data_nef_c30154_5syq save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5SYQ stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 29 GLY start . false 2 A 30 SER middle . . 3 A 31 GLU middle . . 4 A 32 GLU middle . . 5 A 33 LYS middle . . 6 A 34 GLU middle . . 7 A 35 GLU middle . . 8 A 36 LYS middle . . 9 A 37 LYS middle . . 10 A 38 VAL middle . . 11 A 39 ARG middle . . 12 A 40 GLU middle . . 13 A 41 LEU middle . . 14 A 42 THR middle . . 15 A 43 PRO middle . false 16 A 44 GLN middle . . 17 A 45 GLU middle . . 18 A 46 LEU middle . . 19 A 47 GLU middle . . 20 A 48 LEU middle . . 21 A 49 PHE middle . . 22 A 50 LYS middle . . 23 A 51 ARG middle . . 24 A 52 ALA middle . . 25 A 53 MET middle . . 26 A 54 GLY middle . false 27 A 55 ILE middle . . 28 A 56 THR middle . . 29 A 57 PRO middle . false 30 A 58 HIS middle . . 31 A 59 ASN middle . . 32 A 60 TYR middle . . 33 A 61 TRP middle . . 34 A 62 GLN middle . . 35 A 63 TRP middle . . 36 A 64 ALA middle . . 37 A 65 SER middle . . 38 A 66 ARG middle . . 39 A 67 THR middle . . 40 A 68 ASN middle . . 41 A 69 ASN middle . . 42 A 70 PHE middle . . 43 A 71 LYS middle . . 44 A 72 LEU middle . . 45 A 73 LEU middle . . 46 A 74 THR middle . . 47 A 75 ASP middle . . 48 A 76 GLY middle . false 49 A 77 GLU middle . . 50 A 78 TRP middle . . 51 A 79 VAL middle . . 52 A 80 TRP middle . . 53 A 81 VAL middle . . 54 A 82 GLU middle . . 55 A 83 GLY middle . false 56 A 84 TYR middle . . 57 A 85 GLU middle . . 58 A 86 GLU middle . . 59 A 87 HIS middle . . 60 A 88 ILE middle . . 61 A 89 GLY middle . false 62 A 90 LYS middle . . 63 A 91 GLN middle . . 64 A 92 LEU middle . . 65 A 93 PRO middle . false 66 A 94 LEU middle . . 67 A 95 ASN middle . . 68 A 96 GLN middle . . 69 A 97 ALA middle . . 70 A 98 ARG middle . . 71 A 99 ALA middle . . 72 A 100 TRP middle . . 73 A 101 SER middle . . 74 A 102 TRP middle . . 75 A 103 GLU middle . . 76 A 104 PHE middle . . 77 A 105 ILE middle . . 78 A 106 LYS middle . . 79 A 107 ASN middle . . 80 A 108 ARG middle . . 81 A 109 LEU middle . . 82 A 110 LYS middle . . 83 A 111 GLU middle . . 84 A 112 LEU middle . . 85 A 113 ASN middle . . 86 A 114 LEU end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 32 GLU H H 1 8.340 0.020 A 32 GLU HA H 1 4.272 0.020 A 32 GLU HBy H 1 2.083 0.020 A 32 GLU HBx H 1 1.974 0.020 A 32 GLU HG2 H 1 2.270 0.020 A 32 GLU HG3 H 1 2.270 0.020 A 32 GLU C C 13 176.387 0.300 A 32 GLU CA C 13 56.858 0.300 A 32 GLU CB C 13 30.106 0.300 A 32 GLU CG C 13 36.198 0.300 A 32 GLU N N 15 121.770 0.300 A 33 LYS H H 1 8.244 0.020 A 33 LYS HA H 1 4.345 0.020 A 33 LYS HBy H 1 1.881 0.020 A 33 LYS HBx H 1 1.796 0.020 A 33 LYS HDx H 1 1.700 0.020 A 33 LYS HDy H 1 1.852 0.020 A 33 LYS HE2 H 1 3.004 0.020 A 33 LYS HE3 H 1 3.004 0.020 A 33 LYS HGy H 1 1.447 0.020 A 33 LYS HGx H 1 1.417 0.020 A 33 LYS C C 13 176.344 0.300 A 33 LYS CA C 13 56.067 0.300 A 33 LYS CB C 13 33.203 0.300 A 33 LYS CD C 13 28.969 0.300 A 33 LYS CE C 13 41.981 0.300 A 33 LYS CG C 13 24.547 0.300 A 33 LYS N N 15 122.091 0.300 A 34 GLU H H 1 8.355 0.020 A 34 GLU HA H 1 4.339 0.020 A 34 GLU HBy H 1 2.075 0.020 A 34 GLU HBx H 1 1.982 0.020 A 34 GLU HGy H 1 2.300 0.020 A 34 GLU HGx H 1 2.270 0.020 A 34 GLU C C 13 176.279 0.300 A 34 GLU CA C 13 56.133 0.300 A 34 GLU CB C 13 30.501 0.300 A 34 GLU CG C 13 36.113 0.300 A 34 GLU N N 15 122.320 0.300 A 35 GLU H H 1 8.434 0.020 A 35 GLU HA H 1 4.347 0.020 A 35 GLU HBy H 1 2.075 0.020 A 35 GLU HBx H 1 1.999 0.020 A 35 GLU HG2 H 1 2.285 0.020 A 35 GLU HG3 H 1 2.285 0.020 A 35 GLU CA C 13 56.462 0.300 A 35 GLU CB C 13 30.435 0.300 A 35 GLU CG C 13 36.113 0.300 A 35 GLU N N 15 122.961 0.300 A 36 LYS H H 1 8.439 0.020 A 36 LYS HA H 1 4.397 0.020 A 36 LYS HB2 H 1 1.925 0.020 A 36 LYS HB3 H 1 1.925 0.020 A 36 LYS C C 13 176.107 0.300 A 36 LYS CA C 13 56.528 0.300 A 36 LYS CB C 13 32.873 0.300 A 36 LYS N N 15 123.420 0.300 A 37 LYS HA H 1 4.493 0.020 A 37 LYS HB2 H 1 1.895 0.020 A 37 LYS HB3 H 1 1.895 0.020 A 37 LYS HD2 H 1 1.756 0.020 A 37 LYS HD3 H 1 1.756 0.020 A 37 LYS HE2 H 1 3.058 0.020 A 37 LYS HE3 H 1 3.058 0.020 A 37 LYS HG2 H 1 1.493 0.020 A 37 LYS HG3 H 1 1.493 0.020 A 37 LYS C C 13 175.632 0.300 A 37 LYS CA C 13 56.067 0.300 A 37 LYS CB C 13 33.269 0.300 A 37 LYS CD C 13 24.731 0.300 A 37 LYS CE C 13 42.058 0.300 A 37 LYS CG C 13 28.605 0.300 A 38 VAL H H 1 8.106 0.020 A 38 VAL HA H 1 4.626 0.020 A 38 VAL HB H 1 2.070 0.020 A 38 VAL HGx% H 1 1.275 0.020 A 38 VAL HGy% H 1 1.126 0.020 A 38 VAL C C 13 175.718 0.300 A 38 VAL CA C 13 62.459 0.300 A 38 VAL CB C 13 33.137 0.300 A 38 VAL CG1 C 13 22.042 0.300 A 38 VAL CG2 C 13 22.070 0.300 A 38 VAL N N 15 122.379 0.300 A 39 ARG H H 1 9.009 0.020 A 39 ARG HA H 1 4.957 0.020 A 39 ARG HBy H 1 1.901 0.020 A 39 ARG HBx H 1 1.789 0.020 A 39 ARG HD2 H 1 3.048 0.020 A 39 ARG HD3 H 1 3.048 0.020 A 39 ARG HGy H 1 1.575 0.020 A 39 ARG HGx H 1 1.498 0.020 A 39 ARG C C 13 174.336 0.300 A 39 ARG CA C 13 54.090 0.300 A 39 ARG CB C 13 33.071 0.300 A 39 ARG CD C 13 43.173 0.300 A 39 ARG CG C 13 25.674 0.300 A 39 ARG N N 15 123.328 0.300 A 40 GLU H H 1 8.379 0.020 A 40 GLU HA H 1 4.609 0.020 A 40 GLU HBy H 1 2.244 0.020 A 40 GLU HBx H 1 1.954 0.020 A 40 GLU HG2 H 1 2.351 0.020 A 40 GLU HG3 H 1 2.351 0.020 A 40 GLU C C 13 177.618 0.300 A 40 GLU CA C 13 56.528 0.300 A 40 GLU CB C 13 30.633 0.300 A 40 GLU CG C 13 37.127 0.300 A 40 GLU N N 15 118.231 0.300 A 41 LEU H H 1 8.146 0.020 A 41 LEU HA H 1 4.504 0.020 A 41 LEU HBy H 1 1.918 0.020 A 41 LEU HBx H 1 1.537 0.020 A 41 LEU HDx% H 1 0.750 0.020 A 41 LEU HDy% H 1 0.733 0.020 A 41 LEU HG H 1 1.828 0.020 A 41 LEU C C 13 178.611 0.300 A 41 LEU CA C 13 56.462 0.300 A 41 LEU CB C 13 41.509 0.300 A 41 LEU CD1 C 13 25.145 0.300 A 41 LEU CD2 C 13 23.230 0.300 A 41 LEU CG C 13 29.449 0.300 A 41 LEU N N 15 122.732 0.300 A 42 THR H H 1 9.198 0.020 A 42 THR HA H 1 4.666 0.020 A 42 THR HB H 1 4.647 0.020 A 42 THR HG2% H 1 1.326 0.020 A 42 THR C C 13 173.883 0.300 A 42 THR CA C 13 60.086 0.300 A 42 THR CB C 13 68.191 0.300 A 42 THR N N 15 114.255 0.300 A 43 PRO HA H 1 4.284 0.020 A 43 PRO HBy H 1 2.422 0.020 A 43 PRO HBx H 1 1.936 0.020 A 43 PRO HDy H 1 3.832 0.020 A 43 PRO HDx H 1 3.413 0.020 A 43 PRO HG2 H 1 2.057 0.020 A 43 PRO HG3 H 1 2.057 0.020 A 43 PRO C C 13 179.690 0.300 A 43 PRO CA C 13 65.885 0.300 A 43 PRO CB C 13 31.556 0.300 A 43 PRO CD C 13 50.452 0.300 A 43 PRO CG C 13 28.076 0.300 A 44 GLN H H 1 8.256 0.020 A 44 GLN HA H 1 4.036 0.020 A 44 GLN HBy H 1 2.062 0.020 A 44 GLN HBx H 1 1.941 0.020 A 44 GLN HG2 H 1 2.448 0.020 A 44 GLN HG3 H 1 2.448 0.020 A 44 GLN C C 13 179.237 0.300 A 44 GLN CA C 13 59.559 0.300 A 44 GLN CB C 13 27.866 0.300 A 44 GLN CG C 13 34.166 0.300 A 44 GLN N N 15 116.307 0.300 A 45 GLU H H 1 7.883 0.020 A 45 GLU HA H 1 3.922 0.020 A 45 GLU HBy H 1 2.682 0.020 A 45 GLU HBx H 1 2.109 0.020 A 45 GLU HGy H 1 2.334 0.020 A 45 GLU HGx H 1 2.035 0.020 A 45 GLU C C 13 178.827 0.300 A 45 GLU CA C 13 59.230 0.300 A 45 GLU CB C 13 30.567 0.300 A 45 GLU CG C 13 37.168 0.300 A 45 GLU N N 15 121.312 0.300 A 46 LEU H H 1 8.649 0.020 A 46 LEU HA H 1 4.041 0.020 A 46 LEU HBy H 1 1.829 0.020 A 46 LEU HBx H 1 1.555 0.020 A 46 LEU HDx% H 1 0.861 0.020 A 46 LEU HDy% H 1 0.861 0.020 A 46 LEU HG H 1 1.415 0.020 A 46 LEU C C 13 178.567 0.300 A 46 LEU CA C 13 57.846 0.300 A 46 LEU CB C 13 41.044 0.300 A 46 LEU CD1 C 13 25.074 0.300 A 46 LEU CD2 C 13 23.444 0.300 A 46 LEU CG C 13 27.390 0.300 A 46 LEU N N 15 120.441 0.300 A 47 GLU H H 1 7.795 0.020 A 47 GLU HA H 1 3.926 0.020 A 47 GLU HB2 H 1 2.066 0.020 A 47 GLU HB3 H 1 2.066 0.020 A 47 GLU HG2 H 1 2.276 0.020 A 47 GLU HG3 H 1 2.276 0.020 A 47 GLU C C 13 179.129 0.300 A 47 GLU CA C 13 59.493 0.300 A 47 GLU CB C 13 29.052 0.300 A 47 GLU CG C 13 35.710 0.300 A 47 GLU N N 15 118.750 0.300 A 48 LEU H H 1 7.723 0.020 A 48 LEU HA H 1 4.003 0.020 A 48 LEU HBy H 1 2.119 0.020 A 48 LEU HBx H 1 1.623 0.020 A 48 LEU HDx% H 1 0.881 0.020 A 48 LEU HDy% H 1 0.859 0.020 A 48 LEU HG H 1 1.901 0.020 A 48 LEU C C 13 178.136 0.300 A 48 LEU CA C 13 58.373 0.300 A 48 LEU CB C 13 41.703 0.300 A 48 LEU CD1 C 13 25.331 0.300 A 48 LEU CD2 C 13 23.444 0.300 A 48 LEU CG C 13 26.875 0.300 A 48 LEU N N 15 119.856 0.300 A 49 PHE H H 1 8.539 0.020 A 49 PHE HA H 1 3.539 0.020 A 49 PHE HBy H 1 3.271 0.020 A 49 PHE HBx H 1 2.743 