data_nef_c18870_2m1m save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 HIS start . . 2 A 2 GLU middle . . 3 A 3 ALA middle . . 4 A 4 ASP middle . . 5 A 5 VAL middle . . 6 A 6 GLY middle . false 7 A 7 GLY middle . false 8 A 8 ILE middle . . 9 A 9 PHE middle . . 10 A 10 VAL middle . . 11 A 11 LYS middle . . 12 A 12 VAL middle . . 13 A 13 SER middle . . 14 A 14 MET middle . . 15 A 15 ASP middle . . 16 A 16 GLY middle . false 17 A 17 ALA middle . . 18 A 18 PRO middle . false 19 A 19 TYR middle . . 20 A 20 LEU middle . . 21 A 21 ARG middle . . 22 A 22 LYS middle . . 23 A 23 ILE middle . . 24 A 24 ASP middle . . 25 A 25 LEU middle . . 26 A 26 ARG middle . . 27 A 27 VAL middle . . 28 A 28 TYR middle . . 29 A 29 GLY middle . false 30 A 30 GLY middle . false 31 A 31 TYR middle . . 32 A 32 SER middle . . 33 A 33 GLU middle . . 34 A 34 LEU middle . . 35 A 35 LEU middle . . 36 A 36 LYS middle . . 37 A 37 ALA middle . . 38 A 38 LEU middle . . 39 A 39 GLU middle . . 40 A 40 THR middle . . 41 A 41 MET middle . . 42 A 42 PHE middle . . 43 A 43 LYS middle . . 44 A 44 LEU middle . . 45 A 45 THR middle . . 46 A 46 ILE middle . . 47 A 47 GLY middle . false 48 A 48 GLU middle . . 49 A 49 TYR middle . . 50 A 50 SER middle . . 51 A 51 GLU middle . . 52 A 52 ARG middle . . 53 A 53 GLU middle . . 54 A 54 GLY middle . false 55 A 55 TYR middle . . 56 A 56 LYS middle . . 57 A 57 GLY middle . false 58 A 58 SER middle . . 59 A 59 GLU middle . . 60 A 60 TYR middle . . 61 A 61 ALA middle . . 62 A 62 PRO middle . false 63 A 63 THR middle . . 64 A 64 TYR middle . . 65 A 65 GLU middle . . 66 A 66 ASP middle . . 67 A 67 LYS middle . . 68 A 68 ASP middle . . 69 A 69 GLY middle . false 70 A 70 ASP middle . . 71 A 71 TRP middle . . 72 A 72 MET middle . . 73 A 73 LEU middle . . 74 A 74 VAL middle . . 75 A 75 GLY middle . false 76 A 76 ASP middle . . 77 A 77 VAL middle . . 78 A 78 PRO middle . false 79 A 79 TRP middle . . 80 A 80 ASP middle . . 81 A 81 MET middle . . 82 A 82 PHE middle . . 83 A 83 VAL middle . . 84 A 84 THR middle . . 85 A 85 SER middle . . 86 A 86 CYS middle . . 87 A 87 LYS middle . . 88 A 88 ARG middle . . 89 A 89 LEU middle . . 90 A 90 ARG middle . . 91 A 91 ILE middle . . 92 A 92 MET middle . . 93 A 93 LYS middle . . 94 A 94 GLY middle . false 95 A 95 THR middle . . 96 A 96 GLU middle . . 97 A 97 ALA middle . . 98 A 98 LYS middle . . 99 A 99 GLY middle . false 100 A 100 LEU middle . . 101 A 101 GLY middle . false 102 A 102 CYS middle . . 103 A 103 GLY middle . false 104 A 104 VAL middle . . 105 A 105 GLY middle . false 106 A 106 SER middle . . 107 A 107 HIS 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 1 HIS C C 13 173.793 0.01 A 2 GLU H H 1 8.472 0.01 A 2 GLU HA H 1 3.791 0.01 A 2 GLU HBy H 1 2.418 0.01 A 2 GLU HBx H 1 2.193 0.01 A 2 GLU HGy H 1 2.748 0.01 A 2 GLU HGx H 1 2.209 0.01 A 2 GLU C C 13 175.368 0.01 A 2 GLU CA C 13 55.97 0.01 A 2 GLU CB C 13 29.31 0.01 A 2 GLU CG C 13 35.121 0.01 A 2 GLU N N 15 123.507 0.01 A 3 ALA H H 1 8.371 0.01 A 3 ALA HA H 1 4.133 0.01 A 3 ALA HB% H 1 1.227 0.01 A 3 ALA C C 13 177.266 0.01 A 3 ALA CA C 13 52.7 0.01 A 3 ALA CB C 13 19.44 0.01 A 3 ALA N N 15 125.5 0.01 A 4 ASP H H 1 8.371 0.01 A 4 ASP HA H 1 4.549 0.01 A 4 ASP HBx H 1 2.63 0.01 A 4 ASP HBy H 1 2.739 0.01 A 4 ASP C C 13 175.427 0.01 A 4 ASP CA C 13 53.38 0.01 A 4 ASP CB C 13 38.91 0.01 A 4 ASP N N 15 118.51 0.01 A 5 VAL H H 1 7.977 0.01 A 5 VAL HA H 1 3.975 0.01 A 5 VAL HB H 1 1.951 0.01 A 5 VAL HGx% H 1 0.779 0.01 A 5 VAL HGy% H 1 0.779 0.01 A 5 VAL C C 13 176.608 0.01 A 5 VAL CA C 13 62.73 0.01 A 5 VAL CB C 13 32.77 0.01 A 5 VAL CGx C 13 20.551 0.01 A 5 VAL CGy C 13 21.428 0.01 A 5 VAL N N 15 120.377 0.01 A 6 GLY H H 1 8.37 0.01 A 6 GLY HAx H 1 3.843 0.01 A 6 GLY HAy H 1 3.991 0.01 A 6 GLY C C 13 172.689 0.01 A 6 GLY CA C 13 45.49 0.01 A 6 GLY N N 15 112.118 0.01 A 7 GLY H H 1 8.61 0.01 A 7 GLY HAx H 1 3.632 0.01 A 7 GLY HAy