data_nef_c18714_2ly9 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 TargetDB HR7907F stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 SER start . . 2 A 2 HIS middle . . 3 A 3 MET middle . . 4 A 4 PRO middle . false 5 A 5 ASP middle . . 6 A 6 SER middle . . 7 A 7 PHE middle . . 8 A 8 GLY middle . false 9 A 9 ILE middle . . 10 A 10 ARG middle . . 11 A 11 ALA middle . . 12 A 12 LYS middle . . 13 A 13 LYS middle . . 14 A 14 THR middle . . 15 A 15 LYS middle . . 16 A 16 GLU middle . . 17 A 17 GLN middle . . 18 A 18 LEU middle . . 19 A 19 ALA middle . . 20 A 20 GLU middle . . 21 A 21 LEU middle . . 22 A 22 LYS middle . . 23 A 23 VAL middle . . 24 A 24 SER middle . . 25 A 25 TYR middle . . 26 A 26 LEU middle . . 27 A 27 LYS middle . . 28 A 28 ASN middle . . 29 A 29 GLN middle . . 30 A 30 PHE middle . . 31 A 31 PRO middle . false 32 A 32 HIS middle . . 33 A 33 ASP middle . . 34 A 34 SER middle . . 35 A 35 GLU middle . . 36 A 36 ILE middle . . 37 A 37 ILE middle . . 38 A 38 ARG middle . . 39 A 39 LEU middle . . 40 A 40 MET middle . . 41 A 41 LYS middle . . 42 A 42 ILE middle . . 43 A 43 THR middle . . 44 A 44 GLY middle . false 45 A 45 LEU middle . . 46 A 46 THR middle . . 47 A 47 LYS middle . . 48 A 48 GLY middle . false 49 A 49 GLU middle . . 50 A 50 ILE middle . . 51 A 51 LYS middle . . 52 A 52 LYS middle . . 53 A 53 TRP middle . . 54 A 54 PHE middle . . 55 A 55 SER middle . . 56 A 56 ASP middle . . 57 A 57 THR middle . . 58 A 58 ARG middle . . 59 A 59 TYR middle . . 60 A 60 ASN middle . . 61 A 61 GLN middle . . 62 A 62 ARG middle . . 63 A 63 ASN middle . . 64 A 64 SER middle . . 65 A 65 LYS middle . . 66 A 66 SER middle . . 67 A 67 ASN middle . . 68 A 68 GLN middle . . 69 A 69 CYS middle . . 70 A 70 LEU middle . . 71 A 71 HIS middle . . 72 A 72 LEU middle . . 73 A 73 ASN middle . . 74 A 74 ASN 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 4 PRO HA H 1 4.384 0.02 A 4 PRO HBx H 1 1.901 0.02 A 4 PRO HBy H 1 2.289 0.02 A 4 PRO HDy H 1 3.750 0.02 A 4 PRO HDx H 1 3.617 0.02 A 4 PRO HG2 H 1 1.991 0.02 A 4 PRO HG3 H 1 1.991 0.02 A 4 PRO C C 13 176.388 0.2 A 4 PRO CA C 13 63.097 0.2 A 4 PRO CB C 13 32.056 0.2 A 4 PRO CD C 13 50.522 0.2 A 4 PRO CG C 13 27.201 0.2 A 5 ASP H H 1 8.415 0.02 A 5 ASP HA H 1 4.544 0.02 A 5 ASP HB2 H 1 2.632 0.02 A 5 ASP HB3 H 1 2.632 0.02 A 5 ASP C C 13 176.336 0.2 A 5 ASP CA C 13 54.322 0.2 A 5 ASP CB C 13 41.006 0.2 A 5 ASP N N 15 120.482 0.2 A 6 SER H H 1 8.146 0.02 A 6 SER HA H 1 4.326 0.02 A 6 SER HBx H 1 3.751 0.02 A 6 SER HBy H 1 3.778 0.02 A 6 SER C C 13 174.494 0.2 A 6 SER CA C 13 58.559 0.2 A 6 SER CB C 13 63.461 0.2 A 6 SER N N 15 115.481 0.2 A 7 PHE H H 1 8.236 0.02 A 7 PHE HA H 1 4.559 0.02 A 7 PHE HBx H 1 3.061 0.02 A 7 PHE HBy H 1 3.190 0.02 A 7 PHE HD1 H 1 7.258 0.02 A 7 PHE HD2 H 1 7.258 0.02 A 7 PHE HE1 H 1 7.349 0.02 A 7 PHE HE2 H 1 7.349 0.02 A 7 PHE C C 13 176.285 0.2 A 7 PHE CA C 13 58.227 0.2 A 7 PHE CB C 13 39.213 0.2 A 7 PHE CD1 C 13 131.653 0.2 A 7 PHE CD2 C 13 131.653 0.2 A 7 PHE CE1 C 13 131.610 0.2 A 7 PHE CE2 C 13 131.610 0.2 A 7 PHE N N 15 121.475 0.2 A 8 GLY H H 1 8.256 0.02 A 8 GLY HAx H 1 3.869 0.02 A 8 GLY HAy H 1 3.917 0.02 A 8 GLY C C 13 174.124 0.2 A 8 GLY CA C 13 45.366 0.2 A 8 GLY N N 15 109.715 0.2 A 9 ILE H H 1 7.975 0.02 A 9 ILE HA H 1 4.112 0.02 A 9 ILE HB H 1 1.883 0.02 A 9 ILE HD1% H 1 0.860 0.02 A 9 ILE HG1x H 1 1.194 0.02 A 9 ILE HG1y H 1 1.469 0.02 A 9 ILE HG2% H 1 0.902 0.02 A 9 ILE C C 13 176.429 0.2 A 9 ILE CA C 13 61.453 0.2 A 9 ILE CB C 13 38.386 0.2 A 9 ILE CD1 C 13 12.801 0.2 A 9 ILE CG1 C 13 27.298 0.2 A 9 ILE CG2 C 13 17.361 0.2 A 9 ILE N N 15 120.361 0.2 A 10 ARG H H 1 8.407 0.02 A 10 ARG HA H 1 4.326 0.02 A 10 ARG HBx H 1 1.776 0.02 A 10 ARG HBy H 1 1.860 0.02 A 10 ARG HD2 H 1 3.192 0.02 A 10 ARG HD3 H 1 3.192 0.02 A 10 ARG HG2 H 1 1.652 0.02 A 10 ARG HG3 H 1 1.652 0.02 A 10 ARG C C 13 175.925 0.2 A 10 ARG CA C 13 55.824 0.2 A 10 ARG CB C 13 30.482 0.2 A 10 ARG CD C 13 43.125 0.2 A 10 ARG CG C 13 27.039 0.2 A 10 ARG N N 15 124.698 0.2 A 11 ALA H H 1 8.257 0.02 A 11 ALA HA H 1 4.273 0.02 A 11 ALA HB% H 1 1.379 0.02 A 11 ALA C C 13 177.715 0.2 A 11 ALA CA C 13 52.525 0.2 A 11 ALA CB C 13 19.094 0.2 A 11 ALA N N 15 124.966 0.2 A 12 LYS H H 1 8.217 0.02 A 12 LYS HA H 1 4.325 0.02 A 12 LYS HBx H 1 1.767 0.02 A 12 LYS HBy H 1 1.850 0.02 A 12 LYS HD2 H 1 1.689 0.02 A 12 LYS HD3 H 1 1.689 0.02 A 12 LYS HE2 H 1 2.996 0.02 A 12 LYS HE3 H 1 2.996 0.02 A 12 LYS HGy H 1 1.468 0.02 A 12 LYS HGx H 1 1.420 0.02 A 12 LYS C C 13 176.655 0.2 A 12 LYS CA C 13 56.114 0.2 A 12 LYS CB C 13 32.985 0.2 A 12 LYS CD C 13 29.010 0.2 A 12 LYS CE C 13 42.033 0.2 A 12 LYS CG C 13 24.644 0.2 A 12 LYS N N 15 120.850 0.2 A 13 LYS H H 1 8.317 0.02 A 13 LYS HA H 1 4.608 0.02 A 13 LYS HBx H 1 1.695 0.02 A 13 LYS HBy H 1 1.781 0.02 A 13 LYS HDy H 1 1.559 0.02 A 13 LYS HDx H 1 1.439 0.02 A 13 LYS HEx H 1 2.768 0.02 A 13 LYS HEy H 1 2.906 0.02 A 13 LYS HGx H 1 1.357 0.02 A 13 LYS HGy H 1 1.564 0.02 A 13 LYS C C 13 177.005 0.2 A 13 LYS CA C 13 55.875 0.2 A 13 LYS CB C 13 33.731 0.2 A 13 LYS CD C 13 29.028 0.2 A 13 LYS CE C 13 41.395 0.2 A 13 LYS CG C 13 25.120 0.2 A 13 LYS N N 15 122.258 0.2 A 14 THR H H 1 8.747 0.02 A 14 THR HA H 1 4.387 0.02 A 14 THR HB H 1 4.672 0.02 A 14 THR HG2% H 1 1.274 0.02 A 14 THR C C 13 175.215 0.2 A 14 THR CA C 13 61.057 0.2 A 14 THR CB C 13 70.754 0.2 A 14 THR CG2 C 13 21.673 0.2 A 14 THR N N 15 113.409 0.2 A 15 LYS H H 1 8.804 0.02 A 15 LYS HA H 1 3.963 0.02 A 15 LYS HBy H 1 1.903 0.02 A 15 LYS HBx H 1 1.801 0.02 A 15 LYS HD2 H 1 1.683 0.02 A 15 LYS HD3 H 1 1.683 0.02 A 15 LYS HE2 H 1 2.998 0.02 A 15 LYS HE3 H 1 2.998 0.02 A 15 LYS HG2 H 1 1.504 0.02 A 15 LYS HG3 H 1 1.504 0.02 A 15 LYS C C 13 178.898 0.2 A 15 LYS CA C 13 59.587 0.2 A 15 LYS CB C 13 32.016 0.2 A 15 LYS CD C 13 29.243 0.2 A 15 LYS CE C 13 42.051 0.2 A 15 LYS CG C 13 24.603 0.2 A 15 LYS N N 15 120.711 0.2 A 16 GLU H H 1 8.715 0.02 A 16 GLU HA H 1 4.043 0.02 A 16 GLU HBy H 1 2.092 0.02 A 16 GLU HBx H 1 1.957 0.02 A 16 GLU HGy H 1 2.485 0.02 A 16 GLU HGx H 1 2.270 0.02 A 16 GLU C C 13 179.536 0.2 A 16 GLU CA C 13 60.111 0.2 A 16 GLU CB C 13 28.697 0.2 A 16 GLU CG C 13 37.153 0.2 A 16 GLU N N 15 119.447 0.2 A 17 GLN H H 1 7.811 0.02 A 17 GLN HA H 1 3.861 0.02 A 17 GLN HB2 H 1 2.460 0.02 A 17 GLN HB3 H 1 1.499 0.02 A 17 GLN HE21 H 1 7.732 0.02 A 17 GLN HE22 H 1 6.799 0.02 A 17 GLN HG2 H 1 2.309 0.02 A 17 GLN HG3 H 1 2.689 0.02 A 17 GLN C C 13 177.725 0.2 A 17 GLN CA C 13 58.885 0.2 A 17 GLN CB C 13 28.701 0.2 A 17 GLN CG C 13 34.472 0.2 A 17 GLN N N 15 119.610 0.2 A 17 GLN NE2 N 15 110.709 0.2 A 18 LEU H H 1 8.190 0.02 A 18 LEU HA H 1 3.584 0.02 A 18 LEU HBx H 1 1.397 0.02 A 18 LEU HBy H 1 1.679 0.02 A 18 LEU HD1% H 1 0.845 0.02 A 18 LEU HD2% H 1 0.803 0.02 A 18 LEU HG H 1 1.544 0.02 A 18 LEU C C 13 178.250 0.2 A 18 LEU CA C 13 57.228 0.2 A 18 LEU CB C 13 41.663 0.2 A 18 LEU CD1 C 13 24.873 0.2 A 18 LEU CD2 C 13 23.406 0.2 A 18 LEU CG C 13 26.885 0.2 A 18 LEU N N 15 116.893 0.2 A 19 ALA H H 1 8.013 0.02 A 19 ALA HA H 1 3.987 0.02 A 19 ALA HB% H 1 1.463 0.02 A 19 ALA C C 13 180.071 0.2 A 19 ALA CA C 13 55.131 0.2 A 19 ALA CB C 13 17.921 0.2 A 19 ALA N N 15 120.561 0.2 A 20 GLU H H 1 7.165 0.02 A 20 GLU HA H 1 4.037 0.02 A 20 GLU HB2 H 1 1.830 0.02 A 20 GLU HB3 H 1 1.830 0.02 A 20 GLU HG2 H 1 2.340 0.02 A 20 GLU HG3 H 1 2.146 0.02 A 20 GLU C C 13 179.526 0.2 A 20 GLU CA C 13 57.944 0.2 A 20 GLU CB C 13 28.860 0.2 A 20 GLU CG C 13 34.666 0.2 A 20 GLU N N 15 115.648 0.2 A 21 LEU H H 1 7.428 0.02 A 21 LEU HA H 1 3.558 0.02 A 21 LEU HB2 H 1 0.654 0.02 A 21 LEU HB3 H 1 -0.697 0.02 A 21 LEU HD1% H 1 -0.268 0.02 A 21 LEU HD2% H 1 0.582 0.02 A 21 LEU HG H 1 1.337 0.02 A 21 LEU C C 13 177.344 0.2 A 21 LEU CA C 13 57.911 0.2 A 21 LEU CB C 13 37.832 0.2 A 21 LEU CD1 C 13 23.716 0.2 A 21 LEU CD2 C 13 23.144 0.2 A 21 LEU CG C 13 25.878 0.2 A 21 LEU N N 15 120.140 0.2 A 22 LYS H H 1 8.021 0.02 A 22 LYS HA H 1 3.976 0.02 A 22 LYS HB2 H 1 1.894 0.02 A 22 LYS HB3 H 1 1.894 0.02 A 22 LYS HD2 H 1 1.691 0.02 A 22 LYS HD3 H 1 1.691 0.02 A 22 LYS HE2 H 1 2.948 0.02 A 22 LYS HE3 H 1 2.948 0.02 A 22 LYS HG2 H 1 1.480 0.02 A 22 LYS HG3 H 1 1.653 0.02 A 22 LYS C C 13 178.805 0.2 A 22 LYS CA C 13 60.282 0.2 A 22 LYS CB C 13 32.174 0.2 A 22 LYS CD C 13 29.142 0.2 A 22 LYS CE C 13 42.013 0.2 A 22 LYS CG C 13 25.936 0.2 A 22 LYS N N 15 117.352 0.2 A 23 VAL H H 1 7.618 0.02 A 23 VAL HA H 1 3.697 0.02 A 23 VAL HB H 1 2.087 0.02 A 23 VAL HG1% H 1 0.994 0.02 A 23 VAL HG2% H 1 1.093 0.02 A 23 VAL C C 13 178.291 0.2 A 23 VAL CA C 13 66.421 0.2 A 23 VAL CB C 13 31.710 0.2 A 23 VAL CG1 C 13 21.293 0.2 A 23 VAL CG2 C 13 22.792 0.2 A 23 VAL N N 15 117.470 0.2 A 24 SER H H 1 7.340 0.02 A 24 SER HA H 1 4.247 0.02 A 24 SER HB2 H 1 3.990 0.02 A 24 SER HB3 H 1 4.353 0.02 A 24 SER C C 13 177.015 0.2 A 24 SER CA C 13 61.550 0.2 A 24 SER CB C 13 62.987 0.2 A 24 SER N N 15 113.371 0.2 A 25 TYR H H 1 8.888 0.02 A 25 TYR HA H 1 4.252 0.02 A 25 TYR HB2 H 1 3.160 0.02 A 25 TYR HB3 H 1 3.238 0.02 A 25 TYR HD1 H 1 6.937 0.02 A 25 TYR HD2 H 1 6.937 0.02 A 25 TYR HE1 H 1 6.625 0.02 A 25 TYR HE2 H 1 6.625 0.02 A 25 TYR C C 13 176.470 0.2 A 25 TYR CA C 13 61.795 0.2 A 25 TYR CB C 13 38.611 0.2 A 25 TYR CD1 C 13 132.890 0.2 A 25 TYR CD2 C 13 132.890 0.2 A 25 TYR CE1 C 13 117.720 0.2 A 25 TYR CE2 C 13 117.720 0.2 A 25 TYR N N 15 120.532 0.2 A 26 LEU H H 1 7.953 0.02 A 26 LEU HA H 1 4.035 0.02 A 26 LEU HBx H 1 1.586 0.02 A 26 LEU HBy H 1 1.926 0.02 A 26 LEU HD1% H 1 0.959 0.02 A 26 LEU HD2% H 1 0.985 0.02 A 26 LEU HG H 1 1.984 0.02 A 26 LEU C C 13 179.021 0.2 A 26 LEU CA C 13 56.850 0.2 A 26 LEU CB C 13 41.983 0.2 A 26 LEU CD1 C 13 25.234 0.2 A 26 LEU CD2 C 13 23.079 0.2 A 26 LEU CG C 13 26.945 0.2 A 26 LEU N N 15 115.079 0.2 A 27 LYS H H 1 7.503 0.02 A 27 LYS HA H 1 4.169 0.02 A 27 LYS HBx H 1 2.033 0.02 A 27 LYS HBy H 1 2.089 0.02 A 27 LYS HD2 H 1 1.730 0.02 A 27 LYS HD3 H 1 1.730 0.02 A 27 LYS HE2 H 1 2.995 0.02 A 27 LYS HE3 H 1 2.995 0.02 A 27 LYS HGx H 1 1.443 0.02 A 27 LYS HGy H 1 1.658 0.02 A 27 LYS C C 13 177.375 0.2 A 27 LYS CA C 13 58.501 0.2 A 27 LYS CB C 13 32.633 0.2 A 27 LYS CD C 13 29.089 0.2 A 27 LYS CE C 13 42.113 0.2 A 27 LYS CG C 13 25.016 0.2 A 27 LYS N N 15 119.058 0.2 A 28 ASN H H 1 8.163 0.02 A 28 ASN HA H 1 4.520 0.02 A 28 ASN HBx H 1 2.641 0.02 A 28 ASN HBy H 1 2.901 0.02 A 28 ASN HD2y H 1 7.502 0.02 A 28 ASN HD2x H 1 6.466 0.02 A 28 ASN C C 13 174.134 0.2 A 28 ASN CA C 13 53.705 0.2 A 28 ASN CB C 13 39.366 0.2 A 28 ASN N N 15 116.296 0.2 A 28 ASN ND2 N 15 111.658 0.2 A 29 GLN H H 1 8.560 0.02 A 29 GLN HA H 1 3.850 0.02 A 29 GLN HBx H 1 1.472 0.02 A 29 GLN HBy H 1 1.621 0.02 A 29 GLN HE2x H 1 6.665 0.02 A 29 GLN HE2y H 1 7.414 0.02 A 29 GLN HGx H 1 1.584 0.02 A 29 GLN HGy H 1 1.632 0.02 A 29 GLN C C 13 173.785 0.2 A 29 GLN CA C 13 57.602 0.2 A 29 GLN CB C 13 28.230 0.2 A 29 GLN