 LYS HB2 1.0 2.8 4.2 335 326 A 23 GLN H A 23 GLN HA 1.0 2.6 3.8 336 327 A 38 THR H A 38 THR HA 1.0 2.7 4.1 337 328 A 43 ASP HA A 44 ILE HB 1.0 2.6 3.8 338 329 A 18 VAL H A 17 GLY HA2 1.0 2.2 3.2 339 330 A 34 ARG H A 34 ARG HA 1.0 2.3 3.5 340 331 A 31 ALA H A 30 LYS HA 1.0 2.9 4.3 341 332 A 30 LYS H A 31 ALA H 1.0 2.7 4.1 342 333 A 91 LYS H A 90 GLU H 1.0 3.1 4.7 343 334 A 41 ASN HB2 A 41 ASN HA 1.0 2.2 3.4 344 335 A 16 HIS HD2 A 16 HIS HA 1.0 3.0 4.6 345 336 A 43 ASP H A 42 PRO HBy 1.0 3.0 4.4 346 337 A 5 ASN HD21 A 5 ASN HD22 1.0 1.8 2.8 347 338 A 66 ASP HB2 A 66 ASP HB3 1.0 1.9 2.9 348 339 A 52 THR HA A 52 THR HG2% 1.0 2.6 4.0 349 340 A 16 HIS HA A 16 HIS HB3 1.0 2.6 3.8 350 341 A 41 ASN HA A 41 ASN HD22 1.0 3.0 4.4 351 342 A 30 LYS H A 30 LYS HA 1.0 2.7 4.1 352 343 A 23 GLN H A 22 LYS HB2 1.0 3.0 4.4 353 344 A 54 LYS HA A 54 LYS HB2 1.0 2.3 3.5 354 345 A 41 ASN HB3 A 42 PRO HD2 1.0 3.8 5.8 355 346 A 17 GLY HA2 A 17 GLY H 1.0 2.3 3.5 356 347 A 29 LEU H A 29 LEU HA 1.0 2.9 4.3 357 348 A 20 THR HA A 21 GLY HA2 1.0 3.7 5.5 358 349 A 93 GLU HA A 93 GLU H 1.0 2.1 3.1 359 350 A 81 LYS HB3 A 81 LYS H 1.0 2.7 4.1 360 351 A 18 VAL HG1% A 18 VAL HB 1.0 2.3 3.5 361 352 A 91 LYS H A 92 LEU H 1.0 3.0 4.4 362 353 A 51 GLY H A 50 ARG HB2 1.0 3.0 4.6 363 354 A 46 ARG H A 46 ARG HB3 1.0 2.6 4.0 364 355 A 92 LEU H A 92 LEU HB2 1.0 2.4 3.6 365 356 A 6 PHE HA A 50 ARG HA 1.0 3.7 5.5 366 357 A 7 VAL H A 6 PHE HB2 1.0 3.4 5.0 367 358 A 41 ASN HB3 A 41 ASN HA 1.0 2.2 3.4 368 359 A 82 PRO HA A 83 PHE HB3 1.0 3.8 5.8 369 360 A 27 ALA HB% A 27 ALA HA 1.0 2.6 4.0 370 361 A 70 ASN HA A 70 ASN H 1.0 2.1 3.1 371 362 A 2 ASN HD22 A 2 ASN HD21 1.0 1.7 2.2 372 363 A 7 VAL HG2% A 7 VAL HB 1.0 2.5 3.7 373 364 A 26 GLN HG2 A 26 GLN HE21 1.0 2.5 3.7 374 365 A 29 LEU HB2 A 29 LEU HD1% 1.0 2.4 3.6 375 365 A 29 LEU HD2% A 29 LEU HB2 1.0 2.4 3.6 376 366 A 16 HIS HD2 A 10 ASP HA 1.0 2.7 4.1 377 367 A 46 ARG HG2 A 45 ILE HA 1.0 2.2 3.4 378 368 A 46 ARG HG3 A 46 ARG HA 1.0 2.6 4.0 379 369 A 32 ALA H A 32 ALA HA 1.0 2.6 3.8 380 370 A 34 ARG HB3 A 34 ARG HD3 1.0 2.4 3.6 381 371 A 77 GLU HA A 77 GLU HB3 1.0 2.1 3.1 382 372 A 77 GLU HA A 77 GLU HB2 1.0 2.1 3.1 383 373 A 26 GLN H A 28 ALA H 1.0 3.2 4.8 384 374 A 65 VAL H A 66 ASP H 1.0 3.2 4.8 385 375 A 83 PHE H A 82 PRO HD3 1.0 3.8 5.6 386 376 A 5 ASN HB2 A 5 ASN HD22 1.0 2.6 4.0 387 377 A 61 TRP HZ3 A 61 TRP HE3 1.0 2.0 3.0 388 378 A 36 SER HB2 A 36 SER HA 1.0 2.0 3.0 389 379 A 36 SER HB3 A 36 SER HA 1.0 2.0 3.0 390 380 A 28 ALA H A 27 ALA HA 1.0 3.4 5.2 391 381 A 61 TRP HE1 A 39 LYS HG2 1.0 3.7 5.5 392 382 A 71 ARG HE A 71 ARG HH11 1.0 3.5 5.3 393 383 A 71 ARG HE A 71 ARG HH12 1.0 3.5 5.3 394 384 A 34 ARG HG3 A 34 ARG HD2 1.0 2.0 3.0 395 385 A 34 ARG HG3 A 34 ARG HD3 1.0 2.0 3.0 396 386 A 4 ARG HA A 5 ASN HD22 1.0 3.3 4.9 397 387 A 5 ASN H A 4 ARG H 1.0 3.1 4.7 398 388 A 7 VAL HA A 7 VAL HB 1.0 2.2 3.4 399 389 A 20 THR HA A 20 THR HG2% 1.0 2.8 4.2 400 390 A 32 ALA H A 31 ALA HA 1.0 3.0 4.6 401 391 A 74 TRP HB3 A 74 TRP HE1 1.0 3.6 5.4 402 392 A 5 ASN HB3 A 5 ASN HD22 1.0 2.6 4.0 403 393 A 52 THR HB A 52 THR H 1.0 2.6 4.0 404 394 A 28 ALA HA A 28 ALA H 1.0 2.8 4.2 405 395 A 84 VAL HA A 84 VAL HG2% 1.0 2.8 4.2 406 396 A 73 ALA HB% A 73 ALA HA 1.0 2.2 3.4 407 397 A 28 ALA HA A 29 LEU H 1.0 3.0 4.4 408 398 A 61 TRP H A 61 TRP HB2 1.0 3.4 5.0 409 399 A 57 VAL HA A 57 VAL H 1.0 2.6 3.8 410 400 A 19 PHE H A 19 PHE HB3 1.0 2.9 4.3 411 401 A 51 GLY HA2 A 51 GLY H 1.0 2.7 4.1 412 402 A 51 GLY H A 51 GLY HA3 1.0 2.7 4.1 413 403 A 91 LYS H A 90 GLU HA 1.0 2.0 3.0 414 404 A 13 GLY HA3 A 14 ASN H 1.0 2.5 3.7 415 405 A 35 GLY HA3 A 35 GLY H 1.0 2.2 3.4 416 406 A 5 ASN HA A 5 ASN HD21 1.0 3.0 4.6 417 407 A 58 PHE H A 46 ARG HA 1.0 2.9 4.3 418 408 A 15 GLU HA A 14 ASN HA 1.0 3.4 5.0 419 409 A 10 ASP H A 11 GLU H 1.0 3.0 4.6 420 410 A 83 PHE HB3 A 83 PHE HA 1.0 2.8 4.2 421 411 A 77 GLU HA A 77 GLU HG2 1.0 2.3 3.5 422 412 A 20 THR HA A 6 PHE H 1.0 3.0 4.4 423 413 A 5 ASN HA A 5 ASN HD22 1.0 3.0 4.6 424 414 A 50 ARG H A 50 ARG HB3 1.0 2.5 3.7 425 415 A 48 ARG HE A 9 ARG HB2 1.0 3.0 4.4 426 416 A 65 VAL HA A 65 VAL HB 1.0 2.0 3.0 427 417 A 80 SER H A 80 SER HA 1.0 2.8 4.2 428 418 A 26 GLN HA A 26 GLN HE21 1.0 3.4 5.0 429 419 A 61 TRP H A 61 TRP HA 1.0 2.8 4.2 430 420 A 74 TRP HZ2 A 74 TRP HE1 1.0 2.6 3.8 431 421 A 41 ASN HB3 A 41 ASN HD21 1.0 2.4 3.6 432 422 A 27 ALA H A 27 ALA HA 1.0 2.6 4.0 433 423 A 70 ASN HA A 71 ARG HE 1.0 4.8 7.2 434 424 A 91 LYS H A 91 LYS HB3 1.0 2.3 3.5 435 425 A 56 HIS HD2 A 56 HIS HB2 1.0 3.0 4.6 436 426 A 50 ARG HB3 A 50 ARG HA 1.0 2.4 3.6 437 427 A 59 LYS HA A 59 LYS H 1.0 2.7 4.1 438 428 A 67 ALA H A 67 ALA HA 1.0 2.7 4.1 439 429 A 29 LEU HD2% A 29 LEU HA 1.0 3.0 4.6 440 429 A 29 LEU HA A 29 LEU HD1% 1.0 3.0 4.6 441 430 A 69 LYS HA A 69 LYS HB2 1.0 2.1 3.1 442 431 A 69 LYS HA A 69 LYS HB3 1.0 2.1 3.1 443 432 A 14 ASN HD22 A 14 ASN HA 1.0 3.0 4.6 444 433 A 54 LYS HE2 A 54 LYS HD2 1.0 2.6 4.0 445 434 A 54 LYS HE3 A 54 LYS HD3 1.0 2.6 4.0 446 435 A 53 LYS H A 53 LYS HA 1.0 2.5 3.7 447 436 A 22 LYS H A 21 GLY HA2 1.0 2.7 4.1 448 437 A 88 ARG HD3 A 88 ARG HG3 1.0 2.6 3.8 449 438 A 14 ASN HD2x A 14 ASN HB3 1.0 2.4 3.6 450 439 A 22 LYS HA A 22 LYS H 1.0 2.5 3.7 451 440 A 46 ARG H A 46 ARG HG3 1.0 3.0 4.4 452 441 A 78 LYS H A 79 ILE H 1.0 2.9 4.3 453 442 A 26 GLN HB2 A 26 GLN HE21 1.0 3.1 4.7 454 443 A 10 ASP HB3 A 10 ASP HA 1.0 2.5 3.7 455 444 A 41 ASN H A 41 ASN HA 1.0 2.3 3.5 456 445 A 24 PRO HA A 23 GLN HA 1.0 3.3 4.9 457 446 A 38 THR HB A 38 THR HG2% 1.0 2.1 3.1 458 447 A 6 PHE HA A 7 VAL HA 1.0 3.7 5.5 459 448 A 25 ARG HA A 26 GLN H 1.0 3.2 4.8 460 449 A 44 ILE HB A 44 ILE HG13 1.0 2.2 3.2 461 450 A 5 ASN HA A 4 ARG H 1.0 3.9 5.9 462 451 A 11 GLU HA A 11 GLU HB3 1.0 1.9 2.9 463 452 A 11 GLU HA A 11 GLU HB2 1.0 1.9 2.9 464 453 A 23 GLN HG3 A 23 GLN HE22 1.0 2.8 4.2 465 454 A 23 GLN HG2 A 23 GLN HE22 1.0 2.8 4.2 466 455 A 19 PHE HB2 A 19 PHE HA 1.0 3.0 4.4 467 456 A 48 ARG H A 48 ARG HA 1.0 2.7 4.1 468 457 A 70 ASN HD21 A 70 ASN HB2 1.0 2.1 3.1 469 458 A 15 GLU HA A 9 ARG HB2 1.0 2.8 4.2 470 459 A 54 LYS HB2 A 54 LYS H 1.0 2.6 4.0 471 460 A 47 LEU HA A 47 LEU H 1.0 2.6 3.8 472 461 A 50 ARG HA A 50 ARG HG2 1.0 2.6 4.0 473 462 A 71 ARG HE A 71 ARG HD2 1.0 2.6 4.0 474 463 A 39 LYS HG3 A 39 LYS HB2 1.0 2.2 3.2 475 464 A 71 ARG H A 70 ASN HA 1.0 2.3 3.5 476 465 A 5 ASN H A 5 ASN HB3 1.0 2.6 4.0 477 466 A 27 ALA H A 26 GLN H 1.0 2.6 3.8 