0.020 A 49 PHE HDx H 1 6.453 0.020 A 49 PHE HDy H 1 6.453 0.020 A 49 PHE HEx H 1 6.259 0.020 A 49 PHE HEy H 1 6.259 0.020 A 49 PHE HZ H 1 5.769 0.020 A 49 PHE C C 13 176.128 0.300 A 49 PHE CA C 13 62.590 0.300 A 49 PHE CB C 13 39.331 0.300 A 49 PHE CDx C 13 130.295 0.300 A 49 PHE CDy C 13 130.295 0.300 A 49 PHE CEx C 13 130.557 0.300 A 49 PHE CEy C 13 130.557 0.300 A 49 PHE CZ C 13 129.396 0.300 A 49 PHE N N 15 119.456 0.300 A 50 LYS H H 1 8.370 0.020 A 50 LYS HA H 1 3.260 0.020 A 50 LYS HBy H 1 1.798 0.020 A 50 LYS HBx H 1 1.636 0.020 A 50 LYS HD2 H 1 1.384 0.020 A 50 LYS HD3 H 1 1.384 0.020 A 50 LYS HEy H 1 2.200 0.020 A 50 LYS HEx H 1 2.056 0.020 A 50 LYS HG2 H 1 0.938 0.020 A 50 LYS HG3 H 1 0.938 0.020 A 50 LYS C C 13 178.287 0.300 A 50 LYS CA C 13 59.955 0.300 A 50 LYS CB C 13 32.544 0.300 A 50 LYS CD C 13 29.877 0.300 A 50 LYS CE C 13 41.457 0.300 A 50 LYS CG C 13 26.275 0.300 A 50 LYS N N 15 116.445 0.300 A 51 ARG H H 1 7.827 0.020 A 51 ARG HA H 1 3.936 0.020 A 51 ARG HBy H 1 1.791 0.020 A 51 ARG HBx H 1 1.711 0.020 A 51 ARG HD2 H 1 3.109 0.020 A 51 ARG HD3 H 1 3.109 0.020 A 51 ARG HG2 H 1 1.508 0.020 A 51 ARG HG3 H 1 1.508 0.020 A 51 ARG C C 13 179.237 0.300 A 51 ARG CA C 13 58.637 0.300 A 51 ARG CB C 13 30.304 0.300 A 51 ARG CD C 13 43.602 0.300 A 51 ARG CG C 13 27.304 0.300 A 51 ARG N N 15 117.793 0.300 A 52 ALA H H 1 8.445 0.020 A 52 ALA HA H 1 3.553 0.020 A 52 ALA HB% H 1 1.197 0.020 A 52 ALA C C 13 178.460 0.300 A 52 ALA CA C 13 54.815 0.300 A 52 ALA CB C 13 20.420 0.300 A 52 ALA N N 15 121.083 0.300 A 53 MET H H 1 7.357 0.020 A 53 MET HA H 1 4.064 0.020 A 53 MET HBy H 1 0.884 0.020 A 53 MET HBx H 1 0.569 0.020 A 53 MET HE% H 1 1.182 0.020 A 53 MET HG2 H 1 1.170 0.020 A 53 MET HG3 H 1 1.170 0.020 A 53 MET C C 13 176.430 0.300 A 53 MET CA C 13 53.168 0.300 A 53 MET CB C 13 30.435 0.300 A 53 MET CE C 13 17.458 0.300 A 53 MET CG C 13 32.135 0.300 A 53 MET N N 15 110.557 0.300 A 54 GLY H H 1 7.365 0.020 A 54 GLY HA2 H 1 3.738 0.020 A 54 GLY HA3 H 1 3.738 0.020 A 54 GLY C C 13 174.595 0.300 A 54 GLY CA C 13 46.645 0.300 A 54 GLY N N 15 108.400 0.300 A 55 ILE H H 1 7.811 0.020 A 55 ILE HA H 1 4.159 0.020 A 55 ILE HB H 1 1.365 0.020 A 55 ILE HD1% H 1 0.011 0.020 A 55 ILE HG1y H 1 0.665 0.020 A 55 ILE HG1x H 1 0.632 0.020 A 55 ILE HG2% H 1 0.810 0.020 A 55 ILE C C 13 175.826 0.300 A 55 ILE CA C 13 62.459 0.300 A 55 ILE CB C 13 36.234 0.300 A 55 ILE CD1 C 13 13.932 0.300 A 55 ILE CG1 C 13 26.618 0.300 A 55 ILE CG2 C 13 16.868 0.300 A 55 ILE N N 15 120.881 0.300 A 56 THR H H 1 9.650 0.020 A 56 THR HA H 1 4.931 0.020 A 56 THR HB H 1 4.729 0.020 A 56 THR HG2% H 1 1.182 0.020 A 56 THR C C 13 173.451 0.300 A 56 THR CA C 13 59.296 0.300 A 56 THR CB C 13 70.311 0.300 A 56 THR CG2 C 13 20.265 0.300 A 56 THR N N 15 124.199 0.300 A 58 HIS HA H 1 4.630 0.020 A 58 HIS HBy H 1 3.192 0.020 A 58 HIS HBx H 1 3.016 0.020 A 58 HIS HD2 H 1 7.112 0.020 A 58 HIS C C 13 176.776 0.300 A 58 HIS CA C 13 58.044 0.300 A 58 HIS CB C 13 30.963 0.300 A 58 HIS CD2 C 13 119.402 0.300 A 59 ASN H H 1 7.727 0.020 A 59 ASN HA H 1 5.147 0.020 A 59 ASN HBy H 1 3.500 0.020 A 59 ASN HBx H 1 2.794 0.020 A 59 ASN C C 13 177.574 0.300 A 59 ASN CA C 13 52.048 0.300 A 59 ASN CB C 13 38.935 0.300 A 59 ASN N N 15 115.116 0.300 A 60 TYR H H 1 7.874 0.020 A 60 TYR HA H 1 3.876 0.020 A 60 TYR HBy H 1 3.336 0.020 A 60 TYR HBx H 1 2.706 0.020 A 60 TYR HDx H 1 6.346 0.020 A 60 TYR HDy H 1 6.346 0.020 A 60 TYR HEx H 1 6.221 0.020 A 60 TYR HEy H 1 6.221 0.020 A 60 TYR C C 13 177.143 0.300 A 60 TYR CA C 13 63.513 0.300 A 60 TYR CB C 13 39.067 0.300 A 60 TYR CDx C 13 132.929 0.300 A 60 TYR CDy C 13 132.929 0.300 A 60 TYR CEx C 13 117.909 0.300 A 60 TYR CEy C 13 117.909 0.300 A 60 TYR N N 15 121.999 0.300 A 61 TRP H H 1 8.573 0.020 A 61 TRP HA H 1 4.468 0.020 A 61 TRP HBy H 1 3.477 0.020 A 61 TRP HBx H 1 3.405 0.020 A 61 TRP HD1 H 1 7.624 0.020 A 61 TRP HE3 H 1 7.712 0.020 A 61 TRP HH2 H 1 7.352 0.020 A 61 TRP HZ2 H 1 7.588 0.020 A 61 TRP HZ3 H 1 7.276 0.020 A 61 TRP C C 13 179.086 0.300 A 61 TRP CA C 13 59.757 0.300 A 61 TRP CB C 13 27.866 0.300 A 61 TRP CD1 C 13 127.973 0.300 A 61 TRP CE3 C 13 121.369 0.300 A 61 TRP CH2 C 13 125.037 0.300 A 61 TRP CZ2 C 13 114.672 0.300 A 61 TRP CZ3 C 13 122.070 0.300 A 61 TRP N N 15 117.167 0.300 A 62 GLN H H 1 7.646 0.020 A 62 GLN HA H 1 3.889 0.020 A 62 GLN HB2 H 1 1.895 0.020 A 62 GLN HB3 H 1 1.895 0.020 A 62 GLN HG2 H 1 1.942 0.020 A 62 GLN HG3 H 1 1.942 0.020 A 62 GLN C C 13 179.301 0.300 A 62 GLN CA C 13 58.900 0.300 A 62 GLN CB C 13 28.063 0.300 A 62 GLN CG C 13 33.480 0.300 A 62 GLN N N 15 122.412 0.300 A 63 TRP H H 1 7.803 0.020 A 63 TRP HA H 1 3.967 0.020 A 63 TRP HB2 H 1 3.097 0.020 A 63 TRP HB3 H 1 3.097 0.020 A 63 TRP HD1 H 1 7.092 0.020 A 63 TRP HE1 H 1 10.007 0.020 A 63 TRP HE3 H 1 7.328 0.020 A 63 TRP HH2 H 1 6.944 0.020 A 63 TRP HZ2 H 1 7.472 0.020 A 63 TRP HZ3 H 1 7.133 0.020 A 63 TRP C C 13 179.323 0.300 A 63 TRP CA C 13 61.338 0.300 A 63 TRP CB C 13 29.447 0.300 A 63 TRP CD1 C 13 127.053 0.300 A 63 TRP CE3 C 13 118.610 0.300 A 63 TRP CH2 C 13 121.165 0.300 A 63 TRP CZ2 C 13 115.650 0.300 A 63 TRP CZ3 C 13 124.874 0.300 A 63 TRP N N 15 120.685 0.300 A 63 TRP NE1 N 15 128.614 0.300 A 64 ALA H H 1 9.405 0.020 A 64 ALA HA H 1 3.140 0.020 A 64 ALA HB% H 1 1.401 0.020 A 64 ALA C C 13 179.625 0.300 A 64 ALA CA C 13 55.738 0.300 A 64 ALA CB C 13 17.587 0.300 A 64 ALA N N 15 126.215 0.300 A 65 SER H H 1 7.708 0.020 A 65 SER HA H 1 4.293 0.020 A 65 SER HB2 H 1 3.938 0.020 A 65 SER HB3 H 1 3.938 0.020 A 65 SER C C 13 177.359 0.300 A 65 SER CA C 13 61.207 0.300 A 65 SER CB C 13 62.459 0.300 A 65 SER N N 15 112.913 0.300 A 66 ARG H H 1 7.569 0.020 A 66 ARG HA H 1 4.026 0.020 A 66 ARG HBy H 1 1.692 0.020 A 66 ARG HBx H 1 1.611 0.020 A 66 ARG HDy H 1 2.499 0.020 A 66 ARG HDx H 1 2.324 0.020 A 66 ARG HG2 H 1 1.398 0.020 A 66 ARG HG3 H 1 1.398 0.020 A 66 ARG C C 13 176.279 0.300 A 66 ARG CA C 13 58.241 0.300 A 66 ARG CB C 13 31.424 0.300 A 66 ARG CD C 13 43.298 0.300 A 66 ARG CG C 13 26.961 0.300 A 66 ARG N N 15 119.568 0.300 A 67 THR H H 1 7.219 0.020 A 67 THR HA H 1 4.628 0.020 A 67 THR HB H 1 4.256 0.020 A 67 THR HG2% H 1 1.302 0.020 A 67 THR C C 13 172.933 0.300 A 67 THR CA C 13 59.889 0.300 A 67 THR CB C 13 69.907 0.300 A 67 THR N N 15 102.542 0.300 A 68 ASN H H 1 7.683 0.020 A 68 ASN HA H 1 4.419 0.020 A 68 ASN HBy H 1 3.181 0.020 A 68 ASN HBx H 1 2.873 0.020 A 68 ASN C C 13 174.790 0.300 A 68 ASN CA C 13 53.893 0.300 A 68 ASN CB C 13 36.102 0.300 A 68 ASN N N 15 119.752 0.300 A 69 ASN H H 1 9.491 0.020 A 69 ASN HA H 1 3.884 0.020 A 69 ASN HBy H 1 3.232 0.020 A 69 ASN HBx H 1 2.870 0.020 A 69 ASN C C 13 174.120 0.300 A 69 ASN CA C 13 54.024 0.300 A 69 ASN CB C 13 36.366 0.300 A 69 ASN N N 15 112.265 0.300 A 70 PHE H H 1 7.639 0.020 A 70 PHE HA H 1 3.230 0.020 A 70 PHE HBy H 1 3.182 0.020 A 70 PHE HBx H 1 3.106 0.020 A 70 PHE HDx H 1 6.890 0.020 A 70 PHE HDy H 1 6.890 0.020 A 70 PHE HEx H 1 6.787 0.020 A 70 PHE HEy H 1 6.787 0.020 A 70 PHE HZ H 1 6.642 0.020 A 70 PHE C C 13 174.747 0.300 A 70 PHE CA C 13 60.021 0.300 A 70 PHE CB C 13 35.114 0.300 A 70 PHE CDx C 13 132.009 0.300 A 70 PHE CDy C 13 132.009 0.300 A 70 PHE CEx C 13 130.299 0.300 A 70 PHE CEy C 13 130.299 0.300 A 70 PHE CZ C 13 127.795 0.300 A 70 PHE N N 15 113.274 0.300 A 71 LYS H H 1 8.106 0.020 A 71 LYS HA H 1 4.611 0.020 A 71 LYS HBy H 1 2.144 0.020 A 71 LYS HBx H 1 1.851 0.020 A 71 LYS HD2 H 1 1.787 0.020 A 71 LYS HD3 H 1 1.787 0.020 A 71 LYS HE2 H 1 3.072 0.020 A 71 LYS HE3 H 1 3.072 0.020 A 71 LYS HG2 H 1 1.539 0.020 A 71 LYS HG3 H 1 1.539 0.020 A 71 LYS C C 13 174.401 0.300 A 71 LYS CA C 13 55.079 0.300 A 71 LYS CB C 13 29.974 0.300 A 71 LYS CD C 13 28.934 0.300 A 71 LYS CE C 13 42.316 0.300 A 71 LYS CG C 13 25.074 0.300 A 71 LYS N N 15 125.023 0.300 A 72 LEU H H 1 7.281 0.020 A 72 LEU HA H 1 5.015 0.020 A 72 LEU HBy H 1 1.462 0.020 A 72 LEU HBx H 1 0.882 0.020 A 72 LEU HDx% H 1 0.554 0.020 A 72 LEU HDy% H 1 0.073 0.020 A 72 LEU HG H 1 1.136 0.020 A 72 LEU C C 13 176.107 0.300 A 72 LEU CA C 13 52.707 0.300 A 72 LEU CB C 13 45.195 0.300 A 72 LEU CD1 C 13 24.776 0.300 A 72 LEU CD2 C 13 25.650 0.300 A 72 LEU CG C 13 27.304 0.300 A 72 LEU N N 15 121.587 0.300 A 73 LEU H H 1 8.790 0.020 A 73 LEU HA H 1 4.683 0.020 A 73 LEU HBy H 