CG C 13 33.696 0.2 A 29 GLN N N 15 123.819 0.2 A 29 GLN NE2 N 15 111.298 0.2 A 30 PHE H H 1 8.014 0.02 A 30 PHE HA H 1 4.742 0.02 A 30 PHE HBy H 1 2.984 0.02 A 30 PHE HBx H 1 2.783 0.02 A 30 PHE HD1 H 1 7.215 0.02 A 30 PHE HD2 H 1 7.215 0.02 A 30 PHE HE1 H 1 7.308 0.02 A 30 PHE HE2 H 1 7.308 0.02 A 30 PHE HZ H 1 7.250 0.02 A 30 PHE CA C 13 53.470 0.2 A 30 PHE CB C 13 39.136 0.2 A 30 PHE CD1 C 13 132.068 0.2 A 30 PHE CD2 C 13 132.068 0.2 A 30 PHE CE1 C 13 130.935 0.2 A 30 PHE CE2 C 13 130.935 0.2 A 30 PHE CZ C 13 129.345 0.2 A 30 PHE N N 15 116.997 0.2 A 31 PRO HA H 1 3.979 0.02 A 31 PRO HBx H 1 1.420 0.02 A 31 PRO HBy H 1 2.152 0.02 A 31 PRO HD2 H 1 3.188 0.02 A 31 PRO HD3 H 1 2.827 0.02 A 31 PRO HGy H 1 1.137 0.02 A 31 PRO HGx H 1 -0.053 0.02 A 31 PRO C C 13 177.285 0.2 A 31 PRO CA C 13 62.264 0.2 A 31 PRO CB C 13 30.777 0.2 A 31 PRO CD C 13 51.334 0.2 A 31 PRO CG C 13 25.648 0.2 A 32 HIS H H 1 8.401 0.02 A 32 HIS HA H 1 4.575 0.02 A 32 HIS HB2 H 1 3.212 0.02 A 32 HIS HB3 H 1 3.212 0.02 A 32 HIS HD2 H 1 7.218 0.02 A 32 HIS HE1 H 1 7.940 0.02 A 32 HIS C C 13 176.601 0.2 A 32 HIS CA C 13 55.416 0.2 A 32 HIS CB C 13 31.396 0.2 A 32 HIS CD2 C 13 118.777 0.2 A 32 HIS CE1 C 13 138.547 0.2 A 32 HIS N N 15 120.779 0.2 A 32 HIS ND1 N 15 232.758 0.2 A 32 HIS NE2 N 15 171.036 0.2 A 33 ASP H H 1 8.691 0.02 A 33 ASP HA H 1 4.276 0.02 A 33 ASP HB2 H 1 2.577 0.02 A 33 ASP HB3 H 1 2.577 0.02 A 33 ASP C C 13 178.064 0.2 A 33 ASP CA C 13 58.486 0.2 A 33 ASP CB C 13 40.451 0.2 A 33 ASP N N 15 124.390 0.2 A 34 SER H H 1 9.494 0.02 A 34 SER HA H 1 4.109 0.02 A 34 SER HBx H 1 3.975 0.02 A 34 SER HBy H 1 4.062 0.02 A 34 SER C C 13 176.645 0.2 A 34 SER CA C 13 60.282 0.2 A 34 SER CB C 13 61.931 0.2 A 34 SER N N 15 114.256 0.2 A 35 GLU H H 1 7.493 0.02 A 35 GLU HA H 1 4.903 0.02 A 35 GLU HBy H 1 2.075 0.02 A 35 GLU HBx H 1 1.963 0.02 A 35 GLU HGy H 1 2.597 0.02 A 35 GLU HGx H 1 2.071 0.02 A 35 GLU C C 13 177.715 0.2 A 35 GLU CA C 13 56.884 0.2 A 35 GLU CB C 13 28.521 0.2 A 35 GLU CG C 13 32.964 0.2 A 35 GLU N N 15 126.075 0.2 A 36 ILE H H 1 7.697 0.02 A 36 ILE HA H 1 3.603 0.02 A 36 ILE HB H 1 2.267 0.02 A 36 ILE HD1% H 1 0.634 0.02 A 36 ILE HG1x H 1 1.033 0.02 A 36 ILE HG1y H 1 1.481 0.02 A 36 ILE HG2% H 1 0.926 0.02 A 36 ILE C C 13 177.725 0.2 A 36 ILE CA C 13 64.945 0.2 A 36 ILE CB C 13 35.873 0.2 A 36 ILE CD1 C 13 11.382 0.2 A 36 ILE CG1 C 13 28.125 0.2 A 36 ILE CG2 C 13 17.755 0.2 A 36 ILE N N 15 120.906 0.2 A 37 ILE H H 1 8.229 0.02 A 37 ILE HA H 1 3.959 0.02 A 37 ILE HB H 1 1.910 0.02 A 37 ILE HD1% H 1 0.841 0.02 A 37 ILE HG1x H 1 1.244 0.02 A 37 ILE HG1y H 1 1.655 0.02 A 37 ILE HG2% H 1 0.947 0.02 A 37 ILE C C 13 178.085 0.2 A 37 ILE CA C 13 64.734 0.2 A 37 ILE CB C 13 37.781 0.2 A 37 ILE CD1 C 13 12.773 0.2 A 37 ILE CG1 C 13 29.133 0.2 A 37 ILE CG2 C 13 17.183 0.2 A 37 ILE N N 15 119.451 0.2 A 38 ARG H H 1 7.664 0.02 A 38 ARG HA H 1 3.968 0.02 A 38 ARG HBx H 1 1.911 0.02 A 38 ARG HBy H 1 2.157 0.02 A 38 ARG HDy H 1 3.487 0.02 A 38 ARG HDx H 1 2.947 0.02 A 38 ARG HE H 1 8.907 0.02 A 38 ARG HGy H 1 1.709 0.02 A 38 ARG HGx H 1 1.362 0.02 A 38 ARG C C 13 179.165 0.2 A 38 ARG CA C 13 59.921 0.2 A 38 ARG CB C 13 30.663 0.2 A 38 ARG CD C 13 42.213 0.2 A 38 ARG CG C 13 27.618 0.2 A 38 ARG N N 15 122.344 0.2 A 38 ARG NE N 15 82.810 0.2 A 39 LEU H H 1 8.629 0.02 A 39 LEU HA H 1 4.026 0.02 A 39 LEU HB2 H 1 2.303 0.02 A 39 LEU HB3 H 1 1.135 0.02 A 39 LEU HD1% H 1 1.154 0.02 A 39 LEU HD2% H 1 0.806 0.02 A 39 LEU HG H 1 1.938 0.02 A 39 LEU C C 13 181.316 0.2 A 39 LEU CA C 13 57.580 0.2 A 39 LEU CB C 13 43.384 0.2 A 39 LEU CD1 C 13 26.235 0.2 A 39 LEU CD2 C 13 23.267 0.2 A 39 LEU CG C 13 26.838 0.2 A 39 LEU N N 15 117.479 0.2 A 40 MET H H 1 9.112 0.02 A 40 MET HA H 1 3.957 0.02 A 40 MET HB2 H 1 2.319 0.02 A 40 MET HB3 H 1 2.362 0.02 A 40 MET HE% H 1 2.150 0.02 A 40 MET HGx H 1 2.552 0.02 A 40 MET HGy H 1 2.681 0.02 A 40 MET C C 13 178.466 0.2 A 40 MET CA C 13 60.109 0.2 A 40 MET CB C 13 34.065 0.2 A 40 MET CE C 13 16.112 0.2 A 40 MET CG C 13 30.793 0.2 A 40 MET N N 15 126.468 0.2 A 41 LYS H H 1 7.721 0.02 A 41 LYS HA H 1 4.040 0.02 A 41 LYS HB2 H 1 2.025 0.02 A 41 LYS HB3 H 1 2.025 0.02 A 41 LYS HD2 H 1 1.696 0.02 A 41 LYS HD3 H 1 1.696 0.02 A 41 LYS HE2 H 1 2.950 0.02 A 41 LYS HE3 H 1 2.950 0.02 A 41 LYS HG2 H 1 1.449 0.02 A 41 LYS HG3 H 1 1.613 0.02 A 41 LYS C C 13 178.805 0.2 A 41 LYS CA C 13 59.215 0.2 A 41 LYS CB C 13 32.127 0.2 A 41 LYS CD C 13 28.980 0.2 A 41 LYS CE C 13 42.094 0.2 A 41 LYS CG C 13 25.090 0.2 A 41 LYS N N 15 119.282 0.2 A 42 ILE H H 1 7.804 0.02 A 42 ILE HA H 1 4.150 0.02 A 42 ILE HB H 1 1.877 0.02 A 42 ILE HD1% H 1 0.834 0.02 A 42 ILE HG1x H 1 1.460 0.02 A 42 ILE HG1y H 1 1.511 0.02 A 42 ILE HG2% H 1 0.949 0.02 A 42 ILE C C 13 177.365 0.2 A 42 ILE CA C 13 62.717 0.2 A 42 ILE CB C 13 38.830 0.2 A 42 ILE CD1 C 13 13.104 0.2 A 42 ILE CG1 C 13 27.878 0.2 A 42 ILE CG2 C 13 17.415 0.2 A 42 ILE N N 15 114.582 0.2 A 43 THR H H 1 8.313 0.02 A 43 THR HA H 1 4.536 0.02 A 43 THR HB H 1 4.028 0.02 A 43 THR HG2% H 1 1.293 0.02 A 43 THR C C 13 176.120 0.2 A 43 THR CA C 13 63.136 0.2 A 43 THR CB C 13 72.060 0.2 A 43 THR CG2 C 13 21.172 0.2 A 43 THR N N 15 107.511 0.2 A 44 GLY H H 1 8.055 0.02 A 44 GLY HAx H 1 3.867 0.02 A 44 GLY HAy H 1 4.201 0.02 A 44 GLY C C 13 174.134 0.2 A 44 GLY CA C 13 45.805 0.2 A 44 GLY N N 15 111.235 0.2 A 45 LEU H H 1 7.708 0.02 A 45 LEU HA H 1 4.505 0.02 A 45 LEU HB2 H 1 1.666 0.02 A 45 LEU HB3 H 1 1.422 0.02 A 45 LEU HD1% H 1 0.621 0.02 A 45 LEU HD2% H 1 0.837 0.02 A 45 LEU HG H 1 1.416 0.02 A 45 LEU C C 13 176.634 0.2 A 45 LEU CA C 13 53.757 0.2 A 45 LEU CB C 13 43.306 0.2 A 45 LEU CD1 C 13 26.125 0.2 A 45 LEU CD2 C 13 23.096 0.2 A 45 LEU CG C 13 27.212 0.2 A 45 LEU N N 15 120.586 0.2 A 46 THR H H 1 8.570 0.02 A 46 THR HA H 1 4.325 0.02 A 46 THR HB H 1 4.694 0.02 A 46 THR HG2% H 1 1.375 0.02 A 46 THR C C 13 175.215 0.2 A 46 THR CA C 13 60.914 0.2 A 46 THR CB C 13 71.237 0.2 A 46 THR CG2 C 13 21.893 0.2 A 46 THR N N 15 109.308 0.2 A 47 LYS H H 1 8.797 0.02 A 47 LYS HA H 1 3.685 0.02 A 47 LYS HB2 H 1 2.088 0.02 A 47 LYS HB3 H 1 1.801 0.02 A 47 LYS HD2 H 1 1.677 0.02 A 47 LYS HD3 H 1 1.677 0.02 A 47 LYS HE2 H 1 2.906 0.02 A 47 LYS HE3 H 1 2.906 0.02 A 47 LYS HGx H 1 1.358 0.02 A 47 LYS HGy H 1 1.433 0.02 A 47 LYS C C 13 178.805 0.2 A 47 LYS CA C 13 60.792 0.2 A 47 LYS CB C 13 32.334 0.2 A 47 LYS CD C 13 29.322 0.2 A 47 LYS CE C 13 41.644 0.2 A 47 LYS CG C 13 25.237 0.2 A 47 LYS N N 15 121.342 0.2 A 48 GLY H H 1 8.715 0.02 A 48 GLY HA2 H 1 3.797 0.02 A 48 GLY HA3 H 1 3.941 0.02 A 48 GLY C C 13 177.149 0.2 A 48 GLY CA C 13 46.889 0.2 A 48 GLY N N 15 104.143 0.2 A 49 GLU H H 1 7.851 0.02 A 49 GLU HA H 1 4.090 0.02 A 49 GLU HB2 H 1 2.394 0.02 A 49 GLU HB3 H 1 1.891 0.02 A 49 GLU HG2 H 1 2.339 0.02 A 49 GLU HG3 H 1 2.339 0.02 A 49 GLU C C 13 179.886 0.2 A 49 GLU CA C 13 59.183 0.2 A 49 GLU CB C 13 30.690 0.2 A 49 GLU CG C 13 37.692 0.2 A 49 GLU N N 15 121.943 0.2 A 50 ILE H H 1 8.224 0.02 A 50 ILE HA H 1 3.760 0.02 A 50 ILE HB H 1 1.970 0.02 A 50 ILE HD1% H 1 0.716 0.02 A 50 ILE HG1x H 1 0.799 0.02 A 50 ILE HG1y H 1 1.859 0.02 A 50 ILE HG2% H 1 1.162 0.02 A 50 ILE C C 13 177.735 0.2 A 50 ILE CA C 13 66.118 0.2 A 50 ILE CB C 13 38.112 0.2 A 50 ILE CD1 C 13 14.648 0.2 A 50 ILE CG1 C 13 30.315 0.2 A 50 ILE CG2 C 13 19.252 0.2 A 50 ILE N N 15 121.748 0.2 A 51 LYS H H 1 8.842 0.02 A 51 LYS HA H 1 4.061 0.02 A 51 LYS HBy H 1 1.992 0.02 A 51 LYS HBx H 1 1.927 0.02 A 51 LYS HD2 H 1 1.723 0.02 A 51 LYS HD3 H 1 1.723 0.02 A 51 LYS HE2 H 1 2.994 0.02 A 51 LYS HE3 H 1 2.994 0.02 A 51 LYS HGy H 1 1.818 0.02 A 51 LYS HGx H 1 1.402 0.02 A 51 LYS C C 13 179.526 0.2 A 51 LYS CA C 13 61.120 0.2 A 51 LYS CB C 13 31.896 0.2 A 51 LYS CD C 13 29.202 0.2 A 51 LYS CE C 13 41.962 0.2 A 51 LYS CG C 13 26.576 0.2 A 51 LYS N N 15 119.119 0.2 A 52 LYS H H 1 8.208 0.02 A 52 LYS HA H 1 4.194 0.02 A 52 LYS HB2 H 1 1.951 0.02 A 52 LYS HB3 H 1 1.951 0.02 A 52 LYS HD2 H 1 1.699 0.02 A 52 LYS HD3 H 1 1.699 0.02 A 52 LYS HE2 H 1 3.000 0.02 A 52 LYS HE3 H 1 3.000 0.02 A 52 LYS HG2 H 1 1.461 0.02 A 52 LYS HG3 H 1 1.461 0.02 A 52 LYS C C 13 176.830 0.2 A 52 LYS CA C 13 58.750 0.2 A 52 LYS CB C 13 32.387 0.2 A 52 LYS CD C 13 29.122 0.2 A 52 LYS CE C 13 42.145 0.2 A 52 LYS CG C 13 24.843 0.2 A 52 LYS N N 15 120.252 0.2 A 53 TRP H H 1 8.132 0.02 A 53 TRP HA H 1 4.189 0.02 A 53 TRP HBx H 1 3.220 0.02 A 53 TRP HBy H 1 3.598 0.02 A 53 TRP HD1 H 1 7.142 0.02 A 53 TRP HE1 H 1 9.582 0.02 A 53 TRP HE3 H 1 6.775 0.02 A 53 TRP HH2 H 1 6.301 0.02 A 53 TRP HZ2 H 1 6.970 0.02 A 53 TRP HZ3 H 1 5.708 0.02 A 53 TRP C C 13 180.266 0.2 A 53 TRP CA C 13 62.719 0.2 A 53 TRP CB C 13 28.154 0.2 A 53 TRP CD1 C 13 125.670 0.2 A 53 TRP CE3 C 13 120.298 0.2 A 53 TRP CH2 C 13 122.842 0.2 A 53 TRP CZ2 C 13 114.299 0.2 A 53 TRP CZ3 C 13 121.102 0.2 A 53 TRP N N 15 120.333 0.2 A 53 TRP NE1 N 15 128.727 0.2 A 54 PHE H H 1 8.903 0.02 A 54 PHE HA H 1 3.714 0.02 A 54 PHE HB2 H 1 3.338 0.02 A 54 PHE HB3 H 1 3.160 0.02 A 54 PHE HD1 H 1 7.803 0.02 A 54 PHE HD2 H 1 7.803 0.02 A 54 PHE HE1 H 1 7.432 0.02 A 54 PHE HE2 H 1 7.432 0.02 A 54 PHE HZ H 1 7.613 0.02 A 54 PHE C C 13 177.488 0.2 A 54 PHE CA C 13 63.893 0.2 A 54 PHE CB C 13 39.402 0.2 A 54 PHE CD1 C 13 132.172 0.2 A 54 PHE CD2 C 13 132.172 0.2 A 54 PHE CE1 C 13 131.455 0.2 A 54 PHE CE2 C 13 131.455 0.2 A 54 PHE CZ C 13 130.418 0.2 A 54 PHE N N 15 120.742 0.2 A 55 SER H H 1 8.136 0.02 A 55 SER HA H 1 4.063 0.02 A 55 SER HB2 H 1 4.188 0.02 A 55 SER HB3 H 1 4.188 0.02 A 55 SER C C 13 177.571 0.2 A 55 SER CA C 13 62.419 0.2 A 55 SER CB C 13 62.673 0.2 A 55 SER N N 15 113.136 0.2 A 56 ASP H H 1 9.091 0.02 A 56 ASP HA H 1 4.298 0.02 A 56 ASP HB2 H 1 2.596 0.02 A 56 ASP HB3 H 1 2.417 0.02 A 56 ASP C C 13 178.085 0.2 A 56 ASP CA C 13 56.963 0.2 A 56 ASP CB C 13 39.721 0.2 A 56 ASP N N 15 122.871 0.2 A 57 THR H H 1 7.926 0.02 A 57 THR HA H 1 3.335 0.02 A 57 THR HB H 1 2.962 0.02 A 57 THR HG1 H 1 2.130 0.02 A 57 THR HG2% H 1 -0.127 0.02 A 57 THR C C 13 175.925 0.2 A 57 THR CA C 13 67.064 0.2 A 57 THR CB C 13 67.387 0.2 A 57 THR CG2 C 13 19.385 0.2 A 57 THR N N 15 118.957 0.2 A 58 ARG H H 1 8.139 0.02 A 58 ARG HA H 1 4.201 0.02 A 58 ARG HBx H 1 1.677 0.02 A 58 ARG HBy H 1 2.091 0.02 A 58 ARG HDy H 1 2.733 0.02 A 58 ARG HDx H 1 2.547 0.02 A 58 ARG HE H 1 7.374 0.02 A 58 ARG HGy H 1 2.182 0.02 A 58 ARG HGx H 1 1.637 0.02 A 58 ARG C C 13 179.536 0.2 A 58 ARG CA C 13 59.976 0.2 A 58 ARG CB C 13 31.394 0.2 A 58 ARG CD C 13 44.035 0.2 A 58 ARG CG C 13 28.827 0.2 A 58 ARG N N 15 120.980 0.2 A 59 TYR H H 1 8.004 0.02 A 59 TYR HA H 1 4.144 0.02 A 59 TYR HB2 H 1 3.202 0.02 A 59 TYR HB3 H 1 3.111 0.02 A 59 TYR HD1 H 1 7.134 0.02 A 59 TYR HD2 H 1 7.134 0.02 A 59 TYR HE1 H 1 6.798 0.02 A 59 TYR HE2 H 1 6.798 0.02 A 59 TYR C C 13 178.075 0.2 A 59 TYR CA C 13 61.320 0.2 A 59 TYR CB C 13 38.002 0.2 A 59 TYR CD1 C 13 133.217 0.2 A 