data_25744 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25744 _Entry.PDB_ID 2N5Z save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 25744 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 4 4 GLY N N 4 110.205 110.205 109.992 0.213 25744 2 1 1 . 1 1 4 4 GLY CA C 4 44.519 44.519 44.398 0.121 25744 3 1 1 . 1 1 4 4 GLY H H 4 8.067 8.067 8.103 -0.036 25744 4 1 1 . 1 1 5 5 PRO CA C 5 63.030 63.030 62.490 0.540 25744 5 1 1 . 1 1 5 5 PRO CB C 5 32.458 32.458 32.594 -0.136 25744 6 1 1 . 1 1 6 6 SER N N 6 116.630 116.630 119.612 -2.982 25744 7 1 1 . 1 1 6 6 SER CA C 6 56.015 56.015 57.717 -1.702 25744 8 1 1 . 1 1 6 6 SER CB C 6 63.363 63.363 63.406 -0.043 25744 9 1 1 . 1 1 6 6 SER H H 6 8.304 8.304 8.449 -0.145 25744 10 1 1 . 1 1 7 7 PRO CA C 7 62.430 62.430 63.034 -0.604 25744 11 1 1 . 1 1 7 7 PRO CB C 7 30.960 30.960 32.028 -1.068 25744 12 1 1 . 1 1 8 8 ASN N N 8 120.122 120.122 121.454 -1.332 25744 13 1 1 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.362 -1.562 25744 14 1 1 . 1 1 8 8 ASN CB C 8 36.222 36.222 39.517 -3.295 25744 15 1 1 . 1 1 8 8 ASN H H 8 8.667 8.667 8.549 0.118 25744 16 1 1 . 1 1 9 9 TRP N N 9 123.684 123.684 126.647 -2.963 25744 17 1 1 . 1 1 9 9 TRP CA C 9 59.215 59.215 60.635 -1.420 25744 18 1 1 . 1 1 9 9 TRP CB C 9 30.780 30.780 29.812 0.968 25744 19 1 1 . 1 1 9 9 TRP H H 9 7.691 7.691 9.041 -1.350 25744 20 1 1 . 1 1 10 10 ASP N N 10 118.132 118.132 119.676 -1.544 25744 21 1 1 . 1 1 10 10 ASP CA C 10 58.622 58.622 57.332 1.290 25744 22 1 1 . 1 1 10 10 ASP CB C 10 40.844 40.844 40.894 -0.050 25744 23 1 1 . 1 1 10 10 ASP H H 10 8.320 8.320 8.114 0.206 25744 24 1 1 . 1 1 11 11 ALA N N 11 124.299 124.299 122.663 1.636 25744 25 1 1 . 1 1 11 11 ALA CA C 11 54.593 54.593 54.985 -0.392 25744 26 1 1 . 1 1 11 11 ALA CB C 11 18.681 18.681 18.698 -0.017 25744 27 1 1 . 1 1 11 11 ALA H H 11 7.395 7.395 8.571 -1.176 25744 28 1 1 . 1 1 12 12 VAL N N 12 120.997 120.997 117.877 3.120 25744 29 1 1 . 1 1 12 12 VAL CA C 12 66.682 66.682 65.788 0.894 25744 30 1 1 . 1 1 12 12 VAL CB C 12 31.481 31.481 30.345 1.136 25744 31 1 1 . 1 1 12 12 VAL H H 12 7.464 7.464 7.931 -0.467 25744 32 1 1 . 1 1 13 13 ALA N N 13 121.205 121.205 121.737 -0.532 25744 33 1 1 . 1 1 13 13 ALA CA C 13 54.711 54.711 55.123 -0.412 25744 34 1 1 . 1 1 13 13 ALA CB C 13 18.918 18.918 17.784 1.134 25744 35 1 1 . 1 1 13 13 ALA H H 13 8.523 8.523 7.816 0.707 25744 36 1 1 . 1 1 14 14 GLN N N 14 120.926 120.926 115.452 5.474 25744 37 1 1 . 1 1 14 14 GLN CA C 14 58.978 58.978 57.464 1.514 25744 38 1 1 . 1 1 14 14 GLN CB C 14 27.689 27.689 28.577 -0.888 25744 39 1 1 . 1 1 14 14 GLN H H 14 8.046 8.046 7.985 0.061 25744 40 1 1 . 1 1 15 15 CYS N N 15 118.916 118.916 117.667 1.249 25744 41 1 1 . 1 1 15 15 CYS CA C 15 59.334 59.334 59.262 0.072 25744 42 1 1 . 1 1 15 15 CYS CB C 15 35.748 35.748 28.415 7.333 25744 43 1 1 . 1 1 15 15 CYS H H 15 7.108 7.108 7.753 -0.645 25744 44 1 1 . 1 1 16 16 GLU N N 16 120.227 120.227 119.071 1.156 25744 45 1 1 . 1 1 16 16 GLU CA C 16 58.978 58.978 57.821 1.157 25744 46 1 1 . 1 1 16 16 GLU CB C 16 30.051 30.051 30.913 -0.862 25744 47 1 1 . 1 1 16 16 GLU H H 16 8.776 8.776 8.171 0.605 25744 48 1 1 . 1 1 17 17 SER N N 17 109.577 109.577 113.518 -3.941 25744 49 1 1 . 1 1 17 17 SER CA C 17 57.771 57.771 58.465 -0.694 25744 50 1 1 . 1 1 17 17 SER CB C 17 66.563 66.563 64.354 2.209 25744 51 1 1 . 1 1 17 17 SER H H 17 8.467 8.467 8.257 0.210 25744 52 1 1 . 1 1 18 18 GLY N N 18 113.669 113.669 109.953 3.716 25744 53 1 1 . 1 1 18 18 GLY CA C 18 46.652 46.652 45.983 0.669 25744 54 1 1 . 1 1 18 18 GLY H H 18 7.598 7.598 7.865 -0.267 25744 55 1 1 . 1 1 19 19 GLY N N 19 106.884 106.884 108.010 -1.126 25744 56 1 1 . 1 1 19 19 GLY CA C 19 45.467 45.467 45.288 0.179 25744 57 1 1 . 1 1 19 19 GLY H H 19 7.476 7.476 8.080 -0.604 25744 58 1 1 . 1 1 20 20 ASN N N 20 116.428 116.428 120.209 -3.781 25744 59 1 1 . 1 1 20 20 ASN CA C 20 50.445 50.445 52.291 -1.845 25744 60 1 1 . 1 1 20 20 ASN CB C 20 38.510 38.510 40.928 -2.418 25744 61 1 1 . 1 1 20 20 ASN H H 20 6.580 6.580 7.994 -1.414 25744 62 1 1 . 1 1 21 21 TRP N N 21 124.313 124.313 124.643 -0.330 25744 63 1 1 . 1 1 21 21 TRP CA C 21 60.400 60.400 61.937 -1.537 25744 64 1 1 . 1 1 21 21 TRP CB C 21 27.689 27.689 29.381 -1.692 25744 65 1 1 . 1 1 21 21 TRP H H 21 8.262 8.262 8.939 -0.677 25744 66 1 1 . 1 1 22 22 ALA N N 22 120.192 120.192 118.608 1.584 25744 67 1 1 . 1 1 22 22 ALA CA C 22 50.208 50.208 52.536 -2.328 25744 68 1 1 . 1 1 22 22 ALA CB C 22 19.037 19.037 18.210 0.827 25744 69 1 1 . 1 1 22 22 ALA H H 22 7.668 7.668 7.919 -0.251 25744 70 1 1 . 1 1 23 23 ALA N N 23 121.314 121.314 122.457 -1.143 25744 71 1 1 . 1 1 23 23 ALA CA C 23 54.711 54.711 52.603 2.108 25744 72 1 1 . 1 1 23 23 ALA CB C 23 18.701 18.701 17.586 1.115 25744 73 1 1 . 1 1 23 23 ALA H H 23 6.929 6.929 7.586 -0.657 25744 74 1 1 . 1 1 24 24 ASN N N 24 119.494 119.494 118.545 0.949 25744 75 1 1 . 1 1 24 24 ASN CA C 24 52.459 52.459 52.996 -0.537 25744 76 1 1 . 1 1 24 24 ASN CB C 24 37.170 37.170 36.760 0.410 25744 77 1 1 . 1 1 24 24 ASN H H 24 8.678 8.678 8.668 0.010 25744 78 1 1 . 1 1 25 25 THR N N 25 113.697 113.697 109.247 4.450 25744 79 1 1 . 1 1 25 25 THR CA C 25 61.941 61.941 61.813 0.128 25744 80 1 1 . 1 1 25 25 THR CB C 25 69.171 69.171 68.867 0.304 25744 81 1 1 . 1 1 25 25 THR H H 25 9.174 9.174 8.027 1.147 25744 82 1 1 . 1 1 26 26 GLY N N 26 110.554 110.554 112.357 -1.803 25744 83 1 1 . 1 1 26 26 GLY CA C 26 45.822 45.822 45.134 0.688 25744 84 1 1 . 1 1 26 26 GLY H H 26 8.381 8.381 8.206 0.175 25744 85 1 1 . 1 1 27 27 ASN N N 27 118.272 118.272 119.702 -1.430 25744 86 1 1 . 1 1 27 27 ASN CA C 27 51.985 51.985 52.057 -0.072 25744 87 1 1 . 1 1 27 27 ASN CB C 27 37.436 37.436 38.172 -0.736 25744 88 1 1 . 1 1 27 27 ASN H H 27 7.718 7.718 8.120 -0.402 25744 89 1 1 . 1 1 28 28 GLY N N 28 108.669 108.669 106.935 1.734 25744 90 1 1 . 1 1 28 28 GLY CA C 28 45.348 45.348 45.974 -0.625 25744 91 1 1 . 1 1 28 28 GLY H H 28 8.287 8.287 7.469 0.818 25744 92 1 1 . 1 1 29 29 LYS N N 29 116.881 116.881 118.543 -1.662 25744 93 1 1 . 1 1 29 29 LYS CA C 29 54.119 54.119 54.913 -0.794 25744 94 1 1 . 1 1 29 29 LYS CB C 29 35.184 35.184 35.056 0.128 25744 95 1 1 . 1 1 29 29 LYS H H 29 7.256 7.256 7.415 -0.159 25744 96 1 1 . 1 1 30 30 TYR N N 30 115.548 115.548 118.477 -2.929 25744 97 1 1 . 1 1 30 30 TYR CA C 30 58.148 58.148 57.313 0.834 25744 98 1 1 . 1 1 30 30 TYR CB C 30 44.163 44.163 41.877 2.286 25744 99 1 1 . 1 1 30 30 TYR H H 30 8.421 8.421 8.140 0.281 25744 100 1 1 . 1 1 31 31 GLY N N 31 110.774 110.774 108.802 1.972 25744 101 1 1 . 1 1 31 31 GLY CA C 31 44.767 44.767 45.770 -1.003 25744 102 1 1 . 1 1 31 31 GLY H H 31 9.969 9.969 8.955 1.014 25744 103 1 1 . 1 1 32 32 GLY N N 32 109.262 109.262 106.486 2.776 25744 104 1 1 . 1 1 32 32 GLY CA C 32 46.193 46.193 45.544 0.649 25744 105 1 1 . 1 1 32 32 GLY H H 32 9.008 9.008 8.207 0.801 25744 106 1 1 . 1 1 33 33 LEU N N 33 115.269 115.269 118.551 -3.282 25744 107 1 1 . 1 1 33 33 LEU CA C 33 52.815 52.815 53.487 -0.672 25744 108 1 1 . 1 1 33 33 LEU CB C 33 41.556 41.556 42.497 -0.941 25744 109 1 1 . 1 1 33 33 LEU H H 33 7.843 7.843 7.452 0.391 25744 110 1 1 . 1 1 34 34 GLN N N 34 112.176 112.176 117.431 -5.255 25744 111 1 1 . 1 1 34 34 GLN CA C 34 55.304 55.304 56.956 -1.652 25744 112 1 1 . 1 1 34 34 GLN CB C 34 27.333 27.333 27.627 -0.294 25744 113 1 1 . 1 1 34 34 GLN H H 34 7.321 7.321 8.164 -0.843 25744 114 1 1 . 1 1 35 35 PHE N N 35 116.246 116.246 120.229 -3.983 25744 115 1 1 . 1 1 35 35 PHE CA C 35 59.334 59.334 56.341 2.993 25744 116 1 1 . 1 1 35 35 PHE CB C 35 41.793 41.793 40.215 1.578 25744 117 1 1 . 1 1 35 35 PHE H H 35 7.708 7.708 8.015 -0.307 25744 118 1 1 . 1 1 36 36 LYS N N 36 122.039 122.039 128.296 -6.257 25744 119 1 1 . 1 1 36 36 LYS CA C 36 54.711 54.711 56.295 -1.584 25744 120 1 1 . 1 1 36 36 LYS CB C 36 32.193 32.193 31.914 0.279 25744 121 1 1 . 1 1 36 36 LYS H H 36 9.110 9.110 8.505 0.605 25744 122 1 1 . 1 1 37 37 PRO CA C 37 66.626 66.626 65.637 0.989 25744 123 1 1 . 1 1 37 37 PRO CB C 37 32.234 32.234 31.922 0.312 25744 124 1 1 . 1 1 39 39 THR N N 39 115.976 115.976 114.697 1.279 25744 125 1 1 . 1 1 39 39 THR CA C 39 65.971 65.971 65.678 0.293 25744 126 1 1 . 1 1 39 39 THR CB C 39 69.550 69.550 68.350 1.200 25744 127 1 1 . 1 1 39 39 THR H H 39 7.046 7.046 7.415 -0.369 25744 128 1 1 . 1 1 40 40 TRP N N 40 120.053 120.053 123.635 -3.582 25744 129 1 1 . 1 1 40 40 TRP CA C 40 60.163 60.163 59.745 0.418 25744 130 1 1 . 1 1 40 40 TRP CB C 40 30.317 30.317 29.563 0.754 25744 131 1 1 . 1 1 40 40 TRP H H 40 7.810 7.810 8.146 -0.336 25744 132 1 1 . 1 1 41 41 ALA N N 41 117.049 117.049 121.945 -4.896 25744 133 1 1 . 1 1 41 41 ALA CA C 41 54.119 54.119 55.053 -0.934 25744 134 1 1 . 1 1 41 41 ALA CB C 41 18.800 18.800 17.775 1.025 25744 135 1 1 . 1 1 41 41 ALA H H 41 8.117 8.117 8.574 -0.457 25744 136 1 1 . 1 1 42 42 ALA N N 42 120.416 120.416 121.788 -1.372 25744 137 1 1 . 1 1 42 42 ALA CA C 42 53.408 53.408 54.701 -1.293 25744 138 1 1 . 1 1 42 42 ALA CB C 42 18.020 18.020 18.952 -0.932 25744 139 1 1 . 1 1 42 42 ALA H H 42 7.678 7.678 7.884 -0.206 25744 140 1 1 . 1 1 43 43 PHE N N 43 113.805 113.805 116.123 -2.318 25744 141 1 1 . 1 1 43 43 PHE CA C 43 57.911 57.911 56.955 0.956 25744 142 1 1 . 1 1 43 43 PHE CB C 43 38.711 38.711 38.653 0.058 25744 143 1 1 . 1 1 43 43 PHE H H 43 7.044 7.044 7.732 -0.688 25744 144 1 1 . 1 1 44 44 GLY N N 44 104.034 104.034 107.499 -3.465 25744 145 1 1 . 1 1 44 44 GLY CA C 44 45.963 45.963 44.826 1.137 25744 146 1 1 . 1 1 44 44 GLY H H 44 7.099 7.099 8.196 -1.097 25744 147 1 1 . 1 1 45 45 GLY N N 45 110.240 110.240 108.798 1.442 25744 148 1 1 . 1 1 45 45 GLY CA C 45 44.622 44.622 45.754 -1.132 25744 149 1 1 . 1 1 45 45 GLY H H 45 8.015 8.015 8.214 -0.199 25744 150 1 1 . 1 1 46 46 VAL N N 46 122.532 122.532 119.591 2.941 25744 151 1 1 . 1 1 46 46 VAL CA C 46 60.910 60.910 62.395 -1.485 25744 152 1 1 . 1 1 46 46 VAL CB C 46 34.444 34.444 31.926 2.518 25744 153 1 1 . 1 1 46 46 VAL H H 46 7.854 7.854 7.555 0.299 25744 154 1 1 . 1 1 47 47 GLY N N 47 114.605 114.605 113.119 1.486 25744 155 1 1 . 1 1 47 47 GLY CA C 47 45.230 45.230 45.292 -0.062 25744 156 1 1 . 1 1 48 48 ASN N N 48 121.458 121.458 121.121 0.337 25744 157 1 1 . 1 1 48 48 ASN CA C 48 57.494 57.494 57.227 0.267 25744 158 1 1 . 1 1 48 48 ASN CB C 48 31.011 31.011 37.198 -6.187 25744 159 1 1 . 1 1 48 48 ASN H H 48 8.500 8.500 8.551 -0.051 25744 160 1 1 . 1 1 49 49 PRO CA C 49 64.978 64.978 64.716 0.261 25744 161 1 1 . 1 1 49 49 PRO CB C 49 30.885 30.885 30.630 0.255 25744 162 1 1 . 1 1 50 50 ALA N N 50 110.593 110.593 121.451 -10.858 25744 163 1 1 . 1 1 50 50 ALA CA C 50 53.171 53.171 54.129 -0.958 25744 164 1 1 . 1 1 50 50 ALA CB C 50 18.404 18.404 18.268 0.136 25744 165 1 1 . 1 1 50 50 ALA H H 50 7.787 7.787 7.091 0.696 25744 166 1 1 . 1 1 51 51 ALA N N 51 118.962 118.962 120.712 -1.750 25744 167 1 1 . 1 1 51 51 ALA CA C 51 51.037 51.037 52.167 -1.130 25744 168 1 1 . 1 1 51 51 ALA CB C 51 19.507 19.507 19.797 -0.290 25744 169 1 1 . 1 1 51 51 ALA H H 51 7.436 7.436 7.867 -0.431 25744 170 1 1 . 1 1 52 52 ALA N N 52 122.852 122.852 123.076 -0.224 25744 171 1 1 . 1 1 52 52 ALA CA C 52 50.682 50.682 52.225 -1.543 25744 172 1 1 . 1 1 52 52 ALA CB C 52 20.654 20.654 18.796 1.858 25744 173 1 1 . 1 1 52 52 ALA H H 52 7.080 7.080 8.187 -1.107 25744 174 1 1 . 1 1 53 53 SER N N 53 119.459 119.459 119.683 -0.224 25744 175 1 1 . 1 1 53 53 SER CA C 53 57.437 57.437 58.185 -0.748 25744 176 1 1 . 1 1 53 53 SER CB C 53 64.914 64.914 63.724 1.190 25744 177 1 1 . 1 1 53 53 SER H H 53 8.916 8.916 8.504 0.412 25744 178 1 1 . 1 1 54 54 ARG N N 54 122.357 122.357 123.521 -1.164 25744 179 1 1 . 1 1 54 54 ARG CA C 54 59.334 59.334 59.294 0.040 25744 180 1 1 . 1 1 54 54 ARG CB C 54 29.111 29.111 29.166 -0.055 25744 181 1 1 . 1 1 54 54 ARG H H 54 8.791 8.791 8.577 0.214 25744 182 1 1 . 1 1 55 55 GLU N N 55 114.989 114.989 117.598 -2.609 25744 183 1 1 . 1 1 55 55 GLU CA C 55 61.348 61.348 59.246 2.102 25744 184 1 1 . 1 1 55 55 GLU CB C 55 28.756 28.756 28.917 -0.161 25744 185 1 1 . 1 1 55 55 GLU H H 55 8.214 8.214 8.336 -0.122 25744 186 1 1 . 1 1 56 56 GLN N N 56 121.065 121.065 119.251 1.814 25744 187 1 1 . 1 1 56 56 GLN CA C 56 58.504 58.504 58.629 -0.125 25744 188 1 1 . 1 1 56 56 GLN CB C 56 29.704 29.704 28.190 1.514 25744 189 1 1 . 1 1 56 56 GLN H H 56 7.975 7.975 7.407 0.568 25744 190 1 1 . 1 1 57 57 GLN N N 57 120.192 120.192 119.395 0.797 25744 191 1 1 . 1 1 57 57 GLN CA C 57 60.400 60.400 58.363 2.037 25744 192 1 1 . 1 1 57 57 GLN CB C 57 30.178 30.178 28.612 1.566 25744 193 1 1 . 1 1 57 57 GLN H H 57 8.492 8.492 8.282 0.210 25744 194 1 1 . 1 1 58 58 ILE N N 58 120.157 120.157 117.240 2.917 25744 195 1 1 . 1 1 58 58 ILE CA C 58 65.952 65.952 64.167 1.785 25744 196 1 1 . 1 1 58 58 ILE CB C 58 37.747 37.747 36.376 1.371 25744 197 1 1 . 1 1 58 58 ILE H H 58 8.347 8.347 7.875 0.472 25744 198 1 1 . 1 1 59 59 ALA N N 59 121.345 121.345 122.539 -1.194 25744 199 1 1 . 1 1 59 59 ALA CA C 59 55.304 55.304 55.388 -0.084 25744 200 1 1 . 1 1 59 59 ALA CB C 59 17.970 17.970 17.746 0.224 25744 201 1 1 . 1 1 59 59 ALA H H 59 7.657 7.657 7.759 -0.102 25744 202 1 1 . 1 1 60 60 VAL N N 60 117.152 117.152 119.253 -2.101 25744 203 1 1 . 1 1 60 60 VAL CA C 60 66.208 66.208 65.361 0.847 25744 204 1 1 . 1 1 60 60 VAL CB C 60 31.481 31.481 30.589 0.892 25744 205 1 1 . 1 1 60 60 VAL H H 60 7.144 7.144 7.519 -0.375 25744 206 1 1 . 1 1 61 61 ALA N N 61 123.936 123.936 121.778 2.158 25744 207 1 1 . 1 1 61 61 ALA CA C 61 56.371 56.371 55.358 1.013 25744 208 1 1 . 1 1 61 61 ALA CB C 61 16.482 16.482 18.218 -1.736 25744 209 1 1 . 1 1 61 61 ALA H H 61 8.225 8.225 8.744 -0.519 25744 210 1 1 . 1 1 62 62 ASN N N 62 114.116 114.116 116.879 -2.763 25744 211 1 1 . 1 1 62 62 ASN CA C 62 56.845 56.845 56.611 0.234 25744 212 1 1 . 1 1 62 62 ASN CB C 62 38.356 38.356 38.565 -0.209 25744 213 1 1 . 1 1 62 62 ASN H H 62 8.500 8.500 8.322 0.178 25744 214 1 1 . 1 1 63 63 ARG N N 63 122.173 122.173 119.991 2.182 25744 215 1 1 . 1 1 63 63 ARG CA C 63 59.926 59.926 58.839 1.087 25744 216 1 1 . 1 1 63 63 ARG CB C 63 30.889 30.889 30.679 0.210 25744 217 1 1 . 1 1 63 63 ARG H H 63 7.474 7.474 7.609 -0.135 25744 218 1 1 . 1 1 64 64 VAL N N 64 121.659 121.659 121.249 0.410 25744 219 1 1 . 1 1 64 64 VAL CA C 64 65.852 65.852 65.781 0.071 25744 220 1 1 . 1 1 64 64 VAL CB C 64 31.718 31.718 31.102 0.616 25744 221 1 1 . 1 1 64 64 VAL H H 64 8.107 8.107 8.271 -0.164 25744 222 1 1 . 1 1 65 65 LEU N N 65 120.681 120.681 119.916 0.765 25744 223 1 1 . 1 1 65 65 LEU CA C 65 57.556 57.556 58.912 -1.356 25744 224 1 1 . 1 1 65 65 LEU CB C 65 43.333 43.333 40.837 2.496 25744 225 1 1 . 1 1 65 65 LEU H H 65 8.948 8.948 8.409 0.539 25744 226 1 1 . 1 1 66 66 ALA N N 66 118.509 118.509 121.416 -2.907 25744 227 1 1 . 1 1 66 66 ALA CA C 66 54.830 54.830 54.622 0.208 25744 228 1 1 . 1 1 66 66 ALA CB C 66 19.155 19.155 18.280 0.875 25744 229 1 1 . 1 1 66 66 ALA H H 66 7.390 7.390 7.798 -0.408 25744 230 1 1 . 1 1 67 67 GLU N N 67 114.309 114.309 119.381 -5.072 25744 231 1 1 . 1 1 67 67 GLU CA C 67 57.700 57.700 58.660 -0.960 25744 232 1 1 . 1 1 67 67 GLU CB C 67 32.531 32.531 30.166 2.365 25744 233 1 1 . 1 1 67 67 GLU H H 67 7.369 7.369 8.019 -0.650 25744 234 1 1 . 1 1 68 68 GLN N N 68 116.281 116.281 116.473 -0.192 25744 235 1 1 . 1 1 68 68 GLN CA C 68 55.778 55.778 55.241 0.537 25744 236 1 1 . 1 1 68 68 GLN CB C 68 30.889 30.889 31.292 -0.403 25744 237 1 1 . 1 1 68 68 GLN H H 68 8.914 8.914 8.048 0.866 25744 238 1 1 . 1 1 69 69 GLY N N 69 109.577 109.577 107.855 1.722 25744 239 1 1 . 1 1 69 69 GLY CA C 69 45.941 45.941 44.583 1.358 25744 240 1 1 . 1 1 69 69 GLY H H 69 8.134 8.134 7.814 0.320 25744 241 1 1 . 1 1 70 70 LEU N N 70 121.331 121.331 118.904 2.427 25744 242 1 1 . 1 1 70 70 LEU CA C 70 54.522 54.522 57.618 -3.096 25744 243 1 1 . 1 1 70 70 LEU CB C 70 41.954 41.954 41.982 -0.028 25744 244 1 1 . 1 1 70 70 LEU H H 70 8.519 8.519 8.652 -0.133 25744 245 1 1 . 1 1 71 71 ASP N N 71 120.681 120.681 120.516 0.165 25744 246 1 1 . 1 1 71 71 ASP CA C 71 57.082 57.082 57.133 -0.051 25744 247 1 1 . 1 1 71 71 ASP CB C 71 40.844 40.844 39.850 0.994 25744 248 1 1 . 1 1 71 71 ASP H H 71 7.718 7.718 8.350 -0.632 25744 249 1 1 . 1 1 72 72 ALA N N 72 119.110 119.110 121.576 -2.466 25744 250 1 1 . 1 1 72 72 ALA CA C 72 53.289 53.289 53.444 -0.155 25744 251 1 1 . 1 1 72 72 ALA CB C 72 15.885 15.885 19.047 -3.162 25744 252 1 1 . 1 1 72 72 ALA H H 72 8.009 8.009 7.400 0.609 25744 253 1 1 . 1 1 73 73 TRP N N 73 117.503 117.503 119.647 -2.144 25744 254 1 1 . 1 1 73 73 TRP CA C 73 56.963 56.963 55.469 1.494 25744 255 1 1 . 1 1 73 73 TRP CB C 73 28.163 28.163 29.206 -1.042 25744 256 1 1 . 1 1 73 73 TRP H H 73 7.791 7.791 8.161 -0.370 25744 257 1 1 . 1 1 74 74 PRO CA C 74 65.586 65.586 63.660 1.926 25744 258 1 1 . 1 1 74 74 PRO CB C 74 32.234 32.234 32.016 0.218 25744 259 1 1 . 1 1 75 75 THR N N 75 111.008 111.008 112.868 -1.860 25744 260 1 1 . 1 1 75 75 THR CA C 75 63.482 63.482 63.724 -0.242 25744 261 1 1 . 1 1 75 75 THR CB C 75 68.815 68.815 68.800 0.015 25744 262 1 1 . 1 1 75 75 THR H H 75 8.197 8.197 8.543 -0.346 25744 263 1 1 . 1 1 76 76 CYS N N 76 119.131 119.131 119.790 -0.659 25744 264 1 1 . 1 1 76 76 CYS CA C 76 54.853 54.853 58.768 -3.915 25744 265 1 1 . 1 1 76 76 CYS CB C 76 39.280 39.280 27.718 11.562 25744 266 1 1 . 1 1 76 76 CYS H H 76 8.144 8.144 7.888 0.256 25744 267 1 1 . 1 1 77 77 GLY N N 77 110.834 110.834 111.638 -0.804 25744 268 1 1 . 1 1 77 77 GLY CA C 77 48.430 48.430 44.943 3.487 25744 269 1 1 . 1 1 77 77 GLY H H 77 8.774 8.774 7.954 0.820 25744 270 1 1 . 1 1 78 78 ALA N N 78 123.300 123.300 126.619 -3.319 25744 271 1 1 . 1 1 78 78 ALA CA C 78 53.882 53.882 53.571 0.311 25744 272 1 1 . 1 1 78 78 ALA CB C 78 18.563 18.563 17.210 1.353 25744 273 1 1 . 1 1 78 78 ALA H H 78 8.142 8.142 7.906 0.236 25744 274 1 1 . 1 1 80 80 SER N N 80 111.423 111.423 111.164 0.259 25744 275 1 1 . 1 1 80 80 SER CA C 80 59.723 59.723 58.804 0.919 25744 276 1 1 . 1 1 80 80 SER CB C 80 63.648 63.648 64.321 -0.673 25744 277 1 1 . 1 1 80 80 SER H H 80 7.742 7.742 7.782 -0.040 25744 278 1 1 . 1 1 81 81 GLY N N 81 111.317 111.317 110.210 1.107 25744 279 1 1 . 1 1 81 81 GLY CA C 81 45.430 45.430 45.661 -0.231 25744 280 1 1 . 1 1 81 81 GLY H H 81 7.562 7.562 7.750 -0.188 25744 281 1 2 . 1 1 4 4 GLY N N 4 110.205 110.205 110.571 -0.366 25744 282 1 2 . 1 1 4 4 GLY CA C 4 44.519 44.519 44.242 0.277 25744 283 1 2 . 1 1 4 4 GLY H H 4 8.067 8.067 8.057 0.010 25744 284 1 2 . 1 1 5 5 PRO CA C 5 63.030 63.030 62.373 0.657 25744 285 1 2 . 1 1 5 5 PRO CB C 5 32.458 32.458 32.632 -0.174 25744 286 1 2 . 1 1 6 6 SER N N 6 116.630 116.630 117.707 -1.077 25744 287 1 2 . 1 1 6 6 SER CA C 6 56.015 56.015 57.561 -1.546 25744 288 1 2 . 1 1 6 6 SER CB C 6 63.363 63.363 63.403 -0.040 25744 289 1 2 . 1 1 6 6 SER H H 6 8.304 8.304 8.382 -0.078 25744 290 1 2 . 1 1 7 7 PRO CA C 7 62.430 62.430 62.795 -0.365 25744 291 1 2 . 1 1 7 7 PRO CB C 7 30.960 30.960 32.036 -1.076 25744 292 1 2 . 1 1 8 8 ASN N N 8 120.122 120.122 122.231 -2.109 25744 293 1 2 . 1 1 8 8 ASN CA C 8 50.800 50.800 51.937 -1.137 25744 294 1 2 . 1 1 8 8 ASN CB C 8 36.222 36.222 38.496 -2.274 25744 295 1 2 . 1 1 8 8 ASN H H 8 8.667 8.667 8.648 0.019 25744 296 1 2 . 1 1 9 9 TRP N N 9 123.684 123.684 125.836 -2.152 25744 297 1 2 . 1 1 9 9 TRP CA C 9 59.215 59.215 60.852 -1.637 25744 298 1 2 . 1 1 9 9 TRP CB C 9 30.780 30.780 29.666 1.114 25744 299 1 2 . 1 1 9 9 TRP H H 9 7.691 7.691 8.616 -0.925 25744 300 1 2 . 1 1 10 10 ASP N N 10 118.132 118.132 119.722 -1.590 25744 301 1 2 . 1 1 10 10 ASP CA C 10 58.622 58.622 57.872 0.750 25744 302 1 2 . 1 1 10 10 ASP CB C 10 40.844 40.844 40.572 0.272 25744 303 1 2 . 1 1 10 10 ASP H H 10 8.320 8.320 8.677 -0.357 25744 304 1 2 . 1 1 11 11 ALA N N 11 124.299 124.299 121.978 2.321 25744 305 1 2 . 1 1 11 11 ALA CA C 11 54.593 54.593 54.643 -0.050 25744 306 1 2 . 1 1 11 11 ALA CB C 11 18.681 18.681 18.460 0.221 25744 307 1 2 . 1 1 11 11 ALA H H 11 7.395 7.395 8.223 -0.828 25744 308 1 2 . 1 1 12 12 VAL N N 12 120.997 120.997 118.507 2.490 25744 309 1 2 . 1 1 12 12 VAL CA C 12 66.682 66.682 66.023 0.659 25744 310 1 2 . 1 1 12 12 VAL CB C 12 31.481 31.481 30.084 1.397 25744 311 1 2 . 1 1 12 12 VAL H H 12 7.464 7.464 8.339 -0.875 25744 312 1 2 . 1 1 13 13 ALA N N 13 121.205 121.205 121.598 -0.393 25744 313 1 2 . 1 1 13 13 ALA CA C 13 54.711 54.711 55.209 -0.498 25744 314 1 2 . 1 1 13 13 ALA CB C 13 18.918 18.918 17.738 1.180 25744 315 1 2 . 1 1 13 13 ALA H H 13 8.523 8.523 7.838 0.685 25744 316 1 2 . 1 1 14 14 GLN N N 14 120.926 120.926 115.956 4.970 25744 317 1 2 . 1 1 14 14 GLN CA C 14 58.978 58.978 57.728 1.250 25744 318 1 2 . 1 1 14 14 GLN CB C 14 27.689 27.689 28.812 -1.123 25744 319 1 2 . 1 1 14 14 GLN H H 14 8.046 8.046 8.012 0.034 25744 320 1 2 . 1 1 15 15 CYS N N 15 118.916 118.916 117.566 1.350 25744 321 1 2 . 1 1 15 15 CYS CA C 15 59.334 59.334 59.394 -0.060 25744 322 1 2 . 1 1 15 15 CYS CB C 15 35.748 35.748 29.057 6.691 25744 323 1 2 . 1 1 15 15 CYS H H 15 7.108 7.108 7.592 -0.484 25744 324 1 2 . 1 1 16 16 GLU N N 16 120.227 120.227 119.626 0.601 25744 325 1 2 . 1 1 16 16 GLU CA C 16 58.978 58.978 57.855 1.123 25744 326 1 2 . 1 1 16 16 GLU CB C 16 30.051 30.051 30.396 -0.345 25744 327 1 2 . 1 1 16 16 GLU H H 16 8.776 8.776 8.621 0.155 25744 328 1 2 . 1 1 17 17 SER N N 17 109.577 109.577 111.908 -2.331 25744 329 1 2 . 1 1 17 17 SER CA C 17 57.771 57.771 58.517 -0.746 25744 330 1 2 . 1 1 17 17 SER CB C 17 66.563 66.563 65.764 0.798 25744 331 1 2 . 1 1 17 17 SER H H 17 8.467 8.467 8.344 0.123 25744 332 1 2 . 1 1 18 18 GLY N N 18 113.669 113.669 110.785 2.884 25744 333 1 2 . 1 1 18 18 GLY CA C 18 46.652 46.652 44.836 1.817 25744 334 1 2 . 1 1 18 18 GLY H H 18 7.598 7.598 7.901 -0.303 25744 335 1 2 . 1 1 19 19 GLY N N 19 106.884 106.884 107.214 -0.330 25744 336 1 2 . 1 1 19 19 GLY CA C 19 45.467 45.467 44.772 0.695 25744 337 1 2 . 1 1 19 19 GLY H H 19 7.476 7.476 7.625 -0.149 25744 338 1 2 . 1 1 20 20 ASN N N 20 116.428 116.428 118.906 -2.478 25744 339 1 2 . 1 1 20 20 ASN CA C 20 50.445 50.445 52.363 -1.918 25744 340 1 2 . 1 1 20 20 ASN CB C 20 38.510 38.510 40.653 -2.143 25744 341 1 2 . 1 1 20 20 ASN H H 20 6.580 6.580 7.690 -1.110 25744 342 1 2 . 1 1 21 21 TRP N N 21 124.313 124.313 125.149 -0.836 25744 343 1 2 . 1 1 21 21 TRP CA C 21 60.400 60.400 59.697 0.703 25744 344 1 2 . 1 1 21 21 TRP CB C 21 27.689 27.689 29.407 -1.718 25744 345 1 2 . 1 1 21 21 TRP H H 21 8.262 8.262 8.834 -0.572 25744 346 1 2 . 1 1 22 22 ALA N N 22 120.192 120.192 121.372 -1.180 25744 347 1 2 . 1 1 22 22 ALA CA C 22 50.208 50.208 53.694 -3.486 25744 348 1 2 . 1 1 22 22 ALA CB C 22 19.037 19.037 17.745 1.292 25744 349 1 2 . 1 1 22 22 ALA H H 22 7.668 7.668 8.100 -0.432 25744 350 1 2 . 1 1 23 23 ALA N N 23 121.314 121.314 119.820 1.494 25744 351 1 2 . 1 1 23 23 ALA CA C 23 54.711 54.711 52.011 2.700 25744 352 1 2 . 1 1 23 23 ALA CB C 23 18.701 18.701 17.519 1.182 25744 353 1 2 . 1 1 23 23 ALA H H 23 6.929 6.929 7.918 -0.989 25744 354 1 2 . 1 1 24 24 ASN N N 24 119.494 119.494 119.640 -0.146 25744 355 1 2 . 1 1 24 24 ASN CA C 24 52.459 52.459 53.366 -0.907 25744 356 1 2 . 1 1 24 24 ASN CB C 24 37.170 37.170 37.677 -0.507 25744 357 1 2 . 1 1 24 24 ASN H H 24 8.678 8.678 8.708 -0.030 25744 358 1 2 . 1 1 25 25 THR N N 25 113.697 113.697 112.601 1.096 25744 359 1 2 . 1 1 25 25 THR CA C 25 61.941 61.941 61.822 0.119 25744 360 1 2 . 1 1 25 25 THR CB C 25 69.171 69.171 69.321 -0.150 25744 361 1 2 . 1 1 25 25 THR H H 25 9.174 9.174 8.062 1.113 25744 362 1 2 . 1 1 26 26 GLY N N 26 110.554 110.554 111.906 -1.352 25744 363 1 2 . 1 1 26 26 GLY CA C 26 45.822 45.822 45.276 0.546 25744 364 1 2 . 1 1 26 26 GLY H H 26 8.381 8.381 7.955 0.426 25744 365 1 2 . 1 1 27 27 ASN N N 27 118.272 118.272 119.096 -0.824 25744 366 1 2 . 1 1 27 27 ASN CA C 27 51.985 51.985 51.756 0.229 25744 367 1 2 . 1 1 27 27 ASN CB C 27 37.436 37.436 38.548 -1.112 25744 368 1 2 . 1 1 27 27 ASN H H 27 7.718 7.718 8.406 -0.688 25744 369 1 2 . 1 1 28 28 GLY N N 28 108.669 108.669 105.808 2.861 25744 370 1 2 . 1 1 28 28 GLY CA C 28 45.348 45.348 45.725 -0.377 25744 371 1 2 . 1 1 28 28 GLY H H 28 8.287 8.287 8.129 0.158 25744 372 1 2 . 1 1 29 29 LYS N N 29 116.881 116.881 118.483 -1.602 25744 373 1 2 . 1 1 29 29 LYS CA C 29 54.119 54.119 55.166 -1.046 25744 374 1 2 . 1 1 29 29 LYS CB C 29 35.184 35.184 35.937 -0.753 25744 375 1 2 . 1 1 29 29 LYS H H 29 7.256 7.256 7.304 -0.048 25744 376 1 2 . 1 1 30 30 TYR N N 30 115.548 115.548 118.451 -2.903 25744 377 1 2 . 1 1 30 30 TYR CA C 30 58.148 58.148 57.512 0.636 25744 378 1 2 . 1 1 30 30 TYR CB C 30 44.163 44.163 41.760 2.403 25744 379 1 2 . 1 1 30 30 TYR H H 30 8.421 8.421 8.533 -0.112 25744 380 1 2 . 1 1 31 31 GLY N N 31 110.774 110.774 111.062 -0.288 25744 381 1 2 . 1 1 31 31 GLY CA C 31 44.767 44.767 45.786 -1.019 25744 382 1 2 . 1 1 31 31 GLY H H 31 9.969 9.969 8.764 1.205 25744 383 1 2 . 1 1 32 32 GLY N N 32 109.262 109.262 106.894 2.368 25744 384 1 2 . 1 1 32 32 GLY CA C 32 46.193 46.193 45.211 0.982 25744 385 1 2 . 1 1 32 32 GLY H H 32 9.008 9.008 8.020 0.988 25744 386 1 2 . 1 1 33 33 LEU N N 33 115.269 115.269 120.896 -5.627 25744 387 1 2 . 1 1 33 33 LEU CA C 33 52.815 52.815 53.012 -0.197 25744 388 1 2 . 1 1 33 33 LEU CB C 33 41.556 41.556 42.287 -0.731 25744 389 1 2 . 1 1 33 33 LEU H H 33 7.843 7.843 7.529 0.314 25744 390 1 2 . 1 1 34 34 GLN N N 34 112.176 112.176 116.737 -4.561 25744 391 1 2 . 1 1 34 34 GLN CA C 34 55.304 55.304 57.260 -1.956 25744 392 1 2 . 1 1 34 34 GLN CB C 34 27.333 27.333 26.513 0.820 25744 393 1 2 . 1 1 34 34 GLN H H 34 7.321 7.321 7.806 -0.485 25744 394 1 2 . 1 1 35 35 PHE N N 35 116.246 116.246 121.405 -5.159 25744 395 1 2 . 1 1 35 35 PHE CA C 35 59.334 59.334 56.854 2.480 25744 396 1 2 . 1 1 35 35 PHE CB C 35 41.793 41.793 39.690 2.103 25744 397 1 2 . 1 1 35 35 PHE H H 35 7.708 7.708 8.231 -0.523 25744 398 1 2 . 1 1 36 36 LYS N N 36 122.039 122.039 128.452 -6.413 25744 399 1 2 . 1 1 36 36 LYS CA C 36 54.711 54.711 56.177 -1.466 25744 400 1 2 . 1 1 36 36 LYS CB C 36 32.193 32.193 31.957 0.236 25744 401 1 2 . 1 1 36 36 LYS H H 36 9.110 9.110 8.318 0.792 25744 402 1 2 . 1 1 37 37 PRO CA C 37 66.626 66.626 65.489 1.137 25744 403 1 2 . 1 1 37 37 PRO CB C 37 32.234 32.234 31.977 0.257 25744 404 1 2 . 1 1 39 39 THR N N 39 115.976 115.976 114.401 1.575 25744 405 1 2 . 1 1 39 39 THR CA C 39 65.971 65.971 65.636 0.335 25744 406 1 2 . 1 1 39 39 THR CB C 39 69.550 69.550 68.418 1.132 25744 407 1 2 . 1 1 39 39 THR H H 39 7.046 7.046 7.505 -0.459 25744 408 1 2 . 1 1 40 40 TRP N N 40 120.053 120.053 123.597 -3.544 25744 409 1 2 . 1 1 40 40 TRP CA C 40 60.163 60.163 59.679 0.484 25744 410 1 2 . 1 1 40 40 TRP CB C 40 30.317 30.317 29.548 0.769 25744 411 1 2 . 1 1 40 40 TRP H H 40 7.810 7.810 8.039 -0.229 25744 412 1 2 . 1 1 41 41 ALA N N 41 117.049 117.049 122.022 -4.973 25744 413 1 2 . 1 1 41 41 ALA CA C 41 54.119 54.119 55.023 -0.904 25744 414 1 2 . 1 1 41 41 ALA CB C 41 18.800 18.800 17.757 1.043 25744 415 1 2 . 1 1 41 41 ALA H H 41 8.117 8.117 8.515 -0.398 25744 416 1 2 . 1 1 42 42 ALA N N 42 120.416 120.416 121.936 -1.520 25744 417 1 2 . 1 1 42 42 ALA CA C 42 53.408 53.408 54.704 -1.296 25744 418 1 2 . 1 1 42 42 ALA CB C 42 18.020 18.020 18.931 -0.911 25744 419 1 2 . 1 1 42 42 ALA H H 42 7.678 7.678 7.999 -0.321 25744 420 1 2 . 1 1 43 43 PHE N N 43 113.805 113.805 116.018 -2.213 25744 421 1 2 . 1 1 43 43 PHE CA C 43 57.911 57.911 57.049 0.862 25744 422 1 2 . 1 1 43 43 PHE CB C 43 38.711 38.711 38.625 0.086 25744 423 1 2 . 1 1 43 43 PHE H H 43 7.044 7.044 7.717 -0.673 25744 424 1 2 . 1 1 44 44 GLY N N 44 104.034 104.034 107.461 -3.427 25744 425 1 2 . 1 1 44 44 GLY CA C 44 45.963 45.963 44.825 1.139 25744 426 1 2 . 1 1 44 44 GLY H H 44 7.099 7.099 8.184 -1.085 25744 427 1 2 . 1 1 45 45 GLY N N 45 110.240 110.240 108.408 1.832 25744 428 1 2 . 1 1 45 45 GLY CA C 45 44.622 44.622 45.744 -1.122 25744 429 1 2 . 1 1 45 45 GLY H H 45 8.015 8.015 8.119 -0.104 25744 430 1 2 . 1 1 46 46 VAL N N 46 122.532 122.532 120.648 1.884 25744 431 1 2 . 1 1 46 46 VAL CA C 46 60.910 60.910 62.768 -1.858 25744 432 1 2 . 1 1 46 46 VAL CB C 46 34.444 34.444 32.121 2.323 25744 433 1 2 . 1 1 46 46 VAL H H 46 7.854 7.854 7.796 0.058 25744 434 1 2 . 1 1 47 47 GLY N N 47 114.605 114.605 113.295 1.310 25744 435 1 2 . 1 1 47 47 GLY CA C 47 45.230 45.230 45.387 -0.157 25744 436 1 2 . 1 1 48 48 ASN N N 48 121.458 121.458 121.111 0.347 25744 437 1 2 . 1 1 48 48 ASN CA C 48 57.494 57.494 57.694 -0.200 25744 438 1 2 . 1 1 48 48 ASN CB C 48 31.011 31.011 37.282 -6.271 25744 439 1 2 . 1 1 48 48 ASN H H 48 8.500 8.500 8.614 -0.114 25744 440 1 2 . 1 1 49 49 PRO CA C 49 64.978 64.978 64.482 0.496 25744 441 1 2 . 1 1 49 49 PRO CB C 49 30.885 30.885 30.620 0.265 25744 442 1 2 . 1 1 50 50 ALA N N 50 110.593 110.593 121.341 -10.748 25744 443 1 2 . 1 1 50 50 ALA CA C 50 53.171 53.171 54.056 -0.885 25744 444 1 2 . 1 1 50 50 ALA CB C 50 18.404 18.404 18.389 0.015 25744 445 1 2 . 1 1 50 50 ALA H H 50 7.787 7.787 7.307 0.480 25744 446 1 2 . 1 1 51 51 ALA N N 51 118.962 118.962 120.996 -2.034 25744 447 1 2 . 1 1 51 51 ALA CA C 51 51.037 51.037 52.054 -1.017 25744 448 1 2 . 1 1 51 51 ALA CB C 51 19.507 19.507 19.758 -0.251 25744 449 1 2 . 1 1 51 51 ALA H H 51 7.436 7.436 7.842 -0.406 25744 450 1 2 . 1 1 52 52 ALA N N 52 122.852 122.852 122.645 0.207 25744 451 1 2 . 1 1 52 52 ALA CA C 52 50.682 50.682 52.216 -1.534 25744 452 1 2 . 1 1 52 52 ALA CB C 52 20.654 20.654 19.026 1.628 25744 453 1 2 . 1 1 52 52 ALA H H 52 7.080 7.080 7.944 -0.864 25744 454 1 2 . 1 1 53 53 SER N N 53 119.459 119.459 120.579 -1.120 25744 455 1 2 . 1 1 53 53 SER CA C 53 57.437 57.437 57.272 0.165 25744 456 1 2 . 1 1 53 53 SER CB C 53 64.914 64.914 64.082 0.832 25744 457 1 2 . 1 1 53 53 SER H H 53 8.916 8.916 8.314 0.602 25744 458 1 2 . 1 1 54 54 ARG N N 54 122.357 122.357 123.641 -1.284 25744 459 1 2 . 1 1 54 54 ARG CA C 54 59.334 59.334 59.618 -0.284 25744 460 1 2 . 1 1 54 54 ARG CB C 54 29.111 29.111 29.053 0.058 25744 461 1 2 . 1 1 54 54 ARG H H 54 8.791 8.791 8.597 0.194 25744 462 1 2 . 1 1 55 55 GLU N N 55 114.989 114.989 118.151 -3.162 25744 463 1 2 . 1 1 55 55 GLU CA C 55 61.348 61.348 59.008 2.341 25744 464 1 2 . 1 1 55 55 GLU CB C 55 28.756 28.756 29.145 -0.389 25744 465 1 2 . 1 1 55 55 GLU H H 55 8.214 8.214 8.309 -0.095 25744 466 1 2 . 1 1 56 56 GLN N N 56 121.065 121.065 119.360 1.705 25744 467 1 2 . 1 1 56 56 GLN CA C 56 58.504 58.504 58.695 -0.191 25744 468 1 2 . 1 1 56 56 GLN CB C 56 29.704 29.704 28.430 1.274 25744 469 1 2 . 1 1 56 56 GLN H H 56 7.975 7.975 7.315 0.660 25744 470 1 2 . 1 1 57 57 GLN N N 57 120.192 120.192 119.623 0.569 25744 471 1 2 . 1 1 57 57 GLN CA C 57 60.400 60.400 58.513 1.887 25744 472 1 2 . 1 1 57 57 GLN CB C 57 30.178 30.178 28.666 1.512 25744 473 1 2 . 1 1 57 57 GLN H H 57 8.492 8.492 8.376 0.116 25744 474 1 2 . 1 1 58 58 ILE N N 58 120.157 120.157 116.713 3.444 25744 475 1 2 . 1 1 58 58 ILE CA C 58 65.952 65.952 64.124 1.828 25744 476 1 2 . 1 1 58 58 ILE CB C 58 37.747 37.747 36.348 1.399 25744 477 1 2 . 1 1 58 58 ILE H H 58 8.347 8.347 7.712 0.635 25744 478 1 2 . 1 1 59 59 ALA N N 59 121.345 121.345 122.487 -1.142 25744 479 1 2 . 1 1 59 59 ALA CA C 59 55.304 55.304 55.423 -0.119 25744 480 1 2 . 1 1 59 59 ALA CB C 59 17.970 17.970 17.878 0.092 25744 481 1 2 . 1 1 59 59 ALA H H 59 7.657 7.657 7.825 -0.168 25744 482 1 2 . 1 1 60 60 VAL N N 60 117.152 117.152 119.096 -1.944 25744 483 1 2 . 1 1 60 60 VAL CA C 60 66.208 66.208 65.444 0.764 25744 484 1 2 . 1 1 60 60 VAL CB C 60 31.481 31.481 30.597 0.884 25744 485 1 2 . 1 1 60 60 VAL H H 60 7.144 7.144 7.638 -0.494 25744 486 1 2 . 1 1 61 61 ALA N N 61 123.936 123.936 121.777 2.159 25744 487 1 2 . 1 1 61 61 ALA CA C 61 56.371 56.371 55.322 1.050 25744 488 1 2 . 1 1 61 61 ALA CB C 61 16.482 16.482 18.130 -1.648 25744 489 1 2 . 1 1 61 61 ALA H H 61 8.225 8.225 8.657 -0.432 25744 490 1 2 . 1 1 62 62 ASN N N 62 114.116 114.116 117.300 -3.184 25744 491 1 2 . 1 1 62 62 ASN CA C 62 56.845 56.845 56.504 0.341 25744 492 1 2 . 1 1 62 62 ASN CB C 62 38.356 38.356 38.429 -0.073 25744 493 1 2 . 1 1 62 62 ASN H H 62 8.500 8.500 8.396 0.104 25744 494 1 2 . 1 1 63 63 ARG N N 63 122.173 122.173 119.684 2.489 25744 495 1 2 . 1 1 63 63 ARG CA C 63 59.926 59.926 58.989 0.937 25744 496 1 2 . 1 1 63 63 ARG CB C 63 30.889 30.889 30.626 0.263 25744 497 1 2 . 1 1 63 63 ARG H H 63 7.474 7.474 7.674 -0.200 25744 498 1 2 . 1 1 64 64 VAL N N 64 121.659 121.659 120.953 0.706 25744 499 1 2 . 1 1 64 64 VAL CA C 64 65.852 65.852 65.639 0.213 25744 500 1 2 . 1 1 64 64 VAL CB C 64 31.718 31.718 31.220 0.498 25744 501 1 2 . 1 1 64 64 VAL H H 64 8.107 8.107 8.248 -0.141 25744 502 1 2 . 1 1 65 65 LEU N N 65 120.681 120.681 120.192 0.489 25744 503 1 2 . 1 1 65 65 LEU CA C 65 57.556 57.556 58.913 -1.357 25744 504 1 2 . 1 1 65 65 LEU CB C 65 43.333 43.333 40.861 2.471 25744 505 1 2 . 1 1 65 65 LEU H H 65 8.948 8.948 8.315 0.633 25744 506 1 2 . 1 1 66 66 ALA N N 66 118.509 118.509 121.562 -3.053 25744 507 1 2 . 1 1 66 66 ALA CA C 66 54.830 54.830 54.828 0.002 25744 508 1 2 . 1 1 66 66 ALA CB C 66 19.155 19.155 18.150 1.005 25744 509 1 2 . 1 1 66 66 ALA H H 66 7.390 7.390 7.778 -0.388 25744 510 1 2 . 1 1 67 67 GLU N N 67 114.309 114.309 119.200 -4.891 25744 511 1 2 . 1 1 67 67 GLU CA C 67 57.700 57.700 58.339 -0.639 25744 512 1 2 . 1 1 67 67 GLU CB C 67 32.531 32.531 30.062 2.469 25744 513 1 2 . 1 1 67 67 GLU H H 67 7.369 7.369 7.940 -0.571 25744 514 1 2 . 1 1 68 68 GLN N N 68 116.281 116.281 117.242 -0.961 25744 515 1 2 . 1 1 68 68 GLN CA C 68 55.778 55.778 55.984 -0.206 25744 516 1 2 . 1 1 68 68 GLN CB C 68 30.889 30.889 30.792 0.097 25744 517 1 2 . 1 1 68 68 GLN H H 68 8.914 8.914 7.946 0.968 25744 518 1 2 . 1 1 69 69 GLY N N 69 109.577 109.577 106.892 2.685 25744 519 1 2 . 1 1 69 69 GLY CA C 69 45.941 45.941 44.457 1.484 25744 520 1 2 . 1 1 69 69 GLY H H 69 8.134 8.134 7.955 0.179 25744 521 1 2 . 1 1 70 70 LEU N N 70 121.331 121.331 118.950 2.381 25744 522 1 2 . 1 1 70 70 LEU CA C 70 54.522 54.522 57.391 -2.869 25744 523 1 2 . 1 1 70 70 LEU CB C 70 41.954 41.954 41.960 -0.006 25744 524 1 2 . 1 1 70 70 LEU H H 70 8.519 8.519 8.584 -0.065 25744 525 1 2 . 1 1 71 71 ASP N N 71 120.681 120.681 118.917 1.764 25744 526 1 2 . 1 1 71 71 ASP CA C 71 57.082 57.082 55.639 1.443 25744 527 1 2 . 1 1 71 71 ASP CB C 71 40.844 40.844 39.776 1.068 25744 528 1 2 . 1 1 71 71 ASP H H 71 7.718 7.718 8.544 -0.826 25744 529 1 2 . 1 1 72 72 ALA N N 72 119.110 119.110 121.151 -2.041 25744 530 1 2 . 1 1 72 72 ALA CA C 72 53.289 53.289 53.367 -0.078 25744 531 1 2 . 1 1 72 72 ALA CB C 72 15.885 15.885 18.438 -2.553 25744 532 1 2 . 1 1 72 72 ALA H H 72 8.009 8.009 7.630 0.379 25744 533 1 2 . 1 1 73 73 TRP N N 73 117.503 117.503 118.391 -0.888 25744 534 1 2 . 1 1 73 73 TRP CA C 73 56.963 56.963 54.414 2.549 25744 535 1 2 . 1 1 73 73 TRP CB C 73 28.163 28.163 28.982 -0.819 25744 536 1 2 . 1 1 73 73 TRP H H 73 7.791 7.791 7.432 0.359 25744 537 1 2 . 1 1 74 74 PRO CA C 74 65.586 65.586 65.179 0.407 25744 538 1 2 . 1 1 74 74 PRO CB C 74 32.234 32.234 31.435 0.799 25744 539 1 2 . 1 1 75 75 THR N N 75 111.008 111.008 108.402 2.606 25744 540 1 2 . 1 1 75 75 THR CA C 75 63.482 63.482 63.503 -0.021 25744 541 1 2 . 1 1 75 75 THR CB C 75 68.815 68.815 68.633 0.182 25744 542 1 2 . 1 1 75 75 THR H H 75 8.197 8.197 8.419 -0.222 25744 543 1 2 . 1 1 76 76 CYS N N 76 119.131 119.131 118.489 0.642 25744 544 1 2 . 1 1 76 76 CYS CA C 76 54.853 54.853 60.016 -5.163 25744 545 1 2 . 1 1 76 76 CYS CB C 76 39.280 39.280 30.345 8.935 25744 546 1 2 . 1 1 76 76 CYS H H 76 8.144 8.144 7.987 0.157 25744 547 1 2 . 1 1 77 77 GLY N N 77 110.834 110.834 109.015 1.819 25744 548 1 2 . 1 1 77 77 GLY CA C 77 48.430 48.430 45.000 3.430 25744 549 1 2 . 1 1 77 77 GLY H H 77 8.774 8.774 7.834 0.940 25744 550 1 2 . 1 1 78 78 ALA N N 78 123.300 123.300 126.203 -2.903 25744 551 1 2 . 1 1 78 78 ALA CA C 78 53.882 53.882 54.307 -0.425 25744 552 1 2 . 1 1 78 78 ALA CB C 78 18.563 18.563 17.769 0.794 25744 553 1 2 . 1 1 78 78 ALA H H 78 8.142 8.142 8.121 0.021 25744 554 1 2 . 1 1 80 80 SER N N 80 111.423 111.423 113.570 -2.147 25744 555 1 2 . 1 1 80 80 SER CA C 80 59.723 59.723 58.107 1.616 25744 556 1 2 . 1 1 80 80 SER CB C 80 63.648 63.648 63.725 -0.077 25744 557 1 2 . 1 1 80 80 SER H H 80 7.742 7.742 7.731 0.011 25744 558 1 2 . 1 1 81 81 GLY N N 81 111.317 111.317 111.256 0.061 25744 559 1 2 . 1 1 81 81 GLY CA C 81 45.430 45.430 45.779 -0.349 25744 560 1 2 . 1 1 81 81 GLY H H 81 7.562 7.562 7.584 -0.022 25744 561 1 3 . 1 1 4 4 GLY N N 4 110.205 110.205 111.681 -1.476 25744 562 1 3 . 1 1 4 4 GLY CA C 4 44.519 44.519 44.748 -0.229 25744 563 1 3 . 1 1 4 4 GLY H H 4 8.067 8.067 8.341 -0.274 25744 564 1 3 . 1 1 5 5 PRO CA C 5 63.030 63.030 63.029 0.001 25744 565 1 3 . 1 1 5 5 PRO CB C 5 32.458 32.458 33.228 -0.770 25744 566 1 3 . 1 1 6 6 SER N N 6 116.630 116.630 117.182 -0.552 25744 567 1 3 . 1 1 6 6 SER CA C 6 56.015 56.015 56.236 -0.221 25744 568 1 3 . 1 1 6 6 SER CB C 6 63.363 63.363 63.556 -0.193 25744 569 1 3 . 1 1 6 6 SER H H 6 8.304 8.304 8.504 -0.200 25744 570 1 3 . 1 1 7 7 PRO CA C 7 62.430 62.430 62.945 -0.515 25744 571 1 3 . 1 1 7 7 PRO CB C 7 30.960 30.960 32.571 -1.611 25744 572 1 3 . 1 1 8 8 ASN N N 8 120.122 120.122 119.308 0.814 25744 573 1 3 . 1 1 8 8 ASN CA C 8 50.800 50.800 51.459 -0.659 25744 574 1 3 . 1 1 8 8 ASN CB C 8 36.222 36.222 41.029 -4.806 25744 575 1 3 . 1 1 8 8 ASN H H 8 8.667 8.667 8.011 0.656 25744 576 1 3 . 1 1 9 9 TRP N N 9 123.684 123.684 122.809 0.875 25744 577 1 3 . 1 1 9 9 TRP CA C 9 59.215 59.215 61.610 -2.395 25744 578 1 3 . 1 1 9 9 TRP CB C 9 30.780 30.780 29.809 0.971 25744 579 1 3 . 1 1 9 9 TRP H H 9 7.691 7.691 8.852 -1.161 25744 580 1 3 . 1 1 10 10 ASP N N 10 118.132 118.132 118.301 -0.169 25744 581 1 3 . 1 1 10 10 ASP CA C 10 58.622 58.622 57.700 0.922 25744 582 1 3 . 1 1 10 10 ASP CB C 10 40.844 40.844 40.721 0.123 25744 583 1 3 . 1 1 10 10 ASP H H 10 8.320 8.320 8.558 -0.238 25744 584 1 3 . 1 1 11 11 ALA N N 11 124.299 124.299 121.012 3.287 25744 585 1 3 . 1 1 11 11 ALA CA C 11 54.593 54.593 54.977 -0.384 25744 586 1 3 . 1 1 11 11 ALA CB C 11 18.681 18.681 18.534 0.147 25744 587 1 3 . 1 1 11 11 ALA H H 11 7.395 7.395 8.161 -0.766 25744 588 1 3 . 1 1 12 12 VAL N N 12 120.997 120.997 118.868 2.129 25744 589 1 3 . 1 1 12 12 VAL CA C 12 66.682 66.682 65.711 0.971 25744 590 1 3 . 1 1 12 12 VAL CB C 12 31.481 31.481 30.214 1.267 25744 591 1 3 . 1 1 12 12 VAL H H 12 7.464 7.464 7.343 0.121 25744 592 1 3 . 1 1 13 13 ALA N N 13 121.205 121.205 120.923 0.282 25744 593 1 3 . 1 1 13 13 ALA CA C 13 54.711 54.711 55.042 -0.331 25744 594 1 3 . 1 1 13 13 ALA CB C 13 18.918 18.918 17.754 1.164 25744 595 1 3 . 1 1 13 13 ALA H H 13 8.523 8.523 7.608 0.915 25744 596 1 3 . 1 1 14 14 GLN N N 14 120.926 120.926 115.428 5.498 25744 597 1 3 . 1 1 14 14 GLN CA C 14 58.978 58.978 57.566 1.412 25744 598 1 3 . 1 1 14 14 GLN CB C 14 27.689 27.689 28.609 -0.920 25744 599 1 3 . 1 1 14 14 GLN H H 14 8.046 8.046 8.235 -0.189 25744 600 1 3 . 1 1 15 15 CYS N N 15 118.916 118.916 117.248 1.668 25744 601 1 3 . 1 1 15 15 CYS CA C 15 59.334 59.334 59.878 -0.544 25744 602 1 3 . 1 1 15 15 CYS CB C 15 35.748 35.748 29.209 6.539 25744 603 1 3 . 1 1 15 15 CYS H H 15 7.108 7.108 7.845 -0.737 25744 604 1 3 . 1 1 16 16 GLU N N 16 120.227 120.227 120.245 -0.018 25744 605 1 3 . 1 1 16 16 GLU CA C 16 58.978 58.978 58.801 0.177 25744 606 1 3 . 1 1 16 16 GLU CB C 16 30.051 30.051 30.650 -0.599 25744 607 1 3 . 1 1 16 16 GLU H H 16 8.776 8.776 8.256 0.520 25744 608 1 3 . 1 1 17 17 SER N N 17 109.577 109.577 113.976 -4.399 25744 609 1 3 . 1 1 17 17 SER CA C 17 57.771 57.771 58.976 -1.205 25744 610 1 3 . 1 1 17 17 SER CB C 17 66.563 66.563 64.111 2.453 25744 611 1 3 . 1 1 17 17 SER H H 17 8.467 8.467 8.250 0.217 25744 612 1 3 . 1 1 18 18 GLY N N 18 113.669 113.669 108.929 4.740 25744 613 1 3 . 1 1 18 18 GLY CA C 18 46.652 46.652 45.880 0.772 25744 614 1 3 . 1 1 18 18 GLY H H 18 7.598 7.598 7.971 -0.373 25744 615 1 3 . 1 1 19 19 GLY N N 19 106.884 106.884 107.982 -1.098 25744 616 1 3 . 1 1 19 19 GLY CA C 19 45.467 45.467 45.142 0.325 25744 617 1 3 . 1 1 19 19 GLY H H 19 7.476 7.476 7.544 -0.068 25744 618 1 3 . 1 1 20 20 ASN N N 20 116.428 116.428 119.879 -3.451 25744 619 1 3 . 1 1 20 20 ASN CA C 20 50.445 50.445 52.342 -1.897 25744 620 1 3 . 1 1 20 20 ASN CB C 20 38.510 38.510 41.049 -2.539 25744 621 1 3 . 1 1 20 20 ASN H H 20 6.580 6.580 7.882 -1.302 25744 622 1 3 . 1 1 21 21 TRP N N 21 124.313 124.313 124.844 -0.531 25744 623 1 3 . 1 1 21 21 TRP CA C 21 60.400 60.400 62.124 -1.724 25744 624 1 3 . 1 1 21 21 TRP CB C 21 27.689 27.689 29.355 -1.666 25744 625 1 3 . 1 1 21 21 TRP H H 21 8.262 8.262 9.060 -0.798 25744 626 1 3 . 1 1 22 22 ALA N N 22 120.192 120.192 120.982 -0.790 25744 627 1 3 . 1 1 22 22 ALA CA C 22 50.208 50.208 53.295 -3.087 25744 628 1 3 . 1 1 22 22 ALA CB C 22 19.037 19.037 17.859 1.178 25744 629 1 3 . 1 1 22 22 ALA H H 22 7.668 7.668 8.187 -0.519 25744 630 1 3 . 1 1 23 23 ALA N N 23 121.314 121.314 120.656 0.658 25744 631 1 3 . 1 1 23 23 ALA CA C 23 54.711 54.711 52.075 2.636 25744 632 1 3 . 1 1 23 23 ALA CB C 23 18.701 18.701 17.854 0.847 25744 633 1 3 . 1 1 23 23 ALA H H 23 6.929 6.929 7.948 -1.019 25744 634 1 3 . 1 1 24 24 ASN N N 24 119.494 119.494 120.384 -0.890 25744 635 1 3 . 1 1 24 24 ASN CA C 24 52.459 52.459 52.958 -0.499 25744 636 1 3 . 1 1 24 24 ASN CB C 24 37.170 37.170 37.331 -0.161 25744 637 1 3 . 1 1 24 24 ASN H H 24 8.678 8.678 8.640 0.038 25744 638 1 3 . 1 1 25 25 THR N N 25 113.697 113.697 112.768 0.929 25744 639 1 3 . 1 1 25 25 THR CA C 25 61.941 61.941 61.996 -0.055 25744 640 1 3 . 1 1 25 25 THR CB C 25 69.171 69.171 69.498 -0.327 25744 641 1 3 . 1 1 25 25 THR H H 25 9.174 9.174 8.254 0.920 25744 642 1 3 . 1 1 26 26 GLY N N 26 110.554 110.554 112.137 -1.583 25744 643 1 3 . 1 1 26 26 GLY CA C 26 45.822 45.822 45.369 0.453 25744 644 1 3 . 1 1 26 26 GLY H H 26 8.381 8.381 8.152 0.229 25744 645 1 3 . 1 1 27 27 ASN N N 27 118.272 118.272 118.730 -0.458 25744 646 1 3 . 1 1 27 27 ASN CA C 27 51.985 51.985 51.652 0.333 25744 647 1 3 . 1 1 27 27 ASN CB C 27 37.436 37.436 38.293 -0.857 25744 648 1 3 . 1 1 27 27 ASN H H 27 7.718 7.718 8.548 -0.830 25744 649 1 3 . 1 1 28 28 GLY N N 28 108.669 108.669 107.598 1.071 25744 650 1 3 . 1 1 28 28 GLY CA C 28 45.348 45.348 45.764 -0.416 25744 651 1 3 . 1 1 28 28 GLY H H 28 8.287 8.287 7.527 0.760 25744 652 1 3 . 1 1 29 29 LYS N N 29 116.881 116.881 119.031 -2.150 25744 653 1 3 . 1 1 29 29 LYS CA C 29 54.119 54.119 54.745 -0.626 25744 654 1 3 . 1 1 29 29 LYS CB C 29 35.184 35.184 35.530 -0.346 25744 655 1 3 . 1 1 29 29 LYS H H 29 7.256 7.256 7.547 -0.291 25744 656 1 3 . 1 1 30 30 TYR N N 30 115.548 115.548 119.038 -3.490 25744 657 1 3 . 1 1 30 30 TYR CA C 30 58.148 58.148 57.075 1.073 25744 658 1 3 . 1 1 30 30 TYR CB C 30 44.163 44.163 41.306 2.857 25744 659 1 3 . 1 1 30 30 TYR H H 30 8.421 8.421 8.526 -0.105 25744 660 1 3 . 1 1 31 31 GLY N N 31 110.774 110.774 112.776 -2.002 25744 661 1 3 . 1 1 31 31 GLY CA C 31 44.767 44.767 45.796 -1.029 25744 662 1 3 . 1 1 31 31 GLY H H 31 9.969 9.969 9.209 0.760 25744 663 1 3 . 1 1 32 32 GLY N N 32 109.262 109.262 106.554 2.708 25744 664 1 3 . 1 1 32 32 GLY CA C 32 46.193 46.193 45.454 0.739 25744 665 1 3 . 1 1 32 32 GLY H H 32 9.008 9.008 8.199 0.809 25744 666 1 3 . 1 1 33 33 LEU N N 33 115.269 115.269 120.250 -4.981 25744 667 1 3 . 1 1 33 33 LEU CA C 33 52.815 52.815 53.831 -1.016 25744 668 1 3 . 1 1 33 33 LEU CB C 33 41.556 41.556 41.744 -0.188 25744 669 1 3 . 1 1 33 33 LEU H H 33 7.843 7.843 7.950 -0.107 25744 670 1 3 . 1 1 34 34 GLN N N 34 112.176 112.176 118.183 -6.007 25744 671 1 3 . 1 1 34 34 GLN CA C 34 55.304 55.304 56.908 -1.605 25744 672 1 3 . 1 1 34 34 GLN CB C 34 27.333 27.333 27.497 -0.164 25744 673 1 3 . 1 1 34 34 GLN H H 34 7.321 7.321 8.195 -0.874 25744 674 1 3 . 1 1 35 35 PHE N N 35 116.246 116.246 119.766 -3.520 25744 675 1 3 . 1 1 35 35 PHE CA C 35 59.334 59.334 57.615 1.719 25744 676 1 3 . 1 1 35 35 PHE CB C 35 41.793 41.793 39.758 2.035 25744 677 1 3 . 1 1 35 35 PHE H H 35 7.708 7.708 7.778 -0.070 25744 678 1 3 . 1 1 36 36 LYS N N 36 122.039 122.039 128.124 -6.085 25744 679 1 3 . 1 1 36 36 LYS CA C 36 54.711 54.711 56.389 -1.678 25744 680 1 3 . 1 1 36 36 LYS CB C 36 32.193 32.193 32.398 -0.205 25744 681 1 3 . 1 1 36 36 LYS H H 36 9.110 9.110 8.216 0.894 25744 682 1 3 . 1 1 37 37 PRO CA C 37 66.626 66.626 65.832 0.794 25744 683 1 3 . 1 1 37 37 PRO CB C 37 32.234 32.234 31.922 0.312 25744 684 1 3 . 1 1 39 39 THR N N 39 115.976 115.976 114.595 1.381 25744 685 1 3 . 1 1 39 39 THR CA C 39 65.971 65.971 65.675 0.296 25744 686 1 3 . 1 1 39 39 THR CB C 39 69.550 69.550 68.511 1.039 25744 687 1 3 . 1 1 39 39 THR H H 39 7.046 7.046 7.403 -0.357 25744 688 1 3 . 1 1 40 40 TRP N N 40 120.053 120.053 123.813 -3.760 25744 689 1 3 . 1 1 40 40 TRP CA C 40 60.163 60.163 59.826 0.337 25744 690 1 3 . 1 1 40 40 TRP CB C 40 30.317 30.317 29.620 0.697 25744 691 1 3 . 1 1 40 40 TRP H H 40 7.810 7.810 8.658 -0.848 25744 692 1 3 . 1 1 41 41 ALA N N 41 117.049 117.049 122.135 -5.086 25744 693 1 3 . 1 1 41 41 ALA CA C 41 54.119 54.119 55.074 -0.955 25744 694 1 3 . 1 1 41 41 ALA CB C 41 18.800 18.800 17.797 1.003 25744 695 1 3 . 1 1 41 41 ALA H H 41 8.117 8.117 8.695 -0.578 25744 696 1 3 . 1 1 42 42 ALA N N 42 120.416 120.416 121.965 -1.549 25744 697 1 3 . 1 1 42 42 ALA CA C 42 53.408 53.408 54.733 -1.325 25744 698 1 3 . 1 1 42 42 ALA CB C 42 18.020 18.020 18.941 -0.921 25744 699 1 3 . 1 1 42 42 ALA H H 42 7.678 7.678 8.015 -0.337 25744 700 1 3 . 1 1 43 43 PHE N N 43 113.805 113.805 116.155 -2.350 25744 701 1 3 . 1 1 43 43 PHE CA C 43 57.911 57.911 57.114 0.797 25744 702 1 3 . 1 1 43 43 PHE CB C 43 38.711 38.711 38.769 -0.058 25744 703 1 3 . 1 1 43 43 PHE H H 43 7.044 7.044 7.693 -0.649 25744 704 1 3 . 1 1 44 44 GLY N N 44 104.034 104.034 107.384 -3.350 25744 705 1 3 . 1 1 44 44 GLY CA C 44 45.963 45.963 44.806 1.157 25744 706 1 3 . 1 1 44 44 GLY H H 44 7.099 7.099 8.187 -1.088 25744 707 1 3 . 1 1 45 45 GLY N N 45 110.240 110.240 108.377 1.863 25744 708 1 3 . 1 1 45 45 GLY CA C 45 44.622 44.622 45.799 -1.177 25744 709 1 3 . 1 1 45 45 GLY H H 45 8.015 8.015 8.144 -0.129 25744 710 1 3 . 1 1 46 46 VAL N N 46 122.532 122.532 121.295 1.237 25744 711 1 3 . 1 1 46 46 VAL CA C 46 60.910 60.910 62.888 -1.978 25744 712 1 3 . 1 1 46 46 VAL CB C 46 34.444 34.444 32.099 2.345 25744 713 1 3 . 1 1 46 46 VAL H H 46 7.854 7.854 7.815 0.039 25744 714 1 3 . 1 1 47 47 GLY N N 47 114.605 114.605 113.573 1.032 25744 715 1 3 . 1 1 47 47 GLY CA C 47 45.230 45.230 45.653 -0.423 25744 716 1 3 . 1 1 48 48 ASN N N 48 121.458 121.458 121.318 0.140 25744 717 1 3 . 1 1 48 48 ASN CA C 48 57.494 57.494 57.450 0.043 25744 718 1 3 . 1 1 48 48 ASN CB C 48 31.011 31.011 37.179 -6.168 25744 719 1 3 . 1 1 48 48 ASN H H 48 8.500 8.500 8.588 -0.088 25744 720 1 3 . 1 1 49 49 PRO CA C 49 64.978 64.978 64.841 0.136 25744 721 1 3 . 1 1 49 49 PRO CB C 49 30.885 30.885 30.584 0.301 25744 722 1 3 . 1 1 50 50 ALA N N 50 110.593 110.593 120.911 -10.318 25744 723 1 3 . 1 1 50 50 ALA CA C 50 53.171 53.171 53.951 -0.780 25744 724 1 3 . 1 1 50 50 ALA CB C 50 18.404 18.404 18.645 -0.241 25744 725 1 3 . 1 1 50 50 ALA H H 50 7.787 7.787 7.278 0.509 25744 726 1 3 . 1 1 51 51 ALA N N 51 118.962 118.962 120.799 -1.837 25744 727 1 3 . 1 1 51 51 ALA CA C 51 51.037 51.037 52.263 -1.226 25744 728 1 3 . 1 1 51 51 ALA CB C 51 19.507 19.507 19.690 -0.183 25744 729 1 3 . 1 1 51 51 ALA H H 51 7.436 7.436 8.099 -0.663 25744 730 1 3 . 1 1 52 52 ALA N N 52 122.852 122.852 122.810 0.042 25744 731 1 3 . 1 1 52 52 ALA CA C 52 50.682 50.682 52.044 -1.363 25744 732 1 3 . 1 1 52 52 ALA CB C 52 20.654 20.654 19.087 1.567 25744 733 1 3 . 1 1 52 52 ALA H H 52 7.080 7.080 8.174 -1.094 25744 734 1 3 . 1 1 53 53 SER N N 53 119.459 119.459 119.159 0.300 25744 735 1 3 . 1 1 53 53 SER CA C 53 57.437 57.437 57.823 -0.386 25744 736 1 3 . 1 1 53 53 SER CB C 53 64.914 64.914 63.783 1.131 25744 737 1 3 . 1 1 53 53 SER H H 53 8.916 8.916 8.526 0.390 25744 738 1 3 . 1 1 54 54 ARG N N 54 122.357 122.357 123.548 -1.191 25744 739 1 3 . 1 1 54 54 ARG CA C 54 59.334 59.334 59.582 -0.248 25744 740 1 3 . 1 1 54 54 ARG CB C 54 29.111 29.111 29.339 -0.228 25744 741 1 3 . 1 1 54 54 ARG H H 54 8.791 8.791 8.671 0.120 25744 742 1 3 . 1 1 55 55 GLU N N 55 114.989 114.989 117.832 -2.843 25744 743 1 3 . 1 1 55 55 GLU CA C 55 61.348 61.348 59.437 1.911 25744 744 1 3 . 1 1 55 55 GLU CB C 55 28.756 28.756 28.933 -0.177 25744 745 1 3 . 1 1 55 55 GLU H H 55 8.214 8.214 8.439 -0.225 25744 746 1 3 . 1 1 56 56 GLN N N 56 121.065 121.065 119.259 1.806 25744 747 1 3 . 1 1 56 56 GLN CA C 56 58.504 58.504 58.475 0.029 25744 748 1 3 . 1 1 56 56 GLN CB C 56 29.704 29.704 28.213 1.491 25744 749 1 3 . 1 1 56 56 GLN H H 56 7.975 7.975 7.515 0.460 25744 750 1 3 . 1 1 57 57 GLN N N 57 120.192 120.192 119.565 0.627 25744 751 1 3 . 1 1 57 57 GLN CA C 57 60.400 60.400 58.404 1.996 25744 752 1 3 . 1 1 57 57 GLN CB C 57 30.178 30.178 28.724 1.454 25744 753 1 3 . 1 1 57 57 GLN H H 57 8.492 8.492 8.326 0.166 25744 754 1 3 . 1 1 58 58 ILE N N 58 120.157 120.157 117.307 2.850 25744 755 1 3 . 1 1 58 58 ILE CA C 58 65.952 65.952 64.247 1.705 25744 756 1 3 . 1 1 58 58 ILE CB C 58 37.747 37.747 36.333 1.414 25744 757 1 3 . 1 1 58 58 ILE H H 58 8.347 8.347 8.255 0.092 25744 758 1 3 . 1 1 59 59 ALA N N 59 121.345 121.345 122.401 -1.056 25744 759 1 3 . 1 1 59 59 ALA CA C 59 55.304 55.304 55.402 -0.098 25744 760 1 3 . 1 1 59 59 ALA CB C 59 17.970 17.970 17.764 0.206 25744 761 1 3 . 1 1 59 59 ALA H H 59 7.657 7.657 7.935 -0.278 25744 762 1 3 . 