478 467 A 2 ASN HD22 A 2 ASN HB3 1.0 2.9 4.3 479 468 A 6 PHE HZ A 6 PHE HB3 1.0 3.8 5.6 480 469 A 86 LYS HG3 A 86 LYS H 1.0 3.0 4.6 481 470 A 17 GLY HA3 A 17 GLY H 1.0 2.3 3.5 482 471 A 48 ARG HA A 48 ARG HG2 1.0 2.8 4.2 483 472 A 52 THR HB A 52 THR HG2% 1.0 2.6 3.8 484 473 A 63 GLU HA A 61 TRP HE1 1.0 3.4 5.2 485 474 A 10 ASP H A 9 ARG HA 1.0 2.2 3.4 486 475 A 10 ASP H A 10 ASP HA 1.0 2.5 3.7 487 476 A 74 TRP HH2 A 74 TRP HE1 1.0 3.8 5.6 488 477 A 44 ILE HA A 45 ILE H 1.0 2.3 3.5 489 478 A 46 ARG HG2 A 9 ARG HD2 1.0 2.2 3.2 490 479 A 74 TRP H A 75 MET HB3 1.0 4.5 6.7 491 480 A 44 ILE H A 44 ILE HB 1.0 2.1 3.1 492 481 A 73 ALA H A 73 ALA HA 1.0 2.2 3.4 493 482 A 61 TRP H A 60 ALA HA 1.0 2.5 3.7 494 483 A 34 ARG HA A 35 GLY H 1.0 2.2 3.4 495 484 A 35 GLY H A 35 GLY HA2 1.0 2.2 3.4 496 485 A 37 GLY H A 37 GLY HA2 1.0 2.3 3.5 497 486 A 37 GLY H A 37 GLY HA3 1.0 2.3 3.5 498 487 A 22 LYS HA A 4 ARG HG2 1.0 2.2 3.2 499 488 A 30 LYS HB3 A 30 LYS HA 1.0 2.2 3.4 500 489 A 30 LYS HB2 A 30 LYS HA 1.0 2.2 3.4 501 490 A 48 ARG HD2 A 9 ARG HA 1.0 3.6 5.4 502 491 A 15 GLU HA A 16 HIS H 1.0 2.2 3.4 503 492 A 20 THR HA A 20 THR HB 1.0 2.6 3.8 504 493 A 8 LEU H A 9 ARG H 1.0 3.1 4.7 505 494 A 48 ARG HE A 9 ARG HA 1.0 3.8 5.6 506 495 A 28 ALA HA A 31 ALA H 1.0 2.7 4.1 507 496 A 81 LYS H A 80 SER HA 1.0 2.4 3.6 508 497 A 59 LYS HA A 44 ILE HG12 1.0 2.6 3.8 509 498 A 30 LYS H A 30 LYS HB3 1.0 2.6 3.8 510 499 A 15 GLU HA A 16 HIS HB2 1.0 3.3 4.9 511 500 A 20 THR HG2% A 5 ASN HA 1.0 4.5 6.7 512 501 A 14 ASN HD2x A 14 ASN HD22 1.0 1.9 2.9 513 502 A 75 MET HB3 A 75 MET HA 1.0 2.2 3.4 514 503 A 50 ARG H A 52 THR H 1.0 3.5 5.3 515 504 A 63 GLU HA A 64 ILE H 1.0 2.1 3.1 516 505 A 14 ASN HB2 A 14 ASN HA 1.0 2.5 3.7 517 506 A 39 LYS HA A 39 LYS H 1.0 2.4 3.6 518 507 A 46 ARG H A 45 ILE H 1.0 3.1 4.7 519 508 A 46 ARG H A 47 LEU H 1.0 3.1 4.7 520 509 A 33 ASN H A 33 ASN HB3 1.0 2.3 3.5 521 510 A 65 VAL HA A 66 ASP H 1.0 2.0 3.0 522 511 A 26 GLN HA A 27 ALA H 1.0 2.7 4.1 523 512 A 50 ARG H A 5 ASN HB2 1.0 3.7 5.5 524 513 A 8 LEU H A 7 VAL HA 1.0 2.3 3.5 525 514 A 43 ASP H A 44 ILE H 1.0 3.0 4.4 526 515 A 84 VAL HA A 84 VAL HB 1.0 2.4 3.6 527 516 A 26 GLN HA A 26 GLN HG3 1.0 2.6 3.8 528 517 A 26 GLN HA A 26 GLN HG2 1.0 2.6 3.8 529 518 A 4 ARG H A 4 ARG HB2 1.0 2.6 4.0 530 519 A 14 ASN H A 14 ASN HA 1.0 2.4 3.6 531 520 A 13 GLY H A 12 ASP HA 1.0 2.7 4.1 532 521 A 72 PRO HB2 A 71 ARG HG3 1.0 5.1 7.7 533 522 A 16 HIS HB3 A 17 GLY HA2 1.0 3.8 5.6 534 523 A 41 ASN HD21 A 41 ASN HA 1.0 3.0 4.4 535 524 A 92 LEU H A 91 LYS HA 1.0 2.4 3.6 536 525 A 70 ASN HA A 69 LYS HB2 1.0 4.4 6.6 537 526 A 70 ASN HA A 69 LYS HB3 1.0 4.4 6.6 538 527 A 29 LEU H A 29 LEU HB3 1.0 2.7 4.1 539 528 A 42 PRO HD3 A 42 PRO HBy 1.0 3.2 4.8 540 529 A 80 SER H A 79 ILE H 1.0 3.3 4.9 541 530 A 30 LYS HA A 33 ASN HD21 1.0 3.1 4.7 542 531 A 57 VAL H A 56 HIS HB3 1.0 3.0 4.6 543 532 A 57 VAL H A 57 VAL HB 1.0 2.6 4.0 544 533 A 4 ARG HA A 4 ARG H 1.0 2.4 3.6 545 534 A 29 LEU HA A 29 LEU HB3 1.0 2.7 4.1 546 535 A 61 TRP HD1 A 40 ALA HA 1.0 3.1 4.7 547 536 A 25 ARG HA A 28 ALA H 1.0 3.1 4.7 548 537 A 5 ASN HD21 A 50 ARG HB2 1.0 3.8 5.6 549 538 A 48 ARG H A 8 LEU HA 1.0 3.4 5.0 550 539 A 41 ASN HB2 A 41 ASN HD22 1.0 2.6 3.8 551 540 A 24 PRO HD2 A 24 PRO HBy 1.0 3.6 5.4 552 541 A 58 PHE HB2 A 85 LYS HA 1.0 4.0 6.0 553 542 A 83 PHE HA A 84 VAL H 1.0 2.3 3.5 554 543 A 42 PRO HGy A 42 PRO HD2 1.0 2.5 3.7 555 544 A 19 PHE H A 18 VAL H 1.0 3.0 4.6 556 545 A 26 GLN HE21 A 26 GLN HB3 1.0 3.3 4.9 557 546 A 15 GLU HB3 A 16 HIS H 1.0 2.3 3.5 558 547 A 80 SER H A 79 ILE HA 1.0 2.3 3.5 559 548 A 52 THR HA A 52 THR H 1.0 2.4 3.6 560 549 A 43 ASP HB2 A 43 ASP HA 1.0 2.2 3.2 561 550 A 43 ASP HB3 A 43 ASP HA 1.0 2.2 3.2 562 551 A 70 ASN HD21 A 70 ASN HA 1.0 2.9 4.3 563 552 A 44 ILE HA A 59 LYS HA 1.0 2.7 4.1 564 553 A 44 ILE HA A 44 ILE H 1.0 2.5 3.7 565 554 A 45 ILE H A 45 ILE HA 1.0 2.3 3.5 566 555 A 2 ASN HB2 A 2 ASN HD21 1.0 2.3 3.5 567 556 A 72 PRO HB2 A 73 ALA HB% 1.0 4.5 6.7 568 557 A 72 PRO HA A 72 PRO HB2 1.0 2.7 4.1 569 558 A 82 PRO HD2 A 82 PRO HB2 1.0 2.7 4.1 570 559 A 82 PRO HD2 A 82 PRO HB3 1.0 2.7 4.1 571 560 A 82 PRO HD3 A 82 PRO HB2 1.0 2.7 4.1 572 561 A 82 PRO HD3 A 82 PRO HB3 1.0 2.7 4.1 573 562 A 48 ARG H A 48 ARG HG2 1.0 3.3 4.9 574 563 A 28 ALA HB% A 29 LEU HA 1.0 3.8 5.6 575 564 A 50 ARG HD2 A 5 ASN HD21 1.0 3.1 4.7 576 565 A 31 ALA H A 31 ALA HA 1.0 2.5 3.7 577 566 A 16 HIS HD2 A 16 HIS HB2 1.0 2.4 3.6 578 567 A 66 ASP HB2 A 66 ASP H 1.0 2.4 3.6 579 568 A 88 ARG HD2 A 88 ARG H 1.0 3.3 4.9 580 569 A 16 HIS HB2 A 16 HIS HA 1.0 2.4 3.6 581 570 A 61 TRP HB3 A 61 TRP HE3 1.0 2.8 4.2 582 571 A 65 VAL HB A 65 VAL HG1% 1.0 2.5 3.7 583 572 A 4 ARG H A 3 THR HA 1.0 2.1 3.1 584 573 A 18 VAL HA A 18 VAL H 1.0 2.6 3.8 585 574 A 8 LEU HB3 A 9 ARG H 1.0 3.0 4.6 586 575 A 90 GLU HA A 91 LYS HB2 1.0 3.2 4.8 587 576 A 11 GLU HA A 12 ASP H 1.0 2.6 3.8 588 577 A 23 GLN HE22 A 22 LYS HG2 1.0 3.4 5.0 589 578 A 11 GLU HA A 11 GLU HG2 1.0 2.1 3.1 590 579 A 12 ASP H A 11 GLU HB2 1.0 2.5 3.7 591 580 A 56 HIS HA A 56 HIS H 1.0 2.7 4.1 592 581 A 71 ARG H A 71 ARG HG3 1.0 2.6 4.0 593 582 A 50 ARG HD2 A 5 ASN HD22 1.0 3.1 4.7 594 583 A 85 LYS H A 85 LYS HA 1.0 3.0 4.4 595 584 A 54 LYS HE2 A 52 THR HG1 1.0 4.1 6.1 596 585 A 6 PHE HZ A 22 LYS HA 1.0 3.2 4.8 597 586 A 36 SER HB2 A 41 ASN HD22 1.0 3.1 4.7 598 587 A 15 GLU HB2 A 15 GLU HG2 1.0 2.8 4.2 599 588 A 15 GLU HB3 A 15 GLU HG3 1.0 2.8 4.2 600 589 A 79 ILE H A 79 ILE HA 1.0 2.9 4.3 601 590 A 12 ASP HB2 A 14 ASN HD2x 1.0 2.8 4.2 602 591 A 61 TRP HE3 A 85 LYS HB2 1.0 2.5 3.7 603 592 A 64 ILE HG13 A 64 ILE HD1% 1.0 2.1 3.1 604 593 A 83 PHE HD% A 83 PHE HB3 1.0 2.4 3.6 605 594 A 54 LYS HD3 A 54 LYS HB3 1.0 2.7 4.1 606 595 A 88 ARG HG2 A 88 ARG HE 1.0 3.3 4.9 607 596 A 30 LYS HA A 30 LYS HE2 1.0 3.5 5.3 608 597 A 61 TRP HZ3 A 85 LYS HB2 1.0 2.2 3.2 609 598 A 26 GLN H A 26 GLN HB3 1.0 2.7 4.1 610 599 A 3 THR HB A 3 THR HG2% 1.0 2.5 3.7 611 600 A 56 HIS HD2 A 56 HIS HE1 1.0 4.5 6.7 612 601 A 40 ALA HA A 41 ASN HA 1.0 3.7 5.5 613 602 A 34 ARG H A 34 ARG HB2 1.0 2.2 3.4 614 603 A 32 ALA HB% A 32 ALA HA 1.0 2.4 3.6 615 604 A 82 PRO HD2 A 81 LYS HD2 1.0 2.8 4.2 616 605 A 44 ILE HA A 44 ILE HG2% 1.0 2.6 4.0 617 606 A 61 TRP H A 85 LYS HB2 1.0 3.4 5.0 618 607 A 64 ILE HG2% A 64 ILE HB 1.0 2.1 3.1 619 608 A 85 LYS H A 85 LYS HB3 1.0 2.6 3.8 620 609 A 29 LEU HB2 A 29 LEU HD1% 1.0 2.5 3.7 621 609 A 29 LEU