1 0.669 0.020 A 73 LEU HBx H 1 0.193 0.020 A 73 LEU HDx% H 1 0.878 0.020 A 73 LEU HDy% H 1 0.654 0.020 A 73 LEU HG H 1 1.239 0.020 A 73 LEU C C 13 174.574 0.300 A 73 LEU CA C 13 52.707 0.300 A 73 LEU CB C 13 45.459 0.300 A 73 LEU CD1 C 13 25.589 0.300 A 73 LEU CD2 C 13 23.015 0.300 A 73 LEU CG C 13 27.476 0.300 A 73 LEU N N 15 123.878 0.300 A 74 THR H H 1 8.798 0.020 A 74 THR HA H 1 5.283 0.020 A 74 THR HB H 1 4.206 0.020 A 74 THR HG2% H 1 1.233 0.020 A 74 THR C C 13 170.710 0.300 A 74 THR CA C 13 58.769 0.300 A 74 THR CB C 13 72.079 0.300 A 74 THR CG2 C 13 24.845 0.300 A 74 THR N N 15 108.774 0.300 A 75 ASP H H 1 8.368 0.020 A 75 ASP HA H 1 5.542 0.020 A 75 ASP HBy H 1 3.425 0.020 A 75 ASP HBx H 1 2.895 0.020 A 75 ASP C C 13 178.330 0.300 A 75 ASP CA C 13 52.707 0.300 A 75 ASP CB C 13 42.297 0.300 A 75 ASP N N 15 123.878 0.300 A 76 GLY H H 1 9.217 0.020 A 76 GLY HAy H 1 4.727 0.020 A 76 GLY HAx H 1 3.638 0.020 A 76 GLY C C 13 173.430 0.300 A 76 GLY CA C 13 45.393 0.300 A 76 GLY N N 15 109.407 0.300 A 77 GLU H H 1 9.393 0.020 A 77 GLU HA H 1 4.896 0.020 A 77 GLU HBy H 1 2.525 0.020 A 77 GLU HBx H 1 2.389 0.020 A 77 GLU HG2 H 1 2.299 0.020 A 77 GLU HG3 H 1 2.299 0.020 A 77 GLU C C 13 176.668 0.300 A 77 GLU CA C 13 58.505 0.300 A 77 GLU CB C 13 32.610 0.300 A 77 GLU CG C 13 36.568 0.300 A 77 GLU N N 15 122.228 0.300 A 78 TRP H H 1 10.541 0.020 A 78 TRP HA H 1 5.032 0.020 A 78 TRP HB2 H 1 3.460 0.020 A 78 TRP HB3 H 1 3.460 0.020 A 78 TRP HD1 H 1 7.541 0.020 A 78 TRP HE3 H 1 7.527 0.020 A 78 TRP HH2 H 1 7.332 0.020 A 78 TRP HZ2 H 1 7.688 0.020 A 78 TRP HZ3 H 1 7.025 0.020 A 78 TRP C C 13 175.545 0.300 A 78 TRP CA C 13 57.714 0.300 A 78 TRP CB C 13 32.544 0.300 A 78 TRP CD1 C 13 127.912 0.300 A 78 TRP CE3 C 13 120.454 0.300 A 78 TRP CH2 C 13 123.876 0.300 A 78 TRP CZ2 C 13 114.846 0.300 A 78 TRP CZ3 C 13 121.880 0.300 A 78 TRP N N 15 124.818 0.300 A 79 VAL H H 1 9.838 0.020 A 79 VAL HA H 1 5.248 0.020 A 79 VAL HB H 1 1.957 0.020 A 79 VAL HGx% H 1 0.652 0.020 A 79 VAL HGy% H 1 0.018 0.020 A 79 VAL C C 13 174.747 0.300 A 79 VAL CA C 13 60.765 0.300 A 79 VAL CB C 13 34.455 0.300 A 79 VAL CG1 C 13 25.932 0.300 A 79 VAL CG2 C 13 21.803 0.300 A 79 VAL N N 15 125.756 0.300 A 80 TRP H H 1 9.172 0.020 A 80 TRP HA H 1 5.679 0.020 A 80 TRP HBy H 1 3.425 0.020 A 80 TRP HBx H 1 3.062 0.020 A 80 TRP HD1 H 1 7.092 0.020 A 80 TRP HE1 H 1 10.302 0.020 A 80 TRP HE3 H 1 7.262 0.020 A 80 TRP HH2 H 1 6.978 0.020 A 80 TRP HZ2 H 1 7.425 0.020 A 80 TRP HZ3 H 1 7.121 0.020 A 80 TRP C C 13 173.235 0.300 A 80 TRP CA C 13 57.055 0.300 A 80 TRP CB C 13 32.478 0.300 A 80 TRP CD1 C 13 127.537 0.300 A 80 TRP CE3 C 13 121.718 0.300 A 80 TRP CH2 C 13 123.043 0.300 A 80 TRP CZ2 C 13 114.452 0.300 A 80 TRP CZ3 C 13 121.830 0.300 A 80 TRP N N 15 124.199 0.300 A 80 TRP NE1 N 15 130.454 0.300 A 81 VAL H H 1 8.228 0.020 A 81 VAL HA H 1 4.208 0.020 A 81 VAL HB H 1 2.024 0.020 A 81 VAL HGx% H 1 1.150 0.020 A 81 VAL HGy% H 1 1.184 0.020 A 81 VAL C C 13 176.107 0.300 A 81 VAL CA C 13 61.536 0.300 A 81 VAL CB C 13 32.544 0.300 A 81 VAL CG1 C 13 23.553 0.300 A 81 VAL CG2 C 13 20.614 0.300 A 81 VAL N N 15 120.547 0.300 A 82 GLU H H 1 8.592 0.020 A 82 GLU HA H 1 4.071 0.020 A 82 GLU HBy H 1 2.127 0.020 A 82 GLU HBx H 1 1.907 0.020 A 82 GLU HG2 H 1 2.302 0.020 A 82 GLU HG3 H 1 2.302 0.020 A 82 GLU C C 13 176.128 0.300 A 82 GLU CA C 13 59.559 0.300 A 82 GLU CB C 13 30.304 0.300 A 82 GLU CG C 13 36.311 0.300 A 82 GLU N N 15 129.330 0.300 A 83 GLY H H 1 9.123 0.020 A 83 GLY HAy H 1 4.361 0.020 A 83 GLY HAx H 1 3.746 0.020 A 83 GLY C C 13 176.236 0.300 A 83 GLY CA C 13 45.195 0.300 A 83 GLY N N 15 115.738 0.300 A 84 TYR H H 1 8.829 0.020 A 84 TYR HA H 1 4.389 0.020 A 84 TYR HBy H 1 2.797 0.020 A 84 TYR HBx H 1 2.688 0.020 A 84 TYR HDx H 1 6.429 0.020 A 84 TYR HDy H 1 6.429 0.020 A 84 TYR HEx H 1 6.695 0.020 A 84 TYR HEy H 1 6.695 0.020 A 84 TYR C C 13 175.329 0.300 A 84 TYR CA C 13 58.241 0.300 A 84 TYR CB C 13 36.234 0.300 A 84 TYR CDx C 13 133.061 0.300 A 84 TYR CDy C 13 133.061 0.300 A 84 TYR CEx C 13 117.690 0.300 A 84 TYR CEy C 13 117.690 0.300 A 84 TYR N N 15 120.121 0.300 A 85 GLU H H 1 9.141 0.020 A 85 GLU HA H 1 2.983 0.020 A 85 GLU HBy H 1 1.681 0.020 A 85 GLU HBx H 1 1.405 0.020 A 85 GLU HG2 H 1 2.202 0.020 A 85 GLU HG3 H 1 2.202 0.020 A 85 GLU C C 13 178.848 0.300 A 85 GLU CA C 13 60.416 0.300 A 85 GLU CB C 13 27.536 0.300 A 85 GLU CG C 13 36.654 0.300 A 85 GLU N N 15 121.404 0.300 A 86 GLU H H 1 8.604 0.020 A 86 GLU HA H 1 3.927 0.020 A 86 GLU HB2 H 1 1.944 0.020 A 86 GLU HB3 H 1 1.944 0.020 A 86 GLU HG2 H 1 2.159 0.020 A 86 GLU HG3 H 1 2.159 0.020 A 86 GLU C C 13 176.776 0.300 A 86 GLU CA C 13 57.978 0.300 A 86 GLU CB C 13 29.249 0.300 A 86 GLU CG C 13 36.311 0.300 A 86 GLU N N 15 118.114 0.300 A 87 HIS H H 1 8.084 0.020 A 87 HIS HA H 1 4.125 0.020 A 87 HIS HBy H 1 3.207 0.020 A 87 HIS HBx H 1 3.064 0.020 A 87 HIS HD2 H 1 6.649 0.020 A 87 HIS C C 13 176.517 0.300 A 87 HIS CA C 13 56.924 0.300 A 87 HIS CB C 13 32.742 0.300 A 87 HIS CD2 C 13 113.950 0.300 A 87 HIS N N 15 117.252 0.300 A 88 ILE H H 1 7.186 0.020 A 88 ILE HA H 1 2.302 0.020 A 88 ILE HB H 1 1.048 0.020 A 88 ILE HD1% H 1 -0.498 0.020 A 88 ILE HG1y H 1 0.968 0.020 A 88 ILE HG1x H 1 0.120 0.020 A 88 ILE HG2% H 1 -0.450 0.020 A 88 ILE C C 13 176.560 0.300 A 88 ILE CA C 13 64.040 0.300 A 88 ILE CB C 13 37.222 0.300 A 88 ILE CD1 C 13 12.275 0.300 A 88 ILE CG1 C 13 28.493 0.300 A 88 ILE CG2 C 13 14.456 0.300 A 88 ILE N N 15 120.900 0.300 A 89 GLY HAy H 1 3.777 0.020 A 89 GLY HAx H 1 3.293 0.020 A 89 GLY C C 13 173.646 0.300 A 89 GLY CA C 13 45.261 0.300 A 90 LYS H H 1 7.124 0.020 A 90 LYS HA H 1 4.373 0.020 A 90 LYS HB2 H 1 1.559 0.020 A 90 LYS HB3 H 1 1.559 0.020 A 90 LYS HD2 H 1 1.328 0.020 A 90 LYS HD3 H 1 1.328 0.020 A 90 LYS HG2 H 1 1.109 0.020 A 90 LYS HG3 H 1 1.109 0.020 A 90 LYS C C 13 175.567 0.300 A 90 LYS CA C 13 54.815 0.300 A 90 LYS CB C 13 33.730 0.300 A 90 LYS N N 15 119.499 0.300 A 91 GLN HA H 1 4.465 0.020 A 91 GLN HBy H 1 2.092 0.020 A 91 GLN HBx H 1 2.007 0.020 A 91 GLN HG2 H 1 2.272 0.020 A 91 GLN HG3 H 1 2.272 0.020 A 91 GLN C C 13 174.876 0.300 A 91 GLN CA C 13 55.210 0.300 A 91 GLN CB C 13 27.997 0.300 A 91 GLN CG C 13 33.823 0.300 A 92 LEU H H 1 8.003 0.020 A 92 LEU HA H 1 4.649 0.020 A 92 LEU HBy H 1 1.367 0.020 A 92 LEU HBx H 1 1.139 0.020 A 92 LEU HDx% H 1 0.629 0.020 A 92 LEU HDy% H 1 0.281 0.020 A 92 LEU HG H 1 1.248 0.020 A 92 LEU C C 13 174.315 0.300 A 92 LEU CA C 13 52.443 0.300 A 92 LEU CB C 13 43.087 0.300 A 92 LEU CD1 C 13 22.810 0.300 A 92 LEU CD2 C 13 24.501 0.300 A 92 LEU CG C 13 27.297 0.300 A 92 LEU N N 15 126.490 0.300 A 93 PRO HA H 1 4.343 0.020 A 93 PRO HBy H 1 2.415 0.020 A 93 PRO HBx H 1 1.930 0.020 A 93 PRO HD2 H 1 3.954 0.020 A 93 PRO HD3 H 1 3.954 0.020 A 93 PRO HGy H 1 2.232 0.020 A 93 PRO HGx H 1 2.088 0.020 A 93 PRO CB C 13 31.556 0.300 A 93 PRO CD C 13 50.104 0.300 A 93 PRO CG C 13 27.950 0.300 A 95 ASN HA H 1 4.501 0.020 A 95 ASN HBy H 1 2.932 0.020 A 95 ASN HBx H 1 2.814 0.020 A 95 ASN C C 13 175.480 0.300 A 95 ASN CA C 13 54.749 0.300 A 95 ASN CB C 13 37.156 0.300 A 96 GLN H H 1 7.712 0.020 A 96 GLN HA H 1 4.358 0.020 A 96 GLN HBy H 1 2.084 0.020 A 96 GLN HBx H 1 1.752 0.020 A 96 GLN HG2 H 1 2.289 0.020 A 96 GLN HG3 H 1 2.289 0.020 A 96 GLN C C 13 175.891 0.300 A 96 GLN CA C 13 55.738 0.300 A 96 GLN CB C 13 31.819 0.300 A 96 GLN CG C 13 33.647 0.300 A 96 GLN N N 15 117.102 0.300 A 97 ALA H H 1 7.499 0.020 A 97 ALA HA H 1 3.979 0.020 A 97 ALA HB% H 1 1.219 0.020 A 97 ALA C C 13 178.481 0.300 A 97 ALA CA C 13 53.563 0.300 A 97 ALA CB C 13 19.827 0.300 A 97 ALA N N 15 121.724 0.300 A 98 ARG H H 1 10.810 0.020 A 98 ARG HA H 1 3.964 0.020 A 98 ARG HBy H 1 1.425 0.020 A 98 ARG HBx H 1 0.854 0.020 A 98 ARG HDy H 1 2.587 0.020 A 98 ARG HDx H 1 2.053 0.020 A 98 ARG HGy H 1 1.012 0.020 A 98 ARG HGx H 1 0.774 0.020 A 98 ARG C C 13 172.199 0.300 A 98 ARG CA C 13 53.959 0.300 A 98 ARG CB C 13 30.040 0.300 A 98 ARG CD C 13 42.976 0.300 A 98 ARG CG C 13 27.476 0.300 A 98 ARG N N 15 123.817 0.300 A 99 ALA H H 1 6.200 0.020 A 99 ALA HA H 1 5.074 0.020 A 99 ALA HB% H 1 1.318 0.020 A 99 ALA C C 13 175.740 0.300 A 99 ALA CA C 13 51.586 0.300 A 99 ALA CB C 13 23.780 0.300 A 99 ALA N N 15 115.496 0.300 A 100 TRP H H 1 9.944 0.020 A 100 TRP HA