1 1 60 60 VAL N N 60 117.152 117.152 119.185 -2.033 25744 763 1 3 . 1 1 60 60 VAL CA C 60 66.208 66.208 65.390 0.818 25744 764 1 3 . 1 1 60 60 VAL CB C 60 31.481 31.481 30.584 0.897 25744 765 1 3 . 1 1 60 60 VAL H H 60 7.144 7.144 7.443 -0.299 25744 766 1 3 . 1 1 61 61 ALA N N 61 123.936 123.936 121.459 2.477 25744 767 1 3 . 1 1 61 61 ALA CA C 61 56.371 56.371 55.181 1.190 25744 768 1 3 . 1 1 61 61 ALA CB C 61 16.482 16.482 18.305 -1.823 25744 769 1 3 . 1 1 61 61 ALA H H 61 8.225 8.225 8.706 -0.481 25744 770 1 3 . 1 1 62 62 ASN N N 62 114.116 114.116 117.569 -3.453 25744 771 1 3 . 1 1 62 62 ASN CA C 62 56.845 56.845 56.648 0.197 25744 772 1 3 . 1 1 62 62 ASN CB C 62 38.356 38.356 38.461 -0.105 25744 773 1 3 . 1 1 62 62 ASN H H 62 8.500 8.500 8.383 0.117 25744 774 1 3 . 1 1 63 63 ARG N N 63 122.173 122.173 119.653 2.520 25744 775 1 3 . 1 1 63 63 ARG CA C 63 59.926 59.926 58.888 1.038 25744 776 1 3 . 1 1 63 63 ARG CB C 63 30.889 30.889 30.527 0.362 25744 777 1 3 . 1 1 63 63 ARG H H 63 7.474 7.474 7.708 -0.234 25744 778 1 3 . 1 1 64 64 VAL N N 64 121.659 121.659 120.858 0.801 25744 779 1 3 . 1 1 64 64 VAL CA C 64 65.852 65.852 65.634 0.218 25744 780 1 3 . 1 1 64 64 VAL CB C 64 31.718 31.718 31.012 0.706 25744 781 1 3 . 1 1 64 64 VAL H H 64 8.107 8.107 8.271 -0.164 25744 782 1 3 . 1 1 65 65 LEU N N 65 120.681 120.681 120.191 0.490 25744 783 1 3 . 1 1 65 65 LEU CA C 65 57.556 57.556 58.907 -1.351 25744 784 1 3 . 1 1 65 65 LEU CB C 65 43.333 43.333 40.910 2.423 25744 785 1 3 . 1 1 65 65 LEU H H 65 8.948 8.948 8.033 0.915 25744 786 1 3 . 1 1 66 66 ALA N N 66 118.509 118.509 121.571 -3.062 25744 787 1 3 . 1 1 66 66 ALA CA C 66 54.830 54.830 54.653 0.177 25744 788 1 3 . 1 1 66 66 ALA CB C 66 19.155 19.155 18.324 0.831 25744 789 1 3 . 1 1 66 66 ALA H H 66 7.390 7.390 7.764 -0.374 25744 790 1 3 . 1 1 67 67 GLU N N 67 114.309 114.309 119.344 -5.035 25744 791 1 3 . 1 1 67 67 GLU CA C 67 57.700 57.700 58.288 -0.588 25744 792 1 3 . 1 1 67 67 GLU CB C 67 32.531 32.531 30.097 2.434 25744 793 1 3 . 1 1 67 67 GLU H H 67 7.369 7.369 7.853 -0.484 25744 794 1 3 . 1 1 68 68 GLN N N 68 116.281 116.281 117.597 -1.316 25744 795 1 3 . 1 1 68 68 GLN CA C 68 55.778 55.778 55.511 0.267 25744 796 1 3 . 1 1 68 68 GLN CB C 68 30.889 30.889 30.121 0.768 25744 797 1 3 . 1 1 68 68 GLN H H 68 8.914 8.914 8.437 0.477 25744 798 1 3 . 1 1 69 69 GLY N N 69 109.577 109.577 107.634 1.943 25744 799 1 3 . 1 1 69 69 GLY CA C 69 45.941 45.941 44.547 1.394 25744 800 1 3 . 1 1 69 69 GLY H H 69 8.134 8.134 7.668 0.466 25744 801 1 3 . 1 1 70 70 LEU N N 70 121.331 121.331 116.235 5.096 25744 802 1 3 . 1 1 70 70 LEU CA C 70 54.522 54.522 55.955 -1.433 25744 803 1 3 . 1 1 70 70 LEU CB C 70 41.954 41.954 41.913 0.040 25744 804 1 3 . 1 1 70 70 LEU H H 70 8.519 8.519 8.326 0.193 25744 805 1 3 . 1 1 71 71 ASP N N 71 120.681 120.681 121.410 -0.729 25744 806 1 3 . 1 1 71 71 ASP CA C 71 57.082 57.082 57.352 -0.270 25744 807 1 3 . 1 1 71 71 ASP CB C 71 40.844 40.844 40.333 0.511 25744 808 1 3 . 1 1 71 71 ASP H H 71 7.718 7.718 8.407 -0.689 25744 809 1 3 . 1 1 72 72 ALA N N 72 119.110 119.110 120.215 -1.105 25744 810 1 3 . 1 1 72 72 ALA CA C 72 53.289 53.289 53.289 -0.000 25744 811 1 3 . 1 1 72 72 ALA CB C 72 15.885 15.885 18.345 -2.460 25744 812 1 3 . 1 1 72 72 ALA H H 72 8.009 8.009 7.845 0.164 25744 813 1 3 . 1 1 73 73 TRP N N 73 117.503 117.503 117.072 0.431 25744 814 1 3 . 1 1 73 73 TRP CA C 73 56.963 56.963 54.516 2.447 25744 815 1 3 . 1 1 73 73 TRP CB C 73 28.163 28.163 29.064 -0.901 25744 816 1 3 . 1 1 73 73 TRP H H 73 7.791 7.791 7.794 -0.003 25744 817 1 3 . 1 1 74 74 PRO CA C 74 65.586 65.586 64.497 1.089 25744 818 1 3 . 1 1 74 74 PRO CB C 74 32.234 32.234 32.111 0.124 25744 819 1 3 . 1 1 75 75 THR N N 75 111.008 111.008 113.871 -2.863 25744 820 1 3 . 1 1 75 75 THR CA C 75 63.482 63.482 63.771 -0.289 25744 821 1 3 . 1 1 75 75 THR CB C 75 68.815 68.815 68.865 -0.050 25744 822 1 3 . 1 1 75 75 THR H H 75 8.197 8.197 8.434 -0.237 25744 823 1 3 . 1 1 76 76 CYS N N 76 119.131 119.131 122.471 -3.340 25744 824 1 3 . 1 1 76 76 CYS CA C 76 54.853 54.853 58.545 -3.692 25744 825 1 3 . 1 1 76 76 CYS CB C 76 39.280 39.280 26.016 13.264 25744 826 1 3 . 1 1 76 76 CYS H H 76 8.144 8.144 8.132 0.012 25744 827 1 3 . 1 1 77 77 GLY N N 77 110.834 110.834 111.626 -0.792 25744 828 1 3 . 1 1 77 77 GLY CA C 77 48.430 48.430 45.064 3.366 25744 829 1 3 . 1 1 77 77 GLY H H 77 8.774 8.774 8.314 0.460 25744 830 1 3 . 1 1 78 78 ALA N N 78 123.300 123.300 122.909 0.391 25744 831 1 3 . 1 1 78 78 ALA CA C 78 53.882 53.882 54.220 -0.338 25744 832 1 3 . 1 1 78 78 ALA CB C 78 18.563 18.563 18.256 0.307 25744 833 1 3 . 1 1 78 78 ALA H H 78 8.142 8.142 8.284 -0.142 25744 834 1 3 . 1 1 80 80 SER N N 80 111.423 111.423 112.134 -0.711 25744 835 1 3 . 1 1 80 80 SER CA C 80 59.723 59.723 58.413 1.310 25744 836 1 3 . 1 1 80 80 SER CB C 80 63.648 63.648 64.418 -0.770 25744 837 1 3 . 1 1 80 80 SER H H 80 7.742 7.742 7.829 -0.087 25744 838 1 3 . 1 1 81 81 GLY N N 81 111.317 111.317 110.448 0.869 25744 839 1 3 . 1 1 81 81 GLY CA C 81 45.430 45.430 45.472 -0.042 25744 840 1 3 . 1 1 81 81 GLY H H 81 7.562 7.562 7.695 -0.133 25744 841 1 4 . 1 1 4 4 GLY N N 4 110.205 110.205 109.239 0.966 25744 842 1 4 . 1 1 4 4 GLY CA C 4 44.519 44.519 45.157 -0.638 25744 843 1 4 . 1 1 4 4 GLY H H 4 8.067 8.067 8.346 -0.279 25744 844 1 4 . 1 1 5 5 PRO CA C 5 63.030 63.030 63.053 -0.023 25744 845 1 4 . 1 1 5 5 PRO CB C 5 32.458 32.458 32.135 0.323 25744 846 1 4 . 1 1 6 6 SER N N 6 116.630 116.630 119.198 -2.568 25744 847 1 4 . 1 1 6 6 SER CA C 6 56.015 56.015 56.385 -0.370 25744 848 1 4 . 1 1 6 6 SER CB C 6 63.363 63.363 64.321 -0.958 25744 849 1 4 . 1 1 6 6 SER H H 6 8.304 8.304 8.363 -0.059 25744 850 1 4 . 1 1 7 7 PRO CA C 7 62.430 62.430 62.729 -0.299 25744 851 1 4 . 1 1 7 7 PRO CB C 7 30.960 30.960 32.044 -1.084 25744 852 1 4 . 1 1 8 8 ASN N N 8 120.122 120.122 120.732 -0.610 25744 853 1 4 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.947 -2.147 25744 854 1 4 . 1 1 8 8 ASN CB C 8 36.222 36.222 40.127 -3.905 25744 855 1 4 . 1 1 8 8 ASN H H 8 8.667 8.667 8.239 0.428 25744 856 1 4 . 1 1 9 9 TRP N N 9 123.684 123.684 122.232 1.452 25744 857 1 4 . 1 1 9 9 TRP CA C 9 59.215 59.215 60.874 -1.659 25744 858 1 4 . 1 1 9 9 TRP CB C 9 30.780 30.780 29.611 1.169 25744 859 1 4 . 1 1 9 9 TRP H H 9 7.691 7.691 8.838 -1.147 25744 860 1 4 . 1 1 10 10 ASP N N 10 118.132 118.132 118.647 -0.515 25744 861 1 4 . 1 1 10 10 ASP CA C 10 58.622 58.622 57.549 1.073 25744 862 1 4 . 1 1 10 10 ASP CB C 10 40.844 40.844 40.480 0.364 25744 863 1 4 . 1 1 10 10 ASP H H 10 8.320 8.320 8.632 -0.312 25744 864 1 4 . 1 1 11 11 ALA N N 11 124.299 124.299 121.141 3.158 25744 865 1 4 . 1 1 11 11 ALA CA C 11 54.593 54.593 54.968 -0.375 25744 866 1 4 . 1 1 11 11 ALA CB C 11 18.681 18.681 18.531 0.150 25744 867 1 4 . 1 1 11 11 ALA H H 11 7.395 7.395 8.332 -0.937 25744 868 1 4 . 1 1 12 12 VAL N N 12 120.997 120.997 119.122 1.875 25744 869 1 4 . 1 1 12 12 VAL CA C 12 66.682 66.682 65.934 0.748 25744 870 1 4 . 1 1 12 12 VAL CB C 12 31.481 31.481 30.309 1.172 25744 871 1 4 . 1 1 12 12 VAL H H 12 7.464 7.464 7.546 -0.082 25744 872 1 4 . 1 1 13 13 ALA N N 13 121.205 121.205 120.995 0.210 25744 873 1 4 . 1 1 13 13 ALA CA C 13 54.711 54.711 55.182 -0.471 25744 874 1 4 . 1 1 13 13 ALA CB C 13 18.918 18.918 17.745 1.173 25744 875 1 4 . 1 1 13 13 ALA H H 13 8.523 8.523 7.680 0.843 25744 876 1 4 . 1 1 14 14 GLN N N 14 120.926 120.926 116.586 4.340 25744 877 1 4 . 1 1 14 14 GLN CA C 14 58.978 58.978 57.887 1.091 25744 878 1 4 . 1 1 14 14 GLN CB C 14 27.689 27.689 28.936 -1.247 25744 879 1 4 . 1 1 14 14 GLN H H 14 8.046 8.046 8.313 -0.267 25744 880 1 4 . 1 1 15 15 CYS N N 15 118.916 118.916 117.299 1.617 25744 881 1 4 . 1 1 15 15 CYS CA C 15 59.334 59.334 59.163 0.171 25744 882 1 4 . 1 1 15 15 CYS CB C 15 35.748 35.748 28.764 6.984 25744 883 1 4 . 1 1 15 15 CYS H H 15 7.108 7.108 7.699 -0.591 25744 884 1 4 . 1 1 16 16 GLU N N 16 120.227 120.227 119.837 0.390 25744 885 1 4 . 1 1 16 16 GLU CA C 16 58.978 58.978 58.577 0.401 25744 886 1 4 . 1 1 16 16 GLU CB C 16 30.051 30.051 30.580 -0.529 25744 887 1 4 . 1 1 16 16 GLU H H 16 8.776 8.776 8.637 0.139 25744 888 1 4 . 1 1 17 17 SER N N 17 109.577 109.577 111.855 -2.278 25744 889 1 4 . 1 1 17 17 SER CA C 17 57.771 57.771 58.318 -0.547 25744 890 1 4 . 1 1 17 17 SER CB C 17 66.563 66.563 65.406 1.157 25744 891 1 4 . 1 1 17 17 SER H H 17 8.467 8.467 8.160 0.307 25744 892 1 4 . 1 1 18 18 GLY N N 18 113.669 113.669 108.916 4.753 25744 893 1 4 . 1 1 18 18 GLY CA C 18 46.652 46.652 44.732 1.920 25744 894 1 4 . 1 1 18 18 GLY H H 18 7.598 7.598 7.941 -0.343 25744 895 1 4 . 1 1 19 19 GLY N N 19 106.884 106.884 108.108 -1.224 25744 896 1 4 . 1 1 19 19 GLY CA C 19 45.467 45.467 45.598 -0.131 25744 897 1 4 . 1 1 19 19 GLY H H 19 7.476 7.476 7.576 -0.100 25744 898 1 4 . 1 1 20 20 ASN N N 20 116.428 116.428 121.614 -5.186 25744 899 1 4 . 1 1 20 20 ASN CA C 20 50.445 50.445 52.797 -2.352 25744 900 1 4 . 1 1 20 20 ASN CB C 20 38.510 38.510 39.592 -1.082 25744 901 1 4 . 1 1 20 20 ASN H H 20 6.580 6.580 7.827 -1.247 25744 902 1 4 . 1 1 21 21 TRP N N 21 124.313 124.313 123.995 0.318 25744 903 1 4 . 1 1 21 21 TRP CA C 21 60.400 60.400 60.410 -0.010 25744 904 1 4 . 1 1 21 21 TRP CB C 21 27.689 27.689 29.488 -1.799 25744 905 1 4 . 1 1 21 21 TRP H H 21 8.262 8.262 8.820 -0.558 25744 906 1 4 . 1 1 22 22 ALA N N 22 120.192 120.192 118.388 1.804 25744 907 1 4 . 1 1 22 22 ALA CA C 22 50.208 50.208 52.629 -2.421 25744 908 1 4 . 1 1 22 22 ALA CB C 22 19.037 19.037 18.244 0.793 25744 909 1 4 . 1 1 22 22 ALA H H 22 7.668 7.668 8.096 -0.428 25744 910 1 4 . 1 1 23 23 ALA N N 23 121.314 121.314 121.863 -0.549 25744 911 1 4 . 1 1 23 23 ALA CA C 23 54.711 54.711 52.295 2.416 25744 912 1 4 . 1 1 23 23 ALA CB C 23 18.701 18.701 16.848 1.853 25744 913 1 4 . 1 1 23 23 ALA H H 23 6.929 6.929 7.810 -0.881 25744 914 1 4 . 1 1 24 24 ASN N N 24 119.494 119.494 118.424 1.070 25744 915 1 4 . 1 1 24 24 ASN CA C 24 52.459 52.459 53.899 -1.440 25744 916 1 4 . 1 1 24 24 ASN CB C 24 37.170 37.170 38.026 -0.856 25744 917 1 4 . 1 1 24 24 ASN H H 24 8.678 8.678 8.719 -0.041 25744 918 1 4 . 1 1 25 25 THR N N 25 113.697 113.697 109.432 4.265 25744 919 1 4 . 1 1 25 25 THR CA C 25 61.941 61.941 61.951 -0.010 25744 920 1 4 . 1 1 25 25 THR CB C 25 69.171 69.171 69.484 -0.313 25744 921 1 4 . 1 1 25 25 THR H H 25 9.174 9.174 7.830 1.344 25744 922 1 4 . 1 1 26 26 GLY N N 26 110.554 110.554 112.595 -2.041 25744 923 1 4 . 1 1 26 26 GLY CA C 26 45.822 45.822 45.127 0.695 25744 924 1 4 . 1 1 26 26 GLY H H 26 8.381 8.381 8.103 0.278 25744 925 1 4 . 1 1 27 27 ASN N N 27 118.272 118.272 119.640 -1.368 25744 926 1 4 . 1 1 27 27 ASN CA C 27 51.985 51.985 52.726 -0.741 25744 927 1 4 . 1 1 27 27 ASN CB C 27 37.436 37.436 38.359 -0.923 25744 928 1 4 . 1 1 27 27 ASN H H 27 7.718 7.718 8.106 -0.388 25744 929 1 4 . 1 1 28 28 GLY N N 28 108.669 108.669 106.446 2.223 25744 930 1 4 . 1 1 28 28 GLY CA C 28 45.348 45.348 45.756 -0.408 25744 931 1 4 . 1 1 28 28 GLY H H 28 8.287 8.287 7.638 0.649 25744 932 1 4 . 1 1 29 29 LYS N N 29 116.881 116.881 118.669 -1.788 25744 933 1 4 . 1 1 29 29 LYS CA C 29 54.119 54.119 55.372 -1.253 25744 934 1 4 . 1 1 29 29 LYS CB C 29 35.184 35.184 35.852 -0.668 25744 935 1 4 . 1 1 29 29 LYS H H 29 7.256 7.256 7.354 -0.098 25744 936 1 4 . 1 1 30 30 TYR N N 30 115.548 115.548 118.925 -3.377 25744 937 1 4 . 1 1 30 30 TYR CA C 30 58.148 58.148 57.759 0.389 25744 938 1 4 . 1 1 30 30 TYR CB C 30 44.163 44.163 42.020 2.143 25744 939 1 4 . 1 1 30 30 TYR H H 30 8.421 8.421 8.505 -0.084 25744 940 1 4 . 1 1 31 31 GLY N N 31 110.774 110.774 111.211 -0.437 25744 941 1 4 . 1 1 31 31 GLY CA C 31 44.767 44.767 45.806 -1.039 25744 942 1 4 . 1 1 31 31 GLY H H 31 9.969 9.969 8.764 1.205 25744 943 1 4 . 1 1 32 32 GLY N N 32 109.262 109.262 107.430 1.832 25744 944 1 4 . 1 1 32 32 GLY CA C 32 46.193 46.193 45.086 1.107 25744 945 1 4 . 1 1 32 32 GLY H H 32 9.008 9.008 8.225 0.783 25744 946 1 4 . 1 1 33 33 LEU N N 33 115.269 115.269 119.773 -4.504 25744 947 1 4 . 1 1 33 33 LEU CA C 33 52.815 52.815 52.540 0.275 25744 948 1 4 . 1 1 33 33 LEU CB C 33 41.556 41.556 41.242 0.314 25744 949 1 4 . 1 1 33 33 LEU H H 33 7.843 7.843 7.105 0.738 25744 950 1 4 . 1 1 34 34 GLN N N 34 112.176 112.176 117.901 -5.725 25744 951 1 4 . 1 1 34 34 GLN CA C 34 55.304 55.304 56.955 -1.651 25744 952 1 4 . 1 1 34 34 GLN CB C 34 27.333 27.333 27.752 -0.418 25744 953 1 4 . 1 1 34 34 GLN H H 34 7.321 7.321 8.180 -0.859 25744 954 1 4 . 1 1 35 35 PHE N N 35 116.246 116.246 120.584 -4.338 25744 955 1 4 . 1 1 35 35 PHE CA C 35 59.334 59.334 57.315 2.019 25744 956 1 4 . 1 1 35 35 PHE CB C 35 41.793 41.793 40.123 1.670 25744 957 1 4 . 1 1 35 35 PHE H H 35 7.708 7.708 8.316 -0.608 25744 958 1 4 . 1 1 36 36 LYS N N 36 122.039 122.039 128.393 -6.354 25744 959 1 4 . 1 1 36 36 LYS CA C 36 54.711 54.711 56.303 -1.592 25744 960 1 4 . 1 1 36 36 LYS CB C 36 32.193 32.193 31.885 0.308 25744 961 1 4 . 1 1 36 36 LYS H H 36 9.110 9.110 8.554 0.556 25744 962 1 4 . 1 1 37 37 PRO CA C 37 66.626 66.626 65.595 1.031 25744 963 1 4 . 1 1 37 37 PRO CB C 37 32.234 32.234 32.002 0.232 25744 964 1 4 . 1 1 39 39 THR N N 39 115.976 115.976 114.583 1.393 25744 965 1 4 . 1 1 39 39 THR CA C 39 65.971 65.971 65.709 0.262 25744 966 1 4 . 1 1 39 39 THR CB C 39 69.550 69.550 68.483 1.067 25744 967 1 4 . 1 1 39 39 THR H H 39 7.046 7.046 7.512 -0.466 25744 968 1 4 . 1 1 40 40 TRP N N 40 120.053 120.053 123.533 -3.480 25744 969 1 4 . 1 1 40 40 TRP CA C 40 60.163 60.163 59.934 0.229 25744 970 1 4 . 1 1 40 40 TRP CB C 40 30.317 30.317 29.564 0.753 25744 971 1 4 . 1 1 40 40 TRP H H 40 7.810 7.810 8.580 -0.770 25744 972 1 4 . 1 1 41 41 ALA N N 41 117.049 117.049 121.817 -4.768 25744 973 1 4 . 1 1 41 41 ALA CA C 41 54.119 54.119 54.917 -0.798 25744 974 1 4 . 1 1 41 41 ALA CB C 41 18.800 18.800 17.744 1.056 25744 975 1 4 . 1 1 41 41 ALA H H 41 8.117 8.117 8.262 -0.145 25744 976 1 4 . 1 1 42 42 ALA N N 42 120.416 120.416 122.207 -1.791 25744 977 1 4 . 1 1 42 42 ALA CA C 42 53.408 53.408 54.584 -1.176 25744 978 1 4 . 1 1 42 42 ALA CB C 42 18.020 18.020 18.605 -0.585 25744 979 1 4 . 1 1 42 42 ALA H H 42 7.678 7.678 8.003 -0.325 25744 980 1 4 . 1 1 43 43 PHE N N 43 113.805 113.805 115.922 -2.117 25744 981 1 4 . 1 1 43 43 PHE CA C 43 57.911 57.911 56.564 1.347 25744 982 1 4 . 1 1 43 43 PHE CB C 43 38.711 38.711 38.456 0.255 25744 983 1 4 . 1 1 43 43 PHE H H 43 7.044 7.044 7.462 -0.418 25744 984 1 4 . 1 1 44 44 GLY N N 44 104.034 104.034 107.381 -3.347 25744 985 1 4 . 1 1 44 44 GLY CA C 44 45.963 45.963 44.787 1.176 25744 986 1 4 . 1 1 44 44 GLY H H 44 7.099 7.099 8.157 -1.058 25744 987 1 4 . 1 1 45 45 GLY N N 45 110.240 110.240 107.861 2.379 25744 988 1 4 . 1 1 45 45 GLY CA C 45 44.622 44.622 45.635 -1.013 25744 989 1 4 . 1 1 45 45 GLY H H 45 8.015 8.015 8.023 -0.008 25744 990 1 4 . 1 1 46 46 VAL N N 46 122.532 122.532 120.469 2.063 25744 991 1 4 . 1 1 46 46 VAL CA C 46 60.910 60.910 62.320 -1.410 25744 992 1 4 . 1 1 46 46 VAL CB C 46 34.444 34.444 32.684 1.760 25744 993 1 4 . 1 1 46 46 VAL H H 46 7.854 7.854 7.833 0.021 25744 994 1 4 . 1 1 47 47 GLY N N 47 114.605 114.605 114.895 -0.290 25744 995 1 4 . 1 1 47 47 GLY CA C 47 45.230 45.230 45.737 -0.507 25744 996 1 4 . 1 1 48 48 ASN N N 48 121.458 121.458 120.316 1.142 25744 997 1 4 . 1 1 48 48 ASN CA C 48 57.494 57.494 58.315 -0.821 25744 998 1 4 . 1 1 48 48 ASN CB C 48 31.011 31.011 37.590 -6.579 25744 999 1 4 . 1 1 48 48 ASN H H 48 8.500 8.500 8.530 -0.030 25744 1000 1 4 . 1 1 49 49 PRO CA C 49 64.978 64.978 64.788 0.190 25744 1001 1 4 . 1 1 49 49 PRO CB C 49 30.885 30.885 30.773 0.113 25744 1002 1 4 . 1 1 50 50 ALA N N 50 110.593 110.593 121.405 -10.812 25744 1003 1 4 . 1 1 50 50 ALA CA C 50 53.171 53.171 53.722 -0.551 25744 1004 1 4 . 1 1 50 50 ALA CB C 50 18.404 18.404 18.847 -0.443 25744 1005 1 4 . 1 1 50 50 ALA H H 50 7.787 7.787 7.735 0.052 25744 1006 1 4 . 1 1 51 51 ALA N N 51 118.962 118.962 118.908 0.054 25744 1007 1 4 . 1 1 51 51 ALA CA C 51 51.037 51.037 51.724 -0.687 25744 1008 1 4 . 1 1 51 51 ALA CB C 51 19.507 19.507 19.490 0.017 25744 1009 1 4 . 1 1 51 51 ALA H H 51 7.436 7.436 8.197 -0.761 25744 1010 1 4 . 1 1 52 52 ALA N N 52 122.852 122.852 120.904 1.948 25744 1011 1 4 . 1 1 52 52 ALA CA C 52 50.682 50.682 50.641 0.042 25744 1012 1 4 . 1 1 52 52 ALA CB C 52 20.654 20.654 20.680 -0.026 25744 1013 1 4 . 1 1 52 52 ALA H H 52 7.080 7.080 7.389 -0.309 25744 1014 1 4 . 1 1 53 53 SER N N 53 119.459 119.459 116.934 2.525 25744 1015 1 4 . 1 1 53 53 SER CA C 53 57.437 57.437 56.999 0.438 25744 1016 1 4 . 1 1 53 53 SER CB C 53 64.914 64.914 63.909 1.005 25744 1017 1 4 . 1 1 53 53 SER H H 53 8.916 8.916 8.456 0.460 25744 1018 1 4 . 1 1 54 54 ARG N N 54 122.357 122.357 124.275 -1.918 25744 1019 1 4 . 1 1 54 54 ARG CA C 54 59.334 59.334 59.525 -0.191 25744 1020 1 4 . 1 1 54 54 ARG CB C 54 29.111 29.111 29.117 -0.006 25744 1021 1 4 . 1 1 54 54 ARG H H 54 8.791 8.791 8.592 0.199 25744 1022 1 4 . 1 1 55 55 GLU N N 55 114.989 114.989 117.636 -2.647 25744 1023 1 4 . 1 1 55 55 GLU CA C 55 61.348 61.348 58.669 2.679 25744 1024 1 4 . 1 1 55 55 GLU CB C 55 28.756 28.756 29.301 -0.545 25744 1025 1 4 . 1 1 55 55 GLU H H 55 8.214 8.214 8.341 -0.127 25744 1026 1 4 . 1 1 56 56 GLN N N 56 121.065 121.065 119.053 2.012 25744 1027 1 4 . 1 1 56 56 GLN CA C 56 58.504 58.504 58.397 0.107 25744 1028 1 4 . 1 1 56 56 GLN CB C 56 29.704 29.704 28.551 1.153 25744 1029 1 4 . 1 1 56 56 GLN H H 56 7.975 7.975 7.224 0.751 25744 1030 1 4 . 1 1 57 57 GLN N N 57 120.192 120.192 119.836 0.356 25744 1031 1 4 . 1 1 57 57 GLN CA C 57 60.400 60.400 57.877 2.523 25744 1032 1 4 . 1 1 57 57 GLN CB C 57 30.178 30.178 28.383 1.795 25744 1033 1 4 . 1 1 57 57 GLN H H 57 8.492 8.492 8.368 0.124 25744 1034 1 4 . 1 1 58 58 ILE N N 58 120.157 120.157 116.329 3.828 25744 1035 1 4 . 1 1 58 58 ILE CA C 58 65.952 65.952 64.062 1.890 25744 1036 1 4 . 1 1 58 58 ILE CB C 58 37.747 37.747 36.473 1.274 25744 1037 1 4 . 1 1 58 58 ILE H H 58 8.347 8.347 7.923 0.423 25744 1038 1 4 . 1 1 59 59 ALA N N 59 121.345 121.345 121.823 -0.478 25744 1039 1 4 . 1 1 59 59 ALA CA C 59 55.304 55.304 55.192 0.112 25744 1040 1 4 . 1 1 59 59 ALA CB C 59 17.970 17.970 17.922 0.048 25744 1041 1 4 . 1 1 59 59 ALA H H 59 7.657 7.657 7.511 0.146 25744 1042 1 4 . 1 1 60 60 VAL N N 60 117.152 117.152 118.786 -1.634 25744 1043 1 4 . 1 1 60 60 VAL CA C 60 66.208 66.208 65.352 0.856 25744 1044 1 4 . 1 1 60 60 VAL CB C 60 31.481 31.481 30.465 1.016 25744 1045 1 4 . 1 1 60 60 VAL H H 60 7.144 7.144 7.437 -0.293 25744 1046 1 4 . 1 1 61 61 ALA N N 61 123.936 123.936 122.181 1.755 25744 1047 1 4 . 1 1 61 61 ALA CA C 61 56.371 56.371 55.356 1.015 25744 1048 1 4 . 1 1 61 61 ALA CB C 61 16.482 16.482 18.161 -1.679 25744 1049 1 4 . 1 1 61 61 ALA H H 61 8.225 8.225 8.341 -0.116 25744 1050 1 4 . 1 1 62 62 ASN N N 62 114.116 114.116 116.600 -2.484 25744 1051 1 4 . 1 1 62 62 ASN CA C 62 56.845 56.845 56.384 0.461 25744 1052 1 4 . 1 1 62 62 ASN CB C 62 38.356 38.356 38.733 -0.377 25744 1053 1 4 . 1 1 62 62 ASN H H 62 8.500 8.500 8.466 0.034 25744 1054 1 4 . 1 1 63 63 ARG N N 63 122.173 122.173 119.561 2.612 25744 1055 1 4 . 1 1 63 63 ARG CA C 63 59.926 59.926 58.741 1.185 25744 1056 1 4 . 1 1 63 63 ARG CB C 63 30.889 30.889 30.889 0.000 25744 1057 1 4 . 1 1 63 63 ARG H H 63 7.474 7.474 7.684 -0.210 25744 1058 1 4 . 1 1 64 64 VAL N N 64 121.659 121.659 121.855 -0.196 25744 1059 1 4 . 1 1 64 64 VAL CA C 64 65.852 65.852 65.733 0.119 25744 1060 1 4 . 1 1 64 64 VAL CB C 64 31.718 31.718 31.437 0.281 25744 1061 1 4 . 1 1 64 64 VAL H H 64 8.107 8.107 8.603 -0.496 25744 1062 1 4 . 1 1 65 65 LEU N N 65 120.681 120.681 120.399 0.282 25744 1063 1 4 . 1 1 65 65 LEU CA C 65 57.556 57.556 58.942 -1.386 25744 1064 1 4 . 1 1 65 65 LEU CB C 65 43.333 43.333 40.864 2.469 25744 1065 1 4 . 1 1 65 65 LEU H H 65 8.948 8.948 8.346 0.602 25744 1066 1 4 . 1 1 66 66 ALA N N 66 118.509 118.509 121.391 -2.882 25744 1067 1 4 . 1 1 66 66 ALA CA C 66 54.830 54.830 54.711 0.119 25744 1068 1 4 . 1 1 66 66 ALA CB C 66 19.155 19.155 18.321 0.834 25744 1069 1 4 . 1 1 66 66 ALA H H 66 7.390 7.390 7.868 -0.478 25744 1070 1 4 . 1 1 67 67 GLU N N 67 114.309 114.309 119.353 -5.044 25744 1071 1 4 . 1 1 67 67 GLU CA C 67 57.700 57.700 58.192 -0.492 25744 1072 1 4 . 1 1 67 67 GLU CB C 67 32.531 32.531 29.971 2.560 25744 1073 1 4 . 1 1 67 67 GLU H H 67 7.369 7.369 7.828 -0.459 25744 1074 1 4 . 1 1 68 68 GLN N N 68 116.281 116.281 117.400 -1.119 25744 1075 1 4 . 1 1 68 68 GLN CA C 68 55.778 55.778 55.621 0.157 25744 1076 1 4 . 1 1 68 68 GLN CB C 68 30.889 30.889 30.647 0.242 25744 1077 1 4 . 1 1 68 68 GLN H H 68 8.914 8.914 8.269 0.645 25744 1078 1 4 . 1 1 69 69 GLY N N 69 109.577 109.577 106.865 2.712 25744 1079 1 4 . 1 1 69 69 GLY CA C 69 45.941 45.941 44.464 1.477 25744 1080 1 4 . 1 1 69 69 GLY H H 69 8.134 8.134 7.723 0.411 25744 1081 1 4 . 1 1 70 70 LEU N N 70 121.331 121.331 118.027 3.304 25744 1082 1 4 . 1 1 70 70 LEU CA C 70 54.522 54.522 57.365 -2.843 25744 1083 1 4 . 1 1 70 70 LEU CB C 70 41.954 41.954 41.920 0.034 25744 1084 1 4 . 1 1 70 70 LEU H H 70 8.519 8.519 8.638 -0.119 25744 1085 1 4 . 1 1 71 71 ASP N N 71 120.681 120.681 118.717 1.964 25744 1086 1 4 . 1 1 71 71 ASP CA C 71 57.082 57.082 55.322 1.760 25744 1087 1 4 . 1 1 71 71 ASP CB C 71 40.844 40.844 39.985 0.859 25744 1088 1 4 . 1 1 71 71 ASP H H 71 7.718 7.718 8.237 -0.519 25744 1089 1 4 . 1 1 72 72 ALA N N 72 119.110 119.110 121.335 -2.225 25744 1090 1 4 . 1 1 72 72 ALA CA C 72 53.289 53.289 53.301 -0.012 25744 1091 1 4 . 1 1 72 72 ALA CB C 72 15.885 15.885 18.580 -2.695 25744 1092 1 4 . 1 1 72 72 ALA H H 72 8.009 8.009 7.660 0.349 25744 1093 1 4 . 1 1 73 73 TRP N N 73 117.503 117.503 118.682 -1.179 25744 1094 1 4 . 1 1 73 73 TRP CA C 73 56.963 56.963 54.843 2.120 25744 1095 1 4 . 1 1 73 73 TRP CB C 73 28.163 28.163 29.020 -0.857 25744 1096 1 4 . 1 1 73 73 TRP H H 73 7.791 7.791 7.473 0.318 25744 1097 1 4 . 1 1 74 74 PRO CA C 74 65.586 65.586 64.668 0.918 25744 1098 1 4 . 1 1 74 74 PRO CB C 74 32.234 32.234 32.122 0.112 25744 1099 1 4 . 1 1 75 75 THR N N 75 111.008 111.008 109.345 1.663 25744 1100 1 4 . 1 1 75 75 THR CA C 75 63.482 63.482 63.196 0.286 25744 1101 1 4 . 1 1 75 75 THR CB C 75 68.815 68.815 68.906 -0.091 25744 1102 1 4 . 1 1 75 75 THR H H 75 8.197 8.197 8.481 -0.284 25744 1103 1 4 . 1 1 76 76 CYS N N 76 119.131 119.131 120.639 -1.508 25744 1104 1 4 . 1 1 76 76 CYS CA C 76 54.853 54.853 59.561 -4.708 25744 1105 1 4 . 1 1 76 76 CYS CB C 76 39.280 39.280 29.866 9.414 25744 1106 1 4 . 1 1 76 76 CYS H H 76 8.144 8.144 8.351 -0.207 25744 1107 1 4 . 1 1 77 77 GLY N N 77 110.834 110.834 111.603 -0.769 25744 1108 1 4 . 1 1 77 77 GLY CA C 77 48.430 48.430 44.558 3.872 25744 1109 1 4 . 1 1 77 77 GLY H H 77 8.774 8.774 8.530 0.244 25744 1110 1 4 . 1 1 78 78 ALA N N 78 123.300 123.300 124.004 -0.704 25744 1111 1 4 . 1 1 78 78 ALA CA C 78 53.882 53.882 54.479 -0.597 25744 1112 1 4 . 1 1 78 78 ALA CB C 78 18.563 18.563 18.240 0.323 25744 1113 1 4 . 1 1 78 78 ALA H H 78 8.142 8.142 8.289 -0.147 25744 1114 1 4 . 1 1 80 80 SER N N 80 111.423 111.423 111.157 0.266 25744 1115 1 4 . 1 1 80 80 SER CA C 80 59.723 59.723 58.472 1.250 25744 1116 1 4 . 1 1 80 80 SER CB C 80 63.648 63.648 65.106 -1.458 25744 1117 1 4 . 1 1 80 80 SER H H 80 7.742 7.742 7.832 -0.090 25744 1118 1 4 . 1 1 81 81 GLY N N 81 111.317 111.317 110.773 0.544 25744 1119 1 4 . 1 1 81 81 GLY CA C 81 45.430 45.430 45.235 0.195 25744 1120 1 4 . 1 1 81 81 GLY H H 81 7.562 7.562 7.961 -0.399 25744 1121 1 5 . 1 1 4 4 GLY N N 4 110.205 110.205 108.737 1.468 25744 1122 1 5 . 1 1 4 4 GLY CA C 4 44.519 44.519 44.914 -0.395 25744 1123 1 5 . 1 1 4 4 GLY H H 4 8.067 8.067 9.193 -1.126 25744 1124 1 5 . 1 1 5 5 PRO CA C 5 63.030 63.030 63.061 -0.031 25744 1125 1 5 . 1 1 5 5 PRO CB C 5 32.458 32.458 33.394 -0.936 25744 1126 1 5 . 1 1 6 6 SER N N 6 116.630 116.630 117.325 -0.695 25744 1127 1 5 . 1 1 6 6 SER CA C 6 56.015 56.015 56.547 -0.532 25744 1128 1 5 . 1 1 6 6 SER CB C 6 63.363 63.363 63.672 -0.309 25744 1129 1 5 . 1 1 6 6 SER H H 6 8.304 8.304 8.255 0.049 25744 1130 1 5 . 1 1 7 7 PRO CA C 7 62.430 62.430 62.799 -0.369 25744 1131 1 5 . 1 1 7 7 PRO CB C 7 30.960 30.960 32.141 -1.181 25744 1132 1 5 . 1 1 8 8 ASN N N 8 120.122 120.122 120.511 -0.389 25744 1133 1 5 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.129 -1.329 25744 1134 1 5 . 1 1 8 8 ASN CB C 8 36.222 36.222 40.495 -4.273 25744 1135 1 5 . 1 1 8 8 ASN H H 8 8.667 8.667 8.306 0.361 25744 1136 1 5 . 1 1 9 9 TRP N N 9 123.684 123.684 125.838 -2.154 25744 1137 1 5 . 1 1 9 9 TRP CA C 9 59.215 59.215 61.517 -2.302 25744 1138 1 5 . 1 1 9 9 TRP CB C 9 30.780 30.780 29.983 0.797 25744 1139 1 5 . 1 1 9 9 TRP H H 9 7.691 7.691 8.993 -1.302 25744 1140 1 5 . 1 1 10 10 ASP N N 10 118.132 118.132 117.418 0.714 25744 1141 1 5 . 1 1 10 10 ASP CA C 10 58.622 58.622 57.134 1.488 25744 1142 1 5 . 1 1 10 10 ASP CB C 10 40.844 40.844 39.875 0.969 25744 1143 1 5 . 1 1 10 10 ASP H H 10 8.320 8.320 8.526 -0.206 25744 1144 1 5 . 1 1 11 11 ALA N N 11 124.299 124.299 120.675 3.624 25744 1145 1 5 . 1 1 11 11 ALA CA C 11 54.593 54.593 54.673 -0.080 25744 1146 1 5 . 1 1 11 11 ALA CB C 11 18.681 18.681 18.632 0.049 25744 1147 1 5 . 1 1 11 11 ALA H H 11 7.395 7.395 7.793 -0.398 25744 1148 1 5 . 1 1 12 12 VAL N N 12 120.997 120.997 118.958 2.039 25744 1149 1 5 . 1 1 12 12 VAL CA C 12 66.682 66.682 65.799 0.883 25744 1150 1 5 . 1 1 12 12 VAL CB C 12 31.481 31.481 30.256 1.225 25744 1151 1 5 . 1 1 12 12 VAL H H 12 7.464 7.464 7.504 -0.040 25744 1152 1 5 . 1 1 13 13 ALA N N 13 121.205 121.205 121.156 0.049 25744 1153 1 5 . 1 1 13 13 ALA CA C 13 54.711 54.711 55.114 -0.403 25744 1154 1 5 . 1 1 13 13 ALA CB C 13 18.918 18.918 17.485 1.433 25744 1155 1 5 . 1 1 13 13 ALA H H 13 8.523 8.523 7.646 0.877 25744 1156 1 5 . 1 1 14 14 GLN N N 14 120.926 120.926 115.672 5.254 25744 1157 1 5 . 1 1 14 14 GLN CA C 14 58.978 58.978 57.660 1.318 25744 1158 1 5 . 1 1 14 14 GLN CB C 14 27.689 27.689 28.790 -1.101 25744 1159 1 5 . 1 1 14 14 GLN H H 14 8.046 8.046 8.286 -0.240 25744 1160 1 5 . 1 1 15 15 CYS N N 15 118.916 118.916 117.393 1.523 25744 1161 1 5 . 1 1 15 15 CYS CA C 15 59.334 59.334 59.172 0.162 25744 1162 1 5 . 1 1 15 15 CYS CB C 15 35.748 35.748 28.700 7.048 25744 1163 1 5 . 1 1 15 15 CYS H H 15 7.108 7.108 7.818 -0.710 25744 1164 1 5 . 1 1 16 16 GLU N N 16 120.227 120.227 118.727 1.500 25744 1165 1 5 . 1 1 16 16 GLU CA C 16 58.978 58.978 57.437 1.541 25744 1166 1 5 . 1 1 16 16 GLU CB C 16 30.051 30.051 30.688 -0.637 25744 1167 1 5 . 1 1 16 16 GLU H H 16 8.776 8.776 8.600 0.176 25744 1168 1 5 . 1 1 17 17 SER N N 17 109.577 109.577 111.900 -2.323 25744 1169 1 5 . 1 1 17 17 SER CA C 17 57.771 57.771 57.836 -0.065 25744 1170 1 5 . 1 1 17 17 SER CB C 17 66.563 66.563 65.051 1.512 25744 1171 1 5 . 1 1 17 17 SER H H 17 8.467 8.467 8.231 0.236 25744 1172 1 5 . 1 1 18 18 GLY N N 18 113.669 113.669 108.543 5.126 25744 1173 1 5 . 1 1 18 18 GLY CA C 18 46.652 46.652 45.914 0.738 25744 1174 1 5 . 1 1 18 18 GLY H H 18 7.598 7.598 8.184 -0.586 25744 1175 1 5 . 1 1 19 19 GLY N N 19 106.884 106.884 108.717 -1.833 25744 1176 1 5 . 1 1 19 19 GLY CA C 19 45.467 45.467 45.381 0.086 25744 1177 1 5 . 1 1 19 19 GLY H H 19 7.476 7.476 7.875 -0.399 25744 1178 1 5 . 1 1 20 20 ASN N N 20 116.428 116.428 122.683 -6.255 25744 1179 1 5 . 1 1 20 20 ASN CA C 20 50.445 50.445 53.807 -3.362 25744 1180 1 5 . 1 1 20 20 ASN CB C 20 38.510 38.510 37.711 0.799 25744 1181 1 5 . 1 1 20 20 ASN H H 20 6.580 6.580 8.106 -1.526 25744 1182 1 5 . 1 1 21 21 TRP N N 21 124.313 124.313 127.272 -2.959 25744 1183 1 5 . 1 1 21 21 TRP CA C 21 60.400 60.400 60.585 -0.185 25744 1184 1 5 . 1 1 21 21 TRP CB C 21 27.689 27.689 29.538 -1.849 25744 1185 1 5 . 1 1 21 21 TRP H H 21 8.262 8.262 8.480 -0.218 25744 1186 1 5 . 1 1 22 22 ALA N N 22 120.192 120.192 117.735 2.457 25744 1187 1 5 . 1 1 22 22 ALA CA C 22 50.208 50.208 50.845 -0.637 25744 1188 1 5 . 1 1 22 22 ALA CB C 22 19.037 19.037 17.774 1.263 25744 1189 1 5 . 1 1 22 22 ALA H H 22 7.668 7.668 7.838 -0.170 25744 1190 1 5 . 1 1 23 23 ALA N N 23 121.314 121.314 122.416 -1.102 25744 1191 1 5 . 1 1 23 23 ALA CA C 23 54.711 54.711 52.646 2.065 25744 1192 1 5 . 1 1 23 23 ALA CB C 23 18.701 18.701 17.828 0.873 25744 1193 1 5 . 1 1 23 23 ALA H H 23 6.929 6.929 7.535 -0.606 25744 1194 1 5 . 1 1 24 24 ASN N N 24 119.494 119.494 119.811 -0.317 25744 1195 1 5 . 1 1 24 24 ASN CA C 24 52.459 52.459 53.058 -0.599 25744 1196 1 5 . 1 1 24 24 ASN CB C 24 37.170 37.170 38.153 -0.983 25744 1197 1 5 . 1 1 24 24 ASN H H 24 8.678 8.678 8.675 0.003 25744 1198 1 5 . 1 1 25 25 THR N N 25 113.697 113.697 112.184 1.513 25744 1199 1 5 . 1 1 25 25 THR CA C 25 61.941 61.941 61.813 0.128 25744 1200 1 5 . 1 1 25 25 THR CB C 25 69.171 69.171 69.347 -0.176 25744 1201 1 5 . 1 1 25 25 THR H H 25 9.174 9.174 8.044 1.130 25744 1202 1 5 . 1 1 26 26 GLY N N 26 110.554 110.554 112.116 -1.562 25744 1203 1 5 . 1 1 26 26 GLY CA C 26 45.822 45.822 45.374 0.448 25744 1204 1 5 . 1 1 26 26 GLY H H 26 8.381 8.381 8.001 0.380 25744 1205 1 5 . 1 1 27 27 ASN N N 27 118.272 118.272 119.076 -0.804 25744 1206 1 5 . 1 1 27 27 ASN CA C 27 51.985 51.985 51.757 0.228 25744 1207 1 5 . 1 1 27 27 ASN CB C 27 37.436 37.436 38.137 -0.701 25744 1208 1 5 . 1 1 27 27 ASN H H 27 7.718 7.718 8.473 -0.755 25744 1209 1 5 . 1 1 28 28 GLY N N 28 108.669 108.669 108.019 0.650 25744 1210 1 5 . 1 1 28 28 GLY CA C 28 45.348 45.348 45.944 -0.596 25744 1211 1 5 . 1 1 28 28 GLY H H 28 8.287 8.287 7.499 0.788 25744 1212 1 5 . 1 1 29 29 LYS N N 29 116.881 116.881 118.254 -1.373 25744 1213 1 5 . 1 1 29 29 LYS CA C 29 54.119 54.119 54.785 -0.666 25744 1214 1 5 . 1 1 29 29 LYS CB C 29 35.184 35.184 35.299 -0.115 25744 1215 1 5 . 1 1 29 29 LYS H H 29 7.256 7.256 7.534 -0.278 25744 1216 1 5 . 1 1 30 30 TYR N N 30 115.548 115.548 117.395 -1.847 25744 1217 1 5 . 1 1 30 30 TYR CA C 30 58.148 58.148 57.739 0.409 25744 1218 1 5 . 1 1 30 30 TYR CB C 30 44.163 44.163 42.164 1.999 25744 1219 1 5 . 1 1 30 30 TYR H H 30 8.421 8.421 8.335 0.086 25744 1220 1 5 . 1 1 31 31 GLY N N 31 110.774 110.774 108.995 1.779 25744 1221 1 5 . 1 1 31 31 GLY CA C 31 44.767 44.767 45.976 -1.209 25744 1222 1 5 . 1 1 31 31 GLY H H 31 9.969 9.969 8.615 1.354 25744 1223 1 5 . 1 1 32 32 GLY N N 32 109.262 109.262 106.544 2.718 25744 1224 1 5 . 1 1 32 32 GLY CA C 32 46.193 46.193 45.596 0.597 25744 1225 1 5 . 1 1 32 32 GLY H H 32 9.008 9.008 8.022 0.986 25744 1226 1 5 . 1 1 33 33 LEU N N 33 115.269 115.269 120.197 -4.928 25744 1227 1 5 . 1 1 33 33 LEU CA C 33 52.815 52.815 53.619 -0.804 25744 1228 1 5 . 1 1 33 33 LEU CB C 33 41.556 41.556 42.555 -0.999 25744 1229 1 5 . 1 1 33 33 LEU H H 33 7.843 7.843 7.854 -0.011 25744 1230 1 5 . 1 1 34 34 GLN N N 34 112.176 112.176 116.472 -4.296 25744 1231 1 5 . 1 1 34 34 GLN CA C 34 55.304 55.304 57.100 -1.796 25744 1232 1 5 . 1 1 34 34 GLN CB C 34 27.333 27.333 26.400 0.933 25744 1233 1 5 . 1 1 34 34 GLN H H 34 7.321 7.321 8.288 -0.967 25744 1234 1 5 . 1 1 35 35 PHE N N 35 116.246 116.246 121.403 -5.157 25744 1235 1 5 . 1 1 35 35 PHE CA C 35 59.334 59.334 57.921 1.413 25744 1236 1 5 . 1 1 35 35 PHE CB C 35 41.793 41.793 39.528 2.265 25744 1237 1 5 . 1 1 35 35 PHE H H 35 7.708 7.708 7.918 -0.210 25744 1238 1 5 . 1 1 36 36 LYS N N 36 122.039 122.039 128.042 -6.003 25744 1239 1 5 . 1 1 36 36 LYS CA C 36 54.711 54.711 56.912 -2.201 25744 1240 1 5 . 1 1 36 36 LYS CB C 36 32.193 32.193 31.785 0.408 25744 1241 1 5 . 1 1 36 36 LYS H H 36 9.110 9.110 7.852 1.258 25744 1242 1 5 . 1 1 37 37 PRO CA C 37 66.626 66.626 65.769 0.857 25744 1243 1 5 . 1 1 37 37 PRO CB C 37 32.234 32.234 31.902 0.332 25744 1244 1 5 . 1 1 39 39 THR N N 39 115.976 115.976 114.250 1.726 25744 1245 1 5 . 1 1 39 39 THR CA C 39 65.971 65.971 65.378 0.593 25744 1246 1 5 . 1 1 39 39 THR CB C 39 69.550 69.550 68.475 1.075 25744 1247 1 5 . 1 1 39 39 THR H H 39 7.046 7.046 7.363 -0.317 25744 1248 1 5 . 1 1 40 40 TRP N N 40 120.053 120.053 124.058 -4.005 25744 1249 1 5 . 1 1 40 40 TRP CA C 40 60.163 60.163 59.817 0.346 25744 1250 1 5 . 1 1 40 40 TRP CB C 40 30.317 30.317 29.675 0.642 25744 1251 1 5 . 1 1 40 40 TRP H H 40 7.810 7.810 8.644 -0.834 25744 1252 1 5 . 1 1 41 41 ALA N N 41 117.049 117.049 122.090 -5.041 25744 1253 1 5 . 1 1 41 41 ALA CA C 41 54.119 54.119 55.094 -0.975 25744 1254 1 5 . 1 1 41 41 ALA CB C 41 18.800 18.800 17.785 1.015 25744 1255 1 5 . 1 1 41 41 ALA H H 41 8.117 8.117 8.579 -0.462 25744 1256 1 5 . 1 1 42 42 ALA N N 42 120.416 120.416 121.922 -1.506 25744 1257 1 5 . 1 1 42 42 ALA CA C 42 53.408 53.408 54.708 -1.300 25744 1258 1 5 . 1 1 42 42 ALA CB C 42 18.020 18.020 18.918 -0.898 25744 1259 1 5 . 1 1 42 42 ALA H H 42 7.678 7.678 7.934 -0.256 25744 1260 1 5 . 1 1 43 43 PHE N N 43 113.805 113.805 116.283 -2.478 25744 1261 1 5 . 1 1 43 43 PHE CA C 43 57.911 57.911 57.239 0.672 25744 1262 1 5 . 1 1 43 43 PHE CB C 43 38.711 38.711 38.962 -0.251 25744 1263 1 5 . 1 1 43 43 PHE H H 43 7.044 7.044 7.714 -0.670 25744 1264 1 5 . 1 1 44 44 GLY N N 44 104.034 104.034 107.413 -3.379 25744 1265 1 5 . 1 1 44 44 GLY CA C 44 45.963 45.963 44.850 1.113 25744 1266 1 5 . 1 1 44 44 GLY H H 44 7.099 7.099 8.226 -1.127 25744 1267 1 5 . 1 1 45 45 GLY N N 45 110.240 110.240 108.458 1.782 25744 1268 1 5 . 1 1 45 45 GLY CA C 45 44.622 44.622 45.804 -1.182 25744 1269 1 5 . 1 1 45 45 GLY H H 45 8.015 8.015 8.209 -0.194 25744 1270 1 5 . 1 1 46 46 VAL N N 46 122.532 122.532 121.115 1.417 25744 1271 1 5 . 1 1 46 46 VAL CA C 46 60.910 60.910 62.725 -1.815 25744 1272 1 5 . 1 1 46 46 VAL CB C 46 34.444 34.444 32.161 2.283 25744 1273 1 5 . 1 1 46 46 VAL H H 46 7.854 7.854 7.862 -0.008 25744 1274 1 5 . 1 1 47 47 GLY N N 47 114.605 114.605 113.496 1.109 25744 1275 1 5 . 1 1 47 47 GLY CA C 47 45.230 45.230 45.337 -0.107 25744 1276 1 5 . 1 1 48 48 ASN N N 48 121.458 121.458 121.039 0.419 25744 1277 1 5 . 1 1 48 48 ASN CA C 48 57.494 57.494 57.657 -0.163 25744 1278 1 5 . 1 1 48 48 ASN CB C 48 31.011 31.011 37.117 -6.106 25744 1279 1 5 . 1 1 48 48 ASN H H 48 8.500 8.500 8.524 -0.024 25744 1280 1 5 . 1 1 49 49 PRO CA C 49 64.978 64.978 64.540 0.438 25744 1281 1 5 . 1 1 49 49 PRO CB C 49 30.885 30.885 30.427 0.458 25744 1282 1 5 . 1 1 50 50 ALA N N 50 110.593 110.593 121.476 -10.883 25744 1283 1 5 . 1 1 50 50 ALA CA C 50 53.171 53.171 54.036 -0.865 25744 1284 1 5 . 1 1 50 50 ALA CB C 50 18.404 18.404 18.224 0.180 25744 1285 1 5 . 1 1 50 50 ALA H H 50 7.787 7.787 7.171 0.616 25744 1286 1 5 . 1 1 51 51 ALA N N 51 118.962 118.962 120.724 -1.762 25744 1287 1 5 . 1 1 51 51 ALA CA C 51 51.037 51.037 51.869 -0.832 25744 1288 1 5 . 1 1 51 51 ALA CB C 51 19.507 19.507 19.784 -0.277 25744 1289 1 5 . 1 1 51 51 ALA H H 51 7.436 7.436 7.588 -0.152 25744 1290 1 5 . 1 1 52 52 ALA N N 52 122.852 122.852 122.956 -0.104 25744 1291 1 5 . 1 1 52 52 ALA CA C 52 50.682 50.682 52.733 -2.051 25744 1292 1 5 . 1 1 52 52 ALA CB C 52 20.654 20.654 19.171 1.483 25744 1293 1 5 . 1 1 52 52 ALA H H 52 7.080 7.080 7.926 -0.846 25744 1294 1 5 . 1 1 53 53 SER N N 53 119.459 119.459 119.076 0.383 25744 1295 1 5 . 1 1 53 53 SER CA C 53 57.437 57.437 57.571 -0.133 25744 1296 1 5 . 1 1 53 53 SER CB C 53 64.914 64.914 63.968 0.946 25744 1297 1 5 . 1 1 53 53 SER H H 53 8.916 8.916 8.252 0.664 25744 1298 1 5 . 1 1 54 54 ARG N N 54 122.357 122.357 125.057 -2.700 25744 1299 1 5 . 1 1 54 54 ARG CA C 54 59.334 59.334 60.049 -0.715 25744 1300 1 5 . 1 1 54 54 ARG CB C 54 29.111 29.111 29.580 -0.469 25744 1301 1 5 . 1 1 54 54 ARG H H 54 8.791 8.791 8.706 0.085 25744 1302 1 5 . 1 1 55 55 GLU N N 55 114.989 114.989 117.180 -2.191 25744 1303 1 5 . 1 1 55 55 GLU CA C 55 61.348 61.348 59.018 2.330 25744 1304 1 5 . 1 1 55 55 GLU CB C 55 28.756 28.756 29.232 -0.476 25744 1305 1 5 . 1 1 55 55 GLU H H 55 8.214 8.214 8.405 -0.191 25744 1306 1 5 . 1 1 56 56 GLN N N 56 121.065 121.065 118.700 2.365 25744 1307 1 5 . 1 1 56 56 GLN CA C 56 58.504 58.504 58.534 -0.030 25744 1308 1 5 . 1 1 56 56 GLN CB C 56 29.704 29.704 28.799 0.905 25744 1309 1 5 . 1 1 56 56 GLN H H 56 7.975 7.975 7.598 0.377 25744 1310 1 5 . 1 1 57 57 GLN N N 57 120.192 120.192 120.376 -0.184 25744 1311 1 5 . 1 1 57 57 GLN CA C 57 60.400 60.400 58.177 2.223 25744 1312 1 5 . 1 1 57 57 GLN CB C 57 30.178 30.178 28.147 2.031 25744 1313 1 5 . 1 1 57 57 GLN H H 57 8.492 8.492 8.373 0.119 25744 1314 1 5 . 1 1 58 58 ILE N N 58 120.157 120.157 116.352 3.805 25744 1315 1 5 . 1 1 58 58 ILE CA C 58 65.952 65.952 63.971 1.980 25744 1316 1 5 . 1 1 58 58 ILE CB C 58 37.747 37.747 36.253 1.494 25744 1317 1 5 . 1 1 58 58 ILE H H 58 8.347 8.347 7.509 0.838 25744 1318 1 5 . 1 1 59 59 ALA N N 59 121.345 121.345 121.938 -0.593 25744 1319 1 5 . 1 1 59 59 ALA CA C 59 55.304 55.304 55.276 0.028 25744 1320 1 5 . 1 1 59 59 ALA CB C 59 17.970 17.970 17.924 0.046 25744 1321 1 5 . 1 1 59 59 ALA H H 59 7.657 7.657 7.572 0.085 25744 1322 1 5 . 1 1 60 60 VAL N N 60 117.152 117.152 119.300 -2.148 25744 1323 1 5 . 1 1 60 60 VAL CA C 60 66.208 66.208 65.404 0.804 25744 1324 1 5 . 1 1 60 60 VAL CB C 60 31.481 31.481 30.517 0.964 25744 1325 1 5 . 1 1 60 60 VAL H H 60 7.144 7.144 7.514 -0.370 25744 1326 1 5 . 1 1 61 61 ALA N N 61 123.936 123.936 121.862 2.074 25744 1327 1 5 . 1 1 61 61 ALA CA C 61 56.371 56.371 55.320 1.051 25744 1328 1 5 . 1 1 61 61 ALA CB C 61 16.482 16.482 18.141 -1.659 25744 1329 1 5 . 1 1 61 61 ALA H H 61 8.225 8.225 8.561 -0.336 25744 1330 1 5 . 1 1 62 62 ASN N N 62 114.116 114.116 116.517 -2.401 25744 1331 1 5 . 1 1 62 62 ASN CA C 62 56.845 56.845 55.936 0.909 25744 1332 1 5 . 1 1 62 62 ASN CB C 62 38.356 38.356 38.451 -0.095 25744 1333 1 5 . 1 1 62 62 ASN H H 62 8.500 8.500 8.397 0.103 25744 1334 1 5 . 1 1 63 63 ARG N N 63 122.173 122.173 119.727 2.446 25744 1335 1 5 . 1 1 63 63 ARG CA C 63 59.926 59.926 58.260 1.666 25744 1336 1 5 . 1 1 63 63 ARG CB C 63 30.889 30.889 30.495 0.393 25744 1337 1 5 . 1 1 63 63 ARG H H 63 7.474 7.474 7.550 -0.076 25744 1338 1 5 . 1 1 64 64 VAL N N 64 121.659 121.659 121.504 0.155 25744 1339 1 5 . 1 1 64 64 VAL CA C 64 65.852 65.852 65.663 0.189 25744 1340 1 5 . 1 1 64 64 VAL CB C 64 31.718 31.718 30.797 0.921 25744 1341 1 5 . 1 1 64 64 VAL H H 64 8.107 8.107 8.194 -0.087 25744 1342 1 5 . 1 1 65 65 LEU N N 65 120.681 120.681 119.927 0.754 25744 1343 1 5 . 1 1 65 65 LEU CA C 65 57.556 57.556 58.828 -1.272 25744 1344 1 5 . 1 1 65 65 LEU CB C 65 43.333 43.333 40.808 2.525 25744 1345 1 5 . 1 1 65 65 LEU H H 65 8.948 8.948 8.316 0.632 25744 1346 1 5 . 1 1 66 66 ALA N N 66 118.509 118.509 121.366 -2.857 25744 1347 1 5 . 1 1 66 66 ALA CA C 66 54.830 54.830 54.604 0.226 25744 1348 1 5 . 1 1 66 66 ALA CB C 66 19.155 19.155 18.383 0.772 25744 1349 1 5 . 1 1 66 66 ALA H H 66 7.390 7.390 7.922 -0.532 25744 1350 1 5 . 1 1 67 67 GLU N N 67 114.309 114.309 119.259 -4.950 25744 1351 1 5 . 1 1 67 67 GLU CA C 67 57.700 57.700 58.351 -0.651 25744 1352 1 5 . 1 1 67 67 GLU CB C 67 32.531 32.531 29.789 2.742 25744 1353 1 5 . 1 1 67 67 GLU H H 67 7.369 7.369 7.844 -0.475 25744 1354 1 5 . 1 1 68 68 GLN N N 68 116.281 116.281 117.687 -1.406 25744 1355 1 5 . 1 1 68 68 GLN CA C 68 55.778 55.778 56.053 -0.275 25744 1356 1 5 . 1 1 68 68 GLN CB C 68 30.889 30.889 30.787 0.102 25744 1357 1 5 . 1 1 68 68 GLN H H 68 8.914 8.914 8.102 0.812 25744 1358 1 5 . 1 1 69 69 GLY N N 69 109.577 109.577 106.949 2.628 25744 1359 1 5 . 1 1 69 69 GLY CA C 69 45.941 45.941 44.405 1.536 25744 1360 1 5 . 1 1 69 69 GLY H H 69 8.134 8.134 7.661 0.473 25744 1361 1 5 . 1 1 70 70 LEU N N 70 121.331 121.331 121.126 0.205 25744 1362 1 5 . 1 1 70 70 LEU CA C 70 54.522 54.522 56.942 -2.420 25744 1363 1 5 . 1 1 70 70 LEU CB C 70 41.954 41.954 41.830 0.124 25744 1364 1 5 . 1 1 70 70 LEU H H 70 8.519 8.519 8.791 -0.272 25744 1365 1 5 . 1 1 71 71 ASP N N 71 120.681 120.681 119.135 1.546 25744 1366 1 5 . 1 1 71 71 ASP CA C 71 57.082 57.082 56.293 0.789 25744 1367 1 5 . 1 1 71 71 ASP CB C 71 40.844 40.844 40.469 0.375 25744 1368 1 5 . 1 1 71 71 ASP H H 71 7.718 7.718 8.359 -0.641 25744 1369 1 5 . 1 1 72 72 ALA N N 72 119.110 119.110 121.023 -1.913 25744 1370 1 5 . 1 1 72 72 ALA CA C 72 53.289 53.289 53.253 0.036 25744 1371 1 5 . 1 1 72 72 ALA CB C 72 15.885 15.885 18.602 -2.717 25744 1372 1 5 . 1 1 72 72 ALA H H 72 8.009 8.009 7.466 0.543 25744 1373 1 5 . 1 1 73 73 TRP N N 73 117.503 117.503 116.675 0.828 25744 1374 1 5 . 1 1 73 73 TRP CA C 73 56.963 56.963 54.741 2.222 25744 1375 1 5 . 1 1 73 73 TRP CB C 73 28.163 28.163 29.331 -1.168 25744 1376 1 5 . 1 1 73 73 TRP H H 73 7.791 7.791 7.359 0.432 25744 1377 1 5 . 1 1 74 74 PRO CA C 74 65.586 65.586 64.817 0.769 25744 1378 1 5 . 1 1 74 74 PRO CB C 74 32.234 32.234 32.118 0.116 25744 1379 1 5 . 1 1 75 75 THR N N 75 111.008 111.008 112.712 -1.704 25744 1380 1 5 . 1 1 75 75 THR CA C 75 63.482 63.482 63.189 0.293 25744 1381 1 5 . 1 1 75 75 THR CB C 75 68.815 68.815 68.454 0.361 25744 1382 1 5 . 1 1 75 75 THR H H 75 8.197 8.197 8.431 -0.234 25744 1383 1 5 . 1 1 76 76 CYS N N 76 119.131 119.131 122.617 -3.486 25744 1384 1 5 . 1 1 76 76 CYS CA C 76 54.853 54.853 59.356 -4.503 25744 1385 1 5 . 1 1 76 76 CYS CB C 76 39.280 39.280 27.298 11.982 25744 1386 1 5 . 1 1 76 76 CYS H H 76 8.144 8.144 8.297 -0.153 25744 1387 1 5 . 1 1 77 77 GLY N N 77 110.834 110.834 111.073 -0.239 25744 1388 1 5 . 1 1 77 77 GLY CA C 77 48.430 48.430 45.417 3.013 25744 1389 1 5 . 1 1 77 77 GLY H H 77 8.774 8.774 8.558 0.216 25744 1390 1 5 . 1 1 78 78 ALA N N 78 123.300 123.300 121.928 1.372 25744 1391 1 5 . 1 1 78 78 ALA CA C 78 53.882 53.882 54.216 -0.334 25744 1392 1 5 . 1 1 78 78 ALA CB C 78 18.563 18.563 18.048 0.515 25744 1393 1 5 . 1 1 78 78 ALA H H 78 8.142 8.142 8.149 -0.007 25744 1394 1 5 . 1 1 80 80 SER N N 80 111.423 111.423 112.510 -1.087 25744 1395 1 5 . 1 1 80 80 SER CA C 80 59.723 59.723 59.525 0.198 25744 1396 1 5 . 1 1 80 80 SER CB C 80 63.648 63.648 63.812 -0.164 25744 1397 1 5 . 1 1 80 80 SER H H 80 7.742 7.742 7.770 -0.028 25744 1398 1 5 . 1 1 81 81 GLY N N 81 111.317 111.317 109.277 2.040 25744 1399 1 5 . 1 1 81 81 GLY CA C 81 45.430 45.430 45.355 0.075 25744 1400 1 5 . 1 1 81 81 GLY H H 81 7.562 7.562 7.502 0.060 25744 1401 1 6 . 1 1 4 4 GLY N N 4 110.205 110.205 109.988 0.217 25744 1402 1 6 . 1 1 4 4 GLY CA C 4 44.519 44.519 44.164 0.354 25744 1403 1 6 . 1 1 4 4 GLY H H 4 8.067 8.067 8.452 -0.385 25744 1404 1 6 . 1 1 5 5 PRO CA C 5 63.030 63.030 62.454 0.576 25744 1405 1 6 . 1 1 5 5 PRO CB C 5 32.458 32.458 32.965 -0.507 25744 1406 1 6 . 1 1 6 6 SER N N 6 116.630 116.630 118.040 -1.410 25744 1407 1 6 . 1 1 6 6 SER CA C 6 56.015 56.015 57.010 -0.995 25744 1408 1 6 . 1 1 6 6 SER CB C 6 63.363 63.363 63.578 -0.215 25744 1409 1 6 . 1 1 6 6 SER H H 6 8.304 8.304 8.384 -0.080 25744 1410 1 6 . 1 1 7 7 PRO CA C 7 62.430 62.430 62.785 -0.355 25744 1411 1 6 . 1 1 7 7 PRO CB C 7 30.960 30.960 32.414 -1.454 25744 1412 1 6 . 1 1 8 8 ASN N N 8 120.122 120.122 120.450 -0.328 25744 1413 1 6 . 1 1 8 8 ASN CA C 8 50.800 50.800 51.723 -0.923 25744 1414 1 6 . 1 1 8 8 ASN CB C 8 36.222 36.222 41.082 -4.860 25744 1415 1 6 . 1 1 8 8 ASN H H 8 8.667 8.667 8.402 0.265 25744 1416 1 6 . 1 1 9 9 TRP N N 9 123.684 123.684 122.525 1.159 25744 1417 1 6 . 1 1 9 9 TRP CA C 9 59.215 59.215 61.465 -2.251 25744 1418 1 6 . 1 1 9 9 TRP CB C 9 30.780 30.780 29.506 1.274 25744 1419 1 6 . 1 1 9 9 TRP H H 9 7.691 7.691 9.023 -1.332 25744 1420 1 6 . 1 1 10 10 ASP N N 10 118.132 118.132 117.091 1.041 25744 1421 1 6 . 1 1 10 10 ASP CA C 10 58.622 58.622 57.235 1.387 25744 1422 1 6 . 1 1 10 10 ASP CB C 10 40.844 40.844 39.501 1.343 25744 1423 1 6 . 1 1 10 10 ASP H H 10 8.320 8.320 8.764 -0.444 25744 1424 1 6 . 1 1 11 11 ALA N N 11 124.299 124.299 120.970 3.329 25744 1425 1 6 . 1 1 11 11 ALA CA C 11 54.593 54.593 54.890 -0.297 25744 1426 1 6 . 1 1 11 11 ALA CB C 11 18.681 18.681 18.560 0.121 25744 1427 1 6 . 1 1 11 11 ALA H H 11 7.395 7.395 8.236 -0.841 25744 1428 1 6 . 1 1 12 12 VAL N N 12 120.997 120.997 119.249 1.748 25744 1429 1 6 . 1 1 12 12 VAL CA C 12 66.682 66.682 65.732 0.950 25744 1430 1 6 . 1 1 12 12 VAL CB C 12 31.481 31.481 30.247 1.234 25744 1431 1 6 . 1 1 12 12 VAL H H 12 7.464 7.464 7.404 0.060 25744 1432 1 6 . 1 1 13 13 ALA N N 13 121.205 121.205 121.182 0.023 25744 1433 1 6 . 1 1 13 13 ALA CA C 13 54.711 54.711 55.234 -0.523 25744 1434 1 6 . 1 1 13 13 ALA CB C 13 18.918 18.918 17.821 1.097 25744 1435 1 6 . 1 1 13 13 ALA H H 13 8.523 8.523 7.768 0.755 25744 1436 1 6 . 1 1 14 14 GLN N N 14 120.926 120.926 115.615 5.311 25744 1437 1 6 . 1 1 14 14 GLN CA C 14 58.978 58.978 57.633 1.345 25744 1438 1 6 . 1 1 14 14 GLN CB C 14 27.689 27.689 28.686 -0.997 25744 1439 1 6 . 1 1 14 14 GLN H H 14 8.046 8.046 8.467 -0.421 25744 1440 1 6 . 1 1 15 15 CYS N N 15 118.916 118.916 117.441 1.475 25744 1441 1 6 . 1 1 15 15 CYS CA C 15 59.334 59.334 60.179 -0.845 25744 1442 1 6 . 1 1 15 15 CYS CB C 15 35.748 35.748 29.580 6.168 25744 1443 1 6 . 1 1 15 15 CYS H H 15 7.108 7.108 7.876 -0.768 25744 1444 1 6 . 1 1 16 16 GLU N N 16 120.227 120.227 120.897 -0.670 25744 1445 1 6 . 1 1 16 16 GLU CA C 16 58.978 58.978 59.603 -0.625 25744 1446 1 6 . 1 1 16 16 GLU CB C 16 30.051 30.051 30.005 0.046 25744 1447 1 6 . 1 1 16 16 GLU H H 16 8.776 8.776 8.592 0.184 25744 1448 1 6 . 1 1 17 17 SER N N 17 109.577 109.577 111.911 -2.334 25744 1449 1 6 . 1 1 17 17 SER CA C 17 57.771 57.771 58.194 -0.423 25744 1450 1 6 . 1 1 17 17 SER CB C 17 66.563 66.563 64.856 1.707 25744 1451 1 6 . 1 1 17 17 SER H H 17 8.467 8.467 8.117 0.350 25744 1452 1 6 . 1 1 18 18 GLY N N 18 113.669 113.669 110.288 3.381 25744 1453 1 6 . 1 1 18 18 GLY CA C 18 46.652 46.652 45.864 0.788 25744 1454 1 6 . 1 1 18 18 GLY H H 18 7.598 7.598 8.223 -0.625 25744 1455 1 6 . 1 1 19 19 GLY N N 19 106.884 106.884 108.051 -1.167 25744 1456 1 6 . 1 1 19 19 GLY CA C 19 45.467 45.467 45.225 0.242 25744 1457 1 6 . 1 1 19 19 GLY H H 19 7.476 7.476 7.702 -0.226 25744 1458 1 6 . 1 1 20 20 ASN N N 20 116.428 116.428 119.676 -3.248 25744 1459 1 6 . 1 1 20 20 ASN CA C 20 50.445 50.445 52.176 -1.731 25744 1460 1 6 . 1 1 20 20 ASN CB C 20 38.510 38.510 41.035 -2.525 25744 1461 1 6 . 1 1 20 20 ASN H H 20 6.580 6.580 8.080 -1.500 25744 1462 1 6 . 1 1 21 21 TRP N N 21 124.313 124.313 124.193 0.120 25744 1463 1 6 . 1 1 21 21 TRP CA C 21 60.400 60.400 61.183 -0.783 25744 1464 1 6 . 1 1 21 21 TRP CB C 21 27.689 27.689 29.420 -1.731 25744 1465 1 6 . 1 1 21 21 TRP H H 21 8.262 8.262 8.970 -0.708 25744 1466 1 6 . 1 1 22 22 ALA N N 22 120.192 120.192 118.764 1.428 25744 1467 1 6 . 1 1 22 22 ALA CA C 22 50.208 50.208 52.940 -2.732 25744 1468 1 6 . 1 1 22 22 ALA CB C 22 19.037 19.037 18.040 0.997 25744 1469 1 6 . 1 1 22 22 ALA H H 22 7.668 7.668 8.042 -0.374 25744 1470 1 6 . 1 1 23 23 ALA N N 23 121.314 121.314 120.497 0.817 25744 1471 1 6 . 1 1 23 23 ALA CA C 23 54.711 54.711 51.982 2.729 25744 1472 1 6 . 1 1 23 23 ALA CB C 23 18.701 18.701 17.525 1.176 25744 1473 1 6 . 1 1 23 23 ALA H H 23 6.929 6.929 7.443 -0.514 25744 1474 1 6 . 1 1 24 24 ASN N N 24 119.494 119.494 119.567 -0.073 25744 1475 1 6 . 1 1 24 24 ASN CA C 24 52.459 52.459 53.736 -1.277 25744 1476 1 6 . 1 1 24 24 ASN CB C 24 37.170 37.170 36.993 0.177 25744 1477 1 6 . 1 1 24 24 ASN H H 24 8.678 8.678 8.892 -0.214 25744 1478 1 6 . 1 1 25 25 THR N N 25 113.697 113.697 109.578 4.119 25744 1479 1 6 . 1 1 25 25 THR CA C 25 61.941 61.941 61.928 0.013 25744 1480 1 6 . 1 1 25 25 THR CB C 25 69.171 69.171 69.482 -0.311 25744 1481 1 6 . 1 1 25 25 THR H H 25 9.174 9.174 8.082 1.092 25744 1482 1 6 . 1 1 26 26 GLY N N 26 110.554 110.554 112.776 -2.222 25744 1483 1 6 . 1 1 26 26 GLY CA C 26 45.822 45.822 45.166 0.656 25744 1484 1 6 . 1 1 26 26 GLY H H 26 8.381 8.381 8.096 0.285 25744 1485 1 6 . 1 1 27 27 ASN N N 27 118.272 118.272 119.835 -1.563 25744 1486 1 6 . 1 1 27 27 ASN CA C 27 51.985 51.985 51.688 0.297 25744 1487 1 6 . 1 1 27 27 ASN CB C 27 37.436 37.436 37.821 -0.385 25744 1488 1 6 . 1 1 27 27 ASN H H 27 7.718 7.718 8.111 -0.393 25744 1489 1 6 . 1 1 28 28 GLY N N 28 108.669 108.669 107.599 1.070 25744 1490 1 6 . 1 1 28 28 GLY CA C 28 45.348 45.348 45.964 -0.616 25744 1491 1 6 . 1 1 28 28 GLY H H 28 8.287 8.287 7.519 0.768 25744 1492 1 6 . 1 1 29 29 LYS N N 29 116.881 116.881 119.153 -2.272 25744 1493 1 6 . 1 1 29 29 LYS CA C 29 54.119 54.119 55.279 -1.160 25744 1494 1 6 . 1 1 29 29 LYS CB C 29 35.184 35.184 35.479 -0.295 25744 1495 1 6 . 1 1 29 29 LYS H H 29 7.256 7.256 7.453 -0.197 25744 1496 1 6 . 1 1 30 30 TYR N N 30 115.548 115.548 120.143 -4.595 25744 1497 1 6 . 1 1 30 30 TYR CA C 30 58.148 58.148 57.497 0.651 25744 1498 1 6 . 1 1 30 30 TYR CB C 30 44.163 44.163 41.955 2.208 25744 1499 1 6 . 1 1 30 30 TYR H H 30 8.421 8.421 8.247 0.174 25744 1500 1 6 . 1 1 31 31 GLY N N 31 110.774 110.774 110.674 0.100 25744 1501 1 6 . 1 1 31 31 GLY CA C 31 44.767 44.767 45.902 -1.135 25744 1502 1 6 . 1 1 31 31 GLY H H 31 9.969 9.969 8.834 1.135 25744 1503 1 6 . 1 1 32 32 GLY N N 32 109.262 109.262 107.099 2.163 25744 1504 1 6 . 1 1 32 32 GLY CA C 32 46.193 46.193 45.151 1.042 25744 1505 1 6 . 1 1 32 32 GLY H H 32 9.008 9.008 7.844 1.164 25744 1506 1 6 . 1 1 33 33 LEU N N 33 115.269 115.269 120.350 -5.081 25744 1507 1 6 . 1 1 33 33 LEU CA C 33 52.815 52.815 52.808 0.007 25744 1508 1 6 . 1 1 33 33 LEU CB C 33 41.556 41.556 41.573 -0.017 25744 1509 1 6 . 1 1 33 33 LEU H H 33 7.843 7.843 7.359 0.484 25744 1510 1 6 . 1 1 34 34 GLN N N 34 112.176 112.176 117.952 -5.776 25744 1511 1 6 . 1 1 34 34 GLN CA C 34 55.304 55.304 57.049 -1.745 25744 1512 1 6 . 1 1 34 34 GLN CB C 34 27.333 27.333 27.821 -0.488 25744 1513 1 6 . 1 1 34 34 GLN H H 34 7.321 7.321 8.207 -0.886 25744 1514 1 6 . 1 1 35 35 PHE N N 35 116.246 116.246 120.449 -4.203 25744 1515 1 6 . 1 1 35 35 PHE CA C 35 59.334 59.334 56.873 2.461 25744 1516 1 6 . 1 1 35 35 PHE CB C 35 41.793 41.793 39.836 1.958 25744 1517 1 6 . 