HD2% A 29 LEU HB2 1.0 2.5 3.7 622 610 A 10 ASP HA A 11 GLU HB2 1.0 2.7 4.1 623 611 A 39 LYS HG2 A 39 LYS HB2 1.0 2.0 3.0 624 612 A 79 ILE HD1% A 79 ILE HG12 1.0 2.0 3.0 625 613 A 71 ARG HD2 A 71 ARG HB2 1.0 2.8 4.2 626 614 A 90 GLU HB3 A 90 GLU HG2 1.0 2.0 3.0 627 615 A 93 GLU HG3 A 93 GLU HB2 1.0 2.2 3.2 628 616 A 93 GLU HG2 A 93 GLU HB2 1.0 2.2 3.2 629 617 A 84 VAL HG1% A 84 VAL HB 1.0 2.3 3.5 630 618 A 20 THR HA A 19 PHE HA 1.0 4.6 6.8 631 619 A 77 GLU HG2 A 68 PRO HA 1.0 2.9 4.3 632 620 A 92 LEU HB3 A 92 LEU HG 1.0 2.6 4.0 633 621 A 42 PRO HGy A 42 PRO HBy 1.0 2.3 3.5 634 622 A 90 GLU HG2 A 90 GLU HB2 1.0 2.3 3.5 635 623 A 65 VAL HB A 65 VAL HG1% 1.0 2.4 3.6 636 624 A 71 ARG HA A 71 ARG HB2 1.0 2.5 3.7 637 625 A 84 VAL HG1% A 84 VAL HB 1.0 2.4 3.6 638 626 A 52 THR H A 53 LYS H 1.0 3.2 4.8 639 627 A 93 GLU HA A 93 GLU HB2 1.0 2.2 3.2 640 628 A 47 LEU H A 46 ARG HB2 1.0 3.0 4.6 641 629 A 65 VAL H A 65 VAL HB 1.0 3.0 4.6 642 630 A 6 PHE HA A 6 PHE HB3 1.0 2.2 3.8 643 631 A 54 LYS HA A 54 LYS HB2 1.0 3.0 4.6 644 632 A 31 ALA HA A 45 ILE HG12 1.0 3.3 4.9 645 633 A 84 VAL HA A 60 ALA HB% 1.0 3.0 4.6 646 634 A 89 ILE HG2% A 56 HIS HA 1.0 3.2 4.8 647 635 A 87 GLU HA A 87 GLU HB2 1.0 2.5 3.7 648 636 A 49 GLU HA A 47 LEU HG 1.0 3.8 5.8 649 637 A 61 TRP HD1 A 63 GLU HG2 1.0 2.4 3.6 650 638 A 83 PHE HB3 A 61 TRP HZ3 1.0 3.2 4.8 651 639 A 58 PHE HB2 A 86 LYS HA 1.0 3.6 5.4 652 640 A 84 VAL HB A 25 ARG HA 1.0 3.0 4.6 653 641 A 87 GLU H A 58 PHE HA 1.0 3.3 4.9 654 642 A 31 ALA HB% A 31 ALA HA 1.0 2.5 3.7 655 643 A 85 LYS HB3 A 85 LYS HG3 1.0 2.5 3.7 656 644 A 85 LYS HB2 A 85 LYS HG3 1.0 2.5 3.7 657 645 A 85 LYS HB3 A 85 LYS HG2 1.0 2.5 3.7 658 646 A 85 LYS HB2 A 85 LYS HG2 1.0 2.5 3.7 659 647 A 16 HIS HB2 A 17 GLY H 1.0 2.3 3.5 660 648 A 65 VAL HB A 65 VAL HG2% 1.0 2.2 3.4 661 649 A 7 VAL HG1% A 7 VAL HB 1.0 2.6 3.8 662 650 A 7 VAL HG2% A 7 VAL HB 1.0 2.6 3.8 663 651 A 24 PRO HA A 25 ARG H 1.0 2.5 3.7 664 652 A 61 TRP HD1 A 61 TRP HA 1.0 2.8 4.2 665 653 A 52 THR HG1 A 53 LYS H 1.0 4.0 6.0 666 654 A 88 ARG HD3 A 88 ARG H 1.0 3.4 5.0 667 655 A 7 VAL H A 7 VAL HB 1.0 2.7 4.1 668 656 A 7 VAL H A 48 ARG HB2 1.0 2.7 4.1 669 657 A 18 VAL HB A 18 VAL HG2% 1.0 2.4 3.6 670 658 A 64 ILE HA A 63 GLU HB2 1.0 5.0 7.6 671 659 A 56 HIS HD2 A 58 PHE HZ 1.0 2.9 4.3 672 660 A 31 ALA HB% A 31 ALA HA 1.0 2.4 3.6 673 661 A 60 ALA HA A 60 ALA HB% 1.0 2.6 3.8 674 662 A 8 LEU HA A 8 LEU HD1% 1.0 2.7 4.1 675 662 A 8 LEU HD2% A 8 LEU HA 1.0 2.7 4.1 676 663 A 45 ILE HD1% A 45 ILE HG12 1.0 2.5 3.7 677 664 A 29 LEU HB2 A 29 LEU HB3 1.0 1.7 2.5 678 665 A 10 ASP H A 10 ASP HB2 1.0 2.7 4.1 679 666 A 88 ARG H A 57 VAL H 1.0 3.2 4.8 680 667 A 93 GLU HA A 93 GLU HB2 1.0 2.0 3.0 681 668 A 88 ARG HG2 A 87 GLU HA 1.0 4.2 6.2 682 669 A 88 ARG HG2 A 90 GLU HA 1.0 4.2 6.2 683 670 A 88 ARG HG3 A 90 GLU HA 1.0 4.2 6.2 684 671 A 49 GLU HA A 6 PHE HB2 1.0 3.6 5.4 685 672 A 29 LEU HB2 A 29 LEU HA 1.0 2.6 4.0 686 673 A 62 LYS H A 61 TRP HB2 1.0 2.7 4.1 687 674 A 9 ARG HD3 A 9 ARG HE 1.0 3.0 4.4 688 675 A 76 PRO HA A 76 PRO HB3 1.0 2.4 3.6 689 676 A 5 ASN HB2 A 18 VAL HG2% 1.0 3.2 4.8 690 677 A 28 ALA HA A 32 ALA H 1.0 3.2 4.8 691 678 A 9 ARG HA A 10 ASP HB2 1.0 3.1 4.7 692 679 A 52 THR HB A 52 THR HA 1.0 2.4 3.6 693 680 A 16 HIS HD2 A 16 HIS HB3 1.0 2.5 3.7 694 681 A 58 PHE HD% A 58 PHE HB3 1.0 2.5 3.7 695 682 A 45 ILE HG12 A 45 ILE HG2% 1.0 2.8 4.2 696 683 A 41 ASN HB3 A 41 ASN HB2 1.0 1.9 2.9 697 684 A 17 GLY HA3 A 16 HIS HB3 1.0 3.3 4.9 698 685 A 86 LYS HA A 58 PHE HB3 1.0 3.3 4.9 699 686 A 24 PRO HA A 24 PRO HD3 1.0 2.6 3.8 700 687 A 33 ASN HA A 33 ASN HB2 1.0 2.6 3.8 701 688 A 56 HIS HA A 56 HIS HB3 1.0 2.6 3.8 702 689 A 72 PRO HA A 72 PRO HB3 1.0 2.3 3.5 703 690 A 18 VAL HB A 18 VAL HG2% 1.0 2.2 3.4 704 691 A 46 ARG HD2 A 46 ARG HE 1.0 2.6 3.8 705 692 A 84 VAL HG1% A 84 VAL H 1.0 3.2 4.8 706 693 A 33 ASN HD22 A 30 LYS HA 1.0 2.6 4.0 707 694 A 92 LEU HB2 A 92 LEU HG 1.0 2.4 3.6 708 695 A 22 LYS H A 23 GLN HB2 1.0 3.1 4.7 709 696 A 7 VAL H A 6 PHE H 1.0 3.7 5.5 710 697 A 84 VAL HA A 84 VAL HB 1.0 2.6 3.8 711 698 A 7 VAL HG1% A 7 VAL HB 1.0 2.2 3.4 712 699 A 34 ARG HG3 A 34 ARG HA 1.0 2.2 3.4 713 700 A 3 THR H A 3 THR HA 1.0 2.0 3.0 714 701 A 91 LYS H A 91 LYS HB2 1.0 2.3 3.5 715 702 A 92 LEU HA A 92 LEU HG 1.0 3.0 4.4 716 703 A 58 PHE H A 57 VAL HB 1.0 2.9 4.3 717 704 A 65 VAL H A 65 VAL HG2% 1.0 2.5 3.7 718 705 A 7 VAL HG2% A 7 VAL H 1.0 3.1 4.7 719 706 A 26 GLN HG2 A 29 LEU HD1% 1.0 3.9 5.9 720 706 A 29 LEU HD2% A 26 GLN HG2 1.0 3.9 5.9 721 707 A 6 PHE HD% A 47 LEU HD1% 1.0 2.9 4.3 722 707 A 47 LEU HD2% A 6 PHE HD% 1.0 2.9 4.3 723 708 A 6 PHE HD% A 47 LEU HG 1.0 2.9 4.3 724 709 A 8 LEU HD2% A 8 LEU H 1.0 2.9 4.3 725 709 A 8 LEU H A 8 LEU HD1% 1.0 2.9 4.3 726 710 A 22 LYS HA A 6 PHE HE% 1.0 2.8 4.2 727 711 A 19 PHE HD% A 8 LEU H 1.0 3.2 4.8 728 712 A 32 ALA HB% A 61 TRP HA 1.0 3.0 4.6 729 713 A 61 TRP HA A 60 ALA HB% 1.0 3.0 4.6 730 714 A 48 ARG H A 55 VAL HG1% 1.0 3.7 5.5 731 715 A 58 PHE HD% A 84 VAL HA 1.0 3.0 4.6 732 716 A 20 THR HG2% A 19 PHE HB2 1.0 3.6 5.4 733 717 A 84 VAL HG1% A 25 ARG HA 1.0 2.5 3.7 734 718 A 58 PHE HD% A 58 PHE HE% 1.0 3.8 5.6 735 719 A 34 ARG HD3 A 45 ILE HG2% 1.0 3.0 4.4 736 720 A 93 GLU H A 92 LEU HD1% 1.0 2.6 3.8 737 720 A 92 LEU HD2% A 93 GLU H 1.0 2.6 3.8 738 721 A 44 ILE H A 45 ILE HG2% 1.0 2.8 4.2 739 722 A 48 ARG HA A 55 VAL HG2% 1.0 3.0 4.6 740 723 A 30 LYS HB3 A 19 PHE HE% 1.0 2.4 3.6 741 724 A 83 PHE HE% A 63 GLU HB3 1.0 2.6 4.0 742 725 A 6 PHE HD% A 56 HIS HD2 1.0 2.9 4.3 743 726 A 84 VAL HG1% A 25 ARG HA 1.0 2.4 3.6 744 727 A 46 ARG HD3 A 44 ILE HG2% 1.0 2.9 4.3 745 728 A 20 THR HA A 6 PHE HD% 1.0 3.4 5.0 746 729 A 6 PHE H A 6 PHE HE% 1.0 3.5 5.3 747 730 A 6 PHE HD% A 21 GLY H 1.0 3.0 4.4 748 731 A 20 THR HB A 3 THR HG2% 1.0 2.8 4.2 749 732 A 45 ILE HD1% A 60 ALA HB% 1.0 2.5 3.7 750 733 A 50 ARG HD2 A 18 VAL HG2% 1.0 3.1 4.7 751 734 A 6 PHE HD% A 22 LYS HA 1.0 3.0 4.4 752 735 A 29 LEU HB3 A 29 LEU HD1% 1.0 2.4 3.6 753 735 A 29 LEU HD2% A 29 LEU HB3 1.0 2.4 3.6 754 736 A 58 PHE HD% A 45 ILE HG12 1.0 3.5 5.3 755 737 A 58 PHE HD% A 60 ALA HB% 1.0 3.5 5.3 756 738 A 89 ILE HD1% A 88 ARG HA 1.0 3.5 5.3 757 739 A 82 PRO HA A 83 PHE HD% 1.0 3.0 4.4 758 740 A 18 VAL HG1% A 17 GLY HA2 1.0 3.1 4.7 759 741 A 50 ARG H A 7 VAL HG2% 1.0 4.0 6.0 760 742 A 20 THR HG2% A 19 PHE HA 1.0 2.8 4.2 761 743 A 92 LEU HA A 92 LEU HD1% 1.0 2.2 3.4 762 743 A 92 LEU HD2% A 92 LEU HA 1.0 