data_25974 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25974 _Entry.PDB_ID 2NBF 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 25974 _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 2 2 LYS N N 2 119.918 119.918 122.176 -2.258 25974 2 1 1 . 1 1 2 2 LYS HA H 2 5.230 5.230 3.955 1.275 25974 3 1 1 . 1 1 2 2 LYS H H 2 8.167 8.167 8.187 -0.020 25974 4 1 1 . 1 1 3 3 TYR N N 3 122.493 122.493 123.107 -0.614 25974 5 1 1 . 1 1 3 3 TYR HA H 3 4.809 4.809 4.603 0.206 25974 6 1 1 . 1 1 3 3 TYR H H 3 8.939 8.939 8.145 0.794 25974 7 1 1 . 1 1 4 4 THR N N 4 117.297 117.297 117.673 -0.376 25974 8 1 1 . 1 1 4 4 THR HA H 4 5.042 5.042 4.660 0.382 25974 9 1 1 . 1 1 4 4 THR H H 4 8.885 8.885 8.538 0.347 25974 10 1 1 . 1 1 5 5 GLY N N 5 115.452 115.452 112.902 2.550 25974 11 1 1 . 1 1 5 5 GLY H H 5 9.135 9.135 9.073 0.062 25974 12 1 1 . 1 1 6 6 LYS N N 6 121.001 121.001 117.005 3.996 25974 13 1 1 . 1 1 6 6 LYS HA H 6 5.378 5.378 5.174 0.204 25974 14 1 1 . 1 1 6 6 LYS H H 6 8.422 8.422 8.133 0.289 25974 15 1 1 . 1 1 7 7 CYS N N 7 122.647 122.647 117.505 5.142 25974 16 1 1 . 1 1 7 7 CYS HA H 7 6.297 6.297 5.250 1.047 25974 17 1 1 . 1 1 7 7 CYS H H 7 9.767 9.767 8.880 0.887 25974 18 1 1 . 1 1 8 8 THR N N 8 113.493 113.493 113.459 0.034 25974 19 1 1 . 1 1 8 8 THR HA H 8 4.704 4.704 4.988 -0.284 25974 20 1 1 . 1 1 8 8 THR H H 8 8.716 8.716 8.016 0.700 25974 21 1 1 . 1 1 9 9 LYS N N 9 127.640 127.640 125.870 1.770 25974 22 1 1 . 1 1 9 9 LYS HA H 9 3.493 3.493 4.095 -0.602 25974 23 1 1 . 1 1 9 9 LYS H H 9 8.947 8.947 8.561 0.386 25974 24 1 1 . 1 1 10 10 SER N N 10 116.726 116.726 115.285 1.441 25974 25 1 1 . 1 1 10 10 SER HA H 10 4.006 4.006 4.193 -0.187 25974 26 1 1 . 1 1 10 10 SER H H 10 9.484 9.484 7.772 1.712 25974 27 1 1 . 1 1 11 11 LYS N N 11 116.973 116.973 117.100 -0.127 25974 28 1 1 . 1 1 11 11 LYS HA H 11 4.153 4.153 4.446 -0.293 25974 29 1 1 . 1 1 11 11 LYS H H 11 7.051 7.051 7.754 -0.703 25974 30 1 1 . 1 1 12 12 ASN N N 12 120.652 120.652 118.772 1.880 25974 31 1 1 . 1 1 12 12 ASN HA H 12 4.566 4.566 4.397 0.169 25974 32 1 1 . 1 1 12 12 ASN H H 12 7.590 7.590 8.306 -0.716 25974 33 1 1 . 1 1 13 13 GLU N N 13 115.322 115.322 123.015 -7.693 25974 34 1 1 . 1 1 13 13 GLU HA H 13 4.896 4.896 4.425 0.471 25974 35 1 1 . 1 1 13 13 GLU H H 13 7.290 7.290 8.337 -1.047 25974 36 1 1 . 1 1 14 14 CYS N N 14 123.345 123.345 126.115 -2.770 25974 37 1 1 . 1 1 14 14 CYS HA H 14 4.639 4.639 4.474 0.165 25974 38 1 1 . 1 1 14 14 CYS H H 14 9.588 9.588 8.944 0.644 25974 39 1 1 . 1 1 15 15 LYS N N 15 110.722 110.722 130.634 -19.912 25974 40 1 1 . 1 1 15 15 LYS HA H 15 4.946 4.946 5.544 -0.598 25974 41 1 1 . 1 1 15 15 LYS H H 15 8.636 8.636 8.659 -0.023 25974 42 1 1 . 1 1 16 16 TYR N N 16 126.630 126.630 119.993 6.637 25974 43 1 1 . 1 1 16 16 TYR HA H 16 4.899 4.899 4.864 0.035 25974 44 1 1 . 1 1 16 16 TYR H H 16 8.998 8.998 9.168 -0.170 25974 45 1 1 . 1 1 17 17 LYS N N 17 120.977 120.977 117.920 3.057 25974 46 1 1 . 1 1 17 17 LYS HA H 17 4.406 4.406 4.723 -0.317 25974 47 1 1 . 1 1 17 17 LYS H H 17 8.421 8.421 8.147 0.274 25974 48 1 1 . 1 1 18 18 ASN N N 18 122.224 122.224 120.170 2.054 25974 49 1 1 . 1 1 18 18 ASN HA H 18 4.102 4.102 4.318 -0.216 25974 50 1 1 . 1 1 18 18 ASN H H 18 7.735 7.735 8.134 -0.399 25974 51 1 1 . 1 1 19 19 ASP N N 19 117.436 117.436 119.184 -1.748 25974 52 1 1 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.571 -0.187 25974 53 1 1 . 1 1 19 19 ASP H H 19 8.238 8.238 8.140 0.098 25974 54 1 1 . 1 1 20 20 ALA N N 20 120.895 120.895 120.222 0.673 25974 55 1 1 . 1 1 20 20 ALA HA H 20 4.409 4.409 4.460 -0.051 25974 56 1 1 . 1 1 20 20 ALA H H 20 7.419 7.419 7.933 -0.514 25974 57 1 1 . 1 1 21 21 GLY N N 21 127.668 127.668 107.324 20.344 25974 58 1 1 . 1 1 21 21 GLY H H 21 8.170 8.170 8.108 0.062 25974 59 1 1 . 1 1 22 22 LYS N N 22 120.354 120.354 122.373 -2.019 25974 60 1 1 . 1 1 22 22 LYS HA H 22 4.309 4.309 4.184 0.125 25974 61 1 1 . 1 1 22 22 LYS H H 22 7.682 7.682 7.855 -0.173 25974 62 1 1 . 1 1 23 23 ASP N N 23 126.398 126.398 127.201 -0.803 25974 63 1 1 . 1 1 23 23 ASP HA H 23 4.256 4.256 4.505 -0.249 25974 64 1 1 . 1 1 23 23 ASP H H 23 8.610 8.610 8.456 0.154 25974 65 1 1 . 1 1 24 24 THR N N 24 122.770 122.770 119.281 3.489 25974 66 1 1 . 1 1 24 24 THR HA H 24 4.012 4.012 4.203 -0.191 25974 67 1 1 . 1 1 24 24 THR H H 24 8.782 8.782 8.635 0.147 25974 68 1 1 . 1 1 25 25 PHE N N 25 122.423 122.423 124.414 -1.991 25974 69 1 1 . 1 1 25 25 PHE HA H 25 5.404 5.404 5.251 0.153 25974 70 1 1 . 1 1 25 25 PHE H H 25 8.328 8.328 8.284 0.044 25974 71 1 1 . 1 1 26 26 ILE N N 26 123.029 123.029 120.874 2.155 25974 72 1 1 . 1 1 26 26 ILE HA H 26 4.614 4.614 4.502 0.112 25974 73 1 1 . 1 1 26 26 ILE H H 26 9.138 9.138 8.888 0.250 25974 74 1 1 . 1 1 27 27 LYS N N 27 127.077 127.077 127.548 -0.471 25974 75 1 1 . 1 1 27 27 LYS HA H 27 4.163 4.163 4.265 -0.102 25974 76 1 1 . 1 1 27 27 LYS H H 27 8.335 8.335 8.289 0.046 25974 77 1 1 . 1 1 28 28 CYS N N 28 120.248 120.248 119.773 0.475 25974 78 1 1 . 1 1 28 28 CYS HA H 28 4.659 4.659 4.892 -0.233 25974 79 1 1 . 1 1 28 28 CYS H H 28 8.618 8.618 8.799 -0.181 25974 80 1 1 . 1 1 29 29 PRO HA H 29 4.426 4.426 4.293 0.133 25974 81 1 1 . 1 1 30 30 LYS N N 30 115.643 115.643 119.521 -3.878 25974 82 1 1 . 1 1 30 30 LYS HA H 30 3.949 3.949 3.867 0.082 25974 83 1 1 . 1 1 30 30 LYS H H 30 8.002 8.002 8.324 -0.322 25974 84 1 1 . 1 1 31 31 PHE N N 31 116.470 116.470 117.535 -1.065 25974 85 1 1 . 1 1 31 31 PHE HA H 31 4.504 4.504 4.664 -0.160 25974 86 1 1 . 1 1 31 31 PHE H H 31 6.308 6.308 7.624 -1.316 25974 87 1 1 . 1 1 32 32 ASP HA H 32 4.144 4.144 4.400 -0.256 25974 88 1 1 . 1 1 33 33 ASN N N 33 113.110 113.110 116.295 -3.185 25974 89 1 1 . 1 1 33 33 ASN HA H 33 4.673 4.673 4.753 -0.080 25974 90 1 1 . 1 1 33 33 ASN H H 33 8.564 8.564 8.126 0.438 25974 91 1 1 . 1 1 34 34 LYS N N 34 120.347 120.347 118.530 1.817 25974 92 1 1 . 1 1 34 34 LYS HA H 34 4.984 4.984 4.493 0.491 25974 93 1 1 . 1 1 34 34 LYS H H 34 7.914 7.914 8.018 -0.104 25974 94 1 1 . 1 1 35 35 LYS N N 35 117.863 117.863 118.243 -0.380 25974 95 1 1 . 1 1 35 35 LYS HA H 35 4.608 4.608 4.298 0.310 25974 96 1 1 . 1 1 35 35 LYS H H 35 7.005 7.005 7.551 -0.546 25974 97 1 1 . 1 1 36 36 CYS N N 36 118.915 118.915 119.683 -0.768 25974 98 1 1 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.349 0.508 25974 99 1 1 . 1 1 36 36 CYS H H 36 8.817 8.817 8.518 0.299 25974 100 1 1 . 1 1 37 37 THR N N 37 121.008 121.008 114.571 6.437 25974 101 1 1 . 1 1 37 37 THR HA H 37 4.300 4.300 4.438 -0.138 25974 102 1 1 . 1 1 37 37 THR H H 37 9.980 9.980 8.718 1.262 25974 103 1 1 . 1 1 38 38 LYS N N 38 122.326 122.326 121.742 0.584 25974 104 1 1 . 1 1 38 38 LYS HA H 38 4.137 4.137 4.540 -0.403 25974 105 1 1 . 1 1 38 38 LYS H H 38 7.287 7.287 7.514 -0.227 25974 106 1 1 . 1 1 39 39 ASP N N 39 125.238 125.238 121.584 3.654 25974 107 1 1 . 1 1 39 39 ASP HA H 39 4.578 4.578 4.581 -0.003 25974 108 1 1 . 1 1 39 39 ASP H H 39 8.817 8.817 8.479 0.338 25974 109 1 1 . 1 1 40 40 ASN N N 40 114.713 114.713 120.838 -6.125 25974 110 1 1 . 1 1 40 40 ASN HA H 40 4.272 4.272 4.257 0.015 25974 111 1 1 . 1 1 40 40 ASN H H 40 9.532 9.532 8.851 0.681 25974 112 1 1 . 1 1 41 41 ASN N N 41 120.080 120.080 117.031 3.049 25974 113 1 1 . 1 1 41 41 ASN HA H 41 4.717 4.717 4.604 0.113 25974 114 1 1 . 1 1 41 41 ASN H H 41 7.742 7.742 7.781 -0.039 25974 115 1 1 . 1 1 42 42 LYS N N 42 118.956 118.956 119.728 -0.772 25974 116 1 1 . 1 1 42 42 LYS HA H 42 4.346 4.346 4.659 -0.313 25974 117 1 1 . 1 1 42 42 LYS H H 42 8.397 8.397 8.323 0.074 25974 118 1 1 . 1 1 43 43 CYS N N 43 112.235 112.235 120.829 -8.594 25974 119 1 1 . 1 1 43 43 CYS HA H 43 5.335 5.335 5.374 -0.039 25974 120 1 1 . 1 1 43 43 CYS H H 43 7.397 7.397 8.850 -1.453 25974 121 1 1 . 1 1 44 44 THR N N 44 112.586 112.586 115.776 -3.190 25974 122 1 1 . 1 1 44 44 THR HA H 44 5.221 5.221 5.076 0.145 25974 123 1 1 . 1 1 44 44 THR H H 44 8.674 8.674 8.357 0.317 25974 124 1 1 . 1 1 45 45 VAL N N 45 121.814 121.814 123.380 -1.566 25974 125 1 1 . 1 1 45 45 VAL HA H 45 4.430 4.430 4.146 0.284 25974 126 1 1 . 1 1 45 45 VAL H H 45 8.555 8.555 8.628 -0.073 25974 127 1 1 . 1 1 46 46 ASP N N 46 126.626 126.626 127.907 -1.281 25974 128 1 1 . 1 1 46 46 ASP HA H 46 5.334 5.334 5.006 0.328 25974 129 1 1 . 1 1 46 46 ASP H H 46 8.519 8.519 8.199 0.320 25974 130 1 1 . 1 1 47 47 THR N N 47 114.334 114.334 113.989 0.345 25974 131 1 1 . 1 1 47 47 THR HA H 47 4.187 4.187 4.126 0.061 25974 132 1 1 . 1 1 47 47 THR H H 47 9.116 9.116 8.545 0.571 25974 133 1 1 . 1 1 48 48 TYR N N 48 124.010 124.010 123.105 0.905 25974 134 1 1 . 1 1 48 48 TYR HA H 48 4.374 4.374 4.252 0.122 25974 135 1 1 . 1 1 48 48 TYR H H 48 8.803 8.803 8.382 0.421 25974 136 1 1 . 1 1 49 49 ASN N N 49 113.668 113.668 113.697 -0.029 25974 137 1 1 . 1 1 49 49 ASN HA H 49 4.475 4.475 4.616 -0.141 25974 138 1 1 . 1 1 49 49 ASN H H 49 7.433 7.433 7.730 -0.297 25974 139 1 1 . 1 1 50 50 ASN N N 50 117.403 117.403 119.249 -1.846 25974 140 1 1 . 1 1 50 50 ASN HA H 50 4.199 4.199 4.319 -0.120 25974 141 1 1 . 1 1 50 50 ASN H H 50 7.863 7.863 8.011 -0.148 25974 142 1 1 . 1 1 51 51 ALA N N 51 121.102 121.102 125.420 -4.318 25974 143 1 1 . 1 1 51 51 ALA HA H 51 4.437 4.437 4.370 0.067 25974 144 1 1 . 1 1 51 51 ALA H H 51 7.853 7.853 7.534 0.319 25974 145 1 1 . 1 1 52 52 VAL N N 52 126.326 126.326 121.748 4.578 25974 146 1 1 . 1 1 52 52 VAL HA H 52 4.875 4.875 4.555 0.320 25974 147 1 1 . 1 1 52 52 VAL H H 52 8.297 8.297 8.277 0.020 25974 148 1 1 . 1 1 53 53 ASP N N 53 125.100 125.100 126.800 -1.700 25974 149 1 1 . 1 1 53 53 ASP HA H 53 4.795 4.795 5.210 -0.415 25974 150 1 1 . 1 1 53 53 ASP H H 53 8.519 8.519 8.466 0.053 25974 151 1 1 . 1 1 54 54 CYS N N 54 126.377 126.377 119.332 7.045 25974 152 1 1 . 1 1 54 54 CYS HA H 54 4.678 4.678 4.316 0.362 25974 153 1 1 . 1 1 54 54 CYS H H 54 8.609 8.609 8.205 0.404 25974 154 1 2 . 1 1 2 2 LYS N N 2 119.918 119.918 120.866 -0.948 25974 155 1 2 . 1 1 2 2 LYS HA H 2 5.230 5.230 4.640 0.590 25974 156 1 2 . 1 1 2 2 LYS H H 2 8.167 8.167 7.844 0.323 25974 157 1 2 . 1 1 3 3 TYR N N 3 122.493 122.493 126.017 -3.524 25974 158 1 2 . 1 1 3 3 TYR HA H 3 4.809 4.809 4.723 0.086 25974 159 1 2 . 1 1 3 3 TYR H H 3 8.939 8.939 9.197 -0.258 25974 160 1 2 . 1 1 4 4 THR N N 4 117.297 117.297 115.440 1.857 25974 161 1 2 . 1 1 4 4 THR HA H 4 5.042 5.042 4.672 0.370 25974 162 1 2 . 1 1 4 4 THR H H 4 8.885 8.885 8.469 0.416 25974 163 1 2 . 1 1 5 5 GLY N N 5 115.452 115.452 112.038 3.414 25974 164 1 2 . 1 1 5 5 GLY H H 5 9.135 9.135 9.149 -0.014 25974 165 1 2 . 1 1 6 6 LYS N N 6 121.001 121.001 117.310 3.691 25974 166 1 2 . 1 1 6 6 LYS HA H 6 5.378 5.378 5.243 0.135 25974 167 1 2 . 1 1 6 6 LYS H H 6 8.422 8.422 8.012 0.410 25974 168 1 2 . 1 1 7 7 CYS N N 7 122.647 122.647 116.998 5.649 25974 169 1 2 . 1 1 7 7 CYS HA H 7 6.297 6.297 5.176 1.121 25974 170 1 2 . 1 1 7 7 CYS H H 7 9.767 9.767 8.923 0.844 25974 171 1 2 . 1 1 8 8 THR N N 8 113.493 113.493 113.249 0.244 25974 172 1 2 . 1 1 8 8 THR HA H 8 4.704 4.704 4.898 -0.194 25974 173 1 2 . 1 1 8 8 THR H H 8 8.716 8.716 8.088 0.628 25974 174 1 2 . 1 1 9 9 LYS N N 9 127.640 127.640 125.546 2.094 25974 175 1 2 . 1 1 9 9 LYS HA H 9 3.493 3.493 4.093 -0.600 25974 176 1 2 . 1 1 9 9 LYS H H 9 8.947 8.947 8.392 0.555 25974 177 1 2 . 1 1 10 10 SER N N 10 116.726 116.726 117.071 -0.345 25974 178 1 2 . 1 1 10 10 SER HA H 10 4.006 4.006 4.213 -0.207 25974 179 1 2 . 1 1 10 10 SER H H 10 9.484 9.484 7.860 1.624 25974 180 1 2 . 1 1 11 11 LYS N N 11 116.973 116.973 117.114 -0.141 25974 181 1 2 . 1 1 11 11 LYS HA H 11 4.153 4.153 4.471 -0.318 25974 182 1 2 . 1 1 11 11 LYS H H 11 7.051 7.051 8.302 -1.251 25974 183 1 2 . 1 1 12 12 ASN N N 12 120.652 120.652 118.676 1.976 25974 184 1 2 . 1 1 12 12 ASN HA H 12 4.566 4.566 4.500 0.066 25974 185 1 2 . 1 1 12 12 ASN H H 12 7.590 7.590 8.156 -0.566 25974 186 1 2 . 1 1 13 13 GLU N N 13 115.322 115.322 123.840 -8.518 25974 187 1 2 . 1 1 13 13 GLU HA H 13 4.896 4.896 4.438 0.458 25974 188 1 2 . 1 1 13 13 GLU H H 13 7.290 7.290 8.388 -1.098 25974 189 1 2 . 1 1 14 14 CYS N N 14 123.345 123.345 125.487 -2.142 25974 190 1 2 . 1 1 14 14 CYS HA H 14 4.639 4.639 4.714 -0.075 25974 191 1 2 . 1 1 14 14 CYS H H 14 9.588 9.588 8.731 0.857 25974 192 1 2 . 1 1 15 15 LYS N N 15 110.722 110.722 129.075 -18.353 25974 193 1 2 . 1 1 15 15 LYS HA H 15 4.946 4.946 5.568 -0.622 25974 194 1 2 . 1 1 15 15 LYS H H 15 8.636 8.636 8.452 0.184 25974 195 1 2 . 1 1 16 16 TYR N N 16 126.630 126.630 120.169 6.461 25974 196 1 2 . 1 1 16 16 TYR HA H 16 4.899 4.899 4.891 0.008 25974 197 1 2 . 1 1 16 16 TYR H H 16 8.998 8.998 9.246 -0.248 25974 198 1 2 . 1 1 17 17 LYS N N 17 120.977 120.977 118.767 2.210 25974 199 1 2 . 1 1 17 17 LYS HA H 17 4.406 4.406 4.667 -0.261 25974 200 1 2 . 1 1 17 17 LYS H H 17 8.421 8.421 8.264 0.157 25974 201 1 2 . 1 1 18 18 ASN N N 18 122.224 122.224 118.749 3.475 25974 202 1 2 . 1 1 18 18 ASN HA H 18 4.102 4.102 4.126 -0.024 25974 203 1 2 . 1 1 18 18 ASN H H 18 7.735 7.735 8.120 -0.385 25974 204 1 2 . 1 1 19 19 ASP N N 19 117.436 117.436 120.024 -2.588 25974 205 1 2 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.491 -0.107 25974 206 1 2 . 1 1 19 19 ASP H H 19 8.238 8.238 8.468 -0.230 25974 207 1 2 . 1 1 20 20 ALA N N 20 120.895 120.895 119.163 1.732 25974 208 1 2 . 1 1 20 20 ALA HA H 20 4.409 4.409 4.370 0.038 25974 209 1 2 . 1 1 20 20 ALA H H 20 7.419 7.419 7.619 -0.200 25974 210 1 2 . 1 1 21 21 GLY N N 21 127.668 127.668 106.546 21.122 25974 211 1 2 . 1 1 21 21 GLY H H 21 8.170 8.170 8.153 0.017 25974 212 1 2 . 1 1 22 22 LYS N N 22 120.354 120.354 123.691 -3.337 25974 213 1 2 . 1 1 22 22 LYS HA H 22 4.309 4.309 4.156 0.153 25974 214 1 2 . 1 1 22 22 LYS H H 22 7.682 7.682 7.842 -0.160 25974 215 1 2 . 1 1 23 23 ASP N N 23 126.398 126.398 125.557 0.841 25974 216 1 2 . 1 1 23 23 ASP HA H 23 4.256 4.256 4.519 -0.263 25974 217 1 2 . 1 1 23 23 ASP H H 23 8.610 8.610 8.350 0.260 25974 218 1 2 . 1 1 24 24 THR N N 24 122.770 122.770 119.268 3.502 25974 219 1 2 . 1 1 24 24 THR HA H 24 4.012 4.012 4.200 -0.188 25974 220 1 2 . 1 1 24 24 THR H H 24 8.782 8.782 8.518 0.264 25974 221 1 2 . 1 1 25 25 PHE N N 25 122.423 122.423 125.995 -3.572 25974 222 1 2 . 1 1 25 25 PHE HA H 25 5.404 5.404 4.754 0.650 25974 223 1 2 . 1 1 25 25 PHE H H 25 8.328 8.328 8.355 -0.027 25974 224 1 2 . 1 1 26 26 ILE N N 26 123.029 123.029 124.984 -1.955 25974 225 1 2 . 1 1 26 26 ILE HA H 26 4.614 4.614 4.599 0.015 25974 226 1 2 . 1 1 26 26 ILE H H 26 9.138 9.138 9.129 0.009 25974 227 1 2 . 1 1 27 27 LYS N N 27 127.077 127.077 126.976 0.101 25974 228 1 2 . 1 1 27 27 LYS HA H 27 4.163 4.163 4.226 -0.063 25974 229 1 2 . 1 1 27 27 LYS H H 27 8.335 8.335 8.358 -0.023 25974 230 1 2 . 1 1 28 28 CYS N N 28 120.248 120.248 121.203 -0.955 25974 231 1 2 . 1 1 28 28 CYS HA H 28 4.659 4.659 4.906 -0.247 25974 232 1 2 . 1 1 28 28 CYS H H 28 8.618 8.618 8.525 0.093 25974 233 1 2 . 1 1 29 29 PRO HA H 29 4.426 4.426 4.297 0.129 25974 234 1 2 . 1 1 30 30 LYS N N 30 115.643 115.643 118.173 -2.530 25974 235 1 2 . 1 1 30 30 LYS HA H 30 3.949 3.949 3.920 0.029 25974 236 1 2 . 