1 1 35 35 PHE H H 35 7.708 7.708 7.923 -0.215 25744 1518 1 6 . 1 1 36 36 LYS N N 36 122.039 122.039 128.080 -6.041 25744 1519 1 6 . 1 1 36 36 LYS CA C 36 54.711 54.711 56.500 -1.789 25744 1520 1 6 . 1 1 36 36 LYS CB C 36 32.193 32.193 31.985 0.208 25744 1521 1 6 . 1 1 36 36 LYS H H 36 9.110 9.110 8.281 0.829 25744 1522 1 6 . 1 1 37 37 PRO CA C 37 66.626 66.626 65.634 0.992 25744 1523 1 6 . 1 1 37 37 PRO CB C 37 32.234 32.234 31.955 0.279 25744 1524 1 6 . 1 1 39 39 THR N N 39 115.976 115.976 114.781 1.195 25744 1525 1 6 . 1 1 39 39 THR CA C 39 65.971 65.971 65.927 0.044 25744 1526 1 6 . 1 1 39 39 THR CB C 39 69.550 69.550 68.451 1.099 25744 1527 1 6 . 1 1 39 39 THR H H 39 7.046 7.046 7.505 -0.459 25744 1528 1 6 . 1 1 40 40 TRP N N 40 120.053 120.053 123.318 -3.265 25744 1529 1 6 . 1 1 40 40 TRP CA C 40 60.163 60.163 59.805 0.358 25744 1530 1 6 . 1 1 40 40 TRP CB C 40 30.317 30.317 29.490 0.827 25744 1531 1 6 . 1 1 40 40 TRP H H 40 7.810 7.810 8.189 -0.379 25744 1532 1 6 . 1 1 41 41 ALA N N 41 117.049 117.049 121.989 -4.940 25744 1533 1 6 . 1 1 41 41 ALA CA C 41 54.119 54.119 54.986 -0.867 25744 1534 1 6 . 1 1 41 41 ALA CB C 41 18.800 18.800 17.744 1.056 25744 1535 1 6 . 1 1 41 41 ALA H H 41 8.117 8.117 8.471 -0.354 25744 1536 1 6 . 1 1 42 42 ALA N N 42 120.416 120.416 121.885 -1.469 25744 1537 1 6 . 1 1 42 42 ALA CA C 42 53.408 53.408 54.559 -1.151 25744 1538 1 6 . 1 1 42 42 ALA CB C 42 18.020 18.020 18.876 -0.856 25744 1539 1 6 . 1 1 42 42 ALA H H 42 7.678 7.678 7.992 -0.314 25744 1540 1 6 . 1 1 43 43 PHE N N 43 113.805 113.805 117.835 -4.030 25744 1541 1 6 . 1 1 43 43 PHE CA C 43 57.911 57.911 56.081 1.831 25744 1542 1 6 . 1 1 43 43 PHE CB C 43 38.711 38.711 38.848 -0.137 25744 1543 1 6 . 1 1 43 43 PHE H H 43 7.044 7.044 7.559 -0.515 25744 1544 1 6 . 1 1 44 44 GLY N N 44 104.034 104.034 108.005 -3.971 25744 1545 1 6 . 1 1 44 44 GLY CA C 44 45.963 45.963 44.715 1.248 25744 1546 1 6 . 1 1 44 44 GLY H H 44 7.099 7.099 8.075 -0.976 25744 1547 1 6 . 1 1 45 45 GLY N N 45 110.240 110.240 108.256 1.984 25744 1548 1 6 . 1 1 45 45 GLY CA C 45 44.622 44.622 45.636 -1.014 25744 1549 1 6 . 1 1 45 45 GLY H H 45 8.015 8.015 8.068 -0.053 25744 1550 1 6 . 1 1 46 46 VAL N N 46 122.532 122.532 120.795 1.737 25744 1551 1 6 . 1 1 46 46 VAL CA C 46 60.910 60.910 62.883 -1.973 25744 1552 1 6 . 1 1 46 46 VAL CB C 46 34.444 34.444 31.912 2.532 25744 1553 1 6 . 1 1 46 46 VAL H H 46 7.854 7.854 7.707 0.147 25744 1554 1 6 . 1 1 47 47 GLY N N 47 114.605 114.605 113.759 0.846 25744 1555 1 6 . 1 1 47 47 GLY CA C 47 45.230 45.230 45.651 -0.421 25744 1556 1 6 . 1 1 48 48 ASN N N 48 121.458 121.458 120.765 0.693 25744 1557 1 6 . 1 1 48 48 ASN CA C 48 57.494 57.494 58.695 -1.201 25744 1558 1 6 . 1 1 48 48 ASN CB C 48 31.011 31.011 37.704 -6.693 25744 1559 1 6 . 1 1 48 48 ASN H H 48 8.500 8.500 8.609 -0.109 25744 1560 1 6 . 1 1 49 49 PRO CA C 49 64.978 64.978 65.020 -0.042 25744 1561 1 6 . 1 1 49 49 PRO CB C 49 30.885 30.885 30.705 0.180 25744 1562 1 6 . 1 1 50 50 ALA N N 50 110.593 110.593 121.232 -10.639 25744 1563 1 6 . 1 1 50 50 ALA CA C 50 53.171 53.171 54.144 -0.973 25744 1564 1 6 . 1 1 50 50 ALA CB C 50 18.404 18.404 18.666 -0.262 25744 1565 1 6 . 1 1 50 50 ALA H H 50 7.787 7.787 7.399 0.388 25744 1566 1 6 . 1 1 51 51 ALA N N 51 118.962 118.962 120.875 -1.913 25744 1567 1 6 . 1 1 51 51 ALA CA C 51 51.037 51.037 52.288 -1.250 25744 1568 1 6 . 1 1 51 51 ALA CB C 51 19.507 19.507 19.752 -0.245 25744 1569 1 6 . 1 1 51 51 ALA H H 51 7.436 7.436 8.101 -0.665 25744 1570 1 6 . 1 1 52 52 ALA N N 52 122.852 122.852 122.809 0.043 25744 1571 1 6 . 1 1 52 52 ALA CA C 52 50.682 50.682 52.169 -1.488 25744 1572 1 6 . 1 1 52 52 ALA CB C 52 20.654 20.654 19.001 1.653 25744 1573 1 6 . 1 1 52 52 ALA H H 52 7.080 7.080 8.068 -0.988 25744 1574 1 6 . 1 1 53 53 SER N N 53 119.459 119.459 120.313 -0.854 25744 1575 1 6 . 1 1 53 53 SER CA C 53 57.437 57.437 58.001 -0.564 25744 1576 1 6 . 1 1 53 53 SER CB C 53 64.914 64.914 63.682 1.232 25744 1577 1 6 . 1 1 53 53 SER H H 53 8.916 8.916 8.534 0.382 25744 1578 1 6 . 1 1 54 54 ARG N N 54 122.357 122.357 123.773 -1.416 25744 1579 1 6 . 1 1 54 54 ARG CA C 54 59.334 59.334 59.148 0.186 25744 1580 1 6 . 1 1 54 54 ARG CB C 54 29.111 29.111 28.960 0.151 25744 1581 1 6 . 1 1 54 54 ARG H H 54 8.791 8.791 8.582 0.209 25744 1582 1 6 . 1 1 55 55 GLU N N 55 114.989 114.989 116.850 -1.861 25744 1583 1 6 . 1 1 55 55 GLU CA C 55 61.348 61.348 58.898 2.450 25744 1584 1 6 . 1 1 55 55 GLU CB C 55 28.756 28.756 28.931 -0.175 25744 1585 1 6 . 1 1 55 55 GLU H H 55 8.214 8.214 8.411 -0.197 25744 1586 1 6 . 1 1 56 56 GLN N N 56 121.065 121.065 119.431 1.634 25744 1587 1 6 . 1 1 56 56 GLN CA C 56 58.504 58.504 58.477 0.027 25744 1588 1 6 . 1 1 56 56 GLN CB C 56 29.704 29.704 28.530 1.174 25744 1589 1 6 . 1 1 56 56 GLN H H 56 7.975 7.975 7.543 0.432 25744 1590 1 6 . 1 1 57 57 GLN N N 57 120.192 120.192 119.830 0.362 25744 1591 1 6 . 1 1 57 57 GLN CA C 57 60.400 60.400 58.511 1.889 25744 1592 1 6 . 1 1 57 57 GLN CB C 57 30.178 30.178 28.746 1.432 25744 1593 1 6 . 1 1 57 57 GLN H H 57 8.492 8.492 8.422 0.070 25744 1594 1 6 . 1 1 58 58 ILE N N 58 120.157 120.157 115.970 4.187 25744 1595 1 6 . 1 1 58 58 ILE CA C 58 65.952 65.952 64.286 1.666 25744 1596 1 6 . 1 1 58 58 ILE CB C 58 37.747 37.747 36.217 1.530 25744 1597 1 6 . 1 1 58 58 ILE H H 58 8.347 8.347 7.940 0.407 25744 1598 1 6 . 1 1 59 59 ALA N N 59 121.345 121.345 122.275 -0.930 25744 1599 1 6 . 1 1 59 59 ALA CA C 59 55.304 55.304 55.144 0.160 25744 1600 1 6 . 1 1 59 59 ALA CB C 59 17.970 17.970 17.869 0.101 25744 1601 1 6 . 1 1 59 59 ALA H H 59 7.657 7.657 7.634 0.023 25744 1602 1 6 . 1 1 60 60 VAL N N 60 117.152 117.152 118.989 -1.837 25744 1603 1 6 . 1 1 60 60 VAL CA C 60 66.208 66.208 65.247 0.961 25744 1604 1 6 . 1 1 60 60 VAL CB C 60 31.481 31.481 30.454 1.027 25744 1605 1 6 . 1 1 60 60 VAL H H 60 7.144 7.144 7.582 -0.438 25744 1606 1 6 . 1 1 61 61 ALA N N 61 123.936 123.936 121.778 2.158 25744 1607 1 6 . 1 1 61 61 ALA CA C 61 56.371 56.371 55.260 1.111 25744 1608 1 6 . 1 1 61 61 ALA CB C 61 16.482 16.482 18.182 -1.700 25744 1609 1 6 . 1 1 61 61 ALA H H 61 8.225 8.225 8.660 -0.435 25744 1610 1 6 . 1 1 62 62 ASN N N 62 114.116 114.116 117.099 -2.983 25744 1611 1 6 . 1 1 62 62 ASN CA C 62 56.845 56.845 56.502 0.344 25744 1612 1 6 . 1 1 62 62 ASN CB C 62 38.356 38.356 38.617 -0.261 25744 1613 1 6 . 1 1 62 62 ASN H H 62 8.500 8.500 8.280 0.220 25744 1614 1 6 . 1 1 63 63 ARG N N 63 122.173 122.173 119.850 2.323 25744 1615 1 6 . 1 1 63 63 ARG CA C 63 59.926 59.926 58.270 1.656 25744 1616 1 6 . 1 1 63 63 ARG CB C 63 30.889 30.889 30.146 0.743 25744 1617 1 6 . 1 1 63 63 ARG H H 63 7.474 7.474 7.631 -0.157 25744 1618 1 6 . 1 1 64 64 VAL N N 64 121.659 121.659 121.168 0.491 25744 1619 1 6 . 1 1 64 64 VAL CA C 64 65.852 65.852 65.837 0.015 25744 1620 1 6 . 1 1 64 64 VAL CB C 64 31.718 31.718 31.153 0.565 25744 1621 1 6 . 1 1 64 64 VAL H H 64 8.107 8.107 8.377 -0.270 25744 1622 1 6 . 1 1 65 65 LEU N N 65 120.681 120.681 120.073 0.608 25744 1623 1 6 . 1 1 65 65 LEU CA C 65 57.556 57.556 58.836 -1.280 25744 1624 1 6 . 1 1 65 65 LEU CB C 65 43.333 43.333 40.746 2.587 25744 1625 1 6 . 1 1 65 65 LEU H H 65 8.948 8.948 8.056 0.892 25744 1626 1 6 . 1 1 66 66 ALA N N 66 118.509 118.509 121.442 -2.933 25744 1627 1 6 . 1 1 66 66 ALA CA C 66 54.830 54.830 54.645 0.185 25744 1628 1 6 . 1 1 66 66 ALA CB C 66 19.155 19.155 18.220 0.935 25744 1629 1 6 . 1 1 66 66 ALA H H 66 7.390 7.390 7.815 -0.425 25744 1630 1 6 . 1 1 67 67 GLU N N 67 114.309 114.309 119.499 -5.190 25744 1631 1 6 . 1 1 67 67 GLU CA C 67 57.700 57.700 58.475 -0.775 25744 1632 1 6 . 1 1 67 67 GLU CB C 67 32.531 32.531 30.158 2.373 25744 1633 1 6 . 1 1 67 67 GLU H H 67 7.369 7.369 7.833 -0.464 25744 1634 1 6 . 1 1 68 68 GLN N N 68 116.281 116.281 117.650 -1.369 25744 1635 1 6 . 1 1 68 68 GLN CA C 68 55.778 55.778 55.472 0.306 25744 1636 1 6 . 1 1 68 68 GLN CB C 68 30.889 30.889 30.681 0.208 25744 1637 1 6 . 1 1 68 68 GLN H H 68 8.914 8.914 8.156 0.758 25744 1638 1 6 . 1 1 69 69 GLY N N 69 109.577 109.577 107.051 2.526 25744 1639 1 6 . 1 1 69 69 GLY CA C 69 45.941 45.941 44.495 1.446 25744 1640 1 6 . 1 1 69 69 GLY H H 69 8.134 8.134 7.790 0.344 25744 1641 1 6 . 1 1 70 70 LEU N N 70 121.331 121.331 118.898 2.433 25744 1642 1 6 . 1 1 70 70 LEU CA C 70 54.522 54.522 57.507 -2.985 25744 1643 1 6 . 1 1 70 70 LEU CB C 70 41.954 41.954 42.091 -0.137 25744 1644 1 6 . 1 1 70 70 LEU H H 70 8.519 8.519 8.582 -0.063 25744 1645 1 6 . 1 1 71 71 ASP N N 71 120.681 120.681 120.721 -0.040 25744 1646 1 6 . 1 1 71 71 ASP CA C 71 57.082 57.082 56.009 1.073 25744 1647 1 6 . 1 1 71 71 ASP CB C 71 40.844 40.844 39.961 0.883 25744 1648 1 6 . 1 1 71 71 ASP H H 71 7.718 7.718 8.627 -0.909 25744 1649 1 6 . 1 1 72 72 ALA N N 72 119.110 119.110 121.749 -2.639 25744 1650 1 6 . 1 1 72 72 ALA CA C 72 53.289 53.289 53.388 -0.099 25744 1651 1 6 . 1 1 72 72 ALA CB C 72 15.885 15.885 18.933 -3.048 25744 1652 1 6 . 1 1 72 72 ALA H H 72 8.009 8.009 7.408 0.601 25744 1653 1 6 . 1 1 73 73 TRP N N 73 117.503 117.503 119.183 -1.680 25744 1654 1 6 . 1 1 73 73 TRP CA C 73 56.963 56.963 55.105 1.858 25744 1655 1 6 . 1 1 73 73 TRP CB C 73 28.163 28.163 29.566 -1.403 25744 1656 1 6 . 1 1 73 73 TRP H H 73 7.791 7.791 7.902 -0.111 25744 1657 1 6 . 1 1 74 74 PRO CA C 74 65.586 65.586 63.700 1.886 25744 1658 1 6 . 1 1 74 74 PRO CB C 74 32.234 32.234 32.157 0.077 25744 1659 1 6 . 1 1 75 75 THR N N 75 111.008 111.008 109.330 1.678 25744 1660 1 6 . 1 1 75 75 THR CA C 75 63.482 63.482 63.793 -0.311 25744 1661 1 6 . 1 1 75 75 THR CB C 75 68.815 68.815 68.293 0.522 25744 1662 1 6 . 1 1 75 75 THR H H 75 8.197 8.197 8.180 0.017 25744 1663 1 6 . 1 1 76 76 CYS N N 76 119.131 119.131 124.214 -5.083 25744 1664 1 6 . 1 1 76 76 CYS CA C 76 54.853 54.853 57.830 -2.977 25744 1665 1 6 . 1 1 76 76 CYS CB C 76 39.280 39.280 24.623 14.656 25744 1666 1 6 . 1 1 76 76 CYS H H 76 8.144 8.144 8.193 -0.049 25744 1667 1 6 . 1 1 77 77 GLY N N 77 110.834 110.834 111.049 -0.215 25744 1668 1 6 . 1 1 77 77 GLY CA C 77 48.430 48.430 44.121 4.309 25744 1669 1 6 . 1 1 77 77 GLY H H 77 8.774 8.774 8.252 0.522 25744 1670 1 6 . 1 1 78 78 ALA N N 78 123.300 123.300 123.807 -0.507 25744 1671 1 6 . 1 1 78 78 ALA CA C 78 53.882 53.882 54.454 -0.572 25744 1672 1 6 . 1 1 78 78 ALA CB C 78 18.563 18.563 18.152 0.411 25744 1673 1 6 . 1 1 78 78 ALA H H 78 8.142 8.142 7.407 0.735 25744 1674 1 6 . 1 1 80 80 SER N N 80 111.423 111.423 111.861 -0.438 25744 1675 1 6 . 1 1 80 80 SER CA C 80 59.723 59.723 58.235 1.488 25744 1676 1 6 . 1 1 80 80 SER CB C 80 63.648 63.648 64.176 -0.528 25744 1677 1 6 . 1 1 80 80 SER H H 80 7.742 7.742 7.711 0.031 25744 1678 1 6 . 1 1 81 81 GLY N N 81 111.317 111.317 111.169 0.148 25744 1679 1 6 . 1 1 81 81 GLY CA C 81 45.430 45.430 45.404 0.026 25744 1680 1 6 . 1 1 81 81 GLY H H 81 7.562 7.562 7.424 0.138 25744 1681 1 7 . 1 1 4 4 GLY N N 4 110.205 110.205 112.853 -2.648 25744 1682 1 7 . 1 1 4 4 GLY CA C 4 44.519 44.519 44.387 0.132 25744 1683 1 7 . 1 1 4 4 GLY H H 4 8.067 8.067 8.518 -0.451 25744 1684 1 7 . 1 1 5 5 PRO CA C 5 63.030 63.030 62.561 0.469 25744 1685 1 7 . 1 1 5 5 PRO CB C 5 32.458 32.458 32.568 -0.110 25744 1686 1 7 . 1 1 6 6 SER N N 6 116.630 116.630 117.652 -1.022 25744 1687 1 7 . 1 1 6 6 SER CA C 6 56.015 56.015 56.875 -0.860 25744 1688 1 7 . 1 1 6 6 SER CB C 6 63.363 63.363 63.672 -0.309 25744 1689 1 7 . 1 1 6 6 SER H H 6 8.304 8.304 8.328 -0.024 25744 1690 1 7 . 1 1 7 7 PRO CA C 7 62.430 62.430 62.732 -0.302 25744 1691 1 7 . 1 1 7 7 PRO CB C 7 30.960 30.960 32.131 -1.171 25744 1692 1 7 . 1 1 8 8 ASN N N 8 120.122 120.122 121.289 -1.167 25744 1693 1 7 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.460 -1.660 25744 1694 1 7 . 1 1 8 8 ASN CB C 8 36.222 36.222 39.336 -3.114 25744 1695 1 7 . 1 1 8 8 ASN H H 8 8.667 8.667 8.598 0.069 25744 1696 1 7 . 1 1 9 9 TRP N N 9 123.684 123.684 125.388 -1.704 25744 1697 1 7 . 1 1 9 9 TRP CA C 9 59.215 59.215 61.349 -2.134 25744 1698 1 7 . 1 1 9 9 TRP CB C 9 30.780 30.780 29.792 0.988 25744 1699 1 7 . 1 1 9 9 TRP H H 9 7.691 7.691 8.754 -1.063 25744 1700 1 7 . 1 1 10 10 ASP N N 10 118.132 118.132 118.685 -0.553 25744 1701 1 7 . 1 1 10 10 ASP CA C 10 58.622 58.622 57.613 1.009 25744 1702 1 7 . 1 1 10 10 ASP CB C 10 40.844 40.844 40.441 0.403 25744 1703 1 7 . 1 1 10 10 ASP H H 10 8.320 8.320 8.574 -0.254 25744 1704 1 7 . 1 1 11 11 ALA N N 11 124.299 124.299 121.819 2.480 25744 1705 1 7 . 1 1 11 11 ALA CA C 11 54.593 54.593 54.761 -0.168 25744 1706 1 7 . 1 1 11 11 ALA CB C 11 18.681 18.681 18.457 0.224 25744 1707 1 7 . 1 1 11 11 ALA H H 11 7.395 7.395 7.659 -0.264 25744 1708 1 7 . 1 1 12 12 VAL N N 12 120.997 120.997 118.602 2.395 25744 1709 1 7 . 1 1 12 12 VAL CA C 12 66.682 66.682 66.207 0.475 25744 1710 1 7 . 1 1 12 12 VAL CB C 12 31.481 31.481 30.310 1.171 25744 1711 1 7 . 1 1 12 12 VAL H H 12 7.464 7.464 7.939 -0.475 25744 1712 1 7 . 1 1 13 13 ALA N N 13 121.205 121.205 121.348 -0.143 25744 1713 1 7 . 1 1 13 13 ALA CA C 13 54.711 54.711 55.271 -0.560 25744 1714 1 7 . 1 1 13 13 ALA CB C 13 18.918 18.918 17.731 1.187 25744 1715 1 7 . 1 1 13 13 ALA H H 13 8.523 8.523 7.966 0.557 25744 1716 1 7 . 1 1 14 14 GLN N N 14 120.926 120.926 115.824 5.102 25744 1717 1 7 . 1 1 14 14 GLN CA C 14 58.978 58.978 57.782 1.196 25744 1718 1 7 . 1 1 14 14 GLN CB C 14 27.689 27.689 28.634 -0.945 25744 1719 1 7 . 1 1 14 14 GLN H H 14 8.046 8.046 8.057 -0.011 25744 1720 1 7 . 1 1 15 15 CYS N N 15 118.916 118.916 116.853 2.063 25744 1721 1 7 . 1 1 15 15 CYS CA C 15 59.334 59.334 59.317 0.017 25744 1722 1 7 . 1 1 15 15 CYS CB C 15 35.748 35.748 28.717 7.031 25744 1723 1 7 . 1 1 15 15 CYS H H 15 7.108 7.108 7.583 -0.475 25744 1724 1 7 . 1 1 16 16 GLU N N 16 120.227 120.227 118.938 1.289 25744 1725 1 7 . 1 1 16 16 GLU CA C 16 58.978 58.978 57.937 1.041 25744 1726 1 7 . 1 1 16 16 GLU CB C 16 30.051 30.051 31.422 -1.371 25744 1727 1 7 . 1 1 16 16 GLU H H 16 8.776 8.776 8.422 0.354 25744 1728 1 7 . 1 1 17 17 SER N N 17 109.577 109.577 111.699 -2.122 25744 1729 1 7 . 1 1 17 17 SER CA C 17 57.771 57.771 58.197 -0.425 25744 1730 1 7 . 1 1 17 17 SER CB C 17 66.563 66.563 65.708 0.855 25744 1731 1 7 . 1 1 17 17 SER H H 17 8.467 8.467 8.393 0.074 25744 1732 1 7 . 1 1 18 18 GLY N N 18 113.669 113.669 110.676 2.993 25744 1733 1 7 . 1 1 18 18 GLY CA C 18 46.652 46.652 45.684 0.968 25744 1734 1 7 . 1 1 18 18 GLY H H 18 7.598 7.598 8.204 -0.606 25744 1735 1 7 . 1 1 19 19 GLY N N 19 106.884 106.884 107.902 -1.018 25744 1736 1 7 . 1 1 19 19 GLY CA C 19 45.467 45.467 45.668 -0.201 25744 1737 1 7 . 1 1 19 19 GLY H H 19 7.476 7.476 8.105 -0.629 25744 1738 1 7 . 1 1 20 20 ASN N N 20 116.428 116.428 123.035 -6.607 25744 1739 1 7 . 1 1 20 20 ASN CA C 20 50.445 50.445 54.034 -3.589 25744 1740 1 7 . 1 1 20 20 ASN CB C 20 38.510 38.510 37.499 1.011 25744 1741 1 7 . 1 1 20 20 ASN H H 20 6.580 6.580 8.457 -1.877 25744 1742 1 7 . 1 1 21 21 TRP N N 21 124.313 124.313 127.472 -3.159 25744 1743 1 7 . 1 1 21 21 TRP CA C 21 60.400 60.400 61.266 -0.866 25744 1744 1 7 . 1 1 21 21 TRP CB C 21 27.689 27.689 29.230 -1.541 25744 1745 1 7 . 1 1 21 21 TRP H H 21 8.262 8.262 8.372 -0.110 25744 1746 1 7 . 1 1 22 22 ALA N N 22 120.192 120.192 117.874 2.318 25744 1747 1 7 . 1 1 22 22 ALA CA C 22 50.208 50.208 52.164 -1.956 25744 1748 1 7 . 1 1 22 22 ALA CB C 22 19.037 19.037 17.658 1.379 25744 1749 1 7 . 1 1 22 22 ALA H H 22 7.668 7.668 8.083 -0.415 25744 1750 1 7 . 1 1 23 23 ALA N N 23 121.314 121.314 121.442 -0.128 25744 1751 1 7 . 1 1 23 23 ALA CA C 23 54.711 54.711 52.392 2.319 25744 1752 1 7 . 1 1 23 23 ALA CB C 23 18.701 18.701 17.292 1.409 25744 1753 1 7 . 1 1 23 23 ALA H H 23 6.929 6.929 7.343 -0.414 25744 1754 1 7 . 1 1 24 24 ASN N N 24 119.494 119.494 119.842 -0.348 25744 1755 1 7 . 1 1 24 24 ASN CA C 24 52.459 52.459 53.361 -0.902 25744 1756 1 7 . 1 1 24 24 ASN CB C 24 37.170 37.170 37.639 -0.469 25744 1757 1 7 . 1 1 24 24 ASN H H 24 8.678 8.678 8.819 -0.141 25744 1758 1 7 . 1 1 25 25 THR N N 25 113.697 113.697 112.260 1.437 25744 1759 1 7 . 1 1 25 25 THR CA C 25 61.941 61.941 61.977 -0.036 25744 1760 1 7 . 1 1 25 25 THR CB C 25 69.171 69.171 69.580 -0.409 25744 1761 1 7 . 1 1 25 25 THR H H 25 9.174 9.174 8.080 1.094 25744 1762 1 7 . 1 1 26 26 GLY N N 26 110.554 110.554 112.147 -1.593 25744 1763 1 7 . 1 1 26 26 GLY CA C 26 45.822 45.822 45.433 0.389 25744 1764 1 7 . 1 1 26 26 GLY H H 26 8.381 8.381 7.968 0.413 25744 1765 1 7 . 1 1 27 27 ASN N N 27 118.272 118.272 118.758 -0.486 25744 1766 1 7 . 1 1 27 27 ASN CA C 27 51.985 51.985 52.689 -0.704 25744 1767 1 7 . 1 1 27 27 ASN CB C 27 37.436 37.436 37.886 -0.450 25744 1768 1 7 . 1 1 27 27 ASN H H 27 7.718 7.718 8.434 -0.716 25744 1769 1 7 . 1 1 28 28 GLY N N 28 108.669 108.669 107.635 1.034 25744 1770 1 7 . 1 1 28 28 GLY CA C 28 45.348 45.348 45.849 -0.501 25744 1771 1 7 . 1 1 28 28 GLY H H 28 8.287 8.287 7.799 0.488 25744 1772 1 7 . 1 1 29 29 LYS N N 29 116.881 116.881 118.866 -1.985 25744 1773 1 7 . 1 1 29 29 LYS CA C 29 54.119 54.119 55.379 -1.260 25744 1774 1 7 . 1 1 29 29 LYS CB C 29 35.184 35.184 35.441 -0.257 25744 1775 1 7 . 1 1 29 29 LYS H H 29 7.256 7.256 7.567 -0.311 25744 1776 1 7 . 1 1 30 30 TYR N N 30 115.548 115.548 118.026 -2.478 25744 1777 1 7 . 1 1 30 30 TYR CA C 30 58.148 58.148 57.745 0.403 25744 1778 1 7 . 1 1 30 30 TYR CB C 30 44.163 44.163 42.353 1.810 25744 1779 1 7 . 1 1 30 30 TYR H H 30 8.421 8.421 8.393 0.028 25744 1780 1 7 . 1 1 31 31 GLY N N 31 110.774 110.774 110.947 -0.173 25744 1781 1 7 . 1 1 31 31 GLY CA C 31 44.767 44.767 45.739 -0.972 25744 1782 1 7 . 1 1 31 31 GLY H H 31 9.969 9.969 9.193 0.776 25744 1783 1 7 . 1 1 32 32 GLY N N 32 109.262 109.262 106.035 3.227 25744 1784 1 7 . 1 1 32 32 GLY CA C 32 46.193 46.193 45.388 0.805 25744 1785 1 7 . 1 1 32 32 GLY H H 32 9.008 9.008 8.233 0.775 25744 1786 1 7 . 1 1 33 33 LEU N N 33 115.269 115.269 119.946 -4.677 25744 1787 1 7 . 1 1 33 33 LEU CA C 33 52.815 52.815 53.392 -0.577 25744 1788 1 7 . 1 1 33 33 LEU CB C 33 41.556 41.556 42.806 -1.250 25744 1789 1 7 . 1 1 33 33 LEU H H 33 7.843 7.843 8.031 -0.188 25744 1790 1 7 . 1 1 34 34 GLN N N 34 112.176 112.176 118.317 -6.141 25744 1791 1 7 . 1 1 34 34 GLN CA C 34 55.304 55.304 56.940 -1.636 25744 1792 1 7 . 1 1 34 34 GLN CB C 34 27.333 27.333 27.822 -0.489 25744 1793 1 7 . 1 1 34 34 GLN H H 34 7.321 7.321 8.170 -0.849 25744 1794 1 7 . 1 1 35 35 PHE N N 35 116.246 116.246 119.768 -3.522 25744 1795 1 7 . 1 1 35 35 PHE CA C 35 59.334 59.334 57.441 1.893 25744 1796 1 7 . 1 1 35 35 PHE CB C 35 41.793 41.793 40.026 1.767 25744 1797 1 7 . 1 1 35 35 PHE H H 35 7.708 7.708 8.027 -0.319 25744 1798 1 7 . 1 1 36 36 LYS N N 36 122.039 122.039 127.558 -5.519 25744 1799 1 7 . 1 1 36 36 LYS CA C 36 54.711 54.711 56.421 -1.710 25744 1800 1 7 . 1 1 36 36 LYS CB C 36 32.193 32.193 31.957 0.236 25744 1801 1 7 . 1 1 36 36 LYS H H 36 9.110 9.110 8.385 0.725 25744 1802 1 7 . 1 1 37 37 PRO CA C 37 66.626 66.626 65.848 0.778 25744 1803 1 7 . 1 1 37 37 PRO CB C 37 32.234 32.234 31.921 0.314 25744 1804 1 7 . 1 1 39 39 THR N N 39 115.976 115.976 114.135 1.841 25744 1805 1 7 . 1 1 39 39 THR CA C 39 65.971 65.971 65.199 0.772 25744 1806 1 7 . 1 1 39 39 THR CB C 39 69.550 69.550 68.517 1.033 25744 1807 1 7 . 1 1 39 39 THR H H 39 7.046 7.046 7.400 -0.354 25744 1808 1 7 . 1 1 40 40 TRP N N 40 120.053 120.053 124.042 -3.989 25744 1809 1 7 . 1 1 40 40 TRP CA C 40 60.163 60.163 59.773 0.390 25744 1810 1 7 . 1 1 40 40 TRP CB C 40 30.317 30.317 29.543 0.774 25744 1811 1 7 . 1 1 40 40 TRP H H 40 7.810 7.810 8.505 -0.695 25744 1812 1 7 . 1 1 41 41 ALA N N 41 117.049 117.049 121.955 -4.906 25744 1813 1 7 . 1 1 41 41 ALA CA C 41 54.119 54.119 54.990 -0.871 25744 1814 1 7 . 1 1 41 41 ALA CB C 41 18.800 18.800 17.736 1.064 25744 1815 1 7 . 1 1 41 41 ALA H H 41 8.117 8.117 8.319 -0.202 25744 1816 1 7 . 1 1 42 42 ALA N N 42 120.416 120.416 121.844 -1.428 25744 1817 1 7 . 1 1 42 42 ALA CA C 42 53.408 53.408 54.596 -1.188 25744 1818 1 7 . 1 1 42 42 ALA CB C 42 18.020 18.020 18.862 -0.842 25744 1819 1 7 . 1 1 42 42 ALA H H 42 7.678 7.678 7.865 -0.187 25744 1820 1 7 . 1 1 43 43 PHE N N 43 113.805 113.805 117.732 -3.927 25744 1821 1 7 . 1 1 43 43 PHE CA C 43 57.911 57.911 57.137 0.774 25744 1822 1 7 . 1 1 43 43 PHE CB C 43 38.711 38.711 39.006 -0.295 25744 1823 1 7 . 1 1 43 43 PHE H H 43 7.044 7.044 7.499 -0.455 25744 1824 1 7 . 1 1 44 44 GLY N N 44 104.034 104.034 107.394 -3.360 25744 1825 1 7 . 1 1 44 44 GLY CA C 44 45.963 45.963 44.983 0.980 25744 1826 1 7 . 1 1 44 44 GLY H H 44 7.099 7.099 8.071 -0.972 25744 1827 1 7 . 1 1 45 45 GLY N N 45 110.240 110.240 108.134 2.106 25744 1828 1 7 . 1 1 45 45 GLY CA C 45 44.622 44.622 45.715 -1.093 25744 1829 1 7 . 1 1 45 45 GLY H H 45 8.015 8.015 8.165 -0.150 25744 1830 1 7 . 1 1 46 46 VAL N N 46 122.532 122.532 119.681 2.851 25744 1831 1 7 . 1 1 46 46 VAL CA C 46 60.910 60.910 61.939 -1.029 25744 1832 1 7 . 1 1 46 46 VAL CB C 46 34.444 34.444 33.031 1.413 25744 1833 1 7 . 1 1 46 46 VAL H H 46 7.854 7.854 7.649 0.205 25744 1834 1 7 . 1 1 47 47 GLY N N 47 114.605 114.605 114.200 0.405 25744 1835 1 7 . 1 1 47 47 GLY CA C 47 45.230 45.230 46.023 -0.793 25744 1836 1 7 . 1 1 48 48 ASN N N 48 121.458 121.458 121.004 0.454 25744 1837 1 7 . 1 1 48 48 ASN CA C 48 57.494 57.494 57.915 -0.421 25744 1838 1 7 . 1 1 48 48 ASN CB C 48 31.011 31.011 37.326 -6.315 25744 1839 1 7 . 1 1 48 48 ASN H H 48 8.500 8.500 8.520 -0.020 25744 1840 1 7 . 1 1 49 49 PRO CA C 49 64.978 64.978 64.961 0.017 25744 1841 1 7 . 1 1 49 49 PRO CB C 49 30.885 30.885 30.608 0.277 25744 1842 1 7 . 1 1 50 50 ALA N N 50 110.593 110.593 121.368 -10.775 25744 1843 1 7 . 1 1 50 50 ALA CA C 50 53.171 53.171 54.182 -1.011 25744 1844 1 7 . 1 1 50 50 ALA CB C 50 18.404 18.404 18.644 -0.240 25744 1845 1 7 . 1 1 50 50 ALA H H 50 7.787 7.787 7.433 0.354 25744 1846 1 7 . 1 1 51 51 ALA N N 51 118.962 118.962 120.982 -2.020 25744 1847 1 7 . 1 1 51 51 ALA CA C 51 51.037 51.037 52.229 -1.192 25744 1848 1 7 . 1 1 51 51 ALA CB C 51 19.507 19.507 19.766 -0.259 25744 1849 1 7 . 1 1 51 51 ALA H H 51 7.436 7.436 8.085 -0.649 25744 1850 1 7 . 1 1 52 52 ALA N N 52 122.852 122.852 122.642 0.210 25744 1851 1 7 . 1 1 52 52 ALA CA C 52 50.682 50.682 52.210 -1.528 25744 1852 1 7 . 1 1 52 52 ALA CB C 52 20.654 20.654 18.982 1.672 25744 1853 1 7 . 1 1 52 52 ALA H H 52 7.080 7.080 8.012 -0.932 25744 1854 1 7 . 1 1 53 53 SER N N 53 119.459 119.459 120.858 -1.399 25744 1855 1 7 . 1 1 53 53 SER CA C 53 57.437 57.437 58.289 -0.852 25744 1856 1 7 . 1 1 53 53 SER CB C 53 64.914 64.914 63.804 1.110 25744 1857 1 7 . 1 1 53 53 SER H H 53 8.916 8.916 8.305 0.611 25744 1858 1 7 . 1 1 54 54 ARG N N 54 122.357 122.357 123.333 -0.976 25744 1859 1 7 . 1 1 54 54 ARG CA C 54 59.334 59.334 59.806 -0.472 25744 1860 1 7 . 1 1 54 54 ARG CB C 54 29.111 29.111 29.209 -0.098 25744 1861 1 7 . 1 1 54 54 ARG H H 54 8.791 8.791 8.600 0.191 25744 1862 1 7 . 1 1 55 55 GLU N N 55 114.989 114.989 117.679 -2.690 25744 1863 1 7 . 1 1 55 55 GLU CA C 55 61.348 61.348 59.507 1.841 25744 1864 1 7 . 1 1 55 55 GLU CB C 55 28.756 28.756 29.057 -0.301 25744 1865 1 7 . 1 1 55 55 GLU H H 55 8.214 8.214 8.464 -0.250 25744 1866 1 7 . 1 1 56 56 GLN N N 56 121.065 121.065 119.535 1.530 25744 1867 1 7 . 1 1 56 56 GLN CA C 56 58.504 58.504 58.662 -0.158 25744 1868 1 7 . 1 1 56 56 GLN CB C 56 29.704 29.704 28.542 1.162 25744 1869 1 7 . 1 1 56 56 GLN H H 56 7.975 7.975 7.568 0.407 25744 1870 1 7 . 1 1 57 57 GLN N N 57 120.192 120.192 119.569 0.623 25744 1871 1 7 . 1 1 57 57 GLN CA C 57 60.400 60.400 58.416 1.984 25744 1872 1 7 . 1 1 57 57 GLN CB C 57 30.178 30.178 28.738 1.440 25744 1873 1 7 . 1 1 57 57 GLN H H 57 8.492 8.492 8.382 0.110 25744 1874 1 7 . 1 1 58 58 ILE N N 58 120.157 120.157 116.962 3.195 25744 1875 1 7 . 1 1 58 58 ILE CA C 58 65.952 65.952 64.189 1.762 25744 1876 1 7 . 1 1 58 58 ILE CB C 58 37.747 37.747 36.316 1.431 25744 1877 1 7 . 1 1 58 58 ILE H H 58 8.347 8.347 7.984 0.363 25744 1878 1 7 . 1 1 59 59 ALA N N 59 121.345 121.345 122.339 -0.994 25744 1879 1 7 . 1 1 59 59 ALA CA C 59 55.304 55.304 55.395 -0.091 25744 1880 1 7 . 1 1 59 59 ALA CB C 59 17.970 17.970 17.938 0.032 25744 1881 1 7 . 1 1 59 59 ALA H H 59 7.657 7.657 7.919 -0.262 25744 1882 1 7 . 1 1 60 60 VAL N N 60 117.152 117.152 118.822 -1.670 25744 1883 1 7 . 1 1 60 60 VAL CA C 60 66.208 66.208 65.265 0.943 25744 1884 1 7 . 1 1 60 60 VAL CB C 60 31.481 31.481 30.421 1.060 25744 1885 1 7 . 1 1 60 60 VAL H H 60 7.144 7.144 7.503 -0.359 25744 1886 1 7 . 1 1 61 61 ALA N N 61 123.936 123.936 121.948 1.988 25744 1887 1 7 . 1 1 61 61 ALA CA C 61 56.371 56.371 55.293 1.078 25744 1888 1 7 . 1 1 61 61 ALA CB C 61 16.482 16.482 18.114 -1.632 25744 1889 1 7 . 1 1 61 61 ALA H H 61 8.225 8.225 8.602 -0.377 25744 1890 1 7 . 1 1 62 62 ASN N N 62 114.116 114.116 117.096 -2.980 25744 1891 1 7 . 1 1 62 62 ASN CA C 62 56.845 56.845 56.696 0.149 25744 1892 1 7 . 1 1 62 62 ASN CB C 62 38.356 38.356 38.557 -0.202 25744 1893 1 7 . 1 1 62 62 ASN H H 62 8.500 8.500 8.445 0.055 25744 1894 1 7 . 1 1 63 63 ARG N N 63 122.173 122.173 119.757 2.416 25744 1895 1 7 . 1 1 63 63 ARG CA C 63 59.926 59.926 58.733 1.193 25744 1896 1 7 . 1 1 63 63 ARG CB C 63 30.889 30.889 30.431 0.458 25744 1897 1 7 . 1 1 63 63 ARG H H 63 7.474 7.474 7.542 -0.068 25744 1898 1 7 . 1 1 64 64 VAL N N 64 121.659 121.659 121.074 0.585 25744 1899 1 7 . 1 1 64 64 VAL CA C 64 65.852 65.852 65.927 -0.075 25744 1900 1 7 . 1 1 64 64 VAL CB C 64 31.718 31.718 31.063 0.655 25744 1901 1 7 . 1 1 64 64 VAL H H 64 8.107 8.107 8.361 -0.254 25744 1902 1 7 . 1 1 65 65 LEU N N 65 120.681 120.681 119.862 0.819 25744 1903 1 7 . 1 1 65 65 LEU CA C 65 57.556 57.556 58.972 -1.416 25744 1904 1 7 . 1 1 65 65 LEU CB C 65 43.333 43.333 40.983 2.350 25744 1905 1 7 . 1 1 65 65 LEU H H 65 8.948 8.948 8.258 0.690 25744 1906 1 7 . 1 1 66 66 ALA N N 66 118.509 118.509 121.304 -2.795 25744 1907 1 7 . 1 1 66 66 ALA CA C 66 54.830 54.830 54.465 0.365 25744 1908 1 7 . 1 1 66 66 ALA CB C 66 19.155 19.155 18.286 0.869 25744 1909 1 7 . 1 1 66 66 ALA H H 66 7.390 7.390 7.844 -0.454 25744 1910 1 7 . 1 1 67 67 GLU N N 67 114.309 114.309 118.817 -4.508 25744 1911 1 7 . 1 1 67 67 GLU CA C 67 57.700 57.700 58.582 -0.882 25744 1912 1 7 . 1 1 67 67 GLU CB C 67 32.531 32.531 30.079 2.452 25744 1913 1 7 . 1 1 67 67 GLU H H 67 7.369 7.369 7.827 -0.458 25744 1914 1 7 . 1 1 68 68 GLN N N 68 116.281 116.281 116.624 -0.343 25744 1915 1 7 . 1 1 68 68 GLN CA C 68 55.778 55.778 55.958 -0.180 25744 1916 1 7 . 1 1 68 68 GLN CB C 68 30.889 30.889 31.598 -0.709 25744 1917 1 7 . 1 1 68 68 GLN H H 68 8.914 8.914 7.993 0.921 25744 1918 1 7 . 1 1 69 69 GLY N N 69 109.577 109.577 107.639 1.938 25744 1919 1 7 . 1 1 69 69 GLY CA C 69 45.941 45.941 44.706 1.235 25744 1920 1 7 . 1 1 69 69 GLY H H 69 8.134 8.134 7.642 0.492 25744 1921 1 7 . 1 1 70 70 LEU N N 70 121.331 121.331 116.162 5.169 25744 1922 1 7 . 1 1 70 70 LEU CA C 70 54.522 54.522 56.317 -1.795 25744 1923 1 7 . 1 1 70 70 LEU CB C 70 41.954 41.954 41.975 -0.021 25744 1924 1 7 . 1 1 70 70 LEU H H 70 8.519 8.519 8.353 0.166 25744 1925 1 7 . 1 1 71 71 ASP N N 71 120.681 120.681 120.943 -0.262 25744 1926 1 7 . 1 1 71 71 ASP CA C 71 57.082 57.082 55.169 1.913 25744 1927 1 7 . 1 1 71 71 ASP CB C 71 40.844 40.844 40.529 0.316 25744 1928 1 7 . 1 1 71 71 ASP H H 71 7.718 7.718 8.041 -0.323 25744 1929 1 7 . 1 1 72 72 ALA N N 72 119.110 119.110 122.967 -3.857 25744 1930 1 7 . 1 1 72 72 ALA CA C 72 53.289 53.289 53.362 -0.073 25744 1931 1 7 . 1 1 72 72 ALA CB C 72 15.885 15.885 18.451 -2.567 25744 1932 1 7 . 1 1 72 72 ALA H H 72 8.009 8.009 8.286 -0.277 25744 1933 1 7 . 1 1 73 73 TRP N N 73 117.503 117.503 119.556 -2.053 25744 1934 1 7 . 1 1 73 73 TRP CA C 73 56.963 56.963 55.120 1.843 25744 1935 1 7 . 1 1 73 73 TRP CB C 73 28.163 28.163 28.380 -0.217 25744 1936 1 7 . 1 1 73 73 TRP H H 73 7.791 7.791 8.163 -0.372 25744 1937 1 7 . 1 1 74 74 PRO CA C 74 65.586 65.586 63.946 1.640 25744 1938 1 7 . 1 1 74 74 PRO CB C 74 32.234 32.234 31.984 0.250 25744 1939 1 7 . 1 1 75 75 THR N N 75 111.008 111.008 107.510 3.498 25744 1940 1 7 . 1 1 75 75 THR CA C 75 63.482 63.482 63.624 -0.142 25744 1941 1 7 . 1 1 75 75 THR CB C 75 68.815 68.815 68.569 0.246 25744 1942 1 7 . 1 1 75 75 THR H H 75 8.197 8.197 8.481 -0.284 25744 1943 1 7 . 1 1 76 76 CYS N N 76 119.131 119.131 119.706 -0.575 25744 1944 1 7 . 1 1 76 76 CYS CA C 76 54.853 54.853 59.052 -4.199 25744 1945 1 7 . 1 1 76 76 CYS CB C 76 39.280 39.280 27.907 11.373 25744 1946 1 7 . 1 1 76 76 CYS H H 76 8.144 8.144 7.850 0.294 25744 1947 1 7 . 1 1 77 77 GLY N N 77 110.834 110.834 106.892 3.942 25744 1948 1 7 . 1 1 77 77 GLY CA C 77 48.430 48.430 44.306 4.124 25744 1949 1 7 . 1 1 77 77 GLY H H 77 8.774 8.774 7.824 0.950 25744 1950 1 7 . 1 1 78 78 ALA N N 78 123.300 123.300 125.577 -2.277 25744 1951 1 7 . 1 1 78 78 ALA CA C 78 53.882 53.882 53.664 0.218 25744 1952 1 7 . 1 1 78 78 ALA CB C 78 18.563 18.563 17.151 1.412 25744 1953 1 7 . 1 1 78 78 ALA H H 78 8.142 8.142 7.913 0.229 25744 1954 1 7 . 1 1 80 80 SER N N 80 111.423 111.423 111.798 -0.375 25744 1955 1 7 . 1 1 80 80 SER CA C 80 59.723 59.723 58.163 1.560 25744 1956 1 7 . 1 1 80 80 SER CB C 80 63.648 63.648 64.610 -0.962 25744 1957 1 7 . 1 1 80 80 SER H H 80 7.742 7.742 7.886 -0.144 25744 1958 1 7 . 1 1 81 81 GLY N N 81 111.317 111.317 110.917 0.400 25744 1959 1 7 . 1 1 81 81 GLY CA C 81 45.430 45.430 46.161 -0.731 25744 1960 1 7 . 1 1 81 81 GLY H H 81 7.562 7.562 7.874 -0.312 25744 1961 1 8 . 1 1 4 4 GLY N N 4 110.205 110.205 109.609 0.596 25744 1962 1 8 . 1 1 4 4 GLY CA C 4 44.519 44.519 44.752 -0.233 25744 1963 1 8 . 1 1 4 4 GLY H H 4 8.067 8.067 8.783 -0.716 25744 1964 1 8 . 1 1 5 5 PRO CA C 5 63.030 63.030 62.689 0.341 25744 1965 1 8 . 1 1 5 5 PRO CB C 5 32.458 32.458 32.448 0.010 25744 1966 1 8 . 1 1 6 6 SER N N 6 116.630 116.630 116.556 0.074 25744 1967 1 8 . 1 1 6 6 SER CA C 6 56.015 56.015 57.823 -1.808 25744 1968 1 8 . 1 1 6 6 SER CB C 6 63.363 63.363 63.210 0.153 25744 1969 1 8 . 1 1 6 6 SER H H 6 8.304 8.304 8.283 0.021 25744 1970 1 8 . 1 1 7 7 PRO CA C 7 62.430 62.430 62.995 -0.565 25744 1971 1 8 . 1 1 7 7 PRO CB C 7 30.960 30.960 32.181 -1.221 25744 1972 1 8 . 1 1 8 8 ASN N N 8 120.122 120.122 119.588 0.534 25744 1973 1 8 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.330 -1.530 25744 1974 1 8 . 1 1 8 8 ASN CB C 8 36.222 36.222 40.578 -4.356 25744 1975 1 8 . 1 1 8 8 ASN H H 8 8.667 8.667 8.467 0.200 25744 1976 1 8 . 1 1 9 9 TRP N N 9 123.684 123.684 127.456 -3.772 25744 1977 1 8 . 1 1 9 9 TRP CA C 9 59.215 59.215 60.930 -1.715 25744 1978 1 8 . 1 1 9 9 TRP CB C 9 30.780 30.780 29.914 0.866 25744 1979 1 8 . 1 1 9 9 TRP H H 9 7.691 7.691 9.186 -1.495 25744 1980 1 8 . 1 1 10 10 ASP N N 10 118.132 118.132 119.228 -1.096 25744 1981 1 8 . 1 1 10 10 ASP CA C 10 58.622 58.622 57.313 1.309 25744 1982 1 8 . 1 1 10 10 ASP CB C 10 40.844 40.844 40.670 0.174 25744 1983 1 8 . 1 1 10 10 ASP H H 10 8.320 8.320 8.559 -0.239 25744 1984 1 8 . 1 1 11 11 ALA N N 11 124.299 124.299 121.256 3.043 25744 1985 1 8 . 1 1 11 11 ALA CA C 11 54.593 54.593 54.969 -0.376 25744 1986 1 8 . 1 1 11 11 ALA CB C 11 18.681 18.681 18.522 0.159 25744 1987 1 8 . 1 1 11 11 ALA H H 11 7.395 7.395 7.813 -0.418 25744 1988 1 8 . 1 1 12 12 VAL N N 12 120.997 120.997 118.946 2.051 25744 1989 1 8 . 1 1 12 12 VAL CA C 12 66.682 66.682 65.931 0.751 25744 1990 1 8 . 1 1 12 12 VAL CB C 12 31.481 31.481 30.215 1.266 25744 1991 1 8 . 1 1 12 12 VAL H H 12 7.464 7.464 7.552 -0.088 25744 1992 1 8 . 1 1 13 13 ALA N N 13 121.205 121.205 121.250 -0.045 25744 1993 1 8 . 1 1 13 13 ALA CA C 13 54.711 54.711 55.154 -0.443 25744 1994 1 8 . 1 1 13 13 ALA CB C 13 18.918 18.918 17.608 1.310 25744 1995 1 8 . 1 1 13 13 ALA H H 13 8.523 8.523 7.706 0.817 25744 1996 1 8 . 1 1 14 14 GLN N N 14 120.926 120.926 117.050 3.876 25744 1997 1 8 . 1 1 14 14 GLN CA C 14 58.978 58.978 58.043 0.935 25744 1998 1 8 . 1 1 14 14 GLN CB C 14 27.689 27.689 28.905 -1.216 25744 1999 1 8 . 1 1 14 14 GLN H H 14 8.046 8.046 8.327 -0.281 25744 2000 1 8 . 1 1 15 15 CYS N N 15 118.916 118.916 117.633 1.283 25744 2001 1 8 . 1 1 15 15 CYS CA C 15 59.334 59.334 60.564 -1.230 25744 2002 1 8 . 1 1 15 15 CYS CB C 15 35.748 35.748 28.544 7.205 25744 2003 1 8 . 1 1 15 15 CYS H H 15 7.108 7.108 7.842 -0.734 25744 2004 1 8 . 1 1 16 16 GLU N N 16 120.227 120.227 120.318 -0.091 25744 2005 1 8 . 1 1 16 16 GLU CA C 16 58.978 58.978 58.714 0.264 25744 2006 1 8 . 1 1 16 16 GLU CB C 16 30.051 30.051 30.147 -0.096 25744 2007 1 8 . 1 1 16 16 GLU H H 16 8.776 8.776 8.397 0.379 25744 2008 1 8 . 1 1 17 17 SER N N 17 109.577 109.577 112.995 -3.418 25744 2009 1 8 . 1 1 17 17 SER CA C 17 57.771 57.771 58.305 -0.534 25744 2010 1 8 . 1 1 17 17 SER CB C 17 66.563 66.563 64.512 2.051 25744 2011 1 8 . 1 1 17 17 SER H H 17 8.467 8.467 8.172 0.295 25744 2012 1 8 . 1 1 18 18 GLY N N 18 113.669 113.669 110.519 3.150 25744 2013 1 8 . 1 1 18 18 GLY CA C 18 46.652 46.652 45.864 0.788 25744 2014 1 8 . 1 1 18 18 GLY H H 18 7.598 7.598 8.090 -0.492 25744 2015 1 8 . 1 1 19 19 GLY N N 19 106.884 106.884 108.490 -1.606 25744 2016 1 8 . 1 1 19 19 GLY CA C 19 45.467 45.467 44.989 0.478 25744 2017 1 8 . 1 1 19 19 GLY H H 19 7.476 7.476 7.661 -0.185 25744 2018 1 8 . 1 1 20 20 ASN N N 20 116.428 116.428 119.139 -2.711 25744 2019 1 8 . 1 1 20 20 ASN CA C 20 50.445 50.445 52.029 -1.584 25744 2020 1 8 . 1 1 20 20 ASN CB C 20 38.510 38.510 41.082 -2.572 25744 2021 1 8 . 1 1 20 20 ASN H H 20 6.580 6.580 8.055 -1.475 25744 2022 1 8 . 1 1 21 21 TRP N N 21 124.313 124.313 123.220 1.093 25744 2023 1 8 . 1 1 21 21 TRP CA C 21 60.400 60.400 60.509 -0.109 25744 2024 1 8 . 1 1 21 21 TRP CB C 21 27.689 27.689 29.825 -2.136 25744 2025 1 8 . 1 1 21 21 TRP H H 21 8.262 8.262 8.814 -0.552 25744 2026 1 8 . 1 1 22 22 ALA N N 22 120.192 120.192 119.802 0.390 25744 2027 1 8 . 1 1 22 22 ALA CA C 22 50.208 50.208 50.910 -0.702 25744 2028 1 8 . 1 1 22 22 ALA CB C 22 19.037 19.037 17.445 1.592 25744 2029 1 8 . 1 1 22 22 ALA H H 22 7.668 7.668 7.958 -0.290 25744 2030 1 8 . 1 1 23 23 ALA N N 23 121.314 121.314 123.057 -1.743 25744 2031 1 8 . 1 1 23 23 ALA CA C 23 54.711 54.711 51.573 3.138 25744 2032 1 8 . 1 1 23 23 ALA CB C 23 18.701 18.701 17.274 1.427 25744 2033 1 8 . 1 1 23 23 ALA H H 23 6.929 6.929 7.703 -0.774 25744 2034 1 8 . 1 1 24 24 ASN N N 24 119.494 119.494 120.646 -1.152 25744 2035 1 8 . 1 1 24 24 ASN CA C 24 52.459 52.459 52.765 -0.306 25744 2036 1 8 . 1 1 24 24 ASN CB C 24 37.170 37.170 37.383 -0.213 25744 2037 1 8 . 1 1 24 24 ASN H H 24 8.678 8.678 8.320 0.358 25744 2038 1 8 . 1 1 25 25 THR N N 25 113.697 113.697 111.292 2.405 25744 2039 1 8 . 1 1 25 25 THR CA C 25 61.941 61.941 61.637 0.304 25744 2040 1 8 . 1 1 25 25 THR CB C 25 69.171 69.171 68.103 1.068 25744 2041 1 8 . 1 1 25 25 THR H H 25 9.174 9.174 7.942 1.232 25744 2042 1 8 . 1 1 26 26 GLY N N 26 110.554 110.554 111.215 -0.661 25744 2043 1 8 . 1 1 26 26 GLY CA C 26 45.822 45.822 45.389 0.433 25744 2044 1 8 . 1 1 26 26 GLY H H 26 8.381 8.381 8.470 -0.089 25744 2045 1 8 . 1 1 27 27 ASN N N 27 118.272 118.272 119.526 -1.254 25744 2046 1 8 . 1 1 27 27 ASN CA C 27 51.985 51.985 52.160 -0.175 25744 2047 1 8 . 1 1 27 27 ASN CB C 27 37.436 37.436 38.027 -0.591 25744 2048 1 8 . 1 1 27 27 ASN H H 27 7.718 7.718 8.087 -0.369 25744 2049 1 8 . 1 1 28 28 GLY N N 28 108.669 108.669 107.877 0.792 25744 2050 1 8 . 1 1 28 28 GLY CA C 28 45.348 45.348 45.959 -0.611 25744 2051 1 8 . 1 1 28 28 GLY H H 28 8.287 8.287 7.395 0.892 25744 2052 1 8 . 1 1 29 29 LYS N N 29 116.881 116.881 117.885 -1.004 25744 2053 1 8 . 1 1 29 29 LYS CA C 29 54.119 54.119 54.745 -0.626 25744 2054 1 8 . 1 1 29 29 LYS CB C 29 35.184 35.184 35.770 -0.586 25744 2055 1 8 . 1 1 29 29 LYS H H 29 7.256 7.256 7.329 -0.073 25744 2056 1 8 . 1 1 30 30 TYR N N 30 115.548 115.548 118.510 -2.962 25744 2057 1 8 . 1 1 30 30 TYR CA C 30 58.148 58.148 57.614 0.534 25744 2058 1 8 . 1 1 30 30 TYR CB C 30 44.163 44.163 42.172 1.991 25744 2059 1 8 . 1 1 30 30 TYR H H 30 8.421 8.421 8.390 0.031 25744 2060 1 8 . 1 1 31 31 GLY N N 31 110.774 110.774 109.548 1.226 25744 2061 1 8 . 1 1 31 31 GLY CA C 31 44.767 44.767 46.036 -1.269 25744 2062 1 8 . 1 1 31 31 GLY H H 31 9.969 9.969 9.100 0.869 25744 2063 1 8 . 1 1 32 32 GLY N N 32 109.262 109.262 106.192 3.070 25744 2064 1 8 . 1 1 32 32 GLY CA C 32 46.193 46.193 45.521 0.672 25744 2065 1 8 . 1 1 32 32 GLY H H 32 9.008 9.008 7.908 1.100 25744 2066 1 8 . 1 1 33 33 LEU N N 33 115.269 115.269 119.487 -4.218 25744 2067 1 8 . 1 1 33 33 LEU CA C 33 52.815 52.815 53.733 -0.918 25744 2068 1 8 . 1 1 33 33 LEU CB C 33 41.556 41.556 42.221 -0.665 25744 2069 1 8 . 1 1 33 33 LEU H H 33 7.843 7.843 7.544 0.299 25744 2070 1 8 . 1 1 34 34 GLN N N 34 112.176 112.176 114.318 -2.142 25744 2071 1 8 . 1 1 34 34 GLN CA C 34 55.304 55.304 56.794 -1.490 25744 2072 1 8 . 1 1 34 34 GLN CB C 34 27.333 27.333 26.410 0.923 25744 2073 1 8 . 1 1 34 34 GLN H H 34 7.321 7.321 7.981 -0.660 25744 2074 1 8 . 1 1 35 35 PHE N N 35 116.246 116.246 121.389 -5.143 25744 2075 1 8 . 1 1 35 35 PHE CA C 35 59.334 59.334 57.036 2.298 25744 2076 1 8 . 1 1 35 35 PHE CB C 35 41.793 41.793 39.455 2.338 25744 2077 1 8 . 1 1 35 35 PHE H H 35 7.708 7.708 8.117 -0.409 25744 2078 1 8 . 1 1 36 36 LYS N N 36 122.039 122.039 128.227 -6.188 25744 2079 1 8 . 1 1 36 36 LYS CA C 36 54.711 54.711 56.404 -1.694 25744 2080 1 8 . 1 1 36 36 LYS CB C 36 32.193 32.193 32.019 0.174 25744 2081 1 8 . 1 1 36 36 LYS H H 36 9.110 9.110 8.212 0.898 25744 2082 1 8 . 1 1 37 37 PRO CA C 37 66.626 66.626 65.427 1.199 25744 2083 1 8 . 1 1 37 37 PRO CB C 37 32.234 32.234 31.808 0.426 25744 2084 1 8 . 1 1 39 39 THR N N 39 115.976 115.976 114.657 1.319 25744 2085 1 8 . 1 1 39 39 THR CA C 39 65.971 65.971 65.766 0.205 25744 2086 1 8 . 1 1 39 39 THR CB C 39 69.550 69.550 68.397 1.153 25744 2087 1 8 . 1 1 39 39 THR H H 39 7.046 7.046 7.421 -0.375 25744 2088 1 8 . 1 1 40 40 TRP N N 40 120.053 120.053 123.575 -3.522 25744 2089 1 8 . 1 1 40 40 TRP CA C 40 60.163 60.163 59.740 0.423 25744 2090 1 8 . 1 1 40 40 TRP CB C 40 30.317 30.317 29.547 0.770 25744 2091 1 8 . 1 1 40 40 TRP H H 40 7.810 7.810 8.030 -0.220 25744 2092 1 8 . 1 1 41 41 ALA N N 41 117.049 117.049 121.955 -4.906 25744 2093 1 8 . 1 1 41 41 ALA CA C 41 54.119 54.119 54.990 -0.871 25744 2094 1 8 . 1 1 41 41 ALA CB C 41 18.800 18.800 17.755 1.045 25744 2095 1 8 . 1 1 41 41 ALA H H 41 8.117 8.117 8.686 -0.569 25744 2096 1 8 . 1 1 42 42 ALA N N 42 120.416 120.416 122.064 -1.648 25744 2097 1 8 . 1 1 42 42 ALA CA C 42 53.408 53.408 54.562 -1.153 25744 2098 1 8 . 1 1 42 42 ALA CB C 42 18.020 18.020 18.619 -0.598 25744 2099 1 8 . 1 1 42 42 ALA H H 42 7.678 7.678 7.855 -0.177 25744 2100 1 8 . 1 1 43 43 PHE N N 43 113.805 113.805 116.183 -2.378 25744 2101 1 8 . 1 1 43 43 PHE CA C 43 57.911 57.911 56.746 1.165 25744 2102 1 8 . 1 1 43 43 PHE CB C 43 38.711 38.711 38.504 0.207 25744 2103 1 8 . 1 1 43 43 PHE H H 43 7.044 7.044 7.479 -0.435 25744 2104 1 8 . 1 1 44 44 GLY N N 44 104.034 104.034 107.314 -3.280 25744 2105 1 8 . 1 1 44 44 GLY CA C 44 45.963 45.963 44.821 1.142 25744 2106 1 8 . 1 1 44 44 GLY H H 44 7.099 7.099 8.159 -1.060 25744 2107 1 8 . 1 1 45 45 GLY N N 45 110.240 110.240 108.148 2.092 25744 2108 1 8 . 1 1 45 45 GLY CA C 45 44.622 44.622 45.708 -1.086 25744 2109 1 8 . 1 1 45 45 GLY H H 45 8.015 8.015 8.247 -0.232 25744 2110 1 8 . 1 1 46 46 VAL N N 46 122.532 122.532 119.727 2.805 25744 2111 1 8 . 1 1 46 46 VAL CA C 46 60.910 60.910 62.044 -1.134 25744 2112 1 8 . 1 1 46 46 VAL CB C 46 34.444 34.444 32.919 1.525 25744 2113 1 8 . 1 1 46 46 VAL H H 46 7.854 7.854 7.636 0.218 25744 2114 1 8 . 1 1 47 47 GLY N N 47 114.605 114.605 114.462 0.143 25744 2115 1 8 . 1 1 47 47 GLY CA C 47 45.230 45.230 45.484 -0.254 25744 2116 1 8 . 1 1 48 48 ASN N N 48 121.458 121.458 120.739 0.719 25744 2117 1 8 . 1 1 48 48 ASN CA C 48 57.494 57.494 57.425 0.069 25744 2118 1 8 . 1 1 48 48 ASN CB C 48 31.011 31.011 37.294 -6.283 25744 2119 1 8 . 1 1 48 48 ASN H H 48 8.500 8.500 8.495 0.005 25744 2120 1 8 . 1 1 49 49 PRO CA C 49 64.978 64.978 64.505 0.473 25744 2121 1 8 . 1 1 49 49 PRO CB C 49 30.885 30.885 30.708 0.177 25744 2122 1 8 . 1 1 50 50 ALA N N 50 110.593 110.593 120.527 -9.934 25744 2123 1 8 . 1 1 50 50 ALA CA C 50 53.171 53.171 53.844 -0.673 25744 2124 1 8 . 1 1 50 50 ALA CB C 50 18.404 18.404 18.501 -0.097 25744 2125 1 8 . 1 1 50 50 ALA H H 50 7.787 7.787 7.014 0.773 25744 2126 1 8 . 1 1 51 51 ALA N N 51 118.962 118.962 119.950 -0.988 25744 2127 1 8 . 1 1 51 51 ALA CA C 51 51.037 51.037 51.762 -0.725 25744 2128 1 8 . 1 1 51 51 ALA CB C 51 19.507 19.507 19.880 -0.373 25744 2129 1 8 . 1 1 51 51 ALA H H 51 7.436 7.436 7.949 -0.513 25744 2130 1 8 . 1 1 52 52 ALA N N 52 122.852 122.852 121.788 1.064 25744 2131 1 8 . 1 1 52 52 ALA CA C 52 50.682 50.682 50.529 0.153 25744 2132 1 8 . 1 1 52 52 ALA CB C 52 20.654 20.654 19.689 0.965 25744 2133 1 8 . 1 1 52 52 ALA H H 52 7.080 7.080 7.353 -0.273 25744 2134 1 8 . 1 1 53 53 SER N N 53 119.459 119.459 119.238 0.221 25744 2135 1 8 . 1 1 53 53 SER CA C 53 57.437 57.437 57.496 -0.059 25744 2136 1 8 . 1 1 53 53 SER CB C 53 64.914 64.914 63.918 0.996 25744 2137 1 8 . 1 1 53 53 SER H H 53 8.916 8.916 8.536 0.380 25744 2138 1 8 . 1 1 54 54 ARG N N 54 122.357 122.357 124.537 -2.180 25744 2139 1 8 . 1 1 54 54 ARG CA C 54 59.334 59.334 59.771 -0.437 25744 2140 1 8 . 1 1 54 54 ARG CB C 54 29.111 29.111 29.559 -0.448 25744 2141 1 8 . 1 1 54 54 ARG H H 54 8.791 8.791 8.793 -0.002 25744 2142 1 8 . 1 1 55 55 GLU N N 55 114.989 114.989 118.006 -3.017 25744 2143 1 8 . 1 1 55 55 GLU CA C 55 61.348 61.348 59.288 2.060 25744 2144 1 8 . 1 1 55 55 GLU CB C 55 28.756 28.756 28.839 -0.083 25744 2145 1 8 . 1 1 55 55 GLU H H 55 8.214 8.214 8.310 -0.096 25744 2146 1 8 . 1 1 56 56 GLN N N 56 121.065 121.065 118.713 2.352 25744 2147 1 8 . 1 1 56 56 GLN CA C 56 58.504 58.504 58.993 -0.489 25744 2148 1 8 . 1 1 56 56 GLN CB C 56 29.704 29.704 27.992 1.712 25744 2149 1 8 . 1 1 56 56 GLN H H 56 7.975 7.975 7.590 0.385 25744 2150 1 8 . 1 1 57 57 GLN N N 57 120.192 120.192 119.133 1.059 25744 2151 1 8 . 1 1 57 57 GLN CA C 57 60.400 60.400 58.306 2.094 25744 2152 1 8 . 1 1 57 57 GLN CB C 57 30.178 30.178 28.671 1.507 25744 2153 1 8 . 1 1 57 57 GLN H H 57 8.492 8.492 8.230 0.262 25744 2154 1 8 . 1 1 58 58 ILE N N 58 120.157 120.157 117.480 2.677 25744 2155 1 8 . 1 1 58 58 ILE CA C 58 65.952 65.952 64.253 1.699 25744 2156 1 8 . 1 1 58 58 ILE CB C 58 37.747 37.747 36.425 1.322 25744 2157 1 8 . 1 1 58 58 ILE H H 58 8.347 8.347 7.793 0.554 25744 2158 1 8 . 1 1 59 59 ALA N N 59 121.345 121.345 122.099 -0.754 25744 2159 1 8 . 1 1 59 59 ALA CA C 59 55.304 55.304 55.398 -0.094 25744 2160 1 8 . 1 1 59 59 ALA CB C 59 17.970 17.970 17.818 0.152 25744 2161 1 8 . 1 1 59 59 ALA H H 59 7.657 7.657 8.028 -0.371 25744 2162 1 8 . 1 1 60 60 VAL N N 60 117.152 117.152 119.022 -1.870 25744 2163 1 8 . 1 1 60 60 VAL CA C 60 66.208 66.208 65.162 1.046 25744 2164 1 8 . 1 1 60 60 VAL CB C 60 31.481 31.481 30.356 1.125 25744 2165 1 8 . 1 1 60 60 VAL H H 60 7.144 7.144 7.575 -0.431 25744 2166 1 8 . 1 1 61 61 ALA N N 61 123.936 123.936 122.486 1.450 25744 2167 1 8 . 1 1 61 61 ALA CA C 61 56.371 56.371 55.597 0.774 25744 2168 1 8 . 1 1 61 61 ALA CB C 61 16.482 16.482 18.266 -1.784 25744 2169 1 8 . 1 1 61 61 ALA H H 61 8.225 8.225 8.734 -0.509 25744 2170 1 8 . 1 1 62 62 ASN N N 62 114.116 114.116 116.573 -2.457 25744 2171 1 8 . 1 1 62 62 ASN CA C 62 56.845 56.845 56.341 0.504 25744 2172 1 8 . 1 1 62 62 ASN CB C 62 38.356 38.356 38.702 -0.346 25744 2173 1 8 . 1 1 62 62 ASN H H 62 8.500 8.500 8.423 0.077 25744 2174 1 8 . 1 1 63 63 ARG N N 63 122.173 122.173 119.601 2.572 25744 2175 1 8 . 1 1 63 63 ARG CA C 63 59.926 59.926 58.594 1.332 25744 2176 1 8 . 1 1 63 63 ARG CB C 63 30.889 30.889 30.369 0.520 25744 2177 1 8 . 1 1 63 63 ARG H H 63 7.474 7.474 7.708 -0.234 25744 2178 1 8 . 1 1 64 64 VAL N N 64 121.659 121.659 121.595 0.064 25744 2179 1 8 . 1 1 64 64 VAL CA C 64 65.852 65.852 65.674 0.178 25744 2180 1 8 . 1 1 64 64 VAL CB C 64 31.718 31.718 31.498 0.220 25744 2181 1 8 . 1 1 64 64 VAL H H 64 8.107 8.107 8.609 -0.502 25744 2182 1 8 . 1 1 65 65 LEU N N 65 120.681 120.681 120.649 0.032 25744 2183 1 8 . 1 1 65 65 LEU CA C 65 57.556 57.556 59.072 -1.516 25744 2184 1 8 . 1 1 65 65 LEU CB C 65 43.333 43.333 40.842 2.491 25744 2185 1 8 . 1 1 65 65 LEU H H 65 8.948 8.948 8.407 0.541 25744 2186 1 8 . 1 1 66 66 ALA N N 66 118.509 118.509 121.316 -2.807 25744 2187 1 8 . 1 1 66 66 ALA CA C 66 54.830 54.830 54.836 -0.006 25744 2188 1 8 . 1 1 66 66 ALA CB C 66 19.155 19.155 18.136 1.019 25744 2189 1 8 . 1 1 66 66 ALA H H 66 7.390 7.390 7.931 -0.541 25744 2190 1 8 . 1 1 67 67 GLU N N 67 114.309 114.309 118.821 -4.512 25744 2191 1 8 . 1 1 67 67 GLU CA C 67 57.700 57.700 58.453 -0.753 25744 2192 1 8 . 1 1 67 67 GLU CB C 67 32.531 32.531 29.938 2.593 25744 2193 1 8 . 1 1 67 67 GLU H H 67 7.369 7.369 7.807 -0.438 25744 2194 1 8 . 1 1 68 68 GLN N N 68 116.281 116.281 116.302 -0.021 25744 2195 1 8 . 1 1 68 68 GLN CA C 68 55.778 55.778 55.811 -0.033 25744 2196 1 8 . 1 1 68 68 GLN CB C 68 30.889 30.889 31.756 -0.867 25744 2197 1 8 . 1 1 68 68 GLN H H 68 8.914 8.914 8.041 0.873 25744 2198 1 8 . 1 1 69 69 GLY N N 69 109.577 109.577 107.734 1.843 25744 2199 1 8 . 1 1 69 69 GLY CA C 69 45.941 45.941 44.628 1.313 25744 2200 1 8 . 1 1 69 69 GLY H H 69 8.134 8.134 7.920 0.214 25744 2201 1 8 . 1 1 70 70 LEU N N 70 121.331 121.331 118.407 2.924 25744 2202 1 8 . 1 1 70 70 LEU CA C 70 54.522 54.522 57.354 -2.832 25744 2203 1 8 . 1 1 70 70 LEU CB C 70 41.954 41.954 42.075 -0.121 25744 2204 1 8 . 1 1 70 70 LEU H H 70 8.519 8.519 8.591 -0.072 25744 2205 1 8 . 1 1 71 71 ASP N N 71 120.681 120.681 120.425 0.256 25744 2206 1 8 . 1 1 71 71 ASP CA C 71 57.082 57.082 56.380 0.702 25744 2207 1 8 . 1 1 71 71 ASP CB C 71 40.844 40.844 40.350 0.494 25744 2208 1 8 . 1 1 71 71 ASP H H 71 7.718 7.718 8.652 -0.934 25744 2209 1 8 . 1 1 72 72 ALA N N 72 119.110 119.110 122.315 -3.205 25744 2210 1 8 . 1 1 72 72 ALA CA C 72 53.289 53.289 53.804 -0.515 25744 2211 1 8 . 1 1 72 72 ALA CB C 72 15.885 15.885 18.948 -3.063 25744 2212 1 8 . 1 1 72 72 ALA H H 72 8.009 8.009 7.513 0.496 25744 2213 1 8 . 1 1 73 73 TRP N N 73 117.503 117.503 117.584 -0.081 25744 2214 1 8 . 1 1 73 73 TRP CA C 73 56.963 56.963 54.079 2.884 25744 2215 1 8 . 1 1 73 73 TRP CB C 73 28.163 28.163 29.830 -1.667 25744 2216 1 8 . 1 1 73 73 TRP H H 73 7.791 7.791 7.488 0.303 25744 2217 1 8 . 1 1 74 74 PRO CA C 74 65.586 65.586 63.315 2.271 25744 2218 1 8 . 1 1 74 74 PRO CB C 74 32.234 32.234 32.499 -0.265 25744 2219 1 8 . 1 1 75 75 THR N N 75 111.008 111.008 113.330 -2.322 25744 2220 1 8 . 1 1 75 75 THR CA C 75 63.482 63.482 64.277 -0.795 25744 2221 1 8 . 1 1 75 75 THR CB C 75 68.815 68.815 68.681 0.134 25744 2222 1 8 . 1 1 75 75 THR H H 75 8.197 8.197 8.476 -0.280 25744 2223 1 8 . 1 1 76 76 CYS N N 76 119.131 119.131 121.686 -2.555 25744 2224 1 8 . 1 1 76 76 CYS CA C 76 54.853 54.853 58.337 -3.484 25744 2225 1 8 . 1 1 76 76 CYS CB C 76 39.280 39.280 25.028 14.252 25744 2226 1 8 . 1 1 76 76 CYS H H 76 8.144 8.144 8.425 -0.281 25744 2227 1 8 . 1 1 77 77 GLY N N 77 110.834 110.834 109.761 1.073 25744 2228 1 8 . 1 1 77 77 GLY CA C 77 48.430 48.430 43.916 4.514 25744 2229 1 8 . 1 1 77 77 GLY H H 77 8.774 8.774 8.441 0.333 25744 2230 1 8 . 1 1 78 78 ALA N N 78 123.300 123.300 124.375 -1.075 25744 2231 1 8 . 1 1 78 78 ALA CA C 78 53.882 53.882 54.661 -0.779 25744 2232 1 8 . 1 1 78 78 ALA CB C 78 18.563 18.563 18.019 0.544 25744 2233 1 8 . 1 1 78 78 ALA H H 78 8.142 8.142 7.504 0.638 25744 2234 1 8 . 1 1 80 80 SER N N 80 111.423 111.423 111.496 -0.073 25744 2235 1 8 . 1 1 80 80 SER CA C 80 59.723 59.723 58.983 0.740 25744 2236 1 8 . 1 1 80 80 SER CB C 80 63.648 63.648 64.204 -0.555 25744 2237 1 8 . 1 1 80 80 SER H H 80 7.742 7.742 7.947 -0.205 25744 2238 1 8 . 1 1 81 81 GLY N N 81 111.317 111.317 109.591 1.726 25744 2239 1 8 . 1 1 81 81 GLY CA C 81 45.430 45.430 45.783 -0.353 25744 2240 1 8 . 1 1 81 81 GLY H H 81 7.562 7.562 7.493 0.069 25744 2241 1 9 . 1 1 4 4 GLY N N 4 110.205 110.205 111.151 -0.946 25744 2242 1 9 . 1 1 4 4 GLY CA C 4 44.519 44.519 44.931 -0.412 25744 2243 1 9 . 1 1 4 4 GLY H H 4 8.067 8.067 8.416 -0.349 25744 2244 1 9 . 1 1 5 5 PRO CA C 5 63.030 63.030 62.647 0.383 25744 2245 1 9 . 1 1 5 5 PRO CB C 5 32.458 32.458 32.254 0.204 25744 2246 1 9 . 1 1 6 6 SER N N 6 116.630 116.630 117.189 -0.559 25744 2247 1 9 . 1 1 6 6 SER CA C 6 56.015 56.015 57.449 -1.434 25744 2248 1 9 . 1 1 6 6 SER CB C 6 63.363 63.363 63.590 -0.227 25744 2249 1 9 . 1 1 6 6 SER H H 6 8.304 8.304 8.356 -0.052 25744 2250 1 9 . 1 1 7 7 PRO CA C 7 62.430 62.430 62.961 -0.531 25744 2251 1 9 . 1 1 7 7 PRO CB C 7 30.960 30.960 32.109 -1.149 25744 2252 1 9 . 1 1 8 8 ASN N N 8 120.122 120.122 123.566 -3.444 25744 2253 1 9 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.603 -1.803 25744 2254 1 9 . 1 1 8 8 ASN CB C 8 36.222 36.222 38.254 -2.032 25744 2255 1 9 . 1 1 8 8 ASN H H 8 8.667 8.667 8.647 0.020 25744 2256 1 9 . 1 1 9 9 TRP N N 9 123.684 123.684 124.703 -1.019 25744 2257 1 9 . 1 1 9 9 TRP CA C 9 59.215 59.215 61.822 -2.607 25744 2258 1 9 . 1 1 9 9 TRP CB C 9 30.780 30.780 29.831 0.949 25744 2259 1 9 . 1 1 9 9 TRP H H 9 7.691 7.691 7.896 -0.205 25744 2260 1 9 . 1 1 10 10 ASP N N 10 118.132 118.132 119.508 -1.376 25744 2261 1 9 . 1 1 10 10 ASP CA C 10 58.622 58.622 57.992 0.630 25744 2262 1 9 . 1 1 10 10 ASP CB C 10 40.844 40.844 40.492 0.352 25744 2263 1 9 . 1 1 10 10 ASP H H 10 8.320 8.320 8.675 -0.355 25744 2264 1 9 . 1 1 11 11 ALA N N 11 124.299 124.299 121.157 3.142 25744 2265 1 9 . 1 1 11 11 ALA CA C 11 54.593 54.593 54.798 -0.205 25744 2266 1 9 . 1 1 11 11 ALA CB C 11 18.681 18.681 18.297 0.384 25744 2267 1 9 . 1 1 11 11 ALA H H 11 7.395 7.395 8.283 -0.888 25744 2268 1 9 . 