H 1 4.025 0.01 A 7 GLY C C 13 173.159 0.01 A 7 GLY CA C 13 45.53 0.01 A 7 GLY N N 15 113.38 0.01 A 8 ILE H H 1 7.417 0.01 A 8 ILE HA H 1 4.004 0.01 A 8 ILE HB H 1 1.434 0.01 A 8 ILE HD1% H 1 0.638 0.01 A 8 ILE HG1y H 1 0.837 0.01 A 8 ILE HG2% H 1 0.559 0.01 A 8 ILE C C 13 174.587 0.01 A 8 ILE CA C 13 60.67 0.01 A 8 ILE CB C 13 39.33 0.01 A 8 ILE CD1 C 13 17.778 0.01 A 8 ILE CG1 C 13 27.088 0.01 A 8 ILE CG2 C 13 13.385 0.01 A 8 ILE N N 15 121.756 0.01 A 9 PHE H H 1 8.308 0.01 A 9 PHE HA H 1 5.18 0.01 A 9 PHE HBy H 1 2.799 0.01 A 9 PHE HBx H 1 2.575 0.01 A 9 PHE HDx H 1 6.931 0.01 A 9 PHE HDy H 1 6.931 0.01 A 9 PHE HEx H 1 7.226 0.01 A 9 PHE HEy H 1 7.226 0.01 A 9 PHE HZ H 1 7.225 0.01 A 9 PHE C C 13 176.711 0.01 A 9 PHE CA C 13 57.37 0.01 A 9 PHE CB C 13 41.11 0.01 A 9 PHE CDy C 13 128.852 0.01 A 9 PHE CEy C 13 128.898 0.01 A 9 PHE CZ C 13 127.512 0.01 A 9 PHE N N 15 122.628 0.01 A 10 VAL H H 1 9.019 0.01 A 10 VAL HA H 1 4.503 0.01 A 10 VAL HB H 1 1.847 0.01 A 10 VAL HGx% H 1 0.667 0.01 A 10 VAL HGy% H 1 0.665 0.01 A 10 VAL C C 13 174.574 0.01 A 10 VAL CA C 13 59.99 0.01 A 10 VAL CB C 13 35.85 0.01 A 10 VAL CGy C 13 20.147 0.01 A 10 VAL CGx C 13 20.133 0.01 A 10 VAL N N 15 117.99 0.01 A 11 LYS H H 1 8.729 0.01 A 11 LYS HA H 1 4.921 0.01 A 11 LYS HBy H 1 1.755 0.01 A 11 LYS HBx H 1 1.69 0.01 A 11 LYS HDy H 1 1.757 0.01 A 11 LYS HDx H 1 1.696 0.01 A 11 LYS HEx H 1 2.825 0.01 A 11 LYS HEy H 1 2.825 0.01 A 11 LYS HGy H 1 1.507 0.01 A 11 LYS HGx H 1 1.255 0.01 A 11 LYS C C 13 175.62 0.01 A 11 LYS CA C 13 56.43 0.01 A 11 LYS CB C 13 34.59 0.01 A 11 LYS CD C 13 34.74 0.01 A 11 LYS CE C 13 42.543 0.01 A 11 LYS CG C 13 26.551 0.01 A 11 LYS N N 15 122.336 0.01 A 12 VAL H H 1 8.864 0.01 A 12 VAL HA H 1 5.141 0.01 A 12 VAL HB H 1 1.894 0.01 A 12 VAL HGx% H 1 0.882 0.01 A 12 VAL HGy% H 1 0.843 0.01 A 12 VAL C C 13 173.266 0.01 A 12 VAL CA C 13 60.01 0.01 A 12 VAL CB C 13 34.87 0.01 A 12 VAL CGx C 13 21.208 0.01 A 12 VAL CGy C 13 22.448 0.01 A 12 VAL N N 15 119.483 0.01 A 13 SER H H 1 7.787 0.01 A 13 SER HA H 1 4.851 0.01 A 13 SER HBy H 1 3.906 0.01 A 13 SER HBx H 1 3.598 0.01 A 13 SER CA C 13 56.36 0.01 A 13 SER CB C 13 67.28 0.01 A 13 SER N N 15 119.247 0.01 A 14 MET H H 1 7.996 0.01 A 14 MET HE% H 1 1.534 0.01 A 14 MET CE C 13 18.202 0.01 A 15 ASP H H 1 8.279 0.01 A 15 ASP HA H 1 4.183 0.01 A 15 ASP HBy H 1 2.701 0.01 A 15 ASP HBx H 1 2.59 0.01 A 15 ASP C C 13 176.123 0.01 A 15 ASP CA C 13 55.91 0.01 A 15 ASP CB C 13 39.95 0.01 A 15 ASP N N 15 126.692 0.01 A 16 GLY H H 1 8.611 0.01 A 16 GLY HAx H 1 3.548 0.01 A 16 GLY HAy H 1 4.092 0.01 A 16 GLY C C 13 173.173 0.01 A 16 GLY CA C 13 45.43 0.01 A 16 GLY N N 15 111.972 0.01 A 17 ALA H H 1 7.997 0.01 A 17 ALA HA H 1 4.813 0.01 A 17 ALA HB% H 1 1.3 0.01 A 17 ALA CA C 13 49.58 0.01 A 17 ALA CB C 13 20.38 0.01 A 17 ALA N N 15 123.763 0.01 A 18 PRO HA H 1 4.405 0.01 A 18 PRO HBy H 1 1.972 0.01 A 18 PRO HBx H 1 1.789 0.01 A 18 PRO HDy H 1 3.582 0.01 A 18 PRO HDx H 1 3.393 0.01 A 18 PRO HGy H 1 1.881 0.01 A 18 PRO HGx H 1 1.508 0.01 A 18 PRO CA C 13 63.978 0.01 A 18 PRO CB C 13 31.879 0.01 A 18 PRO CD C 13 50.859 0.01 A 18 PRO CG C 13 27.073 0.01 A 19 TYR H H 1 8.856 0.01 A 19 TYR C C 13 174.416 0.01 A 19 TYR N N 15 121.487 0.01 A 20 LEU H H 1 8.406 0.01 A 20 LEU HA H 1 4.803 0.01 A 20 LEU HBy H 1 1.549 0.01 A 20 LEU HBx H 1 1.548 0.01 A 20 LEU HDx% H 1 0.778 0.01 A 20 LEU HDy% H 1 0.829 0.01 A 20 LEU HG H 1 1.542 0.01 A 20 LEU CA C 13 55.127 0.01 A 20 LEU CB C 13 44.726 0.01 A 20 LEU CDy C 13 25.437 0.01 A 20 LEU CDx C 13 25.313 0.01 A 20 LEU CG C 13 27.769 0.01 A 20 LEU N N 15 120.662 0.01 A 21 ARG C C 13 174.484 0.01 A 22 LYS H H 1 8.424 0.01 A 22 LYS HA H 1 5.187 0.01 A 22 LYS HBy H 1 1.522 0.01 A 22 LYS HBx H 1 1.521 0.01 A 22 LYS HDy H 1 1.145 0.01 A 22 LYS HDx H 1 1.144 0.01 A 22 LYS HEx H 1 2.463 0.01 A 22 LYS HEy H 1 2.463 0.01 A 22 LYS HGy H 1 1.287 0.01 A 22 LYS HGx H 1 1.225 0.01 A 