59 TYR CD2 C 13 133.217 0.2 A 59 TYR CE1 C 13 118.012 0.2 A 59 TYR CE2 C 13 118.012 0.2 A 59 TYR N N 15 119.449 0.2 A 60 ASN H H 1 8.354 0.02 A 60 ASN HA H 1 4.354 0.02 A 60 ASN HB2 H 1 2.757 0.02 A 60 ASN HB3 H 1 2.757 0.02 A 60 ASN HD21 H 1 7.496 0.02 A 60 ASN HD22 H 1 6.893 0.02 A 60 ASN C C 13 177.005 0.2 A 60 ASN CA C 13 55.160 0.2 A 60 ASN CB C 13 38.292 0.2 A 60 ASN N N 15 118.169 0.2 A 60 ASN ND2 N 15 112.350 0.2 A 61 GLN H H 1 7.971 0.02 A 61 GLN HA H 1 4.141 0.02 A 61 GLN HBy H 1 2.182 0.02 A 61 GLN HBx H 1 2.042 0.02 A 61 GLN HE2y H 1 7.517 0.02 A 61 GLN HE2x H 1 6.965 0.02 A 61 GLN HGx H 1 2.368 0.02 A 61 GLN HGy H 1 2.413 0.02 A 61 GLN C C 13 177.046 0.2 A 61 GLN CA C 13 57.217 0.2 A 61 GLN CB C 13 28.466 0.2 A 61 GLN CG C 13 33.794 0.2 A 61 GLN N N 15 118.671 0.2 A 61 GLN NE2 N 15 113.033 0.2 A 62 ARG H H 1 7.690 0.02 A 62 ARG HA H 1 4.189 0.02 A 62 ARG HB2 H 1 1.814 0.02 A 62 ARG HB3 H 1 1.814 0.02 A 62 ARG HD2 H 1 3.114 0.02 A 62 ARG HD3 H 1 3.114 0.02 A 62 ARG HG2 H 1 1.611 0.02 A 62 ARG HG3 H 1 1.611 0.02 A 62 ARG C C 13 176.655 0.2 A 62 ARG CA C 13 57.462 0.2 A 62 ARG CB C 13 29.896 0.2 A 62 ARG CD C 13 43.205 0.2 A 62 ARG CG C 13 26.869 0.2 A 62 ARG N N 15 119.140 0.2 A 63 ASN H H 1 8.003 0.02 A 63 ASN HA H 1 4.734 0.02 A 63 ASN HBx H 1 2.499 0.02 A 63 ASN HBy H 1 2.768 0.02 A 63 ASN HD2y H 1 7.229 0.02 A 63 ASN HD2x H 1 6.656 0.02 A 63 ASN C C 13 175.194 0.2 A 63 ASN CA C 13 53.141 0.2 A 63 ASN CB C 13 38.875 0.2 A 63 ASN N N 15 117.472 0.2 A 63 ASN ND2 N 15 113.309 0.2 A 64 SER H H 1 7.942 0.02 A 64 SER HA H 1 4.402 0.02 A 64 SER HBy H 1 3.934 0.02 A 64 SER HBx H 1 3.898 0.02 A 64 SER C C 13 174.721 0.2 A 64 SER CA C 13 58.758 0.2 A 64 SER CB C 13 63.620 0.2 A 64 SER N N 15 115.768 0.2 A 65 LYS H H 1 8.319 0.02 A 65 LYS HA H 1 4.310 0.02 A 65 LYS HBx H 1 1.768 0.02 A 65 LYS HBy H 1 1.850 0.02 A 65 LYS HD2 H 1 1.690 0.02 A 65 LYS HD3 H 1 1.690 0.02 A 65 LYS HE2 H 1 2.997 0.02 A 65 LYS HE3 H 1 2.997 0.02 A 65 LYS HG2 H 1 1.466 0.02 A 65 LYS HG3 H 1 1.466 0.02 A 65 LYS C C 13 176.665 0.2 A 65 LYS CA C 13 56.366 0.2 A 65 LYS CB C 13 33.054 0.2 A 65 LYS CD C 13 29.111 0.2 A 65 LYS CE C 13 42.042 0.2 A 65 LYS CG C 13 24.808 0.2 A 65 LYS N N 15 122.579 0.2 A 66 SER H H 1 8.184 0.02 A 66 SER HA H 1 4.425 0.02 A 66 SER HB2 H 1 3.897 0.02 A 66 SER HB3 H 1 3.897 0.02 A 66 SER CA C 13 58.577 0.2 A 66 SER CB C 13 63.670 0.2 A 66 SER N N 15 115.560 0.2 A 67 ASN HA H 1 4.703 0.02 A 67 ASN HBx H 1 2.812 0.02 A 67 ASN HBy H 1 2.854 0.02 A 67 ASN HD2y H 1 7.581 0.02 A 67 ASN HD2x H 1 6.890 0.02 A 67 ASN C C 13 175.196 0.2 A 67 ASN CA C 13 53.417 0.2 A 67 ASN CB C 13 38.593 0.2 A 67 ASN ND2 N 15 112.469 0.2 A 68 GLN H H 1 8.283 0.02 A 68 GLN HA H 1 4.303 0.02 A 68 GLN HBx H 1 1.980 0.02 A 68 GLN HBy H 1 2.129 0.02 A 68 GLN HE2y H 1 7.491 0.02 A 68 GLN HE2x H 1 6.859 0.02 A 68 GLN HG2 H 1 2.344 0.02 A 68 GLN HG3 H 1 2.344 0.02 A 68 GLN C C 13 175.708 0.2 A 68 GLN CA C 13 56.172 0.2 A 68 GLN CB C 13 29.172 0.2 A 68 GLN CG C 13 33.659 0.2 A 68 GLN N N 15 120.106 0.2 A 68 GLN NE2 N 15 112.322 0.2 A 69 CYS H H 1 8.313 0.02 A 69 CYS HA H 1 4.404 0.02 A 69 CYS HB2 H 1 2.888 0.02 A 69 CYS HB3 H 1 2.888 0.02 A 69 CYS C C 13 174.412 0.2 A 69 CYS CA C 13 58.693 0.2 A 69 CYS CB C 13 27.610 0.2 A 69 CYS N N 15 119.599 0.2 A 70 LEU H H 1 8.201 0.02 A 70 LEU HA H 1 4.267 0.02 A 70 LEU HBy H 1 1.578 0.02 A 70 LEU HBx H 1 1.461 0.02 A 70 LEU HD1% H 1 0.852 0.02 A 70 LEU HD2% H 1 0.817 0.02 A 70 LEU HG H 1 1.523 0.02 A 70 LEU C C 13 176.645 0.2 A 70 LEU CA C 13 55.283 0.2 A 70 LEU CB C 13 42.259 0.2 A 70 LEU CD1 C 13 24.791 0.2 A 70 LEU CD2 C 13 23.244 0.2 A 70 LEU CG C 13 26.821 0.2 A 70 LEU N N 15 123.832 0.2 A 71 HIS H H 1 8.308 0.02 A 71 HIS HA H 1 4.648 0.02 A 71 HIS HBx H 1 3.093 0.02 A 71 HIS HBy H 1 3.165 0.02 A 71 HIS HD2 H 1 7.098 0.02 A 71 HIS HE1 H 1 8.149 0.02 A 71 HIS C C 13 174.494 0.2 A 71 HIS CA C 13 55.424 0.2 A 71 HIS CB C 13 29.687 0.2 A 71 HIS CD2 C 13 119.734 0.2 A 71 HIS CE1 C 13 137.465 0.2 A 71 HIS N N 15 119.423 0.2 A 71 HIS ND1 N 15 202.568 0.2 A 71 HIS NE2 N 15 176.749 0.2 A 72 LEU H H 1 8.146 0.02 A 72 LEU HA H 1 4.333 0.02 A 72 LEU HBx H 1 1.468 0.02 A 72 LEU HBy H 1 1.602 0.02 A 72 LEU HD1% H 1 0.886 0.02 A 72 LEU HD2% H 1 0.824 0.02 A 72 LEU HG H 1 1.534 0.02 A 72 LEU C C 13 176.645 0.2 A 72 LEU CA C 13 54.981 0.2 A 72 LEU CB C 13 42.181 0.2 A 72 LEU CD1 C 13 24.851 0.2 A 72 LEU CD2 C 13 23.233 0.2 A 72 LEU CG C 13 26.863 0.2 A 72 LEU N N 15 122.990 0.2 A 73 ASN H H 1 8.428 0.02 A 73 ASN HA H 1 4.733 0.02 A 73 ASN HBx H 1 2.698 0.02 A 73 ASN HBy H 1 2.845 0.02 A 73 ASN HD2x H 1 6.886 0.02 A 73 ASN HD2y H 1 7.585 0.02 A 73 ASN C C 13 173.774 0.2 A 73 ASN CA C 13 53.033 0.2 A 73 ASN CB C 13 38.928 0.2 A 73 ASN ND2 N 15 112.940 0.2 A 74 ASN H H 1 7.951 0.02 A 74 ASN HA H 1 4.451 0.02 A 74 ASN HBx H 1 2.666 0.02 A 74 ASN HBy H 1 2.735 0.02 A 74 ASN HD2y H 1 7.472 0.02 A 74 ASN HD2x H 1 6.756 0.02 A 74 ASN CA C 13 54.677 0.2 A 74 ASN CB C 13 40.268 0.2 A 74 ASN N N 15 124.191 0.2 A 74 ASN ND2 N 15 112.347 0.2 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 4 PRO HA A 5 ASP H 1.0 0.0 3.86 2 2 A 31 PRO HA A 32 HIS H 1.0 0.0 3.08 3 3 A 32 HIS H A 32 HIS HB2 1.0 0.0 3.33 4 3 A 32 HIS H A 32 HIS HB3 1.0 0.0 3.33 5 4 A 5 ASP H A 5 ASP HB2 1.0 0.0 4.17 6 4 A 5 ASP H A 5 ASP HB3 1.0 0.0 4.17 7 5 A 50 ILE H A 50 ILE HB 1.0 0.0 3.25 8 6 A 9 ILE H A 9 ILE HB 1.0 0.0 3.60 9 7 A 19 ALA H A 19 ALA HB% 1.0 0.0 2.98 10 8 A 9 ILE H A 9 ILE HD1% 1.0 0.0 4.44 11 9 A 9 ILE HA A 10 ARG H 1.0 0.0 3.54 12 10 A 10 ARG H A 10 ARG HBx 1.0 0.0 4.18 13 11 A 10 ARG H A 9 ILE HG2% 1.0 0.0 4.74 14 12 A 10 ARG H A 11 ALA H 1.0 0.0 4.21 15 13 A 11 ALA H A 11 ALA HB% 1.0 0.0 3.61 16 14 A 11 ALA HA A 12 LYS H 1.0 0.0 3.62 17 15 A 12 LYS H A 12 LYS HBx 1.0 0.0 4.19 18 16 A 11 ALA HB% A 12 LYS H 1.0 0.0 4.32 19 17 A 12 LYS HA A 13 LYS H 1.0 0.0 3.50 20 18 A 13 LYS H A 13 LYS HBx 1.0 0.0 4.35 21 19 A 13 LYS H A 13 LYS HGy 1.0 0.0 4.28 22 20 A 13 LYS H A 13 LYS HGx 1.0 0.0 4.28 23 21 A 13 LYS HA A 14 THR H 1.0 0.0 3.38 24 22 A 14 THR H A 17 GLN HB2 1.0 0.0 4.04 25 23 A 14 THR H A 13 LYS HBy 1.0 0.0 4.55 26 24 A 14 THR H A 17 GLN HB3 1.0 0.0 4.68 27 25 A 14 THR H A 14 THR HG2% 1.0 0.0 3.58 28 26 A 14 THR HB A 15 LYS H 1.0 0.0 3.80 29 27 A 15 LYS H A 14 THR HA 1.0 0.0 3.61 30 28 A 15 LYS H A 15 LYS HBy 1.0 0.0 4.11 31 29 A 47 LYS H A 47 LYS HB3 1.0 0.0 3.54 32 30 A 14 THR HG2% A 15 LYS H 1.0 0.0 4.57 33 31 A 14 THR HB A 16 GLU H 1.0 0.0 4.19 34 32 A 16 GLU H A 16 GLU HGy 1.0 0.0 4.76 35 33 A 16 GLU H A 16 GLU HGx 1.0 0.0 4.76 36 34 A 16 GLU H A 15 LYS HBy 1.0 0.0 4.35 37 35 A 16 GLU H A 15 LYS HBx 1.0 0.0 4.35 38 36 A 16 GLU H A 15 LYS HG2 1.0 0.0 5.29 39 36 A 16 GLU H A 15 LYS HG3 1.0 0.0 5.29 40 37 A 19 ALA HB% A 16 GLU H 1.0 0.0 5.82 41 38 A 17 GLN HG2 A 17 GLN HE22 1.0 0.0 4.15 42 39 A 17 GLN HE22 A 45 LEU HG 1.0 0.0 4.57 43 40 A 17 GLN HE22 A 45 LEU HD2% 1.0 0.0 4.03 44 41 A 16 GLU H A 17 GLN H 1.0 0.0 3.65 45 42 A 17 GLN H A 18 LEU H 1.0 0.0 3.48 46 43 A 17 GLN H A 17 GLN HG3 1.0 0.0 3.69 47 44 A 17 GLN HB2 A 17 GLN H 1.0 0.0 3.62 48 45 A 17 GLN HG2 A 17 GLN H 1.0 0.0 4.17 49 46 A 17 GLN H A 16 GLU HBy 1.0 0.0 4.55 50 47 A 17 GLN H A 16 GLU HBx 1.0 0.0 4.55 51 48 A 17 GLN HB3 A 17 GLN H 1.0 0.0 4.12 52 49 A 45 LEU HG A 17 GLN HE21 1.0 0.0 4.43 53 50 A 45 LEU HD2% A 17 GLN HE21 1.0 0.0 4.44 54 51 A 18 LEU H A 15 LYS HA 1.0 0.0 4.38 55 52 A 17 GLN HB2 A 18 LEU H 1.0 0.0 3.76 56 53 A 18 LEU H A 18 LEU HBy 1.0 0.0 3.77 57 54 A 17 GLN HB3 A 18 LEU H 1.0 0.0 3.83 58 55 A 18 LEU H A 18 LEU HD1% 1.0 0.0 4.48 59 56 A 19 ALA H A 18 LEU H 1.0 0.0 3.27 60 57 A 19 ALA H A 20 GLU H 1.0 0.0 3.52 61 58 A 20 GLU H A 21 LEU H 1.0 0.0 3.38 62 59 A 20 GLU H A 20 GLU HG2 1.0 0.0 3.67 63 60 A 20 GLU H A 20 GLU HG3 1.0 0.0 4.28 64 61 A 20 GLU H A 20 GLU HB2 1.0 0.0 3.25 65 61 A 20 GLU H A 20 GLU HB3 1.0 0.0 3.25 66 62 A 19 ALA HB% A 20 GLU H 1.0 0.0 3.50 67 63 A 20 GLU H A 21 LEU HG 1.0 0.0 5.51 68 64 A 20 GLU H A 43 THR HG2% 1.0 0.0 5.90 69 65 A 21 LEU H A 22 LYS H 1.0 0.0 3.42 70 66 A 21 LEU H A 18 LEU HA 1.0 0.0 4.18 71 67 A 21 LEU H A 20 GLU HB2 1.0 0.0 3.62 72 67 A 21 LEU H A 20 GLU HB3 1.0 0.0 3.62 73 68 A 21 LEU H A 21 LEU HG 1.0 0.0 3.32 74 69 A 21 LEU H A 18 LEU HD2% 1.0 0.0 5.58 75 70 A 21 LEU H A 39 LEU HD2% 1.0 0.0 5.92 76 71 A 21 LEU H A 21 LEU HB2 1.0 0.0 3.43 77 72 A 21 LEU H A 21 LEU HD1% 1.0 0.0 4.27 78 73 A 21 LEU H A 21 LEU HB3 1.0 0.0 4.08 79 74 A 22 LYS H A 18 LEU HA 1.0 0.0 4.81 80 75 A 30 PHE H A 31 PRO HD3 1.0 0.0 3.86 81 76 A 22 LYS H A 22 LYS HB2 1.0 0.0 3.14 82 76 A 22 LYS H A 22 LYS HB3 1.0 0.0 3.14 83 77 A 22 LYS H A 22 LYS HG2 1.0 0.0 4.70 84 78 A 30 PHE H A 29 GLN HBx 1.0 0.0 5.19 85 79 A 21 LEU HG A 22 LYS H 1.0 0.0 4.90 86 80 A 22 LYS H A 21 LEU HB2 1.0 0.0 3.76 87 81 A 22 LYS H A 21 LEU HB3 1.0 0.0 4.29 88 82 A 22 LYS H A 23 VAL H 1.0 0.0 3.58 89 83 A 23 VAL H A 20 GLU HA 1.0 0.0 4.29 90 84 A 23 VAL H A 23 VAL HB 1.0 0.0 3.27 91 85 A 23 VAL H A 22 LYS HB2 1.0 0.0 3.62 92 85 A 22 LYS HB3 A 23 VAL H 1.0 0.0 3.62 93 86 A 23 VAL H A 23 VAL HG2% 1.0 0.0 3.37 94 87 A 24 SER H A 25 TYR H 1.0 0.0 3.71 95 88 A 22 LYS H A 24 SER H 1.0 0.0 4.77 96 89 A 24 SER H A 26 LEU H 1.0 0.0 5.17 97 90 A 23 VAL H A 24 SER H 1.0 0.0 3.39 98 91 A 24 SER H A 24 SER HB3 1.0 0.0 3.53 99 92 A 24 SER H A 24 SER HB2 1.0 0.0 3.53 100 93 A 24 SER H A 21 LEU HA 1.0 0.0 4.52 101 94 A 23 VAL HB A 24 SER H 1.0 0.0 3.74 102 95 A 23 VAL HG2% A 24 SER H 1.0 0.0 4.38 103 96 A 24 SER H A 23 VAL HG1% 1.0 0.0 4.32 104 97 A 54 PHE H A 54 PHE HD% 1.0 0.0 3.83 105 98 A 23 VAL H A 25 TYR H 1.0 0.0 4.91 106 99 A 25 TYR H A 24 SER HB3 1.0 0.0 3.70 107 100 A 25 TYR H A 22 LYS HA 1.0 0.0 4.07 108 101 A 25 TYR H A 25 TYR HB3 1.0 0.0 3.69 109 102 A 25 TYR H A 26 LEU H 1.0 0.0 3.81 110 103 A 26 LEU H A 23 VAL HA 1.0 0.0 4.36 111 104 A 26 LEU H A 25 TYR HB3 1.0 0.0 3.89 112 105 A 26 LEU H A 26 LEU HG 1.0 0.0 3.12 113 106 A 26 LEU H A 26 LEU HBx 1.0 0.0 4.10 114 107 A 26 LEU H A 26 LEU HD1% 1.0 0.0 4.41 115 108 A 26 LEU H A 26 LEU HD2% 1.0 0.0 4.82 116 109 A 26 LEU H A 27 LYS H 1.0 0.0 3.42 117 110 A 27 LYS H A 26 LEU HBx 1.0 0.0 3.91 118 111 A 27 LYS H A 27 LYS HGx 1.0 0.0 5.03 119 112 A 23 VAL HG1% A 27 LYS H 1.0 0.0 5.59 120 113 A 26 LEU HD1% A 27 LYS H 1.0 0.0 6.05 121 114 A 31 PRO HA A 28 ASN HD2y 1.0 0.0 4.99 122 115 A 28 ASN H A 29 GLN H 1.0 0.0 4.63 123 116 A 27 LYS H A 28 ASN H 1.0 0.0 3.16 124 117 A 28 ASN H A 28 ASN HBy 1.0 0.0 4.29 125 118 A 28 ASN H A 28 ASN HBx 1.0 0.0 4.29 126 119 A 28 ASN H A 27 LYS HBx 1.0 0.0 4.77 127 120 A 31 PRO HA A 28 ASN HD2x 1.0 0.0 4.99 128 121 A 29 GLN H A 28 ASN HA 1.0 0.0 3.06 129 122 A 29 GLN H A 29 GLN HBy 1.0 0.0 4.43 130 123 A 29 GLN H A 29 GLN HBx 1.0 0.0 4.43 131 124 A 30 PHE H A 29 GLN H 1.0 0.0 3.45 132 125 A 30 PHE H A 28 ASN HA 1.0 0.0 4.51 133 126 A 32 HIS H A 35 GLU H 1.0 0.0 4.76 134 127 