1 1 30 30 LYS H H 30 8.002 8.002 8.288 -0.286 25974 237 1 2 . 1 1 31 31 PHE N N 31 116.470 116.470 116.629 -0.159 25974 238 1 2 . 1 1 31 31 PHE HA H 31 4.504 4.504 4.662 -0.158 25974 239 1 2 . 1 1 31 31 PHE H H 31 6.308 6.308 7.435 -1.127 25974 240 1 2 . 1 1 32 32 ASP HA H 32 4.144 4.144 4.734 -0.590 25974 241 1 2 . 1 1 33 33 ASN N N 33 113.110 113.110 117.406 -4.296 25974 242 1 2 . 1 1 33 33 ASN HA H 33 4.673 4.673 4.847 -0.174 25974 243 1 2 . 1 1 33 33 ASN H H 33 8.564 8.564 8.222 0.342 25974 244 1 2 . 1 1 34 34 LYS N N 34 120.347 120.347 117.610 2.737 25974 245 1 2 . 1 1 34 34 LYS HA H 34 4.984 4.984 4.451 0.533 25974 246 1 2 . 1 1 34 34 LYS H H 34 7.914 7.914 8.360 -0.446 25974 247 1 2 . 1 1 35 35 LYS N N 35 117.863 117.863 118.871 -1.008 25974 248 1 2 . 1 1 35 35 LYS HA H 35 4.608 4.608 4.238 0.370 25974 249 1 2 . 1 1 35 35 LYS H H 35 7.005 7.005 7.573 -0.568 25974 250 1 2 . 1 1 36 36 CYS N N 36 118.915 118.915 119.274 -0.359 25974 251 1 2 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.336 0.521 25974 252 1 2 . 1 1 36 36 CYS H H 36 8.817 8.817 8.516 0.301 25974 253 1 2 . 1 1 37 37 THR N N 37 121.008 121.008 114.424 6.584 25974 254 1 2 . 1 1 37 37 THR HA H 37 4.300 4.300 4.447 -0.147 25974 255 1 2 . 1 1 37 37 THR H H 37 9.980 9.980 8.506 1.474 25974 256 1 2 . 1 1 38 38 LYS N N 38 122.326 122.326 120.812 1.514 25974 257 1 2 . 1 1 38 38 LYS HA H 38 4.137 4.137 4.434 -0.297 25974 258 1 2 . 1 1 38 38 LYS H H 38 7.287 7.287 7.457 -0.170 25974 259 1 2 . 1 1 39 39 ASP N N 39 125.238 125.238 120.843 4.395 25974 260 1 2 . 1 1 39 39 ASP HA H 39 4.578 4.578 4.627 -0.049 25974 261 1 2 . 1 1 39 39 ASP H H 39 8.817 8.817 8.486 0.331 25974 262 1 2 . 1 1 40 40 ASN N N 40 114.713 114.713 121.325 -6.612 25974 263 1 2 . 1 1 40 40 ASN HA H 40 4.272 4.272 4.306 -0.034 25974 264 1 2 . 1 1 40 40 ASN H H 40 9.532 9.532 8.975 0.557 25974 265 1 2 . 1 1 41 41 ASN N N 41 120.080 120.080 115.935 4.145 25974 266 1 2 . 1 1 41 41 ASN HA H 41 4.717 4.717 4.631 0.086 25974 267 1 2 . 1 1 41 41 ASN H H 41 7.742 7.742 7.811 -0.069 25974 268 1 2 . 1 1 42 42 LYS N N 42 118.956 118.956 119.770 -0.814 25974 269 1 2 . 1 1 42 42 LYS HA H 42 4.346 4.346 4.643 -0.297 25974 270 1 2 . 1 1 42 42 LYS H H 42 8.397 8.397 8.452 -0.055 25974 271 1 2 . 1 1 43 43 CYS N N 43 112.235 112.235 120.203 -7.968 25974 272 1 2 . 1 1 43 43 CYS HA H 43 5.335 5.335 5.448 -0.113 25974 273 1 2 . 1 1 43 43 CYS H H 43 7.397 7.397 8.824 -1.427 25974 274 1 2 . 1 1 44 44 THR N N 44 112.586 112.586 116.771 -4.185 25974 275 1 2 . 1 1 44 44 THR HA H 44 5.221 5.221 5.053 0.168 25974 276 1 2 . 1 1 44 44 THR H H 44 8.674 8.674 8.140 0.534 25974 277 1 2 . 1 1 45 45 VAL N N 45 121.814 121.814 124.956 -3.142 25974 278 1 2 . 1 1 45 45 VAL HA H 45 4.430 4.430 4.044 0.386 25974 279 1 2 . 1 1 45 45 VAL H H 45 8.555 8.555 8.384 0.171 25974 280 1 2 . 1 1 46 46 ASP N N 46 126.626 126.626 125.780 0.846 25974 281 1 2 . 1 1 46 46 ASP HA H 46 5.334 5.334 5.302 0.032 25974 282 1 2 . 1 1 46 46 ASP H H 46 8.519 8.519 8.195 0.324 25974 283 1 2 . 1 1 47 47 THR N N 47 114.334 114.334 120.222 -5.888 25974 284 1 2 . 1 1 47 47 THR HA H 47 4.187 4.187 4.198 -0.011 25974 285 1 2 . 1 1 47 47 THR H H 47 9.116 9.116 8.447 0.669 25974 286 1 2 . 1 1 48 48 TYR N N 48 124.010 124.010 121.759 2.251 25974 287 1 2 . 1 1 48 48 TYR HA H 48 4.374 4.374 4.278 0.096 25974 288 1 2 . 1 1 48 48 TYR H H 48 8.803 8.803 8.347 0.456 25974 289 1 2 . 1 1 49 49 ASN N N 49 113.668 113.668 113.002 0.666 25974 290 1 2 . 1 1 49 49 ASN HA H 49 4.475 4.475 4.541 -0.066 25974 291 1 2 . 1 1 49 49 ASN H H 49 7.433 7.433 7.614 -0.181 25974 292 1 2 . 1 1 50 50 ASN N N 50 117.403 117.403 119.112 -1.709 25974 293 1 2 . 1 1 50 50 ASN HA H 50 4.199 4.199 4.318 -0.119 25974 294 1 2 . 1 1 50 50 ASN H H 50 7.863 7.863 8.049 -0.186 25974 295 1 2 . 1 1 51 51 ALA N N 51 121.102 121.102 124.730 -3.628 25974 296 1 2 . 1 1 51 51 ALA HA H 51 4.437 4.437 4.357 0.080 25974 297 1 2 . 1 1 51 51 ALA H H 51 7.853 7.853 7.834 0.019 25974 298 1 2 . 1 1 52 52 VAL N N 52 126.326 126.326 122.446 3.880 25974 299 1 2 . 1 1 52 52 VAL HA H 52 4.875 4.875 4.682 0.193 25974 300 1 2 . 1 1 52 52 VAL H H 52 8.297 8.297 8.302 -0.005 25974 301 1 2 . 1 1 53 53 ASP N N 53 125.100 125.100 130.014 -4.914 25974 302 1 2 . 1 1 53 53 ASP HA H 53 4.795 4.795 4.939 -0.144 25974 303 1 2 . 1 1 53 53 ASP H H 53 8.519 8.519 8.529 -0.010 25974 304 1 2 . 1 1 54 54 CYS N N 54 126.377 126.377 120.135 6.242 25974 305 1 2 . 1 1 54 54 CYS HA H 54 4.678 4.678 4.250 0.428 25974 306 1 2 . 1 1 54 54 CYS H H 54 8.609 8.609 8.137 0.472 25974 307 1 3 . 1 1 2 2 LYS N N 2 119.918 119.918 119.773 0.145 25974 308 1 3 . 1 1 2 2 LYS HA H 2 5.230 5.230 3.780 1.450 25974 309 1 3 . 1 1 2 2 LYS H H 2 8.167 8.167 7.957 0.210 25974 310 1 3 . 1 1 3 3 TYR N N 3 122.493 122.493 119.526 2.967 25974 311 1 3 . 1 1 3 3 TYR HA H 3 4.809 4.809 4.759 0.050 25974 312 1 3 . 1 1 3 3 TYR H H 3 8.939 8.939 8.640 0.299 25974 313 1 3 . 1 1 4 4 THR N N 4 117.297 117.297 113.184 4.113 25974 314 1 3 . 1 1 4 4 THR HA H 4 5.042 5.042 4.703 0.339 25974 315 1 3 . 1 1 4 4 THR H H 4 8.885 8.885 8.300 0.585 25974 316 1 3 . 1 1 5 5 GLY N N 5 115.452 115.452 109.585 5.867 25974 317 1 3 . 1 1 5 5 GLY H H 5 9.135 9.135 8.821 0.314 25974 318 1 3 . 1 1 6 6 LYS N N 6 121.001 121.001 117.455 3.546 25974 319 1 3 . 1 1 6 6 LYS HA H 6 5.378 5.378 5.331 0.047 25974 320 1 3 . 1 1 6 6 LYS H H 6 8.422 8.422 7.920 0.502 25974 321 1 3 . 1 1 7 7 CYS N N 7 122.647 122.647 118.042 4.605 25974 322 1 3 . 1 1 7 7 CYS HA H 7 6.297 6.297 5.026 1.271 25974 323 1 3 . 1 1 7 7 CYS H H 7 9.767 9.767 9.241 0.526 25974 324 1 3 . 1 1 8 8 THR N N 8 113.493 113.493 113.001 0.492 25974 325 1 3 . 1 1 8 8 THR HA H 8 4.704 4.704 4.830 -0.126 25974 326 1 3 . 1 1 8 8 THR H H 8 8.716 8.716 8.478 0.238 25974 327 1 3 . 1 1 9 9 LYS N N 9 127.640 127.640 124.837 2.803 25974 328 1 3 . 1 1 9 9 LYS HA H 9 3.493 3.493 3.901 -0.408 25974 329 1 3 . 1 1 9 9 LYS H H 9 8.947 8.947 8.237 0.710 25974 330 1 3 . 1 1 10 10 SER N N 10 116.726 116.726 114.865 1.861 25974 331 1 3 . 1 1 10 10 SER HA H 10 4.006 4.006 4.253 -0.247 25974 332 1 3 . 1 1 10 10 SER H H 10 9.484 9.484 8.118 1.366 25974 333 1 3 . 1 1 11 11 LYS N N 11 116.973 116.973 118.178 -1.205 25974 334 1 3 . 1 1 11 11 LYS HA H 11 4.153 4.153 4.407 -0.254 25974 335 1 3 . 1 1 11 11 LYS H H 11 7.051 7.051 7.580 -0.529 25974 336 1 3 . 1 1 12 12 ASN N N 12 120.652 120.652 118.434 2.218 25974 337 1 3 . 1 1 12 12 ASN HA H 12 4.566 4.566 4.450 0.116 25974 338 1 3 . 1 1 12 12 ASN H H 12 7.590 7.590 8.708 -1.118 25974 339 1 3 . 1 1 13 13 GLU N N 13 115.322 115.322 120.621 -5.299 25974 340 1 3 . 1 1 13 13 GLU HA H 13 4.896 4.896 4.479 0.417 25974 341 1 3 . 1 1 13 13 GLU H H 13 7.290 7.290 8.387 -1.097 25974 342 1 3 . 1 1 14 14 CYS N N 14 123.345 123.345 125.760 -2.415 25974 343 1 3 . 1 1 14 14 CYS HA H 14 4.639 4.639 4.943 -0.304 25974 344 1 3 . 1 1 14 14 CYS H H 14 9.588 9.588 9.052 0.536 25974 345 1 3 . 1 1 15 15 LYS N N 15 110.722 110.722 128.849 -18.127 25974 346 1 3 . 1 1 15 15 LYS HA H 15 4.946 4.946 4.721 0.226 25974 347 1 3 . 1 1 15 15 LYS H H 15 8.636 8.636 7.990 0.646 25974 348 1 3 . 1 1 16 16 TYR N N 16 126.630 126.630 120.870 5.760 25974 349 1 3 . 1 1 16 16 TYR HA H 16 4.899 4.899 4.766 0.133 25974 350 1 3 . 1 1 16 16 TYR H H 16 8.998 8.998 8.429 0.569 25974 351 1 3 . 1 1 17 17 LYS N N 17 120.977 120.977 119.824 1.153 25974 352 1 3 . 1 1 17 17 LYS HA H 17 4.406 4.406 4.588 -0.182 25974 353 1 3 . 1 1 17 17 LYS H H 17 8.421 8.421 8.268 0.153 25974 354 1 3 . 1 1 18 18 ASN N N 18 122.224 122.224 121.163 1.061 25974 355 1 3 . 1 1 18 18 ASN HA H 18 4.102 4.102 4.333 -0.231 25974 356 1 3 . 1 1 18 18 ASN H H 18 7.735 7.735 7.939 -0.204 25974 357 1 3 . 1 1 19 19 ASP N N 19 117.436 117.436 119.504 -2.068 25974 358 1 3 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.543 -0.159 25974 359 1 3 . 1 1 19 19 ASP H H 19 8.238 8.238 8.440 -0.202 25974 360 1 3 . 1 1 20 20 ALA N N 20 120.895 120.895 118.847 2.048 25974 361 1 3 . 1 1 20 20 ALA HA H 20 4.409 4.409 4.440 -0.031 25974 362 1 3 . 1 1 20 20 ALA H H 20 7.419 7.419 7.656 -0.237 25974 363 1 3 . 1 1 21 21 GLY N N 21 127.668 127.668 107.328 20.340 25974 364 1 3 . 1 1 21 21 GLY H H 21 8.170 8.170 8.120 0.050 25974 365 1 3 . 1 1 22 22 LYS N N 22 120.354 120.354 121.856 -1.502 25974 366 1 3 . 1 1 22 22 LYS HA H 22 4.309 4.309 4.194 0.115 25974 367 1 3 . 1 1 22 22 LYS H H 22 7.682 7.682 7.832 -0.150 25974 368 1 3 . 1 1 23 23 ASP N N 23 126.398 126.398 126.143 0.255 25974 369 1 3 . 1 1 23 23 ASP HA H 23 4.256 4.256 4.575 -0.320 25974 370 1 3 . 1 1 23 23 ASP H H 23 8.610 8.610 8.383 0.227 25974 371 1 3 . 1 1 24 24 THR N N 24 122.770 122.770 120.401 2.369 25974 372 1 3 . 1 1 24 24 THR HA H 24 4.012 4.012 4.666 -0.654 25974 373 1 3 . 1 1 24 24 THR H H 24 8.782 8.782 8.473 0.309 25974 374 1 3 . 1 1 25 25 PHE N N 25 122.423 122.423 126.833 -4.410 25974 375 1 3 . 1 1 25 25 PHE HA H 25 5.404 5.404 4.741 0.663 25974 376 1 3 . 1 1 25 25 PHE H H 25 8.328 8.328 9.037 -0.709 25974 377 1 3 . 1 1 26 26 ILE N N 26 123.029 123.029 122.014 1.015 25974 378 1 3 . 1 1 26 26 ILE HA H 26 4.614 4.614 4.532 0.082 25974 379 1 3 . 1 1 26 26 ILE H H 26 9.138 9.138 8.062 1.076 25974 380 1 3 . 1 1 27 27 LYS N N 27 127.077 127.077 128.012 -0.935 25974 381 1 3 . 1 1 27 27 LYS HA H 27 4.163 4.163 4.253 -0.090 25974 382 1 3 . 1 1 27 27 LYS H H 27 8.335 8.335 8.273 0.062 25974 383 1 3 . 1 1 28 28 CYS N N 28 120.248 120.248 119.902 0.346 25974 384 1 3 . 1 1 28 28 CYS HA H 28 4.659 4.659 4.748 -0.089 25974 385 1 3 . 1 1 28 28 CYS H H 28 8.618 8.618 8.554 0.064 25974 386 1 3 . 1 1 29 29 PRO HA H 29 4.426 4.426 4.299 0.127 25974 387 1 3 . 1 1 30 30 LYS N N 30 115.643 115.643 119.134 -3.491 25974 388 1 3 . 1 1 30 30 LYS HA H 30 3.949 3.949 3.815 0.134 25974 389 1 3 . 1 1 30 30 LYS H H 30 8.002 8.002 8.210 -0.208 25974 390 1 3 . 1 1 31 31 PHE N N 31 116.470 116.470 115.170 1.300 25974 391 1 3 . 1 1 31 31 PHE HA H 31 4.504 4.504 4.558 -0.054 25974 392 1 3 . 1 1 31 31 PHE H H 31 6.308 6.308 7.278 -0.970 25974 393 1 3 . 1 1 32 32 ASP HA H 32 4.144 4.144 4.634 -0.490 25974 394 1 3 . 1 1 33 33 ASN N N 33 113.110 113.110 115.997 -2.887 25974 395 1 3 . 1 1 33 33 ASN HA H 33 4.673 4.673 4.833 -0.160 25974 396 1 3 . 1 1 33 33 ASN H H 33 8.564 8.564 8.106 0.458 25974 397 1 3 . 1 1 34 34 LYS N N 34 120.347 120.347 118.832 1.515 25974 398 1 3 . 1 1 34 34 LYS HA H 34 4.984 4.984 4.404 0.580 25974 399 1 3 . 1 1 34 34 LYS H H 34 7.914 7.914 8.035 -0.121 25974 400 1 3 . 1 1 35 35 LYS N N 35 117.863 117.863 118.191 -0.328 25974 401 1 3 . 1 1 35 35 LYS HA H 35 4.608 4.608 4.456 0.152 25974 402 1 3 . 1 1 35 35 LYS H H 35 7.005 7.005 7.657 -0.652 25974 403 1 3 . 1 1 36 36 CYS N N 36 118.915 118.915 119.138 -0.223 25974 404 1 3 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.408 0.449 25974 405 1 3 . 1 1 36 36 CYS H H 36 8.817 8.817 8.758 0.059 25974 406 1 3 . 1 1 37 37 THR N N 37 121.008 121.008 111.706 9.302 25974 407 1 3 . 1 1 37 37 THR HA H 37 4.300 4.300 4.320 -0.020 25974 408 1 3 . 1 1 37 37 THR H H 37 9.980 9.980 8.221 1.759 25974 409 1 3 . 1 1 38 38 LYS N N 38 122.326 122.326 119.937 2.389 25974 410 1 3 . 1 1 38 38 LYS HA H 38 4.137 4.137 4.501 -0.364 25974 411 1 3 . 1 1 38 38 LYS H H 38 7.287 7.287 7.563 -0.276 25974 412 1 3 . 1 1 39 39 ASP N N 39 125.238 125.238 118.648 6.590 25974 413 1 3 . 1 1 39 39 ASP HA H 39 4.578 4.578 4.631 -0.053 25974 414 1 3 . 1 1 39 39 ASP H H 39 8.817 8.817 8.433 0.384 25974 415 1 3 . 1 1 40 40 ASN N N 40 114.713 114.713 119.534 -4.821 25974 416 1 3 . 1 1 40 40 ASN HA H 40 4.272 4.272 4.319 -0.047 25974 417 1 3 . 1 1 40 40 ASN H H 40 9.532 9.532 9.007 0.525 25974 418 1 3 . 1 1 41 41 ASN N N 41 120.080 120.080 115.472 4.608 25974 419 1 3 . 1 1 41 41 ASN HA H 41 4.717 4.717 4.677 0.040 25974 420 1 3 . 1 1 41 41 ASN H H 41 7.742 7.742 8.185 -0.443 25974 421 1 3 . 1 1 42 42 LYS N N 42 118.956 118.956 120.724 -1.768 25974 422 1 3 . 1 1 42 42 LYS HA H 42 4.346 4.346 4.418 -0.072 25974 423 1 3 . 1 1 42 42 LYS H H 42 8.397 8.397 8.388 0.009 25974 424 1 3 . 1 1 43 43 CYS N N 43 112.235 112.235 121.680 -9.445 25974 425 1 3 . 1 1 43 43 CYS HA H 43 5.335 5.335 5.323 0.012 25974 426 1 3 . 1 1 43 43 CYS H H 43 7.397 7.397 8.427 -1.030 25974 427 1 3 . 1 1 44 44 THR N N 44 112.586 112.586 115.102 -2.516 25974 428 1 3 . 1 1 44 44 THR HA H 44 5.221 5.221 4.623 0.598 25974 429 1 3 . 1 1 44 44 THR H H 44 8.674 8.674 8.253 0.421 25974 430 1 3 . 1 1 45 45 VAL N N 45 121.814 121.814 123.886 -2.072 25974 431 1 3 . 1 1 45 45 VAL HA H 45 4.430 4.430 3.913 0.517 25974 432 1 3 . 1 1 45 45 VAL H H 45 8.555 8.555 8.624 -0.070 25974 433 1 3 . 1 1 46 46 ASP N N 46 126.626 126.626 125.828 0.798 25974 434 1 3 . 1 1 46 46 ASP HA H 46 5.334 5.334 4.887 0.447 25974 435 1 3 . 1 1 46 46 ASP H H 46 8.519 8.519 7.965 0.554 25974 436 1 3 . 1 1 47 47 THR N N 47 114.334 114.334 119.860 -5.526 25974 437 1 3 . 1 1 47 47 THR HA H 47 4.187 4.187 4.585 -0.398 25974 438 1 3 . 1 1 47 47 THR H H 47 9.116 9.116 8.839 0.277 25974 439 1 3 . 1 1 48 48 TYR N N 48 124.010 124.010 121.843 2.167 25974 440 1 3 . 1 1 48 48 TYR HA H 48 4.374 4.374 4.751 -0.377 25974 441 1 3 . 1 1 48 48 TYR H H 48 8.803 8.803 7.803 1.000 25974 442 1 3 . 1 1 49 49 ASN N N 49 113.668 113.668 116.248 -2.580 25974 443 1 3 . 1 1 49 49 ASN HA H 49 4.475 4.475 4.648 -0.173 25974 444 1 3 . 1 1 49 49 ASN H H 49 7.433 7.433 7.948 -0.515 25974 445 1 3 . 1 1 50 50 ASN N N 50 117.403 117.403 117.700 -0.297 25974 446 1 3 . 1 1 50 50 ASN HA H 50 4.199 4.199 4.306 -0.107 25974 447 1 3 . 1 1 50 50 ASN H H 50 7.863 7.863 8.053 -0.191 25974 448 1 3 . 1 1 51 51 ALA N N 51 121.102 121.102 123.808 -2.706 25974 449 1 3 . 1 1 51 51 ALA HA H 51 4.437 4.437 4.446 -0.009 25974 450 1 3 . 1 1 51 51 ALA H H 51 7.853 7.853 7.645 0.208 25974 451 1 3 . 1 1 52 52 VAL N N 52 126.326 126.326 121.800 4.526 25974 452 1 3 . 1 1 52 52 VAL HA H 52 4.875 4.875 4.259 0.616 25974 453 1 3 . 1 1 52 52 VAL H H 52 8.297 8.297 7.928 0.369 25974 454 1 3 . 1 1 53 53 ASP N N 53 125.100 125.100 129.324 -4.224 25974 455 1 3 . 1 1 53 53 ASP HA H 53 4.795 4.795 5.059 -0.264 25974 456 1 3 . 1 1 53 53 ASP H H 53 8.519 8.519 8.438 0.081 25974 457 1 3 . 1 1 54 54 CYS N N 54 126.377 126.377 119.158 7.219 25974 458 1 3 . 1 1 54 54 CYS HA H 54 4.678 4.678 4.269 0.409 25974 459 1 3 . 1 1 54 54 CYS H H 54 8.609 8.609 7.927 0.682 25974 460 1 4 . 1 1 2 2 LYS N N 2 119.918 119.918 123.195 -3.277 25974 461 1 4 . 1 1 2 2 LYS HA H 2 5.230 5.230 4.321 0.909 25974 462 1 4 . 1 1 2 2 LYS H H 2 8.167 8.167 7.870 0.297 25974 463 1 4 . 1 1 3 3 TYR N N 3 122.493 122.493 120.514 1.979 25974 464 1 4 . 1 1 3 3 TYR HA H 3 4.809 4.809 4.843 -0.034 25974 465 1 4 . 1 1 3 3 TYR H H 3 8.939 8.939 9.165 -0.226 25974 466 1 4 . 1 1 4 4 THR N N 4 117.297 117.297 117.589 -0.292 25974 467 1 4 . 1 1 4 4 THR HA H 4 5.042 5.042 4.610 0.432 25974 468 1 4 . 1 1 4 4 THR H H 4 8.885 8.885 8.559 0.326 25974 469 1 4 . 1 1 5 5 GLY N N 5 115.452 115.452 111.845 3.607 25974 470 1 4 . 1 1 5 5 GLY H H 5 9.135 9.135 8.894 0.241 25974 471 1 4 . 1 1 6 6 LYS N N 6 121.001 121.001 117.330 3.671 25974 472 1 4 . 