22 LYS C C 13 175.369 0.01 A 22 LYS CA C 13 55.84 0.01 A 22 LYS CB C 13 35.56 0.01 A 22 LYS CD C 13 25.157 0.01 A 22 LYS CE C 13 41.974 0.01 A 22 LYS CG C 13 29.826 0.01 A 22 LYS N N 15 120.246 0.01 A 23 ILE H H 1 9.045 0.01 A 23 ILE HA H 1 4.686 0.01 A 23 ILE HB H 1 1.761 0.01 A 23 ILE HD1% H 1 0.634 0.01 A 23 ILE HG1y H 1 0.979 0.01 A 23 ILE HG2% H 1 0.731 0.01 A 23 ILE C C 13 172.55 0.01 A 23 ILE CA C 13 59.9 0.01 A 23 ILE CB C 13 42.78 0.01 A 23 ILE CD1 C 13 14.704 0.01 A 23 ILE CG1 C 13 27.493 0.01 A 23 ILE CG2 C 13 17.772 0.01 A 23 ILE N N 15 119.237 0.01 A 24 ASP H H 1 8.562 0.01 A 24 ASP HA H 1 4.735 0.01 A 24 ASP HBx H 1 1.906 0.01 A 24 ASP HBy H 1 2.697 0.01 A 24 ASP C C 13 176.503 0.01 A 24 ASP CA C 13 50.8 0.01 A 24 ASP CB C 13 39.37 0.01 A 24 ASP N N 15 122.747 0.01 A 25 LEU H H 1 8.884 0.01 A 25 LEU HA H 1 4.128 0.01 A 25 LEU HBy H 1 1.559 0.01 A 25 LEU HBx H 1 1.403 0.01 A 25 LEU HDx% H 1 0.791 0.01 A 25 LEU HDy% H 1 0.436 0.01 A 25 LEU HG H 1 1.685 0.01 A 25 LEU C C 13 178.175 0.01 A 25 LEU CA C 13 58 0.01 A 25 LEU CB C 13 43.01 0.01 A 25 LEU CDx C 13 23.935 0.01 A 25 LEU CDy C 13 26.538 0.01 A 25 LEU CG C 13 27.199 0.01 A 25 LEU N N 15 121.881 0.01 A 26 ARG H H 1 7.657 0.01 A 26 ARG HA H 1 4.007 0.01 A 26 ARG HBy H 1 1.743 0.01 A 26 ARG HBx H 1 1.643 0.01 A 26 ARG HDy H 1 3.016 0.01 A 26 ARG HDx H 1 3.015 0.01 A 26 ARG HE H 1 7.157 0.01 A 26 ARG HGy H 1 1.571 0.01 A 26 ARG HGx H 1 1.48 0.01 A 26 ARG C C 13 177.696 0.01 A 26 ARG CA C 13 58.19 0.01 A 26 ARG CB C 13 30.26 0.01 A 26 ARG CD C 13 43.491 0.01 A 26 ARG CG C 13 27.902 0.01 A 26 ARG N N 15 112.147 0.01 A 26 ARG NE N 15 84.22 0.01 A 27 VAL H H 1 6.833 0.01 A 27 VAL HA H 1 3.69 0.01 A 27 VAL HB H 1 1.659 0.01 A 27 VAL HGx% H 1 0.379 0.01 A 27 VAL HGy% H 1 0.416 0.01 A 27 VAL C C 13 175.813 0.01 A 27 VAL CA C 13 63.07 0.01 A 27 VAL CB C 13 31.58 0.01 A 27 VAL CGx C 13 19.934 0.01 A 27 VAL CGy C 13 20.98 0.01 A 27 VAL N N 15 112.243 0.01 A 28 TYR H H 1 6.912 0.01 A 28 TYR HA H 1 4.348 0.01 A 28 TYR HBy H 1 3.028 0.01 A 28 TYR HBx H 1 2.872 0.01 A 28 TYR C C 13 175.676 0.01 A 28 TYR CA C 13 58.42 0.01 A 28 TYR CB C 13 40.39 0.01 A 28 TYR N N 15 118.366 0.01 A 29 GLY H H 1 7.762 0.01 A 29 GLY HAx H 1 3.365 0.01 A 29 GLY HAy H 1 3.774 0.01 A 29 GLY C C 13 172.385 0.01 A 29 GLY CA C 13 44.93 0.01 A 29 GLY N N 15 104.242 0.01 A 30 GLY H H 1 5.678 0.01 A 30 GLY HAx H 1 1.908 0.01 A 30 GLY HAy H 1 3.289 0.01 A 30 GLY C C 13 172.226 0.01 A 30 GLY CA C 13 44.08 0.01 A 30 GLY N N 15 104.622 0.01 A 31 TYR H H 1 7.74 0.01 A 31 TYR HA H 1 3.85 0.01 A 31 TYR HBy H 1 2.872 0.01 A 31 TYR HBx H 1 2.623 0.01 A 31 TYR C C 13 177.997 0.01 A 31 TYR CA C 13 62.76 0.01 A 31 TYR CB C 13 38.39 0.01 A 31 TYR N N 15 116.872 0.01 A 32 SER H H 1 8.755 0.01 A 32 SER HA H 1 4.21 0.01 A 32 SER HBx H 1 3.617 0.01 A 32 SER HBy H 1 3.649 0.01 A 32 SER C C 13 177.443 0.01 A 32 SER CA C 13 58.73 0.01 A 32 SER CB C 13 64.07 0.01 A 32 SER N N 15 114.746 0.01 A 33 GLU H H 1 7.683 0.01 A 33 GLU HA H 1 4.578 0.01 A 33 GLU HBy H 1 2.101 0.01 A 33 GLU HBx H 1 1.972 0.01 A 33 GLU C C 13 178.792 0.01 A 33 GLU CA C 13 55.27 0.01 A 33 GLU CB C 13 28.62 0.01 A 33 GLU N N 15 119.877 0.01 A 34 LEU H H 1 7.458 0.01 A 34 LEU HA H 1 3.212 0.01 A 34 LEU HBy H 1 1.958 0.01 A 34 LEU HBx H 1 1.354 0.01 A 34 LEU HDx% H 1 0.589 0.01 A 34 LEU HDy% H 1 1.044 0.01 A 34 LEU HG H 1 1.308 0.01 A 34 LEU C C 13 177.565 0.01 A 34 LEU CA C 13 58.18 0.01 A 34 LEU CB C 13 41.94 0.01 A 34 LEU CDx C 13 23.948 0.01 A 34 LEU CDy C 13 27.509 0.01 A 34 LEU CG C 13 28.066 0.01 A 34 LEU N N 15 121.365 0.01 A 35 LEU H H 1 8.828 0.01 A 35 LEU HA H 1 3.668 0.01 A 35 LEU HBy H 1 1.781 0.01 A 35 LEU HBx H 1 1.403 0.01 A 35 LEU HDx% H 1 0.831 0.01 A 35 LEU HDy% H 1 0.747 0.01 A 35 LEU HG H 1 1.731 0.01 A 35 LEU C C 13 179.057 0.01 A 35 LEU CA C 13 59.15 0.01 A 35 LEU CB C 13 40.61 0.01 A 35 LEU CDy C 13 24.931 0.01 A 35 LEU CDx C 13 