A 32 HIS H A 31 PRO HBy 1.0 0.0 4.55 135 128 A 32 HIS H A 35 GLU HBy 1.0 0.0 5.05 136 129 A 32 HIS H A 35 GLU HBx 1.0 0.0 5.05 137 130 A 32 HIS H A 31 PRO HBx 1.0 0.0 4.55 138 131 A 33 ASP H A 33 ASP HB2 1.0 0.0 4.60 139 131 A 33 ASP H A 33 ASP HB3 1.0 0.0 4.60 140 132 A 35 GLU H A 34 SER H 1.0 0.0 4.63 141 133 A 34 SER H A 34 SER HBy 1.0 0.0 4.52 142 134 A 34 SER H A 32 HIS HB2 1.0 0.0 4.77 143 134 A 32 HIS HB3 A 34 SER H 1.0 0.0 4.77 144 135 A 34 SER H A 33 ASP HB2 1.0 0.0 4.28 145 135 A 33 ASP HB3 A 34 SER H 1.0 0.0 4.28 146 136 A 35 GLU H A 36 ILE H 1.0 0.0 3.25 147 137 A 35 GLU H A 32 HIS HB2 1.0 0.0 4.32 148 137 A 32 HIS HB3 A 35 GLU H 1.0 0.0 4.32 149 138 A 35 GLU H A 35 GLU HBy 1.0 0.0 3.59 150 139 A 35 GLU H A 35 GLU HBx 1.0 0.0 3.59 151 140 A 36 ILE H A 37 ILE H 1.0 0.0 3.44 152 141 A 44 GLY H A 45 LEU H 1.0 0.0 3.50 153 142 A 36 ILE H A 33 ASP HA 1.0 0.0 4.31 154 143 A 45 LEU H A 40 MET HA 1.0 0.0 4.27 155 144 A 45 LEU H A 43 THR HB 1.0 0.0 4.69 156 145 A 36 ILE H A 36 ILE HB 1.0 0.0 3.39 157 146 A 45 LEU H A 45 LEU HB2 1.0 0.0 3.45 158 147 A 45 LEU HG A 45 LEU H 1.0 0.0 3.31 159 148 A 36 ILE H A 36 ILE HG1x 1.0 0.0 3.75 160 149 A 37 ILE H A 34 SER HA 1.0 0.0 4.43 161 150 A 37 ILE H A 36 ILE HB 1.0 0.0 3.63 162 151 A 37 ILE H A 37 ILE HB 1.0 0.0 3.20 163 152 A 37 ILE H A 37 ILE HG1y 1.0 0.0 3.85 164 153 A 37 ILE H A 37 ILE HG1x 1.0 0.0 3.85 165 154 A 37 ILE H A 36 ILE HG2% 1.0 0.0 3.81 166 155 A 38 ARG H A 39 LEU H 1.0 0.0 3.70 167 156 A 37 ILE H A 38 ARG H 1.0 0.0 3.59 168 157 A 38 ARG H A 35 GLU HA 1.0 0.0 4.24 169 158 A 38 ARG H A 38 ARG HBy 1.0 0.0 3.66 170 159 A 37 ILE HB A 38 ARG H 1.0 0.0 3.44 171 160 A 38 ARG H A 38 ARG HBx 1.0 0.0 3.66 172 161 A 38 ARG H A 38 ARG HGy 1.0 0.0 5.64 173 162 A 38 ARG H A 37 ILE HG2% 1.0 0.0 4.02 174 163 A 39 LEU H A 40 MET H 1.0 0.0 3.65 175 164 A 39 LEU H A 36 ILE HA 1.0 0.0 4.39 176 165 A 39 LEU H A 39 LEU HB2 1.0 0.0 3.47 177 166 A 39 LEU H A 39 LEU HG 1.0 0.0 3.35 178 167 A 39 LEU H A 39 LEU HB3 1.0 0.0 4.26 179 168 A 39 LEU H A 39 LEU HD1% 1.0 0.0 4.57 180 169 A 39 LEU HD2% A 39 LEU H 1.0 0.0 4.41 181 170 A 40 MET H A 37 ILE HA 1.0 0.0 4.09 182 171 A 40 MET H A 40 MET HGy 1.0 0.0 4.27 183 172 A 40 MET H A 40 MET HGx 1.0 0.0 4.27 184 173 A 40 MET H A 39 LEU HB2 1.0 0.0 3.62 185 174 A 40 MET H A 40 MET HB2 1.0 0.0 3.80 186 175 A 40 MET H A 39 LEU HB3 1.0 0.0 4.39 187 176 A 36 ILE HG2% A 40 MET H 1.0 0.0 5.14 188 177 A 37 ILE HG2% A 40 MET H 1.0 0.0 5.67 189 178 A 40 MET H A 50 ILE HD1% 1.0 0.0 4.12 190 179 A 40 MET H A 41 LYS H 1.0 0.0 3.61 191 180 A 40 MET HB2 A 41 LYS H 1.0 0.0 3.60 192 181 A 41 LYS H A 41 LYS HB2 1.0 0.0 3.00 193 181 A 41 LYS H A 41 LYS HB3 1.0 0.0 3.00 194 182 A 41 LYS H A 41 LYS HG3 1.0 0.0 3.77 195 183 A 41 LYS H A 41 LYS HG2 1.0 0.0 4.63 196 184 A 42 ILE H A 43 THR H 1.0 0.0 3.44 197 185 A 42 ILE H A 39 LEU HA 1.0 0.0 4.33 198 186 A 42 ILE H A 41 LYS HB2 1.0 0.0 3.45 199 186 A 41 LYS HB3 A 42 ILE H 1.0 0.0 3.45 200 187 A 42 ILE H A 42 ILE HB 1.0 0.0 3.40 201 188 A 42 ILE H A 42 ILE HD1% 1.0 0.0 4.50 202 189 A 43 THR H A 39 LEU HA 1.0 0.0 4.62 203 190 A 43 THR H A 42 ILE HB 1.0 0.0 3.97 204 191 A 43 THR HG2% A 43 THR H 1.0 0.0 3.54 205 192 A 43 THR H A 42 ILE HG2% 1.0 0.0 4.62 206 193 A 44 GLY H A 43 THR H 1.0 0.0 3.28 207 194 A 43 THR HG2% A 44 GLY H 1.0 0.0 4.88 208 195 A 45 LEU HD2% A 45 LEU H 1.0 0.0 4.51 209 196 A 45 LEU HA A 46 THR H 1.0 0.0 3.23 210 197 A 46 THR H A 49 GLU HB2 1.0 0.0 3.74 211 198 A 46 THR H A 49 GLU HB3 1.0 0.0 4.47 212 199 A 45 LEU HB2 A 46 THR H 1.0 0.0 4.50 213 200 A 46 THR H A 45 LEU HB3 1.0 0.0 3.25 214 201 A 45 LEU HD2% A 46 THR H 1.0 0.0 4.19 215 202 A 47 LYS H A 46 THR HB 1.0 0.0 3.40 216 203 A 47 LYS H A 46 THR HA 1.0 0.0 3.18 217 204 A 47 LYS H A 47 LYS HB2 1.0 0.0 3.35 218 205 A 47 LYS H A 46 THR HG2% 1.0 0.0 4.12 219 206 A 46 THR HB A 48 GLY H 1.0 0.0 6.05 220 207 A 47 LYS HB2 A 48 GLY H 1.0 0.0 6.05 221 208 A 47 LYS HB3 A 48 GLY H 1.0 0.0 6.05 222 209 A 46 THR HG2% A 48 GLY H 1.0 0.0 6.05 223 210 A 48 GLY H A 49 GLU H 1.0 0.0 3.85 224 211 A 50 ILE H A 49 GLU H 1.0 0.0 3.42 225 212 A 49 GLU HB2 A 49 GLU H 1.0 0.0 3.34 226 213 A 49 GLU HB3 A 49 GLU H 1.0 0.0 3.93 227 214 A 45 LEU HB3 A 49 GLU H 1.0 0.0 5.58 228 215 A 46 THR HG2% A 49 GLU H 1.0 0.0 5.87 229 216 A 50 ILE H A 49 GLU HB2 1.0 0.0 4.00 230 217 A 50 ILE H A 45 LEU HB3 1.0 0.0 4.84 231 218 A 50 ILE H A 50 ILE HG2% 1.0 0.0 4.43 232 219 A 50 ILE H A 50 ILE HD1% 1.0 0.0 4.20 233 220 A 50 ILE H A 51 LYS H 1.0 0.0 3.49 234 221 A 51 LYS H A 48 GLY HA2 1.0 0.0 4.65 235 222 A 50 ILE HB A 51 LYS H 1.0 0.0 3.47 236 223 A 51 LYS H A 51 LYS HGx 1.0 0.0 4.07 237 224 A 50 ILE HG2% A 51 LYS H 1.0 0.0 4.30 238 225 A 51 LYS H A 36 ILE HD1% 1.0 0.0 5.56 239 226 A 50 ILE HD1% A 51 LYS H 1.0 0.0 5.94 240 227 A 51 LYS H A 52 LYS H 1.0 0.0 3.59 241 228 A 48 GLY HA2 A 52 LYS H 1.0 0.0 5.12 242 229 A 52 LYS H A 50 ILE HA 1.0 0.0 5.57 243 230 A 52 LYS H A 52 LYS HB2 1.0 0.0 2.88 244 230 A 52 LYS H A 52 LYS HB3 1.0 0.0 2.88 245 231 A 52 LYS H A 52 LYS HG2 1.0 0.0 4.38 246 231 A 52 LYS H A 52 LYS HG3 1.0 0.0 4.38 247 232 A 54 PHE H A 53 TRP H 1.0 0.0 3.64 248 233 A 53 TRP H A 49 GLU HA 1.0 0.0 5.45 249 234 A 53 TRP H A 51 LYS HA 1.0 0.0 5.78 250 235 A 50 ILE HA A 53 TRP H 1.0 0.0 4.09 251 236 A 53 TRP H A 53 TRP HBy 1.0 0.0 3.51 252 237 A 53 TRP H A 53 TRP HBx 1.0 0.0 3.51 253 238 A 53 TRP H A 52 LYS HB2 1.0 0.0 3.51 254 238 A 52 LYS HB3 A 53 TRP H 1.0 0.0 3.51 255 239 A 53 TRP H A 52 LYS HG2 1.0 0.0 4.84 256 239 A 52 LYS HG3 A 53 TRP H 1.0 0.0 4.84 257 240 A 54 PHE H A 54 PHE HB2 1.0 0.0 3.53 258 241 A 55 SER H A 56 ASP H 1.0 0.0 3.63 259 242 A 54 PHE H A 55 SER H 1.0 0.0 3.71 260 243 A 55 SER H A 55 SER HB2 1.0 0.0 3.73 261 243 A 55 SER H A 55 SER HB3 1.0 0.0 3.73 262 244 A 55 SER H A 55 SER HA 1.0 0.0 3.23 263 245 A 54 PHE HB2 A 55 SER H 1.0 0.0 4.05 264 246 A 55 SER H A 54 PHE HB3 1.0 0.0 4.54 265 247 A 56 ASP H A 55 SER HB2 1.0 0.0 4.20 266 247 A 56 ASP H A 55 SER HB3 1.0 0.0 4.20 267 248 A 56 ASP H A 56 ASP HB2 1.0 0.0 3.55 268 249 A 56 ASP H A 56 ASP HB3 1.0 0.0 4.08 269 250 A 56 ASP H A 57 THR H 1.0 0.0 3.73 270 251 A 57 THR H A 58 ARG H 1.0 0.0 3.47 271 252 A 57 THR H A 54 PHE HA 1.0 0.0 4.90 272 253 A 57 THR H A 57 THR HB 1.0 0.0 3.52 273 254 A 56 ASP HB2 A 57 THR H 1.0 0.0 3.92 274 255 A 56 ASP HB3 A 57 THR H 1.0 0.0 4.38 275 256 A 57 THR H A 57 THR HG1 1.0 0.0 3.75 276 257 A 57 THR H A 57 THR HG2% 1.0 0.0 4.36 277 258 A 58 ARG H A 57 THR HB 1.0 0.0 3.86 278 259 A 58 ARG H A 58 ARG HBx 1.0 0.0 3.85 279 260 A 58 ARG H A 57 THR HG2% 1.0 0.0 4.33 280 261 A 59 TYR H A 60 ASN H 1.0 0.0 3.64 281 262 A 59 TYR H A 56 ASP HA 1.0 0.0 4.40 282 263 A 59 TYR H A 59 TYR HB2 1.0 0.0 3.43 283 264 A 59 TYR H A 58 ARG HBy 1.0 0.0 4.27 284 265 A 59 TYR H A 58 ARG HBx 1.0 0.0 4.27 285 266 A 60 ASN HD22 A 60 ASN HB2 1.0 0.0 4.24 286 266 A 60 ASN HB3 A 60 ASN HD22 1.0 0.0 4.24 287 267 A 60 ASN H A 57 THR HA 1.0 0.0 4.39 288 268 A 60 ASN H A 59 TYR HB3 1.0 0.0 3.72 289 269 A 60 ASN H A 60 ASN HB2 1.0 0.0 3.27 290 269 A 60 ASN H A 60 ASN HB3 1.0 0.0 3.27 291 270 A 60 ASN HD21 A 60 ASN HB2 1.0 0.0 3.69 292 270 A 60 ASN HB3 A 60 ASN HD21 1.0 0.0 3.69 293 271 A 60 ASN H A 61 GLN H 1.0 0.0 3.72 294 272 A 61 GLN H A 60 ASN HB2 1.0 0.0 3.95 295 272 A 60 ASN HB3 A 61 GLN H 1.0 0.0 3.95 296 273 A 61 GLN H A 61 GLN HGx 1.0 0.0 5.10 297 274 A 61 GLN H A 61 GLN HBy 1.0 0.0 3.81 298 275 A 61 GLN H A 61 GLN HBx 1.0 0.0 3.81 299 276 A 61 GLN H A 62 ARG H 1.0 0.0 3.59 300 277 A 62 ARG H A 63 ASN H 1.0 0.0 4.15 301 278 A 62 ARG H A 61 GLN HBy 1.0 0.0 4.47 302 279 A 62 ARG H A 62 ARG HB2 1.0 0.0 3.33 303 279 A 62 ARG H A 62 ARG HB3 1.0 0.0 3.33 304 280 A 62 ARG H A 62 ARG HG2 1.0 0.0 3.76 305 280 A 62 ARG H A 62 ARG HG3 1.0 0.0 3.76 306 281 A 63 ASN HA A 64 SER H 1.0 0.0 3.37 307 282 A 70 LEU H A 69 CYS HB2 1.0 0.0 4.93 308 282 A 69 CYS HB3 A 70 LEU H 1.0 0.0 4.93 309 283 A 73 ASN HA A 74 ASN H 1.0 0.0 3.72 310 284 A 12 LYS H A 12 LYS HBy 1.0 0.0 4.19 311 285 A 9 ILE H A 10 ARG H 1.0 0.0 4.41 312 286 A 10 ARG H A 10 ARG HG2 1.0 0.0 4.40 313 286 A 10 ARG H A 10 ARG HG3 1.0 0.0 4.40 314 287 A 10 ARG H A 10 ARG HBy 1.0 0.0 4.18 315 288 A 13 LYS H A 14 THR H 1.0 0.0 5.10 316 289 A 13 LYS H A 13 LYS HBy 1.0 0.0 4.35 317 290 A 14 THR H A 13 LYS HBx 1.0 0.0 4.55 318 291 A 15 LYS H A 15 LYS HBx 1.0 0.0 4.11 319 292 A 14 THR HA A 16 GLU H 1.0 0.0 5.18 320 293 A 19 ALA H A 17 GLN H 1.0 0.0 4.47 321 294 A 14 THR HB A 17 GLN H 1.0 0.0 5.04 322 295 A 14 THR HG2% A 17 GLN H 1.0 0.0 5.52 323 296 A 17 GLN H A 43 THR HG2% 1.0 0.0 6.05 324 297 A 14 THR H A 18 LEU H 1.0 0.0 5.08 325 298 A 16 GLU H A 18 LEU H 1.0 0.0 5.50 326 299 A 18 LEU H A 18 LEU HBx 1.0 0.0 3.77 327 300 A 18 LEU H A 18 LEU HD2% 1.0 0.0 5.45 328 301 A 20 GLU H A 17 GLN HA 1.0 0.0 5.02 329 302 A 23 VAL H A 23 VAL HG1% 1.0 0.0 4.29 330 303 A 24 SER H A 21 LEU HD2% 1.0 0.0 5.61 331 304 A 39 LEU HD2% A 24 SER H 1.0 0.0 4.95 332 305 A 24 SER H A 25 TYR HB3 1.0 0.0 5.16 333 306 A 25 TYR H A 53 TRP HZ3 1.0 0.0 4.75 334 307 A 25 TYR H A 27 LYS H 1.0 0.0 5.43 335 308 A 25 TYR H A 54 PHE HE% 1.0 0.0 5.85 336 309 A 26 LEU H A 25 TYR HB2 1.0 0.0 4.76 337 310 A 27 LYS H A 26 LEU HBy 1.0 0.0 3.91 338 311 A 27 LYS H A 24 SER HA 1.0 0.0 4.28 339 312 A 28 ASN H A 25 TYR HA 1.0 0.0 4.14 340 313 A 22 LYS H A 22 LYS HG3 1.0 0.0 4.69 341 314 A 30 PHE H A 29 GLN HBy 1.0 0.0 5.19 342 315 A 35 GLU H A 37 ILE H 1.0 0.0 4.92 343 316 A 35 GLU H A 33 ASP HA 1.0 0.0 5.13 344 317 A 35 GLU H A 33 ASP HB2 1.0 0.0 5.57 345 317 A 35 GLU H A 33 ASP HB3 1.0 0.0 5.57 346 318 A 36 ILE H A 36 ILE HG2% 1.0 0.0 4.41 347 319 A 36 ILE H A 36 ILE HD1% 1.0 0.0 4.84 348 320 A 45 LEU H A 45 LEU HD1% 1.0 0.0 5.10 349 321 A 36 ILE H A 36 ILE HG1y 1.0 0.0 3.75 350 322 A 37 ILE H A 37 ILE HD1% 1.0 0.0 4.51 351 323 A 38 ARG H A 38 ARG HGx 1.0 0.0 5.64 352 324 A 40 MET H A 39 LEU HG 1.0 0.0 5.43 353 325 A 41 LYS H A 43 THR H 1.0 0.0 4.73 354 326 A 44 GLY H A 42 ILE H 1.0 0.0 4.33 355 327 A 43 THR HG2% A 42 ILE H 1.0 0.0 4.91 356 328 A 39 LEU HD2% A 43 THR H 1.0 0.0 5.47 357 329 A 43 THR H A 42 ILE HD1% 1.0 0.0 5.87 358 330 A 44 GLY H A 43 THR HB 1.0 0.0 4.31 359 331 A 46 THR H A 45 LEU HD1% 1.0 0.0 5.10 360 332 A 47 LYS H A 47 LYS HD2 1.0 0.0 4.91 361 332 A 47 LYS H A 47 LYS HD3 1.0 0.0 4.91 362 333 A 47 LYS H A 49 GLU H 1.0 0.0 4.99 363 334 A 49 GLU H A 51 LYS H 1.0 0.0 5.32 364 335 A 46 THR HA A 49 GLU H 1.0 0.0 4.98 365 336 A 46 THR HB A 49 GLU H 1.0 0.0 4.90 366 337 A 50 ILE H A 46 THR H 1.0 0.0 4.55 367 338 A 50 ILE H A 50 ILE HG1x 1.0 0.0 4.22 368 339 A 50 ILE H A 50 ILE HG1y 1.0 0.0 4.22 369 340 A 36 ILE HG2% A 51 LYS H 1.0 0.0 4.95 370 341 A 51 LYS H A 51 LYS HGy 1.0 0.0 4.07 371 342 A 25 TYR H A 53 TRP HH2 1.0 0.0 5.14 372 343 A 25 TYR H A 25 TYR HB2 1.0 0.0 3.92 373 344 A 54 PHE H A 50 ILE HG2% 1.0 0.0 5.19 374 345 A 55 SER HA A 58 ARG H 1.0 0.0 4.59 375 346 A 58 