2.2 3.4 763 744 A 6 PHE HD% A 7 VAL H 1.0 3.2 4.8 764 745 A 28 ALA HB% A 60 ALA HB% 1.0 3.9 5.9 765 746 A 58 PHE HD% A 84 VAL HG1% 1.0 3.2 4.8 766 747 A 84 VAL H A 29 LEU HD1% 1.0 3.2 4.8 767 747 A 29 LEU HD2% A 84 VAL H 1.0 3.2 4.8 768 748 A 17 GLY HA3 A 18 VAL HG1% 1.0 3.1 4.7 769 749 A 21 GLY HA2 A 6 PHE HE% 1.0 4.1 6.1 770 750 A 83 PHE HE% A 83 PHE HD% 1.0 2.1 3.1 771 751 A 32 ALA HB% A 33 ASN HA 1.0 3.0 4.4 772 752 A 14 ASN H A 14 ASN HD22 1.0 3.0 4.4 773 753 A 5 ASN HB3 A 5 ASN HD21 1.0 2.6 4.0 774 754 A 71 ARG HA A 71 ARG H 1.0 2.6 4.0 775 755 A 61 TRP HZ3 A 85 LYS HB3 1.0 2.4 3.6 776 756 A 58 PHE HD% A 58 PHE HB2 1.0 3.0 4.4 777 757 A 83 PHE HB3 A 61 TRP HH2 1.0 2.4 3.6 778 758 A 49 GLU HA A 47 LEU HB2 1.0 2.7 4.1 779 759 A 67 ALA HA A 78 LYS HB2 1.0 3.0 4.4 780 760 A 5 ASN HD21 A 18 VAL HG2% 1.0 3.7 5.5 781 761 A 50 ARG H A 7 VAL HG2% 1.0 3.4 5.0 782 762 A 7 VAL HG2% A 48 ARG HB3 1.0 3.2 4.8 783 763 A 3 THR H A 2 ASN HB3 1.0 2.5 3.7 784 764 A 74 TRP HE3 A 72 PRO HB3 1.0 2.7 4.1 785 765 A 19 PHE H A 17 GLY HA3 1.0 3.6 5.4 786 766 A 63 GLU HB2 A 81 LYS HB2 1.0 2.3 3.5 787 767 A 55 VAL HG1% A 48 ARG HD2 1.0 3.3 4.9 788 768 A 31 ALA HB% A 32 ALA H 1.0 2.9 4.3 789 769 A 90 GLU H A 90 GLU HB2 1.0 2.7 4.1 790 770 A 92 LEU H A 91 LYS HB3 1.0 2.6 3.8 791 771 A 63 GLU HB2 A 81 LYS HB2 1.0 2.4 3.6 792 772 A 72 PRO HD2 A 71 ARG HG3 1.0 2.2 3.4 793 773 A 8 LEU HD2% A 17 GLY H 1.0 3.3 4.9 794 773 A 17 GLY H A 8 LEU HD1% 1.0 3.3 4.9 795 774 A 33 ASN HA A 33 ASN HB3 1.0 2.6 3.8 796 775 A 32 ALA HA A 61 TRP HA 1.0 3.0 4.6 797 776 A 21 GLY H A 19 PHE HB3 1.0 3.5 5.3 798 777 A 24 PRO HD2 A 25 ARG H 1.0 2.0 3.0 799 778 A 88 ARG HD3 A 88 ARG HA 1.0 3.1 4.7 800 779 A 31 ALA HB% A 45 ILE HG12 1.0 2.5 3.7 801 780 A 88 ARG H A 88 ARG HA 1.0 3.4 5.0 802 781 A 33 ASN H A 34 ARG HG2 1.0 2.8 4.2 803 782 A 22 LYS H A 21 GLY HA3 1.0 3.0 4.6 804 783 A 27 ALA HA A 30 LYS HE3 1.0 2.7 4.1 805 784 A 27 ALA HA A 30 LYS HE2 1.0 2.7 4.1 806 785 A 49 GLU HA A 49 GLU H 1.0 3.4 5.2 807 786 A 38 THR HB A 39 LYS H 1.0 2.5 3.7 808 787 A 49 GLU HA A 49 GLU H 1.0 3.4 5.2 809 788 A 38 THR HB A 39 LYS H 1.0 2.5 3.7 810 789 A 4 ARG HE A 23 GLN HE22 1.0 3.5 5.3 811 790 A 32 ALA HB% A 35 GLY H 1.0 3.6 5.4 812 791 A 50 ARG HB3 A 7 VAL H 1.0 3.3 4.9 813 792 A 50 ARG HB3 A 5 ASN HB2 1.0 2.9 4.3 814 793 A 22 LYS HB2 A 21 GLY HA2 1.0 2.7 4.1 815 794 B 3 DA H5' B 3 DA H8 1.0 2.5 3.7 816 795 C 28 DT H3 B 2 DA H2 1.0 3.7 5.5 817 796 B 10 DC H2'' B 11 DA H2' 1.0 3.0 4.4 818 797 C 26 DT H3 B 6 DC H42 1.0 4.6 6.8 819 798 B 15 DA H8 B 15 DA H4' 1.0 3.6 5.4 820 799 C 26 DT H2' C 27 DT H3 1.0 4.5 6.7 821 800 C 23 DG H5' C 23 DG H8 1.0 3.0 4.4 822 801 C 30 DT H1' B 2 DA H2 1.0 3.3 4.9 823 802 B 8 DC H5 B 8 DC H2' 1.0 3.6 5.4 824 803 B 2 DA H2 B 2 DA H1' 1.0 3.6 5.4 825 804 B 14 DC H1' B 14 DC H5 1.0 4.3 6.5 826 805 C 26 DT H3 B 4 DA H2 1.0 3.8 5.8 827 806 B 3 DA H8 C 27 DT H3 1.0 4.5 6.7 828 807 B 2 DA H8 B 2 DA H5' 1.0 2.6 4.0 829 808 C 24 DT H2' C 25 DG H5'' 1.0 2.6 4.0 830 809 C 16 DT H3' C 16 DT H1' 1.0 3.1 4.7 831 810 C 30 DT H6 C 30 DT H3 1.0 3.6 5.4 832 811 B 1 DA H2'' B 1 DA H1' 1.0 2.2 3.4 833 812 B 12 DC H2'' B 13 DC H5 1.0 3.1 4.7 834 813 B 13 DC H5 B 13 DC H6 1.0 2.4 3.6 835 814 C 26 DT H3 C 25 DG H1' 1.0 4.9 7.3 836 815 B 3 DA H2' B 3 DA H1' 1.0 2.7 4.1 837 816 C 22 DT H6 C 21 DG H1' 1.0 2.9 4.3 838 817 C 22 DT H6 C 22 DT H1' 1.0 2.9 4.3 839 818 C 30 DT H3' B 2 DA H2 1.0 5.3 7.9 840 819 C 27 DT H3 B 5 DA H2 1.0 2.9 4.3 841 820 B 12 DC H5 B 12 DC H41 1.0 2.5 3.7 842 821 C 26 DT H3 C 26 DT H1' 1.0 4.7 7.1 843 822 B 1 DA H5' B 1 DA H3' 1.0 1.8 2.8 844 823 B 13 DC H5 B 13 DC H42 1.0 2.8 4.2 845 824 B 5 DA H1' B 5 DA H4' 1.0 2.6 3.8 846 825 C 26 DT H1' C 27 DT H6 1.0 3.0 4.6 847 826 B 12 DC H5'' B 12 DC H4' 1.0 1.8 2.8 848 827 B 12 DC H4' B 12 DC H5' 1.0 1.8 2.8 849 828 C 30 DT H2' C 30 DT H4' 1.0 2.8 4.2 850 829 C 30 DT H2'' C 30 DT H4' 1.0 2.8 4.2 851 830 B 13 DC H2' B 13 DC H1' 1.0 2.6 4.0 852 831 C 16 DT H2' C 16 DT H1' 1.0 3.0 4.6 853 832 C 25 DG H5'' C 26 DT H7% 1.0 4.3 6.5 854 833 C 22 DT H2' C 24 DT H3 1.0 4.6 7.0 855 834 C 24 DT H1' C 25 DG H8 1.0 3.1 4.7 856 835 B 1 DA H5' B 1 DA H2' 1.0 2.5 3.7 857 836 B 12 DC H2'' B 12 DC H1' 1.0 2.6 4.0 858 837 B 4 DA H2' B 4 DA H8 1.0 2.7 4.1 859 838 C 18 DG H1 B 13 DC H41 1.0 3.5 5.3 860 839 C 30 DT H2' C 30 DT H3' 1.0 2.4 3.6 861 840 C 30 DT H2'' C 30 DT H3' 1.0 2.4 3.6 862 841 C 30 DT H3' C 30 DT H1' 1.0 2.6 4.0 863 842 C 22 DT H3 C 23 DG H1 1.0 3.8 5.6 864 843 B 6 DC H5 B 6 DC H1' 1.0 3.4 5.2 865 844 B 12 DC H1' B 12 DC H3' 1.0 3.4 5.2 866 845 C 16 DT H5' C 16 DT H1' 1.0 3.7 5.5 867 846 B 5 DA H2 C 27 DT H1' 1.0 3.2 4.8 868 847 B 2 DA H8 B 1 DA H4' 1.0 5.4 8.0 869 848 B 15 DA H8 B 14 DC H3' 1.0 5.1 7.7 870 849 B 15 DA H2' B 15 DA H3' 1.0 2.5 3.7 871 850 C 16 DT H1' C 16 DT H2'' 1.0 2.6 4.0 872 851 C 22 DT H2' C 23 DG H5' 1.0 2.8 4.2 873 852 B 12 DC H1' B 12 DC H6 1.0 3.1 4.7 874 853 B 6 DC H1' B 6 DC H6 1.0 3.0 4.6 875 854 C 27 DT H6 C 27 DT H2' 1.0 2.3 3.5 876 855 C 28 DT H3 B 4 DA H2'' 1.0 5.0 7.4 877 856 C 30 DT H4' C 29 DT H2'' 1.0 2.6 3.8 878 857 B 13 DC H5 B 12 DC H3' 1.0 3.5 5.3 879 858 C 28 DT H3 C 27 DT H2'' 1.0 4.5 6.7 880 859 B 15 DA H1' B 15 DA H2'' 1.0 2.5 3.7 881 860 C 17 DG H5'' C 17 DG H1' 1.0 3.2 4.8 882 861 C 17 DG H5' C 17 DG H1' 1.0 3.2 4.8 883 862 C 25 DG H5'' C 24 DT H1' 1.0 2.2 3.2 884 863 B 2 DA H1' B 2 DA H8 1.0 2.6 4.0 885 864 C 23 DG H8 C 23 DG H3' 1.0 3.2 4.8 886 865 B 12 DC H1' B 12 DC H2' 1.0 2.9 4.3 887 866 B 3 DA H1' B 3 DA H3' 1.0 3.5 5.3 888 867 B 1 DA H1' B 1 DA H4' 1.0 3.8 5.8 889 868 B 8 DC H2' C 23 DG H1 1.0 4.3 6.5 890 869 C 25 DG H5' C 26 DT H6 1.0 2.8 4.2 891 870 B 1 DA H8 B 1 DA H5'' 1.0 2.6 4.0 892 871 C 30 DT H3' C 30 DT H6 1.0 2.7 4.1 893 872 B 12 DC H6 B 11 DA H2'' 1.0 2.4 3.6 894 873 B 12 DC H41 B 12 DC H6 1.0 3.5 5.3 895 874 C 20 DT H3 C 20 DT H1' 1.0 4.2 6.4 896 875 B 14 DC H1' B 14 DC H2' 1.0 2.7 4.1 897 876 C 27 DT H3 C 26 DT H1' 1.0 3.9 5.9 898 877 B 13 DC H1' B 13 DC H2'' 1.0 2.5 3.7 899 878 B 12 DC H2'' B 12 DC H4' 1.0 2.8 4.2 900 879 C 16 DT H1' C 16 DT H4' 1.0 3.1 4.7 901 880 C 25 DG H1' C 24 DT H3 1.0 4.1 6.1 902 881 B 15 DA H3' B 15 DA H2'' 1.0 2.5 3.7 903 882 B 4 DA H3' B 4 DA H1' 1.0 3.5 5.3 904 883 C 22 DT H3' C 22 DT H6 1.0 4.8 7.2 905 884 C 16 DT H7% C 16 DT H6 1.0 2.7 4.1 906 885 B 2 DA H1' B 2 DA H2' 1.0 2.8 4.2 907 886 B 13 DC H5 C 18 DG H1 1.0 3.7 5.5 908 887 B 2 DA H8 B 2 DA