23.83 0.01 A 35 LEU CG C 13 28.855 0.01 A 35 LEU N N 15 118.748 0.01 A 36 LYS H H 1 7.468 0.01 A 36 LYS C C 13 179.267 0.01 A 36 LYS CA C 13 59.23 0.01 A 36 LYS CB C 13 32.32 0.01 A 36 LYS N N 15 117.997 0.01 A 37 ALA H H 1 7.506 0.01 A 37 ALA HA H 1 4.104 0.01 A 37 ALA HB% H 1 1.363 0.01 A 37 ALA C C 13 180.991 0.01 A 37 ALA CA C 13 55.55 0.01 A 37 ALA CB C 13 18.48 0.01 A 37 ALA N N 15 122.5 0.01 A 38 LEU H H 1 8.295 0.01 A 38 LEU HA H 1 4.006 0.01 A 38 LEU HBy H 1 1.971 0.01 A 38 LEU HBx H 1 1.111 0.01 A 38 LEU HDx% H 1 0.636 0.01 A 38 LEU HDy% H 1 0.806 0.01 A 38 LEU HG H 1 1.919 0.01 A 38 LEU C C 13 178.779 0.01 A 38 LEU CA C 13 58.47 0.01 A 38 LEU CB C 13 41.97 0.01 A 38 LEU CDy C 13 25.537 0.01 A 38 LEU CDx C 13 23.358 0.01 A 38 LEU CG C 13 26.491 0.01 A 38 LEU N N 15 118.509 0.01 A 39 GLU H H 1 8.461 0.01 A 39 GLU HA H 1 3.78 0.01 A 39 GLU HBy H 1 2.42 0.01 A 39 GLU HBx H 1 2.199 0.01 A 39 GLU HGy H 1 2.749 0.01 A 39 GLU HGx H 1 2.211 0.01 A 39 GLU C C 13 173.834 0.01 A 39 GLU CA C 13 60.05 0.01 A 39 GLU CB C 13 29.34 0.01 A 39 GLU CG C 13 35.15 0.01 A 39 GLU N N 15 117.636 0.01 A 40 THR H H 1 7.901 0.01 A 40 THR HA H 1 3.925 0.01 A 40 THR HB H 1 4.167 0.01 A 40 THR HG2% H 1 1.137 0.01 A 40 THR C C 13 176.475 0.01 A 40 THR CA C 13 66.06 0.01 A 40 THR CB C 13 69.37 0.01 A 40 THR CG2 C 13 21.911 0.01 A 40 THR N N 15 114.494 0.01 A 41 MET H H 1 8.206 0.01 A 41 MET HA H 1 3.746 0.01 A 41 MET HBy H 1 1.902 0.01 A 41 MET HBx H 1 1.469 0.01 A 41 MET HE% H 1 1.812 0.01 A 41 MET HGy H 1 2.199 0.01 A 41 MET HGx H 1 1.758 0.01 A 41 MET C C 13 177.087 0.01 A 41 MET CA C 13 59.43 0.01 A 41 MET CB C 13 34.79 0.01 A 41 MET CE C 13 17.081 0.01 A 41 MET CG C 13 31.96 0.01 A 41 MET N N 15 120.752 0.01 A 42 PHE H H 1 7.667 0.01 A 42 PHE HA H 1 4.329 0.01 A 42 PHE HBy H 1 3.026 0.01 A 42 PHE HBx H 1 2.838 0.01 A 42 PHE C C 13 173.355 0.01 A 42 PHE CA C 13 58.67 0.01 A 42 PHE CB C 13 39.88 0.01 A 42 PHE N N 15 112.993 0.01 A 43 LYS H H 1 7.483 0.01 A 43 LYS HA H 1 3.849 0.01 A 43 LYS HBy H 1 1.898 0.01 A 43 LYS HBx H 1 1.702 0.01 A 43 LYS HDy H 1 1.543 0.01 A 43 LYS HDx H 1 1.542 0.01 A 43 LYS HEx H 1 2.861 0.01 A 43 LYS HEy H 1 2.861 0.01 A 43 LYS HGy H 1 1.188 0.01 A 43 LYS HGx H 1 1.187 0.01 A 43 LYS C C 13 174.55 0.01 A 43 LYS CA C 13 57.19 0.01 A 43 LYS CB C 13 29.01 0.01 A 43 LYS CD C 13 29.584 0.01 A 43 LYS CE C 13 42.756 0.01 A 43 LYS CG C 13 25.272 0.01 A 43 LYS N N 15 119.006 0.01 A 44 LEU H H 1 7.934 0.01 A 44 LEU HA H 1 4.627 0.01 A 44 LEU HBy H 1 1.287 0.01 A 44 LEU HBx H 1 1.228 0.01 A 44 LEU HDx% H 1 0.153 0.01 A 44 LEU HDy% H 1 0.244 0.01 A 44 LEU HG H 1 1.181 0.01 A 44 LEU C C 13 176.135 0.01 A 44 LEU CA C 13 54.01 0.01 A 44 LEU CB C 13 44.92 0.01 A 44 LEU CDy C 13 25.699 0.01 A 44 LEU CDx C 13 25.307 0.01 A 44 LEU CG C 13 26.295 0.01 A 44 LEU N N 15 116.643 0.01 A 45 THR H H 1 8.137 0.01 A 45 THR HA H 1 4.366 0.01 A 45 THR HB H 1 3.915 0.01 A 45 THR HG2% H 1 1.047 0.01 A 45 THR C C 13 173.508 0.01 A 45 THR CA C 13 62.47 0.01 A 45 THR CB C 13 70.34 0.01 A 45 THR CG2 C 13 22.023 0.01 A 45 THR N N 15 115.375 0.01 A 46 ILE H H 1 8.232 0.01 A 46 ILE HA H 1 4.094 0.01 A 46 ILE HB H 1 1.424 0.01 A 46 ILE HD1% H 1 0.524 0.01 A 46 ILE HG1y H 1 0.588 0.01 A 46 ILE HG2% H 1 0.887 0.01 A 46 ILE C C 13 175.255 0.01 A 46 ILE CA C 13 61.2 0.01 A 46 ILE CB C 13 40.85 0.01 A 46 ILE CD1 C 13 13.858 0.01 A 46 ILE CG1 C 13 28.47 0.01 A 46 ILE CG2 C 13 18.456 0.01 A 46 ILE N N 15 126.127 0.01 A 47 GLY H H 1 8.384 0.01 A 47 GLY C C 13 172.244 0.01 A 47 GLY CA C 13 45.05 0.01 A 47 GLY N N 15 113.138 0.01 A 48 GLU H H 1 7.969 0.01 A 48 GLU C C 13 176.004 0.01 A 48 GLU CA C 13 56.02 0.01 A 48 GLU CB C 13 29.38 0.01 A 48 GLU N N 15 116.754 0.01 A 49 TYR H H 1 8.266 0.01 A 49 TYR C C 13 175.358 0.01 A 49 TYR CA C 13 58.42 0.01 A 49 TYR CB C 13 39.37 0.01 A 49 TYR N N 15 123.188 0.01 A 50 SER H H 1 7.347 0.01 A 50 SER HA H 1 4.154 0.01 A 50 SER