ARG H A 59 TYR H 1.0 0.0 3.39 376 347 A 59 TYR H A 59 TYR HB3 1.0 0.0 3.52 377 348 A 62 ARG H A 61 GLN HGx 1.0 0.0 6.05 378 349 A 62 ARG H A 61 GLN HGy 1.0 0.0 6.05 379 350 A 62 ARG H A 61 GLN HBx 1.0 0.0 4.47 380 351 A 72 LEU H A 72 LEU HG 1.0 0.0 5.12 381 352 A 30 PHE H A 31 PRO HD2 1.0 0.0 4.99 382 353 A 41 LYS H A 38 ARG HA 1.0 0.0 4.36 383 354 A 60 ASN H A 59 TYR HB2 1.0 0.0 4.37 384 355 A 57 THR HA A 60 ASN HD21 1.0 0.0 5.03 385 356 A 34 SER H A 34 SER HBx 1.0 0.0 4.52 386 357 A 17 GLN HE21 A 43 THR HB 1.0 0.0 4.26 387 358 A 17 GLN HE22 A 43 THR HB 1.0 0.0 5.02 388 359 A 57 THR HG2% A 60 ASN H 1.0 0.0 4.96 389 360 A 58 ARG H A 58 ARG HBy 1.0 0.0 3.85 390 361 A 42 ILE HD1% A 42 ILE HA 1.0 0.0 3.86 391 362 A 37 ILE HA A 37 ILE HD1% 1.0 0.0 4.49 392 363 A 9 ILE HB A 9 ILE HD1% 1.0 0.0 3.85 393 364 A 37 ILE HB A 37 ILE HD1% 1.0 0.0 4.25 394 365 A 9 ILE HA A 9 ILE HG2% 1.0 0.0 4.06 395 366 A 36 ILE HG2% A 36 ILE HA 1.0 0.0 3.94 396 367 A 10 ARG HA A 10 ARG HD2 1.0 0.0 4.90 397 367 A 10 ARG HA A 10 ARG HD3 1.0 0.0 4.90 398 368 A 10 ARG HA A 10 ARG HG2 1.0 0.0 4.19 399 368 A 10 ARG HG3 A 10 ARG HA 1.0 0.0 4.19 400 369 A 65 LYS HA A 65 LYS HG2 1.0 0.0 4.55 401 369 A 65 LYS HA A 65 LYS HG3 1.0 0.0 4.55 402 370 A 52 LYS HE2 A 52 LYS HG2 1.0 0.0 4.08 403 370 A 52 LYS HE3 A 52 LYS HG2 1.0 0.0 4.08 404 370 A 52 LYS HG3 A 52 LYS HE2 1.0 0.0 4.08 405 370 A 52 LYS HG3 A 52 LYS HE3 1.0 0.0 4.08 406 371 A 65 LYS HE2 A 65 LYS HG2 1.0 0.0 4.06 407 371 A 65 LYS HE3 A 65 LYS HG2 1.0 0.0 4.06 408 371 A 65 LYS HG3 A 65 LYS HE2 1.0 0.0 4.06 409 371 A 65 LYS HG3 A 65 LYS HE3 1.0 0.0 4.06 410 372 A 15 LYS HA A 15 LYS HD2 1.0 0.0 4.90 411 372 A 15 LYS HA A 15 LYS HD3 1.0 0.0 4.90 412 373 A 22 LYS HA A 22 LYS HD2 1.0 0.0 5.51 413 373 A 22 LYS HA A 22 LYS HD3 1.0 0.0 5.51 414 374 A 38 ARG HA A 41 LYS HD2 1.0 0.0 5.40 415 374 A 38 ARG HA A 41 LYS HD3 1.0 0.0 5.40 416 375 A 13 LYS HA A 13 LYS HGy 1.0 0.0 4.48 417 376 A 13 LYS HA A 13 LYS HGx 1.0 0.0 4.48 418 377 A 21 LEU HD1% A 13 LYS HEx 1.0 0.0 5.16 419 378 A 18 LEU HD1% A 13 LYS HBy 1.0 0.0 5.74 420 379 A 13 LYS HA A 13 LYS HDy 1.0 0.0 5.45 421 380 A 45 LEU HD2% A 13 LYS HDy 1.0 0.0 5.90 422 381 A 21 LEU HD1% A 13 LYS HDy 1.0 0.0 5.10 423 382 A 18 LEU HD1% A 13 LYS HBx 1.0 0.0 5.74 424 383 A 13 LYS HA A 13 LYS HDx 1.0 0.0 5.45 425 384 A 45 LEU HD2% A 13 LYS HDx 1.0 0.0 5.90 426 385 A 21 LEU HD1% A 13 LYS HDx 1.0 0.0 5.10 427 386 A 14 THR HG2% A 14 THR HA 1.0 0.0 3.63 428 387 A 40 MET HA A 40 MET HGx 1.0 0.0 4.59 429 388 A 15 LYS HA A 18 LEU HBy 1.0 0.0 4.70 430 389 A 15 LYS HA A 18 LEU HD1% 1.0 0.0 4.21 431 390 A 15 LYS H A 15 LYS HG2 1.0 0.0 5.25 432 390 A 15 LYS H A 15 LYS HG3 1.0 0.0 5.25 433 391 A 19 ALA H A 16 GLU HA 1.0 0.0 4.98 434 392 A 16 GLU HA A 16 GLU HGx 1.0 0.0 4.53 435 393 A 19 ALA HB% A 16 GLU HA 1.0 0.0 3.87 436 394 A 16 GLU HA A 16 GLU HGy 1.0 0.0 4.53 437 395 A 17 GLN HG3 A 17 GLN HA 1.0 0.0 4.43 438 396 A 17 GLN HG2 A 17 GLN HA 1.0 0.0 4.20 439 397 A 17 GLN HA A 20 GLU HB2 1.0 0.0 4.84 440 397 A 20 GLU HB3 A 17 GLN HA 1.0 0.0 4.84 441 398 A 17 GLN HG3 A 43 THR HB 1.0 0.0 5.13 442 399 A 18 LEU HA A 18 LEU HG 1.0 0.0 4.42 443 400 A 18 LEU HD1% A 53 TRP HE1 1.0 0.0 4.87 444 401 A 18 LEU HD1% A 18 LEU HA 1.0 0.0 4.59 445 402 A 18 LEU HD1% A 18 LEU HBy 1.0 0.0 3.91 446 403 A 18 LEU HD2% A 53 TRP HE1 1.0 0.0 4.17 447 404 A 39 LEU HD2% A 24 SER HB3 1.0 0.0 4.62 448 405 A 70 LEU HA A 70 LEU HD2% 1.0 0.0 4.44 449 406 A 39 LEU HD2% A 24 SER HB2 1.0 0.0 3.66 450 407 A 18 LEU HA A 18 LEU HD2% 1.0 0.0 3.50 451 408 A 18 LEU H A 18 LEU HG 1.0 0.0 4.33 452 409 A 19 ALA HA A 22 LYS HB2 1.0 0.0 4.20 453 409 A 22 LYS HB3 A 19 ALA HA 1.0 0.0 4.20 454 410 A 22 LYS HG3 A 19 ALA HA 1.0 0.0 5.41 455 411 A 19 ALA HA A 22 LYS HD2 1.0 0.0 5.91 456 411 A 22 LYS HD3 A 19 ALA HA 1.0 0.0 5.91 457 412 A 20 GLU HA A 23 VAL HB 1.0 0.0 4.12 458 413 A 39 LEU HA A 42 ILE HG1x 1.0 0.0 4.76 459 414 A 43 THR HG2% A 39 LEU HA 1.0 0.0 4.68 460 415 A 39 LEU HD2% A 39 LEU HA 1.0 0.0 3.52 461 416 A 42 ILE HG2% A 20 GLU HB2 1.0 0.0 5.13 462 416 A 20 GLU HB3 A 42 ILE HG2% 1.0 0.0 5.13 463 417 A 39 LEU HD2% A 20 GLU HB2 1.0 0.0 4.61 464 417 A 20 GLU HB3 A 39 LEU HD2% 1.0 0.0 4.61 465 418 A 20 GLU HG3 A 39 LEU HD2% 1.0 0.0 4.77 466 419 A 40 MET H A 40 MET HB3 1.0 0.0 4.47 467 420 A 20 GLU HG2 A 42 ILE HG2% 1.0 0.0 4.99 468 421 A 20 GLU HG2 A 39 LEU HD2% 1.0 0.0 5.42 469 422 A 24 SER HB3 A 21 LEU HA 1.0 0.0 4.88 470 423 A 21 LEU HA A 39 LEU HD1% 1.0 0.0 5.08 471 424 A 18 LEU HA A 21 LEU HD1% 1.0 0.0 4.04 472 425 A 21 LEU HD1% A 21 LEU HB3 1.0 0.0 4.04 473 426 A 21 LEU HB2 A 21 LEU HD1% 1.0 0.0 4.55 474 427 A 21 LEU H A 21 LEU HD2% 1.0 0.0 4.75 475 428 A 21 LEU HD2% A 54 PHE HE% 1.0 0.0 4.88 476 429 A 24 SER HB2 A 21 LEU HD2% 1.0 0.0 5.58 477 430 A 43 THR HB A 21 LEU HD2% 1.0 0.0 6.05 478 431 A 50 ILE HA A 21 LEU HD2% 1.0 0.0 4.72 479 432 A 21 LEU HA A 21 LEU HD2% 1.0 0.0 3.55 480 433 A 39 LEU HD1% A 21 LEU HD2% 1.0 0.0 3.87 481 434 A 21 LEU HB3 A 21 LEU HD2% 1.0 0.0 4.06 482 435 A 21 LEU HG A 18 LEU HA 1.0 0.0 5.04 483 436 A 37 ILE HG2% A 38 ARG HA 1.0 0.0 4.73 484 437 A 18 LEU HD2% A 22 LYS HE2 1.0 0.0 4.80 485 437 A 18 LEU HD2% A 22 LYS HE3 1.0 0.0 4.80 486 438 A 62 ARG HB3 A 62 ARG HG2 1.0 0.0 2.79 487 438 A 62 ARG HB2 A 62 ARG HG2 1.0 0.0 2.79 488 438 A 62 ARG HG3 A 62 ARG HB2 1.0 0.0 2.79 489 438 A 62 ARG HB3 A 62 ARG HG3 1.0 0.0 2.79 490 439 A 23 VAL HA A 22 LYS HB2 1.0 0.0 4.24 491 439 A 22 LYS HB3 A 23 VAL HA 1.0 0.0 4.24 492 440 A 23 VAL HG1% A 23 VAL HA 1.0 0.0 3.77 493 441 A 23 VAL HA A 26 LEU HD1% 1.0 0.0 4.16 494 442 A 20 GLU HA A 23 VAL HG2% 1.0 0.0 4.08 495 443 A 23 VAL HG2% A 23 VAL HA 1.0 0.0 3.47 496 444 A 20 GLU HA A 23 VAL HG1% 1.0 0.0 5.67 497 445 A 24 SER HB2 A 23 VAL HG1% 1.0 0.0 6.05 498 446 A 23 VAL HG1% A 27 LYS HE2 1.0 0.0 4.76 499 446 A 23 VAL HG1% A 27 LYS HE3 1.0 0.0 4.76 500 447 A 54 PHE HE% A 25 TYR HA 1.0 0.0 3.95 501 448 A 25 TYR H A 24 SER HB2 1.0 0.0 5.24 502 449 A 23 VAL H A 24 SER HB2 1.0 0.0 6.04 503 450 A 24 SER HB2 A 54 PHE HZ 1.0 0.0 6.05 504 451 A 22 LYS HA A 25 TYR HB2 1.0 0.0 4.86 505 452 A 25 TYR HB3 A 53 TRP HH2 1.0 0.0 5.16 506 453 A 26 LEU HD1% A 26 LEU HA 1.0 0.0 5.00 507 454 A 26 LEU HD1% A 26 LEU HBy 1.0 0.0 3.78 508 455 A 26 LEU H A 26 LEU HBy 1.0 0.0 4.10 509 456 A 23 VAL HA A 26 LEU HBy 1.0 0.0 4.99 510 457 A 26 LEU HD2% A 26 LEU HA 1.0 0.0 3.42 511 458 A 26 LEU HD2% A 26 LEU HBy 1.0 0.0 3.83 512 459 A 26 LEU HD2% A 26 LEU HBx 1.0 0.0 3.83 513 460 A 23 VAL HA A 26 LEU HBx 1.0 0.0 4.99 514 461 A 26 LEU HD1% A 26 LEU HBx 1.0 0.0 3.78 515 462 A 27 LYS HA A 27 LYS HGy 1.0 0.0 4.49 516 463 A 27 LYS HA A 27 LYS HGx 1.0 0.0 4.49 517 464 A 52 LYS HA A 52 LYS HG2 1.0 0.0 4.51 518 464 A 52 LYS HG3 A 52 LYS HA 1.0 0.0 4.51 519 465 A 27 LYS H A 27 LYS HGy 1.0 0.0 5.03 520 466 A 41 LYS HB2 A 41 LYS HD2 1.0 0.0 3.80 521 466 A 41 LYS HB3 A 41 LYS HD2 1.0 0.0 3.80 522 466 A 41 LYS HD3 A 41 LYS HB2 1.0 0.0 3.80 523 466 A 41 LYS HB3 A 41 LYS HD3 1.0 0.0 3.80 524 467 A 54 PHE HE% A 29 GLN HA 1.0 0.0 4.74 525 468 A 25 TYR HA A 29 GLN HA 1.0 0.0 4.63 526 469 A 29 GLN HA A 29 GLN HGy 1.0 0.0 4.66 527 470 A 58 ARG HA A 58 ARG HGx 1.0 0.0 4.32 528 471 A 29 GLN H A 29 GLN HGx 1.0 0.0 4.81 529 472 A 29 GLN HA A 29 GLN HGx 1.0 0.0 4.66 530 473 A 29 GLN H A 29 GLN HGy 1.0 0.0 4.81 531 474 A 35 GLU HA A 38 ARG HBy 1.0 0.0 5.00 532 475 A 54 PHE HE% A 31 PRO HD2 1.0 0.0 5.26 533 476 A 31 PRO HD2 A 30 PHE HA 1.0 0.0 3.82 534 477 A 31 PRO HD3 A 54 PHE HD% 1.0 0.0 5.06 535 478 A 31 PRO HD3 A 54 PHE HE% 1.0 0.0 5.03 536 479 A 31 PRO HD3 A 30 PHE HA 1.0 0.0 4.16 537 480 A 33 ASP H A 32 HIS HB2 1.0 0.0 5.19 538 480 A 32 HIS HB3 A 33 ASP H 1.0 0.0 5.19 539 481 A 33 ASP HA A 36 ILE HB 1.0 0.0 3.93 540 482 A 33 ASP HA A 36 ILE HG1y 1.0 0.0 4.95 541 483 A 33 ASP HA A 36 ILE HG1x 1.0 0.0 4.95 542 484 A 37 ILE HD1% A 33 ASP HB2 1.0 0.0 4.81 543 484 A 33 ASP HB3 A 37 ILE HD1% 1.0 0.0 4.81 544 485 A 22 LYS HA A 25 TYR HB3 1.0 0.0 4.38 545 486 A 35 GLU HA A 38 ARG HBx 1.0 0.0 5.00 546 487 A 39 LEU HD1% A 35 GLU HGy 1.0 0.0 5.12 547 488 A 36 ILE HA A 39 LEU HB2 1.0 0.0 4.73 548 489 A 36 ILE HA A 39 LEU HD1% 1.0 0.0 3.84 549 490 A 33 ASP HA A 36 ILE HD1% 1.0 0.0 4.33 550 491 A 36 ILE HD1% A 51 LYS HA 1.0 0.0 4.83 551 492 A 36 ILE HA A 36 ILE HD1% 1.0 0.0 4.14 552 493 A 36 ILE HB A 36 ILE HD1% 1.0 0.0 4.20 553 494 A 50 ILE HG2% A 36 ILE HD1% 1.0 0.0 4.11 554 495 A 42 ILE HG2% A 42 ILE HA 1.0 0.0 3.66 555 496 A 36 ILE HG2% A 50 ILE HG2% 1.0 0.0 3.65 556 497 A 34 SER HA A 37 ILE HB 1.0 0.0 4.39 557 498 A 37 ILE HA A 40 MET HB2 1.0 0.0 4.14 558 499 A 37 ILE HA A 37 ILE HG1y 1.0 0.0 4.32 559 500 A 37 ILE HA A 37 ILE HG1x 1.0 0.0 4.32 560 501 A 37 ILE HG2% A 37 ILE HA 1.0 0.0 3.78 561 502 A 37 ILE H A 37 ILE HG2% 1.0 0.0 4.74 562 503 A 42 ILE H A 42 ILE HG2% 1.0 0.0 4.20 563 504 A 42 ILE HG2% A 43 THR HA 1.0 0.0 4.75 564 505 A 20 GLU HG3 A 42 ILE HG2% 1.0 0.0 4.42 565 506 A 37 ILE HG2% A 37 ILE HG1x 1.0 0.0 4.27 566 507 A 45 LEU HD2% A 45 LEU HA 1.0 0.0 3.49 567 508 A 45 LEU HD2% A 45 LEU HB3 1.0 0.0 3.54 568 509 A 39 LEU HB2 A 21 LEU HD2% 1.0 0.0 5.39 569 510 A 21 LEU HA A 39 LEU HB3 1.0 0.0 6.05 570 511 A 36 ILE HA A 39 LEU HB3 1.0 0.0 6.05 571 512 A 39 LEU HB3 A 50 ILE HD1% 1.0 0.0 4.49 572 513 A 24 SER HB3 A 39 LEU HD1% 1.0 0.0 5.03 573 514 A 24 SER HB2 A 39 LEU HD1% 1.0 0.0 4.77 574 515 A 39 LEU HB2 A 39 LEU HD1% 1.0 0.0 4.12 575 516 A 41 LYS H A 40 MET HB3 1.0 0.0 4.44 576 517 A 36 ILE HG2% A 40 MET HGx 1.0 0.0 5.09 577 518 A 47 LYS H A 40 MET HE% 1.0 0.0 3.97 578 519 A 46 THR HA A 40 MET HE% 1.0 0.0 4.20 579 520 A 37 ILE HA A 40 MET HE% 1.0 0.0 4.58 580 521 A 40 MET HE% A 40 MET HGy 1.0 0.0 4.14 581 522 A 40 MET HE% A 40 MET HGx 1.0 0.0 4.14 582 523 A 40 MET HA A 40 MET HGy 1.0 0.0 4.59 583 524 A 49 GLU HA A 49 GLU HG2 1.0 0.0 3.76 584 524 A 49 GLU HA A 49 GLU HG3 1.0 0.0 3.76 585 525 A 39 LEU HA A 42 ILE HB 1.0 0.0 4.75 586 526 A 39 LEU HA A 42 ILE HG1y 1.0 0.0 4.76 587 527 A 17 GLN HG2 A 43 THR HB 1.0 0.0 4.33 588 528 A 45 LEU HG A 43 THR HB 1.0 0.0 4.12 589 529 A 43 THR HB A 45 LEU HD1% 1.0 0.0 4.46 590 530 A 17 GLN HG2 A 43 THR HA 1.0 0.0 4.93 591 531 A 43 THR HG2% A 43 THR HA 1.0 0.0 3.61 592 532 A 17 GLN HE21 A 43 THR HG2% 1.0 0.0 5.23 593 533 A 43 THR HG2% A 45 LEU H 1.0 0.0 5.95 594 534 A 43 THR HG2% A 17 GLN HA 1.0 0.0 4.15 595 535 A 17 GLN HG2 A 43 THR HG2% 1.0 0.0 4.41 596 536 A 43 THR HG2% A 20 GLU HB2 1.0 0.0 3.96 597 536 A 20 GLU HB3 A 43 THR HG2% 1.0 0.0 3.96 598 537 A 43 THR HG2% A 42 ILE HB 1.0 0.0 4.47 599 538 A 43 THR HG2% A 21 LEU HD1% 1.0 0.0 4.88 600 539 A 17 GLN HE21 A 45 LEU HD1% 1.0 0.0 5.60 601 540 A 49 GLU HB3 A 45 LEU HD1% 1.0 0.0 5.19 602 541 A 45 LEU HB2 A 45 LEU HD1% 1.0 0.0 4.15 603 542 A 21 LEU HD1% A 45 LEU HD1% 1.0 0.0 4.04 604 543 A 45 LEU HB2 A 50 ILE HG1y 1.0 0.0 5.39 605 544 A 45 LEU HB2 A 50 ILE HG1x 1.0 0.0 5.39 606 545 A 49 GLU HB3 A 45 