H2' 1.0 2.2 3.2 909 888 C 16 DT H5' C 16 DT H6 1.0 3.1 4.7 910 889 B 4 DA H1' B 4 DA H5'' 1.0 3.7 5.5 911 890 B 12 DC H5 B 12 DC H1' 1.0 3.4 5.2 912 891 B 14 DC H5 B 14 DC H42 1.0 2.8 4.2 913 892 B 15 DA H1' B 15 DA H2' 1.0 2.1 3.1 914 893 B 15 DA H8 B 14 DC H2'' 1.0 2.8 4.2 915 894 B 10 DC H1' B 11 DA H3' 1.0 4.9 7.3 916 895 C 22 DT H1' C 22 DT H3 1.0 3.9 5.9 917 896 C 27 DT H3 C 27 DT H7% 1.0 4.3 6.5 918 897 C 16 DT H4' C 16 DT H6 1.0 3.0 4.6 919 898 C 26 DT H2' C 26 DT H1' 1.0 2.2 3.2 920 899 C 28 DT H3 C 28 DT H7% 1.0 4.2 6.4 921 900 C 26 DT H3 C 27 DT H3 1.0 4.0 6.0 922 901 C 22 DT H2' C 23 DG H8 1.0 3.1 4.7 923 902 C 17 DG H1' C 17 DG H8 1.0 3.0 4.6 924 903 C 28 DT H3 B 4 DA H1' 1.0 3.9 5.9 925 904 C 29 DT H2'' C 29 DT H3 1.0 4.5 6.7 926 905 C 26 DT H1' C 26 DT H7% 1.0 4.7 7.1 927 906 B 11 DA H3' B 11 DA H1' 1.0 2.5 3.7 928 907 B 5 DA H3' B 5 DA H8 1.0 2.6 4.0 929 908 B 11 DA H2'' B 11 DA H3' 1.0 2.4 3.6 930 909 B 4 DA H5'' B 5 DA H8 1.0 3.8 5.6 931 910 B 11 DA H1' C 19 DG H1 1.0 4.5 6.7 932 911 C 26 DT H3 C 26 DT H6 1.0 4.4 6.6 933 912 C 26 DT H3 C 25 DG H1 1.0 4.4 6.6 934 913 C 26 DT H3 B 5 DA H2 1.0 2.7 4.1 935 914 B 6 DC H5 C 25 DG H1 1.0 4.2 6.4 936 915 B 15 DA H2 B 15 DA H1' 1.0 3.8 5.6 937 916 B 2 DA H8 B 2 DA H3' 1.0 3.3 4.9 938 917 C 24 DT H3 B 6 DC H41 1.0 4.7 7.1 939 918 C 22 DT H1' C 22 DT H2'' 1.0 2.2 3.4 940 919 C 16 DT H1' C 16 DT H6 1.0 2.7 4.1 941 920 B 15 DA H8 B 15 DA H5'' 1.0 2.7 4.1 942 921 B 15 DA H8 B 15 DA H5' 1.0 2.7 4.1 943 922 B 12 DC H6 C 19 DG H1 1.0 3.6 5.4 944 923 C 30 DT H2' C 30 DT H1' 1.0 2.0 3.0 945 924 C 30 DT H2'' C 30 DT H1' 1.0 2.0 3.0 946 925 C 27 DT H6 C 27 DT H7% 1.0 2.6 4.0 947 926 B 11 DA H2'' C 19 DG H1 1.0 4.6 6.8 948 927 B 2 DA H2' B 2 DA H5'' 1.0 2.2 3.4 949 928 B 5 DA H4' B 5 DA H2' 1.0 2.9 4.3 950 929 C 22 DT H3 C 22 DT H2'' 1.0 5.0 7.4 951 930 B 6 DC H42 C 24 DT H3 1.0 4.4 6.6 952 931 B 5 DA H2 B 6 DC H41 1.0 4.6 6.8 953 932 C 18 DG H8 C 18 DG H1' 1.0 3.0 4.6 954 933 C 26 DT H3 C 26 DT H2' 1.0 5.0 7.4 955 934 B 4 DA H8 B 4 DA H1' 1.0 2.9 4.3 956 935 B 1 DA H1' B 1 DA H2' 1.0 2.4 3.6 957 936 C 30 DT H3' C 29 DT H3' 1.0 3.8 5.8 958 937 C 16 DT H2' C 16 DT H6 1.0 2.2 3.2 959 938 B 3 DA H8 B 2 DA H1' 1.0 2.6 3.8 960 939 B 1 DA H1' B 1 DA H8 1.0 2.4 3.6 961 940 C 30 DT H3' C 30 DT H5' 1.0 2.7 4.1 962 941 C 30 DT H3' C 30 DT H5'' 1.0 2.7 4.1 963 942 C 22 DT H6 C 22 DT H7% 1.0 3.1 4.7 964 943 B 2 DA H1' B 1 DA H2'' 1.0 4.3 6.5 965 944 B 8 DC H2' B 8 DC H1' 1.0 2.4 3.6 966 945 C 22 DT H6 C 22 DT H3 1.0 4.2 6.4 967 946 B 12 DC H41 C 19 DG H1 1.0 3.1 4.7 968 947 C 19 DG H1 C 18 DG H2' 1.0 4.6 6.8 969 948 B 2 DA H2 B 3 DA H1' 1.0 3.8 5.6 970 949 C 25 DG H1' C 25 DG H8 1.0 3.1 4.7 971 950 B 2 DA H2 C 30 DT H3 1.0 3.4 5.2 972 951 C 16 DT H3' C 16 DT H6 1.0 4.1 6.1 973 952 C 16 DT H5' C 16 DT H4' 1.0 2.5 3.7 974 953 C 26 DT H3 C 25 DG H2'' 1.0 4.5 6.7 975 954 B 15 DA H2' B 15 DA H2'' 1.0 1.9 2.9 976 955 B 2 DA H1' C 29 DT H3 1.0 4.6 6.8 977 956 B 1 DA H2'' B 1 DA H5'' 1.0 3.5 5.3 978 957 B 5 DA H1' B 6 DC H6 1.0 3.2 4.8 979 958 C 27 DT H3 B 4 DA H2 1.0 2.6 4.0 980 959 B 12 DC H5 B 11 DA H3' 1.0 3.4 5.0 981 960 B 3 DA H8 B 3 DA H5'' 1.0 2.4 3.6 982 961 C 28 DT H1' C 28 DT H2'' 1.0 2.5 3.7 983 962 C 29 DT H2'' C 28 DT H1' 1.0 2.5 3.7 984 963 C 28 DT H2'' C 29 DT H1' 1.0 2.5 3.7 985 964 C 29 DT H2'' C 29 DT H1' 1.0 2.5 3.7 986 965 C 28 DT H3 C 27 DT H1' 1.0 3.8 5.6 987 966 C 28 DT H3 C 28 DT H1' 1.0 3.8 5.6 988 967 C 28 DT H3 C 29 DT H1' 1.0 3.8 5.6 989 968 B 13 DC H6 B 13 DC H1' 1.0 2.7 4.1 990 969 B 13 DC H1' B 14 DC H6 1.0 2.7 4.1 991 970 C 27 DT H2' C 28 DT H7% 1.0 3.0 4.4 992 971 C 30 DT H2' C 30 DT H6 1.0 2.2 3.2 993 972 B 14 DC H5 B 14 DC H6 1.0 2.6 4.0 994 973 B 4 DA H1' B 3 DA H2 1.0 2.6 4.0 995 974 B 3 DA H2 C 29 DT H2' 1.0 2.6 3.8 996 975 B 12 DC H4' B 12 DC H6 1.0 3.0 4.4 997 976 C 17 DG H5'' C 17 DG H2' 1.0 3.0 4.6 998 977 C 17 DG H5'' C 17 DG H2'' 1.0 3.0 4.6 999 978 B 12 DC H5'' B 12 DC H2' 1.0 2.6 3.8 1000 979 B 4 DA H2'' B 4 DA H5'' 1.0 3.4 5.0 1001 980 B 2 DA H5' B 2 DA H5'' 1.0 1.8 2.8 1002 981 B 11 DA H5'' B 11 DA H5' 1.0 1.8 2.8 1003 982 B 8 DC H2' B 8 DC H5' 1.0 2.2 3.4 1004 983 C 22 DT H1' C 23 DG H5'' 1.0 2.4 3.6 1005 984 C 20 DT H1' C 20 DT H2' 1.0 2.6 3.8 1006 985 C 24 DT H2' C 24 DT H1' 1.0 2.6 3.8 1007 986 C 25 DG H5' C 25 DG H2' 1.0 2.4 3.6 1008 987 C 23 DG H8 C 23 DG H5'' 1.0 3.0 4.6 1009 988 B 8 DC H5 B 8 DC H42 1.0 2.8 4.2 1010 989 B 8 DC H5 B 8 DC H2' 1.0 3.0 4.6 1011 990 B 8 DC H6 B 7 DA H2' 1.0 2.2 3.4 1012 991 B 12 DC H6 B 11 DA H2'' 1.0 2.2 3.4 1013 992 B 4 DA H2'' B 4 DA H4' 1.0 2.4 3.6 1014 993 B 15 DA H4' B 15 DA H2' 1.0 2.4 3.6 1015 994 B 11 DA H1' C 21 DG H1 1.0 3.7 5.5 1016 995 C 22 DT H6 C 22 DT H1' 1.0 2.8 4.2 1017 996 C 25 DG H1' C 26 DT H6 1.0 2.8 4.2 1018 997 B 4 DA H1' B 3 DA H2 1.0 2.6 4.0 1019 998 B 4 DA H8 B 4 DA H1' 1.0 2.9 4.3 1020 999 B 5 DA H1' B 5 DA H8 1.0 2.9 4.3 1021 1000 C 24 DT H2'' C 24 DT H6 1.0 2.6 3.8 1022 1001 B 7 DA H2' B 7 DA H1' 1.0 2.1 3.1 1023 1002 B 9 DA H1' B 9 DA H2' 1.0 2.1 3.1 1024 1003 B 11 DA H2'' B 11 DA H1' 1.0 2.1 3.1 1025 1004 B 10 DC H42 B 10 DC H5 1.0 3.1 4.7 1026 1005 C 27 DT H6 C 27 DT H1' 1.0 2.2 3.4 1027 1006 C 28 DT H1' C 28 DT H6 1.0 2.2 3.4 1028 1007 C 28 DT H1' C 29 DT H6 1.0 2.2 3.4 1029 1008 C 29 DT H1' C 29 DT H6 1.0 2.2 3.4 1030 1009 B 12 DC H5 B 12 DC H5'' 1.0 3.0 4.4 1031 1010 B 4 DA H3' B 4 DA H1' 1.0 3.1 4.7 1032 1011 B 8 DC H5' B 8 DC H2'' 1.0 2.7 4.1 1033 1012 C 22 DT H1' C 23 DG H5'' 1.0 2.2 3.2 1034 1013 C 29 DT H1' B 3 DA H2 1.0 3.1 4.7 1035 1014 C 19 DG H8 C 20 DT H6 1.0 3.0 4.4 1036 1015 C 25 DG H8 C 24 DT H6 1.0 3.0 4.4 1037 1016 C 27 DT H1' C 27 DT H2' 1.0 2.5 3.7 1038 1017 C 28 DT H1' C 28 DT H2' 1.0 2.5 3.7 1039 1018 C 29 DT H1' C 29 DT H2' 1.0 2.5 3.7 1040 1019 C 30 DT H2' C 29 DT H2' 1.0 3.0 4.4 1041 1020 C 22 DT H2' C 22 DT H1' 1.0 2.6 4.0 1042 1021 B 12 DC H5'' B 11 DA H2'' 1.0 2.8 4.2 1043 1022 B 8 DC H5 B 7 DA H2'' 1.0 2.9 4.3 1044 1023 B 11 DA H2' B 12 DC H5 1.0 2.9 4.3 1045 1024 B 10 DC H5 B 9 DA H2'' 1.0 3.8 5.6 1046 1025 B 6 DC H5 B 5 DA H8 1.0 2.8 4.2 1047 1026 B 6 DC H5 B 6 DC H42 1.0 2.8 4.2 1048 1027 C 23 DG H1 B 8 DC H41 1.0 3.4 5.0 1049 1028 C 27 DT H1' C 28 DT H5' 1.0 2.6 4.0 1050 1029 C 22 DT H3 B 8 DC H41 1.0 3.8 5.8 1051 1030 C 22 DT H3 B 10 DC H42 1.0 3.8 5.8 1052 1031 B 5 DA H1' B 5 DA H8 1.0 2.9 4.3 1053 1032 B 7 DA H1' B 7 DA H8 1.0 2.5 3.7 1054 1033 B 9 DA H1' B 9 DA H8 