1 1 6 6 LYS HA H 6 5.378 5.378 5.157 0.221 25974 473 1 4 . 1 1 6 6 LYS H H 6 8.422 8.422 7.890 0.532 25974 474 1 4 . 1 1 7 7 CYS N N 7 122.647 122.647 117.580 5.067 25974 475 1 4 . 1 1 7 7 CYS HA H 7 6.297 6.297 5.181 1.116 25974 476 1 4 . 1 1 7 7 CYS H H 7 9.767 9.767 8.994 0.773 25974 477 1 4 . 1 1 8 8 THR N N 8 113.493 113.493 113.602 -0.109 25974 478 1 4 . 1 1 8 8 THR HA H 8 4.704 4.704 4.771 -0.068 25974 479 1 4 . 1 1 8 8 THR H H 8 8.716 8.716 8.011 0.705 25974 480 1 4 . 1 1 9 9 LYS N N 9 127.640 127.640 126.281 1.359 25974 481 1 4 . 1 1 9 9 LYS HA H 9 3.493 3.493 4.084 -0.591 25974 482 1 4 . 1 1 9 9 LYS H H 9 8.947 8.947 8.350 0.597 25974 483 1 4 . 1 1 10 10 SER N N 10 116.726 116.726 116.982 -0.256 25974 484 1 4 . 1 1 10 10 SER HA H 10 4.006 4.006 4.219 -0.213 25974 485 1 4 . 1 1 10 10 SER H H 10 9.484 9.484 8.001 1.483 25974 486 1 4 . 1 1 11 11 LYS N N 11 116.973 116.973 117.740 -0.767 25974 487 1 4 . 1 1 11 11 LYS HA H 11 4.153 4.153 4.472 -0.319 25974 488 1 4 . 1 1 11 11 LYS H H 11 7.051 7.051 8.168 -1.117 25974 489 1 4 . 1 1 12 12 ASN N N 12 120.652 120.652 118.905 1.747 25974 490 1 4 . 1 1 12 12 ASN HA H 12 4.566 4.566 4.380 0.186 25974 491 1 4 . 1 1 12 12 ASN H H 12 7.590 7.590 8.209 -0.619 25974 492 1 4 . 1 1 13 13 GLU N N 13 115.322 115.322 123.120 -7.798 25974 493 1 4 . 1 1 13 13 GLU HA H 13 4.896 4.896 4.471 0.425 25974 494 1 4 . 1 1 13 13 GLU H H 13 7.290 7.290 8.294 -1.004 25974 495 1 4 . 1 1 14 14 CYS N N 14 123.345 123.345 126.251 -2.906 25974 496 1 4 . 1 1 14 14 CYS HA H 14 4.639 4.639 4.602 0.037 25974 497 1 4 . 1 1 14 14 CYS H H 14 9.588 9.588 8.690 0.898 25974 498 1 4 . 1 1 15 15 LYS N N 15 110.722 110.722 131.726 -21.004 25974 499 1 4 . 1 1 15 15 LYS HA H 15 4.946 4.946 5.375 -0.429 25974 500 1 4 . 1 1 15 15 LYS H H 15 8.636 8.636 8.926 -0.290 25974 501 1 4 . 1 1 16 16 TYR N N 16 126.630 126.630 123.683 2.947 25974 502 1 4 . 1 1 16 16 TYR HA H 16 4.899 4.899 4.975 -0.076 25974 503 1 4 . 1 1 16 16 TYR H H 16 8.998 8.998 9.417 -0.419 25974 504 1 4 . 1 1 17 17 LYS N N 17 120.977 120.977 119.092 1.885 25974 505 1 4 . 1 1 17 17 LYS HA H 17 4.406 4.406 4.561 -0.155 25974 506 1 4 . 1 1 17 17 LYS H H 17 8.421 8.421 8.197 0.224 25974 507 1 4 . 1 1 18 18 ASN N N 18 122.224 122.224 120.846 1.378 25974 508 1 4 . 1 1 18 18 ASN HA H 18 4.102 4.102 4.314 -0.212 25974 509 1 4 . 1 1 18 18 ASN H H 18 7.735 7.735 7.954 -0.219 25974 510 1 4 . 1 1 19 19 ASP N N 19 117.436 117.436 120.178 -2.742 25974 511 1 4 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.613 -0.229 25974 512 1 4 . 1 1 19 19 ASP H H 19 8.238 8.238 7.877 0.361 25974 513 1 4 . 1 1 20 20 ALA N N 20 120.895 120.895 119.572 1.323 25974 514 1 4 . 1 1 20 20 ALA HA H 20 4.409 4.409 4.060 0.349 25974 515 1 4 . 1 1 20 20 ALA H H 20 7.419 7.419 7.874 -0.455 25974 516 1 4 . 1 1 21 21 GLY N N 21 127.668 127.668 103.164 24.504 25974 517 1 4 . 1 1 21 21 GLY H H 21 8.170 8.170 7.963 0.207 25974 518 1 4 . 1 1 22 22 LYS N N 22 120.354 120.354 123.019 -2.665 25974 519 1 4 . 1 1 22 22 LYS HA H 22 4.309 4.309 4.114 0.195 25974 520 1 4 . 1 1 22 22 LYS H H 22 7.682 7.682 7.866 -0.184 25974 521 1 4 . 1 1 23 23 ASP N N 23 126.398 126.398 124.215 2.183 25974 522 1 4 . 1 1 23 23 ASP HA H 23 4.256 4.256 4.507 -0.251 25974 523 1 4 . 1 1 23 23 ASP H H 23 8.610 8.610 8.306 0.304 25974 524 1 4 . 1 1 24 24 THR N N 24 122.770 122.770 118.772 3.998 25974 525 1 4 . 1 1 24 24 THR HA H 24 4.012 4.012 4.186 -0.174 25974 526 1 4 . 1 1 24 24 THR H H 24 8.782 8.782 8.239 0.543 25974 527 1 4 . 1 1 25 25 PHE N N 25 122.423 122.423 125.092 -2.669 25974 528 1 4 . 1 1 25 25 PHE HA H 25 5.404 5.404 5.243 0.161 25974 529 1 4 . 1 1 25 25 PHE H H 25 8.328 8.328 8.321 0.007 25974 530 1 4 . 1 1 26 26 ILE N N 26 123.029 123.029 124.368 -1.339 25974 531 1 4 . 1 1 26 26 ILE HA H 26 4.614 4.614 4.566 0.048 25974 532 1 4 . 1 1 26 26 ILE H H 26 9.138 9.138 9.187 -0.049 25974 533 1 4 . 1 1 27 27 LYS N N 27 127.077 127.077 127.767 -0.690 25974 534 1 4 . 1 1 27 27 LYS HA H 27 4.163 4.163 4.190 -0.027 25974 535 1 4 . 1 1 27 27 LYS H H 27 8.335 8.335 8.423 -0.088 25974 536 1 4 . 1 1 28 28 CYS N N 28 120.248 120.248 121.809 -1.561 25974 537 1 4 . 1 1 28 28 CYS HA H 28 4.659 4.659 4.798 -0.140 25974 538 1 4 . 1 1 28 28 CYS H H 28 8.618 8.618 8.688 -0.070 25974 539 1 4 . 1 1 29 29 PRO HA H 29 4.426 4.426 4.336 0.090 25974 540 1 4 . 1 1 30 30 LYS N N 30 115.643 115.643 118.687 -3.044 25974 541 1 4 . 1 1 30 30 LYS HA H 30 3.949 3.949 3.769 0.180 25974 542 1 4 . 1 1 30 30 LYS H H 30 8.002 8.002 8.143 -0.141 25974 543 1 4 . 1 1 31 31 PHE N N 31 116.470 116.470 116.195 0.275 25974 544 1 4 . 1 1 31 31 PHE HA H 31 4.504 4.504 4.610 -0.106 25974 545 1 4 . 1 1 31 31 PHE H H 31 6.308 6.308 7.217 -0.909 25974 546 1 4 . 1 1 32 32 ASP HA H 32 4.144 4.144 4.745 -0.601 25974 547 1 4 . 1 1 33 33 ASN N N 33 113.110 113.110 115.719 -2.609 25974 548 1 4 . 1 1 33 33 ASN HA H 33 4.673 4.673 4.880 -0.207 25974 549 1 4 . 1 1 33 33 ASN H H 33 8.564 8.564 8.297 0.267 25974 550 1 4 . 1 1 34 34 LYS N N 34 120.347 120.347 118.037 2.310 25974 551 1 4 . 1 1 34 34 LYS HA H 34 4.984 4.984 4.522 0.462 25974 552 1 4 . 1 1 34 34 LYS H H 34 7.914 7.914 8.047 -0.133 25974 553 1 4 . 1 1 35 35 LYS N N 35 117.863 117.863 119.385 -1.522 25974 554 1 4 . 1 1 35 35 LYS HA H 35 4.608 4.608 4.195 0.413 25974 555 1 4 . 1 1 35 35 LYS H H 35 7.005 7.005 7.546 -0.541 25974 556 1 4 . 1 1 36 36 CYS N N 36 118.915 118.915 120.431 -1.516 25974 557 1 4 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.374 0.483 25974 558 1 4 . 1 1 36 36 CYS H H 36 8.817 8.817 8.477 0.340 25974 559 1 4 . 1 1 37 37 THR N N 37 121.008 121.008 116.155 4.853 25974 560 1 4 . 1 1 37 37 THR HA H 37 4.300 4.300 4.441 -0.141 25974 561 1 4 . 1 1 37 37 THR H H 37 9.980 9.980 8.294 1.686 25974 562 1 4 . 1 1 38 38 LYS N N 38 122.326 122.326 120.687 1.639 25974 563 1 4 . 1 1 38 38 LYS HA H 38 4.137 4.137 4.503 -0.366 25974 564 1 4 . 1 1 38 38 LYS H H 38 7.287 7.287 7.599 -0.312 25974 565 1 4 . 1 1 39 39 ASP N N 39 125.238 125.238 121.664 3.574 25974 566 1 4 . 1 1 39 39 ASP HA H 39 4.578 4.578 4.603 -0.025 25974 567 1 4 . 1 1 39 39 ASP H H 39 8.817 8.817 8.523 0.294 25974 568 1 4 . 1 1 40 40 ASN N N 40 114.713 114.713 120.906 -6.193 25974 569 1 4 . 1 1 40 40 ASN HA H 40 4.272 4.272 4.259 0.013 25974 570 1 4 . 1 1 40 40 ASN H H 40 9.532 9.532 8.813 0.719 25974 571 1 4 . 1 1 41 41 ASN N N 41 120.080 120.080 116.560 3.520 25974 572 1 4 . 1 1 41 41 ASN HA H 41 4.717 4.717 4.630 0.087 25974 573 1 4 . 1 1 41 41 ASN H H 41 7.742 7.742 7.909 -0.167 25974 574 1 4 . 1 1 42 42 LYS N N 42 118.956 118.956 121.090 -2.134 25974 575 1 4 . 1 1 42 42 LYS HA H 42 4.346 4.346 4.529 -0.183 25974 576 1 4 . 1 1 42 42 LYS H H 42 8.397 8.397 8.349 0.048 25974 577 1 4 . 1 1 43 43 CYS N N 43 112.235 112.235 121.988 -9.753 25974 578 1 4 . 1 1 43 43 CYS HA H 43 5.335 5.335 5.371 -0.036 25974 579 1 4 . 1 1 43 43 CYS H H 43 7.397 7.397 8.633 -1.236 25974 580 1 4 . 1 1 44 44 THR N N 44 112.586 112.586 117.939 -5.353 25974 581 1 4 . 1 1 44 44 THR HA H 44 5.221 5.221 4.878 0.343 25974 582 1 4 . 1 1 44 44 THR H H 44 8.674 8.674 8.342 0.332 25974 583 1 4 . 1 1 45 45 VAL N N 45 121.814 121.814 124.190 -2.376 25974 584 1 4 . 1 1 45 45 VAL HA H 45 4.430 4.430 4.030 0.400 25974 585 1 4 . 1 1 45 45 VAL H H 45 8.555 8.555 8.422 0.133 25974 586 1 4 . 1 1 46 46 ASP N N 46 126.626 126.626 126.972 -0.346 25974 587 1 4 . 1 1 46 46 ASP HA H 46 5.334 5.334 5.020 0.314 25974 588 1 4 . 1 1 46 46 ASP H H 46 8.519 8.519 8.248 0.271 25974 589 1 4 . 1 1 47 47 THR N N 47 114.334 114.334 119.346 -5.012 25974 590 1 4 . 1 1 47 47 THR HA H 47 4.187 4.187 4.561 -0.374 25974 591 1 4 . 1 1 47 47 THR H H 47 9.116 9.116 8.866 0.250 25974 592 1 4 . 1 1 48 48 TYR N N 48 124.010 124.010 120.557 3.453 25974 593 1 4 . 1 1 48 48 TYR HA H 48 4.374 4.374 4.658 -0.284 25974 594 1 4 . 1 1 48 48 TYR H H 48 8.803 8.803 8.230 0.573 25974 595 1 4 . 1 1 49 49 ASN N N 49 113.668 113.668 114.753 -1.085 25974 596 1 4 . 1 1 49 49 ASN HA H 49 4.475 4.475 4.601 -0.126 25974 597 1 4 . 1 1 49 49 ASN H H 49 7.433 7.433 7.957 -0.524 25974 598 1 4 . 1 1 50 50 ASN N N 50 117.403 117.403 119.332 -1.929 25974 599 1 4 . 1 1 50 50 ASN HA H 50 4.199 4.199 4.314 -0.115 25974 600 1 4 . 1 1 50 50 ASN H H 50 7.863 7.863 8.196 -0.333 25974 601 1 4 . 1 1 51 51 ALA N N 51 121.102 121.102 124.207 -3.105 25974 602 1 4 . 1 1 51 51 ALA HA H 51 4.437 4.437 4.516 -0.079 25974 603 1 4 . 1 1 51 51 ALA H H 51 7.853 7.853 7.643 0.210 25974 604 1 4 . 1 1 52 52 VAL N N 52 126.326 126.326 121.531 4.795 25974 605 1 4 . 1 1 52 52 VAL HA H 52 4.875 4.875 4.794 0.081 25974 606 1 4 . 1 1 52 52 VAL H H 52 8.297 8.297 8.232 0.065 25974 607 1 4 . 1 1 53 53 ASP N N 53 125.100 125.100 127.302 -2.202 25974 608 1 4 . 1 1 53 53 ASP HA H 53 4.795 4.795 4.995 -0.200 25974 609 1 4 . 1 1 53 53 ASP H H 53 8.519 8.519 8.484 0.035 25974 610 1 4 . 1 1 54 54 CYS N N 54 126.377 126.377 118.110 8.267 25974 611 1 4 . 1 1 54 54 CYS HA H 54 4.678 4.678 4.431 0.247 25974 612 1 4 . 1 1 54 54 CYS H H 54 8.609 8.609 8.044 0.565 25974 613 1 5 . 1 1 2 2 LYS N N 2 119.918 119.918 117.787 2.131 25974 614 1 5 . 1 1 2 2 LYS HA H 2 5.230 5.230 4.194 1.036 25974 615 1 5 . 1 1 2 2 LYS H H 2 8.167 8.167 7.547 0.620 25974 616 1 5 . 1 1 3 3 TYR N N 3 122.493 122.493 117.807 4.686 25974 617 1 5 . 1 1 3 3 TYR HA H 3 4.809 4.809 4.843 -0.034 25974 618 1 5 . 1 1 3 3 TYR H H 3 8.939 8.939 8.972 -0.033 25974 619 1 5 . 1 1 4 4 THR N N 4 117.297 117.297 116.401 0.896 25974 620 1 5 . 1 1 4 4 THR HA H 4 5.042 5.042 4.618 0.424 25974 621 1 5 . 1 1 4 4 THR H H 4 8.885 8.885 8.580 0.305 25974 622 1 5 . 1 1 5 5 GLY N N 5 115.452 115.452 112.405 3.047 25974 623 1 5 . 1 1 5 5 GLY H H 5 9.135 9.135 9.137 -0.002 25974 624 1 5 . 1 1 6 6 LYS N N 6 121.001 121.001 117.440 3.561 25974 625 1 5 . 1 1 6 6 LYS HA H 6 5.378 5.378 5.268 0.110 25974 626 1 5 . 1 1 6 6 LYS H H 6 8.422 8.422 8.037 0.385 25974 627 1 5 . 1 1 7 7 CYS N N 7 122.647 122.647 117.145 5.502 25974 628 1 5 . 1 1 7 7 CYS HA H 7 6.297 6.297 5.199 1.098 25974 629 1 5 . 1 1 7 7 CYS H H 7 9.767 9.767 8.967 0.800 25974 630 1 5 . 1 1 8 8 THR N N 8 113.493 113.493 114.977 -1.484 25974 631 1 5 . 1 1 8 8 THR HA H 8 4.704 4.704 4.796 -0.092 25974 632 1 5 . 1 1 8 8 THR H H 8 8.716 8.716 8.238 0.478 25974 633 1 5 . 1 1 9 9 LYS N N 9 127.640 127.640 125.941 1.699 25974 634 1 5 . 1 1 9 9 LYS HA H 9 3.493 3.493 4.067 -0.574 25974 635 1 5 . 1 1 9 9 LYS H H 9 8.947 8.947 8.586 0.361 25974 636 1 5 . 1 1 10 10 SER N N 10 116.726 116.726 116.702 0.024 25974 637 1 5 . 1 1 10 10 SER HA H 10 4.006 4.006 4.259 -0.253 25974 638 1 5 . 1 1 10 10 SER H H 10 9.484 9.484 8.300 1.183 25974 639 1 5 . 1 1 11 11 LYS N N 11 116.973 116.973 117.535 -0.562 25974 640 1 5 . 1 1 11 11 LYS HA H 11 4.153 4.153 4.501 -0.348 25974 641 1 5 . 1 1 11 11 LYS H H 11 7.051 7.051 8.319 -1.268 25974 642 1 5 . 1 1 12 12 ASN N N 12 120.652 120.652 118.560 2.092 25974 643 1 5 . 1 1 12 12 ASN HA H 12 4.566 4.566 4.543 0.023 25974 644 1 5 . 1 1 12 12 ASN H H 12 7.590 7.590 8.138 -0.548 25974 645 1 5 . 1 1 13 13 GLU N N 13 115.322 115.322 123.325 -8.003 25974 646 1 5 . 1 1 13 13 GLU HA H 13 4.896 4.896 4.377 0.519 25974 647 1 5 . 1 1 13 13 GLU H H 13 7.290 7.290 8.288 -0.998 25974 648 1 5 . 1 1 14 14 CYS N N 14 123.345 123.345 125.365 -2.020 25974 649 1 5 . 1 1 14 14 CYS HA H 14 4.639 4.639 4.670 -0.031 25974 650 1 5 . 1 1 14 14 CYS H H 14 9.588 9.588 8.708 0.880 25974 651 1 5 . 1 1 15 15 LYS N N 15 110.722 110.722 128.764 -18.042 25974 652 1 5 . 1 1 15 15 LYS HA H 15 4.946 4.946 4.723 0.223 25974 653 1 5 . 1 1 15 15 LYS H H 15 8.636 8.636 8.179 0.457 25974 654 1 5 . 1 1 16 16 TYR N N 16 126.630 126.630 121.345 5.285 25974 655 1 5 . 1 1 16 16 TYR HA H 16 4.899 4.899 4.804 0.095 25974 656 1 5 . 1 1 16 16 TYR H H 16 8.998 8.998 8.607 0.391 25974 657 1 5 . 1 1 17 17 LYS N N 17 120.977 120.977 120.716 0.261 25974 658 1 5 . 1 1 17 17 LYS HA H 17 4.406 4.406 4.705 -0.299 25974 659 1 5 . 1 1 17 17 LYS H H 17 8.421 8.421 8.219 0.202 25974 660 1 5 . 1 1 18 18 ASN N N 18 122.224 122.224 120.351 1.873 25974 661 1 5 . 1 1 18 18 ASN HA H 18 4.102 4.102 4.628 -0.526 25974 662 1 5 . 1 1 18 18 ASN H H 18 7.735 7.735 8.040 -0.305 25974 663 1 5 . 1 1 19 19 ASP N N 19 117.436 117.436 121.400 -3.964 25974 664 1 5 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.250 0.134 25974 665 1 5 . 1 1 19 19 ASP H H 19 8.238 8.238 9.015 -0.777 25974 666 1 5 . 1 1 20 20 ALA N N 20 120.895 120.895 121.736 -0.841 25974 667 1 5 . 1 1 20 20 ALA HA H 20 4.409 4.409 4.505 -0.096 25974 668 1 5 . 1 1 20 20 ALA H H 20 7.419 7.419 8.028 -0.609 25974 669 1 5 . 1 1 21 21 GLY N N 21 127.668 127.668 107.563 20.105 25974 670 1 5 . 1 1 21 21 GLY H H 21 8.170 8.170 7.766 0.404 25974 671 1 5 . 1 1 22 22 LYS N N 22 120.354 120.354 122.043 -1.689 25974 672 1 5 . 1 1 22 22 LYS HA H 22 4.309 4.309 4.215 0.094 25974 673 1 5 . 1 1 22 22 LYS H H 22 7.682 7.682 7.809 -0.127 25974 674 1 5 . 1 1 23 23 ASP N N 23 126.398 126.398 124.137 2.261 25974 675 1 5 . 1 1 23 23 ASP HA H 23 4.256 4.256 4.690 -0.434 25974 676 1 5 . 1 1 23 23 ASP H H 23 8.610 8.610 8.392 0.218 25974 677 1 5 . 1 1 24 24 THR N N 24 122.770 122.770 119.514 3.256 25974 678 1 5 . 1 1 24 24 THR HA H 24 4.012 4.012 4.599 -0.587 25974 679 1 5 . 1 1 24 24 THR H H 24 8.782 8.782 8.034 0.748 25974 680 1 5 . 1 1 25 25 PHE N N 25 122.423 122.423 126.004 -3.581 25974 681 1 5 . 1 1 25 25 PHE HA H 25 5.404 5.404 4.762 0.642 25974 682 1 5 . 1 1 25 25 PHE H H 25 8.328 8.328 8.877 -0.549 25974 683 1 5 . 1 1 26 26 ILE N N 26 123.029 123.029 123.381 -0.352 25974 684 1 5 . 1 1 26 26 ILE HA H 26 4.614 4.614 4.573 0.041 25974 685 1 5 . 1 1 26 26 ILE H H 26 9.138 9.138 8.381 0.757 25974 686 1 5 . 1 1 27 27 LYS N N 27 127.077 127.077 126.528 0.549 25974 687 1 5 . 1 1 27 27 LYS HA H 27 4.163 4.163 4.462 -0.299 25974 688 1 5 . 1 1 27 27 LYS H H 27 8.335 8.335 8.148 0.187 25974 689 1 5 . 1 1 28 28 CYS N N 28 120.248 120.248 123.650 -3.402 25974 690 1 5 . 1 1 28 28 CYS HA H 28 4.659 4.659 4.452 0.207 25974 691 1 5 . 1 1 28 28 CYS H H 28 8.618 8.618 8.800 -0.182 25974 692 1 5 . 1 1 29 29 PRO HA H 29 4.426 4.426 4.306 0.120 25974 693 1 5 . 1 1 30 30 LYS N N 30 115.643 115.643 119.090 -3.447 25974 694 1 5 . 1 1 30 30 LYS HA H 30 3.949 3.949 3.853 0.096 25974 695 1 5 . 1 1 30 30 LYS H H 30 8.002 8.002 8.235 -0.233 25974 696 1 5 . 1 1 31 31 PHE N N 31 116.470 116.470 116.284 0.186 25974 697 1 5 . 1 1 31 31 PHE HA H 31 4.504 4.504 4.538 -0.034 25974 698 1 5 . 1 1 31 31 PHE H H 31 6.308 6.308 7.955 -1.647 25974 699 1 5 . 1 1 32 32 ASP HA H 32 4.144 4.144 4.665 -0.521 25974 700 1 5 . 1 1 33 33 ASN N N 33 113.110 113.110 116.575 -3.465 25974 701 1 5 . 1 1 33 33 ASN HA H 33 4.673 4.673 4.806 -0.133 25974 702 1 5 . 1 1 33 33 ASN H H 33 8.564 8.564 8.286 0.278 25974 703 1 5 . 1 1 34 34 LYS N N 34 120.347 120.347 119.136 1.211 25974 704 1 5 . 1 1 34 34 LYS HA H 34 4.984 4.984 4.400 0.584 25974 705 1 5 . 1 1 34 34 LYS H H 34 7.914 7.914 8.329 -0.415 25974 706 1 5 . 1 1 35 35 LYS N N 35 117.863 117.863 118.152 -0.289 25974 707 1 5 . 1 1 35 35 LYS HA H 35 4.608 4.608 4.387 0.221 25974 708 1 5 . 