HBx H 1 3.437 0.01 A 50 SER HBy H 1 3.674 0.01 A 50 SER C C 13 173.787 0.01 A 50 SER CA C 13 56.51 0.01 A 50 SER CB C 13 64.8 0.01 A 50 SER N N 15 120.449 0.01 A 51 GLU H H 1 8.46 0.01 A 51 GLU C C 13 174.579 0.01 A 51 GLU CA C 13 58.4 0.01 A 51 GLU CB C 13 27.93 0.01 A 51 GLU N N 15 124.126 0.01 A 52 ARG H H 1 7.913 0.01 A 52 ARG HA H 1 4.009 0.01 A 52 ARG HBy H 1 1.609 0.01 A 52 ARG HBx H 1 1.608 0.01 A 52 ARG HDy H 1 3.03 0.01 A 52 ARG HDx H 1 3.029 0.01 A 52 ARG HE H 1 7.064 0.01 A 52 ARG HGy H 1 1.491 0.01 A 52 ARG HGx H 1 1.429 0.01 A 52 ARG C C 13 177.247 0.01 A 52 ARG CA C 13 58 0.01 A 52 ARG CB C 13 31.33 0.01 A 52 ARG CD C 13 43.459 0.01 A 52 ARG CG C 13 27.894 0.01 A 52 ARG N N 15 115.993 0.01 A 52 ARG NE N 15 84.104 0.01 A 53 GLU H H 1 7.406 0.01 A 53 GLU C C 13 176.233 0.01 A 53 GLU CA C 13 55.34 0.01 A 53 GLU N N 15 114.247 0.01 A 54 GLY H H 1 8.078 0.01 A 54 GLY HAx H 1 3.342 0.01 A 54 GLY HAy H 1 3.669 0.01 A 54 GLY CA C 13 46.77 0.01 A 54 GLY N N 15 112.373 0.01 A 56 LYS C C 13 174.269 0.01 A 57 GLY H H 1 8.053 0.01 A 57 GLY HAx H 1 3.41 0.01 A 57 GLY HAy H 1 3.733 0.01 A 57 GLY C C 13 174.196 0.01 A 57 GLY CA C 13 45.6 0.01 A 57 GLY N N 15 107.999 0.01 A 58 SER H H 1 8.016 0.01 A 58 SER HA H 1 4.209 0.01 A 58 SER HBy H 1 3.651 0.01 A 58 SER HBx H 1 3.614 0.01 A 58 SER C C 13 174.582 0.01 A 58 SER CA C 13 58.73 0.01 A 58 SER CB C 13 64.07 0.01 A 58 SER N N 15 115.126 0.01 A 59 GLU H H 1 8.435 0.01 A 59 GLU C C 13 175.837 0.01 A 59 GLU CA C 13 55.27 0.01 A 59 GLU CB C 13 28.62 0.01 A 59 GLU N N 15 119.746 0.01 A 60 TYR H H 1 7.732 0.01 A 60 TYR HA H 1 4.928 0.01 A 60 TYR HBy H 1 2.443 0.01 A 60 TYR HBx H 1 2.358 0.01 A 60 TYR HDx H 1 6.84 0.01 A 60 TYR HDy H 1 6.84 0.01 A 60 TYR HEx H 1 6.651 0.01 A 60 TYR HEy H 1 6.651 0.01 A 60 TYR C C 13 174.264 0.01 A 60 TYR CA C 13 57.13 0.01 A 60 TYR CB C 13 42.45 0.01 A 60 TYR CDx C 13 130.668 0.01 A 60 TYR CEx C 13 115.763 0.01 A 60 TYR N N 15 114.738 0.01 A 61 ALA H H 1 9.07 0.01 A 61 ALA HA H 1 4.554 0.01 A 61 ALA HB% H 1 0.956 0.01 A 61 ALA CA C 13 48.17 0.01 A 61 ALA CB C 13 21.26 0.01 A 61 ALA N N 15 122.622 0.01 A 62 PRO HA H 1 4.565 0.01 A 62 PRO HBy H 1 1.626 0.01 A 62 PRO HBx H 1 1.494 0.01 A 62 PRO HDy H 1 2.975 0.01 A 62 PRO HDx H 1 2.449 0.01 A 62 PRO HGy H 1 2.163 0.01 A 62 PRO HGx H 1 1.555 0.01 A 62 PRO C C 13 174.112 0.01 A 62 PRO CA C 13 62.27 0.01 A 62 PRO CB C 13 30.8 0.01 A 62 PRO CD C 13 49.69 0.01 A 62 PRO CG C 13 28.069 0.01 A 63 THR H H 1 8.545 0.01 A 63 THR HA H 1 5.546 0.01 A 63 THR HB H 1 4.278 0.01 A 63 THR HG2% H 1 1.072 0.01 A 63 THR C C 13 172.855 0.01 A 63 THR CA C 13 60.48 0.01 A 63 THR CB C 13 73.42 0.01 A 63 THR CG2 C 13 22.789 0.01 A 63 THR N N 15 116.92 0.01 A 64 TYR H H 1 9.909 0.01 A 64 TYR C C 13 170.694 0.01 A 64 TYR CA C 13 55.79 0.01 A 64 TYR CB C 13 42.61 0.01 A 64 TYR N N 15 118.754 0.01 A 65 GLU H H 1 7.812 0.01 A 65 GLU HA H 1 4.053 0.01 A 65 GLU HBy H 1 0.921 0.01 A 65 GLU HBx H 1 -0.647 0.01 A 65 GLU HGy H 1 2.095 0.01 A 65 GLU HGx H 1 0.673 0.01 A 65 GLU C C 13 175.823 0.01 A 65 GLU CA C 13 52.31 0.01 A 65 GLU CB C 13 30.23 0.01 A 65 GLU CG C 13 31.994 0.01 A 65 GLU N N 15 121.754 0.01 A 66 ASP H H 1 8.245 0.01 A 66 ASP HA H 1 5.112 0.01 A 66 ASP HBx H 1 2.521 0.01 A 66 ASP HBy H 1 3.262 0.01 A 66 ASP C C 13 177.262 0.01 A 66 ASP CA C 13 51.85 0.01 A 66 ASP CB C 13 40.69 0.01 A 66 ASP N N 15 125.138 0.01 A 67 LYS H H 1 8.102 0.01 A 67 LYS C C 13 176.46 0.01 A 67 LYS CA C 13 58.97 0.01 A 67 LYS CB C 13 32.29 0.01 A 67 LYS N N 15 117.94 0.01 A 68 ASP H H 1 7.66 0.01 A 68 ASP HA H 1 4.559 0.01 A 68 ASP HBy H 1 2.826 0.01 A 68 ASP HBx H 1 2.609 0.01 A 68 ASP C C 13 175.211 0.01 A 68 ASP CA C 13 53.52 0.01 A 68 ASP CB C 13 39.04 0.01 A 68 ASP N N 15 116.739 0.01 A 69 GLY H H 1 7.786 0.01 A 69 GLY HAx H 1 3.636 0.01 A 69 GLY HAy H 1 4.017 0.01 A 69 GLY C C 13 173.494 0.01 A 69 GLY CA C 13 45.18 0.01 A 69 GLY N N 15 107.127 