1 1 12 12 VAL N N 12 120.997 120.997 117.765 3.232 25744 2269 1 9 . 1 1 12 12 VAL CA C 12 66.682 66.682 66.088 0.594 25744 2270 1 9 . 1 1 12 12 VAL CB C 12 31.481 31.481 30.779 0.702 25744 2271 1 9 . 1 1 12 12 VAL H H 12 7.464 7.464 7.827 -0.363 25744 2272 1 9 . 1 1 13 13 ALA N N 13 121.205 121.205 121.564 -0.359 25744 2273 1 9 . 1 1 13 13 ALA CA C 13 54.711 54.711 55.285 -0.574 25744 2274 1 9 . 1 1 13 13 ALA CB C 13 18.918 18.918 18.041 0.876 25744 2275 1 9 . 1 1 13 13 ALA H H 13 8.523 8.523 8.245 0.278 25744 2276 1 9 . 1 1 14 14 GLN N N 14 120.926 120.926 115.997 4.929 25744 2277 1 9 . 1 1 14 14 GLN CA C 14 58.978 58.978 57.111 1.867 25744 2278 1 9 . 1 1 14 14 GLN CB C 14 27.689 27.689 28.661 -0.972 25744 2279 1 9 . 1 1 14 14 GLN H H 14 8.046 8.046 8.287 -0.241 25744 2280 1 9 . 1 1 15 15 CYS N N 15 118.916 118.916 117.512 1.404 25744 2281 1 9 . 1 1 15 15 CYS CA C 15 59.334 59.334 59.257 0.077 25744 2282 1 9 . 1 1 15 15 CYS CB C 15 35.748 35.748 28.377 7.371 25744 2283 1 9 . 1 1 15 15 CYS H H 15 7.108 7.108 7.840 -0.732 25744 2284 1 9 . 1 1 16 16 GLU N N 16 120.227 120.227 120.164 0.063 25744 2285 1 9 . 1 1 16 16 GLU CA C 16 58.978 58.978 58.166 0.812 25744 2286 1 9 . 1 1 16 16 GLU CB C 16 30.051 30.051 30.525 -0.474 25744 2287 1 9 . 1 1 16 16 GLU H H 16 8.776 8.776 8.080 0.696 25744 2288 1 9 . 1 1 17 17 SER N N 17 109.577 109.577 113.678 -4.101 25744 2289 1 9 . 1 1 17 17 SER CA C 17 57.771 57.771 59.084 -1.313 25744 2290 1 9 . 1 1 17 17 SER CB C 17 66.563 66.563 63.983 2.580 25744 2291 1 9 . 1 1 17 17 SER H H 17 8.467 8.467 8.293 0.174 25744 2292 1 9 . 1 1 18 18 GLY N N 18 113.669 113.669 109.110 4.559 25744 2293 1 9 . 1 1 18 18 GLY CA C 18 46.652 46.652 45.754 0.898 25744 2294 1 9 . 1 1 18 18 GLY H H 18 7.598 7.598 7.800 -0.202 25744 2295 1 9 . 1 1 19 19 GLY N N 19 106.884 106.884 107.988 -1.104 25744 2296 1 9 . 1 1 19 19 GLY CA C 19 45.467 45.467 45.032 0.435 25744 2297 1 9 . 1 1 19 19 GLY H H 19 7.476 7.476 7.608 -0.132 25744 2298 1 9 . 1 1 20 20 ASN N N 20 116.428 116.428 119.171 -2.743 25744 2299 1 9 . 1 1 20 20 ASN CA C 20 50.445 50.445 52.438 -1.992 25744 2300 1 9 . 1 1 20 20 ASN CB C 20 38.510 38.510 41.542 -3.032 25744 2301 1 9 . 1 1 20 20 ASN H H 20 6.580 6.580 8.093 -1.513 25744 2302 1 9 . 1 1 21 21 TRP N N 21 124.313 124.313 122.759 1.554 25744 2303 1 9 . 1 1 21 21 TRP CA C 21 60.400 60.400 60.817 -0.417 25744 2304 1 9 . 1 1 21 21 TRP CB C 21 27.689 27.689 29.575 -1.886 25744 2305 1 9 . 1 1 21 21 TRP H H 21 8.262 8.262 8.890 -0.628 25744 2306 1 9 . 1 1 22 22 ALA N N 22 120.192 120.192 119.430 0.762 25744 2307 1 9 . 1 1 22 22 ALA CA C 22 50.208 50.208 50.888 -0.680 25744 2308 1 9 . 1 1 22 22 ALA CB C 22 19.037 19.037 17.439 1.598 25744 2309 1 9 . 1 1 22 22 ALA H H 22 7.668 7.668 8.161 -0.493 25744 2310 1 9 . 1 1 23 23 ALA N N 23 121.314 121.314 122.627 -1.313 25744 2311 1 9 . 1 1 23 23 ALA CA C 23 54.711 54.711 51.436 3.275 25744 2312 1 9 . 1 1 23 23 ALA CB C 23 18.701 18.701 17.105 1.596 25744 2313 1 9 . 1 1 23 23 ALA H H 23 6.929 6.929 7.699 -0.770 25744 2314 1 9 . 1 1 24 24 ASN N N 24 119.494 119.494 119.426 0.068 25744 2315 1 9 . 1 1 24 24 ASN CA C 24 52.459 52.459 52.510 -0.051 25744 2316 1 9 . 1 1 24 24 ASN CB C 24 37.170 37.170 36.897 0.273 25744 2317 1 9 . 1 1 24 24 ASN H H 24 8.678 8.678 8.270 0.408 25744 2318 1 9 . 1 1 25 25 THR N N 25 113.697 113.697 111.141 2.556 25744 2319 1 9 . 1 1 25 25 THR CA C 25 61.941 61.941 61.289 0.652 25744 2320 1 9 . 1 1 25 25 THR CB C 25 69.171 69.171 66.579 2.592 25744 2321 1 9 . 1 1 25 25 THR H H 25 9.174 9.174 7.615 1.559 25744 2322 1 9 . 1 1 26 26 GLY N N 26 110.554 110.554 110.894 -0.340 25744 2323 1 9 . 1 1 26 26 GLY CA C 26 45.822 45.822 45.309 0.513 25744 2324 1 9 . 1 1 26 26 GLY H H 26 8.381 8.381 8.126 0.255 25744 2325 1 9 . 1 1 27 27 ASN N N 27 118.272 118.272 118.202 0.070 25744 2326 1 9 . 1 1 27 27 ASN CA C 27 51.985 51.985 51.969 0.016 25744 2327 1 9 . 1 1 27 27 ASN CB C 27 37.436 37.436 38.397 -0.961 25744 2328 1 9 . 1 1 27 27 ASN H H 27 7.718 7.718 8.225 -0.507 25744 2329 1 9 . 1 1 28 28 GLY N N 28 108.669 108.669 106.848 1.821 25744 2330 1 9 . 1 1 28 28 GLY CA C 28 45.348 45.348 46.048 -0.700 25744 2331 1 9 . 1 1 28 28 GLY H H 28 8.287 8.287 8.349 -0.062 25744 2332 1 9 . 1 1 29 29 LYS N N 29 116.881 116.881 118.048 -1.167 25744 2333 1 9 . 1 1 29 29 LYS CA C 29 54.119 54.119 54.426 -0.307 25744 2334 1 9 . 1 1 29 29 LYS CB C 29 35.184 35.184 35.281 -0.097 25744 2335 1 9 . 1 1 29 29 LYS H H 29 7.256 7.256 7.427 -0.171 25744 2336 1 9 . 1 1 30 30 TYR N N 30 115.548 115.548 117.899 -2.351 25744 2337 1 9 . 1 1 30 30 TYR CA C 30 58.148 58.148 57.573 0.575 25744 2338 1 9 . 1 1 30 30 TYR CB C 30 44.163 44.163 41.996 2.167 25744 2339 1 9 . 1 1 30 30 TYR H H 30 8.421 8.421 8.423 -0.002 25744 2340 1 9 . 1 1 31 31 GLY N N 31 110.774 110.774 109.167 1.607 25744 2341 1 9 . 1 1 31 31 GLY CA C 31 44.767 44.767 45.818 -1.050 25744 2342 1 9 . 1 1 31 31 GLY H H 31 9.969 9.969 8.578 1.391 25744 2343 1 9 . 1 1 32 32 GLY N N 32 109.262 109.262 106.899 2.363 25744 2344 1 9 . 1 1 32 32 GLY CA C 32 46.193 46.193 44.942 1.251 25744 2345 1 9 . 1 1 32 32 GLY H H 32 9.008 9.008 7.999 1.009 25744 2346 1 9 . 1 1 33 33 LEU N N 33 115.269 115.269 119.672 -4.403 25744 2347 1 9 . 1 1 33 33 LEU CA C 33 52.815 52.815 53.469 -0.655 25744 2348 1 9 . 1 1 33 33 LEU CB C 33 41.556 41.556 42.930 -1.374 25744 2349 1 9 . 1 1 33 33 LEU H H 33 7.843 7.843 7.131 0.712 25744 2350 1 9 . 1 1 34 34 GLN N N 34 112.176 112.176 118.045 -5.869 25744 2351 1 9 . 1 1 34 34 GLN CA C 34 55.304 55.304 56.606 -1.302 25744 2352 1 9 . 1 1 34 34 GLN CB C 34 27.333 27.333 27.684 -0.351 25744 2353 1 9 . 1 1 34 34 GLN H H 34 7.321 7.321 8.069 -0.748 25744 2354 1 9 . 1 1 35 35 PHE N N 35 116.246 116.246 120.599 -4.353 25744 2355 1 9 . 1 1 35 35 PHE CA C 35 59.334 59.334 56.783 2.551 25744 2356 1 9 . 1 1 35 35 PHE CB C 35 41.793 41.793 40.403 1.391 25744 2357 1 9 . 1 1 35 35 PHE H H 35 7.708 7.708 8.338 -0.630 25744 2358 1 9 . 1 1 36 36 LYS N N 36 122.039 122.039 127.972 -5.933 25744 2359 1 9 . 1 1 36 36 LYS CA C 36 54.711 54.711 56.813 -2.102 25744 2360 1 9 . 1 1 36 36 LYS CB C 36 32.193 32.193 31.854 0.339 25744 2361 1 9 . 1 1 36 36 LYS H H 36 9.110 9.110 8.449 0.661 25744 2362 1 9 . 1 1 37 37 PRO CA C 37 66.626 66.626 65.841 0.785 25744 2363 1 9 . 1 1 37 37 PRO CB C 37 32.234 32.234 31.876 0.358 25744 2364 1 9 . 1 1 39 39 THR N N 39 115.976 115.976 114.099 1.877 25744 2365 1 9 . 1 1 39 39 THR CA C 39 65.971 65.971 64.903 1.068 25744 2366 1 9 . 1 1 39 39 THR CB C 39 69.550 69.550 68.386 1.164 25744 2367 1 9 . 1 1 39 39 THR H H 39 7.046 7.046 7.864 -0.818 25744 2368 1 9 . 1 1 40 40 TRP N N 40 120.053 120.053 123.982 -3.929 25744 2369 1 9 . 1 1 40 40 TRP CA C 40 60.163 60.163 59.846 0.317 25744 2370 1 9 . 1 1 40 40 TRP CB C 40 30.317 30.317 29.636 0.681 25744 2371 1 9 . 1 1 40 40 TRP H H 40 7.810 7.810 8.747 -0.937 25744 2372 1 9 . 1 1 41 41 ALA N N 41 117.049 117.049 121.941 -4.892 25744 2373 1 9 . 1 1 41 41 ALA CA C 41 54.119 54.119 55.037 -0.918 25744 2374 1 9 . 1 1 41 41 ALA CB C 41 18.800 18.800 17.784 1.016 25744 2375 1 9 . 1 1 41 41 ALA H H 41 8.117 8.117 8.581 -0.464 25744 2376 1 9 . 1 1 42 42 ALA N N 42 120.416 120.416 121.969 -1.553 25744 2377 1 9 . 1 1 42 42 ALA CA C 42 53.408 53.408 54.608 -1.200 25744 2378 1 9 . 1 1 42 42 ALA CB C 42 18.020 18.020 18.764 -0.744 25744 2379 1 9 . 1 1 42 42 ALA H H 42 7.678 7.678 7.969 -0.291 25744 2380 1 9 . 1 1 43 43 PHE N N 43 113.805 113.805 116.506 -2.701 25744 2381 1 9 . 1 1 43 43 PHE CA C 43 57.911 57.911 57.400 0.511 25744 2382 1 9 . 1 1 43 43 PHE CB C 43 38.711 38.711 38.913 -0.202 25744 2383 1 9 . 1 1 43 43 PHE H H 43 7.044 7.044 7.584 -0.540 25744 2384 1 9 . 1 1 44 44 GLY N N 44 104.034 104.034 107.195 -3.161 25744 2385 1 9 . 1 1 44 44 GLY CA C 44 45.963 45.963 44.779 1.184 25744 2386 1 9 . 1 1 44 44 GLY H H 44 7.099 7.099 8.130 -1.031 25744 2387 1 9 . 1 1 45 45 GLY N N 45 110.240 110.240 107.934 2.306 25744 2388 1 9 . 1 1 45 45 GLY CA C 45 44.622 44.622 45.668 -1.046 25744 2389 1 9 . 1 1 45 45 GLY H H 45 8.015 8.015 8.150 -0.135 25744 2390 1 9 . 1 1 46 46 VAL N N 46 122.532 122.532 120.601 1.931 25744 2391 1 9 . 1 1 46 46 VAL CA C 46 60.910 60.910 62.356 -1.446 25744 2392 1 9 . 1 1 46 46 VAL CB C 46 34.444 34.444 32.638 1.806 25744 2393 1 9 . 1 1 46 46 VAL H H 46 7.854 7.854 7.859 -0.005 25744 2394 1 9 . 1 1 47 47 GLY N N 47 114.605 114.605 114.664 -0.059 25744 2395 1 9 . 1 1 47 47 GLY CA C 47 45.230 45.230 45.736 -0.506 25744 2396 1 9 . 1 1 48 48 ASN N N 48 121.458 121.458 120.979 0.479 25744 2397 1 9 . 1 1 48 48 ASN CA C 48 57.494 57.494 57.720 -0.226 25744 2398 1 9 . 1 1 48 48 ASN CB C 48 31.011 31.011 37.274 -6.263 25744 2399 1 9 . 1 1 48 48 ASN H H 48 8.500 8.500 8.516 -0.016 25744 2400 1 9 . 1 1 49 49 PRO CA C 49 64.978 64.978 65.057 -0.079 25744 2401 1 9 . 1 1 49 49 PRO CB C 49 30.885 30.885 30.631 0.254 25744 2402 1 9 . 1 1 50 50 ALA N N 50 110.593 110.593 120.502 -9.909 25744 2403 1 9 . 1 1 50 50 ALA CA C 50 53.171 53.171 54.114 -0.943 25744 2404 1 9 . 1 1 50 50 ALA CB C 50 18.404 18.404 18.317 0.087 25744 2405 1 9 . 1 1 50 50 ALA H H 50 7.787 7.787 7.123 0.664 25744 2406 1 9 . 1 1 51 51 ALA N N 51 118.962 118.962 120.454 -1.492 25744 2407 1 9 . 1 1 51 51 ALA CA C 51 51.037 51.037 52.154 -1.117 25744 2408 1 9 . 1 1 51 51 ALA CB C 51 19.507 19.507 20.464 -0.957 25744 2409 1 9 . 1 1 51 51 ALA H H 51 7.436 7.436 7.769 -0.333 25744 2410 1 9 . 1 1 52 52 ALA N N 52 122.852 122.852 122.865 -0.013 25744 2411 1 9 . 1 1 52 52 ALA CA C 52 50.682 50.682 52.178 -1.496 25744 2412 1 9 . 1 1 52 52 ALA CB C 52 20.654 20.654 18.550 2.104 25744 2413 1 9 . 1 1 52 52 ALA H H 52 7.080 7.080 8.030 -0.950 25744 2414 1 9 . 1 1 53 53 SER N N 53 119.459 119.459 121.114 -1.655 25744 2415 1 9 . 1 1 53 53 SER CA C 53 57.437 57.437 58.254 -0.817 25744 2416 1 9 . 1 1 53 53 SER CB C 53 64.914 64.914 63.701 1.213 25744 2417 1 9 . 1 1 53 53 SER H H 53 8.916 8.916 8.499 0.417 25744 2418 1 9 . 1 1 54 54 ARG N N 54 122.357 122.357 123.732 -1.375 25744 2419 1 9 . 1 1 54 54 ARG CA C 54 59.334 59.334 59.482 -0.148 25744 2420 1 9 . 1 1 54 54 ARG CB C 54 29.111 29.111 29.102 0.009 25744 2421 1 9 . 1 1 54 54 ARG H H 54 8.791 8.791 8.524 0.267 25744 2422 1 9 . 1 1 55 55 GLU N N 55 114.989 114.989 117.008 -2.019 25744 2423 1 9 . 1 1 55 55 GLU CA C 55 61.348 61.348 59.187 2.161 25744 2424 1 9 . 1 1 55 55 GLU CB C 55 28.756 28.756 28.941 -0.185 25744 2425 1 9 . 1 1 55 55 GLU H H 55 8.214 8.214 8.322 -0.108 25744 2426 1 9 . 1 1 56 56 GLN N N 56 121.065 121.065 119.233 1.832 25744 2427 1 9 . 1 1 56 56 GLN CA C 56 58.504 58.504 58.428 0.076 25744 2428 1 9 . 1 1 56 56 GLN CB C 56 29.704 29.704 28.306 1.398 25744 2429 1 9 . 1 1 56 56 GLN H H 56 7.975 7.975 7.540 0.435 25744 2430 1 9 . 1 1 57 57 GLN N N 57 120.192 120.192 119.705 0.487 25744 2431 1 9 . 1 1 57 57 GLN CA C 57 60.400 60.400 58.373 2.027 25744 2432 1 9 . 1 1 57 57 GLN CB C 57 30.178 30.178 28.704 1.474 25744 2433 1 9 . 1 1 57 57 GLN H H 57 8.492 8.492 8.345 0.147 25744 2434 1 9 . 1 1 58 58 ILE N N 58 120.157 120.157 117.063 3.094 25744 2435 1 9 . 1 1 58 58 ILE CA C 58 65.952 65.952 64.219 1.733 25744 2436 1 9 . 1 1 58 58 ILE CB C 58 37.747 37.747 36.325 1.422 25744 2437 1 9 . 1 1 58 58 ILE H H 58 8.347 8.347 8.092 0.255 25744 2438 1 9 . 1 1 59 59 ALA N N 59 121.345 121.345 122.287 -0.942 25744 2439 1 9 . 1 1 59 59 ALA CA C 59 55.304 55.304 55.395 -0.091 25744 2440 1 9 . 1 1 59 59 ALA CB C 59 17.970 17.970 17.880 0.090 25744 2441 1 9 . 1 1 59 59 ALA H H 59 7.657 7.657 7.794 -0.137 25744 2442 1 9 . 1 1 60 60 VAL N N 60 117.152 117.152 119.005 -1.853 25744 2443 1 9 . 1 1 60 60 VAL CA C 60 66.208 66.208 65.213 0.995 25744 2444 1 9 . 1 1 60 60 VAL CB C 60 31.481 31.481 30.348 1.133 25744 2445 1 9 . 1 1 60 60 VAL H H 60 7.144 7.144 7.558 -0.414 25744 2446 1 9 . 1 1 61 61 ALA N N 61 123.936 123.936 122.080 1.856 25744 2447 1 9 . 1 1 61 61 ALA CA C 61 56.371 56.371 55.431 0.940 25744 2448 1 9 . 1 1 61 61 ALA CB C 61 16.482 16.482 18.262 -1.780 25744 2449 1 9 . 1 1 61 61 ALA H H 61 8.225 8.225 8.713 -0.488 25744 2450 1 9 . 1 1 62 62 ASN N N 62 114.116 114.116 116.230 -2.114 25744 2451 1 9 . 1 1 62 62 ASN CA C 62 56.845 56.845 56.121 0.724 25744 2452 1 9 . 1 1 62 62 ASN CB C 62 38.356 38.356 38.374 -0.019 25744 2453 1 9 . 1 1 62 62 ASN H H 62 8.500 8.500 8.558 -0.058 25744 2454 1 9 . 1 1 63 63 ARG N N 63 122.173 122.173 119.767 2.406 25744 2455 1 9 . 1 1 63 63 ARG CA C 63 59.926 59.926 58.470 1.456 25744 2456 1 9 . 1 1 63 63 ARG CB C 63 30.889 30.889 30.418 0.471 25744 2457 1 9 . 1 1 63 63 ARG H H 63 7.474 7.474 7.538 -0.064 25744 2458 1 9 . 1 1 64 64 VAL N N 64 121.659 121.659 121.407 0.252 25744 2459 1 9 . 1 1 64 64 VAL CA C 64 65.852 65.852 65.993 -0.141 25744 2460 1 9 . 1 1 64 64 VAL CB C 64 31.718 31.718 31.174 0.544 25744 2461 1 9 . 1 1 64 64 VAL H H 64 8.107 8.107 8.388 -0.281 25744 2462 1 9 . 1 1 65 65 LEU N N 65 120.681 120.681 119.581 1.100 25744 2463 1 9 . 1 1 65 65 LEU CA C 65 57.556 57.556 58.950 -1.394 25744 2464 1 9 . 1 1 65 65 LEU CB C 65 43.333 43.333 40.702 2.631 25744 2465 1 9 . 1 1 65 65 LEU H H 65 8.948 8.948 8.416 0.532 25744 2466 1 9 . 1 1 66 66 ALA N N 66 118.509 118.509 121.619 -3.110 25744 2467 1 9 . 1 1 66 66 ALA CA C 66 54.830 54.830 54.601 0.229 25744 2468 1 9 . 1 1 66 66 ALA CB C 66 19.155 19.155 18.259 0.896 25744 2469 1 9 . 1 1 66 66 ALA H H 66 7.390 7.390 7.803 -0.413 25744 2470 1 9 . 1 1 67 67 GLU N N 67 114.309 114.309 119.367 -5.058 25744 2471 1 9 . 1 1 67 67 GLU CA C 67 57.700 57.700 58.380 -0.680 25744 2472 1 9 . 1 1 67 67 GLU CB C 67 32.531 32.531 30.146 2.385 25744 2473 1 9 . 1 1 67 67 GLU H H 67 7.369 7.369 7.886 -0.517 25744 2474 1 9 . 1 1 68 68 GLN N N 68 116.281 116.281 117.746 -1.465 25744 2475 1 9 . 1 1 68 68 GLN CA C 68 55.778 55.778 55.521 0.257 25744 2476 1 9 . 1 1 68 68 GLN CB C 68 30.889 30.889 30.073 0.816 25744 2477 1 9 . 1 1 68 68 GLN H H 68 8.914 8.914 8.300 0.614 25744 2478 1 9 . 1 1 69 69 GLY N N 69 109.577 109.577 107.580 1.997 25744 2479 1 9 . 1 1 69 69 GLY CA C 69 45.941 45.941 44.582 1.359 25744 2480 1 9 . 1 1 69 69 GLY H H 69 8.134 8.134 7.831 0.303 25744 2481 1 9 . 1 1 70 70 LEU N N 70 121.331 121.331 116.697 4.634 25744 2482 1 9 . 1 1 70 70 LEU CA C 70 54.522 54.522 55.776 -1.254 25744 2483 1 9 . 1 1 70 70 LEU CB C 70 41.954 41.954 41.547 0.407 25744 2484 1 9 . 1 1 70 70 LEU H H 70 8.519 8.519 8.385 0.134 25744 2485 1 9 . 1 1 71 71 ASP N N 71 120.681 120.681 120.799 -0.118 25744 2486 1 9 . 1 1 71 71 ASP CA C 71 57.082 57.082 56.108 0.974 25744 2487 1 9 . 1 1 71 71 ASP CB C 71 40.844 40.844 40.873 -0.029 25744 2488 1 9 . 1 1 71 71 ASP H H 71 7.718 7.718 8.345 -0.627 25744 2489 1 9 . 1 1 72 72 ALA N N 72 119.110 119.110 120.372 -1.262 25744 2490 1 9 . 1 1 72 72 ALA CA C 72 53.289 53.289 53.255 0.035 25744 2491 1 9 . 1 1 72 72 ALA CB C 72 15.885 15.885 18.458 -2.573 25744 2492 1 9 . 1 1 72 72 ALA H H 72 8.009 8.009 7.867 0.142 25744 2493 1 9 . 1 1 73 73 TRP N N 73 117.503 117.503 117.090 0.413 25744 2494 1 9 . 1 1 73 73 TRP CA C 73 56.963 56.963 54.640 2.323 25744 2495 1 9 . 1 1 73 73 TRP CB C 73 28.163 28.163 29.597 -1.434 25744 2496 1 9 . 1 1 73 73 TRP H H 73 7.791 7.791 7.413 0.378 25744 2497 1 9 . 1 1 74 74 PRO CA C 74 65.586 65.586 64.624 0.963 25744 2498 1 9 . 1 1 74 74 PRO CB C 74 32.234 32.234 31.949 0.285 25744 2499 1 9 . 1 1 75 75 THR N N 75 111.008 111.008 112.954 -1.946 25744 2500 1 9 . 1 1 75 75 THR CA C 75 63.482 63.482 64.042 -0.560 25744 2501 1 9 . 1 1 75 75 THR CB C 75 68.815 68.815 68.876 -0.061 25744 2502 1 9 . 1 1 75 75 THR H H 75 8.197 8.197 8.615 -0.418 25744 2503 1 9 . 1 1 76 76 CYS N N 76 119.131 119.131 118.327 0.804 25744 2504 1 9 . 1 1 76 76 CYS CA C 76 54.853 54.853 58.038 -3.185 25744 2505 1 9 . 1 1 76 76 CYS CB C 76 39.280 39.280 29.915 9.365 25744 2506 1 9 . 1 1 76 76 CYS H H 76 8.144 8.144 7.994 0.150 25744 2507 1 9 . 1 1 77 77 GLY N N 77 110.834 110.834 108.972 1.862 25744 2508 1 9 . 1 1 77 77 GLY CA C 77 48.430 48.430 45.073 3.357 25744 2509 1 9 . 1 1 77 77 GLY H H 77 8.774 8.774 8.137 0.637 25744 2510 1 9 . 1 1 78 78 ALA N N 78 123.300 123.300 126.849 -3.549 25744 2511 1 9 . 1 1 78 78 ALA CA C 78 53.882 53.882 53.638 0.244 25744 2512 1 9 . 1 1 78 78 ALA CB C 78 18.563 18.563 16.550 2.013 25744 2513 1 9 . 1 1 78 78 ALA H H 78 8.142 8.142 7.885 0.257 25744 2514 1 9 . 1 1 80 80 SER N N 80 111.423 111.423 111.582 -0.159 25744 2515 1 9 . 1 1 80 80 SER CA C 80 59.723 59.723 58.697 1.026 25744 2516 1 9 . 1 1 80 80 SER CB C 80 63.648 63.648 65.413 -1.765 25744 2517 1 9 . 1 1 80 80 SER H H 80 7.742 7.742 7.809 -0.067 25744 2518 1 9 . 1 1 81 81 GLY N N 81 111.317 111.317 112.419 -1.102 25744 2519 1 9 . 1 1 81 81 GLY CA C 81 45.430 45.430 45.342 0.088 25744 2520 1 9 . 1 1 81 81 GLY H H 81 7.562 7.562 8.108 -0.546 25744 2521 1 10 . 1 1 4 4 GLY N N 4 110.205 110.205 110.248 -0.043 25744 2522 1 10 . 1 1 4 4 GLY CA C 4 44.519 44.519 44.444 0.075 25744 2523 1 10 . 1 1 4 4 GLY H H 4 8.067 8.067 8.415 -0.348 25744 2524 1 10 . 1 1 5 5 PRO CA C 5 63.030 63.030 62.558 0.472 25744 2525 1 10 . 1 1 5 5 PRO CB C 5 32.458 32.458 32.716 -0.258 25744 2526 1 10 . 1 1 6 6 SER N N 6 116.630 116.630 118.376 -1.746 25744 2527 1 10 . 1 1 6 6 SER CA C 6 56.015 56.015 57.615 -1.600 25744 2528 1 10 . 1 1 6 6 SER CB C 6 63.363 63.363 63.327 0.036 25744 2529 1 10 . 1 1 6 6 SER H H 6 8.304 8.304 8.390 -0.086 25744 2530 1 10 . 1 1 7 7 PRO CA C 7 62.430 62.430 63.020 -0.590 25744 2531 1 10 . 1 1 7 7 PRO CB C 7 30.960 30.960 32.359 -1.399 25744 2532 1 10 . 1 1 8 8 ASN N N 8 120.122 120.122 119.744 0.378 25744 2533 1 10 . 1 1 8 8 ASN CA C 8 50.800 50.800 51.445 -0.645 25744 2534 1 10 . 1 1 8 8 ASN CB C 8 36.222 36.222 40.364 -4.142 25744 2535 1 10 . 1 1 8 8 ASN H H 8 8.667 8.667 8.456 0.211 25744 2536 1 10 . 1 1 9 9 TRP N N 9 123.684 123.684 121.827 1.857 25744 2537 1 10 . 1 1 9 9 TRP CA C 9 59.215 59.215 61.148 -1.933 25744 2538 1 10 . 1 1 9 9 TRP CB C 9 30.780 30.780 29.792 0.988 25744 2539 1 10 . 1 1 9 9 TRP H H 9 7.691 7.691 8.854 -1.163 25744 2540 1 10 . 1 1 10 10 ASP N N 10 118.132 118.132 116.527 1.605 25744 2541 1 10 . 1 1 10 10 ASP CA C 10 58.622 58.622 57.264 1.358 25744 2542 1 10 . 1 1 10 10 ASP CB C 10 40.844 40.844 39.783 1.061 25744 2543 1 10 . 1 1 10 10 ASP H H 10 8.320 8.320 8.844 -0.524 25744 2544 1 10 . 1 1 11 11 ALA N N 11 124.299 124.299 121.915 2.384 25744 2545 1 10 . 1 1 11 11 ALA CA C 11 54.593 54.593 54.686 -0.093 25744 2546 1 10 . 1 1 11 11 ALA CB C 11 18.681 18.681 18.771 -0.090 25744 2547 1 10 . 1 1 11 11 ALA H H 11 7.395 7.395 7.724 -0.329 25744 2548 1 10 . 1 1 12 12 VAL N N 12 120.997 120.997 118.507 2.490 25744 2549 1 10 . 1 1 12 12 VAL CA C 12 66.682 66.682 66.094 0.588 25744 2550 1 10 . 1 1 12 12 VAL CB C 12 31.481 31.481 30.267 1.214 25744 2551 1 10 . 1 1 12 12 VAL H H 12 7.464 7.464 8.029 -0.565 25744 2552 1 10 . 1 1 13 13 ALA N N 13 121.205 121.205 121.312 -0.107 25744 2553 1 10 . 1 1 13 13 ALA CA C 13 54.711 54.711 55.120 -0.409 25744 2554 1 10 . 1 1 13 13 ALA CB C 13 18.918 18.918 17.833 1.085 25744 2555 1 10 . 1 1 13 13 ALA H H 13 8.523 8.523 7.922 0.601 25744 2556 1 10 . 1 1 14 14 GLN N N 14 120.926 120.926 116.167 4.759 25744 2557 1 10 . 1 1 14 14 GLN CA C 14 58.978 58.978 57.207 1.771 25744 2558 1 10 . 1 1 14 14 GLN CB C 14 27.689 27.689 28.762 -1.073 25744 2559 1 10 . 1 1 14 14 GLN H H 14 8.046 8.046 7.970 0.076 25744 2560 1 10 . 1 1 15 15 CYS N N 15 118.916 118.916 117.717 1.199 25744 2561 1 10 . 1 1 15 15 CYS CA C 15 59.334 59.334 59.361 -0.027 25744 2562 1 10 . 1 1 15 15 CYS CB C 15 35.748 35.748 28.866 6.882 25744 2563 1 10 . 1 1 15 15 CYS H H 15 7.108 7.108 7.721 -0.613 25744 2564 1 10 . 1 1 16 16 GLU N N 16 120.227 120.227 119.092 1.135 25744 2565 1 10 . 1 1 16 16 GLU CA C 16 58.978 58.978 58.124 0.854 25744 2566 1 10 . 1 1 16 16 GLU CB C 16 30.051 30.051 30.893 -0.842 25744 2567 1 10 . 1 1 16 16 GLU H H 16 8.776 8.776 8.092 0.684 25744 2568 1 10 . 1 1 17 17 SER N N 17 109.577 109.577 113.873 -4.296 25744 2569 1 10 . 1 1 17 17 SER CA C 17 57.771 57.771 58.549 -0.778 25744 2570 1 10 . 1 1 17 17 SER CB C 17 66.563 66.563 64.332 2.231 25744 2571 1 10 . 1 1 17 17 SER H H 17 8.467 8.467 8.288 0.179 25744 2572 1 10 . 1 1 18 18 GLY N N 18 113.669 113.669 109.814 3.855 25744 2573 1 10 . 1 1 18 18 GLY CA C 18 46.652 46.652 45.998 0.654 25744 2574 1 10 . 1 1 18 18 GLY H H 18 7.598 7.598 7.858 -0.260 25744 2575 1 10 . 1 1 19 19 GLY N N 19 106.884 106.884 107.959 -1.075 25744 2576 1 10 . 1 1 19 19 GLY CA C 19 45.467 45.467 45.329 0.138 25744 2577 1 10 . 1 1 19 19 GLY H H 19 7.476 7.476 8.158 -0.682 25744 2578 1 10 . 1 1 20 20 ASN N N 20 116.428 116.428 120.246 -3.818 25744 2579 1 10 . 1 1 20 20 ASN CA C 20 50.445 50.445 52.266 -1.821 25744 2580 1 10 . 1 1 20 20 ASN CB C 20 38.510 38.510 40.862 -2.352 25744 2581 1 10 . 1 1 20 20 ASN H H 20 6.580 6.580 8.042 -1.462 25744 2582 1 10 . 1 1 21 21 TRP N N 21 124.313 124.313 124.786 -0.473 25744 2583 1 10 . 1 1 21 21 TRP CA C 21 60.400 60.400 62.248 -1.848 25744 2584 1 10 . 1 1 21 21 TRP CB C 21 27.689 27.689 29.326 -1.637 25744 2585 1 10 . 1 1 21 21 TRP H H 21 8.262 8.262 9.012 -0.750 25744 2586 1 10 . 1 1 22 22 ALA N N 22 120.192 120.192 121.371 -1.179 25744 2587 1 10 . 1 1 22 22 ALA CA C 22 50.208 50.208 53.376 -3.168 25744 2588 1 10 . 1 1 22 22 ALA CB C 22 19.037 19.037 17.831 1.206 25744 2589 1 10 . 1 1 22 22 ALA H H 22 7.668 7.668 8.174 -0.506 25744 2590 1 10 . 1 1 23 23 ALA N N 23 121.314 121.314 120.675 0.639 25744 2591 1 10 . 1 1 23 23 ALA CA C 23 54.711 54.711 52.141 2.570 25744 2592 1 10 . 1 1 23 23 ALA CB C 23 18.701 18.701 17.552 1.149 25744 2593 1 10 . 1 1 23 23 ALA H H 23 6.929 6.929 7.965 -1.036 25744 2594 1 10 . 1 1 24 24 ASN N N 24 119.494 119.494 119.759 -0.265 25744 2595 1 10 . 1 1 24 24 ASN CA C 24 52.459 52.459 53.740 -1.281 25744 2596 1 10 . 1 1 24 24 ASN CB C 24 37.170 37.170 37.299 -0.129 25744 2597 1 10 . 1 1 24 24 ASN H H 24 8.678 8.678 8.827 -0.149 25744 2598 1 10 . 1 1 25 25 THR N N 25 113.697 113.697 110.044 3.653 25744 2599 1 10 . 1 1 25 25 THR CA C 25 61.941 61.941 62.106 -0.165 25744 2600 1 10 . 1 1 25 25 THR CB C 25 69.171 69.171 69.834 -0.663 25744 2601 1 10 . 1 1 25 25 THR H H 25 9.174 9.174 8.397 0.777 25744 2602 1 10 . 1 1 26 26 GLY N N 26 110.554 110.554 112.831 -2.277 25744 2603 1 10 . 1 1 26 26 GLY CA C 26 45.822 45.822 45.164 0.658 25744 2604 1 10 . 1 1 26 26 GLY H H 26 8.381 8.381 8.429 -0.048 25744 2605 1 10 . 1 1 27 27 ASN N N 27 118.272 118.272 119.862 -1.590 25744 2606 1 10 . 1 1 27 27 ASN CA C 27 51.985 51.985 51.697 0.288 25744 2607 1 10 . 1 1 27 27 ASN CB C 27 37.436 37.436 37.914 -0.478 25744 2608 1 10 . 1 1 27 27 ASN H H 27 7.718 7.718 8.024 -0.306 25744 2609 1 10 . 1 1 28 28 GLY N N 28 108.669 108.669 107.914 0.755 25744 2610 1 10 . 1 1 28 28 GLY CA C 28 45.348 45.348 45.889 -0.541 25744 2611 1 10 . 1 1 28 28 GLY H H 28 8.287 8.287 7.546 0.741 25744 2612 1 10 . 1 1 29 29 LYS N N 29 116.881 116.881 119.023 -2.142 25744 2613 1 10 . 1 1 29 29 LYS CA C 29 54.119 54.119 54.911 -0.792 25744 2614 1 10 . 1 1 29 29 LYS CB C 29 35.184 35.184 35.675 -0.491 25744 2615 1 10 . 1 1 29 29 LYS H H 29 7.256 7.256 7.611 -0.355 25744 2616 1 10 . 1 1 30 30 TYR N N 30 115.548 115.548 118.494 -2.946 25744 2617 1 10 . 1 1 30 30 TYR CA C 30 58.148 58.148 57.496 0.652 25744 2618 1 10 . 1 1 30 30 TYR CB C 30 44.163 44.163 42.241 1.922 25744 2619 1 10 . 1 1 30 30 TYR H H 30 8.421 8.421 8.454 -0.033 25744 2620 1 10 . 1 1 31 31 GLY N N 31 110.774 110.774 111.837 -1.063 25744 2621 1 10 . 1 1 31 31 GLY CA C 31 44.767 44.767 45.917 -1.150 25744 2622 1 10 . 1 1 31 31 GLY H H 31 9.969 9.969 9.175 0.794 25744 2623 1 10 . 1 1 32 32 GLY N N 32 109.262 109.262 106.237 3.025 25744 2624 1 10 . 1 1 32 32 GLY CA C 32 46.193 46.193 45.432 0.761 25744 2625 1 10 . 1 1 32 32 GLY H H 32 9.008 9.008 8.365 0.643 25744 2626 1 10 . 1 1 33 33 LEU N N 33 115.269 115.269 119.203 -3.934 25744 2627 1 10 . 1 1 33 33 LEU CA C 33 52.815 52.815 53.596 -0.781 25744 2628 1 10 . 1 1 33 33 LEU CB C 33 41.556 41.556 42.816 -1.260 25744 2629 1 10 . 1 1 33 33 LEU H H 33 7.843 7.843 7.973 -0.130 25744 2630 1 10 . 1 1 34 34 GLN N N 34 112.176 112.176 117.967 -5.791 25744 2631 1 10 . 1 1 34 34 GLN CA C 34 55.304 55.304 56.749 -1.445 25744 2632 1 10 . 1 1 34 34 GLN CB C 34 27.333 27.333 27.735 -0.402 25744 2633 1 10 . 1 1 34 34 GLN H H 34 7.321 7.321 8.249 -0.928 25744 2634 1 10 . 1 1 35 35 PHE N N 35 116.246 116.246 119.642 -3.396 25744 2635 1 10 . 1 1 35 35 PHE CA C 35 59.334 59.334 57.763 1.571 25744 2636 1 10 . 1 1 35 35 PHE CB C 35 41.793 41.793 39.795 1.998 25744 2637 1 10 . 1 1 35 35 PHE H H 35 7.708 7.708 7.883 -0.175 25744 2638 1 10 . 1 1 36 36 LYS N N 36 122.039 122.039 128.479 -6.440 25744 2639 1 10 . 1 1 36 36 LYS CA C 36 54.711 54.711 56.170 -1.460 25744 2640 1 10 . 1 1 36 36 LYS CB C 36 32.193 32.193 32.221 -0.028 25744 2641 1 10 . 1 1 36 36 LYS H H 36 9.110 9.110 8.352 0.758 25744 2642 1 10 . 1 1 37 37 PRO CA C 37 66.626 66.626 65.773 0.853 25744 2643 1 10 . 1 1 37 37 PRO CB C 37 32.234 32.234 31.998 0.236 25744 2644 1 10 . 1 1 39 39 THR N N 39 115.976 115.976 114.169 1.807 25744 2645 1 10 . 1 1 39 39 THR CA C 39 65.971 65.971 65.427 0.545 25744 2646 1 10 . 1 1 39 39 THR CB C 39 69.550 69.550 68.602 0.948 25744 2647 1 10 . 1 1 39 39 THR H H 39 7.046 7.046 7.520 -0.474 25744 2648 1 10 . 1 1 40 40 TRP N N 40 120.053 120.053 123.904 -3.851 25744 2649 1 10 . 1 1 40 40 TRP CA C 40 60.163 60.163 59.729 0.434 25744 2650 1 10 . 1 1 40 40 TRP CB C 40 30.317 30.317 29.669 0.648 25744 2651 1 10 . 1 1 40 40 TRP H H 40 7.810 7.810 8.826 -1.016 25744 2652 1 10 . 1 1 41 41 ALA N N 41 117.049 117.049 122.028 -4.979 25744 2653 1 10 . 1 1 41 41 ALA CA C 41 54.119 54.119 55.001 -0.882 25744 2654 1 10 . 1 1 41 41 ALA CB C 41 18.800 18.800 17.751 1.049 25744 2655 1 10 . 1 1 41 41 ALA H H 41 8.117 8.117 8.410 -0.293 25744 2656 1 10 . 1 1 42 42 ALA N N 42 120.416 120.416 121.984 -1.568 25744 2657 1 10 . 1 1 42 42 ALA CA C 42 53.408 53.408 54.582 -1.174 25744 2658 1 10 . 1 1 42 42 ALA CB C 42 18.020 18.020 18.737 -0.717 25744 2659 1 10 . 1 1 42 42 ALA H H 42 7.678 7.678 7.997 -0.319 25744 2660 1 10 . 1 1 43 43 PHE N N 43 113.805 113.805 116.518 -2.713 25744 2661 1 10 . 1 1 43 43 PHE CA C 43 57.911 57.911 56.824 1.087 25744 2662 1 10 . 1 1 43 43 PHE CB C 43 38.711 38.711 38.408 0.303 25744 2663 1 10 . 1 1 43 43 PHE H H 43 7.044 7.044 7.506 -0.462 25744 2664 1 10 . 1 1 44 44 GLY N N 44 104.034 104.034 107.107 -3.073 25744 2665 1 10 . 1 1 44 44 GLY CA C 44 45.963 45.963 44.926 1.037 25744 2666 1 10 . 1 1 44 44 GLY H H 44 7.099 7.099 8.129 -1.030 25744 2667 1 10 . 1 1 45 45 GLY N N 45 110.240 110.240 108.084 2.156 25744 2668 1 10 . 1 1 45 45 GLY CA C 45 44.622 44.622 45.884 -1.262 25744 2669 1 10 . 1 1 45 45 GLY H H 45 8.015 8.015 8.249 -0.234 25744 2670 1 10 . 1 1 46 46 VAL N N 46 122.532 122.532 120.326 2.206 25744 2671 1 10 . 1 1 46 46 VAL CA C 46 60.910 60.910 62.985 -2.075 25744 2672 1 10 . 1 1 46 46 VAL CB C 46 34.444 34.444 32.037 2.407 25744 2673 1 10 . 1 1 46 46 VAL H H 46 7.854 7.854 7.673 0.181 25744 2674 1 10 . 1 1 47 47 GLY N N 47 114.605 114.605 112.938 1.667 25744 2675 1 10 . 1 1 47 47 GLY CA C 47 45.230 45.230 45.674 -0.444 25744 2676 1 10 . 1 1 48 48 ASN N N 48 121.458 121.458 121.223 0.235 25744 2677 1 10 . 1 1 48 48 ASN CA C 48 57.494 57.494 57.039 0.455 25744 2678 1 10 . 1 1 48 48 ASN CB C 48 31.011 31.011 35.936 -4.925 25744 2679 1 10 . 1 1 48 48 ASN H H 48 8.500 8.500 8.487 0.013 25744 2680 1 10 . 1 1 49 49 PRO CA C 49 64.978 64.978 65.066 -0.088 25744 2681 1 10 . 1 1 49 49 PRO CB C 49 30.885 30.885 30.517 0.368 25744 2682 1 10 . 1 1 50 50 ALA N N 50 110.593 110.593 121.230 -10.637 25744 2683 1 10 . 1 1 50 50 ALA CA C 50 53.171 53.171 54.248 -1.077 25744 2684 1 10 . 1 1 50 50 ALA CB C 50 18.404 18.404 18.524 -0.120 25744 2685 1 10 . 1 1 50 50 ALA H H 50 7.787 7.787 7.274 0.513 25744 2686 1 10 . 1 1 51 51 ALA N N 51 118.962 118.962 120.835 -1.873 25744 2687 1 10 . 1 1 51 51 ALA CA C 51 51.037 51.037 52.035 -0.998 25744 2688 1 10 . 1 1 51 51 ALA CB C 51 19.507 19.507 19.785 -0.278 25744 2689 1 10 . 1 1 51 51 ALA H H 51 7.436 7.436 7.800 -0.364 25744 2690 1 10 . 1 1 52 52 ALA N N 52 122.852 122.852 122.741 0.111 25744 2691 1 10 . 1 1 52 52 ALA CA C 52 50.682 50.682 52.200 -1.518 25744 2692 1 10 . 1 1 52 52 ALA CB C 52 20.654 20.654 19.148 1.506 25744 2693 1 10 . 1 1 52 52 ALA H H 52 7.080 7.080 8.087 -1.007 25744 2694 1 10 . 1 1 53 53 SER N N 53 119.459 119.459 120.254 -0.795 25744 2695 1 10 . 1 1 53 53 SER CA C 53 57.437 57.437 57.646 -0.209 25744 2696 1 10 . 1 1 53 53 SER CB C 53 64.914 64.914 63.931 0.983 25744 2697 1 10 . 1 1 53 53 SER H H 53 8.916 8.916 8.340 0.576 25744 2698 1 10 . 1 1 54 54 ARG N N 54 122.357 122.357 124.475 -2.118 25744 2699 1 10 . 1 1 54 54 ARG CA C 54 59.334 59.334 59.604 -0.270 25744 2700 1 10 . 1 1 54 54 ARG CB C 54 29.111 29.111 29.139 -0.028 25744 2701 1 10 . 1 1 54 54 ARG H H 54 8.791 8.791 8.667 0.124 25744 2702 1 10 . 1 1 55 55 GLU N N 55 114.989 114.989 117.873 -2.884 25744 2703 1 10 . 1 1 55 55 GLU CA C 55 61.348 61.348 58.639 2.709 25744 2704 1 10 . 1 1 55 55 GLU CB C 55 28.756 28.756 29.201 -0.445 25744 2705 1 10 . 1 1 55 55 GLU H H 55 8.214 8.214 8.248 -0.034 25744 2706 1 10 . 1 1 56 56 GLN N N 56 121.065 121.065 119.202 1.863 25744 2707 1 10 . 1 1 56 56 GLN CA C 56 58.504 58.504 58.535 -0.031 25744 2708 1 10 . 1 1 56 56 GLN CB C 56 29.704 29.704 28.568 1.136 25744 2709 1 10 . 1 1 56 56 GLN H H 56 7.975 7.975 7.425 0.550 25744 2710 1 10 . 1 1 57 57 GLN N N 57 120.192 120.192 119.548 0.644 25744 2711 1 10 . 1 1 57 57 GLN CA C 57 60.400 60.400 57.803 2.597 25744 2712 1 10 . 1 1 57 57 GLN CB C 57 30.178 30.178 28.303 1.875 25744 2713 1 10 . 1 1 57 57 GLN H H 57 8.492 8.492 8.323 0.169 25744 2714 1 10 . 1 1 58 58 ILE N N 58 120.157 120.157 116.496 3.661 25744 2715 1 10 . 1 1 58 58 ILE CA C 58 65.952 65.952 64.362 1.590 25744 2716 1 10 . 1 1 58 58 ILE CB C 58 37.747 37.747 36.222 1.524 25744 2717 1 10 . 1 1 58 58 ILE H H 58 8.347 8.347 7.829 0.518 25744 2718 1 10 . 1 1 59 59 ALA N N 59 121.345 121.345 121.781 -0.436 25744 2719 1 10 . 1 1 59 59 ALA CA C 59 55.304 55.304 55.222 0.082 25744 2720 1 10 . 1 1 59 59 ALA CB C 59 17.970 17.970 17.902 0.068 25744 2721 1 10 . 1 1 59 59 ALA H H 59 7.657 7.657 7.444 0.213 25744 2722 1 10 . 1 1 60 60 VAL N N 60 117.152 117.152 118.974 -1.822 25744 2723 1 10 . 1 1 60 60 VAL CA C 60 66.208 66.208 65.169 1.039 25744 2724 1 10 . 1 1 60 60 VAL CB C 60 31.481 31.481 30.388 1.093 25744 2725 1 10 . 1 1 60 60 VAL H H 60 7.144 7.144 7.418 -0.274 25744 2726 1 10 . 1 1 61 61 ALA N N 61 123.936 123.936 122.074 1.862 25744 2727 1 10 . 1 1 61 61 ALA CA C 61 56.371 56.371 55.389 0.982 25744 2728 1 10 . 1 1 61 61 ALA CB C 61 16.482 16.482 18.410 -1.928 25744 2729 1 10 . 1 1 61 61 ALA H H 61 8.225 8.225 8.825 -0.600 25744 2730 1 10 . 1 1 62 62 ASN N N 62 114.116 114.116 117.332 -3.216 25744 2731 1 10 . 1 1 62 62 ASN CA C 62 56.845 56.845 56.142 0.703 25744 2732 1 10 . 1 1 62 62 ASN CB C 62 38.356 38.356 38.473 -0.117 25744 2733 1 10 . 1 1 62 62 ASN H H 62 8.500 8.500 8.510 -0.010 25744 2734 1 10 . 1 1 63 63 ARG N N 63 122.173 122.173 119.720 2.453 25744 2735 1 10 . 1 1 63 63 ARG CA C 63 59.926 59.926 58.721 1.205 25744 2736 1 10 . 1 1 63 63 ARG CB C 63 30.889 30.889 30.326 0.563 25744 2737 1 10 . 1 1 63 63 ARG H H 63 7.474 7.474 7.688 -0.214 25744 2738 1 10 . 1 1 64 64 VAL N N 64 121.659 121.659 121.015 0.644 25744 2739 1 10 . 1 1 64 64 VAL CA C 64 65.852 65.852 66.085 -0.233 25744 2740 1 10 . 1 1 64 64 VAL CB C 64 31.718 31.718 31.228 0.490 25744 2741 1 10 . 1 1 64 64 VAL H H 64 8.107 8.107 8.348 -0.241 25744 2742 1 10 . 1 1 65 65 LEU N N 65 120.681 120.681 120.002 0.679 25744 2743 1 10 . 1 1 65 65 LEU CA C 65 57.556 57.556 59.045 -1.489 25744 2744 1 10 . 1 1 65 65 LEU CB C 65 43.333 43.333 40.945 2.388 25744 2745 1 10 . 1 1 65 65 LEU H H 65 8.948 8.948 8.495 0.453 25744 2746 1 10 . 1 1 66 66 ALA N N 66 118.509 118.509 121.362 -2.853 25744 2747 1 10 . 1 1 66 66 ALA CA C 66 54.830 54.830 54.594 0.236 25744 2748 1 10 . 1 1 66 66 ALA CB C 66 19.155 19.155 18.355 0.800 25744 2749 1 10 . 1 1 66 66 ALA H H 66 7.390 7.390 7.845 -0.455 25744 2750 1 10 . 1 1 67 67 GLU N N 67 114.309 114.309 119.180 -4.871 25744 2751 1 10 . 1 1 67 67 GLU CA C 67 57.700 57.700 58.466 -0.766 25744 2752 1 10 . 1 1 67 67 GLU CB C 67 32.531 32.531 29.970 2.561 25744 2753 1 10 . 1 1 67 67 GLU H H 67 7.369 7.369 7.976 -0.607 25744 2754 1 10 . 1 1 68 68 GLN N N 68 116.281 116.281 115.821 0.460 25744 2755 1 10 . 1 1 68 68 GLN CA C 68 55.778 55.778 56.043 -0.265 25744 2756 1 10 . 1 1 68 68 GLN CB C 68 30.889 30.889 31.653 -0.764 25744 2757 1 10 . 1 1 68 68 GLN H H 68 8.914 8.914 8.335 0.579 25744 2758 1 10 . 1 1 69 69 GLY N N 69 109.577 109.577 107.700 1.877 25744 2759 1 10 . 1 1 69 69 GLY CA C 69 45.941 45.941 44.603 1.338 25744 2760 1 10 . 1 1 69 69 GLY H H 69 8.134 8.134 7.724 0.410 25744 2761 1 10 . 1 1 70 70 LEU N N 70 121.331 121.331 116.758 4.573 25744 2762 1 10 . 1 1 70 70 LEU CA C 70 54.522 54.522 56.489 -1.967 25744 2763 1 10 . 1 1 70 70 LEU CB C 70 41.954 41.954 41.342 0.612 25744 2764 1 10 . 1 1 70 70 LEU H H 70 8.519 8.519 8.649 -0.130 25744 2765 1 10 . 1 1 71 71 ASP N N 71 120.681 120.681 120.000 0.681 25744 2766 1 10 . 1 1 71 71 ASP CA C 71 57.082 57.082 56.698 0.384 25744 2767 1 10 . 1 1 71 71 ASP CB C 71 40.844 40.844 40.678 0.167 25744 2768 1 10 . 1 1 71 71 ASP H H 71 7.718 7.718 7.960 -0.242 25744 2769 1 10 . 1 1 72 72 ALA N N 72 119.110 119.110 121.558 -2.448 25744 2770 1 10 . 1 1 72 72 ALA CA C 72 53.289 53.289 53.153 0.136 25744 2771 1 10 . 1 1 72 72 ALA CB C 72 15.885 15.885 18.405 -2.520 25744 2772 1 10 . 1 1 72 72 ALA H H 72 8.009 8.009 7.195 0.814 25744 2773 1 10 . 1 1 73 73 TRP N N 73 117.503 117.503 117.923 -0.420 25744 2774 1 10 . 1 1 73 73 TRP CA C 73 56.963 56.963 54.389 2.574 25744 2775 1 10 . 1 1 73 73 TRP CB C 73 28.163 28.163 29.412 -1.249 25744 2776 1 10 . 1 1 73 73 TRP H H 73 7.791 7.791 7.209 0.582 25744 2777 1 10 . 1 1 74 74 PRO CA C 74 65.586 65.586 64.684 0.902 25744 2778 1 10 . 1 1 74 74 PRO CB C 74 32.234 32.234 32.171 0.063 25744 2779 1 10 . 1 1 75 75 THR N N 75 111.008 111.008 111.086 -0.078 25744 2780 1 10 . 1 1 75 75 THR CA C 75 63.482 63.482 63.362 0.120 25744 2781 1 10 . 1 1 75 75 THR CB C 75 68.815 68.815 68.461 0.354 25744 2782 1 10 . 1 1 75 75 THR H H 75 8.197 8.197 8.667 -0.470 25744 2783 1 10 . 1 1 76 76 CYS N N 76 119.131 119.131 120.797 -1.666 25744 2784 1 10 . 1 1 76 76 CYS CA C 76 54.853 54.853 58.739 -3.886 25744 2785 1 10 . 1 1 76 76 CYS CB C 76 39.280 39.280 29.799 9.481 25744 2786 1 10 . 1 1 76 76 CYS H H 76 8.144 8.144 8.180 -0.036 25744 2787 1 10 . 1 1 77 77 GLY N N 77 110.834 110.834 109.552 1.282 25744 2788 1 10 . 1 1 77 77 GLY CA C 77 48.430 48.430 45.054 3.376 25744 2789 1 10 . 1 1 77 77 GLY H H 77 8.774 8.774 8.335 0.439 25744 2790 1 10 . 1 1 78 78 ALA N N 78 123.300 123.300 127.379 -4.079 25744 2791 1 10 . 1 1 78 78 ALA CA C 78 53.882 53.882 53.849 0.033 25744 2792 1 10 . 1 1 78 78 ALA CB C 78 18.563 18.563 16.985 1.578 25744 2793 1 10 . 1 1 78 78 ALA H H 78 8.142 8.142 7.977 0.165 25744 2794 1 10 . 1 1 80 80 SER N N 80 111.423 111.423 111.698 -0.275 25744 2795 1 10 . 1 1 80 80 SER CA C 80 59.723 59.723 58.354 1.369 25744 2796 1 10 . 1 1 80 80 SER CB C 80 63.648 63.648 65.215 -1.567 25744 2797 1 10 . 1 1 80 80 SER H H 80 7.742 7.742 7.835 -0.093 25744 2798 1 10 . 1 1 81 81 GLY N N 81 111.317 111.317 112.174 -0.857 25744 2799 1 10 . 1 1 81 81 GLY CA C 81 45.430 45.430 46.062 -0.632 25744 2800 1 10 . 1 1 81 81 GLY H H 81 7.562 7.562 7.823 -0.261 25744 2801 1 11 . 1 1 4 4 GLY N N 4 110.205 110.205 110.619 -0.414 25744 2802 1 11 . 1 1 4 4 GLY CA C 4 44.519 44.519 44.871 -0.352 25744 2803 1 11 . 1 1 4 4 GLY H H 4 8.067 8.067 8.456 -0.389 25744 2804 1 11 . 1 1 5 5 PRO CA C 5 63.030 63.030 62.477 0.553 25744 2805 1 11 . 1 1 5 5 PRO CB C 5 32.458 32.458 32.720 -0.262 25744 2806 1 11 . 1 1 6 6 SER N N 6 116.630 116.630 118.653 -2.023 25744 2807 1 11 . 1 1 6 6 SER CA C 6 56.015 56.015 56.804 -0.789 25744 2808 1 11 . 1 1 6 6 SER CB C 6 63.363 63.363 63.724 -0.361 25744 2809 1 11 . 1 1 6 6 SER H H 6 8.304 8.304 8.395 -0.091 25744 2810 1 11 . 1 1 7 7 PRO CA C 7 62.430 62.430 63.219 -0.790 25744 2811 1 11 . 1 1 7 7 PRO CB C 7 30.960 30.960 32.119 -1.159 25744 2812 1 11 . 1 1 8 8 ASN N N 8 120.122 120.122 118.292 1.830 25744 2813 1 11 . 1 1 8 8 ASN CA C 8 50.800 50.800 51.639 -0.839 25744 2814 1 11 . 1 1 8 8 ASN CB C 8 36.222 36.222 41.513 -5.291 25744 2815 1 11 . 1 1 8 8 ASN H H 8 8.667 8.667 8.121 0.546 25744 2816 1 11 . 1 1 9 9 TRP N N 9 123.684 123.684 121.719 1.965 25744 2817 1 11 . 1 1 9 9 TRP CA C 9 59.215 59.215 61.079 -1.864 25744 2818 1 11 . 1 1 9 9 TRP CB C 9 30.780 30.780 29.646 1.134 25744 2819 1 11 . 1 1 9 9 TRP H H 9 7.691 7.691 8.764 -1.073 25744 2820 1 11 . 1 1 10 10 ASP N N 10 118.132 118.132 118.713 -0.581 25744 2821 1 11 . 1 1 10 10 ASP CA C 10 58.622 58.622 57.967 0.655 25744 2822 1 11 . 1 1 10 10 ASP CB C 10 40.844 40.844 40.650 0.194 25744 2823 1 11 . 1 1 10 10 ASP H H 10 8.320 8.320 8.778 -0.458 25744 2824 1 11 . 1 1 11 11 ALA N N 11 124.299 124.299 122.336 1.963 25744 2825 1 11 . 1 1 11 11 ALA CA C 11 54.593 54.593 54.786 -0.193 25744 2826 1 11 . 1 1 11 11 ALA CB C 11 18.681 18.681 18.592 0.089 25744 2827 1 11 . 1 1 11 11 ALA H H 11 7.395 7.395 7.637 -0.242 25744 2828 1 11 . 1 1 12 12 VAL N N 12 120.997 120.997 118.265 2.732 25744 2829 1 11 . 1 1 12 12 VAL CA C 12 66.682 66.682 66.091 0.591 25744 2830 1 11 . 1 1 12 12 VAL CB C 12 31.481 31.481 30.463 1.018 25744 2831 1 11 . 1 1 12 12 VAL H H 12 7.464 7.464 8.073 -0.609 25744 2832 1 11 . 1 1 13 13 ALA N N 13 121.205 121.205 121.409 -0.204 25744 2833 1 11 . 1 1 13 13 ALA CA C 13 54.711 54.711 55.183 -0.472 25744 2834 1 11 . 1 1 13 13 ALA CB C 13 18.918 18.918 17.838 1.080 25744 2835 1 11 . 1 1 13 13 ALA H H 13 8.523 8.523 8.087 0.436 25744 2836 1 11 . 1 1 14 14 GLN N N 14 120.926 120.926 115.875 5.051 25744 2837 1 11 . 1 1 14 14 GLN CA C 14 58.978 58.978 57.082 1.896 25744 2838 1 11 . 1 1 14 14 GLN CB C 14 27.689 27.689 28.909 -1.220 25744 2839 1 11 . 1 1 14 14 GLN H H 14 8.046 8.046 7.950 0.096 25744 2840 1 11 . 1 1 15 15 CYS N N 15 118.916 118.916 117.678 1.238 25744 2841 1 11 . 1 1 15 15 CYS CA C 15 59.334 59.334 59.329 0.005 25744 2842 1 11 . 1 1 15 15 CYS CB C 15 35.748 35.748 28.682 7.066 25744 2843 1 11 . 1 1 15 15 CYS H H 15 7.108 7.108 7.859 -0.751 25744 2844 1 11 . 1 1 16 16 GLU N N 16 120.227 120.227 119.419 0.808 25744 2845 1 11 . 1 1 16 16 GLU CA C 16 58.978 58.978 58.060 0.918 25744 2846 1 11 . 1 1 16 16 GLU CB C 16 30.051 30.051 30.583 -0.532 25744 2847 1 11 . 1 1 16 16 GLU H H 16 8.776 8.776 8.420 0.356 25744 2848 1 11 . 1 1 17 17 SER N N 17 109.577 109.577 112.136 -2.559 25744 2849 1 11 . 1 1 17 17 SER CA C 17 57.771 57.771 58.330 -0.559 25744 2850 1 11 . 1 1 17 17 SER CB C 17 66.563 66.563 64.609 1.954 25744 2851 1 11 . 1 1 17 17 SER H H 17 8.467 8.467 8.037 0.430 25744 2852 1 11 . 1 1 18 18 GLY N N 18 113.669 113.669 109.044 4.625 25744 2853 1 11 . 1 1 18 18 GLY CA C 18 46.652 46.652 45.101 1.551 25744 2854 1 11 . 1 1 18 18 GLY H H 18 7.598 7.598 7.724 -0.126 25744 2855 1 11 . 1 1 19 19 GLY N N 19 106.884 106.884 106.708 0.176 25744 2856 1 11 . 1 1 19 19 GLY CA C 19 45.467 45.467 45.298 0.169 25744 2857 1 11 . 1 1 19 19 GLY H H 19 7.476 7.476 7.745 -0.269 25744 2858 1 11 . 1 1 20 20 ASN N N 20 116.428 116.428 120.005 -3.577 25744 2859 1 11 . 1 1 20 20 ASN CA C 20 50.445 50.445 52.526 -2.082 25744 2860 1 11 . 1 1 20 20 ASN CB C 20 38.510 38.510 39.659 -1.149 25744 2861 1 11 . 1 1 20 20 ASN H H 20 6.580 6.580 7.753 -1.173 25744 2862 1 11 . 1 1 21 21 TRP N N 21 124.313 124.313 126.630 -2.317 25744 2863 1 11 . 1 1 21 21 TRP CA C 21 60.400 60.400 60.385 0.015 25744 2864 1 11 . 1 1 21 21 TRP CB C 21 27.689 27.689 29.344 -1.655 25744 2865 1 11 . 1 1 21 21 TRP H H 21 8.262 8.262 8.846 -0.584 25744 2866 1 11 . 1 1 22 22 ALA N N 22 120.192 120.192 119.280 0.912 25744 2867 1 11 . 1 1 22 22 ALA CA C 22 50.208 50.208 53.366 -3.158 25744 2868 1 11 . 1 1 22 22 ALA CB C 22 19.037 19.037 17.974 1.063 25744 2869 1 11 . 1 1 22 22 ALA H H 22 7.668 7.668 8.288 -0.620 25744 2870 1 11 . 1 1 23 23 ALA N N 23 121.314 121.314 120.631 0.683 25744 2871 1 11 . 1 1 23 23 ALA CA C 23 54.711 54.711 52.328 2.383 25744 2872 1 11 . 1 1 23 23 ALA CB C 23 18.701 18.701 17.128 1.573 25744 2873 1 11 . 1 1 23 23 ALA H H 23 6.929 6.929 8.030 -1.101 25744 2874 1 11 . 1 1 24 24 ASN N N 24 119.494 119.494 119.684 -0.190 25744 2875 1 11 . 1 1 24 24 ASN CA C 24 52.459 52.459 54.010 -1.551 25744 2876 1 11 . 1 1 24 24 ASN CB C 24 37.170 37.170 37.926 -0.756 25744 2877 1 11 . 1 1 24 24 ASN H H 24 8.678 8.678 8.981 -0.303 25744 2878 1 11 . 1 1 25 25 THR N N 25 113.697 113.697 112.127 1.570 25744 2879 1 11 . 1 1 25 25 THR CA C 25 61.941 61.941 61.867 0.074 25744 2880 1 11 . 1 1 25 25 THR CB C 25 69.171 69.171 69.739 -0.568 25744 2881 1 11 . 1 1 25 25 THR H H 25 9.174 9.174 7.881 1.293 25744 2882 1 11 . 1 1 26 26 GLY N N 26 110.554 110.554 112.127 -1.573 25744 2883 1 11 . 1 1 26 26 GLY CA C 26 45.822 45.822 45.276 0.546 25744 2884 1 11 . 1 1 26 26 GLY H H 26 8.381 8.381 7.978 0.403 25744 2885 1 11 . 1 1 27 27 ASN N N 27 118.272 118.272 119.364 -1.092 25744 2886 1 11 . 1 1 27 27 ASN CA C 27 51.985 51.985 51.456 0.529 25744 2887 1 11 . 1 1 27 27 ASN CB C 27 37.436 37.436 37.857 -0.421 25744 2888 1 11 . 1 1 27 27 ASN H H 27 7.718 7.718 8.405 -0.687 25744 2889 1 11 . 1 1 28 28 GLY N N 28 108.669 108.669 106.734 1.935 25744 2890 1 11 . 1 1 28 28 GLY CA C 28 45.348 45.348 45.974 -0.626 25744 2891 1 11 . 1 1 28 28 GLY H H 28 8.287 8.287 7.528 0.759 25744 2892 1 11 . 1 1 29 29 LYS N N 29 116.881 116.881 118.731 -1.850 25744 2893 1 11 . 1 1 29 29 LYS CA C 29 54.119 54.119 55.233 -1.114 25744 2894 1 11 . 1 1 29 29 LYS CB C 29 35.184 35.184 35.953 -0.769 25744 2895 1 11 . 1 1 29 29 LYS H H 29 7.256 7.256 7.309 -0.053 25744 2896 1 11 . 1 1 30 30 TYR N N 30 115.548 115.548 119.911 -4.363 25744 2897 1 11 . 1 1 30 30 TYR CA C 30 58.148 58.148 57.499 0.649 25744 2898 1 11 . 1 1 30 30 TYR CB C 30 44.163 44.163 41.897 2.266 25744 2899 1 11 . 1 1 30 30 TYR H H 30 8.421 8.421 8.060 0.361 25744 2900 1 11 . 1 1 31 31 GLY N N 31 110.774 110.774 111.245 -0.471 25744 2901 1 11 . 1 1 31 31 GLY CA C 31 44.767 44.767 45.971 -1.204 25744 2902 1 11 . 1 1 31 31 GLY H H 31 9.969 9.969 8.800 1.169 25744 2903 1 11 . 1 1 32 32 GLY N N 32 109.262 109.262 106.979 2.283 25744 2904 1 11 . 1 1 32 32 GLY CA C 32 46.193 46.193 44.712 1.481 25744 2905 1 11 . 1 1 32 32 GLY H H 32 9.008 9.008 7.759 1.249 25744 2906 1 11 . 1 1 33 33 LEU N N 33 115.269 115.269 120.137 -4.868 25744 2907 1 11 . 1 1 33 33 LEU CA C 33 52.815 52.815 52.680 0.135 25744 2908 1 11 . 1 1 33 33 LEU CB C 33 41.556 41.556 41.146 0.410 25744 2909 1 11 . 1 1 33 33 LEU H H 33 7.843 7.843 7.363 0.480 25744 2910 1 11 . 1 1 34 34 GLN N N 34 112.176 112.176 117.309 -5.133 25744 2911 1 11 . 1 1 34 34 GLN CA C 34 55.304 55.304 57.104 -1.800 25744 2912 1 11 . 1 1 34 34 GLN CB C 34 27.333 27.333 27.784 -0.451 25744 2913 1 11 . 1 1 34 34 GLN H H 34 7.321 7.321 8.084 -0.763 25744 2914 1 11 . 1 1 35 35 PHE N N 35 116.246 116.246 120.639 -4.393 25744 2915 1 11 . 1 1 35 35 PHE CA C 35 59.334 59.334 56.276 3.058 25744 2916 1 11 . 1 1 35 35 PHE CB C 35 41.793 41.793 39.775 2.018 25744 2917 1 11 . 1 1 35 35 PHE H H 35 7.708 7.708 8.019 -0.311 25744 2918 1 11 . 1 1 36 36 LYS N N 36 122.039 122.039 128.250 -6.211 25744 2919 1 11 . 1 1 36 36 LYS CA C 36 54.711 54.711 56.141 -1.430 25744 2920 1 11 . 1 1 36 36 LYS CB C 36 32.193 32.193 31.974 0.219 25744 2921 1 11 . 1 1 36 36 LYS H H 36 9.110 9.110 8.475 0.635 25744 2922 1 11 . 1 1 37 37 PRO CA C 37 66.626 66.626 65.472 1.154 25744 2923 1 11 . 1 1 37 37 PRO CB C 37 32.234 32.234 31.989 0.245 25744 2924 1 11 . 1 1 39 39 THR N N 39 115.976 115.976 113.888 2.088 25744 2925 1 11 . 1 1 39 39 THR CA C 39 65.971 65.971 65.272 0.700 25744 2926 1 11 . 1 1 39 39 THR CB C 39 69.550 69.550 68.446 1.104 25744 2927 1 11 . 1 1 39 39 THR H H 39 7.046 7.046 7.483 -0.437 25744 2928 1 11 . 1 1 40 40 TRP N N 40 120.053 120.053 123.715 -3.662 25744 2929 1 11 . 1 1 40 40 TRP CA C 40 60.163 60.163 59.642 0.521 25744 2930 1 11 . 1 1 40 40 TRP CB C 40 30.317 30.317 29.471 0.846 25744 2931 1 11 . 1 1 40 40 TRP H H 40 7.810 7.810 7.854 -0.044 25744 2932 1 11 . 1 1 41 41 ALA N N 41 117.049 117.049 121.945 -4.896 25744 2933 1 11 . 1 1 41 41 ALA CA C 41 54.119 54.119 54.995 -0.875 25744 2934 1 11 . 1 1 41 41 ALA CB C 41 18.800 18.800 17.719 1.081 25744 2935 1 11 . 1 1 41 41 ALA H H 41 8.117 8.117 8.275 -0.158 25744 2936 1 11 . 1 1 42 42 ALA N N 42 120.416 120.416 121.934 -1.518 25744 2937 1 11 . 1 1 42 42 ALA CA C 42 53.408 53.408 54.603 -1.195 25744 2938 1 11 . 1 1 42 42 ALA CB C 42 18.020 18.020 18.760 -0.740 25744 2939 1 11 . 1 1 42 42 ALA H H 42 7.678 7.678 7.924 -0.246 25744 2940 1 11 . 1 1 43 43 PHE N N 43 113.805 113.805 116.461 -2.656 25744 2941 1 11 . 1 1 43 43 PHE CA C 43 57.911 57.911 57.441 0.470 25744 2942 1 11 . 1 1 43 43 PHE CB C 43 38.711 38.711 38.847 -0.136 25744 2943 1 11 . 1 1 43 43 PHE H H 43 7.044 7.044 7.587 -0.543 25744 2944 1 11 . 1 1 44 44 GLY N N 44 104.034 104.034 107.197 -3.163 25744 2945 1 11 . 1 1 44 44 GLY CA C 44 45.963 45.963 44.793 1.170 25744 2946 1 11 . 1 1 44 44 GLY H H 44 7.099 7.099 8.118 -1.019 25744 2947 1 11 . 1 1 45 45 GLY N N 45 110.240 110.240 107.843 2.397 25744 2948 1 11 . 1 1 45 45 GLY CA C 45 44.622 44.622 45.602 -0.980 25744 2949 1 11 . 1 1 45 45 GLY H H 45 8.015 8.015 8.068 -0.053 25744 2950 1 11 . 1 1 46 46 VAL N N 46 122.532 122.532 120.338 2.194 25744 2951 1 11 . 1 1 46 46 VAL CA C 46 60.910 60.910 62.244 -1.334 25744 2952 1 11 . 1 1 46 46 VAL CB C 46 34.444 34.444 32.721 1.723 25744 2953 1 11 . 1 1 46 46 VAL H H 46 7.854 7.854 7.865 -0.011 25744 2954 1 11 . 1 1 47 47 GLY N N 47 114.605 114.605 114.349 0.256 25744 2955 1 11 . 1 1 47 47 GLY CA C 47 45.230 45.230 45.828 -0.598 25744 2956 1 11 . 1 1 48 48 ASN N N 48 121.458 121.458 120.987 0.471 25744 2957 1 11 . 1 1 48 48 ASN CA C 48 57.494 57.494 57.698 -0.204 25744 2958 1 11 . 1 1 48 48 ASN CB C 48 31.011 31.011 37.261 -6.250 25744 2959 1 11 . 1 1 48 48 ASN H H 48 8.500 8.500 8.494 0.006 25744 2960 1 11 . 1 1 49 49 PRO CA C 49 64.978 64.978 64.908 0.070 25744 2961 1 11 . 1 1 49 49 PRO CB C 49 30.885 30.885 30.610 0.275 25744 2962 1 11 . 1 1 50 50 ALA N N 50 110.593 110.593 120.675 -10.082 25744 2963 1 11 . 1 1 50 50 ALA CA C 50 53.171 53.171 53.955 -0.784 25744 2964 1 11 . 1 1 50 50 ALA CB C 50 18.404 18.404 18.445 -0.041 25744 2965 1 11 . 1 1 50 50 ALA H H 50 7.787 7.787 7.374 0.413 25744 2966 1 11 . 1 1 51 51 ALA N N 51 118.962 118.962 120.554 -1.592 25744 2967 1 11 . 1 1 51 51 ALA CA C 51 51.037 51.037 52.194 -1.157 25744 2968 1 11 . 1 1 51 51 ALA CB C 51 19.507 19.507 20.439 -0.932 25744 2969 1 11 . 1 1 51 51 ALA H H 51 7.436 7.436 7.754 -0.318 25744 2970 1 11 . 1 1 52 52 ALA N N 52 122.852 122.852 123.260 -0.408 25744 2971 1 11 . 1 1 52 52 ALA CA C 52 50.682 50.682 52.446 -1.764 25744 2972 1 11 . 1 1 52 52 ALA CB C 52 20.654 20.654 18.791 1.863 25744 2973 1 11 . 1 1 52 52 ALA H H 52 7.080 7.080 8.037 -0.957 25744 2974 1 11 . 1 1 53 53 SER N N 53 119.459 119.459 119.685 -0.226 25744 2975 1 11 . 1 1 53 53 SER CA C 53 57.437 57.437 57.438 -0.001 25744 2976 1 11 . 1 1 53 53 SER CB C 53 64.914 64.914 64.056 0.857 25744 2977 1 11 . 1 1 53 53 SER H H 53 8.916 8.916 8.375 0.541 25744 2978 1 11 . 1 1 54 54 ARG N N 54 122.357 122.357 123.741 -1.384 25744 2979 1 11 . 1 1 54 54 ARG CA C 54 59.334 59.334 59.989 -0.655 25744 2980 1 11 . 1 1 54 54 ARG CB C 54 29.111 29.111 29.293 -0.182 25744 2981 1 11 . 1 1 54 54 ARG H H 54 8.791 8.791 8.673 0.118 25744 2982 1 11 . 1 1 55 55 GLU N N 55 114.989 114.989 117.933 -2.944 25744 2983 1 11 . 1 1 55 55 GLU CA C 55 61.348 61.348 58.693 2.655 25744 2984 1 11 . 1 1 55 55 GLU CB C 55 28.756 28.756 29.334 -0.577 25744 2985 1 11 . 1 1 55 55 GLU H H 55 8.214 8.214 8.419 -0.205 25744 2986 1 11 . 1 1 56 56 GLN N N 56 121.065 121.065 119.201 1.864 25744 2987 1 11 . 1 1 56 56 GLN CA C 56 58.504 58.504 58.588 -0.084 25744 2988 1 11 . 1 1 56 56 GLN CB C 56 29.704 29.704 28.486 1.218 25744 2989 1 11 . 1 1 56 56 GLN H H 56 7.975 7.975 7.484 0.491 25744 2990 1 11 . 1 1 57 57 GLN N N 57 120.192 120.192 119.910 0.282 25744 2991 1 11 . 1 1 57 57 GLN CA C 57 60.400 60.400 58.092 2.308 25744 2992 1 11 . 1 1 57 57 GLN CB C 57 30.178 30.178 28.258 1.920 25744 2993 1 11 . 1 1 57 57 GLN H H 57 8.492 8.492 8.431 0.061 25744 2994 1 11 . 1 1 58 58 ILE N N 58 120.157 120.157 116.572 3.585 25744 2995 1 11 . 1 1 58 58 ILE CA C 58 65.952 65.952 64.063 1.889 25744 2996 1 11 . 1 1 58 58 ILE CB C 58 37.747 37.747 36.328 1.419 25744 2997 1 11 . 1 1 58 58 ILE H H 58 8.347 8.347 7.841 0.506 25744 2998 1 11 . 1 1 59 59 ALA N N 59 121.345 121.345 122.165 -0.820 25744 2999 1 11 . 1 1 59 59 ALA CA C 59 55.304 55.304 55.341 -0.037 25744 3000 1 11 . 1 1 59 59 ALA CB C 59 17.970 17.970 17.924 0.046 25744 3001 1 11 . 1 1 59 59 ALA H H 59 7.657 7.657 7.600 0.057 25744 3002 1 11 . 1 1 60 60 VAL N N 60 117.152 117.152 118.986 -1.834 25744 3003 1 11 . 1 1 60 60 VAL CA C 60 66.208 66.208 65.324 0.884 25744 3004 1 11 . 1 1 60 60 VAL CB C 60 31.481 31.481 30.407 1.073 25744 3005 1 11 . 1 1 60 60 VAL H H 60 7.144 7.144 7.529 -0.385 25744 3006 1 11 . 1 1 61 61 ALA N N 61 123.936 123.936 122.103 1.833 25744 3007 1 11 . 1 1 61 61 ALA CA C 61 56.371 56.371 55.458 0.913 25744 3008 1 11 . 1 1 61 61 ALA CB C 61 16.482 16.482 18.328 -1.846 25744 3009 1 11 . 1 1 61 61 ALA H H 61 8.225 8.225 8.657 -0.432 25744 3010 1 11 . 1 1 62 62 ASN N N 62 114.116 114.116 116.800 -2.684 25744 3011 1 11 . 1 1 62 62 ASN CA C 62 56.845 56.845 56.101 0.744 25744 3012 1 11 . 