1 1 35 35 LYS H H 35 7.005 7.005 7.498 -0.493 25974 709 1 5 . 1 1 36 36 CYS N N 36 118.915 118.915 119.485 -0.570 25974 710 1 5 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.430 0.427 25974 711 1 5 . 1 1 36 36 CYS H H 36 8.817 8.817 8.658 0.159 25974 712 1 5 . 1 1 37 37 THR N N 37 121.008 121.008 116.766 4.242 25974 713 1 5 . 1 1 37 37 THR HA H 37 4.300 4.300 4.486 -0.186 25974 714 1 5 . 1 1 37 37 THR H H 37 9.980 9.980 8.455 1.525 25974 715 1 5 . 1 1 38 38 LYS N N 38 122.326 122.326 121.067 1.259 25974 716 1 5 . 1 1 38 38 LYS HA H 38 4.137 4.137 4.470 -0.333 25974 717 1 5 . 1 1 38 38 LYS H H 38 7.287 7.287 7.683 -0.396 25974 718 1 5 . 1 1 39 39 ASP N N 39 125.238 125.238 120.477 4.761 25974 719 1 5 . 1 1 39 39 ASP HA H 39 4.578 4.578 4.507 0.071 25974 720 1 5 . 1 1 39 39 ASP H H 39 8.817 8.817 8.404 0.413 25974 721 1 5 . 1 1 40 40 ASN N N 40 114.713 114.713 122.167 -7.454 25974 722 1 5 . 1 1 40 40 ASN HA H 40 4.272 4.272 4.255 0.017 25974 723 1 5 . 1 1 40 40 ASN H H 40 9.532 9.532 8.868 0.664 25974 724 1 5 . 1 1 41 41 ASN N N 41 120.080 120.080 115.125 4.955 25974 725 1 5 . 1 1 41 41 ASN HA H 41 4.717 4.717 4.616 0.101 25974 726 1 5 . 1 1 41 41 ASN H H 41 7.742 7.742 7.967 -0.225 25974 727 1 5 . 1 1 42 42 LYS N N 42 118.956 118.956 121.227 -2.271 25974 728 1 5 . 1 1 42 42 LYS HA H 42 4.346 4.346 4.479 -0.133 25974 729 1 5 . 1 1 42 42 LYS H H 42 8.397 8.397 8.375 0.022 25974 730 1 5 . 1 1 43 43 CYS N N 43 112.235 112.235 120.480 -8.245 25974 731 1 5 . 1 1 43 43 CYS HA H 43 5.335 5.335 5.401 -0.066 25974 732 1 5 . 1 1 43 43 CYS H H 43 7.397 7.397 8.498 -1.101 25974 733 1 5 . 1 1 44 44 THR N N 44 112.586 112.586 116.068 -3.482 25974 734 1 5 . 1 1 44 44 THR HA H 44 5.221 5.221 4.967 0.254 25974 735 1 5 . 1 1 44 44 THR H H 44 8.674 8.674 8.407 0.267 25974 736 1 5 . 1 1 45 45 VAL N N 45 121.814 121.814 125.706 -3.892 25974 737 1 5 . 1 1 45 45 VAL HA H 45 4.430 4.430 3.965 0.465 25974 738 1 5 . 1 1 45 45 VAL H H 45 8.555 8.555 8.481 0.074 25974 739 1 5 . 1 1 46 46 ASP N N 46 126.626 126.626 127.013 -0.387 25974 740 1 5 . 1 1 46 46 ASP HA H 46 5.334 5.334 4.880 0.454 25974 741 1 5 . 1 1 46 46 ASP H H 46 8.519 8.519 7.998 0.521 25974 742 1 5 . 1 1 47 47 THR N N 47 114.334 114.334 120.909 -6.575 25974 743 1 5 . 1 1 47 47 THR HA H 47 4.187 4.187 4.523 -0.336 25974 744 1 5 . 1 1 47 47 THR H H 47 9.116 9.116 8.737 0.379 25974 745 1 5 . 1 1 48 48 TYR N N 48 124.010 124.010 122.418 1.592 25974 746 1 5 . 1 1 48 48 TYR HA H 48 4.374 4.374 4.724 -0.350 25974 747 1 5 . 1 1 48 48 TYR H H 48 8.803 8.803 7.769 1.034 25974 748 1 5 . 1 1 49 49 ASN N N 49 113.668 113.668 115.619 -1.951 25974 749 1 5 . 1 1 49 49 ASN HA H 49 4.475 4.475 4.539 -0.064 25974 750 1 5 . 1 1 49 49 ASN H H 49 7.433 7.433 7.978 -0.545 25974 751 1 5 . 1 1 50 50 ASN N N 50 117.403 117.403 120.062 -2.659 25974 752 1 5 . 1 1 50 50 ASN HA H 50 4.199 4.199 4.173 0.026 25974 753 1 5 . 1 1 50 50 ASN H H 50 7.863 7.863 8.197 -0.334 25974 754 1 5 . 1 1 51 51 ALA N N 51 121.102 121.102 124.233 -3.131 25974 755 1 5 . 1 1 51 51 ALA HA H 51 4.437 4.437 4.526 -0.089 25974 756 1 5 . 1 1 51 51 ALA H H 51 7.853 7.853 7.595 0.258 25974 757 1 5 . 1 1 52 52 VAL N N 52 126.326 126.326 122.915 3.411 25974 758 1 5 . 1 1 52 52 VAL HA H 52 4.875 4.875 4.550 0.325 25974 759 1 5 . 1 1 52 52 VAL H H 52 8.297 8.297 8.176 0.121 25974 760 1 5 . 1 1 53 53 ASP N N 53 125.100 125.100 130.382 -5.282 25974 761 1 5 . 1 1 53 53 ASP HA H 53 4.795 4.795 4.737 0.058 25974 762 1 5 . 1 1 53 53 ASP H H 53 8.519 8.519 8.407 0.112 25974 763 1 5 . 1 1 54 54 CYS N N 54 126.377 126.377 118.161 8.216 25974 764 1 5 . 1 1 54 54 CYS HA H 54 4.678 4.678 4.482 0.196 25974 765 1 5 . 1 1 54 54 CYS H H 54 8.609 8.609 8.094 0.515 25974 766 1 6 . 1 1 2 2 LYS N N 2 119.918 119.918 120.242 -0.324 25974 767 1 6 . 1 1 2 2 LYS HA H 2 5.230 5.230 3.897 1.333 25974 768 1 6 . 1 1 2 2 LYS H H 2 8.167 8.167 8.142 0.025 25974 769 1 6 . 1 1 3 3 TYR N N 3 122.493 122.493 123.127 -0.634 25974 770 1 6 . 1 1 3 3 TYR HA H 3 4.809 4.809 4.629 0.180 25974 771 1 6 . 1 1 3 3 TYR H H 3 8.939 8.939 8.297 0.642 25974 772 1 6 . 1 1 4 4 THR N N 4 117.297 117.297 119.911 -2.614 25974 773 1 6 . 1 1 4 4 THR HA H 4 5.042 5.042 4.520 0.522 25974 774 1 6 . 1 1 4 4 THR H H 4 8.885 8.885 8.638 0.247 25974 775 1 6 . 1 1 5 5 GLY N N 5 115.452 115.452 112.844 2.608 25974 776 1 6 . 1 1 5 5 GLY H H 5 9.135 9.135 8.990 0.145 25974 777 1 6 . 1 1 6 6 LYS N N 6 121.001 121.001 116.874 4.127 25974 778 1 6 . 1 1 6 6 LYS HA H 6 5.378 5.378 5.168 0.210 25974 779 1 6 . 1 1 6 6 LYS H H 6 8.422 8.422 7.929 0.493 25974 780 1 6 . 1 1 7 7 CYS N N 7 122.647 122.647 116.464 6.183 25974 781 1 6 . 1 1 7 7 CYS HA H 7 6.297 6.297 5.347 0.950 25974 782 1 6 . 1 1 7 7 CYS H H 7 9.767 9.767 8.769 0.998 25974 783 1 6 . 1 1 8 8 THR N N 8 113.493 113.493 114.518 -1.025 25974 784 1 6 . 1 1 8 8 THR HA H 8 4.704 4.704 4.812 -0.108 25974 785 1 6 . 1 1 8 8 THR H H 8 8.716 8.716 8.310 0.406 25974 786 1 6 . 1 1 9 9 LYS N N 9 127.640 127.640 126.730 0.910 25974 787 1 6 . 1 1 9 9 LYS HA H 9 3.493 3.493 4.052 -0.559 25974 788 1 6 . 1 1 9 9 LYS H H 9 8.947 8.947 8.649 0.298 25974 789 1 6 . 1 1 10 10 SER N N 10 116.726 116.726 114.879 1.847 25974 790 1 6 . 1 1 10 10 SER HA H 10 4.006 4.006 4.255 -0.249 25974 791 1 6 . 1 1 10 10 SER H H 10 9.484 9.484 8.189 1.295 25974 792 1 6 . 1 1 11 11 LYS N N 11 116.973 116.973 116.658 0.315 25974 793 1 6 . 1 1 11 11 LYS HA H 11 4.153 4.153 4.490 -0.337 25974 794 1 6 . 1 1 11 11 LYS H H 11 7.051 7.051 7.673 -0.622 25974 795 1 6 . 1 1 12 12 ASN N N 12 120.652 120.652 118.728 1.924 25974 796 1 6 . 1 1 12 12 ASN HA H 12 4.566 4.566 4.504 0.062 25974 797 1 6 . 1 1 12 12 ASN H H 12 7.590 7.590 8.397 -0.807 25974 798 1 6 . 1 1 13 13 GLU N N 13 115.322 115.322 124.255 -8.933 25974 799 1 6 . 1 1 13 13 GLU HA H 13 4.896 4.896 4.530 0.366 25974 800 1 6 . 1 1 13 13 GLU H H 13 7.290 7.290 8.425 -1.135 25974 801 1 6 . 1 1 14 14 CYS N N 14 123.345 123.345 125.531 -2.186 25974 802 1 6 . 1 1 14 14 CYS HA H 14 4.639 4.639 4.584 0.055 25974 803 1 6 . 1 1 14 14 CYS H H 14 9.588 9.588 8.738 0.850 25974 804 1 6 . 1 1 15 15 LYS N N 15 110.722 110.722 130.355 -19.633 25974 805 1 6 . 1 1 15 15 LYS HA H 15 4.946 4.946 4.763 0.183 25974 806 1 6 . 1 1 15 15 LYS H H 15 8.636 8.636 8.925 -0.289 25974 807 1 6 . 1 1 16 16 TYR N N 16 126.630 126.630 120.612 6.018 25974 808 1 6 . 1 1 16 16 TYR HA H 16 4.899 4.899 4.808 0.091 25974 809 1 6 . 1 1 16 16 TYR H H 16 8.998 8.998 8.532 0.466 25974 810 1 6 . 1 1 17 17 LYS N N 17 120.977 120.977 119.631 1.346 25974 811 1 6 . 1 1 17 17 LYS HA H 17 4.406 4.406 4.504 -0.098 25974 812 1 6 . 1 1 17 17 LYS H H 17 8.421 8.421 8.104 0.317 25974 813 1 6 . 1 1 18 18 ASN N N 18 122.224 122.224 120.996 1.228 25974 814 1 6 . 1 1 18 18 ASN HA H 18 4.102 4.102 4.369 -0.267 25974 815 1 6 . 1 1 18 18 ASN H H 18 7.735 7.735 8.439 -0.704 25974 816 1 6 . 1 1 19 19 ASP N N 19 117.436 117.436 121.901 -4.465 25974 817 1 6 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.452 -0.068 25974 818 1 6 . 1 1 19 19 ASP H H 19 8.238 8.238 8.493 -0.255 25974 819 1 6 . 1 1 20 20 ALA N N 20 120.895 120.895 119.036 1.859 25974 820 1 6 . 1 1 20 20 ALA HA H 20 4.409 4.409 4.393 0.016 25974 821 1 6 . 1 1 20 20 ALA H H 20 7.419 7.419 7.874 -0.455 25974 822 1 6 . 1 1 21 21 GLY N N 21 127.668 127.668 106.522 21.146 25974 823 1 6 . 1 1 21 21 GLY H H 21 8.170 8.170 8.071 0.099 25974 824 1 6 . 1 1 22 22 LYS N N 22 120.354 120.354 122.811 -2.457 25974 825 1 6 . 1 1 22 22 LYS HA H 22 4.309 4.309 4.078 0.231 25974 826 1 6 . 1 1 22 22 LYS H H 22 7.682 7.682 7.884 -0.202 25974 827 1 6 . 1 1 23 23 ASP N N 23 126.398 126.398 123.916 2.482 25974 828 1 6 . 1 1 23 23 ASP HA H 23 4.256 4.256 4.276 -0.020 25974 829 1 6 . 1 1 23 23 ASP H H 23 8.610 8.610 8.219 0.391 25974 830 1 6 . 1 1 24 24 THR N N 24 122.770 122.770 119.722 3.048 25974 831 1 6 . 1 1 24 24 THR HA H 24 4.012 4.012 4.551 -0.539 25974 832 1 6 . 1 1 24 24 THR H H 24 8.782 8.782 8.110 0.672 25974 833 1 6 . 1 1 25 25 PHE N N 25 122.423 122.423 126.749 -4.326 25974 834 1 6 . 1 1 25 25 PHE HA H 25 5.404 5.404 5.008 0.396 25974 835 1 6 . 1 1 25 25 PHE H H 25 8.328 8.328 8.904 -0.576 25974 836 1 6 . 1 1 26 26 ILE N N 26 123.029 123.029 125.085 -2.056 25974 837 1 6 . 1 1 26 26 ILE HA H 26 4.614 4.614 4.557 0.057 25974 838 1 6 . 1 1 26 26 ILE H H 26 9.138 9.138 9.252 -0.114 25974 839 1 6 . 1 1 27 27 LYS N N 27 127.077 127.077 127.966 -0.889 25974 840 1 6 . 1 1 27 27 LYS HA H 27 4.163 4.163 4.278 -0.115 25974 841 1 6 . 1 1 27 27 LYS H H 27 8.335 8.335 8.376 -0.041 25974 842 1 6 . 1 1 28 28 CYS N N 28 120.248 120.248 121.683 -1.435 25974 843 1 6 . 1 1 28 28 CYS HA H 28 4.659 4.659 4.770 -0.111 25974 844 1 6 . 1 1 28 28 CYS H H 28 8.618 8.618 8.533 0.085 25974 845 1 6 . 1 1 29 29 PRO HA H 29 4.426 4.426 4.338 0.088 25974 846 1 6 . 1 1 30 30 LYS N N 30 115.643 115.643 118.976 -3.333 25974 847 1 6 . 1 1 30 30 LYS HA H 30 3.949 3.949 3.798 0.151 25974 848 1 6 . 1 1 30 30 LYS H H 30 8.002 8.002 8.067 -0.065 25974 849 1 6 . 1 1 31 31 PHE N N 31 116.470 116.470 117.508 -1.038 25974 850 1 6 . 1 1 31 31 PHE HA H 31 4.504 4.504 4.662 -0.158 25974 851 1 6 . 1 1 31 31 PHE H H 31 6.308 6.308 7.170 -0.862 25974 852 1 6 . 1 1 32 32 ASP HA H 32 4.144 4.144 4.543 -0.399 25974 853 1 6 . 1 1 33 33 ASN N N 33 113.110 113.110 116.540 -3.430 25974 854 1 6 . 1 1 33 33 ASN HA H 33 4.673 4.673 4.813 -0.140 25974 855 1 6 . 1 1 33 33 ASN H H 33 8.564 8.564 8.272 0.292 25974 856 1 6 . 1 1 34 34 LYS N N 34 120.347 120.347 118.307 2.040 25974 857 1 6 . 1 1 34 34 LYS HA H 34 4.984 4.984 4.583 0.401 25974 858 1 6 . 1 1 34 34 LYS H H 34 7.914 7.914 8.287 -0.373 25974 859 1 6 . 1 1 35 35 LYS N N 35 117.863 117.863 116.548 1.315 25974 860 1 6 . 1 1 35 35 LYS HA H 35 4.608 4.608 4.398 0.210 25974 861 1 6 . 1 1 35 35 LYS H H 35 7.005 7.005 7.595 -0.590 25974 862 1 6 . 1 1 36 36 CYS N N 36 118.915 118.915 120.465 -1.550 25974 863 1 6 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.344 0.513 25974 864 1 6 . 1 1 36 36 CYS H H 36 8.817 8.817 8.500 0.317 25974 865 1 6 . 1 1 37 37 THR N N 37 121.008 121.008 118.628 2.380 25974 866 1 6 . 1 1 37 37 THR HA H 37 4.300 4.300 4.406 -0.106 25974 867 1 6 . 1 1 37 37 THR H H 37 9.980 9.980 8.311 1.669 25974 868 1 6 . 1 1 38 38 LYS N N 38 122.326 122.326 120.847 1.479 25974 869 1 6 . 1 1 38 38 LYS HA H 38 4.137 4.137 4.412 -0.275 25974 870 1 6 . 1 1 38 38 LYS H H 38 7.287 7.287 7.577 -0.290 25974 871 1 6 . 1 1 39 39 ASP N N 39 125.238 125.238 119.656 5.582 25974 872 1 6 . 1 1 39 39 ASP HA H 39 4.578 4.578 4.634 -0.056 25974 873 1 6 . 1 1 39 39 ASP H H 39 8.817 8.817 8.559 0.258 25974 874 1 6 . 1 1 40 40 ASN N N 40 114.713 114.713 119.556 -4.843 25974 875 1 6 . 1 1 40 40 ASN HA H 40 4.272 4.272 4.331 -0.059 25974 876 1 6 . 1 1 40 40 ASN H H 40 9.532 9.532 8.827 0.705 25974 877 1 6 . 1 1 41 41 ASN N N 41 120.080 120.080 116.355 3.725 25974 878 1 6 . 1 1 41 41 ASN HA H 41 4.717 4.717 4.617 0.100 25974 879 1 6 . 1 1 41 41 ASN H H 41 7.742 7.742 7.840 -0.098 25974 880 1 6 . 1 1 42 42 LYS N N 42 118.956 118.956 121.828 -2.872 25974 881 1 6 . 1 1 42 42 LYS HA H 42 4.346 4.346 4.404 -0.058 25974 882 1 6 . 1 1 42 42 LYS H H 42 8.397 8.397 8.283 0.114 25974 883 1 6 . 1 1 43 43 CYS N N 43 112.235 112.235 120.597 -8.362 25974 884 1 6 . 1 1 43 43 CYS HA H 43 5.335 5.335 5.435 -0.100 25974 885 1 6 . 1 1 43 43 CYS H H 43 7.397 7.397 8.653 -1.256 25974 886 1 6 . 1 1 44 44 THR N N 44 112.586 112.586 114.373 -1.787 25974 887 1 6 . 1 1 44 44 THR HA H 44 5.221 5.221 5.338 -0.117 25974 888 1 6 . 1 1 44 44 THR H H 44 8.674 8.674 8.206 0.468 25974 889 1 6 . 1 1 45 45 VAL N N 45 121.814 121.814 119.600 2.214 25974 890 1 6 . 1 1 45 45 VAL HA H 45 4.430 4.430 4.446 -0.016 25974 891 1 6 . 1 1 45 45 VAL H H 45 8.555 8.555 8.839 -0.284 25974 892 1 6 . 1 1 46 46 ASP N N 46 126.626 126.626 128.282 -1.656 25974 893 1 6 . 1 1 46 46 ASP HA H 46 5.334 5.334 4.980 0.354 25974 894 1 6 . 1 1 46 46 ASP H H 46 8.519 8.519 8.628 -0.109 25974 895 1 6 . 1 1 47 47 THR N N 47 114.334 114.334 119.072 -4.738 25974 896 1 6 . 1 1 47 47 THR HA H 47 4.187 4.187 4.507 -0.320 25974 897 1 6 . 1 1 47 47 THR H H 47 9.116 9.116 8.911 0.205 25974 898 1 6 . 1 1 48 48 TYR N N 48 124.010 124.010 121.096 2.914 25974 899 1 6 . 1 1 48 48 TYR HA H 48 4.374 4.374 4.723 -0.349 25974 900 1 6 . 1 1 48 48 TYR H H 48 8.803 8.803 8.101 0.702 25974 901 1 6 . 1 1 49 49 ASN N N 49 113.668 113.668 115.450 -1.782 25974 902 1 6 . 1 1 49 49 ASN HA H 49 4.475 4.475 4.718 -0.243 25974 903 1 6 . 1 1 49 49 ASN H H 49 7.433 7.433 8.003 -0.570 25974 904 1 6 . 1 1 50 50 ASN N N 50 117.403 117.403 118.328 -0.925 25974 905 1 6 . 1 1 50 50 ASN HA H 50 4.199 4.199 4.482 -0.283 25974 906 1 6 . 1 1 50 50 ASN H H 50 7.863 7.863 7.974 -0.111 25974 907 1 6 . 1 1 51 51 ALA N N 51 121.102 121.102 123.349 -2.247 25974 908 1 6 . 1 1 51 51 ALA HA H 51 4.437 4.437 4.601 -0.164 25974 909 1 6 . 1 1 51 51 ALA H H 51 7.853 7.853 7.444 0.409 25974 910 1 6 . 1 1 52 52 VAL N N 52 126.326 126.326 122.916 3.410 25974 911 1 6 . 1 1 52 52 VAL HA H 52 4.875 4.875 4.927 -0.052 25974 912 1 6 . 1 1 52 52 VAL H H 52 8.297 8.297 8.220 0.077 25974 913 1 6 . 1 1 53 53 ASP N N 53 125.100 125.100 127.636 -2.536 25974 914 1 6 . 1 1 53 53 ASP HA H 53 4.795 4.795 4.918 -0.123 25974 915 1 6 . 1 1 53 53 ASP H H 53 8.519 8.519 8.375 0.144 25974 916 1 6 . 1 1 54 54 CYS N N 54 126.377 126.377 117.988 8.389 25974 917 1 6 . 1 1 54 54 CYS HA H 54 4.678 4.678 4.545 0.133 25974 918 1 6 . 1 1 54 54 CYS H H 54 8.609 8.609 8.474 0.135 25974 919 1 7 . 1 1 2 2 LYS N N 2 119.918 119.918 123.290 -3.372 25974 920 1 7 . 1 1 2 2 LYS HA H 2 5.230 5.230 4.322 0.908 25974 921 1 7 . 1 1 2 2 LYS H H 2 8.167 8.167 7.874 0.293 25974 922 1 7 . 1 1 3 3 TYR N N 3 122.493 122.493 120.461 2.032 25974 923 1 7 . 1 1 3 3 TYR HA H 3 4.809 4.809 4.821 -0.012 25974 924 1 7 . 1 1 3 3 TYR H H 3 8.939 8.939 8.742 0.197 25974 925 1 7 . 1 1 4 4 THR N N 4 117.297 117.297 117.267 0.030 25974 926 1 7 . 1 1 4 4 THR HA H 4 5.042 5.042 4.830 0.212 25974 927 1 7 . 1 1 4 4 THR H H 4 8.885 8.885 8.612 0.273 25974 928 1 7 . 1 1 5 5 GLY N N 5 115.452 115.452 112.646 2.806 25974 929 1 7 . 1 1 5 5 GLY H H 5 9.135 9.135 8.601 0.534 25974 930 1 7 . 1 1 6 6 LYS N N 6 121.001 121.001 116.895 4.106 25974 931 1 7 . 1 1 6 6 LYS HA H 6 5.378 5.378 5.116 0.262 25974 932 1 7 . 1 1 6 6 LYS H H 6 8.422 8.422 8.434 -0.012 25974 933 1 7 . 1 1 7 7 CYS N N 7 122.647 122.647 117.604 5.043 25974 934 1 7 . 1 1 7 7 CYS HA H 7 6.297 6.297 5.329 0.968 25974 935 1 7 . 1 1 7 7 CYS H H 7 9.767 9.767 9.064 0.703 25974 936 1 7 . 1 1 8 8 THR N N 8 113.493 113.493 113.766 -0.273 25974 937 1 7 . 1 1 8 8 THR HA H 8 4.704 4.704 4.841 -0.137 25974 938 1 7 . 1 1 8 8 THR H H 8 8.716 8.716 8.321 0.395 25974 939 1 7 . 1 1 9 9 LYS N N 9 127.640 127.640 126.516 1.124 25974 940 1 7 . 1 1 9 9 LYS HA H 9 3.493 3.493 4.087 -0.594 25974 941 1 7 . 1 1 9 9 LYS H H 9 8.947 8.947 8.572 0.375 25974 942 1 7 . 1 1 10 10 SER N N 10 116.726 116.726 116.345 0.381 25974 943 1 7 . 1 1 10 10 SER HA H 10 4.006 4.006 4.236 -0.230 25974 944 1 7 . 