0.01 A 70 ASP H H 1 7.57 0.01 A 70 ASP HA H 1 4.687 0.01 A 70 ASP HBx H 1 2.453 0.01 A 70 ASP HBy H 1 2.612 0.01 A 70 ASP C C 13 173.815 0.01 A 70 ASP CA C 13 52.94 0.01 A 70 ASP CB C 13 40.24 0.01 A 70 ASP N N 15 118.511 0.01 A 71 TRP H H 1 8.422 0.01 A 71 TRP HA H 1 5.013 0.01 A 71 TRP HBy H 1 2.794 0.01 A 71 TRP HBx H 1 2.793 0.01 A 71 TRP HD1 H 1 7.153 0.01 A 71 TRP HE1 H 1 9.881 0.01 A 71 TRP HE3 H 1 6.627 0.01 A 71 TRP HZ2 H 1 7.139 0.01 A 71 TRP C C 13 176.124 0.01 A 71 TRP CA C 13 56.78 0.01 A 71 TRP CB C 13 30.35 0.01 A 71 TRP CD1 C 13 124.93 0.01 A 71 TRP CE3 C 13 119.866 0.01 A 71 TRP CZ2 C 13 111.755 0.01 A 71 TRP N N 15 122.005 0.01 A 71 TRP NE1 N 15 129.041 0.01 A 72 MET H H 1 8.971 0.01 A 72 MET HA H 1 4.606 0.01 A 72 MET HBy H 1 1.982 0.01 A 72 MET HBx H 1 1.038 0.01 A 72 MET HE% H 1 1.727 0.01 A 72 MET HGy H 1 2.107 0.01 A 72 MET HGx H 1 2.106 0.01 A 72 MET C C 13 175.077 0.01 A 72 MET CA C 13 54.08 0.01 A 72 MET CB C 13 36.31 0.01 A 72 MET CE C 13 17.598 0.01 A 72 MET CG C 13 32.728 0.01 A 72 MET N N 15 121.761 0.01 A 73 LEU H H 1 8.232 0.01 A 73 LEU HA H 1 4.476 0.01 A 73 LEU HBy H 1 1.812 0.01 A 73 LEU HBx H 1 1.409 0.01 A 73 LEU HDx% H 1 1.012 0.01 A 73 LEU HDy% H 1 0.868 0.01 A 73 LEU HG H 1 1.768 0.01 A 73 LEU C C 13 177.423 0.01 A 73 LEU CA C 13 55.43 0.01 A 73 LEU CB C 13 42.99 0.01 A 73 LEU CDy C 13 26.567 0.01 A 73 LEU CDx C 13 23.948 0.01 A 73 LEU CG C 13 27.279 0.01 A 73 LEU N N 15 119.378 0.01 A 74 VAL H H 1 8.015 0.01 A 74 VAL HA H 1 3.416 0.01 A 74 VAL HB H 1 1.691 0.01 A 74 VAL HGx% H 1 0.802 0.01 A 74 VAL HGy% H 1 0.379 0.01 A 74 VAL C C 13 175.199 0.01 A 74 VAL CA C 13 65.25 0.01 A 74 VAL CB C 13 31.93 0.01 A 74 VAL CGy C 13 24.387 0.01 A 74 VAL CGx C 13 22.344 0.01 A 74 VAL N N 15 121.624 0.01 A 75 GLY H H 1 8.337 0.01 A 75 GLY HAx H 1 1.628 0.01 A 75 GLY HAy H 1 3.241 0.01 A 75 GLY C C 13 173.65 0.01 A 75 GLY CA C 13 43.02 0.01 A 75 GLY N N 15 116.749 0.01 A 76 ASP H H 1 7.673 0.01 A 76 ASP HA H 1 4.315 0.01 A 76 ASP HBy H 1 2.839 0.01 A 76 ASP HBx H 1 2.838 0.01 A 76 ASP C C 13 174.609 0.01 A 76 ASP CA C 13 55.67 0.01 A 76 ASP CB C 13 40.16 0.01 A 76 ASP N N 15 118.899 0.01 A 77 VAL H H 1 7.228 0.01 A 77 VAL HA H 1 4.886 0.01 A 77 VAL HB H 1 2.339 0.01 A 77 VAL HGx% H 1 0.866 0.01 A 77 VAL HGy% H 1 0.779 0.01 A 77 VAL C C 13 176.924 0.01 A 77 VAL CA C 13 58.41 0.01 A 77 VAL CB C 13 33.272 0.01 A 77 VAL CGy C 13 21.677 0.01 A 77 VAL CGx C 13 18.2 0.01 A 77 VAL N N 15 111.126 0.01 A 78 PRO HA H 1 4.585 0.01 A 78 PRO HBy H 1 2.497 0.01 A 78 PRO HBx H 1 1.861 0.01 A 78 PRO HDy H 1 3.859 0.01 A 78 PRO HDx H 1 3.623 0.01 A 78 PRO HGy H 1 2.093 0.01 A 78 PRO HGx H 1 1.972 0.01 A 78 PRO CA C 13 64.063 0.01 A 78 PRO CB C 13 32.834 0.01 A 78 PRO CD C 13 51.724 0.01 A 78 PRO CG C 13 28.596 0.01 A 79 TRP H H 1 9.236 0.01 A 79 TRP HA H 1 3.917 0.01 A 79 TRP HBy H 1 3.02 0.01 A 79 TRP HBx H 1 2.903 0.01 A 79 TRP HD1 H 1 6.936 0.01 A 79 TRP HE1 H 1 9.852 0.01 A 79 TRP HE3 H 1 6.827 0.01 A 79 TRP HZ2 H 1 7.549 0.01 A 79 TRP HZ3 H 1 6.183 0.01 A 79 TRP C C 13 176.301 0.01 A 79 TRP CA C 13 61.007 0.01 A 79 TRP CB C 13 30.04 0.01 A 79 TRP CD1 C 13 124.494 0.01 A 79 TRP CE3 C 13 119.62 0.01 A 79 TRP CZ2 C 13 112.984 0.01 A 79 TRP CZ3 C 13 118.543 0.01 A 79 TRP N N 15 125.757 0.01 A 79 TRP NE1 N 15 129.504 0.01 A 80 ASP H H 1 8.958 0.01 A 80 ASP HA H 1 3.996 0.01 A 80 ASP HBx H 1 2.721 0.01 A 80 ASP HBy H 1 2.771 0.01 A 80 ASP C C 13 177.23 0.01 A 80 ASP CA C 13 56.47 0.01 A 80 ASP CB C 13 37.68 0.01 A 80 ASP N N 15 112.754 0.01 A 81 MET H H 1 7.184 0.01 A 81 MET HA H 1 4.148 0.01 A 81 MET HBy H 1 2.017 0.01 A 81 MET HBx H 1 1.963 0.01 A 81 MET HE% H 1 1.983 0.01 A 81 MET HGy H 1 2.469 0.01 A 81 MET HGx H 1 2.382 0.01 A 81 MET C C 13 177.854 0.01 A 81 MET CA C 13 57.07 0.01 A 81 MET CB C 13 32.96 0.01 A 81 MET CE C 13 17.43 0.01 A 81 MET CG C 13 32.52 0.01 A 81 MET N N 15 117.746 0.01 A 82 PHE H H 1 7.838 