H 1 4.999 0.020 A 100 TRP HBy H 1 3.109 0.020 A 100 TRP HBx H 1 2.942 0.020 A 100 TRP HD1 H 1 6.837 0.020 A 100 TRP HE1 H 1 10.257 0.020 A 100 TRP HE3 H 1 7.486 0.020 A 100 TRP HH2 H 1 6.812 0.020 A 100 TRP HZ2 H 1 7.613 0.020 A 100 TRP HZ3 H 1 6.654 0.020 A 100 TRP C C 13 174.358 0.300 A 100 TRP CA C 13 57.385 0.300 A 100 TRP CB C 13 33.071 0.300 A 100 TRP CD1 C 13 126.188 0.300 A 100 TRP CE3 C 13 121.366 0.300 A 100 TRP CH2 C 13 121.881 0.300 A 100 TRP CZ2 C 13 115.082 0.300 A 100 TRP CZ3 C 13 121.396 0.300 A 100 TRP N N 15 120.396 0.300 A 100 TRP NE1 N 15 130.091 0.300 A 101 SER H H 1 8.584 0.020 A 101 SER HA H 1 3.720 0.020 A 101 SER HBy H 1 3.647 0.020 A 101 SER HBx H 1 2.516 0.020 A 101 SER C C 13 175.653 0.300 A 101 SER CA C 13 57.319 0.300 A 101 SER CB C 13 62.913 0.300 A 101 SER N N 15 121.404 0.300 A 102 TRP H H 1 8.796 0.020 A 102 TRP HA H 1 4.569 0.020 A 102 TRP HBy H 1 3.214 0.020 A 102 TRP HBx H 1 3.056 0.020 A 102 TRP HD1 H 1 6.489 0.020 A 102 TRP HE1 H 1 9.640 0.020 A 102 TRP HE3 H 1 7.623 0.020 A 102 TRP HH2 H 1 7.299 0.020 A 102 TRP HZ2 H 1 7.067 0.020 A 102 TRP HZ3 H 1 7.014 0.020 A 102 TRP C C 13 178.891 0.300 A 102 TRP CA C 13 61.207 0.300 A 102 TRP CB C 13 28.854 0.300 A 102 TRP CD1 C 13 124.735 0.300 A 102 TRP CE3 C 13 121.424 0.300 A 102 TRP CH2 C 13 123.669 0.300 A 102 TRP CZ2 C 13 113.938 0.300 A 102 TRP CZ3 C 13 121.337 0.300 A 102 TRP N N 15 121.358 0.300 A 102 TRP NE1 N 15 127.481 0.300 A 103 GLU H H 1 8.363 0.020 A 103 GLU HA H 1 4.052 0.020 A 103 GLU HBy H 1 2.034 0.020 A 103 GLU HBx H 1 1.987 0.020 A 103 GLU HGy H 1 2.345 0.020 A 103 GLU HGx H 1 2.241 0.020 A 103 GLU C C 13 177.747 0.300 A 103 GLU CA C 13 59.691 0.300 A 103 GLU CB C 13 29.645 0.300 A 103 GLU CG C 13 35.595 0.300 A 103 GLU N N 15 119.671 0.300 A 104 PHE H H 1 8.178 0.020 A 104 PHE HA H 1 4.203 0.020 A 104 PHE HBy H 1 3.474 0.020 A 104 PHE HBx H 1 3.256 0.020 A 104 PHE HDx H 1 7.257 0.020 A 104 PHE HDy H 1 7.257 0.020 A 104 PHE HEx H 1 7.354 0.020 A 104 PHE HEy H 1 7.354 0.020 A 104 PHE HZ H 1 7.417 0.020 A 104 PHE C C 13 177.855 0.300 A 104 PHE CA C 13 61.338 0.300 A 104 PHE CB C 13 39.199 0.300 A 104 PHE CDx C 13 132.385 0.300 A 104 PHE CDy C 13 132.385 0.300 A 104 PHE CEx C 13 131.272 0.300 A 104 PHE CEy C 13 131.272 0.300 A 104 PHE CZ C 13 129.881 0.300 A 104 PHE N N 15 121.862 0.300 A 105 ILE H H 1 8.084 0.020 A 105 ILE HA H 1 3.049 0.020 A 105 ILE HB H 1 2.050 0.020 A 105 ILE HD1% H 1 0.220 0.020 A 105 ILE HG12 H 1 1.727 0.020 A 105 ILE HG13 H 1 1.727 0.020 A 105 ILE HG2% H 1 0.756 0.020 A 105 ILE C C 13 177.272 0.300 A 105 ILE CA C 13 65.557 0.300 A 105 ILE CB C 13 37.947 0.300 A 105 ILE CD1 C 13 13.226 0.300 A 105 ILE CG1 C 13 29.359 0.300 A 105 ILE CG2 C 13 16.988 0.300 A 105 ILE N N 15 120.351 0.300 A 106 LYS H H 1 8.928 0.020 A 106 LYS HA H 1 3.891 0.020 A 106 LYS HBy H 1 1.975 0.020 A 106 LYS HBx H 1 1.867 0.020 A 106 LYS HD2 H 1 1.673 0.020 A 106 LYS HD3 H 1 1.673 0.020 A 106 LYS HE2 H 1 2.828 0.020 A 106 LYS HE3 H 1 2.828 0.020 A 106 LYS HG2 H 1 1.477 0.020 A 106 LYS HG3 H 1 1.477 0.020 A 106 LYS C C 13 179.863 0.300 A 106 LYS CA C 13 60.218 0.300 A 106 LYS CB C 13 31.951 0.300 A 106 LYS CD C 13 29.186 0.300 A 106 LYS CE C 13 42.074 0.300 A 106 LYS CG C 13 26.587 0.300 A 106 LYS N N 15 117.443 0.300 A 107 ASN H H 1 8.303 0.020 A 107 ASN HA H 1 4.476 0.020 A 107 ASN HBy H 1 2.864 0.020 A 107 ASN HBx H 1 2.708 0.020 A 107 ASN C C 13 177.769 0.300 A 107 ASN CA C 13 56.067 0.300 A 107 ASN CB C 13 37.947 0.300 A 107 ASN N N 15 119.372 0.300 A 108 ARG H H 1 7.851 0.020 A 108 ARG HA H 1 3.883 0.020 A 108 ARG HBy H 1 1.709 0.020 A 108 ARG HBx H 1 1.667 0.020 A 108 ARG HD2 H 1 2.872 0.020 A 108 ARG HD3 H 1 2.872 0.020 A 108 ARG HGy H 1 1.301 0.020 A 108 ARG HGx H 1 1.188 0.020 A 108 ARG C C 13 178.567 0.300 A 108 ARG CA C 13 58.439 0.300 A 108 ARG CB C 13 29.381 0.300 A 108 ARG CD C 13 42.698 0.300 A 108 ARG CG C 13 26.934 0.300 A 108 ARG N N 15 121.312 0.300 A 109 LEU H H 1 7.625 0.020 A 109 LEU HA H 1 3.893 0.020 A 109 LEU HBy H 1 1.812 0.020 A 109 LEU HBx H 1 1.600 0.020 A 109 LEU HDx% H 1 0.885 0.020 A 109 LEU HDy% H 1 0.785 0.020 A 109 LEU HG H 1 1.570 0.020 A 109 LEU C C 13 178.870 0.300 A 109 LEU CA C 13 57.385 0.300 A 109 LEU CB C 13 41.439 0.300 A 109 LEU CD1 C 13 23.123 0.300 A 109 LEU CD2 C 13 23.123 0.300 A 109 LEU CG C 13 26.241 0.300 A 109 LEU N N 15 117.390 0.300 A 110 LYS H H 1 7.481 0.020 A 110 LYS HA H 1 4.097 0.020 A 110 LYS HB2 H 1 1.926 0.020 A 110 LYS HB3 H 1 1.926 0.020 A 110 LYS HD2 H 1 1.725 0.020 A 110 LYS HD3 H 1 1.725 0.020 A 110 LYS HE2 H 1 3.019 0.020 A 110 LYS HE3 H 1 3.019 0.020 A 110 LYS HGy H 1 1.591 0.020 A 110 LYS HGx H 1 1.458 0.020 A 110 LYS C C 13 178.913 0.300 A 110 LYS CA C 13 58.505 0.300 A 110 LYS CB C 13 32.412 0.300 A 110 LYS CD C 13 29.012 0.300 A 110 LYS CE C 13 41.831 0.300 A 110 LYS CG C 13 24.855 0.300 A 110 LYS N N 15 118.093 0.300 A 111 GLU H H 1 7.855 0.020 A 111 GLU HA H 1 4.073 0.020 A 111 GLU HB2 H 1 2.051 0.020 A 111 GLU HB3 H 1 2.051 0.020 A 111 GLU HGy H 1 2.345 0.020 A 111 GLU HGx H 1 2.211 0.020 A 111 GLU C C 13 177.510 0.300 A 111 GLU CA C 13 57.846 0.300 A 111 GLU CB C 13 29.842 0.300 A 111 GLU CG C 13 36.115 0.300 A 111 GLU N N 15 118.819 0.300 A 112 LEU H H 1 7.614 0.020 A 112 LEU HA H 1 4.240 0.020 A 112 LEU HBy H 1 1.716 0.020 A 112 LEU HBx H 1 1.510 0.020 A 112 LEU HDx% H 1 0.797 0.020 A 112 LEU HDy% H 1 0.811 0.020 A 112 LEU HG H 1 1.534 0.020 A 112 LEU C C 13 176.733 0.300 A 112 LEU CA C 13 55.210 0.300 A 112 LEU CB C 13 42.362 0.300 A 112 LEU CD1 C 13 25.565 0.300 A 112 LEU CD2 C 13 22.603 0.300 A 112 LEU CG C 13 27.002 0.300 A 112 LEU N N 15 118.312 0.300 A 113 ASN HA H 1 4.618 0.020 A 113 ASN HBy H 1 2.987 0.020 A 113 ASN HBx H 1 2.717 0.020 A 113 ASN C C 13 173.883 0.300 A 113 ASN CA C 13 53.563 0.300 A 113 ASN CB C 13 38.145 0.300 A 114 LEU H H 1 7.637 0.020 A 114 LEU HA H 1 4.162 0.020 A 114 LEU HB2 H 1 1.548 0.020 A 114 LEU HB3 H 1 1.548 0.020 A 114 LEU HDx% H 1 0.838 0.020 A 114 LEU HDy% H 1 0.839 0.020 A 114 LEU HG H 1 1.548 0.020 A 114 LEU C C 13 182.259 0.300 A 114 LEU CA C 13 56.199 0.300 A 114 LEU CB C 13 43.877 0.300 A 114 LEU CD1 C 13 25.893 0.300 A 114 LEU CD2 C 13 22.805 0.300 A 114 LEU CG C 13 26.736 0.300 A 114 LEU N N 15 126.260 0.300 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 41 LEU H A 41 LEU HG 1.0 . 4.62 2 2 A 80 TRP HBx A 88 ILE HG2% 1.0 . 4.72 3 3 A 88 ILE HG2% A 88 ILE HG1x 1.0 . 3.77 4 4 A 88 ILE HG2% A 88 ILE HA 1.0 . 3.27 5 5 A 88 ILE HG2% A 88 ILE HG1y 1.0 . 3.77 6 6 A 38 VAL HA A 39 ARG H 1.0 . 3.14 7 7 A 38 VAL HA A 38 VAL HGy% 1.0 . 3.57 8 8 A 38 VAL HA A 75 ASP HA 1.0 . 4.52 9 9 A 80 TRP HA A 81 VAL HB 1.0 . 5.04 10 10 A 80 TRP HA A 99 ALA HA 1.0 . 3.32 11 11 A 80 TRP HA A 99 ALA HB% 1.0 . 4.20 12 12 A 80 TRP HA A 100 TRP H 1.0 . 4.37 13 13 A 53 MET HE% A 105 ILE HD1% 1.0 . 4.95 14 14 A 105 ILE HD1% A 74 THR HG2% 1.0 . 5.09 15 15 A 105 ILE HD1% A 102 TRP H 1.0 . 4.23 16 16 A 105 ILE HD1% A 102 TRP HA 1.0 . 3.86 17 17 A 105 ILE HD1% A 105 ILE HB 1.0 . 3.87 18 18 A 105 ILE HD1% A 102 TRP HBy 1.0 . 4.54 19 19 A 48 LEU HA A 48 LEU HDx% 1.0 . 3.59 20 20 A 66 ARG HDx A 67 THR HA 1.0 . 5.47 21 21 A 88 ILE HB A 88 ILE HD1% 1.0 . 3.58 22 22 A 99 ALA HB% A 88 ILE HD1% 1.0 . 5.18 23 23 A 41 LEU HA A 41 LEU HDy% 1.0 . 5.25 24 24 A 41 LEU HG A 41 LEU HA 1.0 . 3.98 25 25 A 41 LEU HA A 46 LEU H 1.0 . 5.50 26 26 A 107 ASN HA A 106 LYS HA 1.0 . 5.00 27 27 A 37 LYS HA A 38 VAL H 1.0 . 3.12 28 28 A 37 LYS HA A 38 VAL HA 1.0 . 4.82 29 29 A 107 ASN HA A 106 LYS H 1.0 . 5.38 30 30 A 50 LYS HBy A 55 ILE HB 1.0 . 5.06 31 31 A 99 ALA HB% A 78 TRP HZ3 1.0 . 4.54 32 32 A 80 TRP HBx A 99 ALA HB% 1.0 . 3.81 33 33 A 99 ALA HB% A 80 TRP HBy 1.0 . 3.69 34 34 A 99 ALA HB% A 80 TRP HE3 1.0 . 4.46 35 35 A 88 ILE HA A 99 ALA HB% 1.0 . 4.90 36 36 A 68 ASN HA A 69 ASN HBy 1.0 . 4.15 37 37 A 69 ASN HBy A 70 PHE H 1.0 . 4.72 38 38 A 45 GLU HA A 48 LEU HDy% 1.0 . 4.65 39 39 A 91 GLN HA A 92 LEU H 1.0 . 3.31 40 40 A 80 TRP HBx A 81 VAL H 1.0 . 4.30 41 41 A 55 ILE HA A 55 ILE HG2% 1.0 . 3.63 42 42 A 55 ILE HG2% A 55 ILE HD1% 1.0 . 3.17 43 43 A 109 LEU HA A 52 ALA HA 1.0 . 4.26 44 44 A 52 ALA HA A 51 ARG HBx 1.0 . 4.38 45 45 A 52 ALA HA A 112 LEU HDy% 1.0 . 4.64 46 46 A 48 LEU HDy% A 48 LEU HBx 1.0 . 