1 1 10 10 SER H H 10 9.484 9.484 8.179 1.305 25974 945 1 7 . 1 1 11 11 LYS N N 11 116.973 116.973 118.600 -1.627 25974 946 1 7 . 1 1 11 11 LYS HA H 11 4.153 4.153 4.410 -0.257 25974 947 1 7 . 1 1 11 11 LYS H H 11 7.051 7.051 8.247 -1.196 25974 948 1 7 . 1 1 12 12 ASN N N 12 120.652 120.652 118.570 2.082 25974 949 1 7 . 1 1 12 12 ASN HA H 12 4.566 4.566 4.597 -0.031 25974 950 1 7 . 1 1 12 12 ASN H H 12 7.590 7.590 8.216 -0.626 25974 951 1 7 . 1 1 13 13 GLU N N 13 115.322 115.322 122.679 -7.357 25974 952 1 7 . 1 1 13 13 GLU HA H 13 4.896 4.896 4.437 0.459 25974 953 1 7 . 1 1 13 13 GLU H H 13 7.290 7.290 8.378 -1.088 25974 954 1 7 . 1 1 14 14 CYS N N 14 123.345 123.345 126.025 -2.680 25974 955 1 7 . 1 1 14 14 CYS HA H 14 4.639 4.639 4.636 0.003 25974 956 1 7 . 1 1 14 14 CYS H H 14 9.588 9.588 9.034 0.554 25974 957 1 7 . 1 1 15 15 LYS N N 15 110.722 110.722 130.062 -19.340 25974 958 1 7 . 1 1 15 15 LYS HA H 15 4.946 4.946 5.106 -0.160 25974 959 1 7 . 1 1 15 15 LYS H H 15 8.636 8.636 8.931 -0.295 25974 960 1 7 . 1 1 16 16 TYR N N 16 126.630 126.630 118.126 8.504 25974 961 1 7 . 1 1 16 16 TYR HA H 16 4.899 4.899 4.729 0.170 25974 962 1 7 . 1 1 16 16 TYR H H 16 8.998 8.998 8.367 0.631 25974 963 1 7 . 1 1 17 17 LYS N N 17 120.977 120.977 120.385 0.592 25974 964 1 7 . 1 1 17 17 LYS HA H 17 4.406 4.406 4.751 -0.345 25974 965 1 7 . 1 1 17 17 LYS H H 17 8.421 8.421 8.205 0.216 25974 966 1 7 . 1 1 18 18 ASN N N 18 122.224 122.224 120.497 1.727 25974 967 1 7 . 1 1 18 18 ASN HA H 18 4.102 4.102 4.652 -0.550 25974 968 1 7 . 1 1 18 18 ASN H H 18 7.735 7.735 8.171 -0.436 25974 969 1 7 . 1 1 19 19 ASP N N 19 117.436 117.436 120.393 -2.957 25974 970 1 7 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.246 0.138 25974 971 1 7 . 1 1 19 19 ASP H H 19 8.238 8.238 9.037 -0.799 25974 972 1 7 . 1 1 20 20 ALA N N 20 120.895 120.895 122.322 -1.427 25974 973 1 7 . 1 1 20 20 ALA HA H 20 4.409 4.409 4.508 -0.099 25974 974 1 7 . 1 1 20 20 ALA H H 20 7.419 7.419 8.083 -0.664 25974 975 1 7 . 1 1 21 21 GLY N N 21 127.668 127.668 107.726 19.942 25974 976 1 7 . 1 1 21 21 GLY H H 21 8.170 8.170 7.747 0.423 25974 977 1 7 . 1 1 22 22 LYS N N 22 120.354 120.354 121.778 -1.424 25974 978 1 7 . 1 1 22 22 LYS HA H 22 4.309 4.309 4.158 0.151 25974 979 1 7 . 1 1 22 22 LYS H H 22 7.682 7.682 7.784 -0.102 25974 980 1 7 . 1 1 23 23 ASP N N 23 126.398 126.398 125.458 0.940 25974 981 1 7 . 1 1 23 23 ASP HA H 23 4.256 4.256 4.666 -0.410 25974 982 1 7 . 1 1 23 23 ASP H H 23 8.610 8.610 8.376 0.234 25974 983 1 7 . 1 1 24 24 THR N N 24 122.770 122.770 118.554 4.216 25974 984 1 7 . 1 1 24 24 THR HA H 24 4.012 4.012 4.397 -0.385 25974 985 1 7 . 1 1 24 24 THR H H 24 8.782 8.782 7.914 0.868 25974 986 1 7 . 1 1 25 25 PHE N N 25 122.423 122.423 122.247 0.176 25974 987 1 7 . 1 1 25 25 PHE HA H 25 5.404 5.404 5.251 0.153 25974 988 1 7 . 1 1 25 25 PHE H H 25 8.328 8.328 8.615 -0.287 25974 989 1 7 . 1 1 26 26 ILE N N 26 123.029 123.029 123.784 -0.755 25974 990 1 7 . 1 1 26 26 ILE HA H 26 4.614 4.614 4.670 -0.056 25974 991 1 7 . 1 1 26 26 ILE H H 26 9.138 9.138 9.225 -0.087 25974 992 1 7 . 1 1 27 27 LYS N N 27 127.077 127.077 129.012 -1.935 25974 993 1 7 . 1 1 27 27 LYS HA H 27 4.163 4.163 4.247 -0.084 25974 994 1 7 . 1 1 27 27 LYS H H 27 8.335 8.335 8.415 -0.080 25974 995 1 7 . 1 1 28 28 CYS N N 28 120.248 120.248 120.781 -0.533 25974 996 1 7 . 1 1 28 28 CYS HA H 28 4.659 4.659 4.809 -0.150 25974 997 1 7 . 1 1 28 28 CYS H H 28 8.618 8.618 8.710 -0.092 25974 998 1 7 . 1 1 29 29 PRO HA H 29 4.426 4.426 4.336 0.090 25974 999 1 7 . 1 1 30 30 LYS N N 30 115.643 115.643 118.550 -2.907 25974 1000 1 7 . 1 1 30 30 LYS HA H 30 3.949 3.949 3.828 0.121 25974 1001 1 7 . 1 1 30 30 LYS H H 30 8.002 8.002 8.148 -0.146 25974 1002 1 7 . 1 1 31 31 PHE N N 31 116.470 116.470 115.985 0.485 25974 1003 1 7 . 1 1 31 31 PHE HA H 31 4.504 4.504 4.551 -0.047 25974 1004 1 7 . 1 1 31 31 PHE H H 31 6.308 6.308 7.544 -1.236 25974 1005 1 7 . 1 1 32 32 ASP HA H 32 4.144 4.144 4.716 -0.572 25974 1006 1 7 . 1 1 33 33 ASN N N 33 113.110 113.110 116.317 -3.207 25974 1007 1 7 . 1 1 33 33 ASN HA H 33 4.673 4.673 4.877 -0.204 25974 1008 1 7 . 1 1 33 33 ASN H H 33 8.564 8.564 8.049 0.515 25974 1009 1 7 . 1 1 34 34 LYS N N 34 120.347 120.347 118.367 1.980 25974 1010 1 7 . 1 1 34 34 LYS HA H 34 4.984 4.984 4.455 0.529 25974 1011 1 7 . 1 1 34 34 LYS H H 34 7.914 7.914 8.146 -0.232 25974 1012 1 7 . 1 1 35 35 LYS N N 35 117.863 117.863 118.049 -0.186 25974 1013 1 7 . 1 1 35 35 LYS HA H 35 4.608 4.608 4.370 0.238 25974 1014 1 7 . 1 1 35 35 LYS H H 35 7.005 7.005 7.647 -0.642 25974 1015 1 7 . 1 1 36 36 CYS N N 36 118.915 118.915 120.033 -1.118 25974 1016 1 7 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.679 0.178 25974 1017 1 7 . 1 1 36 36 CYS H H 36 8.817 8.817 8.606 0.211 25974 1018 1 7 . 1 1 37 37 THR N N 37 121.008 121.008 117.164 3.844 25974 1019 1 7 . 1 1 37 37 THR HA H 37 4.300 4.300 4.520 -0.220 25974 1020 1 7 . 1 1 37 37 THR H H 37 9.980 9.980 8.408 1.572 25974 1021 1 7 . 1 1 38 38 LYS N N 38 122.326 122.326 121.218 1.108 25974 1022 1 7 . 1 1 38 38 LYS HA H 38 4.137 4.137 4.528 -0.391 25974 1023 1 7 . 1 1 38 38 LYS H H 38 7.287 7.287 7.655 -0.368 25974 1024 1 7 . 1 1 39 39 ASP N N 39 125.238 125.238 120.576 4.662 25974 1025 1 7 . 1 1 39 39 ASP HA H 39 4.578 4.578 4.546 0.031 25974 1026 1 7 . 1 1 39 39 ASP H H 39 8.817 8.817 8.467 0.350 25974 1027 1 7 . 1 1 40 40 ASN N N 40 114.713 114.713 119.947 -5.234 25974 1028 1 7 . 1 1 40 40 ASN HA H 40 4.272 4.272 4.279 -0.007 25974 1029 1 7 . 1 1 40 40 ASN H H 40 9.532 9.532 8.915 0.617 25974 1030 1 7 . 1 1 41 41 ASN N N 41 120.080 120.080 117.234 2.846 25974 1031 1 7 . 1 1 41 41 ASN HA H 41 4.717 4.717 4.582 0.135 25974 1032 1 7 . 1 1 41 41 ASN H H 41 7.742 7.742 7.954 -0.212 25974 1033 1 7 . 1 1 42 42 LYS N N 42 118.956 118.956 120.067 -1.111 25974 1034 1 7 . 1 1 42 42 LYS HA H 42 4.346 4.346 4.607 -0.261 25974 1035 1 7 . 1 1 42 42 LYS H H 42 8.397 8.397 8.403 -0.006 25974 1036 1 7 . 1 1 43 43 CYS N N 43 112.235 112.235 120.872 -8.637 25974 1037 1 7 . 1 1 43 43 CYS HA H 43 5.335 5.335 5.765 -0.430 25974 1038 1 7 . 1 1 43 43 CYS H H 43 7.397 7.397 8.995 -1.598 25974 1039 1 7 . 1 1 44 44 THR N N 44 112.586 112.586 113.249 -0.663 25974 1040 1 7 . 1 1 44 44 THR HA H 44 5.221 5.221 4.844 0.377 25974 1041 1 7 . 1 1 44 44 THR H H 44 8.674 8.674 8.288 0.386 25974 1042 1 7 . 1 1 45 45 VAL N N 45 121.814 121.814 124.412 -2.598 25974 1043 1 7 . 1 1 45 45 VAL HA H 45 4.430 4.430 4.294 0.136 25974 1044 1 7 . 1 1 45 45 VAL H H 45 8.555 8.555 8.614 -0.059 25974 1045 1 7 . 1 1 46 46 ASP N N 46 126.626 126.626 126.127 0.499 25974 1046 1 7 . 1 1 46 46 ASP HA H 46 5.334 5.334 4.968 0.366 25974 1047 1 7 . 1 1 46 46 ASP H H 46 8.519 8.519 8.919 -0.400 25974 1048 1 7 . 1 1 47 47 THR N N 47 114.334 114.334 119.368 -5.034 25974 1049 1 7 . 1 1 47 47 THR HA H 47 4.187 4.187 4.467 -0.280 25974 1050 1 7 . 1 1 47 47 THR H H 47 9.116 9.116 8.664 0.452 25974 1051 1 7 . 1 1 48 48 TYR N N 48 124.010 124.010 120.765 3.245 25974 1052 1 7 . 1 1 48 48 TYR HA H 48 4.374 4.374 4.689 -0.315 25974 1053 1 7 . 1 1 48 48 TYR H H 48 8.803 8.803 7.995 0.808 25974 1054 1 7 . 1 1 49 49 ASN N N 49 113.668 113.668 114.831 -1.163 25974 1055 1 7 . 1 1 49 49 ASN HA H 49 4.475 4.475 4.659 -0.184 25974 1056 1 7 . 1 1 49 49 ASN H H 49 7.433 7.433 8.074 -0.641 25974 1057 1 7 . 1 1 50 50 ASN N N 50 117.403 117.403 118.739 -1.336 25974 1058 1 7 . 1 1 50 50 ASN HA H 50 4.199 4.199 4.300 -0.101 25974 1059 1 7 . 1 1 50 50 ASN H H 50 7.863 7.863 8.141 -0.278 25974 1060 1 7 . 1 1 51 51 ALA N N 51 121.102 121.102 122.604 -1.502 25974 1061 1 7 . 1 1 51 51 ALA HA H 51 4.437 4.437 4.534 -0.097 25974 1062 1 7 . 1 1 51 51 ALA H H 51 7.853 7.853 7.830 0.023 25974 1063 1 7 . 1 1 52 52 VAL N N 52 126.326 126.326 119.092 7.234 25974 1064 1 7 . 1 1 52 52 VAL HA H 52 4.875 4.875 4.867 0.008 25974 1065 1 7 . 1 1 52 52 VAL H H 52 8.297 8.297 8.121 0.176 25974 1066 1 7 . 1 1 53 53 ASP N N 53 125.100 125.100 128.855 -3.755 25974 1067 1 7 . 1 1 53 53 ASP HA H 53 4.795 4.795 5.059 -0.264 25974 1068 1 7 . 1 1 53 53 ASP H H 53 8.519 8.519 8.740 -0.221 25974 1069 1 7 . 1 1 54 54 CYS N N 54 126.377 126.377 123.836 2.541 25974 1070 1 7 . 1 1 54 54 CYS HA H 54 4.678 4.678 4.461 0.217 25974 1071 1 7 . 1 1 54 54 CYS H H 54 8.609 8.609 8.425 0.184 25974 1072 1 8 . 1 1 2 2 LYS N N 2 119.918 119.918 121.227 -1.309 25974 1073 1 8 . 1 1 2 2 LYS HA H 2 5.230 5.230 4.421 0.809 25974 1074 1 8 . 1 1 2 2 LYS H H 2 8.167 8.167 7.905 0.262 25974 1075 1 8 . 1 1 3 3 TYR N N 3 122.493 122.493 124.940 -2.447 25974 1076 1 8 . 1 1 3 3 TYR HA H 3 4.809 4.809 4.787 0.022 25974 1077 1 8 . 1 1 3 3 TYR H H 3 8.939 8.939 9.212 -0.273 25974 1078 1 8 . 1 1 4 4 THR N N 4 117.297 117.297 116.667 0.630 25974 1079 1 8 . 1 1 4 4 THR HA H 4 5.042 5.042 4.557 0.485 25974 1080 1 8 . 1 1 4 4 THR H H 4 8.885 8.885 8.550 0.335 25974 1081 1 8 . 1 1 5 5 GLY N N 5 115.452 115.452 112.458 2.994 25974 1082 1 8 . 1 1 5 5 GLY H H 5 9.135 9.135 9.152 -0.017 25974 1083 1 8 . 1 1 6 6 LYS N N 6 121.001 121.001 117.441 3.560 25974 1084 1 8 . 1 1 6 6 LYS HA H 6 5.378 5.378 5.031 0.347 25974 1085 1 8 . 1 1 6 6 LYS H H 6 8.422 8.422 8.090 0.332 25974 1086 1 8 . 1 1 7 7 CYS N N 7 122.647 122.647 116.314 6.333 25974 1087 1 8 . 1 1 7 7 CYS HA H 7 6.297 6.297 5.605 0.692 25974 1088 1 8 . 1 1 7 7 CYS H H 7 9.767 9.767 8.913 0.854 25974 1089 1 8 . 1 1 8 8 THR N N 8 113.493 113.493 115.113 -1.620 25974 1090 1 8 . 1 1 8 8 THR HA H 8 4.704 4.704 5.015 -0.311 25974 1091 1 8 . 1 1 8 8 THR H H 8 8.716 8.716 8.137 0.579 25974 1092 1 8 . 1 1 9 9 LYS N N 9 127.640 127.640 126.703 0.937 25974 1093 1 8 . 1 1 9 9 LYS HA H 9 3.493 3.493 4.068 -0.575 25974 1094 1 8 . 1 1 9 9 LYS H H 9 8.947 8.947 9.076 -0.129 25974 1095 1 8 . 1 1 10 10 SER N N 10 116.726 116.726 117.315 -0.589 25974 1096 1 8 . 1 1 10 10 SER HA H 10 4.006 4.006 4.229 -0.223 25974 1097 1 8 . 1 1 10 10 SER H H 10 9.484 9.484 8.212 1.272 25974 1098 1 8 . 1 1 11 11 LYS N N 11 116.973 116.973 118.739 -1.766 25974 1099 1 8 . 1 1 11 11 LYS HA H 11 4.153 4.153 4.399 -0.246 25974 1100 1 8 . 1 1 11 11 LYS H H 11 7.051 7.051 8.113 -1.062 25974 1101 1 8 . 1 1 12 12 ASN N N 12 120.652 120.652 115.012 5.640 25974 1102 1 8 . 1 1 12 12 ASN HA H 12 4.566 4.566 4.418 0.148 25974 1103 1 8 . 1 1 12 12 ASN H H 12 7.590 7.590 8.382 -0.792 25974 1104 1 8 . 1 1 13 13 GLU N N 13 115.322 115.322 119.057 -3.735 25974 1105 1 8 . 1 1 13 13 GLU HA H 13 4.896 4.896 4.556 0.340 25974 1106 1 8 . 1 1 13 13 GLU H H 13 7.290 7.290 7.934 -0.644 25974 1107 1 8 . 1 1 14 14 CYS N N 14 123.345 123.345 127.015 -3.670 25974 1108 1 8 . 1 1 14 14 CYS HA H 14 4.639 4.639 4.798 -0.159 25974 1109 1 8 . 1 1 14 14 CYS H H 14 9.588 9.588 8.743 0.845 25974 1110 1 8 . 1 1 15 15 LYS N N 15 110.722 110.722 128.058 -17.336 25974 1111 1 8 . 1 1 15 15 LYS HA H 15 4.946 4.946 4.986 -0.040 25974 1112 1 8 . 1 1 15 15 LYS H H 15 8.636 8.636 8.684 -0.048 25974 1113 1 8 . 1 1 16 16 TYR N N 16 126.630 126.630 119.958 6.672 25974 1114 1 8 . 1 1 16 16 TYR HA H 16 4.899 4.899 4.768 0.131 25974 1115 1 8 . 1 1 16 16 TYR H H 16 8.998 8.998 8.829 0.169 25974 1116 1 8 . 1 1 17 17 LYS N N 17 120.977 120.977 120.178 0.799 25974 1117 1 8 . 1 1 17 17 LYS HA H 17 4.406 4.406 4.754 -0.348 25974 1118 1 8 . 1 1 17 17 LYS H H 17 8.421 8.421 8.216 0.205 25974 1119 1 8 . 1 1 18 18 ASN N N 18 122.224 122.224 120.675 1.549 25974 1120 1 8 . 1 1 18 18 ASN HA H 18 4.102 4.102 4.530 -0.428 25974 1121 1 8 . 1 1 18 18 ASN H H 18 7.735 7.735 7.959 -0.224 25974 1122 1 8 . 1 1 19 19 ASP N N 19 117.436 117.436 121.166 -3.730 25974 1123 1 8 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.279 0.105 25974 1124 1 8 . 1 1 19 19 ASP H H 19 8.238 8.238 9.118 -0.880 25974 1125 1 8 . 1 1 20 20 ALA N N 20 120.895 120.895 121.202 -0.307 25974 1126 1 8 . 1 1 20 20 ALA HA H 20 4.409 4.409 4.528 -0.119 25974 1127 1 8 . 1 1 20 20 ALA H H 20 7.419 7.419 8.185 -0.766 25974 1128 1 8 . 1 1 21 21 GLY N N 21 127.668 127.668 107.637 20.031 25974 1129 1 8 . 1 1 21 21 GLY H H 21 8.170 8.170 7.712 0.458 25974 1130 1 8 . 1 1 22 22 LYS N N 22 120.354 120.354 122.020 -1.666 25974 1131 1 8 . 1 1 22 22 LYS HA H 22 4.309 4.309 4.192 0.117 25974 1132 1 8 . 1 1 22 22 LYS H H 22 7.682 7.682 7.858 -0.176 25974 1133 1 8 . 1 1 23 23 ASP N N 23 126.398 126.398 126.147 0.251 25974 1134 1 8 . 1 1 23 23 ASP HA H 23 4.256 4.256 4.718 -0.462 25974 1135 1 8 . 1 1 23 23 ASP H H 23 8.610 8.610 8.439 0.171 25974 1136 1 8 . 1 1 24 24 THR N N 24 122.770 122.770 119.626 3.144 25974 1137 1 8 . 1 1 24 24 THR HA H 24 4.012 4.012 4.571 -0.559 25974 1138 1 8 . 1 1 24 24 THR H H 24 8.782 8.782 8.379 0.403 25974 1139 1 8 . 1 1 25 25 PHE N N 25 122.423 122.423 124.976 -2.553 25974 1140 1 8 . 1 1 25 25 PHE HA H 25 5.404 5.404 4.885 0.519 25974 1141 1 8 . 1 1 25 25 PHE H H 25 8.328 8.328 8.794 -0.466 25974 1142 1 8 . 1 1 26 26 ILE N N 26 123.029 123.029 123.519 -0.490 25974 1143 1 8 . 1 1 26 26 ILE HA H 26 4.614 4.614 4.606 0.008 25974 1144 1 8 . 1 1 26 26 ILE H H 26 9.138 9.138 8.931 0.207 25974 1145 1 8 . 1 1 27 27 LYS N N 27 127.077 127.077 127.588 -0.511 25974 1146 1 8 . 1 1 27 27 LYS HA H 27 4.163 4.163 4.432 -0.269 25974 1147 1 8 . 1 1 27 27 LYS H H 27 8.335 8.335 8.347 -0.012 25974 1148 1 8 . 1 1 28 28 CYS N N 28 120.248 120.248 121.106 -0.858 25974 1149 1 8 . 1 1 28 28 CYS HA H 28 4.659 4.659 4.836 -0.177 25974 1150 1 8 . 1 1 28 28 CYS H H 28 8.618 8.618 8.836 -0.218 25974 1151 1 8 . 1 1 29 29 PRO HA H 29 4.426 4.426 4.396 0.030 25974 1152 1 8 . 1 1 30 30 LYS N N 30 115.643 115.643 118.465 -2.822 25974 1153 1 8 . 1 1 30 30 LYS HA H 30 3.949 3.949 3.883 0.066 25974 1154 1 8 . 1 1 30 30 LYS H H 30 8.002 8.002 8.421 -0.419 25974 1155 1 8 . 1 1 31 31 PHE N N 31 116.470 116.470 117.743 -1.273 25974 1156 1 8 . 1 1 31 31 PHE HA H 31 4.504 4.504 4.699 -0.195 25974 1157 1 8 . 1 1 31 31 PHE H H 31 6.308 6.308 7.523 -1.215 25974 1158 1 8 . 1 1 32 32 ASP HA H 32 4.144 4.144 4.479 -0.335 25974 1159 1 8 . 1 1 33 33 ASN N N 33 113.110 113.110 115.072 -1.962 25974 1160 1 8 . 1 1 33 33 ASN HA H 33 4.673 4.673 4.772 -0.099 25974 1161 1 8 . 1 1 33 33 ASN H H 33 8.564 8.564 8.164 0.400 25974 1162 1 8 . 1 1 34 34 LYS N N 34 120.347 120.347 118.963 1.384 25974 1163 1 8 . 1 1 34 34 LYS HA H 34 4.984 4.984 4.535 0.449 25974 1164 1 8 . 1 1 34 34 LYS H H 34 7.914 7.914 8.042 -0.128 25974 1165 1 8 . 1 1 35 35 LYS N N 35 117.863 117.863 117.820 0.043 25974 1166 1 8 . 1 1 35 35 LYS HA H 35 4.608 4.608 4.366 0.242 25974 1167 1 8 . 1 1 35 35 LYS H H 35 7.005 7.005 7.695 -0.690 25974 1168 1 8 . 1 1 36 36 CYS N N 36 118.915 118.915 120.243 -1.328 25974 1169 1 8 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.436 0.421 25974 1170 1 8 . 1 1 36 36 CYS H H 36 8.817 8.817 8.565 0.252 25974 1171 1 8 . 1 1 37 37 THR N N 37 121.008 121.008 115.909 5.099 25974 1172 1 8 . 1 1 37 37 THR HA H 37 4.300 4.300 4.472 -0.172 25974 1173 1 8 . 1 1 37 37 THR H H 37 9.980 9.980 8.419 1.561 25974 1174 1 8 . 1 1 38 38 LYS N N 38 122.326 122.326 120.545 1.781 25974 1175 1 8 . 1 1 38 38 LYS HA H 38 4.137 4.137 4.475 -0.338 25974 1176 1 8 . 