1.0 2.5 3.7 1055 1034 B 11 DA H1' B 11 DA H8 1.0 2.5 3.7 1056 1035 B 1 DA H1' B 1 DA H8 1.0 2.4 3.6 1057 1036 B 3 DA H8 B 3 DA H1' 1.0 2.4 3.6 1058 1037 B 1 DA H1' B 1 DA H5'' 1.0 2.9 4.3 1059 1038 C 19 DG H2'' C 19 DG H2' 1.0 1.9 2.9 1060 1039 C 21 DG H2' C 21 DG H2'' 1.0 1.9 2.9 1061 1040 C 23 DG H2'' C 23 DG H2' 1.0 1.9 2.9 1062 1041 C 25 DG H2'' C 25 DG H2' 1.0 1.9 2.9 1063 1042 B 4 DA H2' B 4 DA H1' 1.0 3.0 4.4 1064 1043 B 5 DA H1' B 4 DA H2' 1.0 3.0 4.4 1065 1044 B 5 DA H1' B 5 DA H2' 1.0 3.0 4.4 1066 1045 B 12 DC H5 B 12 DC H5'' 1.0 3.4 5.2 1067 1046 B 12 DC H5 B 12 DC H5' 1.0 3.4 5.2 1068 1047 B 8 DC H2' B 8 DC H5' 1.0 2.3 3.5 1069 1048 C 27 DT H6 C 27 DT H5' 1.0 2.3 3.5 1070 1049 C 30 DT H5' C 30 DT H6 1.0 2.3 3.5 1071 1050 C 19 DG H2' C 19 DG H1' 1.0 2.3 3.5 1072 1051 C 21 DG H2' C 21 DG H1' 1.0 2.3 3.5 1073 1052 C 23 DG H2' C 23 DG H1' 1.0 2.3 3.5 1074 1053 C 24 DT H1' C 25 DG H3' 1.0 5.6 8.0 1075 1054 B 6 DC H1' B 6 DC H2'' 1.0 2.6 4.0 1076 1055 B 2 DA H2 B 3 DA H1' 1.0 3.7 5.5 1077 1056 C 21 DG H1' C 21 DG H1 1.0 4.1 6.1 1078 1057 C 23 DG H1 C 23 DG H1' 1.0 4.1 6.1 1079 1058 C 20 DT H6 C 19 DG H1' 1.0 2.6 4.0 1080 1059 C 24 DT H6 C 23 DG H1' 1.0 2.6 4.0 1081 1060 C 30 DT H2' C 29 DT H2' 1.0 3.0 4.6 1082 1061 B 11 DA H1' C 21 DG H1 1.0 4.0 6.0 1083 1062 C 19 DG H2'' C 19 DG H1' 1.0 2.3 3.5 1084 1063 C 21 DG H1' C 21 DG H2'' 1.0 2.3 3.5 1085 1064 C 23 DG H2'' C 23 DG H1' 1.0 2.3 3.5 1086 1065 C 25 DG H1' C 25 DG H2' 1.0 2.3 3.5 1087 1066 C 28 DT H1' C 28 DT H6 1.0 2.2 3.4 1088 1067 C 28 DT H1' C 29 DT H6 1.0 2.2 3.4 1089 1068 C 29 DT H1' C 29 DT H6 1.0 2.2 3.4 1090 1069 C 20 DT H6 C 19 DG H1' 1.0 2.6 4.0 1091 1070 C 24 DT H6 C 23 DG H1' 1.0 2.6 4.0 1092 1071 C 27 DT H3 C 27 DT H1' 1.0 3.6 5.4 1093 1072 C 29 DT H3 C 29 DT H1' 1.0 3.6 5.4 1094 1073 C 22 DT H2' C 22 DT H1' 1.0 3.0 4.4 1095 1074 C 21 DG H1' C 21 DG H8 1.0 2.7 4.1 1096 1075 C 23 DG H8 C 23 DG H1' 1.0 2.7 4.1 1097 1076 C 20 DT H3 C 21 DG H1 1.0 4.1 6.1 1098 1077 C 22 DT H3 C 23 DG H1 1.0 4.1 6.1 1099 1078 B 7 DA H1' B 7 DA H8 1.0 2.8 4.2 1100 1079 B 9 DA H1' B 9 DA H8 1.0 2.8 4.2 1101 1080 B 11 DA H1' B 11 DA H8 1.0 2.8 4.2 1102 1081 B 1 DA H5' B 1 DA H5'' 1.0 1.9 2.9 1103 1082 C 25 DG H8 C 25 DG H2'' 1.0 2.7 4.1 1104 1083 C 20 DT H6 C 19 DG H2' 1.0 2.5 3.7 1105 1084 B 11 DA H2' B 11 DA H5'' 1.0 2.5 3.7 1106 1085 C 23 DG H5' C 23 DG H2' 1.0 2.5 3.7 1107 1086 C 25 DG H5' C 25 DG H2'' 1.0 2.5 3.7 1108 1087 C 30 DT H5' C 29 DT H2'' 1.0 2.0 3.0 1109 1088 C 27 DT H2' C 28 DT H6 1.0 2.2 3.2 1110 1089 C 29 DT H6 C 28 DT H2' 1.0 2.2 3.2 1111 1090 C 30 DT H6 C 29 DT H2' 1.0 2.2 3.2 1112 1091 C 27 DT H3 C 27 DT H2' 1.0 4.3 6.5 1113 1092 C 29 DT H3 C 29 DT H2' 1.0 4.3 6.5 1114 1093 C 27 DT H3' C 26 DT H2'' 1.0 3.4 5.0 1115 1094 C 27 DT H2'' C 28 DT H3' 1.0 3.4 5.0 1116 1095 C 29 DT H3' C 28 DT H2'' 1.0 3.4 5.0 1117 1096 B 11 DA H2' B 11 DA H4' 1.0 3.8 5.8 1118 1097 B 2 DA H8 B 2 DA H5' 1.0 2.7 4.1 1119 1098 C 21 DG H1 B 10 DC H5 1.0 3.8 5.6 1120 1099 B 8 DC H5 C 23 DG H1 1.0 3.8 5.6 1121 1100 C 28 DT H3 C 28 DT H7% 1.0 4.2 6.4 1122 1101 C 23 DG H8 C 23 DG H2'' 1.0 2.5 3.7 1123 1102 B 7 DA H1' B 7 DA H2'' 1.0 2.2 3.2 1124 1103 B 9 DA H1' B 9 DA H2'' 1.0 2.2 3.2 1125 1104 B 11 DA H2' B 11 DA H1' 1.0 2.2 3.2 1126 1105 B 10 DC H1' B 11 DA H1' 1.0 3.0 4.4 1127 1106 B 3 DA H1' B 3 DA H3' 1.0 2.8 4.2 1128 1107 C 19 DG H2'' C 19 DG H2' 1.0 2.0 3.0 1129 1108 C 21 DG H2' C 21 DG H2'' 1.0 2.0 3.0 1130 1109 C 23 DG H2'' C 23 DG H2' 1.0 2.0 3.0 1131 1110 C 22 DT H2' C 24 DT H3 1.0 4.4 6.6 1132 1111 B 4 DA H2'' B 4 DA H1' 1.0 2.3 3.5 1133 1112 B 5 DA H1' B 5 DA H2'' 1.0 2.3 3.5 1134 1113 C 27 DT H3 B 4 DA H2 1.0 2.3 3.5 1135 1114 B 8 DC H5 B 8 DC H6 1.0 2.2 3.2 1136 1115 B 10 DC H5 B 10 DC H6 1.0 2.2 3.2 1137 1116 B 12 DC H5 B 12 DC H6 1.0 2.2 3.2 1138 1117 B 13 DC H6 B 13 DC H1' 1.0 2.9 4.3 1139 1118 C 20 DT H6 C 20 DT H7% 1.0 2.6 4.0 1140 1119 C 24 DT H6 C 24 DT H7% 1.0 2.6 4.0 1141 1120 B 9 DA H2' B 10 DC H5 1.0 2.8 4.2 1142 1121 C 30 DT H6 C 30 DT H7% 1.0 2.3 3.5 1143 1122 C 19 DG H2' C 19 DG H1' 1.0 2.2 3.2 1144 1123 C 21 DG H2' C 21 DG H1' 1.0 2.2 3.2 1145 1124 C 23 DG H2' C 23 DG H1' 1.0 2.2 3.2 1146 1125 C 25 DG H1' C 25 DG H2'' 1.0 2.2 3.2 1147 1126 B 2 DA H5' B 2 DA H5'' 1.0 1.7 2.5 1148 1127 B 11 DA H5'' B 11 DA H5' 1.0 1.7 2.5 1149 1128 C 22 DT H3 B 10 DC H41 1.0 4.2 6.4 1150 1129 B 6 DC H2' B 6 DC H1' 1.0 3.0 4.4 1151 1130 B 10 DC H2'' B 11 DA H1' 1.0 3.0 4.4 1152 1131 C 27 DT H3 B 5 DA H2 1.0 3.1 4.7 1153 1132 B 7 DA H2' B 7 DA H1' 1.0 2.5 3.7 1154 1133 B 9 DA H1' B 9 DA H2' 1.0 2.5 3.7 1155 1134 B 11 DA H2'' B 11 DA H1' 1.0 2.5 3.7 1156 1135 B 12 DC H3' B 12 DC H6 1.0 2.9 4.3 1157 1136 C 22 DT H5' C 22 DT H6 1.0 2.9 4.3 1158 1137 C 22 DT H5'' C 22 DT H6 1.0 2.9 4.3 1159 1138 C 20 DT H6 C 19 DG H3' 1.0 4.9 7.3 1160 1139 C 23 DG H3' C 24 DT H6 1.0 4.9 7.3 1161 1140 B 1 DA H1' B 1 DA H5'' 1.0 3.0 4.6 1162 1141 B 15 DA H2' B 15 DA H5'' 1.0 2.2 3.4 1163 1142 B 12 DC H2'' B 13 DC H5 1.0 2.9 4.3 1164 1143 C 20 DT H1' C 20 DT H2'' 1.0 2.3 3.5 1165 1144 C 24 DT H1' C 24 DT H2'' 1.0 2.3 3.5 1166 1145 C 28 DT H3 C 28 DT H6 1.0 3.7 5.5 1167 1146 B 8 DC H1' B 8 DC H6 1.0 2.7 4.1 1168 1147 B 10 DC H1' B 10 DC H6 1.0 2.7 4.1 1169 1148 B 10 DC H1' C 21 DG H1 1.0 4.2 6.2 1170 1149 C 23 DG H1 B 8 DC H1' 1.0 4.2 6.2 1171 1150 C 28 DT H7% C 28 DT H6 1.0 2.5 3.7 1172 1151 C 29 DT H6 C 29 DT H7% 1.0 2.5 3.7 1173 1152 B 8 DC H42 B 8 DC H6 1.0 3.8 5.8 1174 1153 B 10 DC H6 B 10 DC H41 1.0 3.8 5.8 1175 1154 B 2 DA H1' B 2 DA H3' 1.0 3.0 4.4 1176 1155 B 12 DC H5 B 12 DC H42 1.0 2.5 3.7 1177 1156 C 23 DG H5' C 22 DT H1' 1.0 2.2 3.2 1178 1157 B 4 DA H1' B 4 DA H5'' 1.0 3.8 5.6 1179 1158 B 8 DC H2' B 8 DC H1' 1.0 2.3 3.5 1180 1159 B 10 DC H1' B 10 DC H2' 1.0 2.3 3.5 1181 1160 C 27 DT H3 C 27 DT H1' 1.0 3.8 5.6 1182 1161 C 29 DT H3 C 29 DT H1' 1.0 3.8 5.6 1183 1162 C 21 DG H1 B 10 DC H41 1.0 3.4 5.0 1184 1163 C 23 DG H1 B 8 DC H42 1.0 3.4 5.0 1185 1164 B 13 DC H6 B 13 DC H5'' 1.0 3.1 4.7 1186 1165 B 5 DA H4' B 5 DA H2' 1.0 2.9 4.3 1187 1166 C 20 DT H1' C 20 DT H6 1.0 2.6 4.0 1188 1167 C 24 DT H1' C 24 DT H6 1.0 2.6 4.0 1189 1168 B 8 DC H5 C 23 DG H1 1.0 3.7 5.5 1190 1169 C 21 DG H1 B 10 DC H5 1.0 3.7 5.5 1191 1170 B 8 DC H1' B 8 DC H2'' 1.0 2.6 4.0 1192 1171 B 10 DC H2'' B 10 DC H1' 1.0 2.6 4.0 1193 1172 B 4 DA H2'' B 4 DA H4' 1.0 2.6 4.0 1194 1173 B 15 DA H4' B 15 DA H2' 1.0 2.6 4.0 1195 1174 B 3 DA H2' B 3 DA