3.59 47 47 A 48 LEU HA A 48 LEU HDy% 1.0 . 4.12 48 48 A 48 LEU HDy% A 48 LEU HBy 1.0 . 3.59 49 49 A 48 LEU HDy% A 45 GLU H 1.0 . 5.36 50 50 A 48 LEU HDy% A 47 GLU H 1.0 . 5.50 51 51 A 73 LEU HBy A 73 LEU HDx% 1.0 . 3.69 52 52 A 73 LEU HDx% A 80 TRP HE1 1.0 . 3.58 53 53 A 47 GLU HA A 50 LYS HBx 1.0 . 4.51 54 54 A 91 GLN HA A 92 LEU HA 1.0 . 4.54 55 55 A 44 GLN HA A 42 THR HB 1.0 . 5.25 56 56 A 112 LEU HDy% A 112 LEU HA 1.0 . 4.16 57 57 A 109 LEU HA A 112 LEU HDy% 1.0 . 4.29 58 58 A 114 LEU HA A 114 LEU HDy% 1.0 . 4.06 59 59 A 112 LEU HDy% A 112 LEU HBy 1.0 . 4.10 60 60 A 110 LYS HA A 110 LYS HGy 1.0 . 4.19 61 61 A 104 PHE HA A 107 ASN HBx 1.0 . 4.51 62 62 A 41 LEU HDy% A 73 LEU H 1.0 . 4.94 63 63 A 41 LEU HDy% A 41 LEU HBy 1.0 . 4.14 64 64 A 41 LEU HDy% A 73 LEU HA 1.0 . 4.23 65 65 A 41 LEU HA A 41 LEU HDx% 1.0 . 5.25 66 66 A 73 LEU HA A 41 LEU HDx% 1.0 . 4.23 67 67 A 41 LEU HBy A 41 LEU HDx% 1.0 . 4.14 68 68 A 41 LEU HDx% A 41 LEU HBx 1.0 . 4.14 69 69 A 64 ALA HA A 69 ASN HA 1.0 . 3.92 70 70 A 61 TRP HA A 64 ALA HB% 1.0 . 3.35 71 71 A 55 ILE HG2% A 60 TYR HA 1.0 . 3.55 72 72 A 38 VAL H A 38 VAL HB 1.0 . 3.83 73 73 A 67 THR HB A 70 PHE HA 1.0 . 3.88 74 74 A 67 THR HB A 72 LEU HG 1.0 . 4.34 75 75 A 108 ARG H A 108 ARG HBy 1.0 . 3.75 76 76 A 92 LEU H A 92 LEU HDx% 1.0 . 4.44 77 77 A 38 VAL HB A 73 LEU HDy% 1.0 . 4.25 78 78 A 38 VAL HGy% A 73 LEU HDy% 1.0 . 4.05 79 79 A 48 LEU HDx% A 48 LEU HBy 1.0 . 3.79 80 80 A 106 LYS HA A 109 LEU HDx% 1.0 . 4.94 81 81 A 46 LEU HDy% A 70 PHE HBx 1.0 . 5.02 82 82 A 46 LEU HDy% A 70 PHE HBy 1.0 . 4.84 83 83 A 109 LEU HA A 52 ALA HB% 1.0 . 4.63 84 84 A 114 LEU HA A 114 LEU HDx% 1.0 . 4.06 85 85 A 48 LEU HA A 51 ARG HBx 1.0 . 3.72 86 86 A 80 TRP HBx A 99 ALA HA 1.0 . 4.67 87 87 A 99 ALA HA A 80 TRP HBy 1.0 . 4.59 88 88 A 99 ALA HA A 100 TRP HE3 1.0 . 4.50 89 89 A 99 ALA HA A 100 TRP H 1.0 . 3.49 90 90 A 55 ILE HA A 56 THR HG2% 1.0 . 4.44 91 91 A 62 GLN HA A 61 TRP HA 1.0 . 4.94 92 92 A 112 LEU HBx A 112 LEU HDx% 1.0 . 4.10 93 93 A 112 LEU HDy% A 112 LEU HBx 1.0 . 4.10 94 94 A 106 LYS HA A 109 LEU HDy% 1.0 . 4.94 95 95 A 106 LYS HA A 109 LEU HG 1.0 . 3.81 96 96 A 105 ILE HD1% A 52 ALA HB% 1.0 . 4.82 97 97 A 51 ARG HBx A 52 ALA HB% 1.0 . 4.35 98 98 A 108 ARG HBy A 52 ALA HB% 1.0 . 4.22 99 99 A 52 ALA HB% A 108 ARG HBx 1.0 . 4.22 100 100 A 106 LYS HA A 52 ALA HB% 1.0 . 4.74 101 101 A 109 LEU HDx% A 52 ALA HB% 1.0 . 3.68 102 102 A 52 ALA HB% A 109 LEU HDy% 1.0 . 3.68 103 103 A 74 THR HB A 75 ASP H 1.0 . 4.64 104 104 A 74 THR HB A 79 VAL HGx% 1.0 . 4.37 105 105 A 74 THR HB A 79 VAL HA 1.0 . 3.92 106 106 A 74 THR HB A 79 VAL HGy% 1.0 . 4.37 107 107 A 73 LEU H A 72 LEU HA 1.0 . 3.35 108 108 A 72 LEU HG A 72 LEU HA 1.0 . 4.00 109 109 A 67 THR HA A 66 ARG HA 1.0 . 4.87 110 110 A 110 LYS HA A 110 LYS HGx 1.0 . 4.19 111 111 A 73 LEU H A 72 LEU HBx 1.0 . 4.66 112 112 A 55 ILE HB A 50 LYS HBx 1.0 . 4.19 113 113 A 78 TRP HA A 79 VAL H 1.0 . 3.35 114 114 A 67 THR HG2% A 72 LEU HDx% 1.0 . 4.21 115 115 A 77 GLU HA A 102 TRP HD1 1.0 . 5.14 116 116 A 102 TRP HBy A 77 GLU HA 1.0 . 5.43 117 117 A 38 VAL HGy% A 73 LEU HBx 1.0 . 4.27 118 118 A 73 LEU HDx% A 73 LEU HBx 1.0 . 4.15 119 119 A 80 TRP HE1 A 82 GLU HA 1.0 . 4.62 120 120 A 92 LEU HA A 92 LEU HG 1.0 . 3.75 121 121 A 112 LEU HA A 112 LEU HDx% 1.0 . 4.16 122 122 A 110 LYS HGx A 110 LYS H 1.0 . 4.30 123 123 A 70 PHE HA A 72 LEU HG 1.0 . 4.39 124 124 A 100 TRP HA A 101 SER H 1.0 . 3.40 125 125 A 41 LEU HA A 42 THR HA 1.0 . 4.50 126 126 A 67 THR HA A 66 ARG H 1.0 . 5.11 127 127 A 97 ALA HA A 99 ALA H 1.0 . 4.57 128 128 A 67 THR HA A 66 ARG HDy 1.0 . 5.47 129 129 A 64 ALA HB% A 61 TRP HBy 1.0 . 5.12 130 130 A 64 ALA HB% A 65 SER HA 1.0 . 4.42 131 131 A 64 ALA HB% A 61 TRP HBx 1.0 . 5.12 132 132 A 69 ASN HA A 64 ALA HB% 1.0 . 3.89 133 133 A 37 LYS HA A 38 VAL HGy% 1.0 . 4.18 134 134 A 72 LEU HA A 81 VAL HA 1.0 . 3.99 135 135 A 104 PHE HA A 107 ASN HBy 1.0 . 4.51 136 136 A 79 VAL HA A 78 TRP HA 1.0 . 4.70 137 137 A 79 VAL HGx% A 79 VAL HA 1.0 . 3.62 138 138 A 50 LYS HBy A 55 ILE HD1% 1.0 . 4.33 139 139 A 55 ILE HD1% A 63 TRP HZ2 1.0 . 4.85 140 140 A 55 ILE HB A 55 ILE HD1% 1.0 . 3.58 141 141 A 55 ILE HD1% A 50 LYS HBx 1.0 . 4.74 142 142 A 55 ILE HD1% A 70 PHE HZ 1.0 . 4.23 143 143 A 55 ILE HD1% A 50 LYS HA 1.0 . 3.60 144 144 A 109 LEU HA A 112 LEU HG 1.0 . 5.19 145 145 A 73 LEU HDx% A 82 GLU HA 1.0 . 3.89 146 146 A 102 TRP HA A 102 TRP HE3 1.0 . 3.80 147 147 A 102 TRP HA A 105 ILE HB 1.0 . 3.89 148 148 A 102 TRP HA A 105 ILE H 1.0 . 4.27 149 149 A 70 PHE HBx A 46 LEU HDx% 1.0 . 5.02 150 150 A 48 LEU HDy% A 46 LEU HA 1.0 . 5.31 151 151 A 88 ILE HD1% A 85 GLU HA 1.0 . 3.56 152 152 A 105 ILE HB A 102 TRP HE3 1.0 . 4.56 153 153 A 112 LEU H A 112 LEU HDx% 1.0 . 4.83 154 154 A 56 THR HG2% A 56 THR HA 1.0 . 3.45 155 155 A 53 MET HA A 50 LYS HA 1.0 . 5.50 156 156 A 55 ILE HB A 50 LYS HA 1.0 . 3.81 157 157 A 81 VAL HGx% A 82 GLU H 1.0 . 3.72 158 158 A 56 THR HG2% A 56 THR H 1.0 . 4.02 159 159 A 67 THR HA A 81 VAL HGx% 1.0 . 3.53 160 160 A 81 VAL HA A 81 VAL HGx% 1.0 . 3.57 161 161 A 41 LEU HDy% A 41 LEU HBx 1.0 . 4.14 162 162 A 37 LYS HA A 38 VAL HGx% 1.0 . 3.90 163 163 A 38 VAL HA A 38 VAL HGx% 1.0 . 3.38 164 164 A 38 VAL HGx% A 75 ASP HBx 1.0 . 4.20 165 165 A 38 VAL HGx% A 75 ASP HBy 1.0 . 4.20 166 166 A 38 VAL HGx% A 80 TRP HZ2 1.0 . 3.43 167 167 A 73 LEU HDx% A 38 VAL HGx% 1.0 . 3.92 168 168 A 75 ASP HA A 38 VAL HGx% 1.0 . 4.92 169 169 A 38 VAL HGx% A 80 TRP HH2 1.0 . 3.60 170 170 A 41 LEU HA A 40 GLU HBy 1.0 . 4.87 171 171 A 41 LEU HA A 45 GLU HBx 1.0 . 4.99 172 172 A 105 ILE HD1% A 105 ILE HA 1.0 . 4.49 173 173 A 52 ALA HB% A 105 ILE HA 1.0 . 3.85 174 174 A 52 ALA HB% A 49 PHE HA 1.0 . 3.95 175 175 A 81 VAL HA A 81 VAL HGy% 1.0 . 3.60 176 176 A 81 VAL HGy% A 100 TRP HZ3 1.0 . 4.62 177 177 A 81 VAL HGy% A 100 TRP HH2 1.0 . 3.91 178 178 A 46 LEU H A 43 PRO HA 1.0 . 4.22 179 179 A 43 PRO HA A 46 LEU HBy 1.0 . 4.53 180 180 A 43 PRO HA A 46 LEU HBx 1.0 . 4.53 181 181 A 79 VAL HA A 79 VAL HGy% 1.0 . 3.62 182 182 A 52 ALA HA A 112 LEU HDx% 1.0 . 4.64 183 183 A 109 LEU HA A 112 LEU HDx% 1.0 . 4.29 184 184 A 112 LEU HBy A 112 LEU HDx% 1.0 . 4.10 185 185 A 75 ASP H A 74 THR HA 1.0 . 3.39 186 186 A 74 THR HA A 80 TRP HZ3 1.0 . 4.56 187 187 A 73 LEU HBx A 74 THR HA 1.0 . 5.50 188 188 A 79 VAL HGx% A 74 THR HA 1.0 . 5.50 189 189 A 79 VAL HGy% A 74 THR HA 1.0 . 5.50 190 190 A 73 LEU HA A 74 THR H 1.0 . 3.44 191 191 A 71 LYS HA A 72 LEU H 1.0 . 3.16 192 192 A 42 THR HA A 42 THR HG2% 1.0 . 3.89 193 193 A 67 THR HA A 81 VAL HGy% 1.0 . 3.47 194 194 A 39 ARG HA A 40 GLU H 1.0 . 3.22 195 195 A 80 TRP HBy A 81 VAL H 1.0 . 4.03 196 196 A 105 ILE HD1% A 105 ILE HG2% 1.0 . 3.12 197 197 A 105 ILE HG2% A 102 TRP HZ3 1.0 . 3.38 198 198 A 108 ARG H A 105 ILE HG2% 1.0 . 5.12 199 199 A 106 LYS HA A 105 ILE HG2% 1.0 . 4.04 200 200 A 52 ALA HB% A 105 ILE HG2% 1.0 . 2.93 201 201 A 102 TRP HE3 A 105 ILE HG2% 1.0 . 3.73 202 202 A 102 TRP HA A 105 ILE HG2% 1.0 . 4.11 203 203 A 105 ILE HA A 105 ILE HG2% 1.0 . 3.49 204 204 A 49 PHE HA A 105 ILE HG2% 1.0 . 3.91 205 205 A 78 TRP HA A 101 SER HA 1.0 . 3.31 206 206 A 72 LEU H A 72 LEU HDy% 1.0 . 4.43 207 207 A 67 THR HG2% A 72 LEU HDy% 1.0 . 4.21 208 208 A 48 LEU HDx% A 48 LEU HBx 1.0 . 3.79 209 209 A 70 PHE HBy A 46 LEU HDx% 1.0 . 4.84 210 210 A 70 PHE HBy A 69 ASN HBx 1.0 . 5.16 211 211 A 53 MET HE% A 100 TRP HE1 1.0 . 3.57 212 212 A 53 MET HE% A 100 TRP HZ2 1.0 . 4.35 213 213 A 53 MET HE% A 100 TRP HE3 1.0 . 4.62 214 214 A 53 MET HE% A 63 TRP HZ3 1.0 . 4.37 215 215 A 53 MET HE% A 100 TRP HD1 1.0 . 3.44 216 216 A 53 MET HE% A 49 PHE HZ 1.0 . 3.83 217 217 A 53 MET HE% A 53 MET HA 1.0 . 4.12 218 218 A 53 MET HE% A 49 PHE HA 1.0 . 4.94 219 219 A 53 MET HE% A 105 ILE HA 1.0 . 4.67 220 220 A 105 ILE HG2% A 102 TRP HH2 1.0 . 4.14 221 221 A 102 TRP HBy A 102 TRP HD1 1.0 . 3.68 222 222 A 102 TRP HD1 A 77 GLU H 1.0 . 4.08 223 223 A 53 MET HE% A 104 PHE HZ 1.0 . 4.50 224 224 A 61 TRP HA A 61 TRP HE3 1.0 . 4.44 225 225 A 82 GLU HA A 80 TRP HD1 1.0 . 3.89 226 226 A 80 TRP HD1 A 85 GLU H 1.0 . 5.46 227 227 A 80 TRP HD1 A 80 TRP H 1.0 . 5.43 228 228 A 81 VAL H A 80 TRP HD1 1.0 . 4.38 229 229 A 61 TRP H A 61 TRP HD1 1.0 . 3.83 230 230 A 100 TRP HH2 A 49 PHE HZ 1.0 . 4.27 231 231 A 80 TRP HBx A 80 TRP HZ3 1.0 . 5.09 232 232 A 100 TRP HE3 A 79 VAL HB 1.0 . 