1 1 38 38 LYS H H 38 7.287 7.287 7.647 -0.360 25974 1177 1 8 . 1 1 39 39 ASP N N 39 125.238 125.238 121.650 3.588 25974 1178 1 8 . 1 1 39 39 ASP HA H 39 4.578 4.578 4.914 -0.336 25974 1179 1 8 . 1 1 39 39 ASP H H 39 8.817 8.817 8.556 0.261 25974 1180 1 8 . 1 1 40 40 ASN N N 40 114.713 114.713 120.341 -5.628 25974 1181 1 8 . 1 1 40 40 ASN HA H 40 4.272 4.272 4.236 0.036 25974 1182 1 8 . 1 1 40 40 ASN H H 40 9.532 9.532 8.681 0.851 25974 1183 1 8 . 1 1 41 41 ASN N N 41 120.080 120.080 117.997 2.083 25974 1184 1 8 . 1 1 41 41 ASN HA H 41 4.717 4.717 4.579 0.138 25974 1185 1 8 . 1 1 41 41 ASN H H 41 7.742 7.742 7.663 0.079 25974 1186 1 8 . 1 1 42 42 LYS N N 42 118.956 118.956 120.329 -1.373 25974 1187 1 8 . 1 1 42 42 LYS HA H 42 4.346 4.346 4.508 -0.162 25974 1188 1 8 . 1 1 42 42 LYS H H 42 8.397 8.397 8.368 0.029 25974 1189 1 8 . 1 1 43 43 CYS N N 43 112.235 112.235 121.447 -9.212 25974 1190 1 8 . 1 1 43 43 CYS HA H 43 5.335 5.335 5.499 -0.164 25974 1191 1 8 . 1 1 43 43 CYS H H 43 7.397 7.397 8.768 -1.371 25974 1192 1 8 . 1 1 44 44 THR N N 44 112.586 112.586 116.478 -3.892 25974 1193 1 8 . 1 1 44 44 THR HA H 44 5.221 5.221 5.049 0.172 25974 1194 1 8 . 1 1 44 44 THR H H 44 8.674 8.674 8.255 0.419 25974 1195 1 8 . 1 1 45 45 VAL N N 45 121.814 121.814 125.456 -3.642 25974 1196 1 8 . 1 1 45 45 VAL HA H 45 4.430 4.430 4.328 0.102 25974 1197 1 8 . 1 1 45 45 VAL H H 45 8.555 8.555 8.515 0.040 25974 1198 1 8 . 1 1 46 46 ASP N N 46 126.626 126.626 125.185 1.441 25974 1199 1 8 . 1 1 46 46 ASP HA H 46 5.334 5.334 5.125 0.209 25974 1200 1 8 . 1 1 46 46 ASP H H 46 8.519 8.519 8.804 -0.285 25974 1201 1 8 . 1 1 47 47 THR N N 47 114.334 114.334 120.606 -6.272 25974 1202 1 8 . 1 1 47 47 THR HA H 47 4.187 4.187 4.425 -0.238 25974 1203 1 8 . 1 1 47 47 THR H H 47 9.116 9.116 9.067 0.049 25974 1204 1 8 . 1 1 48 48 TYR N N 48 124.010 124.010 121.105 2.905 25974 1205 1 8 . 1 1 48 48 TYR HA H 48 4.374 4.374 4.392 -0.018 25974 1206 1 8 . 1 1 48 48 TYR H H 48 8.803 8.803 8.516 0.287 25974 1207 1 8 . 1 1 49 49 ASN N N 49 113.668 113.668 115.135 -1.467 25974 1208 1 8 . 1 1 49 49 ASN HA H 49 4.475 4.475 4.686 -0.211 25974 1209 1 8 . 1 1 49 49 ASN H H 49 7.433 7.433 7.987 -0.554 25974 1210 1 8 . 1 1 50 50 ASN N N 50 117.403 117.403 117.361 0.042 25974 1211 1 8 . 1 1 50 50 ASN HA H 50 4.199 4.199 4.388 -0.189 25974 1212 1 8 . 1 1 50 50 ASN H H 50 7.863 7.863 7.957 -0.094 25974 1213 1 8 . 1 1 51 51 ALA N N 51 121.102 121.102 122.867 -1.765 25974 1214 1 8 . 1 1 51 51 ALA HA H 51 4.437 4.437 4.431 0.006 25974 1215 1 8 . 1 1 51 51 ALA H H 51 7.853 7.853 8.227 -0.374 25974 1216 1 8 . 1 1 52 52 VAL N N 52 126.326 126.326 117.811 8.515 25974 1217 1 8 . 1 1 52 52 VAL HA H 52 4.875 4.875 5.050 -0.175 25974 1218 1 8 . 1 1 52 52 VAL H H 52 8.297 8.297 8.161 0.136 25974 1219 1 8 . 1 1 53 53 ASP N N 53 125.100 125.100 127.435 -2.335 25974 1220 1 8 . 1 1 53 53 ASP HA H 53 4.795 4.795 5.121 -0.326 25974 1221 1 8 . 1 1 53 53 ASP H H 53 8.519 8.519 8.558 -0.039 25974 1222 1 8 . 1 1 54 54 CYS N N 54 126.377 126.377 120.065 6.312 25974 1223 1 8 . 1 1 54 54 CYS HA H 54 4.678 4.678 4.317 0.361 25974 1224 1 8 . 1 1 54 54 CYS H H 54 8.609 8.609 8.527 0.082 25974 1225 1 9 . 1 1 2 2 LYS N N 2 119.918 119.918 118.342 1.576 25974 1226 1 9 . 1 1 2 2 LYS HA H 2 5.230 5.230 4.287 0.943 25974 1227 1 9 . 1 1 2 2 LYS H H 2 8.167 8.167 8.012 0.155 25974 1228 1 9 . 1 1 3 3 TYR N N 3 122.493 122.493 119.722 2.771 25974 1229 1 9 . 1 1 3 3 TYR HA H 3 4.809 4.809 4.741 0.068 25974 1230 1 9 . 1 1 3 3 TYR H H 3 8.939 8.939 8.956 -0.017 25974 1231 1 9 . 1 1 4 4 THR N N 4 117.297 117.297 116.600 0.697 25974 1232 1 9 . 1 1 4 4 THR HA H 4 5.042 5.042 4.574 0.468 25974 1233 1 9 . 1 1 4 4 THR H H 4 8.885 8.885 8.527 0.358 25974 1234 1 9 . 1 1 5 5 GLY N N 5 115.452 115.452 112.691 2.761 25974 1235 1 9 . 1 1 5 5 GLY H H 5 9.135 9.135 9.085 0.050 25974 1236 1 9 . 1 1 6 6 LYS N N 6 121.001 121.001 117.171 3.830 25974 1237 1 9 . 1 1 6 6 LYS HA H 6 5.378 5.378 5.187 0.191 25974 1238 1 9 . 1 1 6 6 LYS H H 6 8.422 8.422 7.935 0.487 25974 1239 1 9 . 1 1 7 7 CYS N N 7 122.647 122.647 117.156 5.491 25974 1240 1 9 . 1 1 7 7 CYS HA H 7 6.297 6.297 5.404 0.893 25974 1241 1 9 . 1 1 7 7 CYS H H 7 9.767 9.767 8.920 0.847 25974 1242 1 9 . 1 1 8 8 THR N N 8 113.493 113.493 114.384 -0.891 25974 1243 1 9 . 1 1 8 8 THR HA H 8 4.704 4.704 4.864 -0.160 25974 1244 1 9 . 1 1 8 8 THR H H 8 8.716 8.716 8.181 0.535 25974 1245 1 9 . 1 1 9 9 LYS N N 9 127.640 127.640 125.996 1.644 25974 1246 1 9 . 1 1 9 9 LYS HA H 9 3.493 3.493 4.258 -0.765 25974 1247 1 9 . 1 1 9 9 LYS H H 9 8.947 8.947 8.631 0.316 25974 1248 1 9 . 1 1 10 10 SER N N 10 116.726 116.726 115.482 1.244 25974 1249 1 9 . 1 1 10 10 SER HA H 10 4.006 4.006 4.218 -0.212 25974 1250 1 9 . 1 1 10 10 SER H H 10 9.484 9.484 7.998 1.486 25974 1251 1 9 . 1 1 11 11 LYS N N 11 116.973 116.973 119.131 -2.158 25974 1252 1 9 . 1 1 11 11 LYS HA H 11 4.153 4.153 4.382 -0.229 25974 1253 1 9 . 1 1 11 11 LYS H H 11 7.051 7.051 8.225 -1.174 25974 1254 1 9 . 1 1 12 12 ASN N N 12 120.652 120.652 118.714 1.938 25974 1255 1 9 . 1 1 12 12 ASN HA H 12 4.566 4.566 4.470 0.096 25974 1256 1 9 . 1 1 12 12 ASN H H 12 7.590 7.590 8.106 -0.516 25974 1257 1 9 . 1 1 13 13 GLU N N 13 115.322 115.322 122.741 -7.419 25974 1258 1 9 . 1 1 13 13 GLU HA H 13 4.896 4.896 4.443 0.453 25974 1259 1 9 . 1 1 13 13 GLU H H 13 7.290 7.290 8.374 -1.084 25974 1260 1 9 . 1 1 14 14 CYS N N 14 123.345 123.345 126.167 -2.822 25974 1261 1 9 . 1 1 14 14 CYS HA H 14 4.639 4.639 4.652 -0.013 25974 1262 1 9 . 1 1 14 14 CYS H H 14 9.588 9.588 8.909 0.679 25974 1263 1 9 . 1 1 15 15 LYS N N 15 110.722 110.722 130.483 -19.761 25974 1264 1 9 . 1 1 15 15 LYS HA H 15 4.946 4.946 5.212 -0.266 25974 1265 1 9 . 1 1 15 15 LYS H H 15 8.636 8.636 9.019 -0.383 25974 1266 1 9 . 1 1 16 16 TYR N N 16 126.630 126.630 120.133 6.497 25974 1267 1 9 . 1 1 16 16 TYR HA H 16 4.899 4.899 4.816 0.083 25974 1268 1 9 . 1 1 16 16 TYR H H 16 8.998 8.998 8.697 0.301 25974 1269 1 9 . 1 1 17 17 LYS N N 17 120.977 120.977 119.832 1.145 25974 1270 1 9 . 1 1 17 17 LYS HA H 17 4.406 4.406 4.679 -0.273 25974 1271 1 9 . 1 1 17 17 LYS H H 17 8.421 8.421 8.087 0.334 25974 1272 1 9 . 1 1 18 18 ASN N N 18 122.224 122.224 120.720 1.504 25974 1273 1 9 . 1 1 18 18 ASN HA H 18 4.102 4.102 4.645 -0.543 25974 1274 1 9 . 1 1 18 18 ASN H H 18 7.735 7.735 8.109 -0.374 25974 1275 1 9 . 1 1 19 19 ASP N N 19 117.436 117.436 119.783 -2.347 25974 1276 1 9 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.318 0.066 25974 1277 1 9 . 1 1 19 19 ASP H H 19 8.238 8.238 8.986 -0.748 25974 1278 1 9 . 1 1 20 20 ALA N N 20 120.895 120.895 122.123 -1.228 25974 1279 1 9 . 1 1 20 20 ALA HA H 20 4.409 4.409 4.520 -0.111 25974 1280 1 9 . 1 1 20 20 ALA H H 20 7.419 7.419 8.344 -0.925 25974 1281 1 9 . 1 1 21 21 GLY N N 21 127.668 127.668 107.318 20.350 25974 1282 1 9 . 1 1 21 21 GLY H H 21 8.170 8.170 7.829 0.341 25974 1283 1 9 . 1 1 22 22 LYS N N 22 120.354 120.354 122.434 -2.080 25974 1284 1 9 . 1 1 22 22 LYS HA H 22 4.309 4.309 4.065 0.244 25974 1285 1 9 . 1 1 22 22 LYS H H 22 7.682 7.682 7.795 -0.113 25974 1286 1 9 . 1 1 23 23 ASP N N 23 126.398 126.398 125.603 0.795 25974 1287 1 9 . 1 1 23 23 ASP HA H 23 4.256 4.256 4.725 -0.469 25974 1288 1 9 . 1 1 23 23 ASP H H 23 8.610 8.610 8.484 0.126 25974 1289 1 9 . 1 1 24 24 THR N N 24 122.770 122.770 120.142 2.628 25974 1290 1 9 . 1 1 24 24 THR HA H 24 4.012 4.012 4.357 -0.345 25974 1291 1 9 . 1 1 24 24 THR H H 24 8.782 8.782 8.254 0.528 25974 1292 1 9 . 1 1 25 25 PHE N N 25 122.423 122.423 123.061 -0.638 25974 1293 1 9 . 1 1 25 25 PHE HA H 25 5.404 5.404 5.408 -0.004 25974 1294 1 9 . 1 1 25 25 PHE H H 25 8.328 8.328 8.556 -0.228 25974 1295 1 9 . 1 1 26 26 ILE N N 26 123.029 123.029 122.184 0.845 25974 1296 1 9 . 1 1 26 26 ILE HA H 26 4.614 4.614 4.557 0.057 25974 1297 1 9 . 1 1 26 26 ILE H H 26 9.138 9.138 9.089 0.049 25974 1298 1 9 . 1 1 27 27 LYS N N 27 127.077 127.077 128.587 -1.510 25974 1299 1 9 . 1 1 27 27 LYS HA H 27 4.163 4.163 4.260 -0.097 25974 1300 1 9 . 1 1 27 27 LYS H H 27 8.335 8.335 8.345 -0.010 25974 1301 1 9 . 1 1 28 28 CYS N N 28 120.248 120.248 121.605 -1.357 25974 1302 1 9 . 1 1 28 28 CYS HA H 28 4.659 4.659 4.741 -0.082 25974 1303 1 9 . 1 1 28 28 CYS H H 28 8.618 8.618 8.438 0.180 25974 1304 1 9 . 1 1 29 29 PRO HA H 29 4.426 4.426 4.370 0.056 25974 1305 1 9 . 1 1 30 30 LYS N N 30 115.643 115.643 119.054 -3.411 25974 1306 1 9 . 1 1 30 30 LYS HA H 30 3.949 3.949 3.862 0.087 25974 1307 1 9 . 1 1 30 30 LYS H H 30 8.002 8.002 8.327 -0.325 25974 1308 1 9 . 1 1 31 31 PHE N N 31 116.470 116.470 116.198 0.272 25974 1309 1 9 . 1 1 31 31 PHE HA H 31 4.504 4.504 4.585 -0.081 25974 1310 1 9 . 1 1 31 31 PHE H H 31 6.308 6.308 7.319 -1.011 25974 1311 1 9 . 1 1 32 32 ASP HA H 32 4.144 4.144 4.797 -0.653 25974 1312 1 9 . 1 1 33 33 ASN N N 33 113.110 113.110 115.856 -2.746 25974 1313 1 9 . 1 1 33 33 ASN HA H 33 4.673 4.673 4.835 -0.162 25974 1314 1 9 . 1 1 33 33 ASN H H 33 8.564 8.564 8.544 0.020 25974 1315 1 9 . 1 1 34 34 LYS N N 34 120.347 120.347 118.517 1.830 25974 1316 1 9 . 1 1 34 34 LYS HA H 34 4.984 4.984 4.466 0.518 25974 1317 1 9 . 1 1 34 34 LYS H H 34 7.914 7.914 8.274 -0.360 25974 1318 1 9 . 1 1 35 35 LYS N N 35 117.863 117.863 119.279 -1.416 25974 1319 1 9 . 1 1 35 35 LYS HA H 35 4.608 4.608 4.193 0.415 25974 1320 1 9 . 1 1 35 35 LYS H H 35 7.005 7.005 7.700 -0.695 25974 1321 1 9 . 1 1 36 36 CYS N N 36 118.915 118.915 120.597 -1.682 25974 1322 1 9 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.304 0.553 25974 1323 1 9 . 1 1 36 36 CYS H H 36 8.817 8.817 8.607 0.210 25974 1324 1 9 . 1 1 37 37 THR N N 37 121.008 121.008 120.574 0.434 25974 1325 1 9 . 1 1 37 37 THR HA H 37 4.300 4.300 4.416 -0.116 25974 1326 1 9 . 1 1 37 37 THR H H 37 9.980 9.980 8.884 1.096 25974 1327 1 9 . 1 1 38 38 LYS N N 38 122.326 122.326 120.259 2.067 25974 1328 1 9 . 1 1 38 38 LYS HA H 38 4.137 4.137 4.464 -0.327 25974 1329 1 9 . 1 1 38 38 LYS H H 38 7.287 7.287 7.665 -0.378 25974 1330 1 9 . 1 1 39 39 ASP N N 39 125.238 125.238 120.216 5.022 25974 1331 1 9 . 1 1 39 39 ASP HA H 39 4.578 4.578 4.564 0.014 25974 1332 1 9 . 1 1 39 39 ASP H H 39 8.817 8.817 8.560 0.257 25974 1333 1 9 . 1 1 40 40 ASN N N 40 114.713 114.713 119.690 -4.977 25974 1334 1 9 . 1 1 40 40 ASN HA H 40 4.272 4.272 4.315 -0.043 25974 1335 1 9 . 1 1 40 40 ASN H H 40 9.532 9.532 8.868 0.664 25974 1336 1 9 . 1 1 41 41 ASN N N 41 120.080 120.080 117.069 3.011 25974 1337 1 9 . 1 1 41 41 ASN HA H 41 4.717 4.717 4.597 0.120 25974 1338 1 9 . 1 1 41 41 ASN H H 41 7.742 7.742 7.985 -0.243 25974 1339 1 9 . 1 1 42 42 LYS N N 42 118.956 118.956 120.989 -2.033 25974 1340 1 9 . 1 1 42 42 LYS HA H 42 4.346 4.346 4.556 -0.210 25974 1341 1 9 . 1 1 42 42 LYS H H 42 8.397 8.397 8.372 0.025 25974 1342 1 9 . 1 1 43 43 CYS N N 43 112.235 112.235 122.109 -9.874 25974 1343 1 9 . 1 1 43 43 CYS HA H 43 5.335 5.335 5.389 -0.054 25974 1344 1 9 . 1 1 43 43 CYS H H 43 7.397 7.397 8.638 -1.241 25974 1345 1 9 . 1 1 44 44 THR N N 44 112.586 112.586 116.598 -4.012 25974 1346 1 9 . 1 1 44 44 THR HA H 44 5.221 5.221 4.996 0.225 25974 1347 1 9 . 1 1 44 44 THR H H 44 8.674 8.674 8.322 0.352 25974 1348 1 9 . 1 1 45 45 VAL N N 45 121.814 121.814 122.137 -0.323 25974 1349 1 9 . 1 1 45 45 VAL HA H 45 4.430 4.430 4.465 -0.035 25974 1350 1 9 . 1 1 45 45 VAL H H 45 8.555 8.555 8.771 -0.216 25974 1351 1 9 . 1 1 46 46 ASP N N 46 126.626 126.626 124.903 1.723 25974 1352 1 9 . 1 1 46 46 ASP HA H 46 5.334 5.334 5.037 0.297 25974 1353 1 9 . 1 1 46 46 ASP H H 46 8.519 8.519 8.771 -0.252 25974 1354 1 9 . 1 1 47 47 THR N N 47 114.334 114.334 119.307 -4.973 25974 1355 1 9 . 1 1 47 47 THR HA H 47 4.187 4.187 4.599 -0.412 25974 1356 1 9 . 1 1 47 47 THR H H 47 9.116 9.116 8.783 0.333 25974 1357 1 9 . 1 1 48 48 TYR N N 48 124.010 124.010 121.141 2.869 25974 1358 1 9 . 1 1 48 48 TYR HA H 48 4.374 4.374 4.603 -0.229 25974 1359 1 9 . 1 1 48 48 TYR H H 48 8.803 8.803 7.961 0.842 25974 1360 1 9 . 1 1 49 49 ASN N N 49 113.668 113.668 117.945 -4.277 25974 1361 1 9 . 1 1 49 49 ASN HA H 49 4.475 4.475 4.668 -0.193 25974 1362 1 9 . 1 1 49 49 ASN H H 49 7.433 7.433 8.290 -0.857 25974 1363 1 9 . 1 1 50 50 ASN N N 50 117.403 117.403 117.532 -0.129 25974 1364 1 9 . 1 1 50 50 ASN HA H 50 4.199 4.199 4.433 -0.234 25974 1365 1 9 . 1 1 50 50 ASN H H 50 7.863 7.863 8.297 -0.434 25974 1366 1 9 . 1 1 51 51 ALA N N 51 121.102 121.102 122.586 -1.484 25974 1367 1 9 . 1 1 51 51 ALA HA H 51 4.437 4.437 4.651 -0.214 25974 1368 1 9 . 1 1 51 51 ALA H H 51 7.853 7.853 7.379 0.474 25974 1369 1 9 . 1 1 52 52 VAL N N 52 126.326 126.326 119.608 6.718 25974 1370 1 9 . 1 1 52 52 VAL HA H 52 4.875 4.875 4.938 -0.063 25974 1371 1 9 . 1 1 52 52 VAL H H 52 8.297 8.297 8.317 -0.020 25974 1372 1 9 . 1 1 53 53 ASP N N 53 125.100 125.100 125.565 -0.465 25974 1373 1 9 . 1 1 53 53 ASP HA H 53 4.795 4.795 5.056 -0.261 25974 1374 1 9 . 1 1 53 53 ASP H H 53 8.519 8.519 8.774 -0.255 25974 1375 1 9 . 1 1 54 54 CYS N N 54 126.377 126.377 118.364 8.013 25974 1376 1 9 . 1 1 54 54 CYS HA H 54 4.678 4.678 4.439 0.239 25974 1377 1 9 . 1 1 54 54 CYS H H 54 8.609 8.609 8.164 0.445 25974 1378 1 10 . 1 1 2 2 LYS N N 2 119.918 119.918 119.830 0.088 25974 1379 1 10 . 1 1 2 2 LYS HA H 2 5.230 5.230 4.394 0.836 25974 1380 1 10 . 1 1 2 2 LYS H H 2 8.167 8.167 7.552 0.615 25974 1381 1 10 . 1 1 3 3 TYR N N 3 122.493 122.493 123.592 -1.099 25974 1382 1 10 . 1 1 3 3 TYR HA H 3 4.809 4.809 4.566 0.243 25974 1383 1 10 . 1 1 3 3 TYR H H 3 8.939 8.939 8.062 0.877 25974 1384 1 10 . 1 1 4 4 THR N N 4 117.297 117.297 120.181 -2.884 25974 1385 1 10 . 1 1 4 4 THR HA H 4 5.042 5.042 4.467 0.575 25974 1386 1 10 . 1 1 4 4 THR H H 4 8.885 8.885 8.685 0.200 25974 1387 1 10 . 1 1 5 5 GLY N N 5 115.452 115.452 114.069 1.383 25974 1388 1 10 . 1 1 5 5 GLY H H 5 9.135 9.135 8.834 0.301 25974 1389 1 10 . 1 1 6 6 LYS N N 6 121.001 121.001 116.892 4.109 25974 1390 1 10 . 1 1 6 6 LYS HA H 6 5.378 5.378 5.171 0.207 25974 1391 1 10 . 1 1 6 6 LYS H H 6 8.422 8.422 7.984 0.438 25974 1392 1 10 . 1 1 7 7 CYS N N 7 122.647 122.647 117.420 5.227 25974 1393 1 10 . 1 1 7 7 CYS HA H 7 6.297 6.297 5.310 0.987 25974 1394 1 10 . 1 1 7 7 CYS H H 7 9.767 9.767 8.794 0.973 25974 1395 1 10 . 1 1 8 8 THR N N 8 113.493 113.493 114.514 -1.021 25974 1396 1 10 . 1 1 8 8 THR HA H 8 4.704 4.704 4.787 -0.083 25974 1397 1 10 . 1 1 8 8 THR H H 8 8.716 8.716 8.311 0.405 25974 1398 1 10 . 1 1 9 9 LYS N N 9 127.640 127.640 126.543 1.097 25974 1399 1 10 . 1 1 9 9 LYS HA H 9 3.493 3.493 4.092 -0.599 25974 1400 1 10 . 1 1 9 9 LYS H H 9 8.947 8.947 8.619 0.328 25974 1401 1 10 . 1 1 10 10 SER N N 10 116.726 116.726 115.931 0.795 25974 1402 1 10 . 1 1 10 10 SER HA H 10 4.006 4.006 4.243 -0.237 25974 1403 1 10 . 1 1 10 10 SER H H 10 9.484 9.484 8.175 1.309 25974 1404 1 10 . 1 1 11 11 LYS N N 11 116.973 116.973 117.896 -0.923 25974 1405 1 10 . 1 1 11 11 LYS HA H 11 4.153 4.153 4.480 -0.327 25974 1406 1 10 . 1 1 11 11 LYS H H 11 7.051 7.051 8.300 -1.249 25974 1407 1 10 . 1 1 12 12 ASN N N 12 120.652 120.652 118.343 2.309 25974 1408 1 10 . 1 1 12 12 ASN HA H 12 4.566 4.566 4.590 -0.024 25974 1409 1 10 . 