H1' 1.0 2.4 3.6 1196 1175 C 27 DT H1' C 27 DT H2' 1.0 2.2 3.4 1197 1176 C 28 DT H1' C 28 DT H2' 1.0 2.2 3.4 1198 1177 C 29 DT H1' C 29 DT H2' 1.0 2.2 3.4 1199 1178 B 8 DC H5' B 8 DC H6 1.0 2.3 3.5 1200 1179 C 27 DT H6 C 27 DT H3' 1.0 2.2 3.4 1201 1180 C 28 DT H6 C 27 DT H3' 1.0 2.2 3.4 1202 1181 C 29 DT H3' C 29 DT H6 1.0 2.2 3.4 1203 1182 C 30 DT H6 C 29 DT H3' 1.0 2.2 3.4 1204 1183 C 28 DT H6 C 27 DT H3' 1.0 3.3 4.9 1205 1184 C 28 DT H6 C 28 DT H3' 1.0 3.3 4.9 1206 1185 C 29 DT H6 C 28 DT H3' 1.0 3.3 4.9 1207 1186 C 29 DT H3' C 29 DT H6 1.0 3.3 4.9 1208 1187 C 29 DT H3 C 29 DT H7% 1.0 4.4 6.6 1209 1188 C 25 DG H5'' C 25 DG H2' 1.0 2.5 3.7 1210 1189 B 4 DA H8 B 4 DA H3' 1.0 2.5 3.7 1211 1190 B 2 DA H8 B 2 DA H2'' 1.0 2.4 3.6 1212 1191 C 28 DT H3 B 3 DA H2 1.0 2.4 3.6 1213 1192 C 27 DT H6 C 27 DT H2' 1.0 2.2 3.2 1214 1193 C 28 DT H6 C 28 DT H2' 1.0 2.2 3.2 1215 1194 C 21 DG H2' C 22 DT H5'' 1.0 2.3 3.5 1216 1195 B 3 DA H1' B 4 DA H2' 1.0 4.0 6.0 1217 1196 B 13 DC H41 C 17 DG H2' 1.0 3.3 4.9 1218 1197 B 13 DC H41 C 17 DG H2'' 1.0 3.3 4.9 1219 1198 B 15 DA H2'' B 15 DA H5' 1.0 2.2 3.4 1220 1199 B 15 DA H1' B 15 DA H5'' 1.0 2.5 3.7 1221 1200 B 2 DA H5' B 2 DA H3' 1.0 2.9 4.3 1222 1201 B 2 DA H1' C 29 DT H3 1.0 4.6 6.8 1223 1202 B 4 DA H2' C 29 DT H1' 1.0 4.6 7.0 1224 1203 B 1 DA H5' B 1 DA H8 1.0 2.6 4.0 1225 1204 B 2 DA H8 B 2 DA H5'' 1.0 2.7 4.1 1226 1205 C 26 DT H2' C 26 DT H7% 1.0 4.3 6.5 1227 1206 B 1 DA H3' B 1 DA H5'' 1.0 2.1 3.1 1228 1207 C 23 DG H3' C 23 DG H1' 1.0 2.4 3.6 1229 1208 B 2 DA H1' B 1 DA H2 1.0 4.0 6.0 1230 1209 C 22 DT H3 B 9 DA H1' 1.0 4.0 6.0 1231 1210 B 4 DA H1' B 3 DA H2'' 1.0 3.9 5.9 1232 1211 C 29 DT H1' C 28 DT H2' 1.0 2.5 3.7 1233 1212 C 23 DG H5'' C 23 DG H2' 1.0 2.3 3.5 1234 1213 B 3 DA H8 B 3 DA H3' 1.0 2.2 3.4 1235 1214 B 15 DA H2'' B 15 DA H5'' 1.0 2.2 3.4 1236 1215 B 8 DC H2' B 8 DC H6 1.0 2.4 3.6 1237 1216 C 30 DT H2' C 30 DT H7% 1.0 3.1 4.7 1238 1217 B 15 DA H8 B 15 DA H2' 1.0 2.2 3.2 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 4 ARG H A 21 GLY O 1.0 1.730 2.700 2 2 A 21 GLY O A 4 ARG N 1.0 2.516 3.927 3 3 A 21 GLY H A 4 ARG O 1.0 1.730 2.700 4 4 A 4 ARG O A 21 GLY N 1.0 2.516 3.927 5 5 A 6 PHE H A 19 PHE O 1.0 1.730 2.700 6 6 A 19 PHE O A 6 PHE N 1.0 2.516 3.927 7 7 A 19 PHE H A 6 PHE O 1.0 1.730 2.700 8 8 A 6 PHE O A 19 PHE N 1.0 2.516 3.927 9 9 A 8 LEU H A 17 GLY O 1.0 1.730 2.700 10 10 A 17 GLY O A 8 LEU N 1.0 2.516 3.927 11 11 A 5 ASN H A 50 ARG O 1.0 1.730 2.700 12 12 A 50 ARG O A 5 ASN N 1.0 2.516 3.927 13 13 A 50 ARG H A 5 ASN O 1.0 1.730 2.700 14 14 A 5 ASN O A 50 ARG N 1.0 2.516 3.927 15 15 A 7 VAL H A 48 ARG O 1.0 1.730 2.700 16 16 A 48 ARG O A 7 VAL N 1.0 2.516 3.927 17 17 A 48 ARG H A 7 VAL O 1.0 1.730 2.700 18 18 A 7 VAL O A 48 ARG N 1.0 2.516 3.927 19 19 A 9 ARG H A 46 ARG O 1.0 1.730 2.700 20 20 A 46 ARG O A 9 ARG N 1.0 2.516 3.927 21 21 A 60 ALA H A 43 ASP O 1.0 1.730 2.700 22 22 A 43 ASP O A 60 ALA N 1.0 2.516 3.927 23 23 A 45 ILE H A 58 PHE O 1.0 1.730 2.700 24 24 A 58 PHE O A 45 ILE N 1.0 2.516 3.927 25 25 A 58 PHE H A 45 ILE O 1.0 1.730 2.700 26 26 A 45 ILE O A 58 PHE N 1.0 2.516 3.927 27 27 A 47 LEU H A 56 HIS O 1.0 1.730 2.700 28 28 A 56 HIS O A 47 LEU N 1.0 2.516 3.927 29 29 A 56 HIS H A 47 LEU O 1.0 1.730 2.700 30 30 A 47 LEU O A 56 HIS N 1.0 2.516 3.927 31 31 A 67 ALA H A 77 GLU O 1.0 1.730 2.700 32 32 A 77 GLU O A 67 ALA N 1.0 2.516 3.927 33 33 A 79 ILE H A 65 VAL O 1.0 1.730 2.700 34 34 A 65 VAL O A 79 ILE N 1.0 2.516 3.927 35 35 A 65 VAL H A 79 ILE O 1.0 1.730 2.700 36 36 A 79 ILE O A 65 VAL N 1.0 2.516 3.927 37 37 A 81 LYS H A 63 GLU O 1.0 1.730 2.700 38 38 A 63 GLU O A 81 LYS N 1.0 2.516 3.927 39 39 A 63 GLU H A 81 LYS O 1.0 1.730 2.700 40 40 A 81 LYS O A 63 GLU N 1.0 2.516 3.927 41 41 A 83 PHE H A 61 TRP O 1.0 1.730 2.700 42 42 A 61 TRP O A 83 PHE N 1.0 2.516 3.927 43 43 A 61 TRP H A 83 PHE O 1.0 1.730 2.700 44 44 A 83 PHE O A 61 TRP N 1.0 2.516 3.927 45 45 A 85 LYS H A 59 LYS O 1.0 1.730 2.700 46 46 A 59 LYS O A 85 LYS N 1.0 2.516 3.927 47 47 A 59 LYS H A 85 LYS O 1.0 1.730 2.700 48 48 A 85 LYS O A 59 LYS N 1.0 2.516 3.927 49 49 A 87 GLU H A 57 VAL O 1.0 1.730 2.700 50 50 A 57 VAL O A 87 GLU N 1.0 2.516 3.927 51 51 A 90 GLU H A 55 VAL O 1.0 1.730 2.700 52 52 A 55 VAL O A 90 GLU N 1.0 2.516 3.927 53 53 A 55 VAL H A 90 GLU O 1.0 1.730 2.700 54 54 A 90 GLU O A 55 VAL N 1.0 2.516 3.927 55 55 A 92 LEU H A 53 LYS O 1.0 1.730 2.700 56 56 A 53 LYS O A 92 LEU N 1.0 2.516 3.927 57 57 A 26 GLN H A 23 GLN O 1.0 1.730 2.700 58 58 A 23 GLN O A 26 GLN N 1.0 2.516 3.927 59 59 A 23 GLN O A 27 ALA N 1.0 2.516 3.927 60 60 A 27 ALA H A 23 GLN O 1.0 1.730 2.700 61 61 A 28 ALA H A 24 PRO O 1.0 1.730 2.700 62 62 A 24 PRO O A 28 ALA N 1.0 2.516 3.927 63 63 A 29 LEU N A 25 ARG O 1.0 2.516 3.927 64 64 A 29 LEU H A 25 ARG O 1.0 1.730 2.700 65 65 A 30 LYS H A 26 GLN O 1.0 1.730 2.700 66 66 A 26 GLN O A 30 LYS N 1.0 2.516 3.927 67 67 A 31 ALA H A 27 ALA O 1.0 1.730 2.700 68 68 A 27 ALA O A 31 ALA N 1.0 2.516 3.927 69 69 A 32 ALA H A 28 ALA O 1.0 1.730 2.700 70 70 A 28 ALA O A 32 ALA N 1.0 2.516 3.927 71 71 B 1 DA N1 C 30 DT N3 1.0 2.620 3.020 72 72 C 30 DT H3 B 1 DA N1 1.0 1.620 2.020 73 73 B 1 DA N6 C 30 DT O4 1.0 2.750 3.150 74 74 C 30 DT O4 B 1 DA H6y 1.0 1.750 2.150 75 75 B 2 DA N1 C 29 DT N3 1.0 2.620 3.020 76 76 C 29 DT H3 B 2 DA N1 1.0 1.620 2.020 77 77 B 2 DA N6 C 29 DT O4 1.0 2.750 3.150 78 78 C 29 DT O4 B 2 DA H6y 1.0 1.750 2.150 79 79 B 3 DA N1 C 28 DT N3 1.0 2.620 3.020 80 80 C 28 DT H3 B 3 DA N1 1.0 1.620 2.020 81 81 B 3 DA N6 C 28 DT O4 1.0 2.750 3.150 82 82 C 28 DT O4 B 3 DA H6y 1.0 1.750 2.150 83 83 B 4 DA N1 C 27 DT N3 1.0 2.620 3.020 84 84 C 27 DT H3 B 4 DA N1 1.0 1.620 2.020 85 85 B 4 DA N6 C 27 DT O4 1.0 2.750 3.150 86 86 C 27 DT O4 B 4 DA H6y 1.0 1.750 2.150 87 87 B 5 DA N1 C 26 DT N3 1.0 2.620 3.020 88 88 C 26 DT H3 B 5 DA N1 1.0 1.620 2.020 89 89 B 5 DA N6 C 26 DT O4 1.0 2.750 3.150 90 90 C 26 DT O4 B 5 DA H6y 1.0 1.750 2.150 91 91 B 6 DC N3 C 25 DG N1 1.0 2.750 3.150 92 92 C 25 DG H1 B 6 DC N3 1.0 1.750 2.150 93 93 B 6 DC N4 C 25 DG O6 1.0 2.710 3.110 94 94 B 6 DC H42 C 25 DG O6 1.0 1.710 2.110 95 95 B 6 DC O2 C 25 DG N2 1.0 2.660 3.060 96 96 B 6 DC O2 C 25 DG H2y 1.0 1.660 2.060 97 97 B 7 DA N1 C 24 DT N3 1.0 2.620 3.020 98 98 C 24 DT H3 B 7 DA N1 1.0 1.620 2.020 99 99 B 7 DA N6 C 24 DT O4 1.0 2.750 3.150 100 100 C 24 DT O4 B 7 DA H6y 1.0 1.750 2.150 101 101 B 8 DC N3 C 