1 1 62 62 ASN CB C 62 38.356 38.356 38.675 -0.319 25744 3013 1 11 . 1 1 62 62 ASN H H 62 8.500 8.500 8.467 0.033 25744 3014 1 11 . 1 1 63 63 ARG N N 63 122.173 122.173 119.967 2.206 25744 3015 1 11 . 1 1 63 63 ARG CA C 63 59.926 59.926 58.770 1.157 25744 3016 1 11 . 1 1 63 63 ARG CB C 63 30.889 30.889 30.498 0.391 25744 3017 1 11 . 1 1 63 63 ARG H H 63 7.474 7.474 7.739 -0.265 25744 3018 1 11 . 1 1 64 64 VAL N N 64 121.659 121.659 121.259 0.400 25744 3019 1 11 . 1 1 64 64 VAL CA C 64 65.852 65.852 66.308 -0.456 25744 3020 1 11 . 1 1 64 64 VAL CB C 64 31.718 31.718 31.248 0.470 25744 3021 1 11 . 1 1 64 64 VAL H H 64 8.107 8.107 8.561 -0.454 25744 3022 1 11 . 1 1 65 65 LEU N N 65 120.681 120.681 119.975 0.706 25744 3023 1 11 . 1 1 65 65 LEU CA C 65 57.556 57.556 58.980 -1.423 25744 3024 1 11 . 1 1 65 65 LEU CB C 65 43.333 43.333 40.904 2.429 25744 3025 1 11 . 1 1 65 65 LEU H H 65 8.948 8.948 8.220 0.728 25744 3026 1 11 . 1 1 66 66 ALA N N 66 118.509 118.509 121.228 -2.719 25744 3027 1 11 . 1 1 66 66 ALA CA C 66 54.830 54.830 54.543 0.287 25744 3028 1 11 . 1 1 66 66 ALA CB C 66 19.155 19.155 18.343 0.812 25744 3029 1 11 . 1 1 66 66 ALA H H 66 7.390 7.390 7.774 -0.384 25744 3030 1 11 . 1 1 67 67 GLU N N 67 114.309 114.309 119.008 -4.699 25744 3031 1 11 . 1 1 67 67 GLU CA C 67 57.700 57.700 58.772 -1.072 25744 3032 1 11 . 1 1 67 67 GLU CB C 67 32.531 32.531 30.144 2.387 25744 3033 1 11 . 1 1 67 67 GLU H H 67 7.369 7.369 7.911 -0.542 25744 3034 1 11 . 1 1 68 68 GLN N N 68 116.281 116.281 116.109 0.172 25744 3035 1 11 . 1 1 68 68 GLN CA C 68 55.778 55.778 56.085 -0.307 25744 3036 1 11 . 1 1 68 68 GLN CB C 68 30.889 30.889 31.711 -0.822 25744 3037 1 11 . 1 1 68 68 GLN H H 68 8.914 8.914 8.264 0.650 25744 3038 1 11 . 1 1 69 69 GLY N N 69 109.577 109.577 107.469 2.108 25744 3039 1 11 . 1 1 69 69 GLY CA C 69 45.941 45.941 44.645 1.296 25744 3040 1 11 . 1 1 69 69 GLY H H 69 8.134 8.134 7.688 0.446 25744 3041 1 11 . 1 1 70 70 LEU N N 70 121.331 121.331 116.792 4.539 25744 3042 1 11 . 1 1 70 70 LEU CA C 70 54.522 54.522 56.923 -2.401 25744 3043 1 11 . 1 1 70 70 LEU CB C 70 41.954 41.954 41.468 0.486 25744 3044 1 11 . 1 1 70 70 LEU H H 70 8.519 8.519 8.591 -0.072 25744 3045 1 11 . 1 1 71 71 ASP N N 71 120.681 120.681 120.513 0.168 25744 3046 1 11 . 1 1 71 71 ASP CA C 71 57.082 57.082 56.279 0.803 25744 3047 1 11 . 1 1 71 71 ASP CB C 71 40.844 40.844 39.280 1.564 25744 3048 1 11 . 1 1 71 71 ASP H H 71 7.718 7.718 8.211 -0.493 25744 3049 1 11 . 1 1 72 72 ALA N N 72 119.110 119.110 120.940 -1.830 25744 3050 1 11 . 1 1 72 72 ALA CA C 72 53.289 53.289 53.147 0.142 25744 3051 1 11 . 1 1 72 72 ALA CB C 72 15.885 15.885 18.343 -2.458 25744 3052 1 11 . 1 1 72 72 ALA H H 72 8.009 8.009 7.513 0.496 25744 3053 1 11 . 1 1 73 73 TRP N N 73 117.503 117.503 116.786 0.717 25744 3054 1 11 . 1 1 73 73 TRP CA C 73 56.963 56.963 54.624 2.339 25744 3055 1 11 . 1 1 73 73 TRP CB C 73 28.163 28.163 29.400 -1.237 25744 3056 1 11 . 1 1 73 73 TRP H H 73 7.791 7.791 7.555 0.236 25744 3057 1 11 . 1 1 74 74 PRO CA C 74 65.586 65.586 64.905 0.681 25744 3058 1 11 . 1 1 74 74 PRO CB C 74 32.234 32.234 31.928 0.306 25744 3059 1 11 . 1 1 75 75 THR N N 75 111.008 111.008 112.278 -1.270 25744 3060 1 11 . 1 1 75 75 THR CA C 75 63.482 63.482 63.938 -0.456 25744 3061 1 11 . 1 1 75 75 THR CB C 75 68.815 68.815 68.948 -0.133 25744 3062 1 11 . 1 1 75 75 THR H H 75 8.197 8.197 8.709 -0.512 25744 3063 1 11 . 1 1 76 76 CYS N N 76 119.131 119.131 118.112 1.019 25744 3064 1 11 . 1 1 76 76 CYS CA C 76 54.853 54.853 57.378 -2.525 25744 3065 1 11 . 1 1 76 76 CYS CB C 76 39.280 39.280 30.369 8.911 25744 3066 1 11 . 1 1 76 76 CYS H H 76 8.144 8.144 8.050 0.094 25744 3067 1 11 . 1 1 77 77 GLY N N 77 110.834 110.834 108.193 2.641 25744 3068 1 11 . 1 1 77 77 GLY CA C 77 48.430 48.430 44.822 3.608 25744 3069 1 11 . 1 1 77 77 GLY H H 77 8.774 8.774 8.158 0.616 25744 3070 1 11 . 1 1 78 78 ALA N N 78 123.300 123.300 126.711 -3.411 25744 3071 1 11 . 1 1 78 78 ALA CA C 78 53.882 53.882 53.424 0.458 25744 3072 1 11 . 1 1 78 78 ALA CB C 78 18.563 18.563 16.810 1.753 25744 3073 1 11 . 1 1 78 78 ALA H H 78 8.142 8.142 7.681 0.461 25744 3074 1 11 . 1 1 80 80 SER N N 80 111.423 111.423 112.776 -1.353 25744 3075 1 11 . 1 1 80 80 SER CA C 80 59.723 59.723 58.480 1.243 25744 3076 1 11 . 1 1 80 80 SER CB C 80 63.648 63.648 64.631 -0.983 25744 3077 1 11 . 1 1 80 80 SER H H 80 7.742 7.742 7.830 -0.088 25744 3078 1 11 . 1 1 81 81 GLY N N 81 111.317 111.317 111.276 0.041 25744 3079 1 11 . 1 1 81 81 GLY CA C 81 45.430 45.430 45.642 -0.212 25744 3080 1 11 . 1 1 81 81 GLY H H 81 7.562 7.562 7.691 -0.129 25744 3081 1 12 . 1 1 4 4 GLY N N 4 110.205 110.205 111.504 -1.299 25744 3082 1 12 . 1 1 4 4 GLY CA C 4 44.519 44.519 44.832 -0.313 25744 3083 1 12 . 1 1 4 4 GLY H H 4 8.067 8.067 8.180 -0.113 25744 3084 1 12 . 1 1 5 5 PRO CA C 5 63.030 63.030 62.503 0.527 25744 3085 1 12 . 1 1 5 5 PRO CB C 5 32.458 32.458 32.569 -0.112 25744 3086 1 12 . 1 1 6 6 SER N N 6 116.630 116.630 117.959 -1.329 25744 3087 1 12 . 1 1 6 6 SER CA C 6 56.015 56.015 57.771 -1.756 25744 3088 1 12 . 1 1 6 6 SER CB C 6 63.363 63.363 63.217 0.146 25744 3089 1 12 . 1 1 6 6 SER H H 6 8.304 8.304 8.424 -0.120 25744 3090 1 12 . 1 1 7 7 PRO CA C 7 62.430 62.430 62.728 -0.298 25744 3091 1 12 . 1 1 7 7 PRO CB C 7 30.960 30.960 32.177 -1.217 25744 3092 1 12 . 1 1 8 8 ASN N N 8 120.122 120.122 121.860 -1.738 25744 3093 1 12 . 1 1 8 8 ASN CA C 8 50.800 50.800 51.430 -0.630 25744 3094 1 12 . 1 1 8 8 ASN CB C 8 36.222 36.222 37.562 -1.339 25744 3095 1 12 . 1 1 8 8 ASN H H 8 8.667 8.667 8.706 -0.039 25744 3096 1 12 . 1 1 9 9 TRP N N 9 123.684 123.684 125.061 -1.377 25744 3097 1 12 . 1 1 9 9 TRP CA C 9 59.215 59.215 60.900 -1.685 25744 3098 1 12 . 1 1 9 9 TRP CB C 9 30.780 30.780 29.794 0.986 25744 3099 1 12 . 1 1 9 9 TRP H H 9 7.691 7.691 8.123 -0.432 25744 3100 1 12 . 1 1 10 10 ASP N N 10 118.132 118.132 119.164 -1.032 25744 3101 1 12 . 1 1 10 10 ASP CA C 10 58.622 58.622 57.331 1.291 25744 3102 1 12 . 1 1 10 10 ASP CB C 10 40.844 40.844 40.771 0.073 25744 3103 1 12 . 1 1 10 10 ASP H H 10 8.320 8.320 8.382 -0.062 25744 3104 1 12 . 1 1 11 11 ALA N N 11 124.299 124.299 122.384 1.915 25744 3105 1 12 . 1 1 11 11 ALA CA C 11 54.593 54.593 54.891 -0.298 25744 3106 1 12 . 1 1 11 11 ALA CB C 11 18.681 18.681 18.656 0.025 25744 3107 1 12 . 1 1 11 11 ALA H H 11 7.395 7.395 8.308 -0.913 25744 3108 1 12 . 1 1 12 12 VAL N N 12 120.997 120.997 117.599 3.398 25744 3109 1 12 . 1 1 12 12 VAL CA C 12 66.682 66.682 66.125 0.557 25744 3110 1 12 . 1 1 12 12 VAL CB C 12 31.481 31.481 30.190 1.291 25744 3111 1 12 . 1 1 12 12 VAL H H 12 7.464 7.464 7.947 -0.483 25744 3112 1 12 . 1 1 13 13 ALA N N 13 121.205 121.205 121.867 -0.662 25744 3113 1 12 . 1 1 13 13 ALA CA C 13 54.711 54.711 55.108 -0.397 25744 3114 1 12 . 1 1 13 13 ALA CB C 13 18.918 18.918 17.672 1.246 25744 3115 1 12 . 1 1 13 13 ALA H H 13 8.523 8.523 7.678 0.845 25744 3116 1 12 . 1 1 14 14 GLN N N 14 120.926 120.926 116.856 4.070 25744 3117 1 12 . 1 1 14 14 GLN CA C 14 58.978 58.978 57.824 1.154 25744 3118 1 12 . 1 1 14 14 GLN CB C 14 27.689 27.689 28.801 -1.112 25744 3119 1 12 . 1 1 14 14 GLN H H 14 8.046 8.046 8.055 -0.009 25744 3120 1 12 . 1 1 15 15 CYS N N 15 118.916 118.916 117.762 1.154 25744 3121 1 12 . 1 1 15 15 CYS CA C 15 59.334 59.334 59.530 -0.196 25744 3122 1 12 . 1 1 15 15 CYS CB C 15 35.748 35.748 28.876 6.872 25744 3123 1 12 . 1 1 15 15 CYS H H 15 7.108 7.108 7.681 -0.573 25744 3124 1 12 . 1 1 16 16 GLU N N 16 120.227 120.227 119.530 0.697 25744 3125 1 12 . 1 1 16 16 GLU CA C 16 58.978 58.978 58.363 0.615 25744 3126 1 12 . 1 1 16 16 GLU CB C 16 30.051 30.051 30.616 -0.565 25744 3127 1 12 . 1 1 16 16 GLU H H 16 8.776 8.776 8.387 0.389 25744 3128 1 12 . 1 1 17 17 SER N N 17 109.577 109.577 112.681 -3.104 25744 3129 1 12 . 1 1 17 17 SER CA C 17 57.771 57.771 58.018 -0.247 25744 3130 1 12 . 1 1 17 17 SER CB C 17 66.563 66.563 64.381 2.182 25744 3131 1 12 . 1 1 17 17 SER H H 17 8.467 8.467 8.365 0.102 25744 3132 1 12 . 1 1 18 18 GLY N N 18 113.669 113.669 108.752 4.917 25744 3133 1 12 . 1 1 18 18 GLY CA C 18 46.652 46.652 45.143 1.509 25744 3134 1 12 . 1 1 18 18 GLY H H 18 7.598 7.598 7.687 -0.089 25744 3135 1 12 . 1 1 19 19 GLY N N 19 106.884 106.884 106.786 0.098 25744 3136 1 12 . 1 1 19 19 GLY CA C 19 45.467 45.467 45.384 0.083 25744 3137 1 12 . 1 1 19 19 GLY H H 19 7.476 7.476 7.611 -0.135 25744 3138 1 12 . 1 1 20 20 ASN N N 20 116.428 116.428 120.736 -4.308 25744 3139 1 12 . 1 1 20 20 ASN CA C 20 50.445 50.445 52.551 -2.106 25744 3140 1 12 . 1 1 20 20 ASN CB C 20 38.510 38.510 39.555 -1.045 25744 3141 1 12 . 1 1 20 20 ASN H H 20 6.580 6.580 7.726 -1.146 25744 3142 1 12 . 1 1 21 21 TRP N N 21 124.313 124.313 124.198 0.115 25744 3143 1 12 . 1 1 21 21 TRP CA C 21 60.400 60.400 59.071 1.329 25744 3144 1 12 . 1 1 21 21 TRP CB C 21 27.689 27.689 29.895 -2.206 25744 3145 1 12 . 1 1 21 21 TRP H H 21 8.262 8.262 8.986 -0.724 25744 3146 1 12 . 1 1 22 22 ALA N N 22 120.192 120.192 119.415 0.777 25744 3147 1 12 . 1 1 22 22 ALA CA C 22 50.208 50.208 50.588 -0.380 25744 3148 1 12 . 1 1 22 22 ALA CB C 22 19.037 19.037 17.553 1.484 25744 3149 1 12 . 1 1 22 22 ALA H H 22 7.668 7.668 8.018 -0.350 25744 3150 1 12 . 1 1 23 23 ALA N N 23 121.314 121.314 123.467 -2.153 25744 3151 1 12 . 1 1 23 23 ALA CA C 23 54.711 54.711 52.174 2.537 25744 3152 1 12 . 1 1 23 23 ALA CB C 23 18.701 18.701 17.283 1.418 25744 3153 1 12 . 1 1 23 23 ALA H H 23 6.929 6.929 8.393 -1.464 25744 3154 1 12 . 1 1 24 24 ASN N N 24 119.494 119.494 117.079 2.415 25744 3155 1 12 . 1 1 24 24 ASN CA C 24 52.459 52.459 53.221 -0.762 25744 3156 1 12 . 1 1 24 24 ASN CB C 24 37.170 37.170 38.701 -1.531 25744 3157 1 12 . 1 1 24 24 ASN H H 24 8.678 8.678 8.000 0.678 25744 3158 1 12 . 1 1 25 25 THR N N 25 113.697 113.697 113.587 0.110 25744 3159 1 12 . 1 1 25 25 THR CA C 25 61.941 61.941 61.888 0.053 25744 3160 1 12 . 1 1 25 25 THR CB C 25 69.171 69.171 68.156 1.015 25744 3161 1 12 . 1 1 25 25 THR H H 25 9.174 9.174 7.816 1.358 25744 3162 1 12 . 1 1 26 26 GLY N N 26 110.554 110.554 111.313 -0.759 25744 3163 1 12 . 1 1 26 26 GLY CA C 26 45.822 45.822 45.911 -0.089 25744 3164 1 12 . 1 1 26 26 GLY H H 26 8.381 8.381 7.701 0.680 25744 3165 1 12 . 1 1 27 27 ASN N N 27 118.272 118.272 120.840 -2.568 25744 3166 1 12 . 1 1 27 27 ASN CA C 27 51.985 51.985 51.942 0.043 25744 3167 1 12 . 1 1 27 27 ASN CB C 27 37.436 37.436 38.070 -0.634 25744 3168 1 12 . 1 1 27 27 ASN H H 27 7.718 7.718 8.483 -0.765 25744 3169 1 12 . 1 1 28 28 GLY N N 28 108.669 108.669 107.824 0.845 25744 3170 1 12 . 1 1 28 28 GLY CA C 28 45.348 45.348 45.743 -0.395 25744 3171 1 12 . 1 1 28 28 GLY H H 28 8.287 8.287 7.753 0.534 25744 3172 1 12 . 1 1 29 29 LYS N N 29 116.881 116.881 118.687 -1.806 25744 3173 1 12 . 1 1 29 29 LYS CA C 29 54.119 54.119 56.053 -1.934 25744 3174 1 12 . 1 1 29 29 LYS CB C 29 35.184 35.184 33.837 1.347 25744 3175 1 12 . 1 1 29 29 LYS H H 29 7.256 7.256 7.410 -0.154 25744 3176 1 12 . 1 1 30 30 TYR N N 30 115.548 115.548 118.953 -3.405 25744 3177 1 12 . 1 1 30 30 TYR CA C 30 58.148 58.148 57.553 0.595 25744 3178 1 12 . 1 1 30 30 TYR CB C 30 44.163 44.163 41.869 2.294 25744 3179 1 12 . 1 1 30 30 TYR H H 30 8.421 8.421 8.235 0.186 25744 3180 1 12 . 1 1 31 31 GLY N N 31 110.774 110.774 110.889 -0.115 25744 3181 1 12 . 1 1 31 31 GLY CA C 31 44.767 44.767 45.845 -1.078 25744 3182 1 12 . 1 1 31 31 GLY H H 31 9.969 9.969 8.709 1.260 25744 3183 1 12 . 1 1 32 32 GLY N N 32 109.262 109.262 107.358 1.904 25744 3184 1 12 . 1 1 32 32 GLY CA C 32 46.193 46.193 44.955 1.238 25744 3185 1 12 . 1 1 32 32 GLY H H 32 9.008 9.008 7.524 1.484 25744 3186 1 12 . 1 1 33 33 LEU N N 33 115.269 115.269 120.708 -5.439 25744 3187 1 12 . 1 1 33 33 LEU CA C 33 52.815 52.815 52.983 -0.168 25744 3188 1 12 . 1 1 33 33 LEU CB C 33 41.556 41.556 41.504 0.052 25744 3189 1 12 . 1 1 33 33 LEU H H 33 7.843 7.843 7.288 0.555 25744 3190 1 12 . 1 1 34 34 GLN N N 34 112.176 112.176 113.924 -1.748 25744 3191 1 12 . 1 1 34 34 GLN CA C 34 55.304 55.304 56.862 -1.558 25744 3192 1 12 . 1 1 34 34 GLN CB C 34 27.333 27.333 26.567 0.766 25744 3193 1 12 . 1 1 34 34 GLN H H 34 7.321 7.321 7.857 -0.536 25744 3194 1 12 . 1 1 35 35 PHE N N 35 116.246 116.246 121.843 -5.597 25744 3195 1 12 . 1 1 35 35 PHE CA C 35 59.334 59.334 58.007 1.327 25744 3196 1 12 . 1 1 35 35 PHE CB C 35 41.793 41.793 39.609 2.184 25744 3197 1 12 . 1 1 35 35 PHE H H 35 7.708 7.708 7.840 -0.132 25744 3198 1 12 . 1 1 36 36 LYS N N 36 122.039 122.039 128.821 -6.782 25744 3199 1 12 . 1 1 36 36 LYS CA C 36 54.711 54.711 55.986 -1.275 25744 3200 1 12 . 1 1 36 36 LYS CB C 36 32.193 32.193 31.631 0.562 25744 3201 1 12 . 1 1 36 36 LYS H H 36 9.110 9.110 8.226 0.884 25744 3202 1 12 . 1 1 37 37 PRO CA C 37 66.626 66.626 65.757 0.869 25744 3203 1 12 . 1 1 37 37 PRO CB C 37 32.234 32.234 31.961 0.273 25744 3204 1 12 . 1 1 39 39 THR N N 39 115.976 115.976 114.120 1.856 25744 3205 1 12 . 1 1 39 39 THR CA C 39 65.971 65.971 65.315 0.656 25744 3206 1 12 . 1 1 39 39 THR CB C 39 69.550 69.550 68.603 0.947 25744 3207 1 12 . 1 1 39 39 THR H H 39 7.046 7.046 7.437 -0.391 25744 3208 1 12 . 1 1 40 40 TRP N N 40 120.053 120.053 124.171 -4.118 25744 3209 1 12 . 1 1 40 40 TRP CA C 40 60.163 60.163 59.793 0.370 25744 3210 1 12 . 1 1 40 40 TRP CB C 40 30.317 30.317 29.724 0.593 25744 3211 1 12 . 1 1 40 40 TRP H H 40 7.810 7.810 8.718 -0.908 25744 3212 1 12 . 1 1 41 41 ALA N N 41 117.049 117.049 122.007 -4.958 25744 3213 1 12 . 1 1 41 41 ALA CA C 41 54.119 54.119 55.083 -0.964 25744 3214 1 12 . 1 1 41 41 ALA CB C 41 18.800 18.800 17.767 1.033 25744 3215 1 12 . 1 1 41 41 ALA H H 41 8.117 8.117 8.654 -0.537 25744 3216 1 12 . 1 1 42 42 ALA N N 42 120.416 120.416 121.749 -1.333 25744 3217 1 12 . 1 1 42 42 ALA CA C 42 53.408 53.408 54.584 -1.176 25744 3218 1 12 . 1 1 42 42 ALA CB C 42 18.020 18.020 18.824 -0.804 25744 3219 1 12 . 1 1 42 42 ALA H H 42 7.678 7.678 7.887 -0.209 25744 3220 1 12 . 1 1 43 43 PHE N N 43 113.805 113.805 116.898 -3.093 25744 3221 1 12 . 1 1 43 43 PHE CA C 43 57.911 57.911 57.559 0.352 25744 3222 1 12 . 1 1 43 43 PHE CB C 43 38.711 38.711 38.569 0.142 25744 3223 1 12 . 1 1 43 43 PHE H H 43 7.044 7.044 7.557 -0.513 25744 3224 1 12 . 1 1 44 44 GLY N N 44 104.034 104.034 106.638 -2.604 25744 3225 1 12 . 1 1 44 44 GLY CA C 44 45.963 45.963 45.075 0.888 25744 3226 1 12 . 1 1 44 44 GLY H H 44 7.099 7.099 8.027 -0.928 25744 3227 1 12 . 1 1 45 45 GLY N N 45 110.240 110.240 108.053 2.187 25744 3228 1 12 . 1 1 45 45 GLY CA C 45 44.622 44.622 45.659 -1.037 25744 3229 1 12 . 1 1 45 45 GLY H H 45 8.015 8.015 8.096 -0.081 25744 3230 1 12 . 1 1 46 46 VAL N N 46 122.532 122.532 121.582 0.950 25744 3231 1 12 . 1 1 46 46 VAL CA C 46 60.910 60.910 62.849 -1.939 25744 3232 1 12 . 1 1 46 46 VAL CB C 46 34.444 34.444 32.066 2.378 25744 3233 1 12 . 1 1 46 46 VAL H H 46 7.854 7.854 7.826 0.028 25744 3234 1 12 . 1 1 47 47 GLY N N 47 114.605 114.605 112.934 1.671 25744 3235 1 12 . 1 1 47 47 GLY CA C 47 45.230 45.230 45.261 -0.031 25744 3236 1 12 . 1 1 48 48 ASN N N 48 121.458 121.458 121.263 0.195 25744 3237 1 12 . 1 1 48 48 ASN CA C 48 57.494 57.494 56.942 0.552 25744 3238 1 12 . 1 1 48 48 ASN CB C 48 31.011 31.011 36.061 -5.050 25744 3239 1 12 . 1 1 48 48 ASN H H 48 8.500 8.500 8.513 -0.013 25744 3240 1 12 . 1 1 49 49 PRO CA C 49 64.978 64.978 64.427 0.551 25744 3241 1 12 . 1 1 49 49 PRO CB C 49 30.885 30.885 30.375 0.510 25744 3242 1 12 . 1 1 50 50 ALA N N 50 110.593 110.593 121.844 -11.251 25744 3243 1 12 . 1 1 50 50 ALA CA C 50 53.171 53.171 54.294 -1.123 25744 3244 1 12 . 1 1 50 50 ALA CB C 50 18.404 18.404 18.296 0.108 25744 3245 1 12 . 1 1 50 50 ALA H H 50 7.787 7.787 7.153 0.634 25744 3246 1 12 . 1 1 51 51 ALA N N 51 118.962 118.962 120.739 -1.777 25744 3247 1 12 . 1 1 51 51 ALA CA C 51 51.037 51.037 52.232 -1.195 25744 3248 1 12 . 1 1 51 51 ALA CB C 51 19.507 19.507 19.720 -0.213 25744 3249 1 12 . 1 1 51 51 ALA H H 51 7.436 7.436 7.657 -0.221 25744 3250 1 12 . 1 1 52 52 ALA N N 52 122.852 122.852 122.777 0.075 25744 3251 1 12 . 1 1 52 52 ALA CA C 52 50.682 50.682 52.183 -1.501 25744 3252 1 12 . 1 1 52 52 ALA CB C 52 20.654 20.654 18.189 2.465 25744 3253 1 12 . 1 1 52 52 ALA H H 52 7.080 7.080 7.987 -0.907 25744 3254 1 12 . 1 1 53 53 SER N N 53 119.459 119.459 120.436 -0.977 25744 3255 1 12 . 1 1 53 53 SER CA C 53 57.437 57.437 57.610 -0.173 25744 3256 1 12 . 1 1 53 53 SER CB C 53 64.914 64.914 64.040 0.874 25744 3257 1 12 . 1 1 53 53 SER H H 53 8.916 8.916 8.388 0.528 25744 3258 1 12 . 1 1 54 54 ARG N N 54 122.357 122.357 123.587 -1.230 25744 3259 1 12 . 1 1 54 54 ARG CA C 54 59.334 59.334 59.625 -0.291 25744 3260 1 12 . 1 1 54 54 ARG CB C 54 29.111 29.111 29.064 0.047 25744 3261 1 12 . 1 1 54 54 ARG H H 54 8.791 8.791 8.568 0.223 25744 3262 1 12 . 1 1 55 55 GLU N N 55 114.989 114.989 117.767 -2.778 25744 3263 1 12 . 1 1 55 55 GLU CA C 55 61.348 61.348 58.882 2.466 25744 3264 1 12 . 1 1 55 55 GLU CB C 55 28.756 28.756 29.346 -0.590 25744 3265 1 12 . 1 1 55 55 GLU H H 55 8.214 8.214 8.273 -0.059 25744 3266 1 12 . 1 1 56 56 GLN N N 56 121.065 121.065 119.604 1.461 25744 3267 1 12 . 1 1 56 56 GLN CA C 56 58.504 58.504 58.596 -0.092 25744 3268 1 12 . 1 1 56 56 GLN CB C 56 29.704 29.704 28.549 1.155 25744 3269 1 12 . 1 1 56 56 GLN H H 56 7.975 7.975 7.579 0.396 25744 3270 1 12 . 1 1 57 57 GLN N N 57 120.192 120.192 119.721 0.471 25744 3271 1 12 . 1 1 57 57 GLN CA C 57 60.400 60.400 58.510 1.890 25744 3272 1 12 . 1 1 57 57 GLN CB C 57 30.178 30.178 28.775 1.403 25744 3273 1 12 . 1 1 57 57 GLN H H 57 8.492 8.492 8.354 0.138 25744 3274 1 12 . 1 1 58 58 ILE N N 58 120.157 120.157 116.489 3.668 25744 3275 1 12 . 1 1 58 58 ILE CA C 58 65.952 65.952 64.291 1.661 25744 3276 1 12 . 1 1 58 58 ILE CB C 58 37.747 37.747 36.637 1.110 25744 3277 1 12 . 1 1 58 58 ILE H H 58 8.347 8.347 8.064 0.283 25744 3278 1 12 . 1 1 59 59 ALA N N 59 121.345 121.345 121.987 -0.642 25744 3279 1 12 . 1 1 59 59 ALA CA C 59 55.304 55.304 55.303 0.001 25744 3280 1 12 . 1 1 59 59 ALA CB C 59 17.970 17.970 17.877 0.093 25744 3281 1 12 . 1 1 59 59 ALA H H 59 7.657 7.657 7.545 0.112 25744 3282 1 12 . 1 1 60 60 VAL N N 60 117.152 117.152 118.825 -1.673 25744 3283 1 12 . 1 1 60 60 VAL CA C 60 66.208 66.208 65.151 1.057 25744 3284 1 12 . 1 1 60 60 VAL CB C 60 31.481 31.481 30.356 1.125 25744 3285 1 12 . 1 1 60 60 VAL H H 60 7.144 7.144 7.521 -0.377 25744 3286 1 12 . 1 1 61 61 ALA N N 61 123.936 123.936 121.968 1.968 25744 3287 1 12 . 1 1 61 61 ALA CA C 61 56.371 56.371 55.321 1.050 25744 3288 1 12 . 1 1 61 61 ALA CB C 61 16.482 16.482 18.279 -1.797 25744 3289 1 12 . 1 1 61 61 ALA H H 61 8.225 8.225 8.639 -0.414 25744 3290 1 12 . 1 1 62 62 ASN N N 62 114.116 114.116 116.931 -2.815 25744 3291 1 12 . 1 1 62 62 ASN CA C 62 56.845 56.845 56.115 0.730 25744 3292 1 12 . 1 1 62 62 ASN CB C 62 38.356 38.356 38.629 -0.273 25744 3293 1 12 . 1 1 62 62 ASN H H 62 8.500 8.500 8.345 0.155 25744 3294 1 12 . 1 1 63 63 ARG N N 63 122.173 122.173 120.107 2.066 25744 3295 1 12 . 1 1 63 63 ARG CA C 63 59.926 59.926 58.562 1.363 25744 3296 1 12 . 1 1 63 63 ARG CB C 63 30.889 30.889 30.331 0.558 25744 3297 1 12 . 1 1 63 63 ARG H H 63 7.474 7.474 7.659 -0.185 25744 3298 1 12 . 1 1 64 64 VAL N N 64 121.659 121.659 120.667 0.992 25744 3299 1 12 . 1 1 64 64 VAL CA C 64 65.852 65.852 66.112 -0.260 25744 3300 1 12 . 1 1 64 64 VAL CB C 64 31.718 31.718 31.132 0.586 25744 3301 1 12 . 1 1 64 64 VAL H H 64 8.107 8.107 8.416 -0.309 25744 3302 1 12 . 1 1 65 65 LEU N N 65 120.681 120.681 119.048 1.633 25744 3303 1 12 . 1 1 65 65 LEU CA C 65 57.556 57.556 58.912 -1.356 25744 3304 1 12 . 1 1 65 65 LEU CB C 65 43.333 43.333 40.791 2.542 25744 3305 1 12 . 1 1 65 65 LEU H H 65 8.948 8.948 8.303 0.645 25744 3306 1 12 . 1 1 66 66 ALA N N 66 118.509 118.509 121.480 -2.971 25744 3307 1 12 . 1 1 66 66 ALA CA C 66 54.830 54.830 54.718 0.112 25744 3308 1 12 . 1 1 66 66 ALA CB C 66 19.155 19.155 18.161 0.994 25744 3309 1 12 . 1 1 66 66 ALA H H 66 7.390 7.390 7.764 -0.374 25744 3310 1 12 . 1 1 67 67 GLU N N 67 114.309 114.309 119.018 -4.709 25744 3311 1 12 . 1 1 67 67 GLU CA C 67 57.700 57.700 58.614 -0.914 25744 3312 1 12 . 1 1 67 67 GLU CB C 67 32.531 32.531 30.095 2.436 25744 3313 1 12 . 1 1 67 67 GLU H H 67 7.369 7.369 7.940 -0.571 25744 3314 1 12 . 1 1 68 68 GLN N N 68 116.281 116.281 116.378 -0.097 25744 3315 1 12 . 1 1 68 68 GLN CA C 68 55.778 55.778 55.529 0.249 25744 3316 1 12 . 1 1 68 68 GLN CB C 68 30.889 30.889 31.608 -0.719 25744 3317 1 12 . 1 1 68 68 GLN H H 68 8.914 8.914 7.880 1.034 25744 3318 1 12 . 1 1 69 69 GLY N N 69 109.577 109.577 107.925 1.652 25744 3319 1 12 . 1 1 69 69 GLY CA C 69 45.941 45.941 44.626 1.315 25744 3320 1 12 . 1 1 69 69 GLY H H 69 8.134 8.134 8.023 0.111 25744 3321 1 12 . 1 1 70 70 LEU N N 70 121.331 121.331 116.397 4.934 25744 3322 1 12 . 1 1 70 70 LEU CA C 70 54.522 54.522 56.725 -2.203 25744 3323 1 12 . 1 1 70 70 LEU CB C 70 41.954 41.954 41.676 0.278 25744 3324 1 12 . 1 1 70 70 LEU H H 70 8.519 8.519 8.583 -0.064 25744 3325 1 12 . 1 1 71 71 ASP N N 71 120.681 120.681 121.614 -0.933 25744 3326 1 12 . 1 1 71 71 ASP CA C 71 57.082 57.082 57.449 -0.367 25744 3327 1 12 . 1 1 71 71 ASP CB C 71 40.844 40.844 40.449 0.395 25744 3328 1 12 . 1 1 71 71 ASP H H 71 7.718 7.718 8.242 -0.524 25744 3329 1 12 . 1 1 72 72 ALA N N 72 119.110 119.110 121.579 -2.469 25744 3330 1 12 . 1 1 72 72 ALA CA C 72 53.289 53.289 53.405 -0.116 25744 3331 1 12 . 1 1 72 72 ALA CB C 72 15.885 15.885 18.753 -2.868 25744 3332 1 12 . 1 1 72 72 ALA H H 72 8.009 8.009 7.524 0.485 25744 3333 1 12 . 1 1 73 73 TRP N N 73 117.503 117.503 118.491 -0.988 25744 3334 1 12 . 1 1 73 73 TRP CA C 73 56.963 56.963 54.564 2.399 25744 3335 1 12 . 1 1 73 73 TRP CB C 73 28.163 28.163 29.602 -1.439 25744 3336 1 12 . 1 1 73 73 TRP H H 73 7.791 7.791 7.749 0.042 25744 3337 1 12 . 1 1 74 74 PRO CA C 74 65.586 65.586 64.724 0.862 25744 3338 1 12 . 1 1 74 74 PRO CB C 74 32.234 32.234 32.333 -0.099 25744 3339 1 12 . 1 1 75 75 THR N N 75 111.008 111.008 111.259 -0.251 25744 3340 1 12 . 1 1 75 75 THR CA C 75 63.482 63.482 63.333 0.149 25744 3341 1 12 . 1 1 75 75 THR CB C 75 68.815 68.815 68.520 0.295 25744 3342 1 12 . 1 1 75 75 THR H H 75 8.197 8.197 8.821 -0.624 25744 3343 1 12 . 1 1 76 76 CYS N N 76 119.131 119.131 119.635 -0.504 25744 3344 1 12 . 1 1 76 76 CYS CA C 76 54.853 54.853 58.217 -3.364 25744 3345 1 12 . 1 1 76 76 CYS CB C 76 39.280 39.280 30.068 9.212 25744 3346 1 12 . 1 1 76 76 CYS H H 76 8.144 8.144 8.142 0.002 25744 3347 1 12 . 1 1 77 77 GLY N N 77 110.834 110.834 108.253 2.581 25744 3348 1 12 . 1 1 77 77 GLY CA C 77 48.430 48.430 45.071 3.359 25744 3349 1 12 . 1 1 77 77 GLY H H 77 8.774 8.774 8.023 0.751 25744 3350 1 12 . 1 1 78 78 ALA N N 78 123.300 123.300 126.382 -3.082 25744 3351 1 12 . 1 1 78 78 ALA CA C 78 53.882 53.882 53.415 0.467 25744 3352 1 12 . 1 1 78 78 ALA CB C 78 18.563 18.563 16.488 2.075 25744 3353 1 12 . 1 1 78 78 ALA H H 78 8.142 8.142 7.709 0.433 25744 3354 1 12 . 1 1 80 80 SER N N 80 111.423 111.423 111.203 0.220 25744 3355 1 12 . 1 1 80 80 SER CA C 80 59.723 59.723 58.662 1.061 25744 3356 1 12 . 1 1 80 80 SER CB C 80 63.648 63.648 64.380 -0.732 25744 3357 1 12 . 1 1 80 80 SER H H 80 7.742 7.742 7.717 0.025 25744 3358 1 12 . 1 1 81 81 GLY N N 81 111.317 111.317 110.767 0.550 25744 3359 1 12 . 1 1 81 81 GLY CA C 81 45.430 45.430 46.233 -0.802 25744 3360 1 12 . 1 1 81 81 GLY H H 81 7.562 7.562 8.147 -0.585 25744 3361 1 13 . 1 1 4 4 GLY N N 4 110.205 110.205 109.226 0.979 25744 3362 1 13 . 1 1 4 4 GLY CA C 4 44.519 44.519 45.102 -0.583 25744 3363 1 13 . 1 1 4 4 GLY H H 4 8.067 8.067 8.363 -0.296 25744 3364 1 13 . 1 1 5 5 PRO CA C 5 63.030 63.030 62.837 0.193 25744 3365 1 13 . 1 1 5 5 PRO CB C 5 32.458 32.458 31.947 0.511 25744 3366 1 13 . 1 1 6 6 SER N N 6 116.630 116.630 119.921 -3.291 25744 3367 1 13 . 1 1 6 6 SER CA C 6 56.015 56.015 57.663 -1.648 25744 3368 1 13 . 1 1 6 6 SER CB C 6 63.363 63.363 63.416 -0.053 25744 3369 1 13 . 1 1 6 6 SER H H 6 8.304 8.304 8.308 -0.004 25744 3370 1 13 . 1 1 7 7 PRO CA C 7 62.430 62.430 62.958 -0.528 25744 3371 1 13 . 1 1 7 7 PRO CB C 7 30.960 30.960 31.928 -0.968 25744 3372 1 13 . 1 1 8 8 ASN N N 8 120.122 120.122 121.798 -1.676 25744 3373 1 13 . 1 1 8 8 ASN CA C 8 50.800 50.800 51.919 -1.119 25744 3374 1 13 . 1 1 8 8 ASN CB C 8 36.222 36.222 39.316 -3.094 25744 3375 1 13 . 1 1 8 8 ASN H H 8 8.667 8.667 8.569 0.098 25744 3376 1 13 . 1 1 9 9 TRP N N 9 123.684 123.684 126.299 -2.615 25744 3377 1 13 . 1 1 9 9 TRP CA C 9 59.215 59.215 60.908 -1.693 25744 3378 1 13 . 1 1 9 9 TRP CB C 9 30.780 30.780 29.721 1.059 25744 3379 1 13 . 1 1 9 9 TRP H H 9 7.691 7.691 8.988 -1.297 25744 3380 1 13 . 1 1 10 10 ASP N N 10 118.132 118.132 119.107 -0.975 25744 3381 1 13 . 1 1 10 10 ASP CA C 10 58.622 58.622 57.620 1.002 25744 3382 1 13 . 1 1 10 10 ASP CB C 10 40.844 40.844 40.659 0.185 25744 3383 1 13 . 1 1 10 10 ASP H H 10 8.320 8.320 8.335 -0.015 25744 3384 1 13 . 1 1 11 11 ALA N N 11 124.299 124.299 121.701 2.598 25744 3385 1 13 . 1 1 11 11 ALA CA C 11 54.593 54.593 54.953 -0.360 25744 3386 1 13 . 1 1 11 11 ALA CB C 11 18.681 18.681 18.615 0.066 25744 3387 1 13 . 1 1 11 11 ALA H H 11 7.395 7.395 7.873 -0.478 25744 3388 1 13 . 1 1 12 12 VAL N N 12 120.997 120.997 118.242 2.755 25744 3389 1 13 . 1 1 12 12 VAL CA C 12 66.682 66.682 66.049 0.633 25744 3390 1 13 . 1 1 12 12 VAL CB C 12 31.481 31.481 30.247 1.234 25744 3391 1 13 . 1 1 12 12 VAL H H 12 7.464 7.464 7.942 -0.478 25744 3392 1 13 . 1 1 13 13 ALA N N 13 121.205 121.205 121.764 -0.559 25744 3393 1 13 . 1 1 13 13 ALA CA C 13 54.711 54.711 55.224 -0.513 25744 3394 1 13 . 1 1 13 13 ALA CB C 13 18.918 18.918 17.771 1.147 25744 3395 1 13 . 1 1 13 13 ALA H H 13 8.523 8.523 7.945 0.578 25744 3396 1 13 . 1 1 14 14 GLN N N 14 120.926 120.926 116.634 4.292 25744 3397 1 13 . 1 1 14 14 GLN CA C 14 58.978 58.978 57.735 1.243 25744 3398 1 13 . 1 1 14 14 GLN CB C 14 27.689 27.689 28.733 -1.044 25744 3399 1 13 . 1 1 14 14 GLN H H 14 8.046 8.046 8.118 -0.072 25744 3400 1 13 . 1 1 15 15 CYS N N 15 118.916 118.916 116.882 2.034 25744 3401 1 13 . 1 1 15 15 CYS CA C 15 59.334 59.334 59.128 0.206 25744 3402 1 13 . 1 1 15 15 CYS CB C 15 35.748 35.748 28.378 7.370 25744 3403 1 13 . 1 1 15 15 CYS H H 15 7.108 7.108 7.571 -0.463 25744 3404 1 13 . 1 1 16 16 GLU N N 16 120.227 120.227 119.027 1.200 25744 3405 1 13 . 1 1 16 16 GLU CA C 16 58.978 58.978 57.309 1.669 25744 3406 1 13 . 1 1 16 16 GLU CB C 16 30.051 30.051 31.412 -1.361 25744 3407 1 13 . 1 1 16 16 GLU H H 16 8.776 8.776 8.469 0.307 25744 3408 1 13 . 1 1 17 17 SER N N 17 109.577 109.577 111.852 -2.275 25744 3409 1 13 . 1 1 17 17 SER CA C 17 57.771 57.771 58.053 -0.282 25744 3410 1 13 . 1 1 17 17 SER CB C 17 66.563 66.563 66.122 0.441 25744 3411 1 13 . 1 1 17 17 SER H H 17 8.467 8.467 8.353 0.114 25744 3412 1 13 . 1 1 18 18 GLY N N 18 113.669 113.669 110.651 3.018 25744 3413 1 13 . 1 1 18 18 GLY CA C 18 46.652 46.652 45.682 0.970 25744 3414 1 13 . 1 1 18 18 GLY H H 18 7.598 7.598 8.128 -0.530 25744 3415 1 13 . 1 1 19 19 GLY N N 19 106.884 106.884 107.352 -0.468 25744 3416 1 13 . 1 1 19 19 GLY CA C 19 45.467 45.467 45.392 0.075 25744 3417 1 13 . 1 1 19 19 GLY H H 19 7.476 7.476 8.038 -0.562 25744 3418 1 13 . 1 1 20 20 ASN N N 20 116.428 116.428 123.390 -6.962 25744 3419 1 13 . 1 1 20 20 ASN CA C 20 50.445 50.445 54.048 -3.603 25744 3420 1 13 . 1 1 20 20 ASN CB C 20 38.510 38.510 37.524 0.986 25744 3421 1 13 . 1 1 20 20 ASN H H 20 6.580 6.580 8.450 -1.870 25744 3422 1 13 . 1 1 21 21 TRP N N 21 124.313 124.313 125.822 -1.509 25744 3423 1 13 . 1 1 21 21 TRP CA C 21 60.400 60.400 61.647 -1.247 25744 3424 1 13 . 1 1 21 21 TRP CB C 21 27.689 27.689 29.338 -1.649 25744 3425 1 13 . 1 1 21 21 TRP H H 21 8.262 8.262 8.125 0.137 25744 3426 1 13 . 1 1 22 22 ALA N N 22 120.192 120.192 117.652 2.540 25744 3427 1 13 . 1 1 22 22 ALA CA C 22 50.208 50.208 51.454 -1.246 25744 3428 1 13 . 1 1 22 22 ALA CB C 22 19.037 19.037 17.242 1.794 25744 3429 1 13 . 1 1 22 22 ALA H H 22 7.668 7.668 8.073 -0.405 25744 3430 1 13 . 1 1 23 23 ALA N N 23 121.314 121.314 121.863 -0.549 25744 3431 1 13 . 1 1 23 23 ALA CA C 23 54.711 54.711 52.636 2.075 25744 3432 1 13 . 1 1 23 23 ALA CB C 23 18.701 18.701 17.497 1.204 25744 3433 1 13 . 1 1 23 23 ALA H H 23 6.929 6.929 7.591 -0.662 25744 3434 1 13 . 1 1 24 24 ASN N N 24 119.494 119.494 120.994 -1.500 25744 3435 1 13 . 1 1 24 24 ASN CA C 24 52.459 52.459 54.295 -1.836 25744 3436 1 13 . 1 1 24 24 ASN CB C 24 37.170 37.170 38.348 -1.178 25744 3437 1 13 . 1 1 24 24 ASN H H 24 8.678 8.678 8.928 -0.251 25744 3438 1 13 . 1 1 25 25 THR N N 25 113.697 113.697 112.118 1.579 25744 3439 1 13 . 1 1 25 25 THR CA C 25 61.941 61.941 61.771 0.170 25744 3440 1 13 . 1 1 25 25 THR CB C 25 69.171 69.171 69.306 -0.135 25744 3441 1 13 . 1 1 25 25 THR H H 25 9.174 9.174 8.022 1.152 25744 3442 1 13 . 1 1 26 26 GLY N N 26 110.554 110.554 111.359 -0.805 25744 3443 1 13 . 1 1 26 26 GLY CA C 26 45.822 45.822 45.290 0.532 25744 3444 1 13 . 1 1 26 26 GLY H H 26 8.381 8.381 8.009 0.372 25744 3445 1 13 . 1 1 27 27 ASN N N 27 118.272 118.272 118.018 0.254 25744 3446 1 13 . 1 1 27 27 ASN CA C 27 51.985 51.985 52.840 -0.855 25744 3447 1 13 . 1 1 27 27 ASN CB C 27 37.436 37.436 38.529 -1.093 25744 3448 1 13 . 1 1 27 27 ASN H H 27 7.718 7.718 8.229 -0.511 25744 3449 1 13 . 1 1 28 28 GLY N N 28 108.669 108.669 105.999 2.670 25744 3450 1 13 . 1 1 28 28 GLY CA C 28 45.348 45.348 45.705 -0.357 25744 3451 1 13 . 1 1 28 28 GLY H H 28 8.287 8.287 8.415 -0.128 25744 3452 1 13 . 1 1 29 29 LYS N N 29 116.881 116.881 118.248 -1.367 25744 3453 1 13 . 1 1 29 29 LYS CA C 29 54.119 54.119 54.794 -0.675 25744 3454 1 13 . 1 1 29 29 LYS CB C 29 35.184 35.184 35.531 -0.346 25744 3455 1 13 . 1 1 29 29 LYS H H 29 7.256 7.256 7.343 -0.087 25744 3456 1 13 . 1 1 30 30 TYR N N 30 115.548 115.548 117.693 -2.145 25744 3457 1 13 . 1 1 30 30 TYR CA C 30 58.148 58.148 57.760 0.388 25744 3458 1 13 . 1 1 30 30 TYR CB C 30 44.163 44.163 42.160 2.003 25744 3459 1 13 . 1 1 30 30 TYR H H 30 8.421 8.421 8.347 0.074 25744 3460 1 13 . 1 1 31 31 GLY N N 31 110.774 110.774 108.062 2.712 25744 3461 1 13 . 1 1 31 31 GLY CA C 31 44.767 44.767 45.849 -1.082 25744 3462 1 13 . 1 1 31 31 GLY H H 31 9.969 9.969 8.659 1.310 25744 3463 1 13 . 1 1 32 32 GLY N N 32 109.262 109.262 106.260 3.002 25744 3464 1 13 . 1 1 32 32 GLY CA C 32 46.193 46.193 45.471 0.722 25744 3465 1 13 . 1 1 32 32 GLY H H 32 9.008 9.008 8.378 0.630 25744 3466 1 13 . 1 1 33 33 LEU N N 33 115.269 115.269 120.965 -5.696 25744 3467 1 13 . 1 1 33 33 LEU CA C 33 52.815 52.815 53.525 -0.710 25744 3468 1 13 . 1 1 33 33 LEU CB C 33 41.556 41.556 41.861 -0.305 25744 3469 1 13 . 1 1 33 33 LEU H H 33 7.843 7.843 7.284 0.559 25744 3470 1 13 . 1 1 34 34 GLN N N 34 112.176 112.176 115.843 -3.667 25744 3471 1 13 . 1 1 34 34 GLN CA C 34 55.304 55.304 56.743 -1.439 25744 3472 1 13 . 1 1 34 34 GLN CB C 34 27.333 27.333 26.638 0.695 25744 3473 1 13 . 1 1 34 34 GLN H H 34 7.321 7.321 8.115 -0.794 25744 3474 1 13 . 1 1 35 35 PHE N N 35 116.246 116.246 121.458 -5.212 25744 3475 1 13 . 1 1 35 35 PHE CA C 35 59.334 59.334 57.066 2.268 25744 3476 1 13 . 1 1 35 35 PHE CB C 35 41.793 41.793 39.904 1.889 25744 3477 1 13 . 1 1 35 35 PHE H H 35 7.708 7.708 8.034 -0.326 25744 3478 1 13 . 1 1 36 36 LYS N N 36 122.039 122.039 128.510 -6.471 25744 3479 1 13 . 1 1 36 36 LYS CA C 36 54.711 54.711 56.528 -1.817 25744 3480 1 13 . 1 1 36 36 LYS CB C 36 32.193 32.193 31.941 0.252 25744 3481 1 13 . 1 1 36 36 LYS H H 36 9.110 9.110 8.647 0.463 25744 3482 1 13 . 1 1 37 37 PRO CA C 37 66.626 66.626 65.584 1.042 25744 3483 1 13 . 1 1 37 37 PRO CB C 37 32.234 32.234 31.954 0.280 25744 3484 1 13 . 1 1 39 39 THR N N 39 115.976 115.976 114.124 1.852 25744 3485 1 13 . 1 1 39 39 THR CA C 39 65.971 65.971 65.462 0.509 25744 3486 1 13 . 1 1 39 39 THR CB C 39 69.550 69.550 68.895 0.655 25744 3487 1 13 . 1 1 39 39 THR H H 39 7.046 7.046 7.701 -0.655 25744 3488 1 13 . 1 1 40 40 TRP N N 40 120.053 120.053 123.831 -3.778 25744 3489 1 13 . 1 1 40 40 TRP CA C 40 60.163 60.163 59.760 0.403 25744 3490 1 13 . 1 1 40 40 TRP CB C 40 30.317 30.317 29.454 0.862 25744 3491 1 13 . 1 1 40 40 TRP H H 40 7.810 7.810 8.204 -0.394 25744 3492 1 13 . 1 1 41 41 ALA N N 41 117.049 117.049 121.853 -4.804 25744 3493 1 13 . 1 1 41 41 ALA CA C 41 54.119 54.119 54.977 -0.858 25744 3494 1 13 . 1 1 41 41 ALA CB C 41 18.800 18.800 17.754 1.046 25744 3495 1 13 . 1 1 41 41 ALA H H 41 8.117 8.117 8.436 -0.319 25744 3496 1 13 . 1 1 42 42 ALA N N 42 120.416 120.416 121.960 -1.544 25744 3497 1 13 . 1 1 42 42 ALA CA C 42 53.408 53.408 54.515 -1.107 25744 3498 1 13 . 1 1 42 42 ALA CB C 42 18.020 18.020 18.546 -0.526 25744 3499 1 13 . 1 1 42 42 ALA H H 42 7.678 7.678 7.925 -0.247 25744 3500 1 13 . 1 1 43 43 PHE N N 43 113.805 113.805 116.185 -2.380 25744 3501 1 13 . 1 1 43 43 PHE CA C 43 57.911 57.911 56.799 1.112 25744 3502 1 13 . 1 1 43 43 PHE CB C 43 38.711 38.711 38.419 0.292 25744 3503 1 13 . 1 1 43 43 PHE H H 43 7.044 7.044 7.392 -0.348 25744 3504 1 13 . 1 1 44 44 GLY N N 44 104.034 104.034 107.267 -3.233 25744 3505 1 13 . 1 1 44 44 GLY CA C 44 45.963 45.963 44.791 1.172 25744 3506 1 13 . 1 1 44 44 GLY H H 44 7.099 7.099 8.104 -1.005 25744 3507 1 13 . 1 1 45 45 GLY N N 45 110.240 110.240 108.359 1.881 25744 3508 1 13 . 1 1 45 45 GLY CA C 45 44.622 44.622 45.748 -1.126 25744 3509 1 13 . 1 1 45 45 GLY H H 45 8.015 8.015 8.131 -0.116 25744 3510 1 13 . 1 1 46 46 VAL N N 46 122.532 122.532 120.595 1.937 25744 3511 1 13 . 1 1 46 46 VAL CA C 46 60.910 60.910 62.649 -1.739 25744 3512 1 13 . 1 1 46 46 VAL CB C 46 34.444 34.444 32.151 2.292 25744 3513 1 13 . 1 1 46 46 VAL H H 46 7.854 7.854 7.784 0.070 25744 3514 1 13 . 1 1 47 47 GLY N N 47 114.605 114.605 113.240 1.365 25744 3515 1 13 . 1 1 47 47 GLY CA C 47 45.230 45.230 45.457 -0.227 25744 3516 1 13 . 1 1 48 48 ASN N N 48 121.458 121.458 121.050 0.408 25744 3517 1 13 . 1 1 48 48 ASN CA C 48 57.494 57.494 57.667 -0.173 25744 3518 1 13 . 1 1 48 48 ASN CB C 48 31.011 31.011 37.174 -6.163 25744 3519 1 13 . 1 1 48 48 ASN H H 48 8.500 8.500 8.613 -0.113 25744 3520 1 13 . 1 1 49 49 PRO CA C 49 64.978 64.978 64.544 0.434 25744 3521 1 13 . 1 1 49 49 PRO CB C 49 30.885 30.885 30.656 0.229 25744 3522 1 13 . 1 1 50 50 ALA N N 50 110.593 110.593 120.862 -10.269 25744 3523 1 13 . 1 1 50 50 ALA CA C 50 53.171 53.171 53.751 -0.579 25744 3524 1 13 . 1 1 50 50 ALA CB C 50 18.404 18.404 17.676 0.728 25744 3525 1 13 . 1 1 50 50 ALA H H 50 7.787 7.787 7.169 0.618 25744 3526 1 13 . 1 1 51 51 ALA N N 51 118.962 118.962 120.228 -1.266 25744 3527 1 13 . 1 1 51 51 ALA CA C 51 51.037 51.037 51.973 -0.936 25744 3528 1 13 . 1 1 51 51 ALA CB C 51 19.507 19.507 20.380 -0.873 25744 3529 1 13 . 1 1 51 51 ALA H H 51 7.436 7.436 7.540 -0.104 25744 3530 1 13 . 1 1 52 52 ALA N N 52 122.852 122.852 122.869 -0.017 25744 3531 1 13 . 1 1 52 52 ALA CA C 52 50.682 50.682 52.184 -1.502 25744 3532 1 13 . 1 1 52 52 ALA CB C 52 20.654 20.654 18.526 2.128 25744 3533 1 13 . 1 1 52 52 ALA H H 52 7.080 7.080 7.963 -0.883 25744 3534 1 13 . 1 1 53 53 SER N N 53 119.459 119.459 120.701 -1.242 25744 3535 1 13 . 1 1 53 53 SER CA C 53 57.437 57.437 58.198 -0.761 25744 3536 1 13 . 1 1 53 53 SER CB C 53 64.914 64.914 63.684 1.230 25744 3537 1 13 . 1 1 53 53 SER H H 53 8.916 8.916 8.463 0.453 25744 3538 1 13 . 1 1 54 54 ARG N N 54 122.357 122.357 123.450 -1.093 25744 3539 1 13 . 1 1 54 54 ARG CA C 54 59.334 59.334 59.228 0.106 25744 3540 1 13 . 1 1 54 54 ARG CB C 54 29.111 29.111 29.033 0.078 25744 3541 1 13 . 1 1 54 54 ARG H H 54 8.791 8.791 8.528 0.263 25744 3542 1 13 . 1 1 55 55 GLU N N 55 114.989 114.989 117.071 -2.082 25744 3543 1 13 . 1 1 55 55 GLU CA C 55 61.348 61.348 59.056 2.292 25744 3544 1 13 . 1 1 55 55 GLU CB C 55 28.756 28.756 28.987 -0.231 25744 3545 1 13 . 1 1 55 55 GLU H H 55 8.214 8.214 8.441 -0.227 25744 3546 1 13 . 1 1 56 56 GLN N N 56 121.065 121.065 119.248 1.817 25744 3547 1 13 . 1 1 56 56 GLN CA C 56 58.504 58.504 58.325 0.179 25744 3548 1 13 . 1 1 56 56 GLN CB C 56 29.704 29.704 28.422 1.282 25744 3549 1 13 . 1 1 56 56 GLN H H 56 7.975 7.975 7.492 0.483 25744 3550 1 13 . 1 1 57 57 GLN N N 57 120.192 120.192 119.657 0.535 25744 3551 1 13 . 1 1 57 57 GLN CA C 57 60.400 60.400 58.093 2.307 25744 3552 1 13 . 1 1 57 57 GLN CB C 57 30.178 30.178 28.616 1.562 25744 3553 1 13 . 1 1 57 57 GLN H H 57 8.492 8.492 8.434 0.058 25744 3554 1 13 . 1 1 58 58 ILE N N 58 120.157 120.157 116.062 4.095 25744 3555 1 13 . 1 1 58 58 ILE CA C 58 65.952 65.952 64.299 1.653 25744 3556 1 13 . 1 1 58 58 ILE CB C 58 37.747 37.747 36.442 1.305 25744 3557 1 13 . 1 1 58 58 ILE H H 58 8.347 8.347 8.112 0.235 25744 3558 1 13 . 1 1 59 59 ALA N N 59 121.345 121.345 122.094 -0.749 25744 3559 1 13 . 1 1 59 59 ALA CA C 59 55.304 55.304 55.243 0.061 25744 3560 1 13 . 1 1 59 59 ALA CB C 59 17.970 17.970 17.922 0.048 25744 3561 1 13 . 1 1 59 59 ALA H H 59 7.657 7.657 7.635 0.022 25744 3562 1 13 . 1 1 60 60 VAL N N 60 117.152 117.152 118.844 -1.692 25744 3563 1 13 . 1 1 60 60 VAL CA C 60 66.208 66.208 65.227 0.981 25744 3564 1 13 . 1 1 60 60 VAL CB C 60 31.481 31.481 30.442 1.040 25744 3565 1 13 . 1 1 60 60 VAL H H 60 7.144 7.144 7.499 -0.355 25744 3566 1 13 . 1 1 61 61 ALA N N 61 123.936 123.936 122.266 1.670 25744 3567 1 13 . 1 1 61 61 ALA CA C 61 56.371 56.371 55.587 0.784 25744 3568 1 13 . 1 1 61 61 ALA CB C 61 16.482 16.482 18.416 -1.935 25744 3569 1 13 . 1 1 61 61 ALA H H 61 8.225 8.225 8.745 -0.520 25744 3570 1 13 . 1 1 62 62 ASN N N 62 114.116 114.116 117.259 -3.143 25744 3571 1 13 . 1 1 62 62 ASN CA C 62 56.845 56.845 56.533 0.312 25744 3572 1 13 . 1 1 62 62 ASN CB C 62 38.356 38.356 38.750 -0.394 25744 3573 1 13 . 1 1 62 62 ASN H H 62 8.500 8.500 8.513 -0.013 25744 3574 1 13 . 1 1 63 63 ARG N N 63 122.173 122.173 119.643 2.530 25744 3575 1 13 . 1 1 63 63 ARG CA C 63 59.926 59.926 58.781 1.145 25744 3576 1 13 . 1 1 63 63 ARG CB C 63 30.889 30.889 30.721 0.168 25744 3577 1 13 . 1 1 63 63 ARG H H 63 7.474 7.474 7.675 -0.201 25744 3578 1 13 . 1 1 64 64 VAL N N 64 121.659 121.659 121.422 0.237 25744 3579 1 13 . 1 1 64 64 VAL CA C 64 65.852 65.852 65.931 -0.079 25744 3580 1 13 . 1 1 64 64 VAL CB C 64 31.718 31.718 31.190 0.528 25744 3581 1 13 . 1 1 64 64 VAL H H 64 8.107 8.107 8.648 -0.541 25744 3582 1 13 . 1 1 65 65 LEU N N 65 120.681 120.681 120.623 0.058 25744 3583 1 13 . 1 1 65 65 LEU CA C 65 57.556 57.556 59.112 -1.556 25744 3584 1 13 . 1 1 65 65 LEU CB C 65 43.333 43.333 41.193 2.140 25744 3585 1 13 . 1 1 65 65 LEU H H 65 8.948 8.948 8.398 0.550 25744 3586 1 13 . 1 1 66 66 ALA N N 66 118.509 118.509 121.036 -2.527 25744 3587 1 13 . 1 1 66 66 ALA CA C 66 54.830 54.830 54.549 0.281 25744 3588 1 13 . 1 1 66 66 ALA CB C 66 19.155 19.155 18.190 0.965 25744 3589 1 13 . 1 1 66 66 ALA H H 66 7.390 7.390 7.843 -0.454 25744 3590 1 13 . 1 1 67 67 GLU N N 67 114.309 114.309 119.215 -4.906 25744 3591 1 13 . 1 1 67 67 GLU CA C 67 57.700 57.700 58.670 -0.970 25744 3592 1 13 . 1 1 67 67 GLU CB C 67 32.531 32.531 29.850 2.681 25744 3593 1 13 . 1 1 67 67 GLU H H 67 7.369 7.369 7.937 -0.568 25744 3594 1 13 . 1 1 68 68 GLN N N 68 116.281 116.281 116.378 -0.097 25744 3595 1 13 . 1 1 68 68 GLN CA C 68 55.778 55.778 55.038 0.739 25744 3596 1 13 . 1 1 68 68 GLN CB C 68 30.889 30.889 31.049 -0.161 25744 3597 1 13 . 1 1 68 68 GLN H H 68 8.914 8.914 7.821 1.093 25744 3598 1 13 . 1 1 69 69 GLY N N 69 109.577 109.577 107.566 2.011 25744 3599 1 13 . 1 1 69 69 GLY CA C 69 45.941 45.941 44.495 1.446 25744 3600 1 13 . 1 1 69 69 GLY H H 69 8.134 8.134 7.867 0.267 25744 3601 1 13 . 1 1 70 70 LEU N N 70 121.331 121.331 117.913 3.418 25744 3602 1 13 . 1 1 70 70 LEU CA C 70 54.522 54.522 57.702 -3.180 25744 3603 1 13 . 1 1 70 70 LEU CB C 70 41.954 41.954 41.373 0.581 25744 3604 1 13 . 1 1 70 70 LEU H H 70 8.519 8.519 8.668 -0.149 25744 3605 1 13 . 1 1 71 71 ASP N N 71 120.681 120.681 119.969 0.712 25744 3606 1 13 . 1 1 71 71 ASP CA C 71 57.082 57.082 56.041 1.041 25744 3607 1 13 . 1 1 71 71 ASP CB C 71 40.844 40.844 39.869 0.975 25744 3608 1 13 . 1 1 71 71 ASP H H 71 7.718 7.718 8.072 -0.354 25744 3609 1 13 . 1 1 72 72 ALA N N 72 119.110 119.110 122.804 -3.694 25744 3610 1 13 . 1 1 72 72 ALA CA C 72 53.289 53.289 53.742 -0.453 25744 3611 1 13 . 1 1 72 72 ALA CB C 72 15.885 15.885 18.637 -2.752 25744 3612 1 13 . 1 1 72 72 ALA H H 72 8.009 8.009 7.817 0.192 25744 3613 1 13 . 1 1 73 73 TRP N N 73 117.503 117.503 117.328 0.175 25744 3614 1 13 . 1 1 73 73 TRP CA C 73 56.963 56.963 54.178 2.785 25744 3615 1 13 . 1 1 73 73 TRP CB C 73 28.163 28.163 29.755 -1.592 25744 3616 1 13 . 1 1 73 73 TRP H H 73 7.791 7.791 7.535 0.256 25744 3617 1 13 . 1 1 74 74 PRO CA C 74 65.586 65.586 64.513 1.073 25744 3618 1 13 . 1 1 74 74 PRO CB C 74 32.234 32.234 31.934 0.300 25744 3619 1 13 . 1 1 75 75 THR N N 75 111.008 111.008 108.807 2.201 25744 3620 1 13 . 1 1 75 75 THR CA C 75 63.482 63.482 61.770 1.712 25744 3621 1 13 . 1 1 75 75 THR CB C 75 68.815 68.815 68.854 -0.039 25744 3622 1 13 . 1 1 75 75 THR H H 75 8.197 8.197 8.290 -0.093 25744 3623 1 13 . 1 1 76 76 CYS N N 76 119.131 119.131 121.276 -2.145 25744 3624 1 13 . 1 1 76 76 CYS CA C 76 54.853 54.853 59.981 -5.128 25744 3625 1 13 . 1 1 76 76 CYS CB C 76 39.280 39.280 27.500 11.780 25744 3626 1 13 . 1 1 76 76 CYS H H 76 8.144 8.144 8.170 -0.026 25744 3627 1 13 . 1 1 77 77 GLY N N 77 110.834 110.834 108.920 1.914 25744 3628 1 13 . 1 1 77 77 GLY CA C 77 48.430 48.430 44.224 4.206 25744 3629 1 13 . 1 1 77 77 GLY H H 77 8.774 8.774 7.986 0.788 25744 3630 1 13 . 1 1 78 78 ALA N N 78 123.300 123.300 126.747 -3.447 25744 3631 1 13 . 1 1 78 78 ALA CA C 78 53.882 53.882 53.321 0.561 25744 3632 1 13 . 1 1 78 78 ALA CB C 78 18.563 18.563 17.202 1.361 25744 3633 1 13 . 1 1 78 78 ALA H H 78 8.142 8.142 7.766 0.376 25744 3634 1 13 . 1 1 80 80 SER N N 80 111.423 111.423 110.620 0.803 25744 3635 1 13 . 1 1 80 80 SER CA C 80 59.723 59.723 58.102 1.621 25744 3636 1 13 . 1 1 80 80 SER CB C 80 63.648 63.648 64.791 -1.143 25744 3637 1 13 . 1 1 80 80 SER H H 80 7.742 7.742 7.803 -0.061 25744 3638 1 13 . 1 1 81 81 GLY N N 81 111.317 111.317 109.691 1.626 25744 3639 1 13 . 1 1 81 81 GLY CA C 81 45.430 45.430 45.641 -0.211 25744 3640 1 13 . 1 1 81 81 GLY H H 81 7.562 7.562 7.769 -0.207 25744 3641 1 14 . 1 1 4 4 GLY N N 4 110.205 110.205 111.523 -1.318 25744 3642 1 14 . 1 1 4 4 GLY CA C 4 44.519 44.519 45.073 -0.554 25744 3643 1 14 . 1 1 4 4 GLY H H 4 8.067 8.067 8.658 -0.591 25744 3644 1 14 . 1 1 5 5 PRO CA C 5 63.030 63.030 62.745 0.284 25744 3645 1 14 . 1 1 5 5 PRO CB C 5 32.458 32.458 32.138 0.320 25744 3646 1 14 . 1 1 6 6 SER N N 6 116.630 116.630 118.175 -1.545 25744 3647 1 14 . 1 1 6 6 SER CA C 6 56.015 56.015 57.390 -1.375 25744 3648 1 14 . 1 1 6 6 SER CB C 6 63.363 63.363 63.520 -0.157 25744 3649 1 14 . 1 1 6 6 SER H H 6 8.304 8.304 8.364 -0.060 25744 3650 1 14 . 1 1 7 7 PRO CA C 7 62.430 62.430 62.995 -0.565 25744 3651 1 14 . 1 1 7 7 PRO CB C 7 30.960 30.960 31.975 -1.015 25744 3652 1 14 . 1 1 8 8 ASN N N 8 120.122 120.122 120.338 -0.216 25744 3653 1 14 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.246 -1.446 25744 3654 1 14 . 1 1 8 8 ASN CB C 8 36.222 36.222 41.465 -5.243 25744 3655 1 14 . 1 1 8 8 ASN H H 8 8.667 8.667 8.288 0.379 25744 3656 1 14 . 1 1 9 9 TRP N N 9 123.684 123.684 123.069 0.615 25744 3657 1 14 . 1 1 9 9 TRP CA C 9 59.215 59.215 61.690 -2.475 25744 3658 1 14 . 1 1 9 9 TRP CB C 9 30.780 30.780 29.553 1.227 25744 3659 1 14 . 1 1 9 9 TRP H H 9 7.691 7.691 8.947 -1.256 25744 3660 1 14 . 1 1 10 10 ASP N N 10 118.132 118.132 118.734 -0.602 25744 3661 1 14 . 1 1 10 10 ASP CA C 10 58.622 58.622 57.190 1.432 25744 3662 1 14 . 1 1 10 10 ASP CB C 10 40.844 40.844 39.509 1.335 25744 3663 1 14 . 1 1 10 10 ASP H H 10 8.320 8.320 8.546 -0.226 25744 3664 1 14 . 1 1 11 11 ALA N N 11 124.299 124.299 122.648 1.651 25744 3665 1 14 . 1 1 11 11 ALA CA C 11 54.593 54.593 54.499 0.094 25744 3666 1 14 . 1 1 11 11 ALA CB C 11 18.681 18.681 18.581 0.100 25744 3667 1 14 . 1 1 11 11 ALA H H 11 7.395 7.395 7.981 -0.586 25744 3668 1 14 . 1 1 12 12 VAL N N 12 120.997 120.997 119.230 1.767 25744 3669 1 14 . 1 1 12 12 VAL CA C 12 66.682 66.682 65.802 0.880 25744 3670 1 14 . 1 1 12 12 VAL CB C 12 31.481 31.481 30.095 1.386 25744 3671 1 14 . 1 1 12 12 VAL H H 12 7.464 7.464 8.631 -1.167 25744 3672 1 14 . 1 1 13 13 ALA N N 13 121.205 121.205 121.246 -0.041 25744 3673 1 14 . 1 1 13 13 ALA CA C 13 54.711 54.711 55.199 -0.488 25744 3674 1 14 . 1 1 13 13 ALA CB C 13 18.918 18.918 17.495 1.423 25744 3675 1 14 . 1 1 13 13 ALA H H 13 8.523 8.523 7.844 0.679 25744 3676 1 14 . 1 1 14 14 GLN N N 14 120.926 120.926 116.735 4.191 25744 3677 1 14 . 1 1 14 14 GLN CA C 14 58.978 58.978 57.310 1.668 25744 3678 1 14 . 1 1 14 14 GLN CB C 14 27.689 27.689 28.701 -1.012 25744 3679 1 14 . 1 1 14 14 GLN H H 14 8.046 8.046 7.954 0.092 25744 3680 1 14 . 1 1 15 15 CYS N N 15 118.916 118.916 117.595 1.321 25744 3681 1 14 . 1 1 15 15 CYS CA C 15 59.334 59.334 59.398 -0.063 25744 3682 1 14 . 1 1 15 15 CYS CB C 15 35.748 35.748 28.876 6.872 25744 3683 1 14 . 1 1 15 15 CYS H H 15 7.108 7.108 7.906 -0.798 25744 3684 1 14 . 1 1 16 16 GLU N N 16 120.227 120.227 120.563 -0.336 25744 3685 1 14 . 1 1 16 16 GLU CA C 16 58.978 58.978 58.640 0.338 25744 3686 1 14 . 1 1 16 16 GLU CB C 16 30.051 30.051 29.935 0.116 25744 3687 1 14 . 1 1 16 16 GLU H H 16 8.776 8.776 8.575 0.201 25744 3688 1 14 . 1 1 17 17 SER N N 17 109.577 109.577 112.660 -3.083 25744 3689 1 14 . 1 1 17 17 SER CA C 17 57.771 57.771 58.198 -0.427 25744 3690 1 14 . 1 1 17 17 SER CB C 17 66.563 66.563 65.005 1.558 25744 3691 1 14 . 1 1 17 17 SER H H 17 8.467 8.467 8.155 0.312 25744 3692 1 14 . 1 1 18 18 GLY N N 18 113.669 113.669 110.629 3.040 25744 3693 1 14 . 1 1 18 18 GLY CA C 18 46.652 46.652 45.786 0.866 25744 3694 1 14 . 1 1 18 18 GLY H H 18 7.598 7.598 7.801 -0.203 25744 3695 1 14 . 1 1 19 19 GLY N N 19 106.884 106.884 108.094 -1.210 25744 3696 1 14 . 1 1 19 19 GLY CA C 19 45.467 45.467 45.351 0.116 25744 3697 1 14 . 1 1 19 19 GLY H H 19 7.476 7.476 7.631 -0.155 25744 3698 1 14 . 1 1 20 20 ASN N N 20 116.428 116.428 120.612 -4.184 25744 3699 1 14 . 1 1 20 20 ASN CA C 20 50.445 50.445 52.678 -2.233 25744 3700 1 14 . 1 1 20 20 ASN CB C 20 38.510 38.510 39.174 -0.664 25744 3701 1 14 . 1 1 20 20 ASN H H 20 6.580 6.580 8.220 -1.640 25744 3702 1 14 . 1 1 21 21 TRP N N 21 124.313 124.313 125.200 -0.887 25744 3703 1 14 . 1 1 21 21 TRP CA C 21 60.400 60.400 60.430 -0.030 25744 3704 1 14 . 1 1 21 21 TRP CB C 21 27.689 27.689 29.355 -1.666 25744 3705 1 14 . 1 1 21 21 TRP H H 21 8.262 8.262 9.040 -0.778 25744 3706 1 14 . 1 1 22 22 ALA N N 22 120.192 120.192 118.655 1.537 25744 3707 1 14 . 1 1 22 22 ALA CA C 22 50.208 50.208 52.479 -2.271 25744 3708 1 14 . 1 1 22 22 ALA CB C 22 19.037 19.037 18.598 0.439 25744 3709 1 14 . 1 1 22 22 ALA H H 22 7.668 7.668 7.705 -0.037 25744 3710 1 14 . 1 1 23 23 ALA N N 23 121.314 121.314 120.421 0.893 25744 3711 1 14 . 1 1 23 23 ALA CA C 23 54.711 54.711 52.446 2.265 25744 3712 1 14 . 1 1 23 23 ALA CB C 23 18.701 18.701 17.181 1.520 25744 3713 1 14 . 1 1 23 23 ALA H H 23 6.929 6.929 7.584 -0.655 25744 3714 1 14 . 1 1 24 24 ASN N N 24 119.494 119.494 115.724 3.770 25744 3715 1 14 . 1 1 24 24 ASN CA C 24 52.459 52.459 53.640 -1.181 25744 3716 1 14 . 1 1 24 24 ASN CB C 24 37.170 37.170 38.487 -1.317 25744 3717 1 14 . 1 1 24 24 ASN H H 24 8.678 8.678 8.319 0.359 25744 3718 1 14 . 1 1 25 25 THR N N 25 113.697 113.697 111.922 1.775 25744 3719 1 14 . 1 1 25 25 THR CA C 25 61.941 61.941 61.787 0.154 25744 3720 1 14 . 1 1 25 25 THR CB C 25 69.171 69.171 68.895 0.276 25744 3721 1 14 . 1 1 25 25 THR H H 25 9.174 9.174 8.045 1.129 25744 3722 1 14 . 1 1 26 26 GLY N N 26 110.554 110.554 111.755 -1.201 25744 3723 1 14 . 1 1 26 26 GLY CA C 26 45.822 45.822 45.823 -0.001 25744 3724 1 14 . 1 1 26 26 GLY H H 26 8.381 8.381 8.160 0.221 25744 3725 1 14 . 1 1 27 27 ASN N N 27 118.272 118.272 119.724 -1.452 25744 3726 1 14 . 1 1 27 27 ASN CA C 27 51.985 51.985 52.111 -0.126 25744 3727 1 14 . 1 1 27 27 ASN CB C 27 37.436 37.436 38.113 -0.677 25744 3728 1 14 . 1 1 27 27 ASN H H 27 7.718 7.718 8.458 -0.740 25744 3729 1 14 . 1 1 28 28 GLY N N 28 108.669 108.669 108.474 0.195 25744 3730 1 14 . 1 1 28 28 GLY CA C 28 45.348 45.348 45.749 -0.401 25744 3731 1 14 . 1 1 28 28 GLY H H 28 8.287 8.287 7.961 0.326 25744 3732 1 14 . 1 1 29 29 LYS N N 29 116.881 116.881 118.062 -1.181 25744 3733 1 14 . 1 1 29 29 LYS CA C 29 54.119 54.119 56.300 -2.181 25744 3734 1 14 . 1 1 29 29 LYS CB C 29 35.184 35.184 33.496 1.688 25744 3735 1 14 . 1 1 29 29 LYS H H 29 7.256 7.256 7.326 -0.070 25744 3736 1 14 . 1 1 30 30 TYR N N 30 115.548 115.548 116.552 -1.004 25744 3737 1 14 . 1 1 30 30 TYR CA C 30 58.148 58.148 57.105 1.043 25744 3738 1 14 . 1 1 30 30 TYR CB C 30 44.163 44.163 41.031 3.132 25744 3739 1 14 . 1 1 30 30 TYR H H 30 8.421 8.421 8.246 0.175 25744 3740 1 14 . 1 1 31 31 GLY N N 31 110.774 110.774 110.540 0.234 25744 3741 1 14 . 1 1 31 31 GLY CA C 31 44.767 44.767 45.592 -0.825 25744 3742 1 14 . 1 1 31 31 GLY H H 31 9.969 9.969 8.598 1.371 25744 3743 1 14 . 1 1 32 32 GLY N N 32 109.262 109.262 107.051 2.211 25744 3744 1 14 . 1 1 32 32 GLY CA C 32 46.193 46.193 45.578 0.615 25744 3745 1 14 . 1 1 32 32 GLY H H 32 9.008 9.008 8.071 0.937 25744 3746 1 14 . 1 1 33 33 LEU N N 33 115.269 115.269 120.596 -5.327 25744 3747 1 14 . 1 1 33 33 LEU CA C 33 52.815 52.815 53.434 -0.619 25744 3748 1 14 . 1 1 33 33 LEU CB C 33 41.556 41.556 42.658 -1.102 25744 3749 1 14 . 1 1 33 33 LEU H H 33 7.843 7.843 7.675 0.168 25744 3750 1 14 . 1 1 34 34 GLN N N 34 112.176 112.176 115.623 -3.447 25744 3751 1 14 . 1 1 34 34 GLN CA C 34 55.304 55.304 57.075 -1.771 25744 3752 1 14 . 