4.41 233 233 A 73 LEU HBy A 80 TRP HZ2 1.0 . 4.32 234 234 A 73 LEU HDx% A 80 TRP HZ2 1.0 . 4.10 235 235 A 73 LEU HBx A 80 TRP HZ2 1.0 . 5.50 236 236 A 73 LEU HDy% A 80 TRP HZ2 1.0 . 5.50 237 237 A 38 VAL HGy% A 80 TRP HZ2 1.0 . 4.17 238 238 A 55 ILE HG2% A 70 PHE HZ 1.0 . 4.10 239 239 A 87 HIS H A 87 HIS HD2 1.0 . 3.69 240 240 A 87 HIS HA A 87 HIS HD2 1.0 . 3.71 241 241 A 74 THR HG2% A 102 TRP HZ2 1.0 . 4.43 242 242 A 55 ILE HG2% A 63 TRP HD1 1.0 . 4.19 243 243 A 55 ILE HA A 63 TRP HD1 1.0 . 5.19 244 244 A 63 TRP HD1 A 63 TRP H 1.0 . 4.05 245 245 A 58 HIS HA A 58 HIS HD2 1.0 . 4.28 246 246 A 100 TRP HD1 A 104 PHE HZ 1.0 . 5.02 247 247 A 100 TRP HA A 100 TRP HD1 1.0 . 3.92 248 248 A 100 TRP HD1 A 97 ALA HB% 1.0 . 5.47 249 249 A 99 ALA HB% A 78 TRP HE3 1.0 . 3.69 250 250 A 49 PHE HZ A 63 TRP HH2 1.0 . 4.62 251 251 A 67 THR HG2% A 63 TRP HH2 1.0 . 4.93 252 252 A 100 TRP HZ2 A 63 TRP HH2 1.0 . 3.98 253 253 A 78 TRP HD1 A 77 GLU HBy 1.0 . 3.70 254 254 A 78 TRP HD1 A 78 TRP H 1.0 . 4.00 255 255 A 78 TRP HD1 A 77 GLU HBx 1.0 . 3.70 256 256 A 67 THR HG2% A 63 TRP HE3 1.0 . 3.38 257 257 A 55 ILE HD1% A 63 TRP HE3 1.0 . 4.23 258 258 A 63 TRP HE3 A 63 TRP HA 1.0 . 3.80 259 259 A 66 ARG H A 66 ARG HBx 1.0 . 3.74 260 260 A 66 ARG H A 65 SER H 1.0 . 3.94 261 261 A 64 ALA HB% A 66 ARG H 1.0 . 5.21 262 262 A 66 ARG H A 66 ARG HBy 1.0 . 3.74 263 263 A 66 ARG H A 67 THR H 1.0 . 3.75 264 264 A 67 THR HG2% A 71 LYS H 1.0 . 5.20 265 265 A 69 ASN HBx A 71 LYS H 1.0 . 4.67 266 266 A 72 LEU HG A 71 LYS H 1.0 . 4.13 267 267 A 71 LYS H A 71 LYS HBx 1.0 . 3.53 268 268 A 72 LEU H A 71 LYS H 1.0 . 4.23 269 269 A 71 LYS H A 71 LYS HBy 1.0 . 3.53 270 270 A 67 THR HB A 71 LYS H 1.0 . 4.30 271 271 A 83 GLY H A 80 TRP HD1 1.0 . 4.52 272 272 A 73 LEU HDx% A 83 GLY H 1.0 . 4.74 273 273 A 82 GLU HA A 83 GLY H 1.0 . 3.01 274 274 A 64 ALA HB% A 69 ASN H 1.0 . 4.19 275 275 A 82 GLU H A 83 GLY H 1.0 . 4.77 276 276 A 82 GLU H A 82 GLU HBx 1.0 . 3.32 277 277 A 73 LEU HDx% A 82 GLU H 1.0 . 5.24 278 278 A 82 GLU H A 82 GLU HBy 1.0 . 3.32 279 279 A 81 VAL HA A 82 GLU H 1.0 . 3.23 280 280 A 48 LEU HBx A 49 PHE H 1.0 . 4.26 281 281 A 48 LEU HBy A 49 PHE H 1.0 . 4.26 282 282 A 49 PHE H A 49 PHE HBy 1.0 . 3.62 283 283 A 49 PHE H A 49 PHE HBx 1.0 . 3.62 284 284 A 105 ILE HG2% A 49 PHE H 1.0 . 5.49 285 285 A 49 PHE H A 50 LYS H 1.0 . 3.41 286 286 A 46 LEU HA A 49 PHE H 1.0 . 4.49 287 287 A 48 LEU HDx% A 49 PHE H 1.0 . 4.41 288 288 A 47 GLU H A 49 PHE H 1.0 . 4.84 289 289 A 49 PHE H A 51 ARG H 1.0 . 5.05 290 290 A 99 ALA H A 98 ARG H 1.0 . 3.29 291 291 A 99 ALA HB% A 99 ALA H 1.0 . 3.32 292 292 A 99 ALA H A 97 ALA HB% 1.0 . 3.22 293 293 A 50 LYS HA A 53 MET H 1.0 . 4.57 294 294 A 53 MET H A 52 ALA H 1.0 . 3.47 295 295 A 105 ILE HG2% A 53 MET H 1.0 . 5.50 296 296 A 49 PHE HA A 53 MET H 1.0 . 4.73 297 297 A 53 MET H A 53 MET HBx 1.0 . 4.03 298 298 A 53 MET H A 53 MET HBy 1.0 . 4.03 299 299 A 51 ARG H A 53 MET H 1.0 . 5.00 300 300 A 53 MET H A 55 ILE H 1.0 . 5.28 301 301 A 52 ALA HB% A 53 MET H 1.0 . 3.49 302 302 A 51 ARG HBy A 51 ARG H 1.0 . 3.16 303 303 A 51 ARG H A 52 ALA H 1.0 . 3.29 304 304 A 51 ARG HBx A 51 ARG H 1.0 . 3.06 305 305 A 50 LYS H A 51 ARG H 1.0 . 3.38 306 306 A 48 LEU HDx% A 51 ARG H 1.0 . 5.50 307 307 A 106 LYS HA A 109 LEU H 1.0 . 3.76 308 308 A 109 LEU HG A 109 LEU H 1.0 . 4.50 309 309 A 108 ARG HBy A 109 LEU H 1.0 . 4.20 310 310 A 108 ARG HBx A 109 LEU H 1.0 . 4.20 311 311 A 108 ARG H A 109 LEU H 1.0 . 3.33 312 312 A 52 ALA HB% A 109 LEU H 1.0 . 4.02 313 313 A 110 LYS H A 109 LEU H 1.0 . 3.54 314 314 A 81 VAL H A 81 VAL HGy% 1.0 . 3.11 315 315 A 80 TRP HA A 81 VAL H 1.0 . 3.29 316 316 A 99 ALA HB% A 81 VAL H 1.0 . 4.39 317 317 A 81 VAL HB A 81 VAL H 1.0 . 3.41 318 318 A 45 GLU H A 45 GLU HBx 1.0 . 3.88 319 319 A 45 GLU H A 44 GLN H 1.0 . 4.23 320 320 A 46 LEU H A 45 GLU H 1.0 . 3.29 321 321 A 60 TYR H A 60 TYR HBy 1.0 . 3.64 322 322 A 60 TYR H A 59 ASN H 1.0 . 3.08 323 323 A 60 TYR H A 60 TYR HBx 1.0 . 3.64 324 324 A 61 TRP H A 60 TYR H 1.0 . 3.80 325 325 A 106 LYS H A 106 LYS HBx 1.0 . 3.72 326 326 A 106 LYS H A 102 TRP HE3 1.0 . 4.67 327 327 A 106 LYS H A 103 GLU HA 1.0 . 4.29 328 328 A 105 ILE HB A 106 LYS H 1.0 . 3.59 329 329 A 106 LYS H A 105 ILE HG2% 1.0 . 3.86 330 330 A 106 LYS H A 106 LYS HBy 1.0 . 3.72 331 331 A 51 ARG HBy A 52 ALA H 1.0 . 3.98 332 332 A 51 ARG HBx A 52 ALA H 1.0 . 3.62 333 333 A 52 ALA HB% A 52 ALA H 1.0 . 3.01 334 334 A 70 PHE H A 71 LYS H 1.0 . 3.43 335 335 A 70 PHE H A 69 ASN H 1.0 . 3.52 336 336 A 70 PHE H A 69 ASN HA 1.0 . 3.50 337 337 A 70 PHE H A 64 ALA HA 1.0 . 3.79 338 338 A 70 PHE H A 67 THR HB 1.0 . 4.15 339 339 A 40 GLU H A 39 ARG HBy 1.0 . 3.89 340 340 A 40 GLU H A 39 ARG HBx 1.0 . 3.89 341 341 A 40 GLU H A 40 GLU HBx 1.0 . 3.78 342 342 A 40 GLU HBy A 40 GLU H 1.0 . 4.02 343 343 A 39 ARG H A 40 GLU H 1.0 . 4.56 344 344 A 112 LEU H A 112 LEU HG 1.0 . 4.39 345 345 A 112 LEU H A 111 GLU H 1.0 . 3.60 346 346 A 112 LEU H A 112 LEU HDy% 1.0 . 4.83 347 347 A 112 LEU H A 110 LYS HA 1.0 . 4.59 348 348 A 109 LEU HA A 112 LEU H 1.0 . 4.66 349 349 A 84 TYR H A 84 TYR HBx 1.0 . 4.14 350 350 A 80 TRP HD1 A 84 TYR H 1.0 . 4.19 351 351 A 84 TYR H A 84 TYR HBy 1.0 . 4.14 352 352 A 82 GLU HA A 84 TYR H 1.0 . 4.16 353 353 A 83 GLY H A 84 TYR H 1.0 . 3.47 354 354 A 102 TRP H A 78 TRP HA 1.0 . 3.91 355 355 A 102 TRP H A 77 GLU HA 1.0 . 5.50 356 356 A 102 TRP H A 102 TRP HD1 1.0 . 4.31 357 357 A 102 TRP H A 102 TRP HBy 1.0 . 3.38 358 358 A 102 TRP H A 101 SER HA 1.0 . 3.12 359 359 A 102 TRP H A 101 SER HBx 1.0 . 4.18 360 360 A 102 TRP H A 101 SER HBy 1.0 . 4.18 361 361 A 102 TRP H A 102 TRP HBx 1.0 . 3.88 362 362 A 102 TRP H A 103 GLU H 1.0 . 3.86 363 363 A 77 GLU H A 77 GLU HBx 1.0 . 4.11 364 364 A 75 ASP H A 77 GLU H 1.0 . 4.05 365 365 A 77 GLU H A 76 GLY H 1.0 . 3.79 366 366 A 77 GLU H A 77 GLU HBy 1.0 . 4.11 367 367 A 63 TRP H A 62 GLN H 1.0 . 3.85 368 368 A 50 LYS HBy A 55 ILE H 1.0 . 4.08 369 369 A 63 TRP H A 64 ALA H 1.0 . 3.50 370 370 A 88 ILE HB A 88 ILE H 1.0 . 3.16 371 371 A 88 ILE H A 86 GLU HA 1.0 . 4.22 372 372 A 85 GLU HA A 88 ILE H 1.0 . 4.31 373 373 A 87 HIS H A 88 ILE H 1.0 . 3.25 374 374 A 88 ILE HD1% A 88 ILE H 1.0 . 3.95 375 375 A 87 HIS HD2 A 88 ILE H 1.0 . 4.93 376 376 A 96 GLN HBx A 97 ALA H 1.0 . 4.67 377 377 A 97 ALA H A 96 GLN HBy 1.0 . 4.67 378 378 A 97 ALA HB% A 97 ALA H 1.0 . 3.01 379 379 A 103 GLU HBy A 104 PHE H 1.0 . 4.50 380 380 A 104 PHE H A 103 GLU HBx 1.0 . 4.50 381 381 A 104 PHE H A 104 PHE HBx 1.0 . 3.87 382 382 A 104 PHE H A 104 PHE HBy 1.0 . 3.87 383 383 A 103 GLU H A 104 PHE H 1.0 . 3.91 384 384 A 54 GLY H A 55 ILE H 1.0 . 3.53 385 385 A 59 ASN H A 58 HIS HBx 1.0 . 4.65 386 386 A 56 THR H A 59 ASN H 1.0 . 4.23 387 387 A 59 ASN H A 58 HIS HBy 1.0 . 4.65 388 388 A 97 ALA HA A 98 ARG H 1.0 . 3.30 389 389 A 99 ALA HB% A 98 ARG H 1.0 . 4.44 390 390 A 97 ALA HB% A 98 ARG H 1.0 . 3.99 391 391 A 38 VAL HGy% A 38 VAL H 1.0 . 3.79 392 392 A 38 VAL H A 38 VAL HGx% 1.0 . 3.31 393 393 A 114 LEU HDx% A 114 LEU H 1.0 . 5.08 394 394 A 114 LEU HDy% A 114 LEU H 1.0 . 5.08 395 395 A 110 LYS H A 111 GLU H 1.0 . 3.68 396 396 A 111 GLU H A 111 GLU HGx 1.0 . 4.33 397 397 A 111 GLU H A 111 GLU HGy 1.0 . 4.33 398 398 A 109 LEU HA A 111 GLU H 1.0 . 4.13 399 399 A 78 TRP H A 77 GLU HBx 1.0 . 3.97 400 400 A 101 SER HA A 78 TRP H 1.0 . 4.96 401 401 A 77 GLU HBy A 78 TRP H 1.0 . 3.97 402 402 A 66 ARG HBy A 67 THR H 1.0 . 4.34 403 403 A 67 THR H A 69 ASN H 1.0 . 4.60 404 404 A 64 ALA HA A 67 THR H 1.0 . 4.25 405 405 A 66 ARG HBx A 67 THR H 1.0 . 4.34 406 406 A 81 VAL HGy% A 67 THR H 1.0 . 5.40 407 407 A 67 THR HG2% A 67 THR H 1.0 . 3.48 408 408 A 50 LYS HBx A 50 LYS H 1.0 . 3.49 409 409 A 48 LEU HDx% A 50 LYS H 1.0 . 5.50 410 410 A 50 LYS HBy A 50 LYS H 1.0 . 3.62 411 411 A 50 LYS H A 48 LEU H 1.0 . 4.85 412 412 A 55 ILE HG2% A 56 THR H 1.0 . 3.65 413 413 A 55 ILE HA A 56 THR H 1.0 . 3.05 414 414 A 69 ASN H A 68 ASN H 1.0 . 3.59 415 415 A 68 ASN H A 68 ASN HBx 1.0 . 4.09 416 416 A 67 THR H A 68 ASN H 1.0 . 3.35 417 417 A 68 ASN H A 68 ASN HBy 1.0 . 4.09 418 418 A 81 VAL HGx% A 68 ASN H 1.0 . 4.44 419 419 A 41 LEU HBy A 42 THR H 1.0 . 4.81 420 420 A 45 GLU H A 42 THR H 1.0 . 4.43 421 421 A 41 LEU HDx% A 42 THR H 1.0 . 5.50 422 422 A 41 LEU HDy% A 42 THR H 1.0 . 5.50 423 423 A 41 LEU HBx A 42 THR H 1.0 . 