LEU HB3 1.0 0.0 4.82 607 546 A 45 LEU HB3 A 45 LEU HD1% 1.0 0.0 4.35 608 547 A 36 ILE HD1% A 51 LYS HGx 1.0 0.0 4.71 609 548 A 46 THR H A 46 THR HG2% 1.0 0.0 3.64 610 549 A 45 LEU HA A 46 THR HG2% 1.0 0.0 4.93 611 550 A 46 THR HA A 46 THR HG2% 1.0 0.0 3.62 612 551 A 50 ILE H A 47 LYS HA 1.0 0.0 5.08 613 552 A 47 LYS HA A 40 MET HGx 1.0 0.0 5.50 614 553 A 50 ILE HB A 47 LYS HA 1.0 0.0 4.36 615 554 A 50 ILE HD1% A 47 LYS HA 1.0 0.0 4.50 616 555 A 36 ILE HD1% A 47 LYS HE2 1.0 0.0 4.92 617 555 A 36 ILE HD1% A 47 LYS HE3 1.0 0.0 4.92 618 556 A 47 LYS H A 48 GLY HA3 1.0 0.0 6.05 619 557 A 51 LYS H A 48 GLY HA3 1.0 0.0 6.05 620 558 A 47 LYS HB3 A 48 GLY HA3 1.0 0.0 5.79 621 559 A 48 GLY HA2 A 51 LYS HBx 1.0 0.0 5.31 622 560 A 52 LYS H A 49 GLU HA 1.0 0.0 5.26 623 561 A 49 GLU HA A 52 LYS HB2 1.0 0.0 4.32 624 561 A 52 LYS HB3 A 49 GLU HA 1.0 0.0 4.32 625 562 A 45 LEU HB3 A 49 GLU HA 1.0 0.0 6.05 626 563 A 49 GLU HA A 52 LYS HG2 1.0 0.0 6.05 627 563 A 52 LYS HG3 A 49 GLU HA 1.0 0.0 6.05 628 564 A 46 THR H A 49 GLU HG2 1.0 0.0 5.45 629 564 A 46 THR H A 49 GLU HG3 1.0 0.0 5.45 630 565 A 49 GLU H A 49 GLU HG2 1.0 0.0 4.65 631 565 A 49 GLU H A 49 GLU HG3 1.0 0.0 4.65 632 566 A 49 GLU HB2 A 45 LEU HB3 1.0 0.0 4.91 633 567 A 45 LEU HD2% A 49 GLU HB2 1.0 0.0 5.70 634 568 A 50 ILE HA A 50 ILE HG1y 1.0 0.0 4.26 635 569 A 50 ILE HG2% A 50 ILE HA 1.0 0.0 3.93 636 570 A 50 ILE HA A 50 ILE HG1x 1.0 0.0 4.26 637 571 A 50 ILE HA A 45 LEU HD1% 1.0 0.0 5.28 638 572 A 40 MET HA A 50 ILE HD1% 1.0 0.0 3.84 639 573 A 50 ILE HD1% A 50 ILE HA 1.0 0.0 5.45 640 574 A 50 ILE HD1% A 40 MET HGy 1.0 0.0 4.17 641 575 A 50 ILE HD1% A 40 MET HGx 1.0 0.0 4.17 642 576 A 39 LEU HB2 A 50 ILE HD1% 1.0 0.0 3.96 643 577 A 45 LEU HB2 A 50 ILE HD1% 1.0 0.0 4.09 644 578 A 50 ILE HD1% A 50 ILE HG2% 1.0 0.0 3.39 645 579 A 50 ILE HG2% A 54 PHE HE% 1.0 0.0 4.25 646 580 A 50 ILE HG2% A 51 LYS HA 1.0 0.0 5.02 647 581 A 39 LEU HB2 A 50 ILE HG2% 1.0 0.0 4.80 648 582 A 54 PHE HD% A 51 LYS HA 1.0 0.0 5.24 649 583 A 51 LYS HA A 51 LYS HGy 1.0 0.0 4.38 650 584 A 51 LYS HA A 51 LYS HGx 1.0 0.0 4.38 651 585 A 27 LYS HA A 27 LYS HD2 1.0 0.0 4.80 652 585 A 27 LYS HA A 27 LYS HD3 1.0 0.0 4.80 653 586 A 56 ASP HB2 A 53 TRP HA 1.0 0.0 4.49 654 587 A 54 PHE HA A 57 THR HB 1.0 0.0 4.46 655 588 A 54 PHE HA A 57 THR HG1 1.0 0.0 5.32 656 589 A 51 LYS HA A 54 PHE HB2 1.0 0.0 4.81 657 590 A 51 LYS HA A 54 PHE HB3 1.0 0.0 5.49 658 591 A 55 SER HA A 54 PHE HB3 1.0 0.0 5.82 659 592 A 56 ASP HA A 59 TYR HB3 1.0 0.0 4.39 660 593 A 56 ASP HB3 A 53 TRP HA 1.0 0.0 5.07 661 594 A 57 THR HG2% A 57 THR HA 1.0 0.0 3.86 662 595 A 58 ARG HA A 58 ARG HGy 1.0 0.0 4.32 663 596 A 57 THR HG2% A 58 ARG HA 1.0 0.0 5.21 664 597 A 56 ASP HA A 59 TYR HB2 1.0 0.0 4.69 665 598 A 57 THR HA A 60 ASN HB2 1.0 0.0 4.46 666 598 A 60 ASN HB3 A 57 THR HA 1.0 0.0 4.46 667 599 A 61 GLN H A 61 GLN HGy 1.0 0.0 5.10 668 600 A 62 ARG HA A 62 ARG HG2 1.0 0.0 4.09 669 600 A 62 ARG HG3 A 62 ARG HA 1.0 0.0 4.09 670 601 A 62 ARG HB2 A 62 ARG HD2 1.0 0.0 4.22 671 601 A 62 ARG HB3 A 62 ARG HD2 1.0 0.0 4.22 672 601 A 62 ARG HD3 A 62 ARG HB2 1.0 0.0 4.22 673 601 A 62 ARG HB3 A 62 ARG HD3 1.0 0.0 4.22 674 602 A 70 LEU HA A 70 LEU HD1% 1.0 0.0 4.74 675 603 A 72 LEU HG A 72 LEU HA 1.0 0.0 4.30 676 604 A 72 LEU HA A 72 LEU HD2% 1.0 0.0 4.49 677 605 A 15 LYS HA A 15 LYS HG2 1.0 0.0 4.08 678 605 A 15 LYS HG3 A 15 LYS HA 1.0 0.0 4.08 679 606 A 37 ILE HG2% A 41 LYS HE2 1.0 0.0 4.05 680 606 A 37 ILE HG2% A 41 LYS HE3 1.0 0.0 4.05 681 607 A 28 ASN H A 27 LYS HBy 1.0 0.0 4.77 682 608 A 20 GLU HG2 A 20 GLU HA 1.0 0.0 4.49 683 609 A 27 LYS HD3 A 27 LYS HBx 1.0 0.0 3.91 684 609 A 27 LYS HBx A 27 LYS HD2 1.0 0.0 3.91 685 610 A 27 LYS HD3 A 27 LYS HBy 1.0 0.0 3.91 686 610 A 27 LYS HBy A 27 LYS HD2 1.0 0.0 3.91 687 611 A 24 SER HA A 27 LYS HD2 1.0 0.0 5.24 688 611 A 24 SER HA A 27 LYS HD3 1.0 0.0 5.24 689 612 A 34 SER HA A 33 ASP HB2 1.0 0.0 5.37 690 612 A 33 ASP HB3 A 34 SER HA 1.0 0.0 5.37 691 613 A 37 ILE HG2% A 37 ILE HG1y 1.0 0.0 4.27 692 614 A 37 ILE HG2% A 41 LYS HG3 1.0 0.0 4.60 693 615 A 41 LYS H A 40 MET HE% 1.0 0.0 5.03 694 616 A 45 LEU H A 50 ILE HD1% 1.0 0.0 5.05 695 617 A 50 ILE HD1% A 45 LEU HB3 1.0 0.0 4.94 696 618 A 45 LEU HG A 50 ILE HD1% 1.0 0.0 5.54 697 619 A 50 ILE HB A 50 ILE HD1% 1.0 0.0 3.88 698 620 A 9 ILE H A 9 ILE HG2% 1.0 0.0 5.48 699 621 A 18 LEU HD1% A 18 LEU HBx 1.0 0.0 3.91 700 622 A 21 LEU HG A 21 LEU HA 1.0 0.0 4.51 701 623 A 45 LEU HA A 45 LEU HD1% 1.0 0.0 5.38 702 624 A 41 LYS HG2 A 41 LYS HA 1.0 0.0 4.31 703 625 A 36 ILE HG2% A 36 ILE HD1% 1.0 0.0 3.38 704 626 A 56 ASP HA A 59 TYR HD% 1.0 0.0 5.72 705 627 A 54 PHE HA A 53 TRP HZ3 1.0 0.0 5.48 706 628 A 50 ILE HA A 53 TRP HBy 1.0 0.0 4.61 707 629 A 50 ILE HA A 53 TRP HBx 1.0 0.0 4.61 708 630 A 48 GLY HA2 A 51 LYS HBy 1.0 0.0 5.31 709 631 A 47 LYS HB3 A 48 GLY HA2 1.0 0.0 5.86 710 632 A 47 LYS HA A 40 MET HGy 1.0 0.0 5.50 711 633 A 49 GLU HB2 A 46 THR HG2% 1.0 0.0 5.19 712 634 A 46 THR HG2% A 49 GLU HG2 1.0 0.0 5.73 713 634 A 46 THR HG2% A 49 GLU HG3 1.0 0.0 5.73 714 635 A 45 LEU HA A 49 GLU HB2 1.0 0.0 5.26 715 636 A 38 ARG HA A 41 LYS HB2 1.0 0.0 4.11 716 636 A 41 LYS HB3 A 38 ARG HA 1.0 0.0 4.11 717 637 A 54 PHE HD% A 36 ILE HD1% 1.0 0.0 5.40 718 638 A 37 ILE H A 36 ILE HD1% 1.0 0.0 5.47 719 639 A 31 PRO HD2 A 30 PHE HD% 1.0 0.0 6.03 720 640 A 29 GLN HA A 25 TYR HE% 1.0 0.0 5.59 721 641 A 21 LEU HD2% A 20 GLU HB2 1.0 0.0 5.15 722 641 A 20 GLU HB3 A 21 LEU HD2% 1.0 0.0 5.15 723 642 A 21 LEU HD1% A 53 TRP HE1 1.0 0.0 5.52 724 643 A 18 LEU HA A 21 LEU HB2 1.0 0.0 4.27 725 644 A 45 LEU HD1% A 13 LYS HDy 1.0 0.0 5.61 726 645 A 45 LEU HD1% A 13 LYS HDx 1.0 0.0 5.61 727 646 A 54 PHE HD% A 25 TYR HA 1.0 0.0 5.73 728 647 A 40 MET H A 40 MET HE% 1.0 0.0 5.47 729 648 A 40 MET HE% A 47 LYS HA 1.0 0.0 4.95 730 649 A 36 ILE HG2% A 47 LYS HA 1.0 0.0 4.12 731 650 A 37 ILE HD1% A 47 LYS HE2 1.0 0.0 4.72 732 650 A 37 ILE HD1% A 47 LYS HE3 1.0 0.0 4.72 733 651 A 15 LYS HA A 18 LEU HBx 1.0 0.0 4.70 734 652 A 21 LEU HD1% A 13 LYS HEy 1.0 0.0 5.16 735 653 A 36 ILE HG2% A 47 LYS HE2 1.0 0.0 4.59 736 653 A 36 ILE HG2% A 47 LYS HE3 1.0 0.0 4.59 737 654 A 17 GLN HA A 43 THR HA 1.0 0.0 5.19 738 655 A 17 GLN HB2 A 45 LEU HD1% 1.0 0.0 5.62 739 656 A 18 LEU HA A 21 LEU HB3 1.0 0.0 5.16 740 657 A 18 LEU HD1% A 53 TRP HZ2 1.0 0.0 5.35 741 658 A 70 LEU H A 70 LEU HD1% 1.0 0.0 6.05 742 659 A 18 LEU HD2% A 53 TRP HD1 1.0 0.0 4.98 743 660 A 70 LEU H A 70 LEU HD2% 1.0 0.0 6.05 744 661 A 20 GLU HG2 A 43 THR HG2% 1.0 0.0 5.37 745 662 A 54 PHE HD% A 21 LEU HD2% 1.0 0.0 5.39 746 663 A 53 TRP HZ2 A 22 LYS HE2 1.0 0.0 5.30 747 663 A 22 LYS HE3 A 53 TRP HZ2 1.0 0.0 5.30 748 664 A 39 LEU H A 35 GLU HA 1.0 0.0 5.57 749 665 A 38 ARG H A 37 ILE HD1% 1.0 0.0 5.19 750 666 A 39 LEU HB3 A 21 LEU HD2% 1.0 0.0 5.36 751 667 A 39 LEU HD1% A 35 GLU HGx 1.0 0.0 5.12 752 668 A 17 GLN HE21 A 43 THR HA 1.0 0.0 5.21 753 669 A 47 LYS HB2 A 47 LYS HE2 1.0 0.0 5.29 754 669 A 47 LYS HB2 A 47 LYS HE3 1.0 0.0 5.29 755 670 A 47 LYS HB3 A 47 LYS HE2 1.0 0.0 5.47 756 670 A 47 LYS HB3 A 47 LYS HE3 1.0 0.0 5.47 757 671 A 50 ILE HA A 53 TRP HE3 1.0 0.0 5.48 758 672 A 63 ASN HA A 62 ARG HG2 1.0 0.0 5.68 759 672 A 62 ARG HG3 A 63 ASN HA 1.0 0.0 5.68 760 673 A 66 SER H A 65 LYS HG2 1.0 0.0 6.05 761 673 A 65 LYS HG3 A 66 SER H 1.0 0.0 6.05 762 674 A 18 LEU HD2% A 57 THR HG2% 1.0 0.0 5.41 763 675 A 22 LYS HB3 A 22 LYS HE2 1.0 0.0 6.05 764 675 A 22 LYS HB2 A 22 LYS HE2 1.0 0.0 6.05 765 675 A 22 LYS HE3 A 22 LYS HB2 1.0 0.0 6.05 766 675 A 22 LYS HB3 A 22 LYS HE3 1.0 0.0 6.05 767 676 A 14 THR HA A 17 GLN H 1.0 0.0 5.58 768 677 A 19 ALA HB% A 20 GLU HG2 1.0 0.0 5.21 769 678 A 19 ALA HB% A 20 GLU HG3 1.0 0.0 5.94 770 679 A 24 SER HB2 A 21 LEU HA 1.0 0.0 4.93 771 680 A 23 VAL HG2% A 22 LYS HB2 1.0 0.0 4.65 772 680 A 22 LYS HB3 A 23 VAL HG2% 1.0 0.0 4.65 773 681 A 19 ALA HB% A 23 VAL HG2% 1.0 0.0 4.50 774 682 A 23 VAL HG1% A 24 SER HA 1.0 0.0 5.31 775 683 A 39 LEU HD1% A 24 SER HA 1.0 0.0 5.37 776 684 A 31 PRO HD3 A 29 GLN HA 1.0 0.0 5.69 777 685 A 31 PRO HA A 32 HIS HB2 1.0 0.0 5.88 778 685 A 31 PRO HA A 32 HIS HB3 1.0 0.0 5.88 779 686 A 36 ILE HD1% A 47 LYS HD2 1.0 0.0 4.90 780 686 A 36 ILE HD1% A 47 LYS HD3 1.0 0.0 4.90 781 687 A 36 ILE HD1% A 51 LYS HD2 1.0 0.0 5.26 782 687 A 36 ILE HD1% A 51 LYS HD3 1.0 0.0 5.26 783 688 A 50 ILE HB A 36 ILE HD1% 1.0 0.0 4.88 784 689 A 36 ILE HD1% A 51 LYS HGy 1.0 0.0 4.71 785 690 A 36 ILE HG2% A 40 MET HGy 1.0 0.0 5.09 786 691 A 33 ASP HA A 36 ILE HG2% 1.0 0.0 5.13 787 692 A 37 ILE HD1% A 40 MET HE% 1.0 0.0 4.80 788 693 A 39 LEU HD2% A 39 LEU HB3 1.0 0.0 3.69 789 694 A 18 LEU HD2% A 21 LEU HD1% 1.0 0.0 4.03 790 695 A 40 MET HA A 43 THR H 1.0 0.0 5.63 791 696 A 40 MET HE% A 47 LYS HE2 1.0 0.0 4.68 792 696 A 40 MET HE% A 47 LYS HE3 1.0 0.0 4.68 793 697 A 37 ILE HG2% A 40 MET HE% 1.0 0.0 4.26 794 698 A 40 MET HE% A 37 ILE HG1x 1.0 0.0 5.48 795 699 A 46 THR HG2% A 40 MET HE% 1.0 0.0 5.64 796 700 A 40 MET HE% A 37 ILE HG1y 1.0 0.0 5.48 797 701 A 40 MET HE% A 47 LYS HD2 1.0 0.0 5.90 798 701 A 47 LYS HD3 A 40 MET HE% 1.0 0.0 5.90 799 702 A 43 THR HG2% A 42 ILE HG2% 1.0 0.0 3.97 800 703 A 20 GLU HG3 A 43 THR HG2% 1.0 0.0 4.74 801 704 A 43 THR HG2% A 21 LEU HD2% 1.0 0.0 4.33 802 705 A 43 THR HG2% A 45 LEU HD1% 1.0 0.0 4.57 803 706 A 43 THR HG2% A 39 LEU HD2% 1.0 0.0 4.10 804 707 A 45 LEU HD2% A 49 GLU HG2 1.0 0.0 4.87 805 707 A 45 LEU HD2% A 49 GLU HG3 1.0 0.0 4.87 806 708 A 45 LEU HD2% A 45 LEU HB2 1.0 0.0 4.24 807 709 A 45 LEU HB3 A 49 GLU HG2 1.0 0.0 5.78 808 709 A 45 LEU HB3 A 49 GLU HG3 1.0 0.0 5.78 809 710 A 50 ILE HG2% A 21 LEU HD2% 1.0 0.0 3.78 810 711 A 57 THR HG2% A 61 GLN H 1.0 0.0 6.05 811 712 A 57 THR HG2% A 22 LYS HG3 1.0 0.0 6.05 812 713 A 57 THR HG2% A 61 GLN HGx 1.0 0.0 5.29 813 714 A 57 THR HG2% A 61 GLN HGy 1.0 0.0 5.29 814 715 A 63 ASN H A 62 ARG HB2 1.0 0.0 5.27 815 715 A 63 ASN H A 62 ARG HB3 1.0 0.0 5.27 816 716 A 62 ARG HA A 62 ARG HD2 1.0 0.0 5.20 817 716 A 62 ARG HA A 62 ARG HD3 1.0 0.0 5.20 818 717 A 72 LEU HA A 72 LEU HD1% 1.0 0.0 5.27 819 718 A 18 LEU HD1% A 21 LEU HD1% 1.0 0.0 5.36 820 719 A 7 PHE HA A 7 PHE HD% 1.0 0.0 4.36 821 720 A 58 ARG H A 25 TYR HE% 1.0 0.0 4.17 822 721 A 58 ARG HA A 25 TYR HE% 1.0 0.0 4.16 823 722 A 57 THR HB A 25 TYR HE% 1.0 0.0 4.17 824 723 A 25 TYR HE% A 29 GLN HBy 1.0 0.0 4.17 825 724 A 57 THR HG2% A 25 TYR HE% 1.0 0.0 3.51 826 725 A 26 LEU H A 25 TYR HD% 1.0 0.0 3.91 827 726 A 54 PHE HD% A 25 TYR HD% 1.0 0.0 3.54 828 727 A 54 PHE HE% A 25 TYR HD% 1.0 0.0 3.64 829 728 A 53 TRP HZ3 A 25 TYR HD% 1.0 0.0 3.82 830 729 A 25 TYR HA A 25 TYR HD% 1.0 0.0 3.74 831 730 A 26 LEU HA A 25 TYR HD% 1.0 0.0 4.09 832 731 A 29 GLN HA A 25 TYR HD% 1.0 0.0 4.16 833 732 A 26 LEU HG A 25 TYR HD% 1.0 0.0 4.40 834 733 A 26 LEU HD2% A 25 TYR HD% 1.0 0.0 3.85 835 734 A 57 THR HG2% A 25 TYR HD% 1.0 0.0 4.05 836 735 A 29 GLN H A 30 PHE HD% 1.0 0.0 4.15 837 736 