1 1 34 34 GLN CB C 34 27.333 27.333 26.771 0.562 25744 3753 1 14 . 1 1 34 34 GLN H H 34 7.321 7.321 8.305 -0.984 25744 3754 1 14 . 1 1 35 35 PHE N N 35 116.246 116.246 121.666 -5.420 25744 3755 1 14 . 1 1 35 35 PHE CA C 35 59.334 59.334 56.427 2.907 25744 3756 1 14 . 1 1 35 35 PHE CB C 35 41.793 41.793 40.265 1.528 25744 3757 1 14 . 1 1 35 35 PHE H H 35 7.708 7.708 8.065 -0.357 25744 3758 1 14 . 1 1 36 36 LYS N N 36 122.039 122.039 128.320 -6.281 25744 3759 1 14 . 1 1 36 36 LYS CA C 36 54.711 54.711 55.881 -1.170 25744 3760 1 14 . 1 1 36 36 LYS CB C 36 32.193 32.193 31.948 0.245 25744 3761 1 14 . 1 1 36 36 LYS H H 36 9.110 9.110 8.625 0.485 25744 3762 1 14 . 1 1 37 37 PRO CA C 37 66.626 66.626 65.591 1.035 25744 3763 1 14 . 1 1 37 37 PRO CB C 37 32.234 32.234 31.979 0.255 25744 3764 1 14 . 1 1 39 39 THR N N 39 115.976 115.976 114.303 1.673 25744 3765 1 14 . 1 1 39 39 THR CA C 39 65.971 65.971 65.528 0.442 25744 3766 1 14 . 1 1 39 39 THR CB C 39 69.550 69.550 68.487 1.063 25744 3767 1 14 . 1 1 39 39 THR H H 39 7.046 7.046 7.492 -0.446 25744 3768 1 14 . 1 1 40 40 TRP N N 40 120.053 120.053 123.767 -3.714 25744 3769 1 14 . 1 1 40 40 TRP CA C 40 60.163 60.163 59.818 0.345 25744 3770 1 14 . 1 1 40 40 TRP CB C 40 30.317 30.317 29.562 0.755 25744 3771 1 14 . 1 1 40 40 TRP H H 40 7.810 7.810 8.130 -0.320 25744 3772 1 14 . 1 1 41 41 ALA N N 41 117.049 117.049 122.013 -4.964 25744 3773 1 14 . 1 1 41 41 ALA CA C 41 54.119 54.119 55.067 -0.948 25744 3774 1 14 . 1 1 41 41 ALA CB C 41 18.800 18.800 17.770 1.030 25744 3775 1 14 . 1 1 41 41 ALA H H 41 8.117 8.117 8.614 -0.497 25744 3776 1 14 . 1 1 42 42 ALA N N 42 120.416 120.416 121.835 -1.419 25744 3777 1 14 . 1 1 42 42 ALA CA C 42 53.408 53.408 54.647 -1.238 25744 3778 1 14 . 1 1 42 42 ALA CB C 42 18.020 18.020 18.851 -0.831 25744 3779 1 14 . 1 1 42 42 ALA H H 42 7.678 7.678 8.022 -0.344 25744 3780 1 14 . 1 1 43 43 PHE N N 43 113.805 113.805 116.037 -2.232 25744 3781 1 14 . 1 1 43 43 PHE CA C 43 57.911 57.911 57.366 0.545 25744 3782 1 14 . 1 1 43 43 PHE CB C 43 38.711 38.711 38.749 -0.038 25744 3783 1 14 . 1 1 43 43 PHE H H 43 7.044 7.044 7.675 -0.631 25744 3784 1 14 . 1 1 44 44 GLY N N 44 104.034 104.034 107.224 -3.190 25744 3785 1 14 . 1 1 44 44 GLY CA C 44 45.963 45.963 44.794 1.169 25744 3786 1 14 . 1 1 44 44 GLY H H 44 7.099 7.099 8.173 -1.074 25744 3787 1 14 . 1 1 45 45 GLY N N 45 110.240 110.240 108.152 2.088 25744 3788 1 14 . 1 1 45 45 GLY CA C 45 44.622 44.622 45.710 -1.088 25744 3789 1 14 . 1 1 45 45 GLY H H 45 8.015 8.015 8.250 -0.235 25744 3790 1 14 . 1 1 46 46 VAL N N 46 122.532 122.532 119.735 2.797 25744 3791 1 14 . 1 1 46 46 VAL CA C 46 60.910 60.910 62.116 -1.206 25744 3792 1 14 . 1 1 46 46 VAL CB C 46 34.444 34.444 32.911 1.533 25744 3793 1 14 . 1 1 46 46 VAL H H 46 7.854 7.854 7.640 0.214 25744 3794 1 14 . 1 1 47 47 GLY N N 47 114.605 114.605 114.514 0.091 25744 3795 1 14 . 1 1 47 47 GLY CA C 47 45.230 45.230 45.688 -0.458 25744 3796 1 14 . 1 1 48 48 ASN N N 48 121.458 121.458 120.757 0.701 25744 3797 1 14 . 1 1 48 48 ASN CA C 48 57.494 57.494 57.881 -0.387 25744 3798 1 14 . 1 1 48 48 ASN CB C 48 31.011 31.011 37.327 -6.316 25744 3799 1 14 . 1 1 48 48 ASN H H 48 8.500 8.500 8.368 0.132 25744 3800 1 14 . 1 1 49 49 PRO CA C 49 64.978 64.978 64.450 0.528 25744 3801 1 14 . 1 1 49 49 PRO CB C 49 30.885 30.885 30.469 0.416 25744 3802 1 14 . 1 1 50 50 ALA N N 50 110.593 110.593 121.887 -11.294 25744 3803 1 14 . 1 1 50 50 ALA CA C 50 53.171 53.171 54.195 -1.024 25744 3804 1 14 . 1 1 50 50 ALA CB C 50 18.404 18.404 18.531 -0.127 25744 3805 1 14 . 1 1 50 50 ALA H H 50 7.787 7.787 7.421 0.366 25744 3806 1 14 . 1 1 51 51 ALA N N 51 118.962 118.962 120.788 -1.826 25744 3807 1 14 . 1 1 51 51 ALA CA C 51 51.037 51.037 52.034 -0.997 25744 3808 1 14 . 1 1 51 51 ALA CB C 51 19.507 19.507 19.816 -0.309 25744 3809 1 14 . 1 1 51 51 ALA H H 51 7.436 7.436 7.857 -0.421 25744 3810 1 14 . 1 1 52 52 ALA N N 52 122.852 122.852 123.200 -0.348 25744 3811 1 14 . 1 1 52 52 ALA CA C 52 50.682 50.682 52.387 -1.705 25744 3812 1 14 . 1 1 52 52 ALA CB C 52 20.654 20.654 19.000 1.654 25744 3813 1 14 . 1 1 52 52 ALA H H 52 7.080 7.080 7.962 -0.882 25744 3814 1 14 . 1 1 53 53 SER N N 53 119.459 119.459 120.153 -0.694 25744 3815 1 14 . 1 1 53 53 SER CA C 53 57.437 57.437 58.114 -0.677 25744 3816 1 14 . 1 1 53 53 SER CB C 53 64.914 64.914 63.744 1.170 25744 3817 1 14 . 1 1 53 53 SER H H 53 8.916 8.916 8.449 0.467 25744 3818 1 14 . 1 1 54 54 ARG N N 54 122.357 122.357 123.872 -1.515 25744 3819 1 14 . 1 1 54 54 ARG CA C 54 59.334 59.334 59.558 -0.224 25744 3820 1 14 . 1 1 54 54 ARG CB C 54 29.111 29.111 29.112 -0.001 25744 3821 1 14 . 1 1 54 54 ARG H H 54 8.791 8.791 8.546 0.245 25744 3822 1 14 . 1 1 55 55 GLU N N 55 114.989 114.989 117.410 -2.421 25744 3823 1 14 . 1 1 55 55 GLU CA C 55 61.348 61.348 59.177 2.171 25744 3824 1 14 . 1 1 55 55 GLU CB C 55 28.756 28.756 28.998 -0.242 25744 3825 1 14 . 1 1 55 55 GLU H H 55 8.214 8.214 8.441 -0.227 25744 3826 1 14 . 1 1 56 56 GLN N N 56 121.065 121.065 119.541 1.524 25744 3827 1 14 . 1 1 56 56 GLN CA C 56 58.504 58.504 58.791 -0.287 25744 3828 1 14 . 1 1 56 56 GLN CB C 56 29.704 29.704 28.406 1.298 25744 3829 1 14 . 1 1 56 56 GLN H H 56 7.975 7.975 7.504 0.471 25744 3830 1 14 . 1 1 57 57 GLN N N 57 120.192 120.192 119.566 0.626 25744 3831 1 14 . 1 1 57 57 GLN CA C 57 60.400 60.400 58.419 1.981 25744 3832 1 14 . 1 1 57 57 GLN CB C 57 30.178 30.178 28.645 1.533 25744 3833 1 14 . 1 1 57 57 GLN H H 57 8.492 8.492 8.425 0.067 25744 3834 1 14 . 1 1 58 58 ILE N N 58 120.157 120.157 116.578 3.579 25744 3835 1 14 . 1 1 58 58 ILE CA C 58 65.952 65.952 64.197 1.755 25744 3836 1 14 . 1 1 58 58 ILE CB C 58 37.747 37.747 36.571 1.176 25744 3837 1 14 . 1 1 58 58 ILE H H 58 8.347 8.347 7.916 0.431 25744 3838 1 14 . 1 1 59 59 ALA N N 59 121.345 121.345 122.172 -0.827 25744 3839 1 14 . 1 1 59 59 ALA CA C 59 55.304 55.304 55.349 -0.045 25744 3840 1 14 . 1 1 59 59 ALA CB C 59 17.970 17.970 17.915 0.055 25744 3841 1 14 . 1 1 59 59 ALA H H 59 7.657 7.657 7.679 -0.022 25744 3842 1 14 . 1 1 60 60 VAL N N 60 117.152 117.152 119.021 -1.869 25744 3843 1 14 . 1 1 60 60 VAL CA C 60 66.208 66.208 65.332 0.876 25744 3844 1 14 . 1 1 60 60 VAL CB C 60 31.481 31.481 30.503 0.979 25744 3845 1 14 . 1 1 60 60 VAL H H 60 7.144 7.144 7.606 -0.462 25744 3846 1 14 . 1 1 61 61 ALA N N 61 123.936 123.936 122.011 1.925 25744 3847 1 14 . 1 1 61 61 ALA CA C 61 56.371 56.371 55.326 1.045 25744 3848 1 14 . 1 1 61 61 ALA CB C 61 16.482 16.482 17.932 -1.450 25744 3849 1 14 . 1 1 61 61 ALA H H 61 8.225 8.225 8.570 -0.345 25744 3850 1 14 . 1 1 62 62 ASN N N 62 114.116 114.116 116.339 -2.223 25744 3851 1 14 . 1 1 62 62 ASN CA C 62 56.845 56.845 56.435 0.410 25744 3852 1 14 . 1 1 62 62 ASN CB C 62 38.356 38.356 38.712 -0.356 25744 3853 1 14 . 1 1 62 62 ASN H H 62 8.500 8.500 8.329 0.171 25744 3854 1 14 . 1 1 63 63 ARG N N 63 122.173 122.173 119.233 2.940 25744 3855 1 14 . 1 1 63 63 ARG CA C 63 59.926 59.926 58.647 1.279 25744 3856 1 14 . 1 1 63 63 ARG CB C 63 30.889 30.889 30.718 0.171 25744 3857 1 14 . 1 1 63 63 ARG H H 63 7.474 7.474 7.591 -0.117 25744 3858 1 14 . 1 1 64 64 VAL N N 64 121.659 121.659 121.691 -0.032 25744 3859 1 14 . 1 1 64 64 VAL CA C 64 65.852 65.852 65.629 0.223 25744 3860 1 14 . 1 1 64 64 VAL CB C 64 31.718 31.718 31.116 0.602 25744 3861 1 14 . 1 1 64 64 VAL H H 64 8.107 8.107 8.331 -0.224 25744 3862 1 14 . 1 1 65 65 LEU N N 65 120.681 120.681 120.323 0.358 25744 3863 1 14 . 1 1 65 65 LEU CA C 65 57.556 57.556 58.823 -1.267 25744 3864 1 14 . 1 1 65 65 LEU CB C 65 43.333 43.333 40.847 2.486 25744 3865 1 14 . 1 1 65 65 LEU H H 65 8.948 8.948 8.539 0.409 25744 3866 1 14 . 1 1 66 66 ALA N N 66 118.509 118.509 121.385 -2.876 25744 3867 1 14 . 1 1 66 66 ALA CA C 66 54.830 54.830 54.912 -0.082 25744 3868 1 14 . 1 1 66 66 ALA CB C 66 19.155 19.155 18.019 1.136 25744 3869 1 14 . 1 1 66 66 ALA H H 66 7.390 7.390 7.931 -0.541 25744 3870 1 14 . 1 1 67 67 GLU N N 67 114.309 114.309 118.753 -4.444 25744 3871 1 14 . 1 1 67 67 GLU CA C 67 57.700 57.700 58.571 -0.871 25744 3872 1 14 . 1 1 67 67 GLU CB C 67 32.531 32.531 30.007 2.524 25744 3873 1 14 . 1 1 67 67 GLU H H 67 7.369 7.369 7.810 -0.441 25744 3874 1 14 . 1 1 68 68 GLN N N 68 116.281 116.281 116.533 -0.252 25744 3875 1 14 . 1 1 68 68 GLN CA C 68 55.778 55.778 55.219 0.559 25744 3876 1 14 . 1 1 68 68 GLN CB C 68 30.889 30.889 31.302 -0.413 25744 3877 1 14 . 1 1 68 68 GLN H H 68 8.914 8.914 7.811 1.103 25744 3878 1 14 . 1 1 69 69 GLY N N 69 109.577 109.577 107.640 1.937 25744 3879 1 14 . 1 1 69 69 GLY CA C 69 45.941 45.941 44.526 1.415 25744 3880 1 14 . 1 1 69 69 GLY H H 69 8.134 8.134 7.956 0.178 25744 3881 1 14 . 1 1 70 70 LEU N N 70 121.331 121.331 118.316 3.015 25744 3882 1 14 . 1 1 70 70 LEU CA C 70 54.522 54.522 57.393 -2.871 25744 3883 1 14 . 1 1 70 70 LEU CB C 70 41.954 41.954 41.976 -0.022 25744 3884 1 14 . 1 1 70 70 LEU H H 70 8.519 8.519 8.575 -0.056 25744 3885 1 14 . 1 1 71 71 ASP N N 71 120.681 120.681 120.300 0.381 25744 3886 1 14 . 1 1 71 71 ASP CA C 71 57.082 57.082 56.016 1.066 25744 3887 1 14 . 1 1 71 71 ASP CB C 71 40.844 40.844 40.190 0.654 25744 3888 1 14 . 1 1 71 71 ASP H H 71 7.718 7.718 8.654 -0.936 25744 3889 1 14 . 1 1 72 72 ALA N N 72 119.110 119.110 122.399 -3.289 25744 3890 1 14 . 1 1 72 72 ALA CA C 72 53.289 53.289 53.429 -0.140 25744 3891 1 14 . 1 1 72 72 ALA CB C 72 15.885 15.885 18.830 -2.945 25744 3892 1 14 . 1 1 72 72 ALA H H 72 8.009 8.009 7.520 0.489 25744 3893 1 14 . 1 1 73 73 TRP N N 73 117.503 117.503 118.858 -1.355 25744 3894 1 14 . 1 1 73 73 TRP CA C 73 56.963 56.963 54.506 2.457 25744 3895 1 14 . 1 1 73 73 TRP CB C 73 28.163 28.163 29.154 -0.991 25744 3896 1 14 . 1 1 73 73 TRP H H 73 7.791 7.791 7.418 0.373 25744 3897 1 14 . 1 1 74 74 PRO CA C 74 65.586 65.586 64.821 0.765 25744 3898 1 14 . 1 1 74 74 PRO CB C 74 32.234 32.234 31.701 0.534 25744 3899 1 14 . 1 1 75 75 THR N N 75 111.008 111.008 109.158 1.850 25744 3900 1 14 . 1 1 75 75 THR CA C 75 63.482 63.482 63.695 -0.213 25744 3901 1 14 . 1 1 75 75 THR CB C 75 68.815 68.815 68.623 0.192 25744 3902 1 14 . 1 1 75 75 THR H H 75 8.197 8.197 8.664 -0.467 25744 3903 1 14 . 1 1 76 76 CYS N N 76 119.131 119.131 119.119 0.012 25744 3904 1 14 . 1 1 76 76 CYS CA C 76 54.853 54.853 59.452 -4.599 25744 3905 1 14 . 1 1 76 76 CYS CB C 76 39.280 39.280 30.211 9.069 25744 3906 1 14 . 1 1 76 76 CYS H H 76 8.144 8.144 7.897 0.247 25744 3907 1 14 . 1 1 77 77 GLY N N 77 110.834 110.834 109.386 1.448 25744 3908 1 14 . 1 1 77 77 GLY CA C 77 48.430 48.430 44.886 3.544 25744 3909 1 14 . 1 1 77 77 GLY H H 77 8.774 8.774 7.963 0.811 25744 3910 1 14 . 1 1 78 78 ALA N N 78 123.300 123.300 126.186 -2.886 25744 3911 1 14 . 1 1 78 78 ALA CA C 78 53.882 53.882 54.124 -0.242 25744 3912 1 14 . 1 1 78 78 ALA CB C 78 18.563 18.563 16.951 1.612 25744 3913 1 14 . 1 1 78 78 ALA H H 78 8.142 8.142 7.793 0.349 25744 3914 1 14 . 1 1 80 80 SER N N 80 111.423 111.423 110.894 0.529 25744 3915 1 14 . 1 1 80 80 SER CA C 80 59.723 59.723 58.506 1.217 25744 3916 1 14 . 1 1 80 80 SER CB C 80 63.648 63.648 64.672 -1.024 25744 3917 1 14 . 1 1 80 80 SER H H 80 7.742 7.742 7.743 -0.001 25744 3918 1 14 . 1 1 81 81 GLY N N 81 111.317 111.317 110.265 1.052 25744 3919 1 14 . 1 1 81 81 GLY CA C 81 45.430 45.430 45.546 -0.116 25744 3920 1 14 . 1 1 81 81 GLY H H 81 7.562 7.562 8.165 -0.603 25744 3921 1 15 . 1 1 4 4 GLY N N 4 110.205 110.205 112.200 -1.995 25744 3922 1 15 . 1 1 4 4 GLY CA C 4 44.519 44.519 44.203 0.316 25744 3923 1 15 . 1 1 4 4 GLY H H 4 8.067 8.067 8.429 -0.362 25744 3924 1 15 . 1 1 5 5 PRO CA C 5 63.030 63.030 62.453 0.577 25744 3925 1 15 . 1 1 5 5 PRO CB C 5 32.458 32.458 32.540 -0.082 25744 3926 1 15 . 1 1 6 6 SER N N 6 116.630 116.630 117.464 -0.834 25744 3927 1 15 . 1 1 6 6 SER CA C 6 56.015 56.015 57.682 -1.667 25744 3928 1 15 . 1 1 6 6 SER CB C 6 63.363 63.363 63.506 -0.143 25744 3929 1 15 . 1 1 6 6 SER H H 6 8.304 8.304 8.395 -0.091 25744 3930 1 15 . 1 1 7 7 PRO CA C 7 62.430 62.430 63.041 -0.611 25744 3931 1 15 . 1 1 7 7 PRO CB C 7 30.960 30.960 32.339 -1.379 25744 3932 1 15 . 1 1 8 8 ASN N N 8 120.122 120.122 119.510 0.612 25744 3933 1 15 . 1 1 8 8 ASN CA C 8 50.800 50.800 51.424 -0.624 25744 3934 1 15 . 1 1 8 8 ASN CB C 8 36.222 36.222 41.137 -4.915 25744 3935 1 15 . 1 1 8 8 ASN H H 8 8.667 8.667 8.498 0.169 25744 3936 1 15 . 1 1 9 9 TRP N N 9 123.684 123.684 122.226 1.458 25744 3937 1 15 . 1 1 9 9 TRP CA C 9 59.215 59.215 61.090 -1.875 25744 3938 1 15 . 1 1 9 9 TRP CB C 9 30.780 30.780 29.785 0.995 25744 3939 1 15 . 1 1 9 9 TRP H H 9 7.691 7.691 8.885 -1.194 25744 3940 1 15 . 1 1 10 10 ASP N N 10 118.132 118.132 116.561 1.571 25744 3941 1 15 . 1 1 10 10 ASP CA C 10 58.622 58.622 57.114 1.508 25744 3942 1 15 . 1 1 10 10 ASP CB C 10 40.844 40.844 39.702 1.142 25744 3943 1 15 . 1 1 10 10 ASP H H 10 8.320 8.320 8.747 -0.427 25744 3944 1 15 . 1 1 11 11 ALA N N 11 124.299 124.299 120.544 3.755 25744 3945 1 15 . 1 1 11 11 ALA CA C 11 54.593 54.593 54.534 0.059 25744 3946 1 15 . 1 1 11 11 ALA CB C 11 18.681 18.681 18.710 -0.029 25744 3947 1 15 . 1 1 11 11 ALA H H 11 7.395 7.395 7.986 -0.591 25744 3948 1 15 . 1 1 12 12 VAL N N 12 120.997 120.997 118.729 2.268 25744 3949 1 15 . 1 1 12 12 VAL CA C 12 66.682 66.682 66.028 0.654 25744 3950 1 15 . 1 1 12 12 VAL CB C 12 31.481 31.481 30.286 1.195 25744 3951 1 15 . 1 1 12 12 VAL H H 12 7.464 7.464 7.653 -0.189 25744 3952 1 15 . 1 1 13 13 ALA N N 13 121.205 121.205 121.384 -0.179 25744 3953 1 15 . 1 1 13 13 ALA CA C 13 54.711 54.711 55.106 -0.395 25744 3954 1 15 . 1 1 13 13 ALA CB C 13 18.918 18.918 17.717 1.201 25744 3955 1 15 . 1 1 13 13 ALA H H 13 8.523 8.523 7.709 0.814 25744 3956 1 15 . 1 1 14 14 GLN N N 14 120.926 120.926 116.109 4.817 25744 3957 1 15 . 1 1 14 14 GLN CA C 14 58.978 58.978 57.335 1.643 25744 3958 1 15 . 1 1 14 14 GLN CB C 14 27.689 27.689 28.921 -1.232 25744 3959 1 15 . 1 1 14 14 GLN H H 14 8.046 8.046 7.965 0.081 25744 3960 1 15 . 1 1 15 15 CYS N N 15 118.916 118.916 117.467 1.449 25744 3961 1 15 . 1 1 15 15 CYS CA C 15 59.334 59.334 59.370 -0.036 25744 3962 1 15 . 1 1 15 15 CYS CB C 15 35.748 35.748 28.601 7.147 25744 3963 1 15 . 1 1 15 15 CYS H H 15 7.108 7.108 7.765 -0.657 25744 3964 1 15 . 1 1 16 16 GLU N N 16 120.227 120.227 120.083 0.144 25744 3965 1 15 . 1 1 16 16 GLU CA C 16 58.978 58.978 58.531 0.447 25744 3966 1 15 . 1 1 16 16 GLU CB C 16 30.051 30.051 30.264 -0.213 25744 3967 1 15 . 1 1 16 16 GLU H H 16 8.776 8.776 8.638 0.138 25744 3968 1 15 . 1 1 17 17 SER N N 17 109.577 109.577 111.880 -2.303 25744 3969 1 15 . 1 1 17 17 SER CA C 17 57.771 57.771 58.209 -0.438 25744 3970 1 15 . 1 1 17 17 SER CB C 17 66.563 66.563 64.956 1.607 25744 3971 1 15 . 1 1 17 17 SER H H 17 8.467 8.467 8.006 0.461 25744 3972 1 15 . 1 1 18 18 GLY N N 18 113.669 113.669 109.584 4.085 25744 3973 1 15 . 1 1 18 18 GLY CA C 18 46.652 46.652 45.165 1.487 25744 3974 1 15 . 1 1 18 18 GLY H H 18 7.598 7.598 7.743 -0.145 25744 3975 1 15 . 1 1 19 19 GLY N N 19 106.884 106.884 107.398 -0.514 25744 3976 1 15 . 1 1 19 19 GLY CA C 19 45.467 45.467 45.723 -0.256 25744 3977 1 15 . 1 1 19 19 GLY H H 19 7.476 7.476 7.431 0.045 25744 3978 1 15 . 1 1 20 20 ASN N N 20 116.428 116.428 122.270 -5.842 25744 3979 1 15 . 1 1 20 20 ASN CA C 20 50.445 50.445 52.633 -2.188 25744 3980 1 15 . 1 1 20 20 ASN CB C 20 38.510 38.510 39.709 -1.199 25744 3981 1 15 . 1 1 20 20 ASN H H 20 6.580 6.580 7.848 -1.268 25744 3982 1 15 . 1 1 21 21 TRP N N 21 124.313 124.313 122.784 1.529 25744 3983 1 15 . 1 1 21 21 TRP CA C 21 60.400 60.400 59.824 0.576 25744 3984 1 15 . 1 1 21 21 TRP CB C 21 27.689 27.689 29.410 -1.721 25744 3985 1 15 . 1 1 21 21 TRP H H 21 8.262 8.262 8.289 -0.027 25744 3986 1 15 . 1 1 22 22 ALA N N 22 120.192 120.192 120.324 -0.132 25744 3987 1 15 . 1 1 22 22 ALA CA C 22 50.208 50.208 53.817 -3.609 25744 3988 1 15 . 1 1 22 22 ALA CB C 22 19.037 19.037 17.861 1.176 25744 3989 1 15 . 1 1 22 22 ALA H H 22 7.668 7.668 8.282 -0.614 25744 3990 1 15 . 1 1 23 23 ALA N N 23 121.314 121.314 121.305 0.009 25744 3991 1 15 . 1 1 23 23 ALA CA C 23 54.711 54.711 52.519 2.192 25744 3992 1 15 . 1 1 23 23 ALA CB C 23 18.701 18.701 17.063 1.638 25744 3993 1 15 . 1 1 23 23 ALA H H 23 6.929 6.929 8.411 -1.482 25744 3994 1 15 . 1 1 24 24 ASN N N 24 119.494 119.494 118.173 1.321 25744 3995 1 15 . 1 1 24 24 ASN CA C 24 52.459 52.459 53.838 -1.379 25744 3996 1 15 . 1 1 24 24 ASN CB C 24 37.170 37.170 37.803 -0.633 25744 3997 1 15 . 1 1 24 24 ASN H H 24 8.678 8.678 9.014 -0.336 25744 3998 1 15 . 1 1 25 25 THR N N 25 113.697 113.697 113.634 0.063 25744 3999 1 15 . 1 1 25 25 THR CA C 25 61.941 61.941 61.944 -0.003 25744 4000 1 15 . 1 1 25 25 THR CB C 25 69.171 69.171 69.576 -0.405 25744 4001 1 15 . 1 1 25 25 THR H H 25 9.174 9.174 8.084 1.090 25744 4002 1 15 . 1 1 26 26 GLY N N 26 110.554 110.554 112.001 -1.447 25744 4003 1 15 . 1 1 26 26 GLY CA C 26 45.822 45.822 45.311 0.511 25744 4004 1 15 . 1 1 26 26 GLY H H 26 8.381 8.381 7.991 0.390 25744 4005 1 15 . 1 1 27 27 ASN N N 27 118.272 118.272 119.587 -1.315 25744 4006 1 15 . 1 1 27 27 ASN CA C 27 51.985 51.985 51.876 0.110 25744 4007 1 15 . 1 1 27 27 ASN CB C 27 37.436 37.436 38.392 -0.956 25744 4008 1 15 . 1 1 27 27 ASN H H 27 7.718 7.718 8.597 -0.879 25744 4009 1 15 . 1 1 28 28 GLY N N 28 108.669 108.669 106.886 1.783 25744 4010 1 15 . 1 1 28 28 GLY CA C 28 45.348 45.348 46.103 -0.755 25744 4011 1 15 . 1 1 28 28 GLY H H 28 8.287 8.287 8.287 -0.000 25744 4012 1 15 . 1 1 29 29 LYS N N 29 116.881 116.881 119.205 -2.324 25744 4013 1 15 . 1 1 29 29 LYS CA C 29 54.119 54.119 55.035 -0.916 25744 4014 1 15 . 1 1 29 29 LYS CB C 29 35.184 35.184 35.938 -0.755 25744 4015 1 15 . 1 1 29 29 LYS H H 29 7.256 7.256 7.560 -0.304 25744 4016 1 15 . 1 1 30 30 TYR N N 30 115.548 115.548 114.952 0.596 25744 4017 1 15 . 1 1 30 30 TYR CA C 30 58.148 58.148 56.592 1.556 25744 4018 1 15 . 1 1 30 30 TYR CB C 30 44.163 44.163 40.005 4.158 25744 4019 1 15 . 1 1 30 30 TYR H H 30 8.421 8.421 7.641 0.780 25744 4020 1 15 . 1 1 31 31 GLY N N 31 110.774 110.774 114.069 -3.295 25744 4021 1 15 . 1 1 31 31 GLY CA C 31 44.767 44.767 45.751 -0.984 25744 4022 1 15 . 1 1 31 31 GLY H H 31 9.969 9.969 9.073 0.896 25744 4023 1 15 . 1 1 32 32 GLY N N 32 109.262 109.262 106.868 2.394 25744 4024 1 15 . 1 1 32 32 GLY CA C 32 46.193 46.193 44.974 1.218 25744 4025 1 15 . 1 1 32 32 GLY H H 32 9.008 9.008 8.038 0.970 25744 4026 1 15 . 1 1 33 33 LEU N N 33 115.269 115.269 118.967 -3.698 25744 4027 1 15 . 1 1 33 33 LEU CA C 33 52.815 52.815 52.626 0.189 25744 4028 1 15 . 1 1 33 33 LEU CB C 33 41.556 41.556 41.402 0.154 25744 4029 1 15 . 1 1 33 33 LEU H H 33 7.843 7.843 7.468 0.375 25744 4030 1 15 . 1 1 34 34 GLN N N 34 112.176 112.176 114.548 -2.372 25744 4031 1 15 . 1 1 34 34 GLN CA C 34 55.304 55.304 56.721 -1.417 25744 4032 1 15 . 1 1 34 34 GLN CB C 34 27.333 27.333 26.845 0.488 25744 4033 1 15 . 1 1 34 34 GLN H H 34 7.321 7.321 7.870 -0.549 25744 4034 1 15 . 1 1 35 35 PHE N N 35 116.246 116.246 118.889 -2.643 25744 4035 1 15 . 1 1 35 35 PHE CA C 35 59.334 59.334 55.442 3.892 25744 4036 1 15 . 1 1 35 35 PHE CB C 35 41.793 41.793 39.435 2.358 25744 4037 1 15 . 1 1 35 35 PHE H H 35 7.708 7.708 7.738 -0.030 25744 4038 1 15 . 1 1 36 36 LYS N N 36 122.039 122.039 127.758 -5.719 25744 4039 1 15 . 1 1 36 36 LYS CA C 36 54.711 54.711 56.672 -1.961 25744 4040 1 15 . 1 1 36 36 LYS CB C 36 32.193 32.193 32.157 0.036 25744 4041 1 15 . 1 1 36 36 LYS H H 36 9.110 9.110 8.775 0.335 25744 4042 1 15 . 1 1 37 37 PRO CA C 37 66.626 66.626 65.640 0.986 25744 4043 1 15 . 1 1 37 37 PRO CB C 37 32.234 32.234 31.958 0.276 25744 4044 1 15 . 1 1 39 39 THR N N 39 115.976 115.976 114.570 1.406 25744 4045 1 15 . 1 1 39 39 THR CA C 39 65.971 65.971 65.745 0.226 25744 4046 1 15 . 1 1 39 39 THR CB C 39 69.550 69.550 68.636 0.914 25744 4047 1 15 . 1 1 39 39 THR H H 39 7.046 7.046 7.631 -0.585 25744 4048 1 15 . 1 1 40 40 TRP N N 40 120.053 120.053 123.348 -3.295 25744 4049 1 15 . 1 1 40 40 TRP CA C 40 60.163 60.163 59.475 0.688 25744 4050 1 15 . 1 1 40 40 TRP CB C 40 30.317 30.317 29.068 1.249 25744 4051 1 15 . 1 1 40 40 TRP H H 40 7.810 7.810 7.835 -0.025 25744 4052 1 15 . 1 1 41 41 ALA N N 41 117.049 117.049 121.804 -4.755 25744 4053 1 15 . 1 1 41 41 ALA CA C 41 54.119 54.119 54.933 -0.814 25744 4054 1 15 . 1 1 41 41 ALA CB C 41 18.800 18.800 17.719 1.081 25744 4055 1 15 . 1 1 41 41 ALA H H 41 8.117 8.117 8.024 0.093 25744 4056 1 15 . 1 1 42 42 ALA N N 42 120.416 120.416 121.898 -1.482 25744 4057 1 15 . 1 1 42 42 ALA CA C 42 53.408 53.408 54.533 -1.125 25744 4058 1 15 . 1 1 42 42 ALA CB C 42 18.020 18.020 18.733 -0.713 25744 4059 1 15 . 1 1 42 42 ALA H H 42 7.678 7.678 7.993 -0.315 25744 4060 1 15 . 1 1 43 43 PHE N N 43 113.805 113.805 116.915 -3.110 25744 4061 1 15 . 1 1 43 43 PHE CA C 43 57.911 57.911 57.120 0.791 25744 4062 1 15 . 1 1 43 43 PHE CB C 43 38.711 38.711 38.888 -0.177 25744 4063 1 15 . 1 1 43 43 PHE H H 43 7.044 7.044 7.497 -0.453 25744 4064 1 15 . 1 1 44 44 GLY N N 44 104.034 104.034 107.309 -3.275 25744 4065 1 15 . 1 1 44 44 GLY CA C 44 45.963 45.963 44.722 1.241 25744 4066 1 15 . 1 1 44 44 GLY H H 44 7.099 7.099 8.024 -0.925 25744 4067 1 15 . 1 1 45 45 GLY N N 45 110.240 110.240 108.376 1.864 25744 4068 1 15 . 1 1 45 45 GLY CA C 45 44.622 44.622 45.686 -1.064 25744 4069 1 15 . 1 1 45 45 GLY H H 45 8.015 8.015 8.071 -0.056 25744 4070 1 15 . 1 1 46 46 VAL N N 46 122.532 122.532 120.595 1.937 25744 4071 1 15 . 1 1 46 46 VAL CA C 46 60.910 60.910 62.536 -1.626 25744 4072 1 15 . 1 1 46 46 VAL CB C 46 34.444 34.444 32.157 2.287 25744 4073 1 15 . 1 1 46 46 VAL H H 46 7.854 7.854 7.735 0.119 25744 4074 1 15 . 1 1 47 47 GLY N N 47 114.605 114.605 113.383 1.222 25744 4075 1 15 . 1 1 47 47 GLY CA C 47 45.230 45.230 45.715 -0.485 25744 4076 1 15 . 1 1 48 48 ASN N N 48 121.458 121.458 120.886 0.572 25744 4077 1 15 . 1 1 48 48 ASN CA C 48 57.494 57.494 58.147 -0.653 25744 4078 1 15 . 1 1 48 48 ASN CB C 48 31.011 31.011 37.438 -6.427 25744 4079 1 15 . 1 1 48 48 ASN H H 48 8.500 8.500 8.634 -0.134 25744 4080 1 15 . 1 1 49 49 PRO CA C 49 64.978 64.978 65.103 -0.125 25744 4081 1 15 . 1 1 49 49 PRO CB C 49 30.885 30.885 30.708 0.177 25744 4082 1 15 . 1 1 50 50 ALA N N 50 110.593 110.593 120.320 -9.727 25744 4083 1 15 . 1 1 50 50 ALA CA C 50 53.171 53.171 53.820 -0.649 25744 4084 1 15 . 1 1 50 50 ALA CB C 50 18.404 18.404 18.472 -0.068 25744 4085 1 15 . 1 1 50 50 ALA H H 50 7.787 7.787 7.763 0.024 25744 4086 1 15 . 1 1 51 51 ALA N N 51 118.962 118.962 120.310 -1.348 25744 4087 1 15 . 1 1 51 51 ALA CA C 51 51.037 51.037 52.195 -1.158 25744 4088 1 15 . 1 1 51 51 ALA CB C 51 19.507 19.507 20.203 -0.696 25744 4089 1 15 . 1 1 51 51 ALA H H 51 7.436 7.436 7.791 -0.355 25744 4090 1 15 . 1 1 52 52 ALA N N 52 122.852 122.852 122.941 -0.089 25744 4091 1 15 . 1 1 52 52 ALA CA C 52 50.682 50.682 52.312 -1.630 25744 4092 1 15 . 1 1 52 52 ALA CB C 52 20.654 20.654 18.691 1.963 25744 4093 1 15 . 1 1 52 52 ALA H H 52 7.080 7.080 7.999 -0.919 25744 4094 1 15 . 1 1 53 53 SER N N 53 119.459 119.459 119.379 0.080 25744 4095 1 15 . 1 1 53 53 SER CA C 53 57.437 57.437 57.582 -0.145 25744 4096 1 15 . 1 1 53 53 SER CB C 53 64.914 64.914 64.123 0.791 25744 4097 1 15 . 1 1 53 53 SER H H 53 8.916 8.916 8.515 0.401 25744 4098 1 15 . 1 1 54 54 ARG N N 54 122.357 122.357 123.765 -1.408 25744 4099 1 15 . 1 1 54 54 ARG CA C 54 59.334 59.334 59.681 -0.347 25744 4100 1 15 . 1 1 54 54 ARG CB C 54 29.111 29.111 29.087 0.024 25744 4101 1 15 . 1 1 54 54 ARG H H 54 8.791 8.791 8.669 0.122 25744 4102 1 15 . 1 1 55 55 GLU N N 55 114.989 114.989 117.712 -2.723 25744 4103 1 15 . 1 1 55 55 GLU CA C 55 61.348 61.348 58.611 2.737 25744 4104 1 15 . 1 1 55 55 GLU CB C 55 28.756 28.756 29.387 -0.631 25744 4105 1 15 . 1 1 55 55 GLU H H 55 8.214 8.214 8.458 -0.244 25744 4106 1 15 . 1 1 56 56 GLN N N 56 121.065 121.065 119.221 1.844 25744 4107 1 15 . 1 1 56 56 GLN CA C 56 58.504 58.504 58.423 0.081 25744 4108 1 15 . 1 1 56 56 GLN CB C 56 29.704 29.704 28.879 0.825 25744 4109 1 15 . 1 1 56 56 GLN H H 56 7.975 7.975 7.620 0.355 25744 4110 1 15 . 1 1 57 57 GLN N N 57 120.192 120.192 120.604 -0.412 25744 4111 1 15 . 1 1 57 57 GLN CA C 57 60.400 60.400 58.191 2.209 25744 4112 1 15 . 1 1 57 57 GLN CB C 57 30.178 30.178 28.319 1.859 25744 4113 1 15 . 1 1 57 57 GLN H H 57 8.492 8.492 8.481 0.011 25744 4114 1 15 . 1 1 58 58 ILE N N 58 120.157 120.157 116.043 4.114 25744 4115 1 15 . 1 1 58 58 ILE CA C 58 65.952 65.952 64.242 1.710 25744 4116 1 15 . 1 1 58 58 ILE CB C 58 37.747 37.747 36.688 1.059 25744 4117 1 15 . 1 1 58 58 ILE H H 58 8.347 8.347 7.960 0.387 25744 4118 1 15 . 1 1 59 59 ALA N N 59 121.345 121.345 122.270 -0.925 25744 4119 1 15 . 1 1 59 59 ALA CA C 59 55.304 55.304 55.215 0.089 25744 4120 1 15 . 1 1 59 59 ALA CB C 59 17.970 17.970 17.848 0.122 25744 4121 1 15 . 1 1 59 59 ALA H H 59 7.657 7.657 7.589 0.068 25744 4122 1 15 . 1 1 60 60 VAL N N 60 117.152 117.152 119.202 -2.050 25744 4123 1 15 . 1 1 60 60 VAL CA C 60 66.208 66.208 65.334 0.874 25744 4124 1 15 . 1 1 60 60 VAL CB C 60 31.481 31.481 30.360 1.121 25744 4125 1 15 . 1 1 60 60 VAL H H 60 7.144 7.144 7.507 -0.363 25744 4126 1 15 . 1 1 61 61 ALA N N 61 123.936 123.936 121.711 2.225 25744 4127 1 15 . 1 1 61 61 ALA CA C 61 56.371 56.371 55.452 0.919 25744 4128 1 15 . 1 1 61 61 ALA CB C 61 16.482 16.482 18.370 -1.889 25744 4129 1 15 . 1 1 61 61 ALA H H 61 8.225 8.225 8.652 -0.427 25744 4130 1 15 . 1 1 62 62 ASN N N 62 114.116 114.116 117.315 -3.199 25744 4131 1 15 . 1 1 62 62 ASN CA C 62 56.845 56.845 56.337 0.508 25744 4132 1 15 . 1 1 62 62 ASN CB C 62 38.356 38.356 38.548 -0.192 25744 4133 1 15 . 1 1 62 62 ASN H H 62 8.500 8.500 8.238 0.262 25744 4134 1 15 . 1 1 63 63 ARG N N 63 122.173 122.173 120.613 1.560 25744 4135 1 15 . 1 1 63 63 ARG CA C 63 59.926 59.926 58.519 1.407 25744 4136 1 15 . 1 1 63 63 ARG CB C 63 30.889 30.889 30.311 0.579 25744 4137 1 15 . 1 1 63 63 ARG H H 63 7.474 7.474 7.883 -0.409 25744 4138 1 15 . 1 1 64 64 VAL N N 64 121.659 121.659 120.102 1.557 25744 4139 1 15 . 1 1 64 64 VAL CA C 64 65.852 65.852 65.705 0.147 25744 4140 1 15 . 1 1 64 64 VAL CB C 64 31.718 31.718 31.355 0.363 25744 4141 1 15 . 1 1 64 64 VAL H H 64 8.107 8.107 8.492 -0.385 25744 4142 1 15 . 1 1 65 65 LEU N N 65 120.681 120.681 120.055 0.626 25744 4143 1 15 . 1 1 65 65 LEU CA C 65 57.556 57.556 58.769 -1.213 25744 4144 1 15 . 1 1 65 65 LEU CB C 65 43.333 43.333 40.888 2.445 25744 4145 1 15 . 1 1 65 65 LEU H H 65 8.948 8.948 7.914 1.034 25744 4146 1 15 . 1 1 66 66 ALA N N 66 118.509 118.509 121.568 -3.059 25744 4147 1 15 . 1 1 66 66 ALA CA C 66 54.830 54.830 54.721 0.109 25744 4148 1 15 . 1 1 66 66 ALA CB C 66 19.155 19.155 18.206 0.949 25744 4149 1 15 . 1 1 66 66 ALA H H 66 7.390 7.390 7.828 -0.438 25744 4150 1 15 . 1 1 67 67 GLU N N 67 114.309 114.309 118.746 -4.437 25744 4151 1 15 . 1 1 67 67 GLU CA C 67 57.700 57.700 58.520 -0.820 25744 4152 1 15 . 1 1 67 67 GLU CB C 67 32.531 32.531 29.931 2.600 25744 4153 1 15 . 1 1 67 67 GLU H H 67 7.369 7.369 7.829 -0.460 25744 4154 1 15 . 1 1 68 68 GLN N N 68 116.281 116.281 115.995 0.286 25744 4155 1 15 . 1 1 68 68 GLN CA C 68 55.778 55.778 55.511 0.267 25744 4156 1 15 . 1 1 68 68 GLN CB C 68 30.889 30.889 31.897 -1.008 25744 4157 1 15 . 1 1 68 68 GLN H H 68 8.914 8.914 7.852 1.062 25744 4158 1 15 . 1 1 69 69 GLY N N 69 109.577 109.577 108.111 1.466 25744 4159 1 15 . 1 1 69 69 GLY CA C 69 45.941 45.941 44.723 1.218 25744 4160 1 15 . 1 1 69 69 GLY H H 69 8.134 8.134 7.875 0.259 25744 4161 1 15 . 1 1 70 70 LEU N N 70 121.331 121.331 118.160 3.171 25744 4162 1 15 . 1 1 70 70 LEU CA C 70 54.522 54.522 57.537 -3.015 25744 4163 1 15 . 1 1 70 70 LEU CB C 70 41.954 41.954 41.972 -0.019 25744 4164 1 15 . 1 1 70 70 LEU H H 70 8.519 8.519 8.640 -0.121 25744 4165 1 15 . 1 1 71 71 ASP N N 71 120.681 120.681 120.124 0.557 25744 4166 1 15 . 1 1 71 71 ASP CA C 71 57.082 57.082 56.548 0.534 25744 4167 1 15 . 1 1 71 71 ASP CB C 71 40.844 40.844 40.021 0.823 25744 4168 1 15 . 1 1 71 71 ASP H H 71 7.718 7.718 8.267 -0.549 25744 4169 1 15 . 1 1 72 72 ALA N N 72 119.110 119.110 121.734 -2.624 25744 4170 1 15 . 1 1 72 72 ALA CA C 72 53.289 53.289 53.186 0.103 25744 4171 1 15 . 1 1 72 72 ALA CB C 72 15.885 15.885 18.577 -2.692 25744 4172 1 15 . 1 1 72 72 ALA H H 72 8.009 8.009 7.349 0.660 25744 4173 1 15 . 1 1 73 73 TRP N N 73 117.503 117.503 119.616 -2.113 25744 4174 1 15 . 1 1 73 73 TRP CA C 73 56.963 56.963 55.326 1.637 25744 4175 1 15 . 1 1 73 73 TRP CB C 73 28.163 28.163 29.058 -0.895 25744 4176 1 15 . 1 1 73 73 TRP H H 73 7.791 7.791 7.961 -0.170 25744 4177 1 15 . 1 1 74 74 PRO CA C 74 65.586 65.586 62.821 2.765 25744 4178 1 15 . 1 1 74 74 PRO CB C 74 32.234 32.234 32.396 -0.162 25744 4179 1 15 . 1 1 75 75 THR N N 75 111.008 111.008 107.944 3.064 25744 4180 1 15 . 1 1 75 75 THR CA C 75 63.482 63.482 64.086 -0.604 25744 4181 1 15 . 1 1 75 75 THR CB C 75 68.815 68.815 68.351 0.464 25744 4182 1 15 . 1 1 75 75 THR H H 75 8.197 8.197 8.548 -0.351 25744 4183 1 15 . 1 1 76 76 CYS N N 76 119.131 119.131 122.235 -3.104 25744 4184 1 15 . 1 1 76 76 CYS CA C 76 54.853 54.853 60.350 -5.497 25744 4185 1 15 . 1 1 76 76 CYS CB C 76 39.280 39.280 26.624 12.656 25744 4186 1 15 . 1 1 76 76 CYS H H 76 8.144 8.144 8.046 0.098 25744 4187 1 15 . 1 1 77 77 GLY N N 77 110.834 110.834 106.852 3.982 25744 4188 1 15 . 1 1 77 77 GLY CA C 77 48.430 48.430 45.010 3.420 25744 4189 1 15 . 1 1 77 77 GLY H H 77 8.774 8.774 8.556 0.218 25744 4190 1 15 . 1 1 78 78 ALA N N 78 123.300 123.300 122.099 1.201 25744 4191 1 15 . 1 1 78 78 ALA CA C 78 53.882 53.882 54.548 -0.666 25744 4192 1 15 . 1 1 78 78 ALA CB C 78 18.563 18.563 18.266 0.297 25744 4193 1 15 . 1 1 78 78 ALA H H 78 8.142 8.142 8.343 -0.201 25744 4194 1 15 . 1 1 80 80 SER N N 80 111.423 111.423 113.061 -1.638 25744 4195 1 15 . 1 1 80 80 SER CA C 80 59.723 59.723 59.224 0.499 25744 4196 1 15 . 1 1 80 80 SER CB C 80 63.648 63.648 63.658 -0.010 25744 4197 1 15 . 1 1 80 80 SER H H 80 7.742 7.742 7.903 -0.161 25744 4198 1 15 . 1 1 81 81 GLY N N 81 111.317 111.317 109.719 1.598 25744 4199 1 15 . 1 1 81 81 GLY CA C 81 45.430 45.430 45.576 -0.146 25744 4200 1 15 . 1 1 81 81 GLY H H 81 7.562 7.562 7.904 -0.342 25744 4201 1 16 . 1 1 4 4 GLY N N 4 110.205 110.205 108.654 1.551 25744 4202 1 16 . 1 1 4 4 GLY CA C 4 44.519 44.519 44.492 0.027 25744 4203 1 16 . 1 1 4 4 GLY H H 4 8.067 8.067 8.080 -0.013 25744 4204 1 16 . 1 1 5 5 PRO CA C 5 63.030 63.030 62.416 0.614 25744 4205 1 16 . 1 1 5 5 PRO CB C 5 32.458 32.458 32.751 -0.293 25744 4206 1 16 . 1 1 6 6 SER N N 6 116.630 116.630 118.971 -2.341 25744 4207 1 16 . 1 1 6 6 SER CA C 6 56.015 56.015 57.478 -1.463 25744 4208 1 16 . 1 1 6 6 SER CB C 6 63.363 63.363 63.569 -0.206 25744 4209 1 16 . 1 1 6 6 SER H H 6 8.304 8.304 8.386 -0.082 25744 4210 1 16 . 1 1 7 7 PRO CA C 7 62.430 62.430 62.653 -0.223 25744 4211 1 16 . 1 1 7 7 PRO CB C 7 30.960 30.960 32.197 -1.237 25744 4212 1 16 . 1 1 8 8 ASN N N 8 120.122 120.122 121.061 -0.939 25744 4213 1 16 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.353 -1.553 25744 4214 1 16 . 1 1 8 8 ASN CB C 8 36.222 36.222 38.600 -2.378 25744 4215 1 16 . 1 1 8 8 ASN H H 8 8.667 8.667 8.652 0.015 25744 4216 1 16 . 1 1 9 9 TRP N N 9 123.684 123.684 124.465 -0.781 25744 4217 1 16 . 1 1 9 9 TRP CA C 9 59.215 59.215 61.182 -1.967 25744 4218 1 16 . 1 1 9 9 TRP CB C 9 30.780 30.780 29.752 1.028 25744 4219 1 16 . 1 1 9 9 TRP H H 9 7.691 7.691 8.520 -0.829 25744 4220 1 16 . 1 1 10 10 ASP N N 10 118.132 118.132 118.825 -0.693 25744 4221 1 16 . 1 1 10 10 ASP CA C 10 58.622 58.622 57.593 1.029 25744 4222 1 16 . 1 1 10 10 ASP CB C 10 40.844 40.844 40.687 0.157 25744 4223 1 16 . 1 1 10 10 ASP H H 10 8.320 8.320 8.605 -0.285 25744 4224 1 16 . 1 1 11 11 ALA N N 11 124.299 124.299 122.503 1.796 25744 4225 1 16 . 1 1 11 11 ALA CA C 11 54.593 54.593 54.858 -0.265 25744 4226 1 16 . 1 1 11 11 ALA CB C 11 18.681 18.681 18.595 0.086 25744 4227 1 16 . 1 1 11 11 ALA H H 11 7.395 7.395 7.565 -0.170 25744 4228 1 16 . 1 1 12 12 VAL N N 12 120.997 120.997 118.554 2.443 25744 4229 1 16 . 1 1 12 12 VAL CA C 12 66.682 66.682 66.141 0.541 25744 4230 1 16 . 1 1 12 12 VAL CB C 12 31.481 31.481 30.280 1.201 25744 4231 1 16 . 1 1 12 12 VAL H H 12 7.464 7.464 8.158 -0.694 25744 4232 1 16 . 1 1 13 13 ALA N N 13 121.205 121.205 121.546 -0.341 25744 4233 1 16 . 1 1 13 13 ALA CA C 13 54.711 54.711 55.160 -0.449 25744 4234 1 16 . 1 1 13 13 ALA CB C 13 18.918 18.918 17.747 1.171 25744 4235 1 16 . 1 1 13 13 ALA H H 13 8.523 8.523 8.003 0.520 25744 4236 1 16 . 1 1 14 14 GLN N N 14 120.926 120.926 116.472 4.454 25744 4237 1 16 . 1 1 14 14 GLN CA C 14 58.978 58.978 57.636 1.342 25744 4238 1 16 . 1 1 14 14 GLN CB C 14 27.689 27.689 28.791 -1.103 25744 4239 1 16 . 1 1 14 14 GLN H H 14 8.046 8.046 8.068 -0.022 25744 4240 1 16 . 1 1 15 15 CYS N N 15 118.916 118.916 116.716 2.200 25744 4241 1 16 . 1 1 15 15 CYS CA C 15 59.334 59.334 59.422 -0.088 25744 4242 1 16 . 1 1 15 15 CYS CB C 15 35.748 35.748 28.290 7.458 25744 4243 1 16 . 1 1 15 15 CYS H H 15 7.108 7.108 7.607 -0.499 25744 4244 1 16 . 1 1 16 16 GLU N N 16 120.227 120.227 119.435 0.792 25744 4245 1 16 . 1 1 16 16 GLU CA C 16 58.978 58.978 57.950 1.028 25744 4246 1 16 . 1 1 16 16 GLU CB C 16 30.051 30.051 31.142 -1.091 25744 4247 1 16 . 1 1 16 16 GLU H H 16 8.776 8.776 8.047 0.729 25744 4248 1 16 . 1 1 17 17 SER N N 17 109.577 109.577 113.016 -3.439 25744 4249 1 16 . 1 1 17 17 SER CA C 17 57.771 57.771 59.328 -1.558 25744 4250 1 16 . 1 1 17 17 SER CB C 17 66.563 66.563 64.631 1.932 25744 4251 1 16 . 1 1 17 17 SER H H 17 8.467 8.467 8.301 0.166 25744 4252 1 16 . 1 1 18 18 GLY N N 18 113.669 113.669 111.138 2.531 25744 4253 1 16 . 1 1 18 18 GLY CA C 18 46.652 46.652 45.840 0.812 25744 4254 1 16 . 1 1 18 18 GLY H H 18 7.598 7.598 7.831 -0.233 25744 4255 1 16 . 1 1 19 19 GLY N N 19 106.884 106.884 107.781 -0.897 25744 4256 1 16 . 1 1 19 19 GLY CA C 19 45.467 45.467 45.661 -0.194 25744 4257 1 16 . 1 1 19 19 GLY H H 19 7.476 7.476 8.010 -0.534 25744 4258 1 16 . 1 1 20 20 ASN N N 20 116.428 116.428 120.219 -3.791 25744 4259 1 16 . 1 1 20 20 ASN CA C 20 50.445 50.445 52.133 -1.688 25744 4260 1 16 . 1 1 20 20 ASN CB C 20 38.510 38.510 40.305 -1.795 25744 4261 1 16 . 1 1 20 20 ASN H H 20 6.580 6.580 8.294 -1.714 25744 4262 1 16 . 1 1 21 21 TRP N N 21 124.313 124.313 125.370 -1.057 25744 4263 1 16 . 1 1 21 21 TRP CA C 21 60.400 60.400 60.783 -0.383 25744 4264 1 16 . 1 1 21 21 TRP CB C 21 27.689 27.689 29.740 -2.051 25744 4265 1 16 . 1 1 21 21 TRP H H 21 8.262 8.262 9.033 -0.771 25744 4266 1 16 . 1 1 22 22 ALA N N 22 120.192 120.192 117.734 2.458 25744 4267 1 16 . 1 1 22 22 ALA CA C 22 50.208 50.208 51.525 -1.317 25744 4268 1 16 . 1 1 22 22 ALA CB C 22 19.037 19.037 17.722 1.315 25744 4269 1 16 . 1 1 22 22 ALA H H 22 7.668 7.668 7.697 -0.029 25744 4270 1 16 . 1 1 23 23 ALA N N 23 121.314 121.314 121.198 0.116 25744 4271 1 16 . 1 1 23 23 ALA CA C 23 54.711 54.711 52.269 2.442 25744 4272 1 16 . 1 1 23 23 ALA CB C 23 18.701 18.701 17.820 0.881 25744 4273 1 16 . 1 1 23 23 ALA H H 23 6.929 6.929 7.457 -0.528 25744 4274 1 16 . 1 1 24 24 ASN N N 24 119.494 119.494 119.810 -0.316 25744 4275 1 16 . 1 1 24 24 ASN CA C 24 52.459 52.459 53.193 -0.734 25744 4276 1 16 . 1 1 24 24 ASN CB C 24 37.170 37.170 37.490 -0.320 25744 4277 1 16 . 1 1 24 24 ASN H H 24 8.678 8.678 8.854 -0.176 25744 4278 1 16 . 1 1 25 25 THR N N 25 113.697 113.697 108.970 4.727 25744 4279 1 16 . 1 1 25 25 THR CA C 25 61.941 61.941 61.881 0.060 25744 4280 1 16 . 1 1 25 25 THR CB C 25 69.171 69.171 69.757 -0.586 25744 4281 1 16 . 1 1 25 25 THR H H 25 9.174 9.174 8.062 1.112 25744 4282 1 16 . 1 1 26 26 GLY N N 26 110.554 110.554 112.168 -1.614 25744 4283 1 16 . 1 1 26 26 GLY CA C 26 45.822 45.822 45.277 0.545 25744 4284 1 16 . 1 1 26 26 GLY H H 26 8.381 8.381 8.075 0.306 25744 4285 1 16 . 1 1 27 27 ASN N N 27 118.272 118.272 119.988 -1.716 25744 4286 1 16 . 1 1 27 27 ASN CA C 27 51.985 51.985 52.040 -0.055 25744 4287 1 16 . 1 1 27 27 ASN CB C 27 37.436 37.436 38.455 -1.019 25744 4288 1 16 . 1 1 27 27 ASN H H 27 7.718 7.718 8.223 -0.505 25744 4289 1 16 . 1 1 28 28 GLY N N 28 108.669 108.669 108.140 0.529 25744 4290 1 16 . 1 1 28 28 GLY CA C 28 45.348 45.348 45.790 -0.442 25744 4291 1 16 . 1 1 28 28 GLY H H 28 8.287 8.287 8.128 0.159 25744 4292 1 16 . 1 1 29 29 LYS N N 29 116.881 116.881 118.782 -1.901 25744 4293 1 16 . 1 1 29 29 LYS CA C 29 54.119 54.119 55.205 -1.086 25744 4294 1 16 . 1 1 29 29 LYS CB C 29 35.184 35.184 35.181 0.003 25744 4295 1 16 . 1 1 29 29 LYS H H 29 7.256 7.256 7.486 -0.230 25744 4296 1 16 . 1 1 30 30 TYR N N 30 115.548 115.548 119.473 -3.925 25744 4297 1 16 . 1 1 30 30 TYR CA C 30 58.148 58.148 57.499 0.649 25744 4298 1 16 . 1 1 30 30 TYR CB C 30 44.163 44.163 41.549 2.614 25744 4299 1 16 . 1 1 30 30 TYR H H 30 8.421 8.421 8.025 0.396 25744 4300 1 16 . 1 1 31 31 GLY N N 31 110.774 110.774 111.400 -0.626 25744 4301 1 16 . 1 1 31 31 GLY CA C 31 44.767 44.767 45.878 -1.111 25744 4302 1 16 . 1 1 31 31 GLY H H 31 9.969 9.969 9.115 0.854 25744 4303 1 16 . 1 1 32 32 GLY N N 32 109.262 109.262 105.921 3.341 25744 4304 1 16 . 1 1 32 32 GLY CA C 32 46.193 46.193 45.391 0.802 25744 4305 1 16 . 1 1 32 32 GLY H H 32 9.008 9.008 8.303 0.705 25744 4306 1 16 . 1 1 33 33 LEU N N 33 115.269 115.269 120.040 -4.771 25744 4307 1 16 . 1 1 33 33 LEU CA C 33 52.815 52.815 53.471 -0.657 25744 4308 1 16 . 1 1 33 33 LEU CB C 33 41.556 41.556 42.931 -1.375 25744 4309 1 16 . 1 1 33 33 LEU H H 33 7.843 7.843 8.012 -0.169 25744 4310 1 16 . 1 1 34 34 GLN N N 34 112.176 112.176 118.036 -5.860 25744 4311 1 16 . 1 1 34 34 GLN CA C 34 55.304 55.304 56.777 -1.473 25744 4312 1 16 . 1 1 34 34 GLN CB C 34 27.333 27.333 27.906 -0.573 25744 4313 1 16 . 1 1 34 34 GLN H H 34 7.321 7.321 8.301 -0.980 25744 4314 1 16 . 1 1 35 35 PHE N N 35 116.246 116.246 120.101 -3.855 25744 4315 1 16 . 1 1 35 35 PHE CA C 35 59.334 59.334 56.979 2.355 25744 4316 1 16 . 1 1 35 35 PHE CB C 35 41.793 41.793 40.197 1.596 25744 4317 1 16 . 1 1 35 35 PHE H H 35 7.708 7.708 7.839 -0.131 25744 4318 1 16 . 1 1 36 36 LYS N N 36 122.039 122.039 127.957 -5.918 25744 4319 1 16 . 1 1 36 36 LYS CA C 36 54.711 54.711 56.695 -1.984 25744 4320 1 16 . 1 1 36 36 LYS CB C 36 32.193 32.193 31.966 0.227 25744 4321 1 16 . 1 1 36 36 LYS H H 36 9.110 9.110 8.362 0.748 25744 4322 1 16 . 1 1 37 37 PRO CA C 37 66.626 66.626 65.888 0.738 25744 4323 1 16 . 1 1 37 37 PRO CB C 37 32.234 32.234 31.991 0.244 25744 4324 1 16 . 1 1 39 39 THR N N 39 115.976 115.976 112.732 3.244 25744 4325 1 16 . 1 1 39 39 THR CA C 39 65.971 65.971 66.315 -0.344 25744 4326 1 16 . 1 1 39 39 THR CB C 39 69.550 69.550 68.374 1.176 25744 4327 1 16 . 1 1 39 39 THR H H 39 7.046 7.046 7.692 -0.646 25744 4328 1 16 . 1 1 40 40 TRP N N 40 120.053 120.053 124.050 -3.997 25744 4329 1 16 . 1 1 40 40 TRP CA C 40 60.163 60.163 59.923 0.240 25744 4330 1 16 . 1 1 40 40 TRP CB C 40 30.317 30.317 29.725 0.592 25744 4331 1 16 . 1 1 40 40 TRP H H 40 7.810 7.810 8.616 -0.806 25744 4332 1 16 . 1 1 41 41 ALA N N 41 117.049 117.049 121.890 -4.841 25744 4333 1 16 . 1 1 41 41 ALA CA C 41 54.119 54.119 55.045 -0.926 25744 4334 1 16 . 1 1 41 41 ALA CB C 41 18.800 18.800 17.783 1.017 25744 4335 1 16 . 1 1 41 41 ALA H H 41 8.117 8.117 8.696 -0.579 25744 4336 1 16 . 1 1 42 42 ALA N N 42 120.416 120.416 121.498 -1.082 25744 4337 1 16 . 1 1 42 42 ALA CA C 42 53.408 53.408 54.348 -0.940 25744 4338 1 16 . 1 1 42 42 ALA CB C 42 18.020 18.020 18.517 -0.496 25744 4339 1 16 . 1 1 42 42 ALA H H 42 7.678 7.678 7.782 -0.104 25744 4340 1 16 . 1 1 43 43 PHE N N 43 113.805 113.805 115.501 -1.696 25744 4341 1 16 . 1 1 43 43 PHE CA C 43 57.911 57.911 56.702 1.209 25744 4342 1 16 . 1 1 43 43 PHE CB C 43 38.711 38.711 38.297 0.414 25744 4343 1 16 . 1 1 43 43 PHE H H 43 7.044 7.044 7.566 -0.522 25744 4344 1 16 . 1 1 44 44 GLY N N 44 104.034 104.034 107.910 -3.876 25744 4345 1 16 . 1 1 44 44 GLY CA C 44 45.963 45.963 44.936 1.027 25744 4346 1 16 . 1 1 44 44 GLY H H 44 7.099 7.099 8.148 -1.049 25744 4347 1 16 . 1 1 45 45 GLY N N 45 110.240 110.240 108.007 2.233 25744 4348 1 16 . 1 1 45 45 GLY CA C 45 44.622 44.622 45.668 -1.046 25744 4349 1 16 . 1 1 45 45 GLY H H 45 8.015 8.015 8.208 -0.193 25744 4350 1 16 . 1 1 46 46 VAL N N 46 122.532 122.532 119.989 2.543 25744 4351 1 16 . 1 1 46 46 VAL CA C 46 60.910 60.910 62.656 -1.746 25744 4352 1 16 . 1 1 46 46 VAL CB C 46 34.444 34.444 32.843 1.601 25744 4353 1 16 . 1 1 46 46 VAL H H 46 7.854 7.854 7.701 0.153 25744 4354 1 16 . 1 1 47 47 GLY N N 47 114.605 114.605 115.040 -0.435 25744 4355 1 16 . 1 1 47 47 GLY CA C 47 45.230 45.230 45.999 -0.769 25744 4356 1 16 . 1 1 48 48 ASN N N 48 121.458 121.458 121.219 0.239 25744 4357 1 16 . 1 1 48 48 ASN CA C 48 57.494 57.494 57.524 -0.030 25744 4358 1 16 . 1 1 48 48 ASN CB C 48 31.011 31.011 36.641 -5.630 25744 4359 1 16 . 1 1 48 48 ASN H H 48 8.500 8.500 8.414 0.086 25744 4360 1 16 . 1 1 49 49 PRO CA C 49 64.978 64.978 65.144 -0.166 25744 4361 1 16 . 1 1 49 49 PRO CB C 49 30.885 30.885 30.578 0.307 25744 4362 1 16 . 1 1 50 50 ALA N N 50 110.593 110.593 120.613 -10.020 25744 4363 1 16 . 1 1 50 50 ALA CA C 50 53.171 53.171 53.805 -0.634 25744 4364 1 16 . 1 1 50 50 ALA CB C 50 18.404 18.404 18.866 -0.462 25744 4365 1 16 . 1 1 50 50 ALA H H 50 7.787 7.787 7.334 0.453 25744 4366 1 16 . 1 1 51 51 ALA N N 51 118.962 118.962 121.135 -2.173 25744 4367 1 16 . 1 1 51 51 ALA CA C 51 51.037 51.037 52.307 -1.270 25744 4368 1 16 . 1 1 51 51 ALA CB C 51 19.507 19.507 19.689 -0.183 25744 4369 1 16 . 1 1 51 51 ALA H H 51 7.436 7.436 8.238 -0.802 25744 4370 1 16 . 1 1 52 52 ALA N N 52 122.852 122.852 122.884 -0.032 25744 4371 1 16 . 1 1 52 52 ALA CA C 52 50.682 50.682 52.260 -1.578 25744 4372 1 16 . 1 1 52 52 ALA CB C 52 20.654 20.654 18.921 1.733 25744 4373 1 16 . 1 1 52 52 ALA H H 52 7.080 7.080 8.036 -0.956 25744 4374 1 16 . 1 1 53 53 SER N N 53 119.459 119.459 118.807 0.652 25744 4375 1 16 . 1 1 53 53 SER CA C 53 57.437 57.437 57.435 0.002 25744 4376 1 16 . 1 1 53 53 SER CB C 53 64.914 64.914 64.022 0.892 25744 4377 1 16 . 1 1 53 53 SER H H 53 8.916 8.916 8.391 0.525 25744 4378 1 16 . 1 1 54 54 ARG N N 54 122.357 122.357 123.692 -1.335 25744 4379 1 16 . 1 1 54 54 ARG CA C 54 59.334 59.334 59.429 -0.095 25744 4380 1 16 . 1 1 54 54 ARG CB C 54 29.111 29.111 29.002 0.109 25744 4381 1 16 . 1 1 54 54 ARG H H 54 8.791 8.791 8.600 0.191 25744 4382 1 16 . 1 1 55 55 GLU N N 55 114.989 114.989 117.777 -2.788 25744 4383 1 16 . 1 1 55 55 GLU CA C 55 61.348 61.348 58.216 3.132 25744 4384 1 16 . 1 1 55 55 GLU CB C 55 28.756 28.756 29.289 -0.533 25744 4385 1 16 . 1 1 55 55 GLU H H 55 8.214 8.214 8.363 -0.149 25744 4386 1 16 . 1 1 56 56 GLN N N 56 121.065 121.065 119.252 1.813 25744 4387 1 16 . 1 1 56 56 GLN CA C 56 58.504 58.504 58.130 0.374 25744 4388 1 16 . 1 1 56 56 GLN CB C 56 29.704 29.704 28.592 1.112 25744 4389 1 16 . 1 1 56 56 GLN H H 56 7.975 7.975 7.606 0.369 25744 4390 1 16 . 1 1 57 57 GLN N N 57 120.192 120.192 119.970 0.222 25744 4391 1 16 . 1 1 57 57 GLN CA C 57 60.400 60.400 58.573 1.827 25744 4392 1 16 . 1 1 57 57 GLN CB C 57 30.178 30.178 28.699 1.479 25744 4393 1 16 . 1 1 57 57 GLN H H 57 8.492 8.492 8.287 0.205 25744 4394 1 16 . 1 1 58 58 ILE N N 58 120.157 120.157 115.809 4.348 25744 4395 1 16 . 1 1 58 58 ILE CA C 58 65.952 65.952 64.232 1.720 25744 4396 1 16 . 1 1 58 58 ILE CB C 58 37.747 37.747 36.110 1.637 25744 4397 1 16 . 1 1 58 58 ILE H H 58 8.347 8.347 7.747 0.600 25744 4398 1 16 . 1 1 59 59 ALA N N 59 121.345 121.345 122.310 -0.965 25744 4399 1 16 . 1 1 59 59 ALA CA C 59 55.304 55.304 55.231 0.073 25744 4400 1 16 . 1 1 59 59 ALA CB C 59 17.970 17.970 17.870 0.100 25744 4401 1 16 . 1 1 59 59 ALA H H 59 7.657 7.657 7.414 0.243 25744 4402 1 16 . 1 1 60 60 VAL N N 60 117.152 117.152 118.892 -1.740 25744 4403 1 16 . 1 1 60 60 VAL CA C 60 66.208 66.208 65.490 0.718 25744 4404 1 16 . 1 1 60 60 VAL CB C 60 31.481 31.481 30.531 0.950 25744 4405 1 16 . 1 1 60 60 VAL H H 60 7.144 7.144 7.606 -0.462 25744 4406 1 16 . 1 1 61 61 ALA N N 61 123.936 123.936 121.947 1.989 25744 4407 1 16 . 1 1 61 61 ALA CA C 61 56.371 56.371 55.328 1.043 25744 4408 1 16 . 1 1 61 61 ALA CB C 61 16.482 16.482 18.082 -1.600 25744 4409 1 16 . 1 1 61 61 ALA H H 61 8.225 8.225 8.501 -0.276 25744 4410 1 16 . 1 1 62 62 ASN N N 62 114.116 114.116 116.230 -2.114 25744 4411 1 16 . 1 1 62 62 ASN CA C 62 56.845 56.845 56.239 0.606 25744 4412 1 16 . 1 1 62 62 ASN CB C 62 38.356 38.356 38.731 -0.375 25744 4413 1 16 . 1 1 62 62 ASN H H 62 8.500 8.500 8.604 -0.104 25744 4414 1 16 . 1 1 63 63 ARG N N 63 122.173 122.173 119.593 2.580 25744 4415 1 16 . 1 1 63 63 ARG CA C 63 59.926 59.926 58.452 1.474 25744 4416 1 16 . 1 1 63 63 ARG CB C 63 30.889 30.889 30.664 0.225 25744 4417 1 16 . 1 1 63 63 ARG H H 63 7.474 7.474 7.736 -0.262 25744 4418 1 16 . 1 1 64 64 VAL N N 64 121.659 121.659 121.136 0.523 25744 4419 1 16 . 1 1 64 64 VAL CA C 64 65.852 65.852 66.422 -0.570 25744 4420 1 16 . 1 1 64 64 VAL CB C 64 31.718 31.718 30.644 1.074 25744 4421 1 16 . 1 1 64 64 VAL H H 64 8.107 8.107 8.489 -0.382 25744 4422 1 16 . 1 1 65 65 LEU N N 65 120.681 120.681 119.784 0.897 25744 4423 1 16 . 1 1 65 65 LEU CA C 65 57.556 57.556 58.923 -1.367 25744 4424 1 16 . 1 1 65 65 LEU CB C 65 43.333 43.333 40.965 2.368 25744 4425 1 16 . 1 1 65 65 LEU H H 65 8.948 8.948 8.482 0.466 25744 4426 1 16 . 1 1 66 66 ALA N N 66 118.509 118.509 121.732 -3.223 25744 4427 1 16 . 1 1 66 66 ALA CA C 66 54.830 54.830 54.877 -0.047 25744 4428 1 16 . 1 1 66 66 ALA CB C 66 19.155 19.155 18.015 1.140 25744 4429 1 16 . 1 1 66 66 ALA H H 66 7.390 7.390 7.845 -0.455 25744 4430 1 16 . 1 1 67 67 GLU N N 67 114.309 114.309 119.198 -4.889 25744 4431 1 16 . 1 1 67 67 GLU CA C 67 57.700 57.700 58.195 -0.495 25744 4432 1 16 . 1 1 67 67 GLU CB C 67 32.531 32.531 29.706 2.825 25744 4433 1 16 . 1 1 67 67 GLU H H 67 7.369 7.369 7.795 -0.426 25744 4434 1 16 . 1 1 68 68 GLN N N 68 116.281 116.281 118.100 -1.819 25744 4435 1 16 . 1 1 68 68 GLN CA C 68 55.778 55.778 55.552 0.226 25744 4436 1 16 . 1 1 68 68 GLN CB C 68 30.889 30.889 30.178 0.711 25744 4437 1 16 . 1 1 68 68 GLN H H 68 8.914 8.914 8.329 0.585 25744 4438 1 16 . 1 1 69 69 GLY N N 69 109.577 109.577 107.461 2.116 25744 4439 1 16 . 1 1 69 69 GLY CA C 69 45.941 45.941 44.522 1.419 25744 4440 1 16 . 1 1 69 69 GLY H H 69 8.134 8.134 7.835 0.299 25744 4441 1 16 . 1 1 70 70 LEU N N 70 121.331 121.331 117.143 4.188 25744 4442 1 16 . 1 1 70 70 LEU CA C 70 54.522 54.522 56.298 -1.776 25744 4443 1 16 . 1 1 70 70 LEU CB C 70 41.954 41.954 41.208 0.746 25744 4444 1 16 . 1 1 70 70 LEU H H 70 8.519 8.519 8.363 0.156 25744 4445 1 16 . 1 1 71 71 ASP N N 71 120.681 120.681 121.850 -1.169 25744 4446 1 16 . 1 1 71 71 ASP CA C 71 57.082 57.082 55.772 1.310 25744 4447 1 16 . 1 1 71 71 ASP CB C 71 40.844 40.844 40.623 0.221 25744 4448 1 16 . 1 1 71 71 ASP H H 71 7.718 7.718 8.025 -0.307 25744 4449 1 16 . 1 1 72 72 ALA N N 72 119.110 119.110 122.156 -3.046 25744 4450 1 16 . 1 1 72 72 ALA CA C 72 53.289 53.289 53.574 -0.285 25744 4451 1 16 . 1 1 72 72 ALA CB C 72 15.885 15.885 18.543 -2.658 25744 4452 1 16 . 1 1 72 72 ALA H H 72 8.009 8.009 7.828 0.181 25744 4453 1 16 . 1 1 73 73 TRP N N 73 117.503 117.503 117.727 -0.224 25744 4454 1 16 . 1 1 73 73 TRP CA C 73 56.963 56.963 54.254 2.709 25744 4455 1 16 . 1 1 73 73 TRP CB C 73 28.163 28.163 29.127 -0.964 25744 4456 1 16 . 1 1 73 73 TRP H H 73 7.791 7.791 7.969 -0.178 25744 4457 1 16 . 1 1 74 74 PRO CA C 74 65.586 65.586 65.325 0.261 25744 4458 1 16 . 1 1 74 74 PRO CB C 74 32.234 32.234 31.654 0.580 25744 4459 1 16 . 1 1 75 75 THR N N 75 111.008 111.008 114.099 -3.091 25744 4460 1 16 . 1 1 75 75 THR CA C 75 63.482 63.482 63.265 0.217 25744 4461 1 16 . 1 1 75 75 THR CB C 75 68.815 68.815 68.819 -0.004 25744 4462 1 16 . 1 1 75 75 THR H H 75 8.197 8.197 8.392 -0.195 25744 4463 1 16 . 1 1 76 76 CYS N N 76 119.131 119.131 120.082 -0.951 25744 4464 1 16 . 1 1 76 76 CYS CA C 76 54.853 54.853 59.260 -4.407 25744 4465 1 16 . 1 1 76 76 CYS CB C 76 39.280 39.280 27.745 11.535 25744 4466 1 16 . 1 1 76 76 CYS H H 76 8.144 8.144 8.113 0.031 25744 4467 1 16 . 1 1 77 77 GLY N N 77 110.834 110.834 110.965 -0.131 25744 4468 1 16 . 1 1 77 77 GLY CA C 77 48.430 48.430 45.034 3.396 25744 4469 1 16 . 1 1 77 77 GLY H H 77 8.774 8.774 7.891 0.883 25744 4470 1 16 . 1 1 78 78 ALA N N 78 123.300 123.300 125.381 -2.081 25744 4471 1 16 . 1 1 78 78 ALA CA C 78 53.882 53.882 53.595 0.287 25744 4472 1 16 . 1 1 78 78 ALA CB C 78 18.563 18.563 16.977 1.586 25744 4473 1 16 . 1 1 78 78 ALA H H 78 8.142 8.142 8.026 0.116 25744 4474 1 16 . 1 1 80 80 SER N N 80 111.423 111.423 112.584 -1.161 25744 4475 1 16 . 1 1 80 80 SER CA C 80 59.723 59.723 58.275 1.448 25744 4476 1 16 . 1 1 80 80 SER CB C 80 63.648 63.648 64.307 -0.659 25744 4477 1 16 . 1 1 80 80 SER H H 80 7.742 7.742 7.814 -0.072 25744 4478 1 16 . 1 1 81 81 GLY N N 81 111.317 111.317 110.753 0.564 25744 4479 1 16 . 1 1 81 81 GLY CA C 81 45.430 45.430 46.077 -0.647 25744 4480 1 16 . 1 1 81 81 GLY H H 81 7.562 7.562 7.814 -0.252 25744 4481 1 17 . 1 1 4 4 GLY N N 4 110.205 110.205 107.841 2.364 25744 4482 1 17 . 1 1 4 4 GLY CA C 4 44.519 44.519 44.621 -0.102 25744 4483 1 17 . 1 1 4 4 GLY H H 4 8.067 8.067 8.263 -0.196 25744 4484 1 17 . 1 1 5 5 PRO CA C 5 63.030 63.030 62.623 0.407 25744 4485 1 17 . 1 1 5 5 PRO CB C 5 32.458 32.458 32.135 0.323 25744 4486 1 17 . 1 1 6 6 SER N N 6 116.630 116.630 116.940 -0.310 25744 4487 1 17 . 1 1 6 6 SER CA C 6 56.015 56.015 57.597 -1.582 25744 4488 1 17 . 1 1 6 6 SER CB C 6 63.363 63.363 63.592 -0.229 25744 4489 1 17 . 1 1 6 6 SER H H 6 8.304 8.304 8.406 -0.102 25744 4490 1 17 . 1 1 7 7 PRO CA C 7 62.430 62.430 62.924 -0.494 25744 4491 1 17 . 1 1 7 7 PRO CB C 7 30.960 30.960 31.987 -1.027 25744 4492 1 17 . 