4.81 424 424 A 42 THR HG2% A 42 THR H 1.0 . 3.57 425 425 A 45 GLU HBy A 42 THR H 1.0 . 3.54 426 426 A 46 LEU H A 42 THR H 1.0 . 4.81 427 427 A 97 ALA HB% A 96 GLN H 1.0 . 4.15 428 428 A 97 ALA H A 96 GLN H 1.0 . 3.07 429 429 A 38 VAL HGx% A 74 THR H 1.0 . 4.12 430 430 A 74 THR HG2% A 74 THR H 1.0 . 4.32 431 431 A 73 LEU HDx% A 74 THR H 1.0 . 5.16 432 432 A 38 VAL HGy% A 74 THR H 1.0 . 4.45 433 433 A 73 LEU HBx A 74 THR H 1.0 . 3.58 434 434 A 39 ARG H A 74 THR H 1.0 . 3.49 435 435 A 74 THR HB A 74 THR H 1.0 . 4.20 436 436 A 73 LEU HBy A 74 THR H 1.0 . 4.38 437 437 A 75 ASP H A 38 VAL HGx% 1.0 . 4.64 438 438 A 74 THR HG2% A 75 ASP H 1.0 . 5.16 439 439 A 75 ASP H A 80 TRP HZ3 1.0 . 4.09 440 440 A 75 ASP H A 76 GLY H 1.0 . 4.28 441 441 A 64 ALA HB% A 64 ALA H 1.0 . 3.86 442 442 A 62 GLN HA A 64 ALA H 1.0 . 4.51 443 443 A 61 TRP HA A 64 ALA H 1.0 . 4.39 444 444 A 79 VAL H A 79 VAL HB 1.0 . 3.69 445 445 A 79 VAL HGx% A 79 VAL H 1.0 . 4.02 446 446 A 102 TRP H A 79 VAL H 1.0 . 4.39 447 447 A 100 TRP HE3 A 79 VAL H 1.0 . 5.14 448 448 A 79 VAL HGy% A 79 VAL H 1.0 . 4.02 449 449 A 79 VAL H A 101 SER HA 1.0 . 4.23 450 450 A 61 TRP H A 60 TYR HBy 1.0 . 4.29 451 451 A 61 TRP H A 60 TYR HBx 1.0 . 4.29 452 452 A 61 TRP H A 63 TRP H 1.0 . 4.57 453 453 A 61 TRP H A 62 GLN H 1.0 . 4.32 454 454 A 80 TRP HE1 A 38 VAL HGx% 1.0 . 5.09 455 455 A 80 TRP HE1 A 83 GLY H 1.0 . 4.79 456 456 A 74 THR HG2% A 102 TRP HE1 1.0 . 4.23 457 457 A 76 GLY H A 102 TRP HE1 1.0 . 5.01 458 458 A 65 SER H A 64 ALA H 1.0 . 3.91 459 459 A 64 ALA HB% A 65 SER H 1.0 . 3.78 460 460 A 39 ARG H A 73 LEU HDy% 1.0 . 5.23 461 461 A 39 ARG H A 39 ARG HGy 1.0 . 4.09 462 462 A 39 ARG H A 38 VAL HGy% 1.0 . 3.64 463 463 A 39 ARG H A 39 ARG HGx 1.0 . 4.09 464 464 A 39 ARG H A 38 VAL HB 1.0 . 4.06 465 465 A 39 ARG H A 38 VAL HGx% 1.0 . 4.06 466 466 A 39 ARG H A 73 LEU HBx 1.0 . 4.36 467 467 A 108 ARG H A 108 ARG HBx 1.0 . 3.75 468 468 A 108 ARG H A 105 ILE HA 1.0 . 4.26 469 469 A 108 ARG H A 52 ALA HB% 1.0 . 5.27 470 470 A 87 HIS H A 86 GLU H 1.0 . 3.56 471 471 A 85 GLU H A 86 GLU H 1.0 . 3.72 472 472 A 101 SER H A 104 PHE HBy 1.0 . 5.19 473 473 A 101 SER H A 100 TRP HBx 1.0 . 4.56 474 474 A 101 SER H A 100 TRP HBy 1.0 . 4.56 475 475 A 101 SER H A 104 PHE HBx 1.0 . 5.19 476 476 A 87 HIS H A 87 HIS HBx 1.0 . 3.71 477 477 A 87 HIS H A 87 HIS HBy 1.0 . 3.71 478 478 A 88 ILE HB A 87 HIS H 1.0 . 4.95 479 479 A 79 VAL HGx% A 80 TRP H 1.0 . 4.21 480 480 A 73 LEU H A 80 TRP H 1.0 . 4.28 481 481 A 79 VAL HA A 80 TRP H 1.0 . 3.12 482 482 A 80 TRP HE3 A 80 TRP H 1.0 . 4.23 483 483 A 79 VAL HGy% A 80 TRP H 1.0 . 4.21 484 484 A 103 GLU H A 103 GLU HGy 1.0 . 4.49 485 485 A 103 GLU H A 103 GLU HGx 1.0 . 4.49 486 486 A 102 TRP HBy A 103 GLU H 1.0 . 4.34 487 487 A 105 ILE H A 103 GLU H 1.0 . 4.48 488 488 A 47 GLU H A 46 LEU HBy 1.0 . 4.09 489 489 A 47 GLU H A 46 LEU HBx 1.0 . 4.09 490 490 A 47 GLU H A 46 LEU HDx% 1.0 . 5.50 491 491 A 47 GLU H A 46 LEU HDy% 1.0 . 5.50 492 492 A 47 GLU H A 46 LEU HG 1.0 . 5.47 493 493 A 47 GLU H A 44 GLN HA 1.0 . 4.29 494 494 A 47 GLU H A 48 LEU HG 1.0 . 5.25 495 495 A 74 THR HG2% A 76 GLY H 1.0 . 4.79 496 496 A 110 LYS HGy A 110 LYS H 1.0 . 4.30 497 497 A 109 LEU HDx% A 110 LYS H 1.0 . 4.95 498 498 A 109 LEU HDy% A 110 LYS H 1.0 . 4.95 499 499 A 48 LEU HBx A 48 LEU H 1.0 . 3.81 500 500 A 48 LEU HBy A 48 LEU H 1.0 . 3.81 501 501 A 48 LEU H A 48 LEU HG 1.0 . 3.45 502 502 A 49 PHE H A 48 LEU H 1.0 . 3.33 503 503 A 48 LEU HDy% A 48 LEU H 1.0 . 3.84 504 504 A 45 GLU HA A 48 LEU H 1.0 . 4.10 505 505 A 72 LEU HG A 72 LEU H 1.0 . 3.59 506 506 A 72 LEU HDx% A 72 LEU H 1.0 . 4.43 507 507 A 72 LEU H A 73 LEU HG 1.0 . 4.89 508 508 A 41 LEU HG A 72 LEU H 1.0 . 4.88 509 509 A 99 ALA H A 100 TRP HE1 1.0 . 5.13 510 510 A 63 TRP HZ2 A 100 TRP HE1 1.0 . 5.50 511 511 A 100 TRP HE1 A 63 TRP HZ3 1.0 . 5.50 512 512 A 88 ILE HA A 90 LYS H 1.0 . 4.48 513 513 A 106 LYS H A 105 ILE H 1.0 . 3.70 514 514 A 105 ILE H A 104 PHE HBx 1.0 . 4.49 515 515 A 105 ILE H A 104 PHE HBy 1.0 . 4.49 516 516 A 105 ILE HB A 105 ILE H 1.0 . 3.79 517 517 A 105 ILE HD1% A 105 ILE H 1.0 . 4.04 518 518 A 55 ILE H A 55 ILE HG1y 1.0 . 4.30 519 519 A 55 ILE H A 55 ILE HG1x 1.0 . 4.30 520 520 A 50 LYS HBx A 55 ILE H 1.0 . 5.36 521 521 A 55 ILE HB A 55 ILE H 1.0 . 3.34 522 522 A 56 THR H A 55 ILE H 1.0 . 4.87 523 523 A 55 ILE HD1% A 55 ILE H 1.0 . 3.99 524 524 A 50 LYS HA A 55 ILE H 1.0 . 4.25 525 525 A 55 ILE HG2% A 55 ILE H 1.0 . 4.05 526 526 A 46 LEU H A 46 LEU HBy 1.0 . 3.67 527 527 A 46 LEU H A 46 LEU HBx 1.0 . 3.67 528 528 A 46 LEU H A 48 LEU H 1.0 . 4.62 529 529 A 46 LEU H A 45 GLU HBy 1.0 . 3.97 530 530 A 46 LEU H A 47 GLU H 1.0 . 3.27 531 531 A 92 LEU H A 92 LEU HDy% 1.0 . 4.44 532 532 A 92 LEU H A 92 LEU HG 1.0 . 4.18 533 533 A 103 GLU HA A 107 ASN H 1.0 . 4.93 534 534 A 107 ASN HBy A 107 ASN H 1.0 . 3.66 535 535 A 106 LYS HBx A 107 ASN H 1.0 . 3.84 536 536 A 109 LEU H A 107 ASN H 1.0 . 4.30 537 537 A 106 LYS HBy A 107 ASN H 1.0 . 3.84 538 538 A 106 LYS H A 107 ASN H 1.0 . 3.35 539 539 A 104 PHE HA A 107 ASN H 1.0 . 4.55 540 540 A 105 ILE HA A 107 ASN H 1.0 . 4.70 541 541 A 108 ARG H A 107 ASN H 1.0 . 3.16 542 542 A 107 ASN HBx A 107 ASN H 1.0 . 3.66 543 543 A 100 TRP H A 79 VAL HB 1.0 . 4.61 544 544 A 100 TRP H A 100 TRP HE3 1.0 . 3.59 545 545 A 99 ALA HB% A 100 TRP H 1.0 . 3.94 546 546 A 41 LEU H A 40 GLU HBy 1.0 . 3.68 547 547 A 41 LEU H A 40 GLU HBx 1.0 . 4.28 548 548 A 73 LEU H A 73 LEU HDy% 1.0 . 4.98 549 549 A 73 LEU H A 73 LEU HG 1.0 . 4.14 550 550 A 38 VAL HGy% A 73 LEU H 1.0 . 5.50 551 551 A 73 LEU H A 72 LEU HG 1.0 . 5.50 552 552 A 73 LEU H A 72 LEU HBy 1.0 . 4.66 553 553 A 73 LEU HDx% A 73 LEU H 1.0 . 3.65 554 554 A 73 LEU H A 41 LEU HDx% 1.0 . 4.94 555 555 A 73 LEU H A 74 THR HB 1.0 . 4.87 556 556 A 73 LEU HBy A 73 LEU H 1.0 . 3.96 557 557 A 85 GLU H A 84 TYR H 1.0 . 3.51 558 558 A 85 GLU H A 85 GLU HBy 1.0 . 3.68 559 559 A 85 GLU H A 85 GLU HBx 1.0 . 3.68 560 560 A 64 ALA HA A 69 ASN H 1.0 . 3.90 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 79 VAL H A 100 TRP O 1.0 . 2.0 2 2 A 100 TRP O A 79 VAL N 1.0 . 3.0 3 3 A 100 TRP H A 79 VAL O 1.0 . 2.0 4 4 A 79 VAL O A 100 TRP N 1.0 . 3.0 5 5 A 64 ALA H A 60 TYR O 1.0 . 2.0 6 6 A 60 TYR O A 64 ALA N 1.0 . 3.0 7 7 A 73 LEU H A 80 TRP O 1.0 . 2.0 8 8 A 80 TRP O A 73 LEU N 1.0 . 3.0 9 9 A 102 TRP H A 77 GLU O 1.0 . 2.0 10 10 A 77 GLU O A 102 TRP N 1.0 . 3.0 11 11 A 46 LEU H A 42 THR O 1.0 . 2.0 12 12 A 42 THR O A 46 LEU N 1.0 . 3.0 13 13 A 74 THR H A 39 ARG O 1.0 . 2.0 14 14 A 39 ARG O A 74 THR N 1.0 . 3.0 15 15 A 106 LYS H A 102 TRP O 1.0 . 2.0 16 16 A 102 TRP O A 106 LYS N 1.0 . 3.0 17 17 A 39 ARG H A 74 THR O 1.0 . 2.0 18 18 A 74 THR O A 39 ARG N 1.0 . 3.0 19 19 A 52 ALA H A 48 LEU O 1.0 . 2.0 20 20 A 48 LEU O A 52 ALA N 1.0 . 3.0 21 21 A 84 TYR H A 86 GLU O 1.0 . 2.0 22 22 A 86 GLU O A 84 TYR N 1.0 . 3.0 23 23 A 81 VAL H A 98 ARG O 1.0 . 2.0 24 24 A 98 ARG O A 81 VAL N 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 37 LYS C A 38 VAL N A 38 VAL CA A 38 VAL C 1.0 -145.1 -67.4 PHI 2 2 A 38 VAL N A 38 VAL CA A 38 VAL C A 39 ARG N 1.0 118.8 168.6 PSI 3 3 A 38 VAL C A 39 ARG N A 39 ARG CA A 39 ARG C 1.0 -170.2 -88.4 PHI 4 4 A 39 ARG N A 39 ARG CA A 39 ARG C A 40 GLU N 1.0 135.7 186.5 PSI 5 5 A 39 ARG C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -157.9 -25.5 PHI 6 6 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 LEU N 1.0 89.0 183.6 PSI 7 7 A 41 LEU C A 42 THR N A 42 THR CA A 42 THR C 1.0 -158.1 -38.4 PHI 8 8 A 42 THR N A 42 THR CA A 42 THR C A 43 PRO N 1.0 104.3 207.0 PSI 9 9 A 43 PRO C A 44 GLN N A 44 GLN CA A 44 GLN C 1.0 -75.6 -55.6 PHI 10 10 A 44 GLN N A 44 GLN CA A 44 GLN C A 45 GLU N 1.0 -50.0 -20.4 PSI 11 11 A 44 GLN C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -75.4 -55.4 PHI 12 12 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 LEU N 1.0 -55.4 -31.8 PSI 13 13 A 45 GLU C A 46 LEU N A 46 LEU CA A 46 LEU C 1.0 -73.6 -53.1 PHI 14 14 A 46 LEU N A 46 LEU CA A 46 LEU C A 47 GLU N 1.0 -51.1 -31.1 PSI 15 15 A 46 LEU C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -76.9 -53.4 PHI 16 16 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 LEU N 1.0 -56.3 -25.5 PSI 17 17 A 47 GLU C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -75.2 -55.0 PHI 18 18 