A 30 PHE H A 30 PHE HD% 1.0 0.0 3.74 838 737 A 32 HIS HA A 32 HIS HD2 1.0 0.0 4.19 839 738 A 32 HIS HD2 A 32 HIS HB2 1.0 0.0 3.82 840 738 A 32 HIS HB3 A 32 HIS HD2 1.0 0.0 3.82 841 739 A 54 PHE H A 53 TRP HE3 1.0 0.0 4.33 842 740 A 54 PHE HD% A 53 TRP HE3 1.0 0.0 4.25 843 741 A 54 PHE HA A 53 TRP HE3 1.0 0.0 4.00 844 742 A 21 LEU HD2% A 53 TRP HE3 1.0 0.0 4.28 845 743 A 22 LYS HA A 53 TRP HZ2 1.0 0.0 4.35 846 744 A 22 LYS HG3 A 53 TRP HZ2 1.0 0.0 4.44 847 745 A 22 LYS HG2 A 53 TRP HZ2 1.0 0.0 3.96 848 746 A 18 LEU HD2% A 53 TRP HZ2 1.0 0.0 3.99 849 747 A 57 THR HG2% A 53 TRP HZ2 1.0 0.0 4.25 850 748 A 53 TRP HA A 53 TRP HD1 1.0 0.0 3.99 851 749 A 18 LEU HG A 53 TRP HD1 1.0 0.0 6.05 852 750 A 18 LEU HD1% A 53 TRP HD1 1.0 0.0 5.50 853 751 A 53 TRP HZ3 A 25 TYR HB2 1.0 0.0 3.92 854 752 A 22 LYS HA A 53 TRP HH2 1.0 0.0 3.39 855 753 A 25 TYR HB2 A 53 TRP HH2 1.0 0.0 3.92 856 754 A 22 LYS HG2 A 53 TRP HH2 1.0 0.0 4.50 857 755 A 57 THR HG2% A 53 TRP HH2 1.0 0.0 4.25 858 756 A 54 PHE HD% A 29 GLN HA 1.0 0.0 4.55 859 757 A 54 PHE HD% A 54 PHE HA 1.0 0.0 4.24 860 758 A 54 PHE HD% A 50 ILE HG2% 1.0 0.0 3.63 861 759 A 60 ASN H A 59 TYR HD% 1.0 0.0 3.87 862 760 A 59 TYR HD% A 60 ASN HA 1.0 0.0 3.91 863 761 A 59 TYR HD% A 59 TYR HA 1.0 0.0 3.53 864 762 A 54 PHE HD% A 25 TYR HE% 1.0 0.0 4.26 865 763 A 25 TYR H A 25 TYR HD% 1.0 0.0 4.46 866 764 A 21 LEU HB3 A 53 TRP HZ3 1.0 0.0 4.69 867 765 A 54 PHE HE% A 25 TYR HB2 1.0 0.0 4.69 868 766 A 21 LEU HB3 A 53 TRP HH2 1.0 0.0 4.82 869 767 A 22 LYS HG3 A 53 TRP HH2 1.0 0.0 5.56 870 768 A 53 TRP HH2 A 22 LYS HD2 1.0 0.0 6.05 871 768 A 53 TRP HH2 A 22 LYS HD3 1.0 0.0 6.05 872 769 A 53 TRP HH2 A 22 LYS HB2 1.0 0.0 4.93 873 769 A 22 LYS HB3 A 53 TRP HH2 1.0 0.0 4.93 874 770 A 21 LEU HB3 A 53 TRP HZ2 1.0 0.0 4.71 875 771 A 25 TYR HB3 A 53 TRP HZ3 1.0 0.0 4.19 876 772 A 54 PHE HA A 25 TYR HD% 1.0 0.0 4.65 877 773 A 25 TYR HE% A 29 GLN HBx 1.0 0.0 4.17 878 774 A 59 TYR H A 59 TYR HD% 1.0 0.0 4.82 879 775 A 53 TRP HZ2 A 22 LYS HB2 1.0 0.0 4.95 880 775 A 22 LYS HB3 A 53 TRP HZ2 1.0 0.0 4.95 881 776 A 60 ASN HA A 59 TYR HE% 1.0 0.0 4.61 882 777 A 21 LEU HD1% A 53 TRP HD1 1.0 0.0 4.71 883 778 A 39 LEU HD1% A 54 PHE HE% 1.0 0.0 4.15 884 779 A 26 LEU HD2% A 25 TYR HE% 1.0 0.0 4.80 885 780 A 39 LEU HD1% A 54 PHE HZ 1.0 0.0 4.14 886 781 A 24 SER HB3 A 54 PHE HZ 1.0 0.0 4.43 887 782 A 9 ILE H A 9 ILE HG1x 1.0 0.0 4.00 888 782 A 9 ILE H A 9 ILE HG1y 1.0 0.0 4.00 889 783 A 9 ILE HA A 9 ILE HG1x 1.0 0.0 4.09 890 783 A 9 ILE HA A 9 ILE HG1y 1.0 0.0 4.09 891 784 A 10 ARG H A 10 ARG HBy 1.0 0.0 3.66 892 784 A 10 ARG H A 10 ARG HBx 1.0 0.0 3.66 893 785 A 12 LYS H A 12 LYS HBy 1.0 0.0 3.58 894 785 A 12 LYS H A 12 LYS HBx 1.0 0.0 3.58 895 786 A 12 LYS H A 12 LYS HGy 1.0 0.0 4.62 896 786 A 12 LYS H A 12 LYS HGx 1.0 0.0 4.62 897 787 A 13 LYS H A 12 LYS HBy 1.0 0.0 4.65 898 787 A 13 LYS H A 12 LYS HBx 1.0 0.0 4.65 899 788 A 13 LYS H A 13 LYS HGy 1.0 0.0 3.59 900 788 A 13 LYS H A 13 LYS HGx 1.0 0.0 3.59 901 789 A 13 LYS HA A 13 LYS HGy 1.0 0.0 3.88 902 789 A 13 LYS HA A 13 LYS HGx 1.0 0.0 3.88 903 790 A 13 LYS HA A 13 LYS HDx 1.0 0.0 4.76 904 790 A 13 LYS HA A 13 LYS HDy 1.0 0.0 4.76 905 791 A 13 LYS HBx A 13 LYS HDx 1.0 0.0 2.60 906 791 A 13 LYS HBy A 13 LYS HDx 1.0 0.0 2.60 907 791 A 13 LYS HDy A 13 LYS HBy 1.0 0.0 2.60 908 791 A 13 LYS HDy A 13 LYS HBx 1.0 0.0 2.60 909 792 A 14 THR H A 13 LYS HBy 1.0 0.0 3.81 910 792 A 14 THR H A 13 LYS HBx 1.0 0.0 3.81 911 793 A 18 LEU HD1% A 13 LYS HBy 1.0 0.0 4.80 912 793 A 18 LEU HD1% A 13 LYS HBx 1.0 0.0 4.80 913 794 A 45 LEU HD2% A 13 LYS HBy 1.0 0.0 5.87 914 794 A 45 LEU HD2% A 13 LYS HBx 1.0 0.0 5.87 915 795 A 21 LEU HD1% A 13 LYS HGy 1.0 0.0 5.12 916 795 A 21 LEU HD1% A 13 LYS HGx 1.0 0.0 5.12 917 796 A 18 LEU HD1% A 13 LYS HDx 1.0 0.0 5.42 918 796 A 18 LEU HD1% A 13 LYS HDy 1.0 0.0 5.42 919 797 A 21 LEU HD1% A 13 LYS HDx 1.0 0.0 4.47 920 797 A 21 LEU HD1% A 13 LYS HDy 1.0 0.0 4.47 921 798 A 45 LEU HD1% A 13 LYS HDx 1.0 0.0 4.72 922 798 A 45 LEU HD1% A 13 LYS HDy 1.0 0.0 4.72 923 799 A 45 LEU HD2% A 13 LYS HDx 1.0 0.0 5.19 924 799 A 45 LEU HD2% A 13 LYS HDy 1.0 0.0 5.19 925 800 A 53 TRP HD1 A 13 LYS HDx 1.0 0.0 5.63 926 800 A 53 TRP HD1 A 13 LYS HDy 1.0 0.0 5.63 927 801 A 21 LEU HD1% A 13 LYS HEy 1.0 0.0 4.51 928 801 A 21 LEU HD1% A 13 LYS HEx 1.0 0.0 4.51 929 802 A 45 LEU HD1% A 13 LYS HEy 1.0 0.0 4.44 930 802 A 45 LEU HD1% A 13 LYS HEx 1.0 0.0 4.44 931 803 A 45 LEU HD2% A 13 LYS HEy 1.0 0.0 4.81 932 803 A 45 LEU HD2% A 13 LYS HEx 1.0 0.0 4.81 933 804 A 53 TRP HD1 A 13 LYS HEy 1.0 0.0 3.70 934 804 A 53 TRP HD1 A 13 LYS HEx 1.0 0.0 3.70 935 805 A 15 LYS H A 15 LYS HBx 1.0 0.0 3.51 936 805 A 15 LYS H A 15 LYS HBy 1.0 0.0 3.51 937 806 A 15 LYS HA A 18 LEU HBy 1.0 0.0 3.91 938 806 A 15 LYS HA A 18 LEU HBx 1.0 0.0 3.91 939 807 A 15 LYS HBy A 15 LYS HE2 1.0 0.0 5.70 940 807 A 15 LYS HBx A 15 LYS HE2 1.0 0.0 5.70 941 807 A 15 LYS HE3 A 15 LYS HBx 1.0 0.0 5.70 942 807 A 15 LYS HBy A 15 LYS HE3 1.0 0.0 5.70 943 808 A 16 GLU H A 15 LYS HBx 1.0 0.0 3.71 944 808 A 16 GLU H A 15 LYS HBy 1.0 0.0 3.71 945 809 A 16 GLU H A 16 GLU HBy 1.0 0.0 3.43 946 809 A 16 GLU H A 16 GLU HBx 1.0 0.0 3.43 947 810 A 16 GLU H A 16 GLU HGy 1.0 0.0 3.97 948 810 A 16 GLU H A 16 GLU HGx 1.0 0.0 3.97 949 811 A 16 GLU HA A 16 GLU HGy 1.0 0.0 3.75 950 811 A 16 GLU HA A 16 GLU HGx 1.0 0.0 3.75 951 812 A 17 GLN H A 16 GLU HBy 1.0 0.0 3.86 952 812 A 17 GLN H A 16 GLU HBx 1.0 0.0 3.86 953 813 A 17 GLN H A 18 LEU HBy 1.0 0.0 5.02 954 813 A 17 GLN H A 18 LEU HBx 1.0 0.0 5.02 955 814 A 18 LEU H A 18 LEU HBy 1.0 0.0 3.11 956 814 A 18 LEU H A 18 LEU HBx 1.0 0.0 3.11 957 815 A 18 LEU HD1% A 18 LEU HBy 1.0 0.0 3.33 958 815 A 18 LEU HD1% A 18 LEU HBx 1.0 0.0 3.33 959 816 A 19 ALA H A 18 LEU HBy 1.0 0.0 3.64 960 816 A 19 ALA H A 18 LEU HBx 1.0 0.0 3.64 961 817 A 20 GLU HG3 A 42 ILE HG1y 1.0 0.0 5.87 962 817 A 20 GLU HG3 A 42 ILE HG1x 1.0 0.0 5.87 963 818 A 21 LEU HD1% A 50 ILE HG1y 1.0 0.0 4.48 964 818 A 21 LEU HD1% A 50 ILE HG1x 1.0 0.0 4.48 965 819 A 21 LEU HD2% A 50 ILE HG1y 1.0 0.0 5.53 966 819 A 21 LEU HD2% A 50 ILE HG1x 1.0 0.0 5.53 967 820 A 24 SER HA A 27 LYS HBy 1.0 0.0 4.93 968 820 A 24 SER HA A 27 LYS HBx 1.0 0.0 4.93 969 821 A 25 TYR HD% A 29 GLN HGy 1.0 0.0 4.08 970 821 A 25 TYR HD% A 29 GLN HGx 1.0 0.0 4.08 971 822 A 25 TYR HE% A 29 GLN HBy 1.0 0.0 3.48 972 822 A 25 TYR HE% A 29 GLN HBx 1.0 0.0 3.48 973 823 A 25 TYR HE% A 29 GLN HGy 1.0 0.0 3.86 974 823 A 25 TYR HE% A 29 GLN HGx 1.0 0.0 3.86 975 824 A 25 TYR HE% A 58 ARG HGx 1.0 0.0 3.41 976 824 A 25 TYR HE% A 58 ARG HGy 1.0 0.0 3.41 977 825 A 25 TYR HE% A 58 ARG HDy 1.0 0.0 5.35 978 825 A 25 TYR HE% A 58 ARG HDx 1.0 0.0 5.35 979 826 A 26 LEU H A 26 LEU HBy 1.0 0.0 3.51 980 826 A 26 LEU H A 26 LEU HBx 1.0 0.0 3.51 981 827 A 28 ASN H A 26 LEU HBy 1.0 0.0 5.87 982 827 A 28 ASN H A 26 LEU HBx 1.0 0.0 5.87 983 828 A 27 LYS H A 27 LYS HBy 1.0 0.0 3.14 984 828 A 27 LYS H A 27 LYS HBx 1.0 0.0 3.14 985 829 A 27 LYS H A 27 LYS HGy 1.0 0.0 4.35 986 829 A 27 LYS H A 27 LYS HGx 1.0 0.0 4.35 987 830 A 27 LYS HA A 27 LYS HGy 1.0 0.0 3.93 988 830 A 27 LYS HA A 27 LYS HGx 1.0 0.0 3.93 989 831 A 27 LYS HBx A 27 LYS HD2 1.0 0.0 3.34 990 831 A 27 LYS HBy A 27 LYS HD2 1.0 0.0 3.34 991 831 A 27 LYS HD3 A 27 LYS HBy 1.0 0.0 3.34 992 831 A 27 LYS HD3 A 27 LYS HBx 1.0 0.0 3.34 993 832 A 28 ASN H A 27 LYS HBy 1.0 0.0 4.10 994 832 A 28 ASN H A 27 LYS HBx 1.0 0.0 4.10 995 833 A 28 ASN H A 27 LYS HGy 1.0 0.0 5.87 996 833 A 28 ASN H A 27 LYS HGx 1.0 0.0 5.87 997 834 A 28 ASN HD2x A 28 ASN HBy 1.0 0.0 3.47 998 834 A 28 ASN HD2x A 28 ASN HBx 1.0 0.0 3.47 999 834 A 28 ASN HD2y A 28 ASN HBy 1.0 0.0 3.47 1000 834 A 28 ASN HD2y A 28 ASN HBx 1.0 0.0 3.47 1001 835 A 31 PRO HA A 28 ASN HBx 1.0 0.0 5.87 1002 835 A 31 PRO HA A 28 ASN HBy 1.0 0.0 5.87 1003 836 A 31 PRO HA A 28 ASN HD2y 1.0 0.0 4.39 1004 836 A 31 PRO HA A 28 ASN HD2x 1.0 0.0 4.39 1005 837 A 32 HIS H A 28 ASN HD2y 1.0 0.0 5.18 1006 837 A 32 HIS H A 28 ASN HD2x 1.0 0.0 5.18 1007 838 A 29 GLN H A 29 GLN HBy 1.0 0.0 3.87 1008 838 A 29 GLN H A 29 GLN HBx 1.0 0.0 3.87 1009 839 A 29 GLN H A 29 GLN HGy 1.0 0.0 4.20 1010 839 A 29 GLN H A 29 GLN HGx 1.0 0.0 4.20 1011 840 A 29 GLN HA A 29 GLN HGy 1.0 0.0 4.06 1012 840 A 29 GLN HA A 29 GLN HGx 1.0 0.0 4.06 1013 841 A 30 PHE H A 29 GLN HBy 1.0 0.0 4.54 1014 841 A 30 PHE H A 29 GLN HBx 1.0 0.0 4.54 1015 842 A 30 PHE HD% A 29 GLN HBy 1.0 0.0 3.99 1016 842 A 30 PHE HD% A 29 GLN HBx 1.0 0.0 3.99 1017 843 A 30 PHE HE% A 29 GLN HBy 1.0 0.0 4.98 1018 843 A 29 GLN HBx A 30 PHE HE% 1.0 0.0 4.98 1019 844 A 30 PHE HD% A 29 GLN HGy 1.0 0.0 4.55 1020 844 A 30 PHE HD% A 29 GLN HGx 1.0 0.0 4.55 1021 845 A 30 PHE HE% A 29 GLN HGy 1.0 0.0 5.63 1022 845 A 29 GLN HGx A 30 PHE HE% 1.0 0.0 5.63 1023 846 A 30 PHE H A 30 PHE HBy 1.0 0.0 4.00 1024 846 A 30 PHE H A 30 PHE HBx 1.0 0.0 4.00 1025 847 A 30 PHE HZ A 58 ARG HDy 1.0 0.0 4.32 1026 847 A 58 ARG HDx A 30 PHE HZ 1.0 0.0 4.32 1027 848 A 31 PRO HA A 35 GLU HGy 1.0 0.0 5.87 1028 848 A 31 PRO HA A 35 GLU HGx 1.0 0.0 5.87 1029 849 A 31 PRO HBx A 35 GLU HBy 1.0 0.0 5.23 1030 849 A 31 PRO HBy A 35 GLU HBy 1.0 0.0 5.23 1031 849 A 35 GLU HBx A 31 PRO HBy 1.0 0.0 5.23 1032 849 A 31 PRO HBx A 35 GLU HBx 1.0 0.0 5.23 1033 850 A 31 PRO HBx A 35 GLU HGy 1.0 0.0 4.50 1034 850 A 35 GLU HGx A 31 PRO HBy 1.0 0.0 4.50 1035 850 A 35 GLU HGx A 31 PRO HBx 1.0 0.0 4.50 1036 850 A 31 PRO HBy A 35 GLU HGy 1.0 0.0 4.50 1037 851 A 36 ILE HD1% A 31 PRO HGy 1.0 0.0 3.51 1038 851 A 36 ILE HD1% A 31 PRO HGx 1.0 0.0 3.51 1039 852 A 32 HIS H A 35 GLU HBy 1.0 0.0 4.12 1040 852 A 32 HIS H A 35 GLU HBx 1.0 0.0 4.12 1041 853 A 32 HIS HB3 A 34 SER HBx 1.0 0.0 5.87 1042 853 A 34 SER HBy A 32 HIS HB2 1.0 0.0 5.87 1043 853 A 32 HIS HB3 A 34 SER HBy 1.0 0.0 5.87 1044 853 A 32 HIS HB2 A 34 SER HBx 1.0 0.0 5.87 1045 854 A 33 ASP HB3 A 34 SER HBx 1.0 0.0 5.87 1046 854 A 33 ASP HB2 A 34 SER HBx 1.0 0.0 5.87 1047 854 A 34 SER HBy A 33 ASP HB2 1.0 0.0 5.87 1048 854 A 33 ASP HB3 A 34 SER HBy 1.0 0.0 5.87 1049 855 A 35 GLU H A 34 SER HBx 1.0 0.0 4.47 1050 855 A 35 GLU H A 34 SER HBy 1.0 0.0 4.47 1051 856 A 35 GLU H A 35 GLU HGy 1.0 0.0 5.46 1052 856 A 35 GLU H A 35 GLU HGx 1.0 0.0 5.46 1053 857 A 35 GLU HA A 35 GLU HGy 1.0 0.0 4.08 1054 857 A 35 GLU HA A 35 GLU HGx 1.0 0.0 4.08 1055 858 A 36 ILE H A 35 GLU HBy 1.0 0.0 4.05 1056 858 A 36 ILE H A 35 GLU HBx 1.0 0.0 4.05 1057 859 A 39 LEU HD1% A 35 GLU HGy 1.0 0.0 4.24 1058 859 A 39 LEU HD1% A 35 GLU HGx 1.0 0.0 4.24 1059 860 A 36 ILE H A 36 ILE HG1y 1.0 0.0 3.27 1060 860 A 36 ILE H A 36 ILE HG1x 1.0 0.0 3.27 1061 861 A 36 ILE HA A 36 ILE HG1y 1.0 0.0 4.00 1062 861 A 36 ILE HA A 36 ILE HG1x 1.0 0.0 4.00 1063 862 A 36 ILE HG2% A 36 ILE HG1y 1.0 0.0 3.75 1064 862 A 36 ILE HG2% A 36 ILE HG1x 1.0 0.0 3.75 1065 863 A 36 ILE HG2% A 40 MET HGy 1.0 0.0 4.25 1066 863 A 36 ILE HG2% A 40 MET HGx 1.0 0.0 4.25 1067 864 A 36 ILE HG2% A 47 LYS HGx 