1 1 12 12 ASN H H 12 7.590 7.590 8.248 -0.658 25974 1410 1 10 . 1 1 13 13 GLU N N 13 115.322 115.322 122.635 -7.313 25974 1411 1 10 . 1 1 13 13 GLU HA H 13 4.896 4.896 4.482 0.414 25974 1412 1 10 . 1 1 13 13 GLU H H 13 7.290 7.290 8.464 -1.174 25974 1413 1 10 . 1 1 14 14 CYS N N 14 123.345 123.345 125.232 -1.887 25974 1414 1 10 . 1 1 14 14 CYS HA H 14 4.639 4.639 4.667 -0.028 25974 1415 1 10 . 1 1 14 14 CYS H H 14 9.588 9.588 8.833 0.755 25974 1416 1 10 . 1 1 15 15 LYS N N 15 110.722 110.722 130.405 -19.683 25974 1417 1 10 . 1 1 15 15 LYS HA H 15 4.946 4.946 4.827 0.119 25974 1418 1 10 . 1 1 15 15 LYS H H 15 8.636 8.636 8.985 -0.349 25974 1419 1 10 . 1 1 16 16 TYR N N 16 126.630 126.630 118.987 7.643 25974 1420 1 10 . 1 1 16 16 TYR HA H 16 4.899 4.899 4.758 0.141 25974 1421 1 10 . 1 1 16 16 TYR H H 16 8.998 8.998 8.597 0.401 25974 1422 1 10 . 1 1 17 17 LYS N N 17 120.977 120.977 120.798 0.179 25974 1423 1 10 . 1 1 17 17 LYS HA H 17 4.406 4.406 4.197 0.209 25974 1424 1 10 . 1 1 17 17 LYS H H 17 8.421 8.421 8.374 0.047 25974 1425 1 10 . 1 1 18 18 ASN N N 18 122.224 122.224 121.092 1.132 25974 1426 1 10 . 1 1 18 18 ASN HA H 18 4.102 4.102 4.403 -0.301 25974 1427 1 10 . 1 1 18 18 ASN H H 18 7.735 7.735 8.235 -0.500 25974 1428 1 10 . 1 1 19 19 ASP N N 19 117.436 117.436 122.944 -5.508 25974 1429 1 10 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.371 0.013 25974 1430 1 10 . 1 1 19 19 ASP H H 19 8.238 8.238 8.587 -0.349 25974 1431 1 10 . 1 1 20 20 ALA N N 20 120.895 120.895 117.735 3.160 25974 1432 1 10 . 1 1 20 20 ALA HA H 20 4.409 4.409 4.398 0.011 25974 1433 1 10 . 1 1 20 20 ALA H H 20 7.419 7.419 7.959 -0.540 25974 1434 1 10 . 1 1 21 21 GLY N N 21 127.668 127.668 105.648 22.020 25974 1435 1 10 . 1 1 21 21 GLY H H 21 8.170 8.170 7.857 0.313 25974 1436 1 10 . 1 1 22 22 LYS N N 22 120.354 120.354 122.425 -2.071 25974 1437 1 10 . 1 1 22 22 LYS HA H 22 4.309 4.309 4.350 -0.041 25974 1438 1 10 . 1 1 22 22 LYS H H 22 7.682 7.682 7.811 -0.129 25974 1439 1 10 . 1 1 23 23 ASP N N 23 126.398 126.398 127.430 -1.032 25974 1440 1 10 . 1 1 23 23 ASP HA H 23 4.256 4.256 4.510 -0.254 25974 1441 1 10 . 1 1 23 23 ASP H H 23 8.610 8.610 8.521 0.089 25974 1442 1 10 . 1 1 24 24 THR N N 24 122.770 122.770 119.184 3.586 25974 1443 1 10 . 1 1 24 24 THR HA H 24 4.012 4.012 4.517 -0.505 25974 1444 1 10 . 1 1 24 24 THR H H 24 8.782 8.782 7.886 0.896 25974 1445 1 10 . 1 1 25 25 PHE N N 25 122.423 122.423 124.413 -1.990 25974 1446 1 10 . 1 1 25 25 PHE HA H 25 5.404 5.404 5.079 0.325 25974 1447 1 10 . 1 1 25 25 PHE H H 25 8.328 8.328 8.757 -0.429 25974 1448 1 10 . 1 1 26 26 ILE N N 26 123.029 123.029 124.037 -1.008 25974 1449 1 10 . 1 1 26 26 ILE HA H 26 4.614 4.614 4.644 -0.030 25974 1450 1 10 . 1 1 26 26 ILE H H 26 9.138 9.138 9.227 -0.089 25974 1451 1 10 . 1 1 27 27 LYS N N 27 127.077 127.077 126.927 0.150 25974 1452 1 10 . 1 1 27 27 LYS HA H 27 4.163 4.163 4.230 -0.067 25974 1453 1 10 . 1 1 27 27 LYS H H 27 8.335 8.335 8.401 -0.066 25974 1454 1 10 . 1 1 28 28 CYS N N 28 120.248 120.248 121.364 -1.116 25974 1455 1 10 . 1 1 28 28 CYS HA H 28 4.659 4.659 4.699 -0.040 25974 1456 1 10 . 1 1 28 28 CYS H H 28 8.618 8.618 8.755 -0.137 25974 1457 1 10 . 1 1 29 29 PRO HA H 29 4.426 4.426 4.315 0.111 25974 1458 1 10 . 1 1 30 30 LYS N N 30 115.643 115.643 117.912 -2.269 25974 1459 1 10 . 1 1 30 30 LYS HA H 30 3.949 3.949 3.895 0.054 25974 1460 1 10 . 1 1 30 30 LYS H H 30 8.002 8.002 8.276 -0.274 25974 1461 1 10 . 1 1 31 31 PHE N N 31 116.470 116.470 117.076 -0.606 25974 1462 1 10 . 1 1 31 31 PHE HA H 31 4.504 4.504 4.605 -0.101 25974 1463 1 10 . 1 1 31 31 PHE H H 31 6.308 6.308 7.560 -1.252 25974 1464 1 10 . 1 1 32 32 ASP HA H 32 4.144 4.144 4.698 -0.554 25974 1465 1 10 . 1 1 33 33 ASN N N 33 113.110 113.110 116.727 -3.617 25974 1466 1 10 . 1 1 33 33 ASN HA H 33 4.673 4.673 4.827 -0.154 25974 1467 1 10 . 1 1 33 33 ASN H H 33 8.564 8.564 8.079 0.485 25974 1468 1 10 . 1 1 34 34 LYS N N 34 120.347 120.347 119.803 0.544 25974 1469 1 10 . 1 1 34 34 LYS HA H 34 4.984 4.984 4.381 0.603 25974 1470 1 10 . 1 1 34 34 LYS H H 34 7.914 7.914 8.191 -0.277 25974 1471 1 10 . 1 1 35 35 LYS N N 35 117.863 117.863 117.643 0.220 25974 1472 1 10 . 1 1 35 35 LYS HA H 35 4.608 4.608 4.333 0.275 25974 1473 1 10 . 1 1 35 35 LYS H H 35 7.005 7.005 7.634 -0.629 25974 1474 1 10 . 1 1 36 36 CYS N N 36 118.915 118.915 120.042 -1.127 25974 1475 1 10 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.348 0.509 25974 1476 1 10 . 1 1 36 36 CYS H H 36 8.817 8.817 8.548 0.269 25974 1477 1 10 . 1 1 37 37 THR N N 37 121.008 121.008 116.338 4.670 25974 1478 1 10 . 1 1 37 37 THR HA H 37 4.300 4.300 4.397 -0.097 25974 1479 1 10 . 1 1 37 37 THR H H 37 9.980 9.980 8.306 1.674 25974 1480 1 10 . 1 1 38 38 LYS N N 38 122.326 122.326 120.283 2.043 25974 1481 1 10 . 1 1 38 38 LYS HA H 38 4.137 4.137 4.460 -0.323 25974 1482 1 10 . 1 1 38 38 LYS H H 38 7.287 7.287 7.684 -0.397 25974 1483 1 10 . 1 1 39 39 ASP N N 39 125.238 125.238 120.836 4.402 25974 1484 1 10 . 1 1 39 39 ASP HA H 39 4.578 4.578 4.535 0.043 25974 1485 1 10 . 1 1 39 39 ASP H H 39 8.817 8.817 8.485 0.332 25974 1486 1 10 . 1 1 40 40 ASN N N 40 114.713 114.713 120.620 -5.907 25974 1487 1 10 . 1 1 40 40 ASN HA H 40 4.272 4.272 4.296 -0.024 25974 1488 1 10 . 1 1 40 40 ASN H H 40 9.532 9.532 8.921 0.610 25974 1489 1 10 . 1 1 41 41 ASN N N 41 120.080 120.080 116.439 3.641 25974 1490 1 10 . 1 1 41 41 ASN HA H 41 4.717 4.717 4.697 0.020 25974 1491 1 10 . 1 1 41 41 ASN H H 41 7.742 7.742 7.990 -0.248 25974 1492 1 10 . 1 1 42 42 LYS N N 42 118.956 118.956 118.991 -0.035 25974 1493 1 10 . 1 1 42 42 LYS HA H 42 4.346 4.346 4.628 -0.282 25974 1494 1 10 . 1 1 42 42 LYS H H 42 8.397 8.397 8.350 0.047 25974 1495 1 10 . 1 1 43 43 CYS N N 43 112.235 112.235 119.384 -7.149 25974 1496 1 10 . 1 1 43 43 CYS HA H 43 5.335 5.335 5.421 -0.087 25974 1497 1 10 . 1 1 43 43 CYS H H 43 7.397 7.397 8.808 -1.411 25974 1498 1 10 . 1 1 44 44 THR N N 44 112.586 112.586 114.895 -2.309 25974 1499 1 10 . 1 1 44 44 THR HA H 44 5.221 5.221 5.365 -0.144 25974 1500 1 10 . 1 1 44 44 THR H H 44 8.674 8.674 7.876 0.798 25974 1501 1 10 . 1 1 45 45 VAL N N 45 121.814 121.814 118.118 3.696 25974 1502 1 10 . 1 1 45 45 VAL HA H 45 4.430 4.430 4.475 -0.045 25974 1503 1 10 . 1 1 45 45 VAL H H 45 8.555 8.555 8.610 -0.055 25974 1504 1 10 . 1 1 46 46 ASP N N 46 126.626 126.626 126.187 0.439 25974 1505 1 10 . 1 1 46 46 ASP HA H 46 5.334 5.334 5.001 0.333 25974 1506 1 10 . 1 1 46 46 ASP H H 46 8.519 8.519 8.769 -0.250 25974 1507 1 10 . 1 1 47 47 THR N N 47 114.334 114.334 121.895 -7.561 25974 1508 1 10 . 1 1 47 47 THR HA H 47 4.187 4.187 4.400 -0.213 25974 1509 1 10 . 1 1 47 47 THR H H 47 9.116 9.116 8.913 0.203 25974 1510 1 10 . 1 1 48 48 TYR N N 48 124.010 124.010 122.870 1.140 25974 1511 1 10 . 1 1 48 48 TYR HA H 48 4.374 4.374 4.449 -0.075 25974 1512 1 10 . 1 1 48 48 TYR H H 48 8.803 8.803 8.046 0.757 25974 1513 1 10 . 1 1 49 49 ASN N N 49 113.668 113.668 113.774 -0.106 25974 1514 1 10 . 1 1 49 49 ASN HA H 49 4.475 4.475 4.695 -0.220 25974 1515 1 10 . 1 1 49 49 ASN H H 49 7.433 7.433 7.983 -0.550 25974 1516 1 10 . 1 1 50 50 ASN N N 50 117.403 117.403 119.047 -1.644 25974 1517 1 10 . 1 1 50 50 ASN HA H 50 4.199 4.199 4.393 -0.194 25974 1518 1 10 . 1 1 50 50 ASN H H 50 7.863 7.863 8.171 -0.308 25974 1519 1 10 . 1 1 51 51 ALA N N 51 121.102 121.102 122.671 -1.569 25974 1520 1 10 . 1 1 51 51 ALA HA H 51 4.437 4.437 4.697 -0.260 25974 1521 1 10 . 1 1 51 51 ALA H H 51 7.853 7.853 7.651 0.202 25974 1522 1 10 . 1 1 52 52 VAL N N 52 126.326 126.326 122.637 3.689 25974 1523 1 10 . 1 1 52 52 VAL HA H 52 4.875 4.875 4.579 0.296 25974 1524 1 10 . 1 1 52 52 VAL H H 52 8.297 8.297 8.582 -0.285 25974 1525 1 10 . 1 1 53 53 ASP N N 53 125.100 125.100 129.355 -4.255 25974 1526 1 10 . 1 1 53 53 ASP HA H 53 4.795 4.795 4.994 -0.199 25974 1527 1 10 . 1 1 53 53 ASP H H 53 8.519 8.519 8.309 0.210 25974 1528 1 10 . 1 1 54 54 CYS N N 54 126.377 126.377 119.301 7.076 25974 1529 1 10 . 1 1 54 54 CYS HA H 54 4.678 4.678 4.324 0.354 25974 1530 1 10 . 1 1 54 54 CYS H H 54 8.609 8.609 8.117 0.492 25974 1531 1 11 . 1 1 2 2 LYS N N 2 119.918 119.918 120.146 -0.228 25974 1532 1 11 . 1 1 2 2 LYS HA H 2 5.230 5.230 4.658 0.572 25974 1533 1 11 . 1 1 2 2 LYS H H 2 8.167 8.167 7.830 0.337 25974 1534 1 11 . 1 1 3 3 TYR N N 3 122.493 122.493 120.054 2.439 25974 1535 1 11 . 1 1 3 3 TYR HA H 3 4.809 4.809 4.780 0.029 25974 1536 1 11 . 1 1 3 3 TYR H H 3 8.939 8.939 9.102 -0.163 25974 1537 1 11 . 1 1 4 4 THR N N 4 117.297 117.297 116.129 1.168 25974 1538 1 11 . 1 1 4 4 THR HA H 4 5.042 5.042 4.657 0.385 25974 1539 1 11 . 1 1 4 4 THR H H 4 8.885 8.885 8.555 0.330 25974 1540 1 11 . 1 1 5 5 GLY N N 5 115.452 115.452 112.547 2.905 25974 1541 1 11 . 1 1 5 5 GLY H H 5 9.135 9.135 8.990 0.145 25974 1542 1 11 . 1 1 6 6 LYS N N 6 121.001 121.001 117.089 3.912 25974 1543 1 11 . 1 1 6 6 LYS HA H 6 5.378 5.378 5.166 0.212 25974 1544 1 11 . 1 1 6 6 LYS H H 6 8.422 8.422 8.049 0.373 25974 1545 1 11 . 1 1 7 7 CYS N N 7 122.647 122.647 117.384 5.263 25974 1546 1 11 . 1 1 7 7 CYS HA H 7 6.297 6.297 5.225 1.072 25974 1547 1 11 . 1 1 7 7 CYS H H 7 9.767 9.767 8.868 0.899 25974 1548 1 11 . 1 1 8 8 THR N N 8 113.493 113.493 114.399 -0.906 25974 1549 1 11 . 1 1 8 8 THR HA H 8 4.704 4.704 4.818 -0.114 25974 1550 1 11 . 1 1 8 8 THR H H 8 8.716 8.716 8.283 0.433 25974 1551 1 11 . 1 1 9 9 LYS N N 9 127.640 127.640 126.100 1.540 25974 1552 1 11 . 1 1 9 9 LYS HA H 9 3.493 3.493 4.046 -0.553 25974 1553 1 11 . 1 1 9 9 LYS H H 9 8.947 8.947 8.550 0.397 25974 1554 1 11 . 1 1 10 10 SER N N 10 116.726 116.726 115.985 0.741 25974 1555 1 11 . 1 1 10 10 SER HA H 10 4.006 4.006 4.215 -0.209 25974 1556 1 11 . 1 1 10 10 SER H H 10 9.484 9.484 8.126 1.358 25974 1557 1 11 . 1 1 11 11 LYS N N 11 116.973 116.973 118.744 -1.771 25974 1558 1 11 . 1 1 11 11 LYS HA H 11 4.153 4.153 4.372 -0.219 25974 1559 1 11 . 1 1 11 11 LYS H H 11 7.051 7.051 8.058 -1.007 25974 1560 1 11 . 1 1 12 12 ASN N N 12 120.652 120.652 118.677 1.975 25974 1561 1 11 . 1 1 12 12 ASN HA H 12 4.566 4.566 4.439 0.127 25974 1562 1 11 . 1 1 12 12 ASN H H 12 7.590 7.590 8.182 -0.592 25974 1563 1 11 . 1 1 13 13 GLU N N 13 115.322 115.322 124.371 -9.049 25974 1564 1 11 . 1 1 13 13 GLU HA H 13 4.896 4.896 4.331 0.565 25974 1565 1 11 . 1 1 13 13 GLU H H 13 7.290 7.290 8.205 -0.915 25974 1566 1 11 . 1 1 14 14 CYS N N 14 123.345 123.345 124.520 -1.175 25974 1567 1 11 . 1 1 14 14 CYS HA H 14 4.639 4.639 4.705 -0.066 25974 1568 1 11 . 1 1 14 14 CYS H H 14 9.588 9.588 8.704 0.884 25974 1569 1 11 . 1 1 15 15 LYS N N 15 110.722 110.722 129.393 -18.671 25974 1570 1 11 . 1 1 15 15 LYS HA H 15 4.946 4.946 5.123 -0.177 25974 1571 1 11 . 1 1 15 15 LYS H H 15 8.636 8.636 8.996 -0.360 25974 1572 1 11 . 1 1 16 16 TYR N N 16 126.630 126.630 121.124 5.506 25974 1573 1 11 . 1 1 16 16 TYR HA H 16 4.899 4.899 4.896 0.003 25974 1574 1 11 . 1 1 16 16 TYR H H 16 8.998 8.998 8.743 0.255 25974 1575 1 11 . 1 1 17 17 LYS N N 17 120.977 120.977 119.411 1.566 25974 1576 1 11 . 1 1 17 17 LYS HA H 17 4.406 4.406 4.531 -0.125 25974 1577 1 11 . 1 1 17 17 LYS H H 17 8.421 8.421 8.237 0.184 25974 1578 1 11 . 1 1 18 18 ASN N N 18 122.224 122.224 119.877 2.347 25974 1579 1 11 . 1 1 18 18 ASN HA H 18 4.102 4.102 4.479 -0.377 25974 1580 1 11 . 1 1 18 18 ASN H H 18 7.735 7.735 8.187 -0.452 25974 1581 1 11 . 1 1 19 19 ASP N N 19 117.436 117.436 120.979 -3.543 25974 1582 1 11 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.633 -0.249 25974 1583 1 11 . 1 1 19 19 ASP H H 19 8.238 8.238 8.107 0.131 25974 1584 1 11 . 1 1 20 20 ALA N N 20 120.895 120.895 120.555 0.340 25974 1585 1 11 . 1 1 20 20 ALA HA H 20 4.409 4.409 4.083 0.326 25974 1586 1 11 . 1 1 20 20 ALA H H 20 7.419 7.419 7.899 -0.480 25974 1587 1 11 . 1 1 21 21 GLY N N 21 127.668 127.668 104.360 23.308 25974 1588 1 11 . 1 1 21 21 GLY H H 21 8.170 8.170 8.022 0.148 25974 1589 1 11 . 1 1 22 22 LYS N N 22 120.354 120.354 123.239 -2.885 25974 1590 1 11 . 1 1 22 22 LYS HA H 22 4.309 4.309 3.985 0.324 25974 1591 1 11 . 1 1 22 22 LYS H H 22 7.682 7.682 8.013 -0.331 25974 1592 1 11 . 1 1 23 23 ASP N N 23 126.398 126.398 125.625 0.773 25974 1593 1 11 . 1 1 23 23 ASP HA H 23 4.256 4.256 4.499 -0.243 25974 1594 1 11 . 1 1 23 23 ASP H H 23 8.610 8.610 8.129 0.481 25974 1595 1 11 . 1 1 24 24 THR N N 24 122.770 122.770 119.026 3.744 25974 1596 1 11 . 1 1 24 24 THR HA H 24 4.012 4.012 4.122 -0.110 25974 1597 1 11 . 1 1 24 24 THR H H 24 8.782 8.782 7.965 0.817 25974 1598 1 11 . 1 1 25 25 PHE N N 25 122.423 122.423 123.318 -0.895 25974 1599 1 11 . 1 1 25 25 PHE HA H 25 5.404 5.404 5.034 0.370 25974 1600 1 11 . 1 1 25 25 PHE H H 25 8.328 8.328 8.167 0.161 25974 1601 1 11 . 1 1 26 26 ILE N N 26 123.029 123.029 123.336 -0.307 25974 1602 1 11 . 1 1 26 26 ILE HA H 26 4.614 4.614 4.526 0.088 25974 1603 1 11 . 1 1 26 26 ILE H H 26 9.138 9.138 8.700 0.438 25974 1604 1 11 . 1 1 27 27 LYS N N 27 127.077 127.077 128.376 -1.299 25974 1605 1 11 . 1 1 27 27 LYS HA H 27 4.163 4.163 4.217 -0.054 25974 1606 1 11 . 1 1 27 27 LYS H H 27 8.335 8.335 8.377 -0.042 25974 1607 1 11 . 1 1 28 28 CYS N N 28 120.248 120.248 120.739 -0.491 25974 1608 1 11 . 1 1 28 28 CYS HA H 28 4.659 4.659 4.738 -0.079 25974 1609 1 11 . 1 1 28 28 CYS H H 28 8.618 8.618 8.557 0.061 25974 1610 1 11 . 1 1 29 29 PRO HA H 29 4.426 4.426 4.313 0.113 25974 1611 1 11 . 1 1 30 30 LYS N N 30 115.643 115.643 119.186 -3.543 25974 1612 1 11 . 1 1 30 30 LYS HA H 30 3.949 3.949 3.819 0.130 25974 1613 1 11 . 1 1 30 30 LYS H H 30 8.002 8.002 8.270 -0.268 25974 1614 1 11 . 1 1 31 31 PHE N N 31 116.470 116.470 115.617 0.853 25974 1615 1 11 . 1 1 31 31 PHE HA H 31 4.504 4.504 4.762 -0.258 25974 1616 1 11 . 1 1 31 31 PHE H H 31 6.308 6.308 7.812 -1.504 25974 1617 1 11 . 1 1 32 32 ASP HA H 32 4.144 4.144 4.543 -0.399 25974 1618 1 11 . 1 1 33 33 ASN N N 33 113.110 113.110 115.709 -2.599 25974 1619 1 11 . 1 1 33 33 ASN HA H 33 4.673 4.673 4.889 -0.216 25974 1620 1 11 . 1 1 33 33 ASN H H 33 8.564 8.564 8.399 0.165 25974 1621 1 11 . 1 1 34 34 LYS N N 34 120.347 120.347 118.226 2.121 25974 1622 1 11 . 1 1 34 34 LYS HA H 34 4.984 4.984 4.513 0.471 25974 1623 1 11 . 1 1 34 34 LYS H H 34 7.914 7.914 7.618 0.296 25974 1624 1 11 . 1 1 35 35 LYS N N 35 117.863 117.863 118.194 -0.331 25974 1625 1 11 . 1 1 35 35 LYS HA H 35 4.608 4.608 4.292 0.316 25974 1626 1 11 . 1 1 35 35 LYS H H 35 7.005 7.005 7.780 -0.775 25974 1627 1 11 . 1 1 36 36 CYS N N 36 118.915 118.915 121.133 -2.218 25974 1628 1 11 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.343 0.514 25974 1629 1 11 . 1 1 36 36 CYS H H 36 8.817 8.817 8.588 0.229 25974 1630 1 11 . 1 1 37 37 THR N N 37 121.008 121.008 116.046 4.962 25974 1631 1 11 . 1 1 37 37 THR HA H 37 4.300 4.300 4.431 -0.131 25974 1632 1 11 . 1 1 37 37 THR H H 37 9.980 9.980 8.505 1.475 25974 1633 1 11 . 1 1 38 38 LYS N N 38 122.326 122.326 121.448 0.878 25974 1634 1 11 . 1 1 38 38 LYS HA H 38 4.137 4.137 4.472 -0.335 25974 1635 1 11 . 1 1 38 38 LYS H H 38 7.287 7.287 7.577 -0.290 25974 1636 1 11 . 1 1 39 39 ASP N N 39 125.238 125.238 120.081 5.157 25974 1637 1 11 . 