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 PHE N 1.0 -61.5 -22.0 PSI 19 19 A 48 LEU C A 49 PHE N A 49 PHE CA A 49 PHE C 1.0 -73.8 -52.0 PHI 20 20 A 49 PHE N A 49 PHE CA A 49 PHE C A 50 LYS N 1.0 -54.8 -34.8 PSI 21 21 A 49 PHE C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 -70.9 -47.1 PHI 22 22 A 50 LYS N A 50 LYS CA A 50 LYS C A 51 ARG N 1.0 -53.2 -33.2 PSI 23 23 A 50 LYS C A 51 ARG N A 51 ARG CA A 51 ARG C 1.0 -78.4 -46.8 PHI 24 24 A 51 ARG N A 51 ARG CA A 51 ARG C A 52 ALA N 1.0 -54.8 -21.1 PSI 25 25 A 51 ARG C A 52 ALA N A 52 ALA CA A 52 ALA C 1.0 -83.4 -49.4 PHI 26 26 A 52 ALA N A 52 ALA CA A 52 ALA C A 53 MET N 1.0 -62.2 -8.6 PSI 27 27 A 52 ALA C A 53 MET N A 53 MET CA A 53 MET C 1.0 -115.6 -68.7 PHI 28 28 A 53 MET N A 53 MET CA A 53 MET C A 54 GLY N 1.0 -10.5 25.5 PSI 29 29 A 53 MET C A 54 GLY N A 54 GLY CA A 54 GLY C 1.0 71.3 103.0 PHI 30 30 A 54 GLY N A 54 GLY CA A 54 GLY C A 55 ILE N 1.0 -33.6 34.4 PSI 31 31 A 54 GLY C A 55 ILE N A 55 ILE CA A 55 ILE C 1.0 -105.0 -45.0 PHI 32 32 A 55 ILE N A 55 ILE CA A 55 ILE C A 56 THR N 1.0 102.5 159.4 PSI 33 33 A 55 ILE C A 56 THR N A 56 THR CA A 56 THR C 1.0 -128.3 -61.1 PHI 34 34 A 56 THR N A 56 THR CA A 56 THR C A 57 PRO N 1.0 92.9 183.2 PSI 35 35 A 57 PRO C A 58 HIS N A 58 HIS CA A 58 HIS C 1.0 -103.1 -34.3 PHI 36 36 A 58 HIS N A 58 HIS CA A 58 HIS C A 59 ASN N 1.0 -47.1 2.8 PSI 37 37 A 58 HIS C A 59 ASN N A 59 ASN CA A 59 ASN C 1.0 -145.5 -52.9 PHI 38 38 A 59 ASN N A 59 ASN CA A 59 ASN C A 60 TYR N 1.0 -61.3 53.2 PSI 39 39 A 59 ASN C A 60 TYR N A 60 TYR CA A 60 TYR C 1.0 -73.3 -40.8 PHI 40 40 A 60 TYR N A 60 TYR CA A 60 TYR C A 61 TRP N 1.0 -63.1 -26.6 PSI 41 41 A 60 TYR C A 61 TRP N A 61 TRP CA A 61 TRP C 1.0 -74.1 -54.1 PHI 42 42 A 61 TRP N A 61 TRP CA A 61 TRP C A 62 GLN N 1.0 -52.8 -20.4 PSI 43 43 A 61 TRP C A 62 GLN N A 62 GLN CA A 62 GLN C 1.0 -74.8 -54.8 PHI 44 44 A 62 GLN N A 62 GLN CA A 62 GLN C A 63 TRP N 1.0 -53.3 -30.2 PSI 45 45 A 62 GLN C A 63 TRP N A 63 TRP CA A 63 TRP C 1.0 -75.5 -55.5 PHI 46 46 A 63 TRP N A 63 TRP CA A 63 TRP C A 64 ALA N 1.0 -51.9 -29.4 PSI 47 47 A 63 TRP C A 64 ALA N A 64 ALA CA A 64 ALA C 1.0 -75.4 -53.8 PHI 48 48 A 64 ALA N A 64 ALA CA A 64 ALA C A 65 SER N 1.0 -48.7 -28.7 PSI 49 49 A 64 ALA C A 65 SER N A 65 SER CA A 65 SER C 1.0 -78.6 -57.4 PHI 50 50 A 65 SER N A 65 SER CA A 65 SER C A 66 ARG N 1.0 -50.9 -6.8 PSI 51 51 A 65 SER C A 66 ARG N A 66 ARG CA A 66 ARG C 1.0 -87.5 -48.5 PHI 52 52 A 66 ARG N A 66 ARG CA A 66 ARG C A 67 THR N 1.0 -51.3 3.2 PSI 53 53 A 67 THR C A 68 ASN N A 68 ASN CA A 68 ASN C 1.0 46.7 68.4 PHI 54 54 A 68 ASN N A 68 ASN CA A 68 ASN C A 69 ASN N 1.0 16.6 61.0 PSI 55 55 A 68 ASN C A 69 ASN N A 69 ASN CA A 69 ASN C 1.0 36.1 95.8 PHI 56 56 A 69 ASN N A 69 ASN CA A 69 ASN C A 70 PHE N 1.0 -13.4 62.0 PSI 57 57 A 69 ASN C A 70 PHE N A 70 PHE CA A 70 PHE C 1.0 45.8 95.4 PHI 58 58 A 70 PHE N A 70 PHE CA A 70 PHE C A 71 LYS N 1.0 -23.9 51.9 PSI 59 59 A 70 PHE C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -118.2 -61.9 PHI 60 60 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 LEU N 1.0 35.2 169.0 PSI 61 61 A 71 LYS C A 72 LEU N A 72 LEU CA A 72 LEU C 1.0 -166.7 -73.5 PHI 62 62 A 72 LEU N A 72 LEU CA A 72 LEU C A 73 LEU N 1.0 110.8 174.5 PSI 63 63 A 72 LEU C A 73 LEU N A 73 LEU CA A 73 LEU C 1.0 -149.0 -87.0 PHI 64 64 A 73 LEU N A 73 LEU CA A 73 LEU C A 74 THR N 1.0 115.0 175.2 PSI 65 65 A 73 LEU C A 74 THR N A 74 THR CA A 74 THR C 1.0 -171.7 -105.3 PHI 66 66 A 74 THR N A 74 THR CA A 74 THR C A 75 ASP N 1.0 135.4 170.7 PSI 67 67 A 74 THR C A 75 ASP N A 75 ASP CA A 75 ASP C 1.0 -148.5 -64.4 PHI 68 68 A 75 ASP N A 75 ASP CA A 75 ASP C A 76 GLY N 1.0 129.3 158.0 PSI 69 69 A 76 GLY C A 77 GLU N A 77 GLU CA A 77 GLU C 1.0 -136.5 -59.2 PHI 70 70 A 77 GLU N A 77 GLU CA A 77 GLU C A 78 TRP N 1.0 98.7 167.9 PSI 71 71 A 77 GLU C A 78 TRP N A 78 TRP CA A 78 TRP C 1.0 -155.2 -85.7 PHI 72 72 A 78 TRP N A 78 TRP CA A 78 TRP C A 79 VAL N 1.0 114.7 148.2 PSI 73 73 A 78 TRP C A 79 VAL N A 79 VAL CA A 79 VAL C 1.0 -150.0 -99.2 PHI 74 74 A 79 VAL N A 79 VAL CA A 79 VAL C A 80 TRP N 1.0 104.2 163.3 PSI 75 75 A 79 VAL C A 80 TRP N A 80 TRP CA A 80 TRP C 1.0 -174.3 -104.3 PHI 76 76 A 80 TRP N A 80 TRP CA A 80 TRP C A 81 VAL N 1.0 130.5 182.4 PSI 77 77 A 80 TRP C A 81 VAL N A 81 VAL CA A 81 VAL C 1.0 -145.5 -53.6 PHI 78 78 A 81 VAL N A 81 VAL CA A 81 VAL C A 82 GLU N 1.0 105.1 163.3 PSI 79 79 A 81 VAL C A 82 GLU N A 82 GLU CA A 82 GLU C 1.0 -75.9 -32.2 PHI 80 80 A 82 GLU N A 82 GLU CA A 82 GLU C A 83 GLY N 1.0 118.4 148.5 PSI 81 81 A 82 GLU C A 83 GLY N A 83 GLY CA A 83 GLY C 1.0 54.0 108.3 PHI 82 82 A 83 GLY N A 83 GLY CA A 83 GLY C A 84 TYR N 1.0 -32.3 43.8 PSI 83 83 A 83 GLY C A 84 TYR N A 84 TYR CA A 84 TYR C 1.0 -129.4 -37.5 PHI 84 84 A 84 TYR N A 84 TYR CA A 84 TYR C A 85 GLU N 1.0 -66.9 39.6 PSI 85 85 A 84 TYR C A 85 GLU N A 85 GLU CA A 85 GLU C 1.0 -70.4 -50.4 PHI 86 86 A 85 GLU N A 85 GLU CA A 85 GLU C A 86 GLU N 1.0 -56.5 -22.2 PSI 87 87 A 85 GLU C A 86 GLU N A 86 GLU CA A 86 GLU C 1.0 -85.4 -52.1 PHI 88 88 A 86 GLU N A 86 GLU CA A 86 GLU C A 87 HIS N 1.0 -55.0 12.1 PSI 89 89 A 86 GLU C A 87 HIS N A 87 HIS CA A 87 HIS C 1.0 -134.1 -65.1 PHI 90 90 A 87 HIS N A 87 HIS CA A 87 HIS C A 88 ILE N 1.0 -57.0 26.6 PSI 91 91 A 88 ILE C A 89 GLY N A 89 GLY CA A 89 GLY C 1.0 64.7 109.3 PHI 92 92 A 89 GLY N A 89 GLY CA A 89 GLY C A 90 LYS N 1.0 -34.8 19.8 PSI 93 93 A 89 GLY C A 90 LYS N A 90 LYS CA A 90 LYS C 1.0 -135.2 -77.3 PHI 94 94 A 90 LYS N A 90 LYS CA A 90 LYS C A 91 GLN N 1.0 106.6 175.5 PSI 95 95 A 91 GLN C A 92 LEU N A 92 LEU CA A 92 LEU C 1.0 -152.9 -37.4 PHI 96 96 A 92 LEU N A 92 LEU CA A 92 LEU C A 93 PRO N 1.0 96.1 178.9 PSI 97 97 A 94 LEU C A 95 ASN N A 95 ASN CA A 95 ASN C 1.0 -80.6 -50.9 PHI 98 98 A 95 ASN N A 95 ASN CA A 95 ASN C A 96 GLN N 1.0 -68.4 10.9 PSI 99 99 A 95 ASN C A 96 GLN N A 96 GLN CA A 96 GLN C 1.0 -127.8 -70.2 PHI 100 100 A 96 GLN N A 96 GLN CA A 96 GLN C A 97 ALA N 1.0 -40.5 33.2 PSI 101 101 A 96 GLN C A 97 ALA N A 97 ALA CA A 97 ALA C 1.0 -105.8 -42.5 PHI 102 102 A 97 ALA N A 97 ALA CA A 97 ALA C A 98 ARG N 1.0 119.7 156.0 PSI 103 103 A 98 ARG C A 99 ALA N A 99 ALA CA A 99 ALA C 1.0 -180.7 -93.3 PHI 104 104 A 99 ALA N A 99 ALA CA A 99 ALA C A 100 TRP N 1.0 136.7 173.4 PSI 105 105 A 99 ALA C A 100 TRP N A 100 TRP CA A 100 TRP C 1.0 -174.8 -89.2 PHI 106 106 A 100 TRP N A 100 TRP CA A 100 TRP C A 101 SER N 1.0 104.7 159.7 PSI 107 107 A 100 TRP C A 101 SER N A 101 SER CA A 101 SER C 1.0 -106.1 -54.8 PHI 108 108 A 101 SER N A 101 SER CA A 101 SER C A 102 TRP N 1.0 115.5 208.1 PSI 109 109 A 101 SER C A 102 TRP N A 102 TRP CA A 102 TRP C 1.0 -71.0 -51.0 PHI 110 110 A 102 TRP N A 102 TRP CA A 102 TRP C A 103 GLU N 1.0 -50.0 -11.4 PSI 111 111 A 102 TRP C A 103 GLU N A 103 GLU CA A 103 GLU C 1.0 -80.9 -58.2 PHI 112 112 A 103 GLU N A 103 GLU CA A 103 GLU C A 104 PHE N 1.0 -46.5 -25.6 PSI 113 113 A 103 GLU C A 104 PHE N A 104 PHE CA A 104 PHE C 1.0 -104.2 -36.6 PHI 114 114 A 104 PHE N A 104 PHE CA A 104 PHE C A 105 ILE N 1.0 -63.6 -15.0 PSI 115 115 A 104 PHE C A 105 ILE N A 105 ILE CA A 105 ILE C 1.0 -73.7 -53.7 PHI 116 116 A 105 ILE N A 105 ILE CA A 105 ILE C A 106 LYS N 1.0 -53.0 -28.7 PSI 117 117 A 105 ILE C A 106 LYS N A 106 LYS CA A 106 LYS C 1.0 -72.2 -48.6 PHI 118 118 A 106 LYS N A 106 LYS CA A 106 LYS C A 107 ASN N 1.0 -52.8 -32.8 PSI 119 119 A 106 LYS C A 107 ASN N A 107 ASN CA A 107 ASN C 1.0 -75.0 -55.0 PHI 120 120 A 107 ASN N A 107 ASN CA A 107 ASN C A 108 ARG N 1.0 -52.1 -32.1 PSI 121 121 A 107 ASN C A 108 ARG N A 108 ARG CA A 108 ARG C 1.0 -75.9 -55.8 PHI 122 122 A 108 ARG N A 108 ARG CA A 108 ARG C A 109 LEU N 1.0 -52.7 -32.7 PSI 123 123 A 108 ARG C A 109 LEU N A 109 LEU CA A 109 LEU C 1.0 -71.9 -51.9 PHI 124 124 A 109 LEU N A 109 LEU CA A 109 LEU C A 110 LYS N 1.0 -61.7 -17.5 PSI 125 125 A 109 LEU C A 110 LYS N A 110 LYS CA A 110 LYS C 1.0 -70.8 -50.8 PHI 126 126 A 110 LYS N A 110 LYS CA A 110 LYS C A 111 GLU N 1.0 -52.4 -32.4 PSI 127 127 A 110 LYS C A 111 GLU N A 111 GLU CA A 111 GLU C 1.0 -77.0 -55.6 PHI 128 128 A 111 GLU N A 111 GLU CA A 111 GLU C A 112 LEU N 1.0 -55.4 -14.7 PSI 129 129 A 111 GLU C A 112 LEU N A 112 LEU CA A 112 LEU C 1.0 -124.5 -76.7 PHI 130 130 A 112 LEU N A 112 LEU CA A 112 LEU C A 113 ASN N 1.0 -39.9 29.5 PSI stop_ save_