1.0 0.0 3.59 1068 864 A 36 ILE HG2% A 47 LYS HGy 1.0 0.0 3.59 1069 865 A 36 ILE HG2% A 51 LYS HGx 1.0 0.0 5.37 1070 865 A 36 ILE HG2% A 51 LYS HGy 1.0 0.0 5.37 1071 866 A 37 ILE H A 37 ILE HG1y 1.0 0.0 3.22 1072 866 A 37 ILE H A 37 ILE HG1x 1.0 0.0 3.22 1073 867 A 37 ILE HA A 37 ILE HG1y 1.0 0.0 3.74 1074 867 A 37 ILE HA A 37 ILE HG1x 1.0 0.0 3.74 1075 868 A 37 ILE HA A 40 MET HGy 1.0 0.0 4.42 1076 868 A 37 ILE HA A 40 MET HGx 1.0 0.0 4.42 1077 869 A 37 ILE HG2% A 37 ILE HG1y 1.0 0.0 3.39 1078 869 A 37 ILE HG2% A 37 ILE HG1x 1.0 0.0 3.39 1079 870 A 38 ARG H A 37 ILE HG1y 1.0 0.0 5.02 1080 870 A 38 ARG H A 37 ILE HG1x 1.0 0.0 5.02 1081 871 A 40 MET HE% A 37 ILE HG1y 1.0 0.0 4.79 1082 871 A 40 MET HE% A 37 ILE HG1x 1.0 0.0 4.79 1083 872 A 38 ARG H A 38 ARG HGx 1.0 0.0 4.79 1084 872 A 38 ARG H A 38 ARG HGy 1.0 0.0 4.79 1085 873 A 38 ARG HA A 38 ARG HGx 1.0 0.0 3.82 1086 873 A 38 ARG HA A 38 ARG HGy 1.0 0.0 3.82 1087 874 A 38 ARG HE A 38 ARG HBy 1.0 0.0 5.05 1088 874 A 38 ARG HBx A 38 ARG HE 1.0 0.0 5.05 1089 875 A 39 LEU H A 38 ARG HBy 1.0 0.0 3.66 1090 875 A 39 LEU H A 38 ARG HBx 1.0 0.0 3.66 1091 876 A 39 LEU HD2% A 38 ARG HGx 1.0 0.0 4.63 1092 876 A 39 LEU HD2% A 38 ARG HGy 1.0 0.0 4.63 1093 877 A 39 LEU HA A 42 ILE HG1y 1.0 0.0 3.94 1094 877 A 39 LEU HA A 42 ILE HG1x 1.0 0.0 3.94 1095 878 A 40 MET H A 40 MET HGy 1.0 0.0 3.49 1096 878 A 40 MET H A 40 MET HGx 1.0 0.0 3.49 1097 879 A 40 MET HA A 40 MET HGy 1.0 0.0 3.94 1098 879 A 40 MET HA A 40 MET HGx 1.0 0.0 3.94 1099 880 A 40 MET HE% A 40 MET HGy 1.0 0.0 3.44 1100 880 A 40 MET HE% A 40 MET HGx 1.0 0.0 3.44 1101 881 A 41 LYS H A 40 MET HGy 1.0 0.0 4.92 1102 881 A 41 LYS H A 40 MET HGx 1.0 0.0 4.92 1103 882 A 47 LYS HA A 40 MET HGy 1.0 0.0 4.79 1104 882 A 47 LYS HA A 40 MET HGx 1.0 0.0 4.79 1105 883 A 40 MET HE% A 47 LYS HGx 1.0 0.0 5.86 1106 883 A 40 MET HE% A 47 LYS HGy 1.0 0.0 5.86 1107 884 A 41 LYS H A 42 ILE HG1y 1.0 0.0 5.03 1108 884 A 41 LYS H A 42 ILE HG1x 1.0 0.0 5.03 1109 885 A 42 ILE H A 42 ILE HG1y 1.0 0.0 3.31 1110 885 A 42 ILE H A 42 ILE HG1x 1.0 0.0 3.31 1111 886 A 42 ILE HA A 42 ILE HG1y 1.0 0.0 4.00 1112 886 A 42 ILE HA A 42 ILE HG1x 1.0 0.0 4.00 1113 887 A 43 THR H A 42 ILE HG1y 1.0 0.0 4.44 1114 887 A 43 THR H A 42 ILE HG1x 1.0 0.0 4.44 1115 888 A 45 LEU HB2 A 50 ILE HG1y 1.0 0.0 4.55 1116 888 A 45 LEU HB2 A 50 ILE HG1x 1.0 0.0 4.55 1117 889 A 45 LEU HB3 A 50 ILE HG1y 1.0 0.0 4.44 1118 889 A 45 LEU HB3 A 50 ILE HG1x 1.0 0.0 4.44 1119 890 A 45 LEU HD1% A 50 ILE HG1y 1.0 0.0 4.61 1120 890 A 45 LEU HD1% A 50 ILE HG1x 1.0 0.0 4.61 1121 891 A 47 LYS H A 47 LYS HGx 1.0 0.0 4.73 1122 891 A 47 LYS H A 47 LYS HGy 1.0 0.0 4.73 1123 892 A 47 LYS HA A 47 LYS HGx 1.0 0.0 3.92 1124 892 A 47 LYS HA A 47 LYS HGy 1.0 0.0 3.92 1125 893 A 48 GLY H A 47 LYS HGx 1.0 0.0 5.87 1126 893 A 48 GLY H A 47 LYS HGy 1.0 0.0 5.87 1127 894 A 48 GLY HA2 A 51 LYS HBx 1.0 0.0 4.55 1128 894 A 48 GLY HA2 A 51 LYS HBy 1.0 0.0 4.55 1129 895 A 48 GLY HA2 A 51 LYS HGx 1.0 0.0 5.87 1130 895 A 48 GLY HA2 A 51 LYS HGy 1.0 0.0 5.87 1131 896 A 48 GLY HA3 A 51 LYS HBx 1.0 0.0 5.07 1132 896 A 48 GLY HA3 A 51 LYS HBy 1.0 0.0 5.07 1133 897 A 50 ILE H A 50 ILE HG1y 1.0 0.0 3.28 1134 897 A 50 ILE H A 50 ILE HG1x 1.0 0.0 3.28 1135 898 A 50 ILE HA A 50 ILE HG1y 1.0 0.0 3.70 1136 898 A 50 ILE HA A 50 ILE HG1x 1.0 0.0 3.70 1137 899 A 50 ILE HG2% A 53 TRP HBy 1.0 0.0 4.59 1138 899 A 50 ILE HG2% A 53 TRP HBx 1.0 0.0 4.59 1139 900 A 51 LYS H A 51 LYS HBx 1.0 0.0 3.45 1140 900 A 51 LYS H A 51 LYS HBy 1.0 0.0 3.45 1141 901 A 51 LYS H A 51 LYS HGx 1.0 0.0 3.26 1142 901 A 51 LYS H A 51 LYS HGy 1.0 0.0 3.26 1143 902 A 51 LYS HA A 51 LYS HGx 1.0 0.0 3.71 1144 902 A 51 LYS HA A 51 LYS HGy 1.0 0.0 3.71 1145 903 A 53 TRP HD1 A 53 TRP HBy 1.0 0.0 3.49 1146 903 A 53 TRP HD1 A 53 TRP HBx 1.0 0.0 3.49 1147 904 A 53 TRP HE3 A 53 TRP HBy 1.0 0.0 3.84 1148 904 A 53 TRP HE3 A 53 TRP HBx 1.0 0.0 3.84 1149 905 A 54 PHE H A 53 TRP HBy 1.0 0.0 3.77 1150 905 A 54 PHE H A 53 TRP HBx 1.0 0.0 3.77 1151 906 A 57 THR HG2% A 58 ARG HBy 1.0 0.0 5.87 1152 906 A 57 THR HG2% A 58 ARG HBx 1.0 0.0 5.87 1153 907 A 57 THR HG2% A 61 GLN HGy 1.0 0.0 4.59 1154 907 A 57 THR HG2% A 61 GLN HGx 1.0 0.0 4.59 1155 908 A 58 ARG H A 58 ARG HBy 1.0 0.0 3.31 1156 908 A 58 ARG H A 58 ARG HBx 1.0 0.0 3.31 1157 909 A 58 ARG H A 58 ARG HGx 1.0 0.0 3.72 1158 909 A 58 ARG H A 58 ARG HGy 1.0 0.0 3.72 1159 910 A 58 ARG HA A 58 ARG HGx 1.0 0.0 3.43 1160 910 A 58 ARG HA A 58 ARG HGy 1.0 0.0 3.43 1161 911 A 58 ARG HBx A 58 ARG HDy 1.0 0.0 3.67 1162 911 A 58 ARG HBy A 58 ARG HDy 1.0 0.0 3.67 1163 911 A 58 ARG HDx A 58 ARG HBy 1.0 0.0 3.67 1164 911 A 58 ARG HDx A 58 ARG HBx 1.0 0.0 3.67 1165 912 A 58 ARG HE A 58 ARG HBy 1.0 0.0 5.07 1166 912 A 58 ARG HBx A 58 ARG HE 1.0 0.0 5.07 1167 913 A 59 TYR H A 58 ARG HBy 1.0 0.0 3.62 1168 913 A 59 TYR H A 58 ARG HBx 1.0 0.0 3.62 1169 914 A 59 TYR HE% A 63 ASN HBx 1.0 0.0 4.52 1170 914 A 59 TYR HE% A 63 ASN HBy 1.0 0.0 4.52 1171 915 A 60 ASN HA A 63 ASN HBx 1.0 0.0 5.23 1172 915 A 60 ASN HA A 63 ASN HBy 1.0 0.0 5.23 1173 916 A 61 GLN H A 61 GLN HBx 1.0 0.0 3.26 1174 916 A 61 GLN H A 61 GLN HBy 1.0 0.0 3.26 1175 917 A 61 GLN H A 61 GLN HGy 1.0 0.0 4.43 1176 917 A 61 GLN H A 61 GLN HGx 1.0 0.0 4.43 1177 918 A 61 GLN HA A 61 GLN HGy 1.0 0.0 3.98 1178 918 A 61 GLN HGx A 61 GLN HA 1.0 0.0 3.98 1179 919 A 63 ASN H A 63 ASN HBx 1.0 0.0 3.95 1180 919 A 63 ASN H A 63 ASN HBy 1.0 0.0 3.95 1181 920 A 63 ASN HA A 63 ASN HD2x 1.0 0.0 4.12 1182 920 A 63 ASN HA A 63 ASN HD2y 1.0 0.0 4.12 1183 921 A 63 ASN HBx A 63 ASN HD2x 1.0 0.0 3.45 1184 921 A 63 ASN HBy A 63 ASN HD2x 1.0 0.0 3.45 1185 921 A 63 ASN HD2y A 63 ASN HBx 1.0 0.0 3.45 1186 921 A 63 ASN HBy A 63 ASN HD2y 1.0 0.0 3.45 1187 922 A 65 LYS H A 65 LYS HBx 1.0 0.0 3.98 1188 922 A 65 LYS H A 65 LYS HBy 1.0 0.0 3.98 1189 923 A 70 LEU H A 70 LEU HBy 1.0 0.0 3.91 1190 923 A 70 LEU H A 70 LEU HBx 1.0 0.0 3.91 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 15 LYS C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -77.8 -54.6 PHI 2 2 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 GLN N 1.0 -49.8 -25.8 PSI 3 3 A 16 GLU C A 17 GLN N A 17 GLN CA A 17 GLN C 1.0 -75.4 -55.4 PHI 4 4 A 17 GLN N A 17 GLN CA A 17 GLN C A 18 LEU N 1.0 -54.6 -34.6 PSI 5 5 A 17 GLN C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -70.2 -50.2 PHI 6 6 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 ALA N 1.0 -53.1 -27.9 PSI 7 7 A 18 LEU C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -70.2 -50.2 PHI 8 8 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 GLU N 1.0 -53.5 -32.7 PSI 9 9 A 19 ALA C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -88.0 -54.0 PHI 10 10 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 LEU N 1.0 -59.6 -21.0 PSI 11 11 A 20 GLU C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -75.2 -55.2 PHI 12 12 A 21 LEU N A 21 LEU CA A 21 LEU C A 22 LYS N 1.0 -55.4 -22.0 PSI 13 13 A 21 LEU C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -72.9 -47.3 PHI 14 14 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 VAL N 1.0 -52.7 -30.5 PSI 15 15 A 22 LYS C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -74.5 -54.5 PHI 16 16 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 SER N 1.0 -49.7 -29.7 PSI 17 17 A 23 VAL C A 24 SER N A 24 SER CA A 24 SER C 1.0 -74.2 -54.2 PHI 18 18 A 24 SER N A 24 SER CA A 24 SER C A 25 TYR N 1.0 -64.5 -21.1 PSI 19 19 A 24 SER C A 25 TYR N A 25 TYR CA A 25 TYR C 1.0 -76.8 -55.8 PHI 20 20 A 25 TYR N A 25 TYR CA A 25 TYR C A 26 LEU N 1.0 -53.2 -31.2 PSI 21 21 A 25 TYR C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -78.7 -50.5 PHI 22 22 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 LYS N 1.0 -58.2 -6.4 PSI 23 23 A 26 LEU C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -94.5 -49.1 PHI 24 24 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 ASN N 1.0 -57.0 2.6 PSI 25 25 A 33 ASP C A 34 SER N A 34 SER CA A 34 SER C 1.0 -77.2 -50.0 PHI 26 26 A 34 SER N A 34 SER CA A 34 SER C A 35 GLU N 1.0 -49.4 -29.4 PSI 27 27 A 34 SER C A 35 GLU N A 35 GLU CA A 35 GLU C 1.0 -107.0 -40.0 PHI 28 28 A 35 GLU N A 35 GLU CA A 35 GLU C A 36 ILE N 1.0 -61.5 -7.3 PSI 29 29 A 35 GLU C A 36 ILE N A 36 ILE CA A 36 ILE C 1.0 -71.4 -51.4 PHI 30 30 A 36 ILE N A 36 ILE CA A 36 ILE C A 37 ILE N 1.0 -54.2 -29.6 PSI 31 31 A 36 ILE C A 37 ILE N A 37 ILE CA A 37 ILE C 1.0 -71.7 -51.7 PHI 32 32 A 37 ILE N A 37 ILE CA A 37 ILE C A 38 ARG N 1.0 -52.2 -32.2 PSI 33 33 A 37 ILE C A 38 ARG N A 38 ARG CA A 38 ARG C 1.0 -77.2 -50.8 PHI 34 34 A 38 ARG N A 38 ARG CA A 38 ARG C A 39 LEU N 1.0 -57.2 -32.2 PSI 35 35 A 38 ARG C A 39 LEU N A 39 LEU CA A 39 LEU C 1.0 -76.0 -55.6 PHI 36 36 A 39 LEU N A 39 LEU CA A 39 LEU C A 40 MET N 1.0 -53.4 -23.2 PSI 37 37 A 39 LEU C A 40 MET N A 40 MET CA A 40 MET C 1.0 -84.0 -49.8 PHI 38 38 A 40 MET N A 40 MET CA A 40 MET C A 41 LYS N 1.0 -57.5 -30.1 PSI 39 39 A 47 LYS C A 48 GLY N A 48 GLY CA A 48 GLY C 1.0 -72.9 -52.9 PHI 40 40 A 48 GLY N A 48 GLY CA A 48 GLY C A 49 GLU N 1.0 -53.4 -27.8 PSI 41 41 A 48 GLY C A 49 GLU N A 49 GLU CA A 49 GLU C 1.0 -74.5 -54.5 PHI 42 42 A 49 GLU N A 49 GLU CA A 49 GLU C A 50 ILE N 1.0 -53.5 -31.1 PSI 43 43 A 49 GLU C A 50 ILE N A 50 ILE CA A 50 ILE C 1.0 -74.1 -54.1 PHI 44 44 A 50 ILE N A 50 ILE CA A 50 ILE C A 51 LYS N 1.0 -53.1 -31.9 PSI 45 45 A 50 ILE C A 51 LYS N A 51 LYS CA A 51 LYS C 1.0 -76.5 -48.5 PHI 46 46 A 51 LYS N A 51 LYS CA A 51 LYS C A 52 LYS N 1.0 -54.6 -30.4 PSI 47 47 A 51 LYS C A 52 LYS N A 52 LYS CA A 52 LYS C 1.0 -75.6 -55.6 PHI 48 48 A 52 LYS N A 52 LYS CA A 52 LYS C A 53 TRP N 1.0 -52.7 -32.7 PSI 49 49 A 52 LYS C A 53 TRP N A 53 TRP CA A 53 TRP C 1.0 -74.7 -54.7 PHI 50 50 A 53 TRP N A 53 TRP CA A 53 TRP C A 54 PHE N 1.0 -47.4 -27.4 PSI 51 51 A 53 TRP C A 54 PHE N A 54 PHE CA A 54 PHE C 1.0 -76.4 -56.4 PHI 52 52 A 54 PHE N A 54 PHE CA A 54 PHE C A 55 SER N 1.0 -51.8 -30.4 PSI 53 53 A 54 PHE C A 55 SER N A 55 SER CA A 55 SER C 1.0 -70.6 -50.6 PHI 54 54 A 55 SER N A 55 SER CA A 55 SER C A 56 ASP N 1.0 -56.2 -29.2 PSI 55 55 A 55 SER C A 56 ASP N A 56 ASP CA A 56 ASP C 1.0 -74.3 -54.3 PHI 56 56 A 56 ASP N A 56 ASP CA A 56 ASP C A 57 THR N 1.0 -50.0 -30.0 PSI 57 57 A 56 ASP C A 57 THR N A 57 THR CA A 57 THR C 1.0 -84.5 -49.5 PHI 58 58 A 57 THR N A 57 THR CA A 57 THR C A 58 ARG N 1.0 -60.5 -27.9 PSI 59 59 A 57 THR C A 58 ARG N A 58 ARG CA A 58 ARG C 1.0 -72.0 -52.0 PHI 60 60 A 58 ARG N A 58 ARG CA A 58 ARG C A 59 TYR N 1.0 -53.3 -29.5 PSI 61 61 A 58 ARG C A 59 TYR N A 59 TYR CA A 59 TYR C 1.0 -77.0 -54.2 PHI 62 62 A 59 TYR N A 59 TYR CA A 59 TYR C A 60 ASN N 1.0 -55.6 -35.2 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 9314.2 2 1H 9315.32 3 15N 1694 stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 9314.2 2 1H 9315.32 3 13C 8303.92 stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 4657.2 2 1H 9315.32 3 13C 8303.9 stop_ save_