1 1 8 8 ASN N N 8 120.122 120.122 124.109 -3.987 25744 4493 1 17 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.111 -1.311 25744 4494 1 17 . 1 1 8 8 ASN CB C 8 36.222 36.222 37.364 -1.142 25744 4495 1 17 . 1 1 8 8 ASN H H 8 8.667 8.667 8.733 -0.066 25744 4496 1 17 . 1 1 9 9 TRP N N 9 123.684 123.684 123.751 -0.067 25744 4497 1 17 . 1 1 9 9 TRP CA C 9 59.215 59.215 61.461 -2.246 25744 4498 1 17 . 1 1 9 9 TRP CB C 9 30.780 30.780 29.637 1.143 25744 4499 1 17 . 1 1 9 9 TRP H H 9 7.691 7.691 8.349 -0.658 25744 4500 1 17 . 1 1 10 10 ASP N N 10 118.132 118.132 118.863 -0.731 25744 4501 1 17 . 1 1 10 10 ASP CA C 10 58.622 58.622 57.167 1.455 25744 4502 1 17 . 1 1 10 10 ASP CB C 10 40.844 40.844 39.737 1.107 25744 4503 1 17 . 1 1 10 10 ASP H H 10 8.320 8.320 8.759 -0.439 25744 4504 1 17 . 1 1 11 11 ALA N N 11 124.299 124.299 121.877 2.422 25744 4505 1 17 . 1 1 11 11 ALA CA C 11 54.593 54.593 54.581 0.011 25744 4506 1 17 . 1 1 11 11 ALA CB C 11 18.681 18.681 18.567 0.114 25744 4507 1 17 . 1 1 11 11 ALA H H 11 7.395 7.395 8.077 -0.682 25744 4508 1 17 . 1 1 12 12 VAL N N 12 120.997 120.997 118.486 2.511 25744 4509 1 17 . 1 1 12 12 VAL CA C 12 66.682 66.682 65.867 0.815 25744 4510 1 17 . 1 1 12 12 VAL CB C 12 31.481 31.481 30.332 1.149 25744 4511 1 17 . 1 1 12 12 VAL H H 12 7.464 7.464 8.388 -0.924 25744 4512 1 17 . 1 1 13 13 ALA N N 13 121.205 121.205 121.396 -0.191 25744 4513 1 17 . 1 1 13 13 ALA CA C 13 54.711 54.711 55.616 -0.905 25744 4514 1 17 . 1 1 13 13 ALA CB C 13 18.918 18.918 17.984 0.934 25744 4515 1 17 . 1 1 13 13 ALA H H 13 8.523 8.523 8.528 -0.005 25744 4516 1 17 . 1 1 14 14 GLN N N 14 120.926 120.926 116.272 4.654 25744 4517 1 17 . 1 1 14 14 GLN CA C 14 58.978 58.978 57.604 1.374 25744 4518 1 17 . 1 1 14 14 GLN CB C 14 27.689 27.689 28.515 -0.826 25744 4519 1 17 . 1 1 14 14 GLN H H 14 8.046 8.046 8.096 -0.050 25744 4520 1 17 . 1 1 15 15 CYS N N 15 118.916 118.916 117.649 1.267 25744 4521 1 17 . 1 1 15 15 CYS CA C 15 59.334 59.334 59.141 0.193 25744 4522 1 17 . 1 1 15 15 CYS CB C 15 35.748 35.748 28.191 7.557 25744 4523 1 17 . 1 1 15 15 CYS H H 15 7.108 7.108 7.778 -0.670 25744 4524 1 17 . 1 1 16 16 GLU N N 16 120.227 120.227 120.189 0.038 25744 4525 1 17 . 1 1 16 16 GLU CA C 16 58.978 58.978 58.231 0.747 25744 4526 1 17 . 1 1 16 16 GLU CB C 16 30.051 30.051 30.600 -0.549 25744 4527 1 17 . 1 1 16 16 GLU H H 16 8.776 8.776 8.383 0.393 25744 4528 1 17 . 1 1 17 17 SER N N 17 109.577 109.577 112.637 -3.060 25744 4529 1 17 . 1 1 17 17 SER CA C 17 57.771 57.771 58.990 -1.219 25744 4530 1 17 . 1 1 17 17 SER CB C 17 66.563 66.563 65.555 1.008 25744 4531 1 17 . 1 1 17 17 SER H H 17 8.467 8.467 8.324 0.143 25744 4532 1 17 . 1 1 18 18 GLY N N 18 113.669 113.669 111.032 2.637 25744 4533 1 17 . 1 1 18 18 GLY CA C 18 46.652 46.652 45.025 1.627 25744 4534 1 17 . 1 1 18 18 GLY H H 18 7.598 7.598 7.733 -0.135 25744 4535 1 17 . 1 1 19 19 GLY N N 19 106.884 106.884 106.324 0.560 25744 4536 1 17 . 1 1 19 19 GLY CA C 19 45.467 45.467 44.771 0.696 25744 4537 1 17 . 1 1 19 19 GLY H H 19 7.476 7.476 7.768 -0.292 25744 4538 1 17 . 1 1 20 20 ASN N N 20 116.428 116.428 119.252 -2.824 25744 4539 1 17 . 1 1 20 20 ASN CA C 20 50.445 50.445 53.008 -2.563 25744 4540 1 17 . 1 1 20 20 ASN CB C 20 38.510 38.510 39.704 -1.194 25744 4541 1 17 . 1 1 20 20 ASN H H 20 6.580 6.580 8.176 -1.596 25744 4542 1 17 . 1 1 21 21 TRP N N 21 124.313 124.313 122.036 2.277 25744 4543 1 17 . 1 1 21 21 TRP CA C 21 60.400 60.400 60.050 0.350 25744 4544 1 17 . 1 1 21 21 TRP CB C 21 27.689 27.689 29.449 -1.760 25744 4545 1 17 . 1 1 21 21 TRP H H 21 8.262 8.262 8.260 0.002 25744 4546 1 17 . 1 1 22 22 ALA N N 22 120.192 120.192 118.384 1.808 25744 4547 1 17 . 1 1 22 22 ALA CA C 22 50.208 50.208 52.950 -2.742 25744 4548 1 17 . 1 1 22 22 ALA CB C 22 19.037 19.037 18.027 1.010 25744 4549 1 17 . 1 1 22 22 ALA H H 22 7.668 7.668 8.050 -0.382 25744 4550 1 17 . 1 1 23 23 ALA N N 23 121.314 121.314 121.104 0.210 25744 4551 1 17 . 1 1 23 23 ALA CA C 23 54.711 54.711 52.480 2.231 25744 4552 1 17 . 1 1 23 23 ALA CB C 23 18.701 18.701 17.161 1.540 25744 4553 1 17 . 1 1 23 23 ALA H H 23 6.929 6.929 7.938 -1.009 25744 4554 1 17 . 1 1 24 24 ASN N N 24 119.494 119.494 120.136 -0.642 25744 4555 1 17 . 1 1 24 24 ASN CA C 24 52.459 52.459 53.155 -0.696 25744 4556 1 17 . 1 1 24 24 ASN CB C 24 37.170 37.170 37.023 0.147 25744 4557 1 17 . 1 1 24 24 ASN H H 24 8.678 8.678 8.713 -0.035 25744 4558 1 17 . 1 1 25 25 THR N N 25 113.697 113.697 109.408 4.289 25744 4559 1 17 . 1 1 25 25 THR CA C 25 61.941 61.941 61.914 0.027 25744 4560 1 17 . 1 1 25 25 THR CB C 25 69.171 69.171 68.720 0.451 25744 4561 1 17 . 1 1 25 25 THR H H 25 9.174 9.174 8.043 1.131 25744 4562 1 17 . 1 1 26 26 GLY N N 26 110.554 110.554 112.610 -2.056 25744 4563 1 17 . 1 1 26 26 GLY CA C 26 45.822 45.822 45.158 0.664 25744 4564 1 17 . 1 1 26 26 GLY H H 26 8.381 8.381 8.334 0.047 25744 4565 1 17 . 1 1 27 27 ASN N N 27 118.272 118.272 119.258 -0.986 25744 4566 1 17 . 1 1 27 27 ASN CA C 27 51.985 51.985 51.683 0.302 25744 4567 1 17 . 1 1 27 27 ASN CB C 27 37.436 37.436 38.355 -0.919 25744 4568 1 17 . 1 1 27 27 ASN H H 27 7.718 7.718 8.199 -0.481 25744 4569 1 17 . 1 1 28 28 GLY N N 28 108.669 108.669 106.252 2.417 25744 4570 1 17 . 1 1 28 28 GLY CA C 28 45.348 45.348 45.898 -0.550 25744 4571 1 17 . 1 1 28 28 GLY H H 28 8.287 8.287 7.509 0.778 25744 4572 1 17 . 1 1 29 29 LYS N N 29 116.881 116.881 118.630 -1.749 25744 4573 1 17 . 1 1 29 29 LYS CA C 29 54.119 54.119 55.336 -1.217 25744 4574 1 17 . 1 1 29 29 LYS CB C 29 35.184 35.184 35.785 -0.601 25744 4575 1 17 . 1 1 29 29 LYS H H 29 7.256 7.256 7.302 -0.046 25744 4576 1 17 . 1 1 30 30 TYR N N 30 115.548 115.548 119.153 -3.605 25744 4577 1 17 . 1 1 30 30 TYR CA C 30 58.148 58.148 57.441 0.706 25744 4578 1 17 . 1 1 30 30 TYR CB C 30 44.163 44.163 41.889 2.274 25744 4579 1 17 . 1 1 30 30 TYR H H 30 8.421 8.421 8.344 0.077 25744 4580 1 17 . 1 1 31 31 GLY N N 31 110.774 110.774 108.598 2.176 25744 4581 1 17 . 1 1 31 31 GLY CA C 31 44.767 44.767 45.721 -0.954 25744 4582 1 17 . 1 1 31 31 GLY H H 31 9.969 9.969 8.656 1.313 25744 4583 1 17 . 1 1 32 32 GLY N N 32 109.262 109.262 107.725 1.537 25744 4584 1 17 . 1 1 32 32 GLY CA C 32 46.193 46.193 45.583 0.611 25744 4585 1 17 . 1 1 32 32 GLY H H 32 9.008 9.008 7.833 1.175 25744 4586 1 17 . 1 1 33 33 LEU N N 33 115.269 115.269 119.787 -4.518 25744 4587 1 17 . 1 1 33 33 LEU CA C 33 52.815 52.815 54.218 -1.403 25744 4588 1 17 . 1 1 33 33 LEU CB C 33 41.556 41.556 41.681 -0.125 25744 4589 1 17 . 1 1 33 33 LEU H H 33 7.843 7.843 7.339 0.504 25744 4590 1 17 . 1 1 34 34 GLN N N 34 112.176 112.176 114.353 -2.177 25744 4591 1 17 . 1 1 34 34 GLN CA C 34 55.304 55.304 56.811 -1.507 25744 4592 1 17 . 1 1 34 34 GLN CB C 34 27.333 27.333 26.664 0.669 25744 4593 1 17 . 1 1 34 34 GLN H H 34 7.321 7.321 8.049 -0.728 25744 4594 1 17 . 1 1 35 35 PHE N N 35 116.246 116.246 120.339 -4.093 25744 4595 1 17 . 1 1 35 35 PHE CA C 35 59.334 59.334 56.883 2.451 25744 4596 1 17 . 1 1 35 35 PHE CB C 35 41.793 41.793 40.003 1.790 25744 4597 1 17 . 1 1 35 35 PHE H H 35 7.708 7.708 8.009 -0.301 25744 4598 1 17 . 1 1 36 36 LYS N N 36 122.039 122.039 127.640 -5.601 25744 4599 1 17 . 1 1 36 36 LYS CA C 36 54.711 54.711 56.373 -1.662 25744 4600 1 17 . 1 1 36 36 LYS CB C 36 32.193 32.193 31.890 0.303 25744 4601 1 17 . 1 1 36 36 LYS H H 36 9.110 9.110 8.440 0.670 25744 4602 1 17 . 1 1 37 37 PRO CA C 37 66.626 66.626 65.660 0.966 25744 4603 1 17 . 1 1 37 37 PRO CB C 37 32.234 32.234 31.841 0.393 25744 4604 1 17 . 1 1 39 39 THR N N 39 115.976 115.976 114.891 1.085 25744 4605 1 17 . 1 1 39 39 THR CA C 39 65.971 65.971 65.835 0.136 25744 4606 1 17 . 1 1 39 39 THR CB C 39 69.550 69.550 68.401 1.149 25744 4607 1 17 . 1 1 39 39 THR H H 39 7.046 7.046 7.434 -0.388 25744 4608 1 17 . 1 1 40 40 TRP N N 40 120.053 120.053 123.715 -3.662 25744 4609 1 17 . 1 1 40 40 TRP CA C 40 60.163 60.163 59.827 0.336 25744 4610 1 17 . 1 1 40 40 TRP CB C 40 30.317 30.317 29.690 0.627 25744 4611 1 17 . 1 1 40 40 TRP H H 40 7.810 7.810 8.248 -0.438 25744 4612 1 17 . 1 1 41 41 ALA N N 41 117.049 117.049 121.596 -4.547 25744 4613 1 17 . 1 1 41 41 ALA CA C 41 54.119 54.119 54.977 -0.858 25744 4614 1 17 . 1 1 41 41 ALA CB C 41 18.800 18.800 17.788 1.012 25744 4615 1 17 . 1 1 41 41 ALA H H 41 8.117 8.117 8.768 -0.651 25744 4616 1 17 . 1 1 42 42 ALA N N 42 120.416 120.416 122.059 -1.643 25744 4617 1 17 . 1 1 42 42 ALA CA C 42 53.408 53.408 54.574 -1.166 25744 4618 1 17 . 1 1 42 42 ALA CB C 42 18.020 18.020 18.634 -0.614 25744 4619 1 17 . 1 1 42 42 ALA H H 42 7.678 7.678 7.865 -0.188 25744 4620 1 17 . 1 1 43 43 PHE N N 43 113.805 113.805 116.352 -2.547 25744 4621 1 17 . 1 1 43 43 PHE CA C 43 57.911 57.911 56.313 1.598 25744 4622 1 17 . 1 1 43 43 PHE CB C 43 38.711 38.711 38.342 0.369 25744 4623 1 17 . 1 1 43 43 PHE H H 43 7.044 7.044 7.472 -0.428 25744 4624 1 17 . 1 1 44 44 GLY N N 44 104.034 104.034 107.620 -3.586 25744 4625 1 17 . 1 1 44 44 GLY CA C 44 45.963 45.963 44.882 1.081 25744 4626 1 17 . 1 1 44 44 GLY H H 44 7.099 7.099 8.171 -1.072 25744 4627 1 17 . 1 1 45 45 GLY N N 45 110.240 110.240 108.431 1.809 25744 4628 1 17 . 1 1 45 45 GLY CA C 45 44.622 44.622 45.730 -1.108 25744 4629 1 17 . 1 1 45 45 GLY H H 45 8.015 8.015 8.080 -0.065 25744 4630 1 17 . 1 1 46 46 VAL N N 46 122.532 122.532 120.377 2.155 25744 4631 1 17 . 1 1 46 46 VAL CA C 46 60.910 60.910 62.825 -1.915 25744 4632 1 17 . 1 1 46 46 VAL CB C 46 34.444 34.444 32.141 2.303 25744 4633 1 17 . 1 1 46 46 VAL H H 46 7.854 7.854 7.809 0.045 25744 4634 1 17 . 1 1 47 47 GLY N N 47 114.605 114.605 113.599 1.006 25744 4635 1 17 . 1 1 47 47 GLY CA C 47 45.230 45.230 45.476 -0.246 25744 4636 1 17 . 1 1 48 48 ASN N N 48 121.458 121.458 120.602 0.856 25744 4637 1 17 . 1 1 48 48 ASN CA C 48 57.494 57.494 57.703 -0.209 25744 4638 1 17 . 1 1 48 48 ASN CB C 48 31.011 31.011 37.365 -6.354 25744 4639 1 17 . 1 1 48 48 ASN H H 48 8.500 8.500 8.435 0.065 25744 4640 1 17 . 1 1 49 49 PRO CA C 49 64.978 64.978 64.657 0.321 25744 4641 1 17 . 1 1 49 49 PRO CB C 49 30.885 30.885 30.619 0.267 25744 4642 1 17 . 1 1 50 50 ALA N N 50 110.593 110.593 120.940 -10.347 25744 4643 1 17 . 1 1 50 50 ALA CA C 50 53.171 53.171 53.802 -0.631 25744 4644 1 17 . 1 1 50 50 ALA CB C 50 18.404 18.404 18.224 0.180 25744 4645 1 17 . 1 1 50 50 ALA H H 50 7.787 7.787 7.553 0.234 25744 4646 1 17 . 1 1 51 51 ALA N N 51 118.962 118.962 120.887 -1.925 25744 4647 1 17 . 1 1 51 51 ALA CA C 51 51.037 51.037 51.949 -0.912 25744 4648 1 17 . 1 1 51 51 ALA CB C 51 19.507 19.507 19.860 -0.353 25744 4649 1 17 . 1 1 51 51 ALA H H 51 7.436 7.436 7.548 -0.112 25744 4650 1 17 . 1 1 52 52 ALA N N 52 122.852 122.852 122.615 0.237 25744 4651 1 17 . 1 1 52 52 ALA CA C 52 50.682 50.682 52.125 -1.443 25744 4652 1 17 . 1 1 52 52 ALA CB C 52 20.654 20.654 19.295 1.359 25744 4653 1 17 . 1 1 52 52 ALA H H 52 7.080 7.080 7.952 -0.872 25744 4654 1 17 . 1 1 53 53 SER N N 53 119.459 119.459 119.693 -0.234 25744 4655 1 17 . 1 1 53 53 SER CA C 53 57.437 57.437 58.003 -0.566 25744 4656 1 17 . 1 1 53 53 SER CB C 53 64.914 64.914 63.694 1.220 25744 4657 1 17 . 1 1 53 53 SER H H 53 8.916 8.916 8.460 0.456 25744 4658 1 17 . 1 1 54 54 ARG N N 54 122.357 122.357 123.775 -1.418 25744 4659 1 17 . 1 1 54 54 ARG CA C 54 59.334 59.334 59.347 -0.013 25744 4660 1 17 . 1 1 54 54 ARG CB C 54 29.111 29.111 29.034 0.077 25744 4661 1 17 . 1 1 54 54 ARG H H 54 8.791 8.791 8.566 0.225 25744 4662 1 17 . 1 1 55 55 GLU N N 55 114.989 114.989 117.105 -2.116 25744 4663 1 17 . 1 1 55 55 GLU CA C 55 61.348 61.348 58.967 2.381 25744 4664 1 17 . 1 1 55 55 GLU CB C 55 28.756 28.756 29.078 -0.322 25744 4665 1 17 . 1 1 55 55 GLU H H 55 8.214 8.214 8.405 -0.191 25744 4666 1 17 . 1 1 56 56 GLN N N 56 121.065 121.065 119.299 1.766 25744 4667 1 17 . 1 1 56 56 GLN CA C 56 58.504 58.504 58.559 -0.055 25744 4668 1 17 . 1 1 56 56 GLN CB C 56 29.704 29.704 28.706 0.998 25744 4669 1 17 . 1 1 56 56 GLN H H 56 7.975 7.975 7.507 0.468 25744 4670 1 17 . 1 1 57 57 GLN N N 57 120.192 120.192 119.849 0.343 25744 4671 1 17 . 1 1 57 57 GLN CA C 57 60.400 60.400 57.818 2.582 25744 4672 1 17 . 1 1 57 57 GLN CB C 57 30.178 30.178 28.389 1.789 25744 4673 1 17 . 1 1 57 57 GLN H H 57 8.492 8.492 8.344 0.148 25744 4674 1 17 . 1 1 58 58 ILE N N 58 120.157 120.157 116.352 3.805 25744 4675 1 17 . 1 1 58 58 ILE CA C 58 65.952 65.952 64.031 1.921 25744 4676 1 17 . 1 1 58 58 ILE CB C 58 37.747 37.747 36.401 1.346 25744 4677 1 17 . 1 1 58 58 ILE H H 58 8.347 8.347 8.165 0.182 25744 4678 1 17 . 1 1 59 59 ALA N N 59 121.345 121.345 122.752 -1.407 25744 4679 1 17 . 1 1 59 59 ALA CA C 59 55.304 55.304 55.277 0.027 25744 4680 1 17 . 1 1 59 59 ALA CB C 59 17.970 17.970 17.733 0.237 25744 4681 1 17 . 1 1 59 59 ALA H H 59 7.657 7.657 7.443 0.214 25744 4682 1 17 . 1 1 60 60 VAL N N 60 117.152 117.152 118.846 -1.694 25744 4683 1 17 . 1 1 60 60 VAL CA C 60 66.208 66.208 65.162 1.046 25744 4684 1 17 . 1 1 60 60 VAL CB C 60 31.481 31.481 30.449 1.032 25744 4685 1 17 . 1 1 60 60 VAL H H 60 7.144 7.144 7.471 -0.327 25744 4686 1 17 . 1 1 61 61 ALA N N 61 123.936 123.936 121.952 1.984 25744 4687 1 17 . 1 1 61 61 ALA CA C 61 56.371 56.371 55.401 0.970 25744 4688 1 17 . 1 1 61 61 ALA CB C 61 16.482 16.482 18.271 -1.789 25744 4689 1 17 . 1 1 61 61 ALA H H 61 8.225 8.225 8.672 -0.447 25744 4690 1 17 . 1 1 62 62 ASN N N 62 114.116 114.116 116.841 -2.725 25744 4691 1 17 . 1 1 62 62 ASN CA C 62 56.845 56.845 56.609 0.236 25744 4692 1 17 . 1 1 62 62 ASN CB C 62 38.356 38.356 38.718 -0.362 25744 4693 1 17 . 1 1 62 62 ASN H H 62 8.500 8.500 8.490 0.010 25744 4694 1 17 . 1 1 63 63 ARG N N 63 122.173 122.173 120.254 1.919 25744 4695 1 17 . 1 1 63 63 ARG CA C 63 59.926 59.926 58.802 1.124 25744 4696 1 17 . 1 1 63 63 ARG CB C 63 30.889 30.889 30.718 0.171 25744 4697 1 17 . 1 1 63 63 ARG H H 63 7.474 7.474 7.746 -0.272 25744 4698 1 17 . 1 1 64 64 VAL N N 64 121.659 121.659 121.531 0.128 25744 4699 1 17 . 1 1 64 64 VAL CA C 64 65.852 65.852 66.035 -0.183 25744 4700 1 17 . 1 1 64 64 VAL CB C 64 31.718 31.718 31.547 0.171 25744 4701 1 17 . 1 1 64 64 VAL H H 64 8.107 8.107 8.645 -0.538 25744 4702 1 17 . 1 1 65 65 LEU N N 65 120.681 120.681 120.238 0.443 25744 4703 1 17 . 1 1 65 65 LEU CA C 65 57.556 57.556 59.005 -1.449 25744 4704 1 17 . 1 1 65 65 LEU CB C 65 43.333 43.333 40.529 2.804 25744 4705 1 17 . 1 1 65 65 LEU H H 65 8.948 8.948 8.413 0.535 25744 4706 1 17 . 1 1 66 66 ALA N N 66 118.509 118.509 121.291 -2.782 25744 4707 1 17 . 1 1 66 66 ALA CA C 66 54.830 54.830 54.553 0.277 25744 4708 1 17 . 1 1 66 66 ALA CB C 66 19.155 19.155 18.205 0.950 25744 4709 1 17 . 1 1 66 66 ALA H H 66 7.390 7.390 7.789 -0.399 25744 4710 1 17 . 1 1 67 67 GLU N N 67 114.309 114.309 118.992 -4.683 25744 4711 1 17 . 1 1 67 67 GLU CA C 67 57.700 57.700 58.729 -1.029 25744 4712 1 17 . 1 1 67 67 GLU CB C 67 32.531 32.531 30.068 2.463 25744 4713 1 17 . 1 1 67 67 GLU H H 67 7.369 7.369 7.882 -0.513 25744 4714 1 17 . 1 1 68 68 GLN N N 68 116.281 116.281 116.260 0.021 25744 4715 1 17 . 1 1 68 68 GLN CA C 68 55.778 55.778 56.261 -0.484 25744 4716 1 17 . 1 1 68 68 GLN CB C 68 30.889 30.889 32.130 -1.242 25744 4717 1 17 . 1 1 68 68 GLN H H 68 8.914 8.914 8.073 0.841 25744 4718 1 17 . 1 1 69 69 GLY N N 69 109.577 109.577 107.956 1.621 25744 4719 1 17 . 1 1 69 69 GLY CA C 69 45.941 45.941 44.756 1.185 25744 4720 1 17 . 1 1 69 69 GLY H H 69 8.134 8.134 8.071 0.063 25744 4721 1 17 . 1 1 70 70 LEU N N 70 121.331 121.331 118.406 2.925 25744 4722 1 17 . 1 1 70 70 LEU CA C 70 54.522 54.522 57.311 -2.789 25744 4723 1 17 . 1 1 70 70 LEU CB C 70 41.954 41.954 42.310 -0.356 25744 4724 1 17 . 1 1 70 70 LEU H H 70 8.519 8.519 8.509 0.010 25744 4725 1 17 . 1 1 71 71 ASP N N 71 120.681 120.681 121.559 -0.878 25744 4726 1 17 . 1 1 71 71 ASP CA C 71 57.082 57.082 56.970 0.112 25744 4727 1 17 . 1 1 71 71 ASP CB C 71 40.844 40.844 40.128 0.716 25744 4728 1 17 . 1 1 71 71 ASP H H 71 7.718 7.718 8.760 -1.042 25744 4729 1 17 . 1 1 72 72 ALA N N 72 119.110 119.110 121.940 -2.830 25744 4730 1 17 . 1 1 72 72 ALA CA C 72 53.289 53.289 53.372 -0.083 25744 4731 1 17 . 1 1 72 72 ALA CB C 72 15.885 15.885 19.061 -3.176 25744 4732 1 17 . 1 1 72 72 ALA H H 72 8.009 8.009 7.706 0.303 25744 4733 1 17 . 1 1 73 73 TRP N N 73 117.503 117.503 120.005 -2.502 25744 4734 1 17 . 1 1 73 73 TRP CA C 73 56.963 56.963 55.939 1.024 25744 4735 1 17 . 1 1 73 73 TRP CB C 73 28.163 28.163 29.139 -0.976 25744 4736 1 17 . 1 1 73 73 TRP H H 73 7.791 7.791 8.257 -0.466 25744 4737 1 17 . 1 1 74 74 PRO CA C 74 65.586 65.586 62.629 2.957 25744 4738 1 17 . 1 1 74 74 PRO CB C 74 32.234 32.234 32.053 0.181 25744 4739 1 17 . 1 1 75 75 THR N N 75 111.008 111.008 114.094 -3.086 25744 4740 1 17 . 1 1 75 75 THR CA C 75 63.482 63.482 63.349 0.133 25744 4741 1 17 . 1 1 75 75 THR CB C 75 68.815 68.815 68.935 -0.120 25744 4742 1 17 . 1 1 75 75 THR H H 75 8.197 8.197 8.269 -0.072 25744 4743 1 17 . 1 1 76 76 CYS N N 76 119.131 119.131 118.577 0.554 25744 4744 1 17 . 1 1 76 76 CYS CA C 76 54.853 54.853 58.596 -3.743 25744 4745 1 17 . 1 1 76 76 CYS CB C 76 39.280 39.280 29.544 9.736 25744 4746 1 17 . 1 1 76 76 CYS H H 76 8.144 8.144 7.804 0.340 25744 4747 1 17 . 1 1 77 77 GLY N N 77 110.834 110.834 109.740 1.094 25744 4748 1 17 . 1 1 77 77 GLY CA C 77 48.430 48.430 44.978 3.452 25744 4749 1 17 . 1 1 77 77 GLY H H 77 8.774 8.774 7.925 0.849 25744 4750 1 17 . 1 1 78 78 ALA N N 78 123.300 123.300 127.229 -3.929 25744 4751 1 17 . 1 1 78 78 ALA CA C 78 53.882 53.882 53.691 0.191 25744 4752 1 17 . 1 1 78 78 ALA CB C 78 18.563 18.563 17.140 1.423 25744 4753 1 17 . 1 1 78 78 ALA H H 78 8.142 8.142 7.948 0.194 25744 4754 1 17 . 1 1 80 80 SER N N 80 111.423 111.423 110.512 0.911 25744 4755 1 17 . 1 1 80 80 SER CA C 80 59.723 59.723 58.367 1.356 25744 4756 1 17 . 1 1 80 80 SER CB C 80 63.648 63.648 65.475 -1.827 25744 4757 1 17 . 1 1 80 80 SER H H 80 7.742 7.742 7.840 -0.098 25744 4758 1 17 . 1 1 81 81 GLY N N 81 111.317 111.317 111.828 -0.511 25744 4759 1 17 . 1 1 81 81 GLY CA C 81 45.430 45.430 45.952 -0.522 25744 4760 1 17 . 1 1 81 81 GLY H H 81 7.562 7.562 8.142 -0.580 25744 4761 1 18 . 1 1 4 4 GLY N N 4 110.205 110.205 109.566 0.639 25744 4762 1 18 . 1 1 4 4 GLY CA C 4 44.519 44.519 44.735 -0.216 25744 4763 1 18 . 1 1 4 4 GLY H H 4 8.067 8.067 8.382 -0.315 25744 4764 1 18 . 1 1 5 5 PRO CA C 5 63.030 63.030 62.392 0.638 25744 4765 1 18 . 1 1 5 5 PRO CB C 5 32.458 32.458 32.693 -0.235 25744 4766 1 18 . 1 1 6 6 SER N N 6 116.630 116.630 117.003 -0.373 25744 4767 1 18 . 1 1 6 6 SER CA C 6 56.015 56.015 57.642 -1.627 25744 4768 1 18 . 1 1 6 6 SER CB C 6 63.363 63.363 63.450 -0.087 25744 4769 1 18 . 1 1 6 6 SER H H 6 8.304 8.304 8.373 -0.069 25744 4770 1 18 . 1 1 7 7 PRO CA C 7 62.430 62.430 62.957 -0.527 25744 4771 1 18 . 1 1 7 7 PRO CB C 7 30.960 30.960 32.034 -1.074 25744 4772 1 18 . 1 1 8 8 ASN N N 8 120.122 120.122 120.603 -0.481 25744 4773 1 18 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.158 -1.358 25744 4774 1 18 . 1 1 8 8 ASN CB C 8 36.222 36.222 41.383 -5.161 25744 4775 1 18 . 1 1 8 8 ASN H H 8 8.667 8.667 8.337 0.330 25744 4776 1 18 . 1 1 9 9 TRP N N 9 123.684 123.684 122.723 0.961 25744 4777 1 18 . 1 1 9 9 TRP CA C 9 59.215 59.215 61.316 -2.101 25744 4778 1 18 . 1 1 9 9 TRP CB C 9 30.780 30.780 29.641 1.139 25744 4779 1 18 . 1 1 9 9 TRP H H 9 7.691 7.691 8.989 -1.298 25744 4780 1 18 . 1 1 10 10 ASP N N 10 118.132 118.132 119.068 -0.936 25744 4781 1 18 . 1 1 10 10 ASP CA C 10 58.622 58.622 58.438 0.184 25744 4782 1 18 . 1 1 10 10 ASP CB C 10 40.844 40.844 40.302 0.542 25744 4783 1 18 . 1 1 10 10 ASP H H 10 8.320 8.320 8.629 -0.309 25744 4784 1 18 . 1 1 11 11 ALA N N 11 124.299 124.299 122.388 1.911 25744 4785 1 18 . 1 1 11 11 ALA CA C 11 54.593 54.593 54.746 -0.153 25744 4786 1 18 . 1 1 11 11 ALA CB C 11 18.681 18.681 18.456 0.225 25744 4787 1 18 . 1 1 11 11 ALA H H 11 7.395 7.395 7.730 -0.335 25744 4788 1 18 . 1 1 12 12 VAL N N 12 120.997 120.997 119.173 1.824 25744 4789 1 18 . 1 1 12 12 VAL CA C 12 66.682 66.682 65.712 0.970 25744 4790 1 18 . 1 1 12 12 VAL CB C 12 31.481 31.481 30.154 1.327 25744 4791 1 18 . 1 1 12 12 VAL H H 12 7.464 7.464 8.388 -0.924 25744 4792 1 18 . 1 1 13 13 ALA N N 13 121.205 121.205 121.174 0.031 25744 4793 1 18 . 1 1 13 13 ALA CA C 13 54.711 54.711 55.360 -0.649 25744 4794 1 18 . 1 1 13 13 ALA CB C 13 18.918 18.918 17.971 0.947 25744 4795 1 18 . 1 1 13 13 ALA H H 13 8.523 8.523 8.315 0.208 25744 4796 1 18 . 1 1 14 14 GLN N N 14 120.926 120.926 116.281 4.645 25744 4797 1 18 . 1 1 14 14 GLN CA C 14 58.978 58.978 57.148 1.830 25744 4798 1 18 . 1 1 14 14 GLN CB C 14 27.689 27.689 28.779 -1.090 25744 4799 1 18 . 1 1 14 14 GLN H H 14 8.046 8.046 8.118 -0.072 25744 4800 1 18 . 1 1 15 15 CYS N N 15 118.916 118.916 117.396 1.520 25744 4801 1 18 . 1 1 15 15 CYS CA C 15 59.334 59.334 59.359 -0.025 25744 4802 1 18 . 1 1 15 15 CYS CB C 15 35.748 35.748 28.706 7.042 25744 4803 1 18 . 1 1 15 15 CYS H H 15 7.108 7.108 7.639 -0.531 25744 4804 1 18 . 1 1 16 16 GLU N N 16 120.227 120.227 118.718 1.509 25744 4805 1 18 . 1 1 16 16 GLU CA C 16 58.978 58.978 57.538 1.440 25744 4806 1 18 . 1 1 16 16 GLU CB C 16 30.051 30.051 30.897 -0.846 25744 4807 1 18 . 1 1 16 16 GLU H H 16 8.776 8.776 8.485 0.291 25744 4808 1 18 . 1 1 17 17 SER N N 17 109.577 109.577 112.527 -2.950 25744 4809 1 18 . 1 1 17 17 SER CA C 17 57.771 57.771 57.837 -0.066 25744 4810 1 18 . 1 1 17 17 SER CB C 17 66.563 66.563 65.036 1.527 25744 4811 1 18 . 1 1 17 17 SER H H 17 8.467 8.467 8.157 0.310 25744 4812 1 18 . 1 1 18 18 GLY N N 18 113.669 113.669 110.183 3.486 25744 4813 1 18 . 1 1 18 18 GLY CA C 18 46.652 46.652 45.966 0.686 25744 4814 1 18 . 1 1 18 18 GLY H H 18 7.598 7.598 7.855 -0.257 25744 4815 1 18 . 1 1 19 19 GLY N N 19 106.884 106.884 108.021 -1.137 25744 4816 1 18 . 1 1 19 19 GLY CA C 19 45.467 45.467 45.432 0.035 25744 4817 1 18 . 1 1 19 19 GLY H H 19 7.476 7.476 8.110 -0.634 25744 4818 1 18 . 1 1 20 20 ASN N N 20 116.428 116.428 120.167 -3.739 25744 4819 1 18 . 1 1 20 20 ASN CA C 20 50.445 50.445 51.996 -1.551 25744 4820 1 18 . 1 1 20 20 ASN CB C 20 38.510 38.510 40.035 -1.525 25744 4821 1 18 . 1 1 20 20 ASN H H 20 6.580 6.580 8.191 -1.611 25744 4822 1 18 . 1 1 21 21 TRP N N 21 124.313 124.313 124.564 -0.251 25744 4823 1 18 . 1 1 21 21 TRP CA C 21 60.400 60.400 61.773 -1.373 25744 4824 1 18 . 1 1 21 21 TRP CB C 21 27.689 27.689 29.236 -1.547 25744 4825 1 18 . 1 1 21 21 TRP H H 21 8.262 8.262 8.956 -0.694 25744 4826 1 18 . 1 1 22 22 ALA N N 22 120.192 120.192 120.705 -0.513 25744 4827 1 18 . 1 1 22 22 ALA CA C 22 50.208 50.208 53.727 -3.519 25744 4828 1 18 . 1 1 22 22 ALA CB C 22 19.037 19.037 17.810 1.227 25744 4829 1 18 . 1 1 22 22 ALA H H 22 7.668 7.668 8.132 -0.464 25744 4830 1 18 . 1 1 23 23 ALA N N 23 121.314 121.314 119.728 1.586 25744 4831 1 18 . 1 1 23 23 ALA CA C 23 54.711 54.711 52.108 2.603 25744 4832 1 18 . 1 1 23 23 ALA CB C 23 18.701 18.701 17.873 0.828 25744 4833 1 18 . 1 1 23 23 ALA H H 23 6.929 6.929 7.939 -1.010 25744 4834 1 18 . 1 1 24 24 ASN N N 24 119.494 119.494 120.689 -1.195 25744 4835 1 18 . 1 1 24 24 ASN CA C 24 52.459 52.459 52.984 -0.526 25744 4836 1 18 . 1 1 24 24 ASN CB C 24 37.170 37.170 37.475 -0.305 25744 4837 1 18 . 1 1 24 24 ASN H H 24 8.678 8.678 8.865 -0.187 25744 4838 1 18 . 1 1 25 25 THR N N 25 113.697 113.697 109.711 3.986 25744 4839 1 18 . 1 1 25 25 THR CA C 25 61.941 61.941 61.885 0.057 25744 4840 1 18 . 1 1 25 25 THR CB C 25 69.171 69.171 69.308 -0.137 25744 4841 1 18 . 1 1 25 25 THR H H 25 9.174 9.174 8.074 1.100 25744 4842 1 18 . 1 1 26 26 GLY N N 26 110.554 110.554 111.774 -1.220 25744 4843 1 18 . 1 1 26 26 GLY CA C 26 45.822 45.822 45.246 0.576 25744 4844 1 18 . 1 1 26 26 GLY H H 26 8.381 8.381 8.231 0.150 25744 4845 1 18 . 1 1 27 27 ASN N N 27 118.272 118.272 118.912 -0.640 25744 4846 1 18 . 1 1 27 27 ASN CA C 27 51.985 51.985 52.499 -0.514 25744 4847 1 18 . 1 1 27 27 ASN CB C 27 37.436 37.436 38.504 -1.068 25744 4848 1 18 . 1 1 27 27 ASN H H 27 7.718 7.718 8.340 -0.622 25744 4849 1 18 . 1 1 28 28 GLY N N 28 108.669 108.669 107.172 1.497 25744 4850 1 18 . 1 1 28 28 GLY CA C 28 45.348 45.348 45.835 -0.487 25744 4851 1 18 . 1 1 28 28 GLY H H 28 8.287 8.287 8.367 -0.080 25744 4852 1 18 . 1 1 29 29 LYS N N 29 116.881 116.881 119.047 -2.166 25744 4853 1 18 . 1 1 29 29 LYS CA C 29 54.119 54.119 55.370 -1.251 25744 4854 1 18 . 1 1 29 29 LYS CB C 29 35.184 35.184 35.476 -0.292 25744 4855 1 18 . 1 1 29 29 LYS H H 29 7.256 7.256 7.619 -0.363 25744 4856 1 18 . 1 1 30 30 TYR N N 30 115.548 115.548 116.338 -0.790 25744 4857 1 18 . 1 1 30 30 TYR CA C 30 58.148 58.148 55.910 2.238 25744 4858 1 18 . 1 1 30 30 TYR CB C 30 44.163 44.163 40.316 3.846 25744 4859 1 18 . 1 1 30 30 TYR H H 30 8.421 8.421 7.919 0.502 25744 4860 1 18 . 1 1 31 31 GLY N N 31 110.774 110.774 111.358 -0.584 25744 4861 1 18 . 1 1 31 31 GLY CA C 31 44.767 44.767 46.167 -1.400 25744 4862 1 18 . 1 1 31 31 GLY H H 31 9.969 9.969 8.847 1.122 25744 4863 1 18 . 1 1 32 32 GLY N N 32 109.262 109.262 106.202 3.060 25744 4864 1 18 . 1 1 32 32 GLY CA C 32 46.193 46.193 45.267 0.927 25744 4865 1 18 . 1 1 32 32 GLY H H 32 9.008 9.008 8.286 0.722 25744 4866 1 18 . 1 1 33 33 LEU N N 33 115.269 115.269 119.695 -4.426 25744 4867 1 18 . 1 1 33 33 LEU CA C 33 52.815 52.815 54.099 -1.284 25744 4868 1 18 . 1 1 33 33 LEU CB C 33 41.556 41.556 42.614 -1.058 25744 4869 1 18 . 1 1 33 33 LEU H H 33 7.843 7.843 7.812 0.031 25744 4870 1 18 . 1 1 34 34 GLN N N 34 112.176 112.176 115.044 -2.868 25744 4871 1 18 . 1 1 34 34 GLN CA C 34 55.304 55.304 56.735 -1.431 25744 4872 1 18 . 1 1 34 34 GLN CB C 34 27.333 27.333 26.673 0.660 25744 4873 1 18 . 1 1 34 34 GLN H H 34 7.321 7.321 8.073 -0.752 25744 4874 1 18 . 1 1 35 35 PHE N N 35 116.246 116.246 120.395 -4.149 25744 4875 1 18 . 1 1 35 35 PHE CA C 35 59.334 59.334 56.766 2.568 25744 4876 1 18 . 1 1 35 35 PHE CB C 35 41.793 41.793 39.461 2.332 25744 4877 1 18 . 1 1 35 35 PHE H H 35 7.708 7.708 7.839 -0.131 25744 4878 1 18 . 1 1 36 36 LYS N N 36 122.039 122.039 127.918 -5.879 25744 4879 1 18 . 1 1 36 36 LYS CA C 36 54.711 54.711 56.704 -1.993 25744 4880 1 18 . 1 1 36 36 LYS CB C 36 32.193 32.193 32.156 0.037 25744 4881 1 18 . 1 1 36 36 LYS H H 36 9.110 9.110 8.363 0.747 25744 4882 1 18 . 1 1 37 37 PRO CA C 37 66.626 66.626 65.465 1.161 25744 4883 1 18 . 1 1 37 37 PRO CB C 37 32.234 32.234 31.910 0.324 25744 4884 1 18 . 1 1 39 39 THR N N 39 115.976 115.976 114.942 1.034 25744 4885 1 18 . 1 1 39 39 THR CA C 39 65.971 65.971 66.001 -0.030 25744 4886 1 18 . 1 1 39 39 THR CB C 39 69.550 69.550 68.551 0.999 25744 4887 1 18 . 1 1 39 39 THR H H 39 7.046 7.046 7.488 -0.442 25744 4888 1 18 . 1 1 40 40 TRP N N 40 120.053 120.053 123.507 -3.454 25744 4889 1 18 . 1 1 40 40 TRP CA C 40 60.163 60.163 59.652 0.511 25744 4890 1 18 . 1 1 40 40 TRP CB C 40 30.317 30.317 29.435 0.882 25744 4891 1 18 . 1 1 40 40 TRP H H 40 7.810 7.810 7.968 -0.158 25744 4892 1 18 . 1 1 41 41 ALA N N 41 117.049 117.049 121.966 -4.917 25744 4893 1 18 . 1 1 41 41 ALA CA C 41 54.119 54.119 55.048 -0.929 25744 4894 1 18 . 1 1 41 41 ALA CB C 41 18.800 18.800 17.765 1.034 25744 4895 1 18 . 1 1 41 41 ALA H H 41 8.117 8.117 8.281 -0.164 25744 4896 1 18 . 1 1 42 42 ALA N N 42 120.416 120.416 121.848 -1.432 25744 4897 1 18 . 1 1 42 42 ALA CA C 42 53.408 53.408 54.616 -1.208 25744 4898 1 18 . 1 1 42 42 ALA CB C 42 18.020 18.020 18.811 -0.791 25744 4899 1 18 . 1 1 42 42 ALA H H 42 7.678 7.678 7.950 -0.272 25744 4900 1 18 . 1 1 43 43 PHE N N 43 113.805 113.805 116.373 -2.568 25744 4901 1 18 . 1 1 43 43 PHE CA C 43 57.911 57.911 57.444 0.467 25744 4902 1 18 . 1 1 43 43 PHE CB C 43 38.711 38.711 38.693 0.018 25744 4903 1 18 . 1 1 43 43 PHE H H 43 7.044 7.044 7.586 -0.542 25744 4904 1 18 . 1 1 44 44 GLY N N 44 104.034 104.034 107.136 -3.102 25744 4905 1 18 . 1 1 44 44 GLY CA C 44 45.963 45.963 44.759 1.204 25744 4906 1 18 . 1 1 44 44 GLY H H 44 7.099 7.099 8.104 -1.005 25744 4907 1 18 . 1 1 45 45 GLY N N 45 110.240 110.240 107.887 2.353 25744 4908 1 18 . 1 1 45 45 GLY CA C 45 44.622 44.622 45.629 -1.007 25744 4909 1 18 . 1 1 45 45 GLY H H 45 8.015 8.015 8.083 -0.068 25744 4910 1 18 . 1 1 46 46 VAL N N 46 122.532 122.532 120.681 1.851 25744 4911 1 18 . 1 1 46 46 VAL CA C 46 60.910 60.910 62.367 -1.457 25744 4912 1 18 . 1 1 46 46 VAL CB C 46 34.444 34.444 32.642 1.802 25744 4913 1 18 . 1 1 46 46 VAL H H 46 7.854 7.854 7.872 -0.018 25744 4914 1 18 . 1 1 47 47 GLY N N 47 114.605 114.605 115.559 -0.954 25744 4915 1 18 . 1 1 47 47 GLY CA C 47 45.230 45.230 45.956 -0.726 25744 4916 1 18 . 1 1 48 48 ASN N N 48 121.458 121.458 120.902 0.556 25744 4917 1 18 . 1 1 48 48 ASN CA C 48 57.494 57.494 57.303 0.190 25744 4918 1 18 . 1 1 48 48 ASN CB C 48 31.011 31.011 37.288 -6.277 25744 4919 1 18 . 1 1 48 48 ASN H H 48 8.500 8.500 8.476 0.024 25744 4920 1 18 . 1 1 49 49 PRO CA C 49 64.978 64.978 64.659 0.319 25744 4921 1 18 . 1 1 49 49 PRO CB C 49 30.885 30.885 30.387 0.498 25744 4922 1 18 . 1 1 50 50 ALA N N 50 110.593 110.593 121.076 -10.483 25744 4923 1 18 . 1 1 50 50 ALA CA C 50 53.171 53.171 54.161 -0.990 25744 4924 1 18 . 1 1 50 50 ALA CB C 50 18.404 18.404 18.314 0.090 25744 4925 1 18 . 1 1 50 50 ALA H H 50 7.787 7.787 7.375 0.412 25744 4926 1 18 . 1 1 51 51 ALA N N 51 118.962 118.962 120.389 -1.427 25744 4927 1 18 . 1 1 51 51 ALA CA C 51 51.037 51.037 51.931 -0.894 25744 4928 1 18 . 1 1 51 51 ALA CB C 51 19.507 19.507 20.261 -0.754 25744 4929 1 18 . 1 1 51 51 ALA H H 51 7.436 7.436 7.646 -0.210 25744 4930 1 18 . 1 1 52 52 ALA N N 52 122.852 122.852 123.165 -0.313 25744 4931 1 18 . 1 1 52 52 ALA CA C 52 50.682 50.682 52.259 -1.577 25744 4932 1 18 . 1 1 52 52 ALA CB C 52 20.654 20.654 19.130 1.524 25744 4933 1 18 . 1 1 52 52 ALA H H 52 7.080 7.080 8.061 -0.981 25744 4934 1 18 . 1 1 53 53 SER N N 53 119.459 119.459 117.872 1.587 25744 4935 1 18 . 1 1 53 53 SER CA C 53 57.437 57.437 57.186 0.251 25744 4936 1 18 . 1 1 53 53 SER CB C 53 64.914 64.914 64.212 0.702 25744 4937 1 18 . 1 1 53 53 SER H H 53 8.916 8.916 8.473 0.443 25744 4938 1 18 . 1 1 54 54 ARG N N 54 122.357 122.357 125.047 -2.690 25744 4939 1 18 . 1 1 54 54 ARG CA C 54 59.334 59.334 59.601 -0.267 25744 4940 1 18 . 1 1 54 54 ARG CB C 54 29.111 29.111 29.161 -0.050 25744 4941 1 18 . 1 1 54 54 ARG H H 54 8.791 8.791 8.680 0.111 25744 4942 1 18 . 1 1 55 55 GLU N N 55 114.989 114.989 118.151 -3.162 25744 4943 1 18 . 1 1 55 55 GLU CA C 55 61.348 61.348 58.590 2.758 25744 4944 1 18 . 1 1 55 55 GLU CB C 55 28.756 28.756 29.311 -0.555 25744 4945 1 18 . 1 1 55 55 GLU H H 55 8.214 8.214 8.428 -0.214 25744 4946 1 18 . 1 1 56 56 GLN N N 56 121.065 121.065 119.459 1.606 25744 4947 1 18 . 1 1 56 56 GLN CA C 56 58.504 58.504 58.575 -0.071 25744 4948 1 18 . 1 1 56 56 GLN CB C 56 29.704 29.704 28.598 1.106 25744 4949 1 18 . 1 1 56 56 GLN H H 56 7.975 7.975 7.500 0.475 25744 4950 1 18 . 1 1 57 57 GLN N N 57 120.192 120.192 119.795 0.397 25744 4951 1 18 . 1 1 57 57 GLN CA C 57 60.400 60.400 58.508 1.892 25744 4952 1 18 . 1 1 57 57 GLN CB C 57 30.178 30.178 28.707 1.470 25744 4953 1 18 . 1 1 57 57 GLN H H 57 8.492 8.492 8.409 0.083 25744 4954 1 18 . 1 1 58 58 ILE N N 58 120.157 120.157 116.375 3.782 25744 4955 1 18 . 1 1 58 58 ILE CA C 58 65.952 65.952 64.259 1.693 25744 4956 1 18 . 1 1 58 58 ILE CB C 58 37.747 37.747 36.371 1.376 25744 4957 1 18 . 1 1 58 58 ILE H H 58 8.347 8.347 7.850 0.497 25744 4958 1 18 . 1 1 59 59 ALA N N 59 121.345 121.345 122.436 -1.091 25744 4959 1 18 . 1 1 59 59 ALA CA C 59 55.304 55.304 55.364 -0.060 25744 4960 1 18 . 1 1 59 59 ALA CB C 59 17.970 17.970 17.923 0.047 25744 4961 1 18 . 1 1 59 59 ALA H H 59 7.657 7.657 7.598 0.060 25744 4962 1 18 . 1 1 60 60 VAL N N 60 117.152 117.152 118.711 -1.559 25744 4963 1 18 . 1 1 60 60 VAL CA C 60 66.208 66.208 65.353 0.855 25744 4964 1 18 . 1 1 60 60 VAL CB C 60 31.481 31.481 30.469 1.012 25744 4965 1 18 . 1 1 60 60 VAL H H 60 7.144 7.144 7.664 -0.520 25744 4966 1 18 . 1 1 61 61 ALA N N 61 123.936 123.936 122.299 1.637 25744 4967 1 18 . 1 1 61 61 ALA CA C 61 56.371 56.371 55.462 0.909 25744 4968 1 18 . 1 1 61 61 ALA CB C 61 16.482 16.482 18.287 -1.804 25744 4969 1 18 . 1 1 61 61 ALA H H 61 8.225 8.225 8.586 -0.361 25744 4970 1 18 . 1 1 62 62 ASN N N 62 114.116 114.116 116.733 -2.617 25744 4971 1 18 . 1 1 62 62 ASN CA C 62 56.845 56.845 55.976 0.869 25744 4972 1 18 . 1 1 62 62 ASN CB C 62 38.356 38.356 38.567 -0.211 25744 4973 1 18 . 1 1 62 62 ASN H H 62 8.500 8.500 8.508 -0.008 25744 4974 1 18 . 1 1 63 63 ARG N N 63 122.173 122.173 119.807 2.366 25744 4975 1 18 . 1 1 63 63 ARG CA C 63 59.926 59.926 58.693 1.233 25744 4976 1 18 . 1 1 63 63 ARG CB C 63 30.889 30.889 30.571 0.318 25744 4977 1 18 . 1 1 63 63 ARG H H 63 7.474 7.474 7.605 -0.131 25744 4978 1 18 . 1 1 64 64 VAL N N 64 121.659 121.659 121.381 0.278 25744 4979 1 18 . 1 1 64 64 VAL CA C 64 65.852 65.852 65.758 0.094 25744 4980 1 18 . 1 1 64 64 VAL CB C 64 31.718 31.718 31.343 0.375 25744 4981 1 18 . 1 1 64 64 VAL H H 64 8.107 8.107 8.362 -0.255 25744 4982 1 18 . 1 1 65 65 LEU N N 65 120.681 120.681 120.032 0.649 25744 4983 1 18 . 1 1 65 65 LEU CA C 65 57.556 57.556 58.936 -1.380 25744 4984 1 18 . 1 1 65 65 LEU CB C 65 43.333 43.333 40.885 2.448 25744 4985 1 18 . 1 1 65 65 LEU H H 65 8.948 8.948 8.199 0.749 25744 4986 1 18 . 1 1 66 66 ALA N N 66 118.509 118.509 121.467 -2.958 25744 4987 1 18 . 1 1 66 66 ALA CA C 66 54.830 54.830 54.652 0.178 25744 4988 1 18 . 1 1 66 66 ALA CB C 66 19.155 19.155 18.302 0.853 25744 4989 1 18 . 1 1 66 66 ALA H H 66 7.390 7.390 7.852 -0.462 25744 4990 1 18 . 1 1 67 67 GLU N N 67 114.309 114.309 119.285 -4.976 25744 4991 1 18 . 1 1 67 67 GLU CA C 67 57.700 57.700 58.817 -1.117 25744 4992 1 18 . 1 1 67 67 GLU CB C 67 32.531 32.531 30.111 2.420 25744 4993 1 18 . 1 1 67 67 GLU H H 67 7.369 7.369 7.961 -0.592 25744 4994 1 18 . 1 1 68 68 GLN N N 68 116.281 116.281 116.784 -0.503 25744 4995 1 18 . 1 1 68 68 GLN CA C 68 55.778 55.778 55.590 0.188 25744 4996 1 18 . 1 1 68 68 GLN CB C 68 30.889 30.889 30.694 0.195 25744 4997 1 18 . 1 1 68 68 GLN H H 68 8.914 8.914 8.191 0.723 25744 4998 1 18 . 1 1 69 69 GLY N N 69 109.577 109.577 106.926 2.651 25744 4999 1 18 . 1 1 69 69 GLY CA C 69 45.941 45.941 44.587 1.354 25744 5000 1 18 . 1 1 69 69 GLY H H 69 8.134 8.134 7.731 0.403 25744 5001 1 18 . 1 1 70 70 LEU N N 70 121.331 121.331 116.548 4.783 25744 5002 1 18 . 1 1 70 70 LEU CA C 70 54.522 54.522 55.889 -1.367 25744 5003 1 18 . 1 1 70 70 LEU CB C 70 41.954 41.954 41.986 -0.032 25744 5004 1 18 . 1 1 70 70 LEU H H 70 8.519 8.519 8.603 -0.084 25744 5005 1 18 . 1 1 71 71 ASP N N 71 120.681 120.681 119.634 1.047 25744 5006 1 18 . 1 1 71 71 ASP CA C 71 57.082 57.082 55.275 1.807 25744 5007 1 18 . 1 1 71 71 ASP CB C 71 40.844 40.844 41.447 -0.603 25744 5008 1 18 . 1 1 71 71 ASP H H 71 7.718 7.718 8.117 -0.399 25744 5009 1 18 . 1 1 72 72 ALA N N 72 119.110 119.110 123.628 -4.518 25744 5010 1 18 . 1 1 72 72 ALA CA C 72 53.289 53.289 53.345 -0.056 25744 5011 1 18 . 1 1 72 72 ALA CB C 72 15.885 15.885 18.526 -2.641 25744 5012 1 18 . 1 1 72 72 ALA H H 72 8.009 8.009 8.086 -0.077 25744 5013 1 18 . 1 1 73 73 TRP N N 73 117.503 117.503 119.583 -2.080 25744 5014 1 18 . 1 1 73 73 TRP CA C 73 56.963 56.963 55.510 1.453 25744 5015 1 18 . 1 1 73 73 TRP CB C 73 28.163 28.163 28.529 -0.366 25744 5016 1 18 . 1 1 73 73 TRP H H 73 7.791 7.791 8.391 -0.600 25744 5017 1 18 . 1 1 74 74 PRO CA C 74 65.586 65.586 63.932 1.653 25744 5018 1 18 . 1 1 74 74 PRO CB C 74 32.234 32.234 31.962 0.272 25744 5019 1 18 . 1 1 75 75 THR N N 75 111.008 111.008 108.306 2.702 25744 5020 1 18 . 1 1 75 75 THR CA C 75 63.482 63.482 63.340 0.142 25744 5021 1 18 . 1 1 75 75 THR CB C 75 68.815 68.815 68.612 0.203 25744 5022 1 18 . 1 1 75 75 THR H H 75 8.197 8.197 8.614 -0.417 25744 5023 1 18 . 1 1 76 76 CYS N N 76 119.131 119.131 120.961 -1.830 25744 5024 1 18 . 1 1 76 76 CYS CA C 76 54.853 54.853 59.098 -4.245 25744 5025 1 18 . 1 1 76 76 CYS CB C 76 39.280 39.280 27.187 12.093 25744 5026 1 18 . 1 1 76 76 CYS H H 76 8.144 8.144 7.979 0.165 25744 5027 1 18 . 1 1 77 77 GLY N N 77 110.834 110.834 107.940 2.894 25744 5028 1 18 . 1 1 77 77 GLY CA C 77 48.430 48.430 44.365 4.065 25744 5029 1 18 . 1 1 77 77 GLY H H 77 8.774 8.774 8.018 0.756 25744 5030 1 18 . 1 1 78 78 ALA N N 78 123.300 123.300 126.704 -3.404 25744 5031 1 18 . 1 1 78 78 ALA CA C 78 53.882 53.882 53.996 -0.114 25744 5032 1 18 . 1 1 78 78 ALA CB C 78 18.563 18.563 16.968 1.595 25744 5033 1 18 . 1 1 78 78 ALA H H 78 8.142 8.142 7.830 0.312 25744 5034 1 18 . 1 1 80 80 SER N N 80 111.423 111.423 110.863 0.560 25744 5035 1 18 . 1 1 80 80 SER CA C 80 59.723 59.723 58.648 1.075 25744 5036 1 18 . 1 1 80 80 SER CB C 80 63.648 63.648 64.734 -1.086 25744 5037 1 18 . 1 1 80 80 SER H H 80 7.742 7.742 7.753 -0.011 25744 5038 1 18 . 1 1 81 81 GLY N N 81 111.317 111.317 110.219 1.098 25744 5039 1 18 . 1 1 81 81 GLY CA C 81 45.430 45.430 45.764 -0.334 25744 5040 1 18 . 1 1 81 81 GLY H H 81 7.562 7.562 8.225 -0.663 25744 5041 1 19 . 1 1 4 4 GLY N N 4 110.205 110.205 115.068 -4.863 25744 5042 1 19 . 1 1 4 4 GLY CA C 4 44.519 44.519 44.544 -0.025 25744 5043 1 19 . 1 1 4 4 GLY H H 4 8.067 8.067 8.757 -0.690 25744 5044 1 19 . 1 1 5 5 PRO CA C 5 63.030 63.030 62.655 0.375 25744 5045 1 19 . 1 1 5 5 PRO CB C 5 32.458 32.458 33.936 -1.478 25744 5046 1 19 . 1 1 6 6 SER N N 6 116.630 116.630 115.910 0.720 25744 5047 1 19 . 1 1 6 6 SER CA C 6 56.015 56.015 56.141 -0.126 25744 5048 1 19 . 1 1 6 6 SER CB C 6 63.363 63.363 63.518 -0.155 25744 5049 1 19 . 1 1 6 6 SER H H 6 8.304 8.304 8.272 0.032 25744 5050 1 19 . 1 1 7 7 PRO CA C 7 62.430 62.430 62.701 -0.271 25744 5051 1 19 . 1 1 7 7 PRO CB C 7 30.960 30.960 31.947 -0.987 25744 5052 1 19 . 1 1 8 8 ASN N N 8 120.122 120.122 122.207 -2.085 25744 5053 1 19 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.655 -1.855 25744 5054 1 19 . 1 1 8 8 ASN CB C 8 36.222 36.222 40.956 -4.734 25744 5055 1 19 . 1 1 8 8 ASN H H 8 8.667 8.667 8.371 0.296 25744 5056 1 19 . 1 1 9 9 TRP N N 9 123.684 123.684 125.482 -1.798 25744 5057 1 19 . 1 1 9 9 TRP CA C 9 59.215 59.215 61.759 -2.544 25744 5058 1 19 . 1 1 9 9 TRP CB C 9 30.780 30.780 29.809 0.971 25744 5059 1 19 . 1 1 9 9 TRP H H 9 7.691 7.691 8.962 -1.271 25744 5060 1 19 . 1 1 10 10 ASP N N 10 118.132 118.132 118.961 -0.829 25744 5061 1 19 . 1 1 10 10 ASP CA C 10 58.622 58.622 57.931 0.691 25744 5062 1 19 . 1 1 10 10 ASP CB C 10 40.844 40.844 40.605 0.239 25744 5063 1 19 . 1 1 10 10 ASP H H 10 8.320 8.320 8.487 -0.167 25744 5064 1 19 . 1 1 11 11 ALA N N 11 124.299 124.299 121.521 2.778 25744 5065 1 19 . 1 1 11 11 ALA CA C 11 54.593 54.593 54.709 -0.116 25744 5066 1 19 . 1 1 11 11 ALA CB C 11 18.681 18.681 18.302 0.379 25744 5067 1 19 . 1 1 11 11 ALA H H 11 7.395 7.395 8.149 -0.754 25744 5068 1 19 . 1 1 12 12 VAL N N 12 120.997 120.997 118.233 2.764 25744 5069 1 19 . 1 1 12 12 VAL CA C 12 66.682 66.682 65.953 0.729 25744 5070 1 19 . 1 1 12 12 VAL CB C 12 31.481 31.481 30.282 1.198 25744 5071 1 19 . 1 1 12 12 VAL H H 12 7.464 7.464 7.998 -0.534 25744 5072 1 19 . 1 1 13 13 ALA N N 13 121.205 121.205 121.700 -0.495 25744 5073 1 19 . 1 1 13 13 ALA CA C 13 54.711 54.711 55.250 -0.539 25744 5074 1 19 . 1 1 13 13 ALA CB C 13 18.918 18.918 17.853 1.065 25744 5075 1 19 . 1 1 13 13 ALA H H 13 8.523 8.523 8.113 0.410 25744 5076 1 19 . 1 1 14 14 GLN N N 14 120.926 120.926 116.363 4.563 25744 5077 1 19 . 1 1 14 14 GLN CA C 14 58.978 58.978 57.265 1.713 25744 5078 1 19 . 1 1 14 14 GLN CB C 14 27.689 27.689 28.692 -1.003 25744 5079 1 19 . 1 1 14 14 GLN H H 14 8.046 8.046 7.944 0.102 25744 5080 1 19 . 1 1 15 15 CYS N N 15 118.916 118.916 118.051 0.865 25744 5081 1 19 . 1 1 15 15 CYS CA C 15 59.334 59.334 59.589 -0.255 25744 5082 1 19 . 1 1 15 15 CYS CB C 15 35.748 35.748 29.027 6.721 25744 5083 1 19 . 1 1 15 15 CYS H H 15 7.108 7.108 7.816 -0.708 25744 5084 1 19 . 1 1 16 16 GLU N N 16 120.227 120.227 121.357 -1.130 25744 5085 1 19 . 1 1 16 16 GLU CA C 16 58.978 58.978 58.522 0.456 25744 5086 1 19 . 1 1 16 16 GLU CB C 16 30.051 30.051 30.436 -0.385 25744 5087 1 19 . 1 1 16 16 GLU H H 16 8.776 8.776 8.467 0.309 25744 5088 1 19 . 1 1 17 17 SER N N 17 109.577 109.577 111.985 -2.408 25744 5089 1 19 . 1 1 17 17 SER CA C 17 57.771 57.771 58.484 -0.713 25744 5090 1 19 . 1 1 17 17 SER CB C 17 66.563 66.563 65.507 1.056 25744 5091 1 19 . 1 1 17 17 SER H H 17 8.467 8.467 8.333 0.134 25744 5092 1 19 . 1 1 18 18 GLY N N 18 113.669 113.669 110.368 3.301 25744 5093 1 19 . 1 1 18 18 GLY CA C 18 46.652 46.652 44.878 1.774 25744 5094 1 19 . 1 1 18 18 GLY H H 18 7.598 7.598 7.744 -0.146 25744 5095 1 19 . 1 1 19 19 GLY N N 19 106.884 106.884 107.046 -0.162 25744 5096 1 19 . 1 1 19 19 GLY CA C 19 45.467 45.467 44.863 0.604 25744 5097 1 19 . 1 1 19 19 GLY H H 19 7.476 7.476 7.586 -0.110 25744 5098 1 19 . 1 1 20 20 ASN N N 20 116.428 116.428 119.985 -3.557 25744 5099 1 19 . 1 1 20 20 ASN CA C 20 50.445 50.445 53.018 -2.573 25744 5100 1 19 . 1 1 20 20 ASN CB C 20 38.510 38.510 40.432 -1.922 25744 5101 1 19 . 1 1 20 20 ASN H H 20 6.580 6.580 7.884 -1.304 25744 5102 1 19 . 1 1 21 21 TRP N N 21 124.313 124.313 125.786 -1.473 25744 5103 1 19 . 1 1 21 21 TRP CA C 21 60.400 60.400 60.000 0.400 25744 5104 1 19 . 1 1 21 21 TRP CB C 21 27.689 27.689 29.802 -2.113 25744 5105 1 19 . 1 1 21 21 TRP H H 21 8.262 8.262 8.925 -0.663 25744 5106 1 19 . 1 1 22 22 ALA N N 22 120.192 120.192 119.563 0.629 25744 5107 1 19 . 1 1 22 22 ALA CA C 22 50.208 50.208 53.080 -2.872 25744 5108 1 19 . 1 1 22 22 ALA CB C 22 19.037 19.037 18.451 0.586 25744 5109 1 19 . 1 1 22 22 ALA H H 22 7.668 7.668 8.080 -0.412 25744 5110 1 19 . 1 1 23 23 ALA N N 23 121.314 121.314 121.452 -0.138 25744 5111 1 19 . 1 1 23 23 ALA CA C 23 54.711 54.711 52.302 2.409 25744 5112 1 19 . 1 1 23 23 ALA CB C 23 18.701 18.701 17.311 1.389 25744 5113 1 19 . 1 1 23 23 ALA H H 23 6.929 6.929 7.932 -1.003 25744 5114 1 19 . 1 1 24 24 ASN N N 24 119.494 119.494 122.368 -2.874 25744 5115 1 19 . 1 1 24 24 ASN CA C 24 52.459 52.459 53.145 -0.686 25744 5116 1 19 . 1 1 24 24 ASN CB C 24 37.170 37.170 37.896 -0.726 25744 5117 1 19 . 1 1 24 24 ASN H H 24 8.678 8.678 9.012 -0.334 25744 5118 1 19 . 1 1 25 25 THR N N 25 113.697 113.697 110.644 3.053 25744 5119 1 19 . 1 1 25 25 THR CA C 25 61.941 61.941 62.062 -0.121 25744 5120 1 19 . 1 1 25 25 THR CB C 25 69.171 69.171 69.547 -0.376 25744 5121 1 19 . 1 1 25 25 THR H H 25 9.174 9.174 8.444 0.730 25744 5122 1 19 . 1 1 26 26 GLY N N 26 110.554 110.554 112.783 -2.229 25744 5123 1 19 . 1 1 26 26 GLY CA C 26 45.822 45.822 45.191 0.631 25744 5124 1 19 . 1 1 26 26 GLY H H 26 8.381 8.381 8.439 -0.058 25744 5125 1 19 . 1 1 27 27 ASN N N 27 118.272 118.272 119.690 -1.418 25744 5126 1 19 . 1 1 27 27 ASN CA C 27 51.985 51.985 51.784 0.201 25744 5127 1 19 . 1 1 27 27 ASN CB C 27 37.436 37.436 37.979 -0.543 25744 5128 1 19 . 1 1 27 27 ASN H H 27 7.718 7.718 7.829 -0.111 25744 5129 1 19 . 1 1 28 28 GLY N N 28 108.669 108.669 105.973 2.696 25744 5130 1 19 . 1 1 28 28 GLY CA C 28 45.348 45.348 46.111 -0.763 25744 5131 1 19 . 1 1 28 28 GLY H H 28 8.287 8.287 7.708 0.579 25744 5132 1 19 . 1 1 29 29 LYS N N 29 116.881 116.881 119.735 -2.854 25744 5133 1 19 . 1 1 29 29 LYS CA C 29 54.119 54.119 54.677 -0.558 25744 5134 1 19 . 1 1 29 29 LYS CB C 29 35.184 35.184 35.115 0.069 25744 5135 1 19 . 1 1 29 29 LYS H H 29 7.256 7.256 7.416 -0.160 25744 5136 1 19 . 1 1 30 30 TYR N N 30 115.548 115.548 118.126 -2.578 25744 5137 1 19 . 1 1 30 30 TYR CA C 30 58.148 58.148 54.883 3.265 25744 5138 1 19 . 1 1 30 30 TYR CB C 30 44.163 44.163 38.506 5.657 25744 5139 1 19 . 1 1 30 30 TYR H H 30 8.421 8.421 7.442 0.979 25744 5140 1 19 . 1 1 31 31 GLY N N 31 110.774 110.774 110.384 0.390 25744 5141 1 19 . 1 1 31 31 GLY CA C 31 44.767 44.767 45.348 -0.581 25744 5142 1 19 . 1 1 31 31 GLY H H 31 9.969 9.969 8.271 1.698 25744 5143 1 19 . 1 1 32 32 GLY N N 32 109.262 109.262 111.692 -2.430 25744 5144 1 19 . 1 1 32 32 GLY CA C 32 46.193 46.193 45.305 0.888 25744 5145 1 19 . 1 1 32 32 GLY H H 32 9.008 9.008 7.929 1.079 25744 5146 1 19 . 1 1 33 33 LEU N N 33 115.269 115.269 121.883 -6.614 25744 5147 1 19 . 1 1 33 33 LEU CA C 33 52.815 52.815 54.622 -1.807 25744 5148 1 19 . 1 1 33 33 LEU CB C 33 41.556 41.556 43.860 -2.304 25744 5149 1 19 . 1 1 33 33 LEU H H 33 7.843 7.843 7.403 0.440 25744 5150 1 19 . 1 1 34 34 GLN N N 34 112.176 112.176 116.742 -4.566 25744 5151 1 19 . 1 1 34 34 GLN CA C 34 55.304 55.304 56.709 -1.405 25744 5152 1 19 . 1 1 34 34 GLN CB C 34 27.333 27.333 27.865 -0.532 25744 5153 1 19 . 1 1 34 34 GLN H H 34 7.321 7.321 7.918 -0.597 25744 5154 1 19 . 1 1 35 35 PHE N N 35 116.246 116.246 119.848 -3.602 25744 5155 1 19 . 1 1 35 35 PHE CA C 35 59.334 59.334 55.062 4.272 25744 5156 1 19 . 1 1 35 35 PHE CB C 35 41.793 41.793 40.161 1.631 25744 5157 1 19 . 1 1 35 35 PHE H H 35 7.708 7.708 7.263 0.445 25744 5158 1 19 . 1 1 36 36 LYS N N 36 122.039 122.039 126.999 -4.960 25744 5159 1 19 . 1 1 36 36 LYS CA C 36 54.711 54.711 56.669 -1.958 25744 5160 1 19 . 1 1 36 36 LYS CB C 36 32.193 32.193 31.874 0.319 25744 5161 1 19 . 1 1 36 36 LYS H H 36 9.110 9.110 8.910 0.200 25744 5162 1 19 . 1 1 37 37 PRO CA C 37 66.626 66.626 65.568 1.058 25744 5163 1 19 . 1 1 37 37 PRO CB C 37 32.234 32.234 31.687 0.547 25744 5164 1 19 . 1 1 39 39 THR N N 39 115.976 115.976 114.985 0.991 25744 5165 1 19 . 1 1 39 39 THR CA C 39 65.971 65.971 66.136 -0.165 25744 5166 1 19 . 1 1 39 39 THR CB C 39 69.550 69.550 68.149 1.401 25744 5167 1 19 . 1 1 39 39 THR H H 39 7.046 7.046 7.525 -0.479 25744 5168 1 19 . 1 1 40 40 TRP N N 40 120.053 120.053 123.276 -3.223 25744 5169 1 19 . 1 1 40 40 TRP CA C 40 60.163 60.163 59.581 0.582 25744 5170 1 19 . 1 1 40 40 TRP CB C 40 30.317 30.317 29.368 0.949 25744 5171 1 19 . 1 1 40 40 TRP H H 40 7.810 7.810 7.838 -0.028 25744 5172 1 19 . 1 1 41 41 ALA N N 41 117.049 117.049 122.059 -5.010 25744 5173 1 19 . 1 1 41 41 ALA CA C 41 54.119 54.119 55.096 -0.978 25744 5174 1 19 . 1 1 41 41 ALA CB C 41 18.800 18.800 17.758 1.042 25744 5175 1 19 . 1 1 41 41 ALA H H 41 8.117 8.117 8.796 -0.679 25744 5176 1 19 . 1 1 42 42 ALA N N 42 120.416 120.416 121.683 -1.267 25744 5177 1 19 . 1 1 42 42 ALA CA C 42 53.408 53.408 54.575 -1.167 25744 5178 1 19 . 1 1 42 42 ALA CB C 42 18.020 18.020 18.779 -0.759 25744 5179 1 19 . 1 1 42 42 ALA H H 42 7.678 7.678 7.967 -0.289 25744 5180 1 19 . 1 1 43 43 PHE N N 43 113.805 113.805 115.923 -2.118 25744 5181 1 19 . 1 1 43 43 PHE CA C 43 57.911 57.911 57.580 0.331 25744 5182 1 19 . 1 1 43 43 PHE CB C 43 38.711 38.711 38.452 0.259 25744 5183 1 19 . 1 1 43 43 PHE H H 43 7.044 7.044 7.602 -0.558 25744 5184 1 19 . 1 1 44 44 GLY N N 44 104.034 104.034 106.777 -2.743 25744 5185 1 19 . 1 1 44 44 GLY CA C 44 45.963 45.963 44.950 1.013 25744 5186 1 19 . 1 1 44 44 GLY H H 44 7.099 7.099 8.070 -0.971 25744 5187 1 19 . 1 1 45 45 GLY N N 45 110.240 110.240 107.942 2.298 25744 5188 1 19 . 1 1 45 45 GLY CA C 45 44.622 44.622 45.690 -1.067 25744 5189 1 19 . 1 1 45 45 GLY H H 45 8.015 8.015 8.269 -0.254 25744 5190 1 19 . 1 1 46 46 VAL N N 46 122.532 122.532 120.363 2.169 25744 5191 1 19 . 1 1 46 46 VAL CA C 46 60.910 60.910 62.095 -1.185 25744 5192 1 19 . 1 1 46 46 VAL CB C 46 34.444 34.444 32.740 1.704 25744 5193 1 19 . 1 1 46 46 VAL H H 46 7.854 7.854 7.874 -0.020 25744 5194 1 19 . 1 1 47 47 GLY N N 47 114.605 114.605 114.819 -0.214 25744 5195 1 19 . 1 1 47 47 GLY CA C 47 45.230 45.230 45.850 -0.620 25744 5196 1 19 . 1 1 48 48 ASN N N 48 121.458 121.458 120.901 0.557 25744 5197 1 19 . 1 1 48 48 ASN CA C 48 57.494 57.494 58.333 -0.839 25744 5198 1 19 . 1 1 48 48 ASN CB C 48 31.011 31.011 37.559 -6.548 25744 5199 1 19 . 1 1 48 48 ASN H H 48 8.500 8.500 8.626 -0.126 25744 5200 1 19 . 1 1 49 49 PRO CA C 49 64.978 64.978 64.695 0.283 25744 5201 1 19 . 1 1 49 49 PRO CB C 49 30.885 30.885 30.387 0.498 25744 5202 1 19 . 1 1 50 50 ALA N N 50 110.593 110.593 119.980 -9.387 25744 5203 1 19 . 1 1 50 50 ALA CA C 50 53.171 53.171 53.668 -0.497 25744 5204 1 19 . 1 1 50 50 ALA CB C 50 18.404 18.404 18.680 -0.277 25744 5205 1 19 . 1 1 50 50 ALA H H 50 7.787 7.787 7.739 0.048 25744 5206 1 19 . 1 1 51 51 ALA N N 51 118.962 118.962 120.623 -1.661 25744 5207 1 19 . 1 1 51 51 ALA CA C 51 51.037 51.037 52.195 -1.158 25744 5208 1 19 . 1 1 51 51 ALA CB C 51 19.507 19.507 19.623 -0.116 25744 5209 1 19 . 1 1 51 51 ALA H H 51 7.436 7.436 8.059 -0.623 25744 5210 1 19 . 1 1 52 52 ALA N N 52 122.852 122.852 123.210 -0.358 25744 5211 1 19 . 1 1 52 52 ALA CA C 52 50.682 50.682 52.372 -1.690 25744 5212 1 19 . 1 1 52 52 ALA CB C 52 20.654 20.654 18.859 1.795 25744 5213 1 19 . 1 1 52 52 ALA H H 52 7.080 7.080 7.861 -0.781 25744 5214 1 19 . 1 1 53 53 SER N N 53 119.459 119.459 119.278 0.181 25744 5215 1 19 . 1 1 53 53 SER CA C 53 57.437 57.437 57.378 0.059 25744 5216 1 19 . 1 1 53 53 SER CB C 53 64.914 64.914 64.120 0.794 25744 5217 1 19 . 1 1 53 53 SER H H 53 8.916 8.916 8.520 0.396 25744 5218 1 19 . 1 1 54 54 ARG N N 54 122.357 122.357 124.573 -2.216 25744 5219 1 19 . 1 1 54 54 ARG CA C 54 59.334 59.334 59.898 -0.564 25744 5220 1 19 . 1 1 54 54 ARG CB C 54 29.111 29.111 29.499 -0.388 25744 5221 1 19 . 1 1 54 54 ARG H H 54 8.791 8.791 8.744 0.047 25744 5222 1 19 . 1 1 55 55 GLU N N 55 114.989 114.989 118.423 -3.434 25744 5223 1 19 . 1 1 55 55 GLU CA C 55 61.348 61.348 59.160 2.188 25744 5224 1 19 . 1 1 55 55 GLU CB C 55 28.756 28.756 29.187 -0.431 25744 5225 1 19 . 1 1 55 55 GLU H H 55 8.214 8.214 8.310 -0.096 25744 5226 1 19 . 1 1 56 56 GLN N N 56 121.065 121.065 119.436 1.629 25744 5227 1 19 . 1 1 56 56 GLN CA C 56 58.504 58.504 58.744 -0.240 25744 5228 1 19 . 1 1 56 56 GLN CB C 56 29.704 29.704 28.382 1.322 25744 5229 1 19 . 1 1 56 56 GLN H H 56 7.975 7.975 7.407 0.568 25744 5230 1 19 . 1 1 57 57 GLN N N 57 120.192 120.192 119.571 0.621 25744 5231 1 19 . 