0.01 A 82 PHE HA H 1 3.635 0.01 A 82 PHE HBy H 1 2.859 0.01 A 82 PHE HBx H 1 2.726 0.01 A 82 PHE HDx H 1 5.791 0.01 A 82 PHE HDy H 1 5.791 0.01 A 82 PHE HEx H 1 6.301 0.01 A 82 PHE HEy H 1 6.301 0.01 A 82 PHE HZ H 1 6.696 0.01 A 82 PHE C C 13 176.468 0.01 A 82 PHE CA C 13 60.5 0.01 A 82 PHE CB C 13 40.44 0.01 A 82 PHE CDy C 13 129.89 0.01 A 82 PHE CEy C 13 128.2 0.01 A 82 PHE CZ C 13 125.5 0.01 A 82 PHE N N 15 124.743 0.01 A 83 VAL H H 1 7.598 0.01 A 83 VAL HA H 1 2.663 0.01 A 83 VAL HB H 1 1.358 0.01 A 83 VAL HGx% H 1 0.266 0.01 A 83 VAL HGy% H 1 0.22 0.01 A 83 VAL C C 13 176.42 0.01 A 83 VAL CA C 13 65.57 0.01 A 83 VAL CB C 13 31.36 0.01 A 83 VAL CGy C 13 21.912 0.01 A 83 VAL CGx C 13 21.523 0.01 A 83 VAL N N 15 114.749 0.01 A 84 THR H H 1 6.605 0.01 A 84 THR HA H 1 3.992 0.01 A 84 THR HB H 1 4.144 0.01 A 84 THR HG2% H 1 1.007 0.01 A 84 THR C C 13 175.046 0.01 A 84 THR CA C 13 62.5 0.01 A 84 THR CB C 13 69.36 0.01 A 84 THR CG2 C 13 22.342 0.01 A 84 THR N N 15 105.375 0.01 A 85 SER H H 1 7.266 0.01 A 85 SER HA H 1 4.357 0.01 A 85 SER HBx H 1 3.746 0.01 A 85 SER HBy H 1 3.823 0.01 A 85 SER C C 13 173.634 0.01 A 85 SER CA C 13 58.96 0.01 A 85 SER CB C 13 65.82 0.01 A 85 SER N N 15 115.125 0.01 A 86 CYS H H 1 7.431 0.01 A 86 CYS HA H 1 3.971 0.01 A 86 CYS HBy H 1 1.804 0.01 A 86 CYS HBx H 1 1.418 0.01 A 86 CYS C C 13 174.204 0.01 A 86 CYS CA C 13 60.17 0.01 A 86 CYS CB C 13 26.89 0.01 A 86 CYS N N 15 120.627 0.01 A 87 LYS H H 1 9.219 0.01 A 87 LYS HA H 1 4.388 0.01 A 87 LYS HBy H 1 1.533 0.01 A 87 LYS HBx H 1 1.279 0.01 A 87 LYS HDy H 1 1.533 0.01 A 87 LYS HDx H 1 1.279 0.01 A 87 LYS HEx H 1 2.741 0.01 A 87 LYS HEy H 1 2.741 0.01 A 87 LYS HGy H 1 1.146 0.01 A 87 LYS HGx H 1 1.145 0.01 A 87 LYS C C 13 176.304 0.01 A 87 LYS CA C 13 56.04 0.01 A 87 LYS CB C 13 34.23 0.01 A 87 LYS CD C 13 34.23 0.01 A 87 LYS CE C 13 43.499 0.01 A 87 LYS CG C 13 24.389 0.01 A 87 LYS N N 15 126.351 0.01 A 88 ARG H H 1 7.431 0.01 A 88 ARG HA H 1 4.463 0.01 A 88 ARG HBy H 1 1.837 0.01 A 88 ARG HBx H 1 1.836 0.01 A 88 ARG HDy H 1 3.264 0.01 A 88 ARG HDx H 1 3.123 0.01 A 88 ARG HE H 1 7.323 0.01 A 88 ARG HGy H 1 1.538 0.01 A 88 ARG HGx H 1 1.537 0.01 A 88 ARG C C 13 173.271 0.01 A 88 ARG CA C 13 56.52 0.01 A 88 ARG CB C 13 33.65 0.01 A 88 ARG CD C 13 43.895 0.01 A 88 ARG CG C 13 27.493 0.01 A 88 ARG N N 15 116.76 0.01 A 88 ARG NE N 15 84.133 0.01 A 89 LEU H H 1 8.842 0.01 A 89 LEU HA H 1 5.474 0.01 A 89 LEU HBy H 1 1.741 0.01 A 89 LEU HBx H 1 1.471 0.01 A 89 LEU HDx% H 1 1.006 0.01 A 89 LEU HDy% H 1 0.842 0.01 A 89 LEU HG H 1 1.624 0.01 A 89 LEU C C 13 175.719 0.01 A 89 LEU CA C 13 55.24 0.01 A 89 LEU CB C 13 47.88 0.01 A 89 LEU CDx C 13 26.559 0.01 A 89 LEU CDy C 13 27.801 0.01 A 89 LEU CG C 13 28.744 0.01 A 89 LEU N N 15 122.992 0.01 A 90 ARG H H 1 9.211 0.01 A 90 ARG HA H 1 5.186 0.01 A 90 ARG HBy H 1 1.528 0.01 A 90 ARG HBx H 1 1.527 0.01 A 90 ARG HDy H 1 2.472 0.01 A 90 ARG HDx H 1 2.471 0.01 A 90 ARG HGy H 1 1.289 0.01 A 90 ARG HGx H 1 1.222 0.01 A 90 ARG C C 13 175.355 0.01 A 90 ARG CA C 13 55.47 0.01 A 90 ARG CB C 13 35.42 0.01 A 90 ARG CD C 13 41.967 0.01 A 90 ARG CG C 13 29.838 0.01 A 90 ARG N N 15 123.476 0.01 A 91 ILE H H 1 9.184 0.01 A 91 ILE HA H 1 4.199 0.01 A 91 ILE HB H 1 1.459 0.01 A 91 ILE HD1% H 1 0.252 0.01 A 91 ILE HG1y H 1 0.524 0.01 A 91 ILE HG2% H 1 0.439 0.01 A 91 ILE CA C 13 61.22 0.01 A 91 ILE CB C 13 36.86 0.01 A 91 ILE CD1 C 13 13.514 0.01 A 91 ILE CG1 C 13 27.622 0.01 A 91 ILE CG2 C 13 19.009 0.01 A 91 ILE N N 15 130.458 0.01 A 92 MET H H 1 8.292 0.01 A 92 MET HA H 1 4.533 0.01 A 92 MET HBy H 1 1.853 0.01 A 92 MET HBx H 1 1.713 0.01 A 92 MET HE% H 1 1.609 0.01 A 92 MET HGy H 1 2.217 0.01 A 92 MET HGx H 1 1.884 0.01 A 92 MET C C 13 175.662 0.01 A 92 MET CA C 13 54.35 0.01 A 92 MET CB C 13 36.07 0.01 A 92 MET CE C 13 16.701 0.01 A 92 MET CG C 13 31.878 0.01 A 92 MET N N 15 126.564 0.01 A 93 LYS H H 1 8.687 0.01 A 93 LYS