23 DG N1 1.0 2.750 3.150 102 102 C 23 DG H1 B 8 DC N3 1.0 1.750 2.150 103 103 B 8 DC N4 C 23 DG O6 1.0 2.710 3.110 104 104 B 8 DC H42 C 23 DG O6 1.0 1.710 2.110 105 105 B 8 DC O2 C 23 DG N2 1.0 2.660 3.060 106 106 B 8 DC O2 C 23 DG H2y 1.0 1.660 2.060 107 107 B 9 DA N1 C 22 DT N3 1.0 2.620 3.020 108 108 C 22 DT H3 B 9 DA N1 1.0 1.620 2.020 109 109 B 9 DA N6 C 22 DT O4 1.0 2.750 3.150 110 110 C 22 DT O4 B 9 DA H6y 1.0 1.750 2.150 111 111 B 10 DC N3 C 21 DG N1 1.0 2.750 3.150 112 112 C 21 DG H1 B 10 DC N3 1.0 1.750 2.150 113 113 B 10 DC N4 C 21 DG O6 1.0 2.710 3.110 114 114 B 10 DC H42 C 21 DG O6 1.0 1.710 2.110 115 115 B 10 DC O2 C 21 DG N2 1.0 2.660 3.060 116 116 B 10 DC O2 C 21 DG H2y 1.0 1.660 2.060 117 117 B 11 DA N1 C 20 DT N3 1.0 2.620 3.020 118 118 C 20 DT H3 B 11 DA N1 1.0 1.620 2.020 119 119 B 11 DA N6 C 20 DT O4 1.0 2.750 3.150 120 120 C 20 DT O4 B 11 DA H6y 1.0 1.750 2.150 121 121 B 12 DC N3 C 19 DG N1 1.0 2.750 3.150 122 122 C 19 DG H1 B 12 DC N3 1.0 1.750 2.150 123 123 B 12 DC N4 C 19 DG O6 1.0 2.710 3.110 124 124 B 12 DC H42 C 19 DG O6 1.0 1.710 2.110 125 125 B 12 DC O2 C 19 DG N2 1.0 2.660 3.060 126 126 B 12 DC O2 C 19 DG H2y 1.0 1.660 2.060 127 127 B 13 DC N3 C 18 DG N1 1.0 2.750 3.150 128 128 C 18 DG H1 B 13 DC N3 1.0 1.750 2.150 129 129 B 13 DC N4 C 18 DG O6 1.0 2.710 3.110 130 130 B 13 DC H42 C 18 DG O6 1.0 1.710 2.110 131 131 B 13 DC O2 C 18 DG N2 1.0 2.660 3.060 132 132 B 13 DC O2 C 18 DG H2y 1.0 1.660 2.060 133 133 B 14 DC N3 C 17 DG N1 1.0 2.750 3.750 134 134 B 14 DC N3 C 17 DG H1 1.0 1.750 2.750 135 135 B 14 DC N4 C 17 DG O6 1.0 2.710 3.710 136 136 B 14 DC H42 C 17 DG O6 1.0 1.710 2.710 137 137 B 14 DC O2 C 17 DG N2 1.0 2.660 4.060 138 138 C 17 DG H2y B 14 DC O2 1.0 1.660 3.060 139 139 B 15 DA N1 C 16 DT N3 1.0 2.620 4.320 140 140 B 15 DA N1 C 16 DT H3 1.0 1.620 3.320 141 141 B 15 DA N6 C 16 DT O4 1.0 2.750 4.450 142 142 C 16 DT O4 B 15 DA H6y 1.0 1.750 3.450 stop_ save_ save_CNS/XPLOR_dipolar_coupling_3 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_3 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 B 2 DA C1' B 2 DA H1' 1.0 . . . 2 2 B 3 DA C1' B 3 DA H1' 1.0 . . . 3 3 B 4 DA C1' B 4 DA H1' 1.0 . . . 4 4 B 5 DA C1' B 5 DA H1' 1.0 . . . 5 5 B 6 DC C1' B 6 DC H1' 1.0 . . . 6 6 B 7 DA C1' B 7 DA H1' 1.0 . . . 7 7 B 8 DC C1' B 8 DC H1' 1.0 . . . 8 8 B 9 DA C1' B 9 DA H1' 1.0 . . . 9 9 B 10 DC C1' B 10 DC H1' 1.0 . . . 10 10 B 11 DA C1' B 11 DA H1' 1.0 . . . 11 11 B 12 DC C1' B 12 DC H1' 1.0 . . . 12 12 B 13 DC C1' B 13 DC H1' 1.0 . . . 13 13 B 14 DC C1' B 14 DC H1' 1.0 . . . 14 14 B 15 DA C1' B 15 DA H1' 1.0 . . . 15 15 B 3 DA C2 B 3 DA H2 1.0 . . . 16 16 B 4 DA C2 B 4 DA H2 1.0 . . . 17 17 B 5 DA C2 B 5 DA H2 1.0 . . . 18 18 B 15 DA C2 B 15 DA H2 1.0 . . . 19 19 C 16 DT C6 B 1 DA H8 1.0 . . . 20 20 C 17 DG C8 B 2 DA H8 1.0 . . . 21 21 C 18 DG C8 B 3 DA H8 1.0 . . . 22 22 C 19 DG C8 B 4 DA H8 1.0 . . . 23 23 C 20 DT C6 B 5 DA H8 1.0 . . . 24 24 C 21 DG C6 B 6 DC H6 1.0 . . . 25 25 C 22 DT C6 B 7 DA H8 1.0 . . . 26 26 C 23 DG C6 B 8 DC H6 1.0 . . . 27 27 C 24 DT C6 B 9 DA H8 1.0 . . . 28 28 C 25 DG C6 B 10 DC H6 1.0 . . . 29 29 C 26 DT C6 B 11 DA H8 1.0 . . . 30 30 C 29 DT C6 B 14 DC H6 1.0 . . . 31 31 C 30 DT C6 B 15 DA H8 1.0 . . . 32 32 A 3 THR N A 3 THR H 1.0 . . . 33 33 A 4 ARG N A 4 ARG H 1.0 . . . 34 34 A 5 ASN N A 5 ASN H 1.0 . . . 35 35 A 6 PHE N A 6 PHE H 1.0 . . . 36 36 A 7 VAL N A 7 VAL H 1.0 . . . 37 37 A 8 LEU N A 8 LEU H 1.0 . . . 38 38 A 9 ARG N A 9 ARG H 1.0 . . . 39 39 A 10 ASP N A 10 ASP H 1.0 . . . 40 40 A 11 GLU N A 11 GLU H 1.0 . . . 41 41 A 12 ASP N A 12 ASP H 1.0 . . . 42 42 A 13 GLY N A 13 GLY H 1.0 . . . 43 43 A 14 ASN N A 14 ASN H 1.0 . . . 44 44 A 15 GLU N A 15 GLU H 1.0 . . . 45 45 A 16 HIS N A 16 HIS H 1.0 . . . 46 46 A 17 GLY N A 17 GLY H 1.0 . . . 47 47 A 18 VAL N A 18 VAL H 1.0 . . . 48 48 A 19 PHE N A 19 PHE H 1.0 . . . 49 49 A 20 THR N A 20 THR H 1.0 . . . 50 50 A 21 GLY N A 21 GLY H 1.0 . . . 51 51 A 22 LYS N A 22 LYS H 1.0 . . . 52 52 A 23 GLN N A 23 GLN H 1.0 . . . 53 53 A 26 GLN N A 26 GLN H 1.0 . . . 54 54 A 27 ALA N A 27 ALA H 1.0 . . . 55 55 A 28 ALA N A 28 ALA H 1.0 . . . 56 56 A 29 LEU N A 29 LEU H 1.0 . . . 57 57 A 30 LYS N A 30 LYS H 1.0 . . . 58 58 A 31 ALA N A 31 ALA H 1.0 . . . 59 59 A 32 ALA N A 32 ALA H 1.0 . . . 60 60 A 33 ASN N A 33 ASN H 1.0 . . . 61 61 A 34 ARG N A 34 ARG H 1.0 . . . 62 62 A 35 GLY N A 35 GLY H 1.0 . . . 63 63 A 36 SER N A 36 SER H 1.0 . . . 64 64 A 37 GLY N A 37 GLY H 1.0 . . . 65 65 A 38 THR N A 38 THR H 1.0 . . . 66 66 A 39 LYS N A 39 LYS H 1.0 . . . 67 67 A 40 ALA N A 40 ALA H 1.0 . . . 68 68 A 41 ASN N A 41 ASN H 1.0 . . . 69 69 A 43 ASP N A 43 ASP H 1.0 . . . 70 70 A 44 ILE N A 44 ILE H 1.0 . . . 71 71 A 45 ILE N A 45 ILE H 1.0 . . . 72 72 A 46 ARG N A 46 ARG H 1.0 . . . 73 73 A 47 LEU N A 47 LEU H 1.0 . . . 74 74 A 48 ARG N A 48 ARG H 1.0 . . . 75 75 A 49 GLU N A 49 GLU H 1.0 . . . 76 76 A 50 ARG N A 50 ARG H 1.0 . . . 77 77 A 52 THR N A 52 THR H 1.0 . . . 78 78 A 53 LYS N A 53 LYS H 1.0 . . . 79 79 A 54 LYS N A 54 LYS H 1.0 . . . 80 80 A 55 VAL N A 55 VAL H 1.0 . . . 81 81 A 56 HIS N A 56 HIS H 1.0 . . . 82 82 A 57 VAL N A 57 VAL H 1.0 . . . 83 83 A 58 PHE N A 58 PHE H 1.0 . . . 84 84 A 59 LYS N A 59 LYS H 1.0 . . . 85 85 A 60 ALA N A 60 ALA H 1.0 . . . 86 86 A 61 TRP N A 61 TRP H 1.0 . . . 87 87 A 62 LYS N A 62 LYS H 1.0 . . . 88 88 A 63 GLU N A 63 GLU H 1.0 . . . 89 89 A 64 ILE N A 64 ILE H 1.0 . . . 90 90 A 65 VAL N A 65 VAL H 1.0 . . . 91 91 A 66 ASP N A 66 ASP H 1.0 . . . 92 92 A 67 ALA N A 67 ALA H 1.0 . . . 93 93 A 69 LYS N A 69 LYS H 1.0 . . . 94 94 A 70 ASN N A 70 ASN H 1.0 . . . 95 95 A 71 ARG N A 71 ARG H 1.0 . . . 96 96 A 73 ALA N A 73 ALA H 1.0 . . . 97 97 A 74 TRP N A 74 TRP H 1.0 . . . 98 98 A 75 MET N A 75 MET H 1.0 . . . 99 99 A 77 GLU N A 77 GLU H 1.0 . . . 100 100 A 78 LYS N A 78 LYS H 1.0 . . . 101 101 A 79 ILE N A 79 ILE H 1.0 . . . 102 102 A 80 SER N A 80 SER H 1.0 . . . 103 103 A 81 LYS N A 81 LYS H 1.0 . . . 104 104 A 83 PHE N A 83 PHE H 1.0 . . . 105 105 A 84 VAL N A 84 VAL H 1.0 . . . 106 106 A 85 LYS N A 85 LYS H 1.0 . . . 107 107 A 87 GLU N A 87 GLU H 1.0 . . . 108 108 A 88 ARG N A 88 ARG H 1.0 . . . 109 109 A 89 ILE N A 89 ILE H 1.0 . . . 110 110 A 90 GLU N A 90 GLU H 1.0 . . . 111 111 A 91 LYS N A 91 LYS H 1.0 . . . 112 112 A 92 LEU N A 92 LEU H 1.0 . . . 113 113 A 93 GLU N A 93 GLU H 1.0 . . . stop_ save_