1 1 57 57 GLN CA C 57 60.400 60.400 58.321 2.079 25744 5232 1 19 . 1 1 57 57 GLN CB C 57 30.178 30.178 28.549 1.629 25744 5233 1 19 . 1 1 57 57 GLN H H 57 8.492 8.492 8.336 0.156 25744 5234 1 19 . 1 1 58 58 ILE N N 58 120.157 120.157 117.120 3.037 25744 5235 1 19 . 1 1 58 58 ILE CA C 58 65.952 65.952 64.177 1.775 25744 5236 1 19 . 1 1 58 58 ILE CB C 58 37.747 37.747 36.428 1.319 25744 5237 1 19 . 1 1 58 58 ILE H H 58 8.347 8.347 7.799 0.548 25744 5238 1 19 . 1 1 59 59 ALA N N 59 121.345 121.345 122.656 -1.311 25744 5239 1 19 . 1 1 59 59 ALA CA C 59 55.304 55.304 55.417 -0.113 25744 5240 1 19 . 1 1 59 59 ALA CB C 59 17.970 17.970 17.745 0.225 25744 5241 1 19 . 1 1 59 59 ALA H H 59 7.657 7.657 7.811 -0.154 25744 5242 1 19 . 1 1 60 60 VAL N N 60 117.152 117.152 119.138 -1.986 25744 5243 1 19 . 1 1 60 60 VAL CA C 60 66.208 66.208 65.202 1.006 25744 5244 1 19 . 1 1 60 60 VAL CB C 60 31.481 31.481 30.404 1.077 25744 5245 1 19 . 1 1 60 60 VAL H H 60 7.144 7.144 7.563 -0.419 25744 5246 1 19 . 1 1 61 61 ALA N N 61 123.936 123.936 122.272 1.664 25744 5247 1 19 . 1 1 61 61 ALA CA C 61 56.371 56.371 55.589 0.782 25744 5248 1 19 . 1 1 61 61 ALA CB C 61 16.482 16.482 18.301 -1.819 25744 5249 1 19 . 1 1 61 61 ALA H H 61 8.225 8.225 8.684 -0.459 25744 5250 1 19 . 1 1 62 62 ASN N N 62 114.116 114.116 116.113 -1.997 25744 5251 1 19 . 1 1 62 62 ASN CA C 62 56.845 56.845 56.288 0.557 25744 5252 1 19 . 1 1 62 62 ASN CB C 62 38.356 38.356 38.809 -0.453 25744 5253 1 19 . 1 1 62 62 ASN H H 62 8.500 8.500 8.460 0.040 25744 5254 1 19 . 1 1 63 63 ARG N N 63 122.173 122.173 119.614 2.559 25744 5255 1 19 . 1 1 63 63 ARG CA C 63 59.926 59.926 58.687 1.239 25744 5256 1 19 . 1 1 63 63 ARG CB C 63 30.889 30.889 30.776 0.112 25744 5257 1 19 . 1 1 63 63 ARG H H 63 7.474 7.474 7.576 -0.102 25744 5258 1 19 . 1 1 64 64 VAL N N 64 121.659 121.659 121.694 -0.035 25744 5259 1 19 . 1 1 64 64 VAL CA C 64 65.852 65.852 65.789 0.063 25744 5260 1 19 . 1 1 64 64 VAL CB C 64 31.718 31.718 31.291 0.427 25744 5261 1 19 . 1 1 64 64 VAL H H 64 8.107 8.107 8.361 -0.254 25744 5262 1 19 . 1 1 65 65 LEU N N 65 120.681 120.681 119.829 0.852 25744 5263 1 19 . 1 1 65 65 LEU CA C 65 57.556 57.556 59.124 -1.568 25744 5264 1 19 . 1 1 65 65 LEU CB C 65 43.333 43.333 40.811 2.522 25744 5265 1 19 . 1 1 65 65 LEU H H 65 8.948 8.948 8.345 0.603 25744 5266 1 19 . 1 1 66 66 ALA N N 66 118.509 118.509 121.448 -2.939 25744 5267 1 19 . 1 1 66 66 ALA CA C 66 54.830 54.830 54.727 0.103 25744 5268 1 19 . 1 1 66 66 ALA CB C 66 19.155 19.155 18.271 0.884 25744 5269 1 19 . 1 1 66 66 ALA H H 66 7.390 7.390 7.759 -0.369 25744 5270 1 19 . 1 1 67 67 GLU N N 67 114.309 114.309 119.614 -5.305 25744 5271 1 19 . 1 1 67 67 GLU CA C 67 57.700 57.700 58.703 -1.003 25744 5272 1 19 . 1 1 67 67 GLU CB C 67 32.531 32.531 30.113 2.418 25744 5273 1 19 . 1 1 67 67 GLU H H 67 7.369 7.369 7.852 -0.483 25744 5274 1 19 . 1 1 68 68 GLN N N 68 116.281 116.281 117.109 -0.828 25744 5275 1 19 . 1 1 68 68 GLN CA C 68 55.778 55.778 56.063 -0.285 25744 5276 1 19 . 1 1 68 68 GLN CB C 68 30.889 30.889 31.828 -0.939 25744 5277 1 19 . 1 1 68 68 GLN H H 68 8.914 8.914 8.056 0.858 25744 5278 1 19 . 1 1 69 69 GLY N N 69 109.577 109.577 107.031 2.546 25744 5279 1 19 . 1 1 69 69 GLY CA C 69 45.941 45.941 44.606 1.335 25744 5280 1 19 . 1 1 69 69 GLY H H 69 8.134 8.134 7.849 0.285 25744 5281 1 19 . 1 1 70 70 LEU N N 70 121.331 121.331 121.041 0.290 25744 5282 1 19 . 1 1 70 70 LEU CA C 70 54.522 54.522 57.672 -3.151 25744 5283 1 19 . 1 1 70 70 LEU CB C 70 41.954 41.954 42.081 -0.127 25744 5284 1 19 . 1 1 70 70 LEU H H 70 8.519 8.519 8.808 -0.289 25744 5285 1 19 . 1 1 71 71 ASP N N 71 120.681 120.681 118.467 2.214 25744 5286 1 19 . 1 1 71 71 ASP CA C 71 57.082 57.082 56.377 0.705 25744 5287 1 19 . 1 1 71 71 ASP CB C 71 40.844 40.844 39.987 0.857 25744 5288 1 19 . 1 1 71 71 ASP H H 71 7.718 7.718 8.365 -0.647 25744 5289 1 19 . 1 1 72 72 ALA N N 72 119.110 119.110 122.473 -3.363 25744 5290 1 19 . 1 1 72 72 ALA CA C 72 53.289 53.289 53.442 -0.153 25744 5291 1 19 . 1 1 72 72 ALA CB C 72 15.885 15.885 18.523 -2.638 25744 5292 1 19 . 1 1 72 72 ALA H H 72 8.009 8.009 7.369 0.640 25744 5293 1 19 . 1 1 73 73 TRP N N 73 117.503 117.503 117.959 -0.456 25744 5294 1 19 . 1 1 73 73 TRP CA C 73 56.963 56.963 54.336 2.627 25744 5295 1 19 . 1 1 73 73 TRP CB C 73 28.163 28.163 29.344 -1.181 25744 5296 1 19 . 1 1 73 73 TRP H H 73 7.791 7.791 7.422 0.369 25744 5297 1 19 . 1 1 74 74 PRO CA C 74 65.586 65.586 64.354 1.232 25744 5298 1 19 . 1 1 74 74 PRO CB C 74 32.234 32.234 32.133 0.102 25744 5299 1 19 . 1 1 75 75 THR N N 75 111.008 111.008 112.821 -1.813 25744 5300 1 19 . 1 1 75 75 THR CA C 75 63.482 63.482 63.945 -0.463 25744 5301 1 19 . 1 1 75 75 THR CB C 75 68.815 68.815 68.972 -0.157 25744 5302 1 19 . 1 1 75 75 THR H H 75 8.197 8.197 8.734 -0.537 25744 5303 1 19 . 1 1 76 76 CYS N N 76 119.131 119.131 116.699 2.432 25744 5304 1 19 . 1 1 76 76 CYS CA C 76 54.853 54.853 57.855 -3.002 25744 5305 1 19 . 1 1 76 76 CYS CB C 76 39.280 39.280 31.032 8.248 25744 5306 1 19 . 1 1 76 76 CYS H H 76 8.144 8.144 7.831 0.313 25744 5307 1 19 . 1 1 77 77 GLY N N 77 110.834 110.834 108.095 2.739 25744 5308 1 19 . 1 1 77 77 GLY CA C 77 48.430 48.430 45.130 3.300 25744 5309 1 19 . 1 1 77 77 GLY H H 77 8.774 8.774 8.028 0.746 25744 5310 1 19 . 1 1 78 78 ALA N N 78 123.300 123.300 126.916 -3.616 25744 5311 1 19 . 1 1 78 78 ALA CA C 78 53.882 53.882 53.688 0.194 25744 5312 1 19 . 1 1 78 78 ALA CB C 78 18.563 18.563 17.027 1.536 25744 5313 1 19 . 1 1 78 78 ALA H H 78 8.142 8.142 7.899 0.243 25744 5314 1 19 . 1 1 80 80 SER N N 80 111.423 111.423 110.583 0.840 25744 5315 1 19 . 1 1 80 80 SER CA C 80 59.723 59.723 58.580 1.143 25744 5316 1 19 . 1 1 80 80 SER CB C 80 63.648 63.648 64.654 -1.006 25744 5317 1 19 . 1 1 80 80 SER H H 80 7.742 7.742 7.811 -0.069 25744 5318 1 19 . 1 1 81 81 GLY N N 81 111.317 111.317 110.400 0.917 25744 5319 1 19 . 1 1 81 81 GLY CA C 81 45.430 45.430 45.599 -0.169 25744 5320 1 19 . 1 1 81 81 GLY H H 81 7.562 7.562 7.978 -0.416 25744 5321 1 20 . 1 1 4 4 GLY N N 4 110.205 110.205 109.192 1.013 25744 5322 1 20 . 1 1 4 4 GLY CA C 4 44.519 44.519 44.659 -0.140 25744 5323 1 20 . 1 1 4 4 GLY H H 4 8.067 8.067 8.603 -0.536 25744 5324 1 20 . 1 1 5 5 PRO CA C 5 63.030 63.030 62.696 0.334 25744 5325 1 20 . 1 1 5 5 PRO CB C 5 32.458 32.458 31.967 0.491 25744 5326 1 20 . 1 1 6 6 SER N N 6 116.630 116.630 118.441 -1.811 25744 5327 1 20 . 1 1 6 6 SER CA C 6 56.015 56.015 57.495 -1.480 25744 5328 1 20 . 1 1 6 6 SER CB C 6 63.363 63.363 63.574 -0.211 25744 5329 1 20 . 1 1 6 6 SER H H 6 8.304 8.304 8.422 -0.118 25744 5330 1 20 . 1 1 7 7 PRO CA C 7 62.430 62.430 63.067 -0.637 25744 5331 1 20 . 1 1 7 7 PRO CB C 7 30.960 30.960 32.028 -1.068 25744 5332 1 20 . 1 1 8 8 ASN N N 8 120.122 120.122 120.631 -0.509 25744 5333 1 20 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.493 -1.693 25744 5334 1 20 . 1 1 8 8 ASN CB C 8 36.222 36.222 40.903 -4.681 25744 5335 1 20 . 1 1 8 8 ASN H H 8 8.667 8.667 8.336 0.331 25744 5336 1 20 . 1 1 9 9 TRP N N 9 123.684 123.684 125.353 -1.669 25744 5337 1 20 . 1 1 9 9 TRP CA C 9 59.215 59.215 61.425 -2.210 25744 5338 1 20 . 1 1 9 9 TRP CB C 9 30.780 30.780 29.595 1.185 25744 5339 1 20 . 1 1 9 9 TRP H H 9 7.691 7.691 9.203 -1.512 25744 5340 1 20 . 1 1 10 10 ASP N N 10 118.132 118.132 119.627 -1.495 25744 5341 1 20 . 1 1 10 10 ASP CA C 10 58.622 58.622 58.823 -0.201 25744 5342 1 20 . 1 1 10 10 ASP CB C 10 40.844 40.844 40.088 0.756 25744 5343 1 20 . 1 1 10 10 ASP H H 10 8.320 8.320 8.729 -0.409 25744 5344 1 20 . 1 1 11 11 ALA N N 11 124.299 124.299 121.715 2.584 25744 5345 1 20 . 1 1 11 11 ALA CA C 11 54.593 54.593 54.648 -0.055 25744 5346 1 20 . 1 1 11 11 ALA CB C 11 18.681 18.681 18.410 0.271 25744 5347 1 20 . 1 1 11 11 ALA H H 11 7.395 7.395 7.753 -0.358 25744 5348 1 20 . 1 1 12 12 VAL N N 12 120.997 120.997 118.742 2.255 25744 5349 1 20 . 1 1 12 12 VAL CA C 12 66.682 66.682 66.159 0.523 25744 5350 1 20 . 1 1 12 12 VAL CB C 12 31.481 31.481 30.241 1.240 25744 5351 1 20 . 1 1 12 12 VAL H H 12 7.464 7.464 8.120 -0.656 25744 5352 1 20 . 1 1 13 13 ALA N N 13 121.205 121.205 121.162 0.043 25744 5353 1 20 . 1 1 13 13 ALA CA C 13 54.711 54.711 55.316 -0.605 25744 5354 1 20 . 1 1 13 13 ALA CB C 13 18.918 18.918 17.747 1.171 25744 5355 1 20 . 1 1 13 13 ALA H H 13 8.523 8.523 8.457 0.066 25744 5356 1 20 . 1 1 14 14 GLN N N 14 120.926 120.926 115.923 5.003 25744 5357 1 20 . 1 1 14 14 GLN CA C 14 58.978 58.978 57.961 1.017 25744 5358 1 20 . 1 1 14 14 GLN CB C 14 27.689 27.689 28.754 -1.065 25744 5359 1 20 . 1 1 14 14 GLN H H 14 8.046 8.046 8.007 0.039 25744 5360 1 20 . 1 1 15 15 CYS N N 15 118.916 118.916 117.233 1.683 25744 5361 1 20 . 1 1 15 15 CYS CA C 15 59.334 59.334 59.468 -0.134 25744 5362 1 20 . 1 1 15 15 CYS CB C 15 35.748 35.748 28.150 7.598 25744 5363 1 20 . 1 1 15 15 CYS H H 15 7.108 7.108 7.785 -0.677 25744 5364 1 20 . 1 1 16 16 GLU N N 16 120.227 120.227 120.097 0.130 25744 5365 1 20 . 1 1 16 16 GLU CA C 16 58.978 58.978 58.385 0.593 25744 5366 1 20 . 1 1 16 16 GLU CB C 16 30.051 30.051 30.554 -0.503 25744 5367 1 20 . 1 1 16 16 GLU H H 16 8.776 8.776 8.170 0.606 25744 5368 1 20 . 1 1 17 17 SER N N 17 109.577 109.577 112.045 -2.468 25744 5369 1 20 . 1 1 17 17 SER CA C 17 57.771 57.771 58.420 -0.649 25744 5370 1 20 . 1 1 17 17 SER CB C 17 66.563 66.563 65.265 1.298 25744 5371 1 20 . 1 1 17 17 SER H H 17 8.467 8.467 8.449 0.018 25744 5372 1 20 . 1 1 18 18 GLY N N 18 113.669 113.669 110.108 3.561 25744 5373 1 20 . 1 1 18 18 GLY CA C 18 46.652 46.652 45.481 1.171 25744 5374 1 20 . 1 1 18 18 GLY H H 18 7.598 7.598 7.892 -0.294 25744 5375 1 20 . 1 1 19 19 GLY N N 19 106.884 106.884 107.582 -0.698 25744 5376 1 20 . 1 1 19 19 GLY CA C 19 45.467 45.467 45.595 -0.128 25744 5377 1 20 . 1 1 19 19 GLY H H 19 7.476 7.476 7.834 -0.358 25744 5378 1 20 . 1 1 20 20 ASN N N 20 116.428 116.428 122.742 -6.314 25744 5379 1 20 . 1 1 20 20 ASN CA C 20 50.445 50.445 54.005 -3.561 25744 5380 1 20 . 1 1 20 20 ASN CB C 20 38.510 38.510 37.659 0.851 25744 5381 1 20 . 1 1 20 20 ASN H H 20 6.580 6.580 8.096 -1.516 25744 5382 1 20 . 1 1 21 21 TRP N N 21 124.313 124.313 126.691 -2.378 25744 5383 1 20 . 1 1 21 21 TRP CA C 21 60.400 60.400 60.263 0.137 25744 5384 1 20 . 1 1 21 21 TRP CB C 21 27.689 27.689 29.446 -1.757 25744 5385 1 20 . 1 1 21 21 TRP H H 21 8.262 8.262 8.252 0.010 25744 5386 1 20 . 1 1 22 22 ALA N N 22 120.192 120.192 118.403 1.789 25744 5387 1 20 . 1 1 22 22 ALA CA C 22 50.208 50.208 51.907 -1.699 25744 5388 1 20 . 1 1 22 22 ALA CB C 22 19.037 19.037 18.863 0.174 25744 5389 1 20 . 1 1 22 22 ALA H H 22 7.668 7.668 8.044 -0.376 25744 5390 1 20 . 1 1 23 23 ALA N N 23 121.314 121.314 122.642 -1.328 25744 5391 1 20 . 1 1 23 23 ALA CA C 23 54.711 54.711 52.345 2.366 25744 5392 1 20 . 1 1 23 23 ALA CB C 23 18.701 18.701 16.834 1.867 25744 5393 1 20 . 1 1 23 23 ALA H H 23 6.929 6.929 8.054 -1.125 25744 5394 1 20 . 1 1 24 24 ASN N N 24 119.494 119.494 119.993 -0.499 25744 5395 1 20 . 1 1 24 24 ASN CA C 24 52.459 52.459 53.640 -1.181 25744 5396 1 20 . 1 1 24 24 ASN CB C 24 37.170 37.170 38.839 -1.669 25744 5397 1 20 . 1 1 24 24 ASN H H 24 8.678 8.678 8.713 -0.035 25744 5398 1 20 . 1 1 25 25 THR N N 25 113.697 113.697 114.809 -1.112 25744 5399 1 20 . 1 1 25 25 THR CA C 25 61.941 61.941 64.055 -2.114 25744 5400 1 20 . 1 1 25 25 THR CB C 25 69.171 69.171 68.854 0.317 25744 5401 1 20 . 1 1 25 25 THR H H 25 9.174 9.174 8.543 0.631 25744 5402 1 20 . 1 1 26 26 GLY N N 26 110.554 110.554 108.761 1.793 25744 5403 1 20 . 1 1 26 26 GLY CA C 26 45.822 45.822 45.369 0.453 25744 5404 1 20 . 1 1 26 26 GLY H H 26 8.381 8.381 8.533 -0.152 25744 5405 1 20 . 1 1 27 27 ASN N N 27 118.272 118.272 119.000 -0.728 25744 5406 1 20 . 1 1 27 27 ASN CA C 27 51.985 51.985 52.762 -0.777 25744 5407 1 20 . 1 1 27 27 ASN CB C 27 37.436 37.436 39.042 -1.606 25744 5408 1 20 . 1 1 27 27 ASN H H 27 7.718 7.718 8.026 -0.308 25744 5409 1 20 . 1 1 28 28 GLY N N 28 108.669 108.669 107.114 1.555 25744 5410 1 20 . 1 1 28 28 GLY CA C 28 45.348 45.348 46.155 -0.807 25744 5411 1 20 . 1 1 28 28 GLY H H 28 8.287 8.287 7.907 0.380 25744 5412 1 20 . 1 1 29 29 LYS N N 29 116.881 116.881 118.973 -2.092 25744 5413 1 20 . 1 1 29 29 LYS CA C 29 54.119 54.119 54.612 -0.493 25744 5414 1 20 . 1 1 29 29 LYS CB C 29 35.184 35.184 35.234 -0.050 25744 5415 1 20 . 1 1 29 29 LYS H H 29 7.256 7.256 7.472 -0.216 25744 5416 1 20 . 1 1 30 30 TYR N N 30 115.548 115.548 117.625 -2.077 25744 5417 1 20 . 1 1 30 30 TYR CA C 30 58.148 58.148 54.751 3.397 25744 5418 1 20 . 1 1 30 30 TYR CB C 30 44.163 44.163 38.980 5.183 25744 5419 1 20 . 1 1 30 30 TYR H H 30 8.421 8.421 7.533 0.888 25744 5420 1 20 . 1 1 31 31 GLY N N 31 110.774 110.774 110.176 0.598 25744 5421 1 20 . 1 1 31 31 GLY CA C 31 44.767 44.767 45.104 -0.337 25744 5422 1 20 . 1 1 31 31 GLY H H 31 9.969 9.969 8.073 1.896 25744 5423 1 20 . 1 1 32 32 GLY N N 32 109.262 109.262 111.585 -2.323 25744 5424 1 20 . 1 1 32 32 GLY CA C 32 46.193 46.193 45.736 0.457 25744 5425 1 20 . 1 1 32 32 GLY H H 32 9.008 9.008 8.131 0.877 25744 5426 1 20 . 1 1 33 33 LEU N N 33 115.269 115.269 122.055 -6.786 25744 5427 1 20 . 1 1 33 33 LEU CA C 33 52.815 52.815 54.948 -2.133 25744 5428 1 20 . 1 1 33 33 LEU CB C 33 41.556 41.556 43.873 -2.317 25744 5429 1 20 . 1 1 33 33 LEU H H 33 7.843 7.843 7.591 0.252 25744 5430 1 20 . 1 1 34 34 GLN N N 34 112.176 112.176 116.731 -4.555 25744 5431 1 20 . 1 1 34 34 GLN CA C 34 55.304 55.304 56.720 -1.416 25744 5432 1 20 . 1 1 34 34 GLN CB C 34 27.333 27.333 27.759 -0.426 25744 5433 1 20 . 1 1 34 34 GLN H H 34 7.321 7.321 8.069 -0.748 25744 5434 1 20 . 1 1 35 35 PHE N N 35 116.246 116.246 119.962 -3.716 25744 5435 1 20 . 1 1 35 35 PHE CA C 35 59.334 59.334 55.314 4.020 25744 5436 1 20 . 1 1 35 35 PHE CB C 35 41.793 41.793 40.301 1.492 25744 5437 1 20 . 1 1 35 35 PHE H H 35 7.708 7.708 7.156 0.552 25744 5438 1 20 . 1 1 36 36 LYS N N 36 122.039 122.039 126.746 -4.707 25744 5439 1 20 . 1 1 36 36 LYS CA C 36 54.711 54.711 56.667 -1.956 25744 5440 1 20 . 1 1 36 36 LYS CB C 36 32.193 32.193 32.019 0.174 25744 5441 1 20 . 1 1 36 36 LYS H H 36 9.110 9.110 8.905 0.205 25744 5442 1 20 . 1 1 37 37 PRO CA C 37 66.626 66.626 65.729 0.897 25744 5443 1 20 . 1 1 37 37 PRO CB C 37 32.234 32.234 31.926 0.308 25744 5444 1 20 . 1 1 39 39 THR N N 39 115.976 115.976 115.132 0.844 25744 5445 1 20 . 1 1 39 39 THR CA C 39 65.971 65.971 66.183 -0.212 25744 5446 1 20 . 1 1 39 39 THR CB C 39 69.550 69.550 68.314 1.236 25744 5447 1 20 . 1 1 39 39 THR H H 39 7.046 7.046 7.714 -0.668 25744 5448 1 20 . 1 1 40 40 TRP N N 40 120.053 120.053 123.415 -3.362 25744 5449 1 20 . 1 1 40 40 TRP CA C 40 60.163 60.163 59.485 0.678 25744 5450 1 20 . 1 1 40 40 TRP CB C 40 30.317 30.317 29.456 0.861 25744 5451 1 20 . 1 1 40 40 TRP H H 40 7.810 7.810 7.910 -0.100 25744 5452 1 20 . 1 1 41 41 ALA N N 41 117.049 117.049 122.057 -5.008 25744 5453 1 20 . 1 1 41 41 ALA CA C 41 54.119 54.119 55.097 -0.978 25744 5454 1 20 . 1 1 41 41 ALA CB C 41 18.800 18.800 17.760 1.040 25744 5455 1 20 . 1 1 41 41 ALA H H 41 8.117 8.117 8.859 -0.742 25744 5456 1 20 . 1 1 42 42 ALA N N 42 120.416 120.416 121.825 -1.409 25744 5457 1 20 . 1 1 42 42 ALA CA C 42 53.408 53.408 54.519 -1.111 25744 5458 1 20 . 1 1 42 42 ALA CB C 42 18.020 18.020 18.620 -0.600 25744 5459 1 20 . 1 1 42 42 ALA H H 42 7.678 7.678 7.852 -0.174 25744 5460 1 20 . 1 1 43 43 PHE N N 43 113.805 113.805 116.728 -2.923 25744 5461 1 20 . 1 1 43 43 PHE CA C 43 57.911 57.911 57.459 0.452 25744 5462 1 20 . 1 1 43 43 PHE CB C 43 38.711 38.711 38.599 0.112 25744 5463 1 20 . 1 1 43 43 PHE H H 43 7.044 7.044 7.405 -0.361 25744 5464 1 20 . 1 1 44 44 GLY N N 44 104.034 104.034 106.838 -2.804 25744 5465 1 20 . 1 1 44 44 GLY CA C 44 45.963 45.963 44.988 0.975 25744 5466 1 20 . 1 1 44 44 GLY H H 44 7.099 7.099 8.053 -0.954 25744 5467 1 20 . 1 1 45 45 GLY N N 45 110.240 110.240 108.945 1.295 25744 5468 1 20 . 1 1 45 45 GLY CA C 45 44.622 44.622 45.775 -1.153 25744 5469 1 20 . 1 1 45 45 GLY H H 45 8.015 8.015 8.329 -0.314 25744 5470 1 20 . 1 1 46 46 VAL N N 46 122.532 122.532 120.164 2.368 25744 5471 1 20 . 1 1 46 46 VAL CA C 46 60.910 60.910 62.540 -1.630 25744 5472 1 20 . 1 1 46 46 VAL CB C 46 34.444 34.444 32.144 2.300 25744 5473 1 20 . 1 1 46 46 VAL H H 46 7.854 7.854 7.731 0.123 25744 5474 1 20 . 1 1 47 47 GLY N N 47 114.605 114.605 113.655 0.950 25744 5475 1 20 . 1 1 47 47 GLY CA C 47 45.230 45.230 45.721 -0.491 25744 5476 1 20 . 1 1 48 48 ASN N N 48 121.458 121.458 120.793 0.665 25744 5477 1 20 . 1 1 48 48 ASN CA C 48 57.494 57.494 58.182 -0.688 25744 5478 1 20 . 1 1 48 48 ASN CB C 48 31.011 31.011 37.508 -6.497 25744 5479 1 20 . 1 1 48 48 ASN H H 48 8.500 8.500 8.576 -0.076 25744 5480 1 20 . 1 1 49 49 PRO CA C 49 64.978 64.978 64.407 0.571 25744 5481 1 20 . 1 1 49 49 PRO CB C 49 30.885 30.885 30.324 0.561 25744 5482 1 20 . 1 1 50 50 ALA N N 50 110.593 110.593 120.565 -9.972 25744 5483 1 20 . 1 1 50 50 ALA CA C 50 53.171 53.171 53.744 -0.573 25744 5484 1 20 . 1 1 50 50 ALA CB C 50 18.404 18.404 18.601 -0.197 25744 5485 1 20 . 1 1 50 50 ALA H H 50 7.787 7.787 7.730 0.057 25744 5486 1 20 . 1 1 51 51 ALA N N 51 118.962 118.962 120.185 -1.223 25744 5487 1 20 . 1 1 51 51 ALA CA C 51 51.037 51.037 51.786 -0.749 25744 5488 1 20 . 1 1 51 51 ALA CB C 51 19.507 19.507 20.540 -1.032 25744 5489 1 20 . 1 1 51 51 ALA H H 51 7.436 7.436 7.539 -0.103 25744 5490 1 20 . 1 1 52 52 ALA N N 52 122.852 122.852 123.248 -0.396 25744 5491 1 20 . 1 1 52 52 ALA CA C 52 50.682 50.682 52.179 -1.497 25744 5492 1 20 . 1 1 52 52 ALA CB C 52 20.654 20.654 18.979 1.675 25744 5493 1 20 . 1 1 52 52 ALA H H 52 7.080 7.080 7.980 -0.900 25744 5494 1 20 . 1 1 53 53 SER N N 53 119.459 119.459 120.201 -0.742 25744 5495 1 20 . 1 1 53 53 SER CA C 53 57.437 57.437 57.265 0.172 25744 5496 1 20 . 1 1 53 53 SER CB C 53 64.914 64.914 64.123 0.791 25744 5497 1 20 . 1 1 53 53 SER H H 53 8.916 8.916 8.509 0.407 25744 5498 1 20 . 1 1 54 54 ARG N N 54 122.357 122.357 125.186 -2.829 25744 5499 1 20 . 1 1 54 54 ARG CA C 54 59.334 59.334 59.928 -0.594 25744 5500 1 20 . 1 1 54 54 ARG CB C 54 29.111 29.111 29.371 -0.260 25744 5501 1 20 . 1 1 54 54 ARG H H 54 8.791 8.791 8.732 0.059 25744 5502 1 20 . 1 1 55 55 GLU N N 55 114.989 114.989 118.254 -3.265 25744 5503 1 20 . 1 1 55 55 GLU CA C 55 61.348 61.348 58.729 2.619 25744 5504 1 20 . 1 1 55 55 GLU CB C 55 28.756 28.756 29.263 -0.507 25744 5505 1 20 . 1 1 55 55 GLU H H 55 8.214 8.214 8.487 -0.273 25744 5506 1 20 . 1 1 56 56 GLN N N 56 121.065 121.065 119.462 1.603 25744 5507 1 20 . 1 1 56 56 GLN CA C 56 58.504 58.504 58.554 -0.050 25744 5508 1 20 . 1 1 56 56 GLN CB C 56 29.704 29.704 28.612 1.092 25744 5509 1 20 . 1 1 56 56 GLN H H 56 7.975 7.975 7.607 0.368 25744 5510 1 20 . 1 1 57 57 GLN N N 57 120.192 120.192 119.849 0.343 25744 5511 1 20 . 1 1 57 57 GLN CA C 57 60.400 60.400 58.545 1.855 25744 5512 1 20 . 1 1 57 57 GLN CB C 57 30.178 30.178 28.615 1.563 25744 5513 1 20 . 1 1 57 57 GLN H H 57 8.492 8.492 8.399 0.093 25744 5514 1 20 . 1 1 58 58 ILE N N 58 120.157 120.157 116.185 3.972 25744 5515 1 20 . 1 1 58 58 ILE CA C 58 65.952 65.952 64.100 1.852 25744 5516 1 20 . 1 1 58 58 ILE CB C 58 37.747 37.747 36.539 1.208 25744 5517 1 20 . 1 1 58 58 ILE H H 58 8.347 8.347 7.752 0.595 25744 5518 1 20 . 1 1 59 59 ALA N N 59 121.345 121.345 122.510 -1.165 25744 5519 1 20 . 1 1 59 59 ALA CA C 59 55.304 55.304 55.337 -0.033 25744 5520 1 20 . 1 1 59 59 ALA CB C 59 17.970 17.970 17.918 0.052 25744 5521 1 20 . 1 1 59 59 ALA H H 59 7.657 7.657 7.615 0.042 25744 5522 1 20 . 1 1 60 60 VAL N N 60 117.152 117.152 118.794 -1.642 25744 5523 1 20 . 1 1 60 60 VAL CA C 60 66.208 66.208 65.258 0.950 25744 5524 1 20 . 1 1 60 60 VAL CB C 60 31.481 31.481 30.261 1.220 25744 5525 1 20 . 1 1 60 60 VAL H H 60 7.144 7.144 7.644 -0.500 25744 5526 1 20 . 1 1 61 61 ALA N N 61 123.936 123.936 122.090 1.846 25744 5527 1 20 . 1 1 61 61 ALA CA C 61 56.371 56.371 55.446 0.925 25744 5528 1 20 . 1 1 61 61 ALA CB C 61 16.482 16.482 18.095 -1.613 25744 5529 1 20 . 1 1 61 61 ALA H H 61 8.225 8.225 8.544 -0.319 25744 5530 1 20 . 1 1 62 62 ASN N N 62 114.116 114.116 117.015 -2.899 25744 5531 1 20 . 1 1 62 62 ASN CA C 62 56.845 56.845 56.277 0.568 25744 5532 1 20 . 1 1 62 62 ASN CB C 62 38.356 38.356 38.408 -0.052 25744 5533 1 20 . 1 1 62 62 ASN H H 62 8.500 8.500 8.242 0.258 25744 5534 1 20 . 1 1 63 63 ARG N N 63 122.173 122.173 119.945 2.228 25744 5535 1 20 . 1 1 63 63 ARG CA C 63 59.926 59.926 59.022 0.904 25744 5536 1 20 . 1 1 63 63 ARG CB C 63 30.889 30.889 30.536 0.353 25744 5537 1 20 . 1 1 63 63 ARG H H 63 7.474 7.474 7.711 -0.237 25744 5538 1 20 . 1 1 64 64 VAL N N 64 121.659 121.659 121.117 0.542 25744 5539 1 20 . 1 1 64 64 VAL CA C 64 65.852 65.852 65.654 0.198 25744 5540 1 20 . 1 1 64 64 VAL CB C 64 31.718 31.718 31.328 0.390 25744 5541 1 20 . 1 1 64 64 VAL H H 64 8.107 8.107 8.471 -0.364 25744 5542 1 20 . 1 1 65 65 LEU N N 65 120.681 120.681 120.383 0.298 25744 5543 1 20 . 1 1 65 65 LEU CA C 65 57.556 57.556 58.967 -1.411 25744 5544 1 20 . 1 1 65 65 LEU CB C 65 43.333 43.333 40.899 2.434 25744 5545 1 20 . 1 1 65 65 LEU H H 65 8.948 8.948 8.133 0.815 25744 5546 1 20 . 1 1 66 66 ALA N N 66 118.509 118.509 121.423 -2.914 25744 5547 1 20 . 1 1 66 66 ALA CA C 66 54.830 54.830 54.466 0.364 25744 5548 1 20 . 1 1 66 66 ALA CB C 66 19.155 19.155 18.216 0.939 25744 5549 1 20 . 1 1 66 66 ALA H H 66 7.390 7.390 7.872 -0.482 25744 5550 1 20 . 1 1 67 67 GLU N N 67 114.309 114.309 117.934 -3.625 25744 5551 1 20 . 1 1 67 67 GLU CA C 67 57.700 57.700 58.669 -0.969 25744 5552 1 20 . 1 1 67 67 GLU CB C 67 32.531 32.531 29.930 2.601 25744 5553 1 20 . 1 1 67 67 GLU H H 67 7.369 7.369 7.908 -0.539 25744 5554 1 20 . 1 1 68 68 GLN N N 68 116.281 116.281 116.866 -0.585 25744 5555 1 20 . 1 1 68 68 GLN CA C 68 55.778 55.778 55.092 0.686 25744 5556 1 20 . 1 1 68 68 GLN CB C 68 30.889 30.889 31.043 -0.154 25744 5557 1 20 . 1 1 68 68 GLN H H 68 8.914 8.914 7.738 1.176 25744 5558 1 20 . 1 1 69 69 GLY N N 69 109.577 109.577 107.507 2.070 25744 5559 1 20 . 1 1 69 69 GLY CA C 69 45.941 45.941 44.467 1.474 25744 5560 1 20 . 1 1 69 69 GLY H H 69 8.134 8.134 8.204 -0.070 25744 5561 1 20 . 1 1 70 70 LEU N N 70 121.331 121.331 119.296 2.035 25744 5562 1 20 . 1 1 70 70 LEU CA C 70 54.522 54.522 57.534 -3.012 25744 5563 1 20 . 1 1 70 70 LEU CB C 70 41.954 41.954 41.735 0.219 25744 5564 1 20 . 1 1 70 70 LEU H H 70 8.519 8.519 8.517 0.002 25744 5565 1 20 . 1 1 71 71 ASP N N 71 120.681 120.681 118.863 1.818 25744 5566 1 20 . 1 1 71 71 ASP CA C 71 57.082 57.082 54.843 2.239 25744 5567 1 20 . 1 1 71 71 ASP CB C 71 40.844 40.844 39.483 1.361 25744 5568 1 20 . 1 1 71 71 ASP H H 71 7.718 7.718 8.008 -0.290 25744 5569 1 20 . 1 1 72 72 ALA N N 72 119.110 119.110 122.784 -3.674 25744 5570 1 20 . 1 1 72 72 ALA CA C 72 53.289 53.289 53.572 -0.283 25744 5571 1 20 . 1 1 72 72 ALA CB C 72 15.885 15.885 18.752 -2.867 25744 5572 1 20 . 1 1 72 72 ALA H H 72 8.009 8.009 7.911 0.098 25744 5573 1 20 . 1 1 73 73 TRP N N 73 117.503 117.503 118.451 -0.948 25744 5574 1 20 . 1 1 73 73 TRP CA C 73 56.963 56.963 54.453 2.510 25744 5575 1 20 . 1 1 73 73 TRP CB C 73 28.163 28.163 29.159 -0.996 25744 5576 1 20 . 1 1 73 73 TRP H H 73 7.791 7.791 7.471 0.320 25744 5577 1 20 . 1 1 74 74 PRO CA C 74 65.586 65.586 64.998 0.588 25744 5578 1 20 . 1 1 74 74 PRO CB C 74 32.234 32.234 31.409 0.825 25744 5579 1 20 . 1 1 75 75 THR N N 75 111.008 111.008 108.822 2.186 25744 5580 1 20 . 1 1 75 75 THR CA C 75 63.482 63.482 63.443 0.039 25744 5581 1 20 . 1 1 75 75 THR CB C 75 68.815 68.815 68.691 0.124 25744 5582 1 20 . 1 1 75 75 THR H H 75 8.197 8.197 8.269 -0.072 25744 5583 1 20 . 1 1 76 76 CYS N N 76 119.131 119.131 120.158 -1.027 25744 5584 1 20 . 1 1 76 76 CYS CA C 76 54.853 54.853 59.596 -4.744 25744 5585 1 20 . 1 1 76 76 CYS CB C 76 39.280 39.280 30.013 9.267 25744 5586 1 20 . 1 1 76 76 CYS H H 76 8.144 8.144 7.760 0.384 25744 5587 1 20 . 1 1 77 77 GLY N N 77 110.834 110.834 109.521 1.313 25744 5588 1 20 . 1 1 77 77 GLY CA C 77 48.430 48.430 44.772 3.658 25744 5589 1 20 . 1 1 77 77 GLY H H 77 8.774 8.774 8.020 0.754 25744 5590 1 20 . 1 1 78 78 ALA N N 78 123.300 123.300 126.371 -3.071 25744 5591 1 20 . 1 1 78 78 ALA CA C 78 53.882 53.882 54.547 -0.665 25744 5592 1 20 . 1 1 78 78 ALA CB C 78 18.563 18.563 17.990 0.573 25744 5593 1 20 . 1 1 78 78 ALA H H 78 8.142 8.142 8.123 0.019 25744 5594 1 20 . 1 1 80 80 SER N N 80 111.423 111.423 113.462 -2.039 25744 5595 1 20 . 1 1 80 80 SER CA C 80 59.723 59.723 58.557 1.166 25744 5596 1 20 . 1 1 80 80 SER CB C 80 63.648 63.648 63.938 -0.290 25744 5597 1 20 . 1 1 80 80 SER H H 80 7.742 7.742 7.884 -0.142 25744 5598 1 20 . 1 1 81 81 GLY N N 81 111.317 111.317 110.156 1.161 25744 5599 1 20 . 1 1 81 81 GLY CA C 81 45.430 45.430 46.019 -0.589 25744 5600 1 20 . 1 1 81 81 GLY H H 81 7.562 7.562 7.942 -0.380 25744 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 71 2.829 0.704 2.760 25744 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 25744 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25744 4 1 1 "Average Difference" CA 76 1.299 0.017 1.307 25744 5 1 1 "Average Difference" CB 63 2.259 -0.444 2.233 25744 6 1 1 "Average Difference" HN 70 0.568 0.067 0.569 25744 7 1 2 "Average Difference" N 71 2.771 0.673 2.707 25744 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 25744 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25744 10 1 2 "Average Difference" CA 76 1.402 -0.019 1.412 25744 11 1 2 "Average Difference" CB 63 1.979 -0.424 1.948 25744 12 1 2 "Average Difference" HN 70 0.541 0.068 0.541 25744 13 1 3 "Average Difference" N 71 2.836 0.711 2.765 25744 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 25744 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25744 16 1 3 "Average Difference" CA 76 1.250 0.050 1.257 25744 17 1 3 "Average Difference" CB 63 2.404 -0.409 2.388 25744 18 1 3 "Average Difference" HN 70 0.553 0.117 0.545 25744 19 1 4 "Average Difference" N 71 2.855 0.439 2.841 25744 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 25744 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25744 22 1 4 "Average Difference" CA 76 1.364 -0.044 1.372 25744 23 1 4 "Average Difference" CB 63 2.057 -0.303 2.050 25744 24 1 4 "Average Difference" HN 70 0.533 0.078 0.531 25744 25 1 5 "Average Difference" N 71 2.887 0.613 2.841 25744 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 25744 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25744 28 1 5 "Average Difference" CA 76 1.298 0.017 1.307 25744 29 1 5 "Average Difference" CB 63 2.280 -0.457 2.252 25744 30 1 5 "Average Difference" HN 70 0.592 0.061 0.593 25744 31 1 6 "Average Difference" N 71 2.872 0.685 2.809 25744 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 25744 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25744 34 1 6 "Average Difference" CA 76 1.360 -0.011 1.369 25744 35 1 6 "Average Difference" CB 63 2.539 -0.456 2.518 25744 36 1 6 "Average Difference" HN 70 0.573 0.066 0.573 25744 37 1 7 "Average Difference" N 71 2.961 0.663 2.906 25744 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 25744 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25744 40 1 7 "Average Difference" CA 76 1.328 0.060 1.335 25744 41 1 7 "Average Difference" CB 63 2.168 -0.414 2.145 25744 42 1 7 "Average Difference" HN 70 0.533 0.100 0.528 25744 43 1 8 "Average Difference" N 71 2.613 0.603 2.561 25744 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 25744 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25744 46 1 8 "Average Difference" CA 76 1.308 -0.042 1.316 25744 47 1 8 "Average Difference" CB 63 2.523 -0.442 2.504 25744 48 1 8 "Average Difference" HN 70 0.561 0.065 0.561 25744 49 1 9 "Average Difference" N 71 2.775 0.582 2.732 25744 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 25744 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25744 52 1 9 "Average Difference" CA 76 1.257 -0.052 1.264 25744 53 1 9 "Average Difference" CB 63 2.132 -0.458 2.099 25744 54 1 9 "Average Difference" HN 70 0.564 0.089 0.561 25744 55 1 10 "Average Difference" N 71 2.848 0.613 2.801 25744 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 25744 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25744 58 1 10 "Average Difference" CA 76 1.322 0.021 1.331 25744 59 1 10 "Average Difference" CB 63 2.053 -0.366 2.037 25744 60 1 10 "Average Difference" HN 70 0.542 0.108 0.535 25744 61 1 11 "Average Difference" N 71 2.781 0.528 2.750 25744 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 25744 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25744 64 1 11 "Average Difference" CA 76 1.310 -0.044 1.318 25744 65 1 11 "Average Difference" CB 63 2.100 -0.349 2.087 25744 66 1 11 "Average Difference" HN 70 0.553 0.046 0.555 25744 67 1 12 "Average Difference" N 71 2.849 0.689 2.784 25744 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 25744 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25744 70 1 12 "Average Difference" CA 76 1.214 -0.037 1.221 25744 71 1 12 "Average Difference" CB 63 2.006 -0.527 1.951 25744 72 1 12 "Average Difference" HN 70 0.589 0.029 0.592 25744 73 1 13 "Average Difference" N 71 2.901 0.577 2.864 25744 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 25744 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25744 76 1 13 "Average Difference" CA 76 1.452 0.001 1.462 25744 77 1 13 "Average Difference" CB 63 2.261 -0.482 2.227 25744 78 1 13 "Average Difference" HN 70 0.540 0.081 0.538 25744 79 1 14 "Average Difference" N 71 2.722 0.573 2.680 25744 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 25744 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25744 82 1 14 "Average Difference" CA 76 1.360 0.045 1.368 25744 83 1 14 "Average Difference" CB 63 2.111 -0.440 2.081 25744 84 1 14 "Average Difference" HN 70 0.589 0.089 0.587 25744 85 1 15 "Average Difference" N 71 2.697 0.383 2.689 25744 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 25744 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25744 88 1 15 "Average Difference" CA 76 1.488 -0.016 1.498 25744 89 1 15 "Average Difference" CB 63 2.426 -0.460 2.401 25744 90 1 15 "Average Difference" HN 70 0.541 0.083 0.538 25744 91 1 16 "Average Difference" N 71 2.848 0.684 2.784 25744 92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 25744 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25744 94 1 16 "Average Difference" CA 76 1.302 0.002 1.311 25744 95 1 16 "Average Difference" CB 63 2.216 -0.452 2.186 25744 96 1 16 "Average Difference" HN 70 0.526 0.093 0.521 25744 97 1 17 "Average Difference" N 71 2.713 0.561 2.673 25744 98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 25744 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25744 100 1 17 "Average Difference" CA 76 1.371 0.006 1.380 25744 101 1 17 "Average Difference" CB 63 2.094 -0.454 2.060 25744 102 1 17 "Average Difference" HN 70 0.552 0.093 0.547 25744 103 1 18 "Average Difference" N 71 2.773 0.477 2.751 25744 104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 25744 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25744 106 1 18 "Average Difference" CA 76 1.394 -0.016 1.404 25744 107 1 18 "Average Difference" CB 63 2.344 -0.409 2.327 25744 108 1 18 "Average Difference" HN 70 0.546 0.123 0.536 25744 109 1 19 "Average Difference" N 71 2.782 0.818 2.678 25744 110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 25744 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25744 112 1 19 "Average Difference" CA 76 1.430 -0.029 1.439 25744 113 1 19 "Average Difference" CB 63 2.142 -0.299 2.138 25744 114 1 19 "Average Difference" HN 70 0.563 0.069 0.563 25744 115 1 20 "Average Difference" N 71 2.754 0.778 2.661 25744 116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 25744 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25744 118 1 20 "Average Difference" CA 76 1.522 0.066 1.530 25744 119 1 20 "Average Difference" CB 63 2.233 -0.425 2.210 25744 120 1 20 "Average Difference" HN 70 0.574 0.073 0.573 25744 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 25744 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 4 4 GLY N N 4 110.205 110.205 110.473 -0.268 25744 2 1 . 1 1 4 4 GLY CA C 4 44.519 44.519 44.663 -0.145 25744 3 1 . 1 1 4 4 GLY H H 4 8.067 8.067 8.440 -0.373 25744 4 1 . 1 1 5 5 PRO CA C 5 63.030 63.030 62.636 0.394 25744 5 1 . 1 1 5 5 PRO CB C 5 32.458 32.458 32.617 -0.159 25744 6 1 . 1 1 6 6 SER N N 6 116.630 116.630 117.914 -1.284 25744 7 1 . 1 1 6 6 SER CA C 6 56.015 56.015 57.244 -1.229 25744 8 1 . 1 1 6 6 SER CB C 6 63.363 63.363 63.541 -0.178 25744 9 1 . 1 1 6 6 SER H H 6 8.304 8.304 8.372 -0.068 25744 10 1 . 1 1 7 7 PRO CA C 7 62.430 62.430 62.902 -0.472 25744 11 1 . 1 1 7 7 PRO CB C 7 30.960 30.960 32.137 -1.177 25744 12 1 . 1 1 8 8 ASN N N 8 120.122 120.122 120.964 -0.842 25744 13 1 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.091 -1.291 25744 14 1 . 1 1 8 8 ASN CB C 8 36.222 36.222 39.974 -3.752 25744 15 1 . 1 1 8 8 ASN H H 8 8.667 8.667 8.447 0.220 25744 16 1 . 1 1 9 9 TRP N N 9 123.684 123.684 124.270 -0.586 25744 17 1 . 1 1 9 9 TRP CA C 9 59.215 59.215 61.251 -2.036 25744 18 1 . 1 1 9 9 TRP CB C 9 30.780 30.780 29.732 1.048 25744 19 1 . 1 1 9 9 TRP H H 9 7.691 7.691 8.789 -1.098 25744 20 1 . 1 1 10 10 ASP N N 10 118.132 118.132 118.621 -0.489 25744 21 1 . 1 1 10 10 ASP CA C 10 58.622 58.622 57.609 1.013 25744 22 1 . 1 1 10 10 ASP CB C 10 40.844 40.844 40.307 0.537 25744 23 1 . 1 1 10 10 ASP H H 10 8.320 8.320 8.596 -0.276 25744 24 1 . 1 1 11 11 ALA N N 11 124.299 124.299 121.710 2.589 25744 25 1 . 1 1 11 11 ALA CA C 11 54.593 54.593 54.778 -0.185 25744 26 1 . 1 1 11 11 ALA CB C 11 18.681 18.681 18.547 0.134 25744 27 1 . 1 1 11 11 ALA H H 11 7.395 7.395 7.993 -0.598 25744 28 1 . 1 1 12 12 VAL N N 12 120.997 120.997 118.583 2.414 25744 29 1 . 1 1 12 12 VAL CA C 12 66.682 66.682 65.962 0.720 25744 30 1 . 1 1 12 12 VAL CB C 12 31.481 31.481 30.280 1.201 25744 31 1 . 1 1 12 12 VAL H H 12 7.464 7.464 7.936 -0.472 25744 32 1 . 1 1 13 13 ALA N N 13 121.205 121.205 121.386 -0.181 25744 33 1 . 1 1 13 13 ALA CA C 13 54.711 54.711 55.213 -0.502 25744 34 1 . 1 1 13 13 ALA CB C 13 18.918 18.918 17.767 1.151 25744 35 1 . 1 1 13 13 ALA H H 13 8.523 8.523 7.944 0.579 25744 36 1 . 1 1 14 14 GLN N N 14 120.926 120.926 116.163 4.763 25744 37 1 . 1 1 14 14 GLN CA C 14 58.978 58.978 57.549 1.429 25744 38 1 . 1 1 14 14 GLN CB C 14 27.689 27.689 28.748 -1.059 25744 39 1 . 1 1 14 14 GLN H H 14 8.046 8.046 8.111 -0.065 25744 40 1 . 1 1 15 15 CYS N N 15 118.916 118.916 117.438 1.478 25744 41 1 . 1 1 15 15 CYS CA C 15 59.334 59.334 59.464 -0.130 25744 42 1 . 1 1 15 15 CYS CB C 15 35.748 35.748 28.700 7.048 25744 43 1 . 1 1 15 15 CYS H H 15 7.108 7.108 7.749 -0.641 25744 44 1 . 1 1 16 16 GLU N N 16 120.227 120.227 119.767 0.460 25744 45 1 . 1 1 16 16 GLU CA C 16 58.978 58.978 58.228 0.750 25744 46 1 . 1 1 16 16 GLU CB C 16 30.051 30.051 30.633 -0.582 25744 47 1 . 1 1 16 16 GLU H H 16 8.776 8.776 8.395 0.381 25744 48 1 . 1 1 17 17 SER N N 17 109.577 109.577 112.537 -2.960 25744 49 1 . 1 1 17 17 SER CA C 17 57.771 57.771 58.415 -0.644 25744 50 1 . 1 1 17 17 SER CB C 17 66.563 66.563 64.957 1.606 25744 51 1 . 1 1 17 17 SER H H 17 8.467 8.467 8.249 0.218 25744 52 1 . 1 1 18 18 GLY N N 18 113.669 113.669 109.951 3.718 25744 53 1 . 1 1 18 18 GLY CA C 18 46.652 46.652 45.529 1.123 25744 54 1 . 1 1 18 18 GLY H H 18 7.598 7.598 7.909 -0.311 25744 55 1 . 1 1 19 19 GLY N N 19 106.884 106.884 107.676 -0.792 25744 56 1 . 1 1 19 19 GLY CA C 19 45.467 45.467 45.295 0.172 25744 57 1 . 1 1 19 19 GLY H H 19 7.476 7.476 7.785 -0.309 25744 58 1 . 1 1 20 20 ASN N N 20 116.428 116.428 120.697 -4.269 25744 59 1 . 1 1 20 20 ASN CA C 20 50.445 50.445 52.757 -2.312 25744 60 1 . 1 1 20 20 ASN CB C 20 38.510 38.510 39.785 -1.275 25744 61 1 . 1 1 20 20 ASN H H 20 6.580 6.580 8.043 -1.463 25744 62 1 . 1 1 21 21 TRP N N 21 124.313 124.313 124.871 -0.558 25744 63 1 . 1 1 21 21 TRP CA C 21 60.400 60.400 60.750 -0.350 25744 64 1 . 1 1 21 21 TRP CB C 21 27.689 27.689 29.478 -1.789 25744 65 1 . 1 1 21 21 TRP H H 21 8.262 8.262 8.745 -0.483 25744 66 1 . 1 1 22 22 ALA N N 22 120.192 120.192 119.222 0.970 25744 67 1 . 1 1 22 22 ALA CA C 22 50.208 50.208 52.409 -2.200 25744 68 1 . 1 1 22 22 ALA CB C 22 19.037 19.037 17.917 1.120 25744 69 1 . 1 1 22 22 ALA H H 22 7.668 7.668 8.046 -0.378 25744 70 1 . 1 1 23 23 ALA N N 23 121.314 121.314 121.466 -0.152 25744 71 1 . 1 1 23 23 ALA CA C 23 54.711 54.711 52.238 2.473 25744 72 1 . 1 1 23 23 ALA CB C 23 18.701 18.701 17.377 1.324 25744 73 1 . 1 1 23 23 ALA H H 23 6.929 6.929 7.814 -0.885 25744 74 1 . 1 1 24 24 ASN N N 24 119.494 119.494 119.535 -0.041 25744 75 1 . 1 1 24 24 ASN CA C 24 52.459 52.459 53.375 -0.917 25744 76 1 . 1 1 24 24 ASN CB C 24 37.170 37.170 37.707 -0.537 25744 77 1 . 1 1 24 24 ASN H H 24 8.678 8.678 8.697 -0.019 25744 78 1 . 1 1 25 25 THR N N 25 113.697 113.697 111.374 2.323 25744 79 1 . 1 1 25 25 THR CA C 25 61.941 61.941 61.969 -0.028 25744 80 1 . 1 1 25 25 THR CB C 25 69.171 69.171 69.098 0.073 25744 81 1 . 1 1 25 25 THR H H 25 9.174 9.174 8.067 1.107 25744 82 1 . 1 1 26 26 GLY N N 26 110.554 110.554 111.881 -1.327 25744 83 1 . 1 1 26 26 GLY CA C 26 45.822 45.822 45.330 0.492 25744 84 1 . 1 1 26 26 GLY H H 26 8.381 8.381 8.148 0.233 25744 85 1 . 1 1 27 27 ASN N N 27 118.272 118.272 119.340 -1.068 25744 86 1 . 1 1 27 27 ASN CA C 27 51.985 51.985 52.057 -0.072 25744 87 1 . 1 1 27 27 ASN CB C 27 37.436 37.436 38.243 -0.806 25744 88 1 . 1 1 27 27 ASN H H 27 7.718 7.718 8.266 -0.548 25744 89 1 . 1 1 28 28 GLY N N 28 108.669 108.669 107.162 1.507 25744 90 1 . 1 1 28 28 GLY CA C 28 45.348 45.348 45.897 -0.549 25744 91 1 . 1 1 28 28 GLY H H 28 8.287 8.287 7.822 0.465 25744 92 1 . 1 1 29 29 LYS N N 29 116.881 116.881 118.703 -1.822 25744 93 1 . 1 1 29 29 LYS CA C 29 54.119 54.119 55.117 -0.998 25744 94 1 . 1 1 29 29 LYS CB C 29 35.184 35.184 35.343 -0.159 25744 95 1 . 1 1 29 29 LYS H H 29 7.256 7.256 7.439 -0.183 25744 96 1 . 1 1 30 30 TYR N N 30 115.548 115.548 118.207 -2.659 25744 97 1 . 1 1 30 30 TYR CA C 30 58.148 58.148 57.116 1.032 25744 98 1 . 1 1 30 30 TYR CB C 30 44.163 44.163 41.402 2.761 25744 99 1 . 1 1 30 30 TYR H H 30 8.421 8.421 8.187 0.234 25744 100 1 . 1 1 31 31 GLY N N 31 110.774 110.774 110.587 0.187 25744 101 1 . 1 1 31 31 GLY CA C 31 44.767 44.767 45.789 -1.022 25744 102 1 . 1 1 31 31 GLY H H 31 9.969 9.969 8.799 1.170 25744 103 1 . 1 1 32 32 GLY N N 32 109.262 109.262 107.201 2.061 25744 104 1 . 1 1 32 32 GLY CA C 32 46.193 46.193 45.315 0.878 25744 105 1 . 1 1 32 32 GLY H H 32 9.008 9.008 8.064 0.944 25744 106 1 . 1 1 33 33 LEU N N 33 115.269 115.269 120.158 -4.889 25744 107 1 . 1 1 33 33 LEU CA C 33 52.815 52.815 53.505 -0.690 25744 108 1 . 1 1 33 33 LEU CB C 33 41.556 41.556 42.310 -0.754 25744 109 1 . 1 1 33 33 LEU H H 33 7.843 7.843 7.558 0.285 25744 110 1 . 1 1 34 34 GLN N N 34 112.176 112.176 116.574 -4.398 25744 111 1 . 1 1 34 34 GLN CA C 34 55.304 55.304 56.879 -1.575 25744 112 1 . 1 1 34 34 GLN CB C 34 27.333 27.333 27.237 0.096 25744 113 1 . 1 1 34 34 GLN H H 34 7.321 7.321 8.098 -0.776 25744 114 1 . 1 1 35 35 PHE N N 35 116.246 116.246 120.519 -4.273 25744 115 1 . 1 1 35 35 PHE CA C 35 59.334 59.334 56.808 2.526 25744 116 1 . 1 1 35 35 PHE CB C 35 41.793 41.793 39.897 1.896 25744 117 1 . 1 1 35 35 PHE H H 35 7.708 7.708 7.917 -0.209 25744 118 1 . 1 1 36 36 LYS N N 36 122.039 122.039 128.027 -5.988 25744 119 1 . 1 1 36 36 LYS CA C 36 54.711 54.711 56.435 -1.724 25744 120 1 . 1 1 36 36 LYS CB C 36 32.193 32.193 31.977 0.216 25744 121 1 . 1 1 36 36 LYS H H 36 9.110 9.110 8.443 0.667 25744 122 1 . 1 1 37 37 PRO CA C 37 66.626 66.626 65.660 0.966 25744 123 1 . 1 1 37 37 PRO CB C 37 32.234 32.234 31.924 0.310 25744 124 1 . 1 1 39 39 THR N N 39 115.976 115.976 114.403 1.573 25744 125 1 . 1 1 39 39 THR CA C 39 65.971 65.971 65.654 0.317 25744 126 1 . 1 1 39 39 THR CB C 39 69.550 69.550 68.472 1.078 25744 127 1 . 1 1 39 39 THR H H 39 7.046 7.046 7.525 -0.479 25744 128 1 . 1 1 40 40 TRP N N 40 120.053 120.053 123.713 -3.660 25744 129 1 . 1 1 40 40 TRP CA C 40 60.163 60.163 59.742 0.421 25744 130 1 . 1 1 40 40 TRP CB C 40 30.317 30.317 29.540 0.777 25744 131 1 . 1 1 40 40 TRP H H 40 7.810 7.810 8.284 -0.474 25744 132 1 . 1 1 41 41 ALA N N 41 117.049 117.049 121.953 -4.904 25744 133 1 . 1 1 41 41 ALA CA C 41 54.119 54.119 55.024 -0.905 25744 134 1 . 1 1 41 41 ALA CB C 41 18.800 18.800 17.761 1.039 25744 135 1 . 1 1 41 41 ALA H H 41 8.117 8.117 8.525 -0.408 25744 136 1 . 1 1 42 42 ALA N N 42 120.416 120.416 121.893 -1.477 25744 137 1 . 1 1 42 42 ALA CA C 42 53.408 53.408 54.593 -1.184 25744 138 1 . 1 1 42 42 ALA CB C 42 18.020 18.020 18.764 -0.744 25744 139 1 . 1 1 42 42 ALA H H 42 7.678 7.678 7.934 -0.256 25744 140 1 . 1 1 43 43 PHE N N 43 113.805 113.805 116.432 -2.627 25744 141 1 . 1 1 43 43 PHE CA C 43 57.911 57.911 57.045 0.866 25744 142 1 . 1 1 43 43 PHE CB C 43 38.711 38.711 38.650 0.061 25744 143 1 . 1 1 43 43 PHE H H 43 7.044 7.044 7.564 -0.520 25744 144 1 . 1 1 44 44 GLY N N 44 104.034 104.034 107.303 -3.269 25744 145 1 . 1 1 44 44 GLY CA C 44 45.963 45.963 44.850 1.113 25744 146 1 . 1 1 44 44 GLY H H 44 7.099 7.099 8.125 -1.026 25744 147 1 . 1 1 45 45 GLY N N 45 110.240 110.240 108.223 2.017 25744 148 1 . 1 1 45 45 GLY CA C 45 44.622 44.622 45.712 -1.090 25744 149 1 . 1 1 45 45 GLY H H 45 8.015 8.015 8.159 -0.144 25744 150 1 . 1 1 46 46 VAL N N 46 122.532 122.532 120.433 2.099 25744 151 1 . 1 1 46 46 VAL CA C 46 60.910 60.910 62.509 -1.599 25744 152 1 . 1 1 46 46 VAL CB C 46 34.444 34.444 32.402 2.042 25744 153 1 . 1 1 46 46 VAL H H 46 7.854 7.854 7.761 0.093 25744 154 1 . 1 1 47 47 GLY N N 47 114.605 114.605 113.975 0.630 25744 155 1 . 1 1 47 47 GLY CA C 47 45.230 45.230 45.646 -0.416 25744 156 1 . 1 1 48 48 ASN N N 48 121.458 121.458 120.949 0.509 25744 157 1 . 1 1 48 48 ASN CA C 48 57.494 57.494 57.726 -0.232 25744 158 1 . 1 1 48 48 ASN CB C 48 31.011 31.011 37.176 -6.165 25744 159 1 . 1 1 48 48 ASN H H 48 8.500 8.500 8.529 -0.029 25744 160 1 . 1 1 49 49 PRO CA C 49 64.978 64.978 64.749 0.229 25744 161 1 . 1 1 49 49 PRO CB C 49 30.885 30.885 30.566 0.319 25744 162 1 . 1 1 50 50 ALA N N 50 110.593 110.593 121.010 -10.417 25744 163 1 . 1 1 50 50 ALA CA C 50 53.171 53.171 53.981 -0.810 25744 164 1 . 1 1 50 50 ALA CB C 50 18.404 18.404 18.456 -0.053 25744 165 1 . 1 1 50 50 ALA H H 50 7.787 7.787 7.372 0.415 25744 166 1 . 1 1 51 51 ALA N N 51 118.962 118.962 120.554 -1.592 25744 167 1 . 1 1 51 51 ALA CA C 51 51.037 51.037 52.067 -1.030 25744 168 1 . 1 1 51 51 ALA CB C 51 19.507 19.507 19.935 -0.428 25744 169 1 . 1 1 51 51 ALA H H 51 7.436 7.436 7.846 -0.410 25744 170 1 . 1 1 52 52 ALA N N 52 122.852 122.852 122.770 0.082 25744 171 1 . 1 1 52 52 ALA CA C 52 50.682 50.682 52.093 -1.411 25744 172 1 . 1 1 52 52 ALA CB C 52 20.654 20.654 19.026 1.628 25744 173 1 . 1 1 52 52 ALA H H 52 7.080 7.080 7.950 -0.870 25744 174 1 . 1 1 53 53 SER N N 53 119.459 119.459 119.671 -0.212 25744 175 1 . 1 1 53 53 SER CA C 53 57.437 57.437 57.687 -0.250 25744 176 1 . 1 1 53 53 SER CB C 53 64.914 64.914 63.916 0.998 25744 177 1 . 1 1 53 53 SER H H 53 8.916 8.916 8.440 0.476 25744 178 1 . 1 1 54 54 ARG N N 54 122.357 122.357 124.029 -1.672 25744 179 1 . 1 1 54 54 ARG CA C 54 59.334 59.334 59.608 -0.274 25744 180 1 . 1 1 54 54 ARG CB C 54 29.111 29.111 29.194 -0.083 25744 181 1 . 1 1 54 54 ARG H H 54 8.791 8.791 8.631 0.160 25744 182 1 . 1 1 55 55 GLU N N 55 114.989 114.989 117.671 -2.682 25744 183 1 . 1 1 55 55 GLU CA C 55 61.348 61.348 58.949 2.399 25744 184 1 . 1 1 55 55 GLU CB C 55 28.756 28.756 29.134 -0.378 25744 185 1 . 1 1 55 55 GLU H H 55 8.214 8.214 8.381 -0.167 25744 186 1 . 1 1 56 56 GLN N N 56 121.065 121.065 119.273 1.792 25744 187 1 . 1 1 56 56 GLN CA C 56 58.504 58.504 58.555 -0.052 25744 188 1 . 1 1 56 56 GLN CB C 56 29.704 29.704 28.488 1.216 25744 189 1 . 1 1 56 56 GLN H H 56 7.975 7.975 7.502 0.473 25744 190 1 . 1 1 57 57 GLN N N 57 120.192 120.192 119.754 0.438 25744 191 1 . 1 1 57 57 GLN CA C 57 60.400 60.400 58.291 2.109 25744 192 1 . 1 1 57 57 GLN CB C 57 30.178 30.178 28.563 1.615 25744 193 1 . 1 1 57 57 GLN H H 57 8.492 8.492 8.366 0.126 25744 194 1 . 1 1 58 58 ILE N N 58 120.157 120.157 116.575 3.582 25744 195 1 . 1 1 58 58 ILE CA C 58 65.952 65.952 64.189 1.763 25744 196 1 . 1 1 58 58 ILE CB C 58 37.747 37.747 36.390 1.357 25744 197 1 . 1 1 58 58 ILE H H 58 8.347 8.347 7.906 0.441 25744 198 1 . 1 1 59 59 ALA N N 59 121.345 121.345 122.266 -0.921 25744 199 1 . 1 1 59 59 ALA CA C 59 55.304 55.304 55.316 -0.012 25744 200 1 . 1 1 59 59 ALA CB C 59 17.970 17.970 17.866 0.104 25744 201 1 . 1 1 59 59 ALA H H 59 7.657 7.657 7.668 -0.010 25744 202 1 . 1 1 60 60 VAL N N 60 117.152 117.152 118.985 -1.833 25744 203 1 . 1 1 60 60 VAL CA C 60 66.208 66.208 65.292 0.916 25744 204 1 . 1 1 60 60 VAL CB C 60 31.481 31.481 30.445 1.036 25744 205 1 . 1 1 60 60 VAL H H 60 7.144 7.144 7.540 -0.396 25744 206 1 . 1 1 61 61 ALA N N 61 123.936 123.936 122.002 1.934 25744 207 1 . 1 1 61 61 ALA CA C 61 56.371 56.371 55.394 0.977 25744 208 1 . 1 1 61 61 ALA CB C 61 16.482 16.482 18.227 -1.746 25744 209 1 . 1 1 61 61 ALA H H 61 8.225 8.225 8.640 -0.415 25744 210 1 . 1 1 62 62 ASN N N 62 114.116 114.116 116.839 -2.723 25744 211 1 . 1 1 62 62 ASN CA C 62 56.845 56.845 56.340 0.505 25744 212 1 . 1 1 62 62 ASN CB C 62 38.356 38.356 38.595 -0.240 25744 213 1 . 1 1 62 62 ASN H H 62 8.500 8.500 8.419 0.081 25744 214 1 . 1 1 63 63 ARG N N 63 122.173 122.173 119.804 2.369 25744 215 1 . 1 1 63 63 ARG CA C 63 59.926 59.926 58.672 1.254 25744 216 1 . 1 1 63 63 ARG CB C 63 30.889 30.889 30.538 0.351 25744 217 1 . 1 1 63 63 ARG H H 63 7.474 7.474 7.663 -0.189 25744 218 1 . 1 1 64 64 VAL N N 64 121.659 121.659 121.234 0.425 25744 219 1 . 1 1 64 64 VAL CA C 64 65.852 65.852 65.865 -0.013 25744 220 1 . 1 1 64 64 VAL CB C 64 31.718 31.718 31.194 0.524 25744 221 1 . 1 1 64 64 VAL H H 64 8.107 8.107 8.422 -0.315 25744 222 1 . 1 1 65 65 LEU N N 65 120.681 120.681 120.054 0.627 25744 223 1 . 1 1 65 65 LEU CA C 65 57.556 57.556 58.946 -1.390 25744 224 1 . 1 1 65 65 LEU CB C 65 43.333 43.333 40.861 2.472 25744 225 1 . 1 1 65 65 LEU H H 65 8.948 8.948 8.300 0.648 25744 226 1 . 1 1 66 66 ALA N N 66 118.509 118.509 121.420 -2.911 25744 227 1 . 1 1 66 66 ALA CA C 66 54.830 54.830 54.664 0.166 25744 228 1 . 1 1 66 66 ALA CB C 66 19.155 19.155 18.232 0.923 25744 229 1 . 1 1 66 66 ALA H H 66 7.390 7.390 7.831 -0.441 25744 230 1 . 1 1 67 67 GLU N N 67 114.309 114.309 119.099 -4.790 25744 231 1 . 1 1 67 67 GLU CA C 67 57.700 57.700 58.522 -0.822 25744 232 1 . 1 1 67 67 GLU CB C 67 32.531 32.531 30.017 2.514 25744 233 1 . 1 1 67 67 GLU H H 67 7.369 7.369 7.882 -0.513 25744 234 1 . 1 1 68 68 GLN N N 68 116.281 116.281 116.853 -0.572 25744 235 1 . 1 1 68 68 GLN CA C 68 55.778 55.778 55.658 0.120 25744 236 1 . 1 1 68 68 GLN CB C 68 30.889 30.889 31.142 -0.253 25744 237 1 . 1 1 68 68 GLN H H 68 8.914 8.914 8.082 0.832 25744 238 1 . 1 1 69 69 GLY N N 69 109.577 109.577 107.475 2.102 25744 239 1 . 1 1 69 69 GLY CA C 69 45.941 45.941 44.571 1.370 25744 240 1 . 1 1 69 69 GLY H H 69 8.134 8.134 7.841 0.293 25744 241 1 . 1 1 70 70 LEU N N 70 121.331 121.331 118.009 3.322 25744 242 1 . 1 1 70 70 LEU CA C 70 54.522 54.522 56.985 -2.463 25744 243 1 . 1 1 70 70 LEU CB C 70 41.954 41.954 41.821 0.133 25744 244 1 . 1 1 70 70 LEU H H 70 8.519 8.519 8.570 -0.051 25744 245 1 . 1 1 71 71 ASP N N 71 120.681 120.681 120.224 0.457 25744 246 1 . 1 1 71 71 ASP CA C 71 57.082 57.082 56.184 0.898 25744 247 1 . 1 1 71 71 ASP CB C 71 40.844 40.844 40.214 0.630 25744 248 1 . 1 1 71 71 ASP H H 71 7.718 7.718 8.312 -0.594 25744 249 1 . 1 1 72 72 ALA N N 72 119.110 119.110 121.835 -2.725 25744 250 1 . 1 1 72 72 ALA CA C 72 53.289 53.289 53.391 -0.102 25744 251 1 . 1 1 72 72 ALA CB C 72 15.885 15.885 18.638 -2.753 25744 252 1 . 1 1 72 72 ALA H H 72 8.009 8.009 7.645 0.364 25744 253 1 . 1 1 73 73 TRP N N 73 117.503 117.503 118.330 -0.827 25744 254 1 . 1 1 73 73 TRP CA C 73 56.963 56.963 54.750 2.213 25744 255 1 . 1 1 73 73 TRP CB C 73 28.163 28.163 29.233 -1.070 25744 256 1 . 1 1 73 73 TRP H H 73 7.791 7.791 7.706 0.085 25744 257 1 . 1 1 74 74 PRO CA C 74 65.586 65.586 64.306 1.280 25744 258 1 . 1 1 74 74 PRO CB C 74 32.234 32.234 32.003 0.231 25744 259 1 . 1 1 75 75 THR N N 75 111.008 111.008 110.950 0.058 25744 260 1 . 1 1 75 75 THR CA C 75 63.482 63.482 63.532 -0.050 25744 261 1 . 1 1 75 75 THR CB C 75 68.815 68.815 68.693 0.122 25744 262 1 . 1 1 75 75 THR H H 75 8.197 8.197 8.502 -0.305 25744 263 1 . 1 1 76 76 CYS N N 76 119.131 119.131 120.280 -1.149 25744 264 1 . 1 1 76 76 CYS CA C 76 54.853 54.853 58.901 -4.048 25744 265 1 . 1 1 76 76 CYS CB C 76 39.280 39.280 28.440 10.840 25744 266 1 . 1 1 76 76 CYS H H 76 8.144 8.144 8.054 0.090 25744 267 1 . 1 1 77 77 GLY N N 77 110.834 110.834 109.452 1.382 25744 268 1 . 1 1 77 77 GLY CA C 77 48.430 48.430 44.787 3.643 25744 269 1 . 1 1 77 77 GLY H H 77 8.774 8.774 8.137 0.637 25744 270 1 . 1 1 78 78 ALA N N 78 123.300 123.300 125.519 -2.219 25744 271 1 . 1 1 78 78 ALA CA C 78 53.882 53.882 53.970 -0.088 25744 272 1 . 1 1 78 78 ALA CB C 78 18.563 18.563 17.410 1.153 25744 273 1 . 1 1 78 78 ALA H H 78 8.142 8.142 7.928 0.214 25744 274 1 . 1 1 80 80 SER N N 80 111.423 111.423 111.776 -0.353 25744 275 1 . 1 1 80 80 SER CA C 80 59.723 59.723 58.558 1.165 25744 276 1 . 1 1 80 80 SER CB C 80 63.648 63.648 64.512 -0.864 25744 277 1 . 1 1 80 80 SER H H 80 7.742 7.742 7.812 -0.069 25744 278 1 . 1 1 81 81 GLY N N 81 111.317 111.317 110.665 0.652 25744 279 1 . 1 1 81 81 GLY CA C 81 45.430 45.430 45.715 -0.285 25744 280 1 . 1 1 81 81 GLY H H 81 7.562 7.562 7.850 -0.288 25744 stop_ save_