HA H 1 4.15 0.01 A 93 LYS HBy H 1 1.693 0.01 A 93 LYS HBx H 1 1.498 0.01 A 93 LYS HDy H 1 1.439 0.01 A 93 LYS HDx H 1 1.438 0.01 A 93 LYS HEx H 1 2.786 0.01 A 93 LYS HEy H 1 2.786 0.01 A 93 LYS HGy H 1 1.183 0.01 A 93 LYS HGx H 1 1.182 0.01 A 93 LYS C C 13 177.854 0.01 A 93 LYS CA C 13 57.13 0.01 A 93 LYS CB C 13 33.26 0.01 A 93 LYS CD C 13 29.592 0.01 A 93 LYS CE C 13 42.356 0.01 A 93 LYS CG C 13 25.838 0.01 A 93 LYS N N 15 123.239 0.01 A 94 GLY H H 1 8.391 0.01 A 94 GLY HAx H 1 3.56 0.01 A 94 GLY HAy H 1 3.773 0.01 A 94 GLY C C 13 175.089 0.01 A 94 GLY CA C 13 46.75 0.01 A 94 GLY N N 15 113.128 0.01 A 95 THR H H 1 7.876 0.01 A 95 THR HA H 1 3.991 0.01 A 95 THR HB H 1 4.053 0.01 A 95 THR HG2% H 1 1.054 0.01 A 95 THR C C 13 175.576 0.01 A 95 THR CA C 13 63.55 0.01 A 95 THR CB C 13 69.14 0.01 A 95 THR CG2 C 13 22.385 0.01 A 95 THR N N 15 111.87 0.01 A 96 GLU H H 1 7.65 0.01 A 96 GLU HA H 1 4.157 0.01 A 96 GLU HBy H 1 1.879 0.01 A 96 GLU HBx H 1 1.528 0.01 A 96 GLU C C 13 176.443 0.01 A 96 GLU CA C 13 56.71 0.01 A 96 GLU CB C 13 29.29 0.01 A 96 GLU N N 15 121.073 0.01 A 97 ALA H H 1 7.821 0.01 A 97 ALA HA H 1 4.088 0.01 A 97 ALA HB% H 1 1.171 0.01 A 97 ALA C C 13 177.768 0.01 A 97 ALA CA C 13 53.06 0.01 A 97 ALA CB C 13 19.03 0.01 A 97 ALA N N 15 123.261 0.01 A 98 LYS H H 1 7.734 0.01 A 98 LYS HA H 1 4.045 0.01 A 98 LYS HBy H 1 1.668 0.01 A 98 LYS HBx H 1 1.667 0.01 A 98 LYS HDy H 1 1.527 0.01 A 98 LYS HDx H 1 1.526 0.01 A 98 LYS HEx H 1 2.837 0.01 A 98 LYS HEy H 1 2.837 0.01 A 98 LYS HGy H 1 1.303 0.01 A 98 LYS HGx H 1 1.274 0.01 A 98 LYS C C 13 177.403 0.01 A 98 LYS CA C 13 57.76 0.01 A 98 LYS CB C 13 33.15 0.01 A 98 LYS CD C 13 29.553 0.01 A 98 LYS CE C 13 42.837 0.01 A 98 LYS CG C 13 25.025 0.01 A 98 LYS N N 15 119.237 0.01 A 99 GLY H H 1 8.155 0.01 A 99 GLY HAx H 1 3.763 0.01 A 99 GLY HAy H 1 3.866 0.01 A 99 GLY C C 13 174.489 0.01 A 99 GLY CA C 13 45.77 0.01 A 99 GLY N N 15 108.866 0.01 A 100 LEU H H 1 7.724 0.01 A 100 LEU HA H 1 4.19 0.01 A 100 LEU HBy H 1 1.637 0.01 A 100 LEU HBx H 1 1.577 0.01 A 100 LEU HDx% H 1 0.674 0.01 A 100 LEU HDy% H 1 0.7 0.01 A 100 LEU HG H 1 1.495 0.01 A 100 LEU C C 13 178.026 0.01 A 100 LEU CA C 13 55.59 0.01 A 100 LEU CB C 13 42.39 0.01 A 100 LEU CDx C 13 23.648 0.01 A 100 LEU CDy C 13 25.57 0.01 A 100 LEU CG C 13 27.319 0.01 A 100 LEU N N 15 120.75 0.01 A 101 GLY H H 1 8.344 0.01 A 101 GLY HAx H 1 3.89 0.01 A 101 GLY HAy H 1 3.891 0.01 A 101 GLY C C 13 174.239 0.01 A 101 GLY CA C 13 45.8 0.01 A 101 GLY N N 15 108.889 0.01 A 102 CYS H H 1 8.117 0.01 A 102 CYS HA H 1 4.428 0.01 A 102 CYS HBy H 1 2.788 0.01 A 102 CYS HBx H 1 2.787 0.01 A 102 CYS C C 13 175.049 0.01 A 102 CYS CA C 13 58.97 0.01 A 102 CYS CB C 13 28.5 0.01 A 102 CYS N N 15 117.967 0.01 A 103 GLY H H 1 8.446 0.01 A 103 GLY HAx H 1 3.886 0.01 A 103 GLY HAy H 1 3.887 0.01 A 103 GLY C C 13 174.261 0.01 A 103 GLY CA C 13 45.71 0.01 A 103 GLY N N 15 111.119 0.01 A 104 VAL H H 1 7.977 0.01 A 104 VAL HA H 1 3.975 0.01 A 104 VAL HB H 1 1.955 0.01 A 104 VAL HGx% H 1 0.783 0.01 A 104 VAL HGy% H 1 0.783 0.01 A 104 VAL C C 13 176.919 0.01 A 104 VAL CA C 13 62.97 0.01 A 104 VAL CB C 13 32.77 0.01 A 104 VAL CGy C 13 21.446 0.01 A 104 VAL CGx C 13 20.652 0.01 A 104 VAL N N 15 119.247 0.01 A 105 GLY H H 1 8.468 0.01 A 105 GLY HAx H 1 3.854 0.01 A 105 GLY HAy H 1 3.965 0.01 A 105 GLY C C 13 173.942 0.01 A 105 GLY CA C 13 45.57 0.01 A 105 GLY N N 15 112.295 0.01 A 106 SER H H 1 7.861 0.01 A 106 SER HA H 1 4.474 0.01 A 106 SER HBx H 1 3.868 0.01 A 106 SER HBy H 1 4.008 0.01 A 106 SER CA C 13 57.73 0.01 A 106 SER CB C 13 65.1 0.01 A 106 SER N N 15 114.624 0.01 A 107 HIS H H 1 8.925 0.01 A 107 HIS HA H 1 3.921 0.01 A 107 HIS HBy H 1 1.918 0.01 A 107 HIS HBx H 1 1.800 0.01 A 107 HIS HD2 H 1 7.725 0.01 A 107 HIS HE1 H 1 6.828 0.01 A 107 HIS CA C 13 58.154 0.01 A 107 HIS N N 15 126.528 0.01 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 save_