1 1 39 39 ASP HA H 39 4.578 4.578 4.577 0.001 25974 1638 1 11 . 1 1 39 39 ASP H H 39 8.817 8.817 8.413 0.404 25974 1639 1 11 . 1 1 40 40 ASN N N 40 114.713 114.713 120.158 -5.445 25974 1640 1 11 . 1 1 40 40 ASN HA H 40 4.272 4.272 4.269 0.003 25974 1641 1 11 . 1 1 40 40 ASN H H 40 9.532 9.532 8.757 0.775 25974 1642 1 11 . 1 1 41 41 ASN N N 41 120.080 120.080 116.130 3.950 25974 1643 1 11 . 1 1 41 41 ASN HA H 41 4.717 4.717 4.616 0.101 25974 1644 1 11 . 1 1 41 41 ASN H H 41 7.742 7.742 7.846 -0.104 25974 1645 1 11 . 1 1 42 42 LYS N N 42 118.956 118.956 121.483 -2.527 25974 1646 1 11 . 1 1 42 42 LYS HA H 42 4.346 4.346 4.513 -0.167 25974 1647 1 11 . 1 1 42 42 LYS H H 42 8.397 8.397 8.081 0.317 25974 1648 1 11 . 1 1 43 43 CYS N N 43 112.235 112.235 122.138 -9.903 25974 1649 1 11 . 1 1 43 43 CYS HA H 43 5.335 5.335 5.409 -0.074 25974 1650 1 11 . 1 1 43 43 CYS H H 43 7.397 7.397 8.752 -1.355 25974 1651 1 11 . 1 1 44 44 THR N N 44 112.586 112.586 115.377 -2.791 25974 1652 1 11 . 1 1 44 44 THR HA H 44 5.221 5.221 5.110 0.111 25974 1653 1 11 . 1 1 44 44 THR H H 44 8.674 8.674 8.367 0.307 25974 1654 1 11 . 1 1 45 45 VAL N N 45 121.814 121.814 123.953 -2.139 25974 1655 1 11 . 1 1 45 45 VAL HA H 45 4.430 4.430 4.245 0.185 25974 1656 1 11 . 1 1 45 45 VAL H H 45 8.555 8.555 8.814 -0.259 25974 1657 1 11 . 1 1 46 46 ASP N N 46 126.626 126.626 127.153 -0.527 25974 1658 1 11 . 1 1 46 46 ASP HA H 46 5.334 5.334 5.018 0.316 25974 1659 1 11 . 1 1 46 46 ASP H H 46 8.519 8.519 8.905 -0.386 25974 1660 1 11 . 1 1 47 47 THR N N 47 114.334 114.334 120.661 -6.327 25974 1661 1 11 . 1 1 47 47 THR HA H 47 4.187 4.187 4.468 -0.281 25974 1662 1 11 . 1 1 47 47 THR H H 47 9.116 9.116 8.774 0.342 25974 1663 1 11 . 1 1 48 48 TYR N N 48 124.010 124.010 120.854 3.156 25974 1664 1 11 . 1 1 48 48 TYR HA H 48 4.374 4.374 4.691 -0.317 25974 1665 1 11 . 1 1 48 48 TYR H H 48 8.803 8.803 8.066 0.737 25974 1666 1 11 . 1 1 49 49 ASN N N 49 113.668 113.668 115.029 -1.361 25974 1667 1 11 . 1 1 49 49 ASN HA H 49 4.475 4.475 4.669 -0.194 25974 1668 1 11 . 1 1 49 49 ASN H H 49 7.433 7.433 8.077 -0.644 25974 1669 1 11 . 1 1 50 50 ASN N N 50 117.403 117.403 117.399 0.004 25974 1670 1 11 . 1 1 50 50 ASN HA H 50 4.199 4.199 4.285 -0.086 25974 1671 1 11 . 1 1 50 50 ASN H H 50 7.863 7.863 8.122 -0.259 25974 1672 1 11 . 1 1 51 51 ALA N N 51 121.102 121.102 120.251 0.851 25974 1673 1 11 . 1 1 51 51 ALA HA H 51 4.437 4.437 4.529 -0.092 25974 1674 1 11 . 1 1 51 51 ALA H H 51 7.853 7.853 7.853 -0.000 25974 1675 1 11 . 1 1 52 52 VAL N N 52 126.326 126.326 118.369 7.957 25974 1676 1 11 . 1 1 52 52 VAL HA H 52 4.875 4.875 5.134 -0.259 25974 1677 1 11 . 1 1 52 52 VAL H H 52 8.297 8.297 8.218 0.079 25974 1678 1 11 . 1 1 53 53 ASP N N 53 125.100 125.100 128.582 -3.482 25974 1679 1 11 . 1 1 53 53 ASP HA H 53 4.795 4.795 5.080 -0.285 25974 1680 1 11 . 1 1 53 53 ASP H H 53 8.519 8.519 8.701 -0.182 25974 1681 1 11 . 1 1 54 54 CYS N N 54 126.377 126.377 119.364 7.013 25974 1682 1 11 . 1 1 54 54 CYS HA H 54 4.678 4.678 4.345 0.333 25974 1683 1 11 . 1 1 54 54 CYS H H 54 8.609 8.609 7.994 0.615 25974 1684 1 12 . 1 1 2 2 LYS N N 2 119.918 119.918 120.948 -1.030 25974 1685 1 12 . 1 1 2 2 LYS HA H 2 5.230 5.230 4.620 0.610 25974 1686 1 12 . 1 1 2 2 LYS H H 2 8.167 8.167 7.857 0.310 25974 1687 1 12 . 1 1 3 3 TYR N N 3 122.493 122.493 126.328 -3.835 25974 1688 1 12 . 1 1 3 3 TYR HA H 3 4.809 4.809 4.674 0.135 25974 1689 1 12 . 1 1 3 3 TYR H H 3 8.939 8.939 8.888 0.051 25974 1690 1 12 . 1 1 4 4 THR N N 4 117.297 117.297 115.743 1.554 25974 1691 1 12 . 1 1 4 4 THR HA H 4 5.042 5.042 4.583 0.459 25974 1692 1 12 . 1 1 4 4 THR H H 4 8.885 8.885 8.500 0.385 25974 1693 1 12 . 1 1 5 5 GLY N N 5 115.452 115.452 112.781 2.671 25974 1694 1 12 . 1 1 5 5 GLY H H 5 9.135 9.135 9.071 0.064 25974 1695 1 12 . 1 1 6 6 LYS N N 6 121.001 121.001 116.908 4.093 25974 1696 1 12 . 1 1 6 6 LYS HA H 6 5.378 5.378 5.133 0.245 25974 1697 1 12 . 1 1 6 6 LYS H H 6 8.422 8.422 8.118 0.304 25974 1698 1 12 . 1 1 7 7 CYS N N 7 122.647 122.647 118.193 4.454 25974 1699 1 12 . 1 1 7 7 CYS HA H 7 6.297 6.297 5.217 1.080 25974 1700 1 12 . 1 1 7 7 CYS H H 7 9.767 9.767 8.622 1.145 25974 1701 1 12 . 1 1 8 8 THR N N 8 113.493 113.493 114.818 -1.325 25974 1702 1 12 . 1 1 8 8 THR HA H 8 4.704 4.704 4.699 0.005 25974 1703 1 12 . 1 1 8 8 THR H H 8 8.716 8.716 8.578 0.138 25974 1704 1 12 . 1 1 9 9 LYS N N 9 127.640 127.640 126.176 1.464 25974 1705 1 12 . 1 1 9 9 LYS HA H 9 3.493 3.493 3.993 -0.500 25974 1706 1 12 . 1 1 9 9 LYS H H 9 8.947 8.947 8.756 0.191 25974 1707 1 12 . 1 1 10 10 SER N N 10 116.726 116.726 116.293 0.433 25974 1708 1 12 . 1 1 10 10 SER HA H 10 4.006 4.006 4.210 -0.204 25974 1709 1 12 . 1 1 10 10 SER H H 10 9.484 9.484 8.250 1.234 25974 1710 1 12 . 1 1 11 11 LYS N N 11 116.973 116.973 118.372 -1.399 25974 1711 1 12 . 1 1 11 11 LYS HA H 11 4.153 4.153 4.439 -0.286 25974 1712 1 12 . 1 1 11 11 LYS H H 11 7.051 7.051 7.832 -0.781 25974 1713 1 12 . 1 1 12 12 ASN N N 12 120.652 120.652 120.448 0.204 25974 1714 1 12 . 1 1 12 12 ASN HA H 12 4.566 4.566 4.285 0.281 25974 1715 1 12 . 1 1 12 12 ASN H H 12 7.590 7.590 8.504 -0.914 25974 1716 1 12 . 1 1 13 13 GLU N N 13 115.322 115.322 123.987 -8.665 25974 1717 1 12 . 1 1 13 13 GLU HA H 13 4.896 4.896 4.330 0.566 25974 1718 1 12 . 1 1 13 13 GLU H H 13 7.290 7.290 8.554 -1.264 25974 1719 1 12 . 1 1 14 14 CYS N N 14 123.345 123.345 125.826 -2.481 25974 1720 1 12 . 1 1 14 14 CYS HA H 14 4.639 4.639 5.200 -0.561 25974 1721 1 12 . 1 1 14 14 CYS H H 14 9.588 9.588 8.700 0.888 25974 1722 1 12 . 1 1 15 15 LYS N N 15 110.722 110.722 127.699 -16.977 25974 1723 1 12 . 1 1 15 15 LYS HA H 15 4.946 4.946 5.238 -0.292 25974 1724 1 12 . 1 1 15 15 LYS H H 15 8.636 8.636 8.516 0.120 25974 1725 1 12 . 1 1 16 16 TYR N N 16 126.630 126.630 120.328 6.302 25974 1726 1 12 . 1 1 16 16 TYR HA H 16 4.899 4.899 4.869 0.030 25974 1727 1 12 . 1 1 16 16 TYR H H 16 8.998 8.998 8.084 0.914 25974 1728 1 12 . 1 1 17 17 LYS N N 17 120.977 120.977 118.462 2.515 25974 1729 1 12 . 1 1 17 17 LYS HA H 17 4.406 4.406 4.486 -0.080 25974 1730 1 12 . 1 1 17 17 LYS H H 17 8.421 8.421 8.260 0.161 25974 1731 1 12 . 1 1 18 18 ASN N N 18 122.224 122.224 119.373 2.851 25974 1732 1 12 . 1 1 18 18 ASN HA H 18 4.102 4.102 4.325 -0.223 25974 1733 1 12 . 1 1 18 18 ASN H H 18 7.735 7.735 7.947 -0.212 25974 1734 1 12 . 1 1 19 19 ASP N N 19 117.436 117.436 121.847 -4.411 25974 1735 1 12 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.439 -0.055 25974 1736 1 12 . 1 1 19 19 ASP H H 19 8.238 8.238 8.599 -0.361 25974 1737 1 12 . 1 1 20 20 ALA N N 20 120.895 120.895 121.213 -0.318 25974 1738 1 12 . 1 1 20 20 ALA HA H 20 4.409 4.409 4.468 -0.059 25974 1739 1 12 . 1 1 20 20 ALA H H 20 7.419 7.419 8.085 -0.666 25974 1740 1 12 . 1 1 21 21 GLY N N 21 127.668 127.668 106.875 20.793 25974 1741 1 12 . 1 1 21 21 GLY H H 21 8.170 8.170 8.138 0.032 25974 1742 1 12 . 1 1 22 22 LYS N N 22 120.354 120.354 121.648 -1.294 25974 1743 1 12 . 1 1 22 22 LYS HA H 22 4.309 4.309 3.989 0.320 25974 1744 1 12 . 1 1 22 22 LYS H H 22 7.682 7.682 7.915 -0.233 25974 1745 1 12 . 1 1 23 23 ASP N N 23 126.398 126.398 125.384 1.014 25974 1746 1 12 . 1 1 23 23 ASP HA H 23 4.256 4.256 4.656 -0.400 25974 1747 1 12 . 1 1 23 23 ASP H H 23 8.610 8.610 8.137 0.473 25974 1748 1 12 . 1 1 24 24 THR N N 24 122.770 122.770 119.907 2.863 25974 1749 1 12 . 1 1 24 24 THR HA H 24 4.012 4.012 4.204 -0.192 25974 1750 1 12 . 1 1 24 24 THR H H 24 8.782 8.782 8.052 0.730 25974 1751 1 12 . 1 1 25 25 PHE N N 25 122.423 122.423 127.536 -5.113 25974 1752 1 12 . 1 1 25 25 PHE HA H 25 5.404 5.404 4.634 0.770 25974 1753 1 12 . 1 1 25 25 PHE H H 25 8.328 8.328 8.140 0.188 25974 1754 1 12 . 1 1 26 26 ILE N N 26 123.029 123.029 126.060 -3.031 25974 1755 1 12 . 1 1 26 26 ILE HA H 26 4.614 4.614 4.611 0.003 25974 1756 1 12 . 1 1 26 26 ILE H H 26 9.138 9.138 9.199 -0.061 25974 1757 1 12 . 1 1 27 27 LYS N N 27 127.077 127.077 128.284 -1.207 25974 1758 1 12 . 1 1 27 27 LYS HA H 27 4.163 4.163 4.255 -0.092 25974 1759 1 12 . 1 1 27 27 LYS H H 27 8.335 8.335 8.432 -0.097 25974 1760 1 12 . 1 1 28 28 CYS N N 28 120.248 120.248 119.114 1.134 25974 1761 1 12 . 1 1 28 28 CYS HA H 28 4.659 4.659 4.797 -0.138 25974 1762 1 12 . 1 1 28 28 CYS H H 28 8.618 8.618 8.777 -0.159 25974 1763 1 12 . 1 1 29 29 PRO HA H 29 4.426 4.426 4.520 -0.094 25974 1764 1 12 . 1 1 30 30 LYS N N 30 115.643 115.643 119.397 -3.754 25974 1765 1 12 . 1 1 30 30 LYS HA H 30 3.949 3.949 3.836 0.113 25974 1766 1 12 . 1 1 30 30 LYS H H 30 8.002 8.002 8.146 -0.144 25974 1767 1 12 . 1 1 31 31 PHE N N 31 116.470 116.470 115.972 0.498 25974 1768 1 12 . 1 1 31 31 PHE HA H 31 4.504 4.504 4.771 -0.268 25974 1769 1 12 . 1 1 31 31 PHE H H 31 6.308 6.308 7.624 -1.316 25974 1770 1 12 . 1 1 32 32 ASP HA H 32 4.144 4.144 4.584 -0.440 25974 1771 1 12 . 1 1 33 33 ASN N N 33 113.110 113.110 115.557 -2.447 25974 1772 1 12 . 1 1 33 33 ASN HA H 33 4.673 4.673 4.874 -0.201 25974 1773 1 12 . 1 1 33 33 ASN H H 33 8.564 8.564 8.378 0.186 25974 1774 1 12 . 1 1 34 34 LYS N N 34 120.347 120.347 118.976 1.371 25974 1775 1 12 . 1 1 34 34 LYS HA H 34 4.984 4.984 4.467 0.517 25974 1776 1 12 . 1 1 34 34 LYS H H 34 7.914 7.914 7.581 0.333 25974 1777 1 12 . 1 1 35 35 LYS N N 35 117.863 117.863 118.284 -0.421 25974 1778 1 12 . 1 1 35 35 LYS HA H 35 4.608 4.608 4.295 0.313 25974 1779 1 12 . 1 1 35 35 LYS H H 35 7.005 7.005 7.760 -0.755 25974 1780 1 12 . 1 1 36 36 CYS N N 36 118.915 118.915 118.151 0.764 25974 1781 1 12 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.610 0.247 25974 1782 1 12 . 1 1 36 36 CYS H H 36 8.817 8.817 8.878 -0.061 25974 1783 1 12 . 1 1 37 37 THR N N 37 121.008 121.008 111.406 9.602 25974 1784 1 12 . 1 1 37 37 THR HA H 37 4.300 4.300 4.366 -0.066 25974 1785 1 12 . 1 1 37 37 THR H H 37 9.980 9.980 8.423 1.557 25974 1786 1 12 . 1 1 38 38 LYS N N 38 122.326 122.326 121.015 1.311 25974 1787 1 12 . 1 1 38 38 LYS HA H 38 4.137 4.137 4.482 -0.345 25974 1788 1 12 . 1 1 38 38 LYS H H 38 7.287 7.287 7.632 -0.345 25974 1789 1 12 . 1 1 39 39 ASP N N 39 125.238 125.238 121.748 3.490 25974 1790 1 12 . 1 1 39 39 ASP HA H 39 4.578 4.578 4.553 0.025 25974 1791 1 12 . 1 1 39 39 ASP H H 39 8.817 8.817 8.536 0.281 25974 1792 1 12 . 1 1 40 40 ASN N N 40 114.713 114.713 121.763 -7.050 25974 1793 1 12 . 1 1 40 40 ASN HA H 40 4.272 4.272 4.304 -0.032 25974 1794 1 12 . 1 1 40 40 ASN H H 40 9.532 9.532 8.907 0.625 25974 1795 1 12 . 1 1 41 41 ASN N N 41 120.080 120.080 115.960 4.120 25974 1796 1 12 . 1 1 41 41 ASN HA H 41 4.717 4.717 4.690 0.027 25974 1797 1 12 . 1 1 41 41 ASN H H 41 7.742 7.742 7.933 -0.191 25974 1798 1 12 . 1 1 42 42 LYS N N 42 118.956 118.956 119.476 -0.520 25974 1799 1 12 . 1 1 42 42 LYS HA H 42 4.346 4.346 4.529 -0.183 25974 1800 1 12 . 1 1 42 42 LYS H H 42 8.397 8.397 8.306 0.091 25974 1801 1 12 . 1 1 43 43 CYS N N 43 112.235 112.235 120.060 -7.825 25974 1802 1 12 . 1 1 43 43 CYS HA H 43 5.335 5.335 5.361 -0.026 25974 1803 1 12 . 1 1 43 43 CYS H H 43 7.397 7.397 8.553 -1.155 25974 1804 1 12 . 1 1 44 44 THR N N 44 112.586 112.586 115.591 -3.005 25974 1805 1 12 . 1 1 44 44 THR HA H 44 5.221 5.221 5.016 0.205 25974 1806 1 12 . 1 1 44 44 THR H H 44 8.674 8.674 8.289 0.385 25974 1807 1 12 . 1 1 45 45 VAL N N 45 121.814 121.814 124.365 -2.551 25974 1808 1 12 . 1 1 45 45 VAL HA H 45 4.430 4.430 4.083 0.347 25974 1809 1 12 . 1 1 45 45 VAL H H 45 8.555 8.555 8.116 0.439 25974 1810 1 12 . 1 1 46 46 ASP N N 46 126.626 126.626 126.728 -0.102 25974 1811 1 12 . 1 1 46 46 ASP HA H 46 5.334 5.334 5.491 -0.157 25974 1812 1 12 . 1 1 46 46 ASP H H 46 8.519 8.519 8.769 -0.250 25974 1813 1 12 . 1 1 47 47 THR N N 47 114.334 114.334 118.483 -4.149 25974 1814 1 12 . 1 1 47 47 THR HA H 47 4.187 4.187 4.122 0.065 25974 1815 1 12 . 1 1 47 47 THR H H 47 9.116 9.116 8.495 0.621 25974 1816 1 12 . 1 1 48 48 TYR N N 48 124.010 124.010 122.929 1.081 25974 1817 1 12 . 1 1 48 48 TYR HA H 48 4.374 4.374 4.277 0.097 25974 1818 1 12 . 1 1 48 48 TYR H H 48 8.803 8.803 8.199 0.604 25974 1819 1 12 . 1 1 49 49 ASN N N 49 113.668 113.668 112.595 1.073 25974 1820 1 12 . 1 1 49 49 ASN HA H 49 4.475 4.475 4.576 -0.101 25974 1821 1 12 . 1 1 49 49 ASN H H 49 7.433 7.433 7.598 -0.165 25974 1822 1 12 . 1 1 50 50 ASN N N 50 117.403 117.403 117.525 -0.122 25974 1823 1 12 . 1 1 50 50 ASN HA H 50 4.199 4.199 4.338 -0.139 25974 1824 1 12 . 1 1 50 50 ASN H H 50 7.863 7.863 7.924 -0.061 25974 1825 1 12 . 1 1 51 51 ALA N N 51 121.102 121.102 123.084 -1.982 25974 1826 1 12 . 1 1 51 51 ALA HA H 51 4.437 4.437 4.400 0.037 25974 1827 1 12 . 1 1 51 51 ALA H H 51 7.853 7.853 7.674 0.179 25974 1828 1 12 . 1 1 52 52 VAL N N 52 126.326 126.326 121.647 4.679 25974 1829 1 12 . 1 1 52 52 VAL HA H 52 4.875 4.875 4.372 0.503 25974 1830 1 12 . 1 1 52 52 VAL H H 52 8.297 8.297 8.114 0.183 25974 1831 1 12 . 1 1 53 53 ASP N N 53 125.100 125.100 126.656 -1.556 25974 1832 1 12 . 1 1 53 53 ASP HA H 53 4.795 4.795 5.192 -0.397 25974 1833 1 12 . 1 1 53 53 ASP H H 53 8.519 8.519 8.329 0.190 25974 1834 1 12 . 1 1 54 54 CYS N N 54 126.377 126.377 118.820 7.557 25974 1835 1 12 . 1 1 54 54 CYS HA H 54 4.678 4.678 4.298 0.380 25974 1836 1 12 . 1 1 54 54 CYS H H 54 8.609 8.609 8.094 0.515 25974 1837 1 13 . 1 1 2 2 LYS N N 2 119.918 119.918 121.940 -2.022 25974 1838 1 13 . 1 1 2 2 LYS HA H 2 5.230 5.230 4.389 0.841 25974 1839 1 13 . 1 1 2 2 LYS H H 2 8.167 8.167 7.864 0.303 25974 1840 1 13 . 1 1 3 3 TYR N N 3 122.493 122.493 123.506 -1.013 25974 1841 1 13 . 1 1 3 3 TYR HA H 3 4.809 4.809 4.769 0.040 25974 1842 1 13 . 1 1 3 3 TYR H H 3 8.939 8.939 8.556 0.383 25974 1843 1 13 . 1 1 4 4 THR N N 4 117.297 117.297 116.807 0.490 25974 1844 1 13 . 1 1 4 4 THR HA H 4 5.042 5.042 4.669 0.373 25974 1845 1 13 . 1 1 4 4 THR H H 4 8.885 8.885 8.621 0.264 25974 1846 1 13 . 1 1 5 5 GLY N N 5 115.452 115.452 112.547 2.905 25974 1847 1 13 . 1 1 5 5 GLY H H 5 9.135 9.135 9.266 -0.131 25974 1848 1 13 . 1 1 6 6 LYS N N 6 121.001 121.001 116.965 4.036 25974 1849 1 13 . 1 1 6 6 LYS HA H 6 5.378 5.378 5.215 0.163 25974 1850 1 13 . 1 1 6 6 LYS H H 6 8.422 8.422 8.121 0.301 25974 1851 1 13 . 1 1 7 7 CYS N N 7 122.647 122.647 115.498 7.149 25974 1852 1 13 . 1 1 7 7 CYS HA H 7 6.297 6.297 5.212 1.085 25974 1853 1 13 . 1 1 7 7 CYS H H 7 9.767 9.767 8.633 1.134 25974 1854 1 13 . 1 1 8 8 THR N N 8 113.493 113.493 114.975 -1.482 25974 1855 1 13 . 1 1 8 8 THR HA H 8 4.704 4.704 4.861 -0.157 25974 1856 1 13 . 1 1 8 8 THR H H 8 8.716 8.716 8.178 0.538 25974 1857 1 13 . 1 1 9 9 LYS N N 9 127.640 127.640 126.510 1.130 25974 1858 1 13 . 1 1 9 9 LYS HA H 9 3.493 3.493 4.053 -0.560 25974 1859 1 13 . 1 1 9 9 LYS H H 9 8.947 8.947 8.682 0.265 25974 1860 1 13 . 1 1 10 10 SER N N 10 116.726 116.726 115.349 1.377 25974 1861 1 13 . 1 1 10 10 SER HA H 10 4.006 4.006 4.230 -0.224 25974 1862 1 13 . 1 1 10 10 SER H H 10 9.484 9.484 8.065 1.419 25974 1863 1 13 . 1 1 11 11 LYS N N 11 116.973 116.973 118.749 -1.776 25974 1864 1 13 . 1 1 11 11 LYS HA H 11 4.153 4.153 4.460 -0.307 25974 1865 1 13 . 1 1 11 11 LYS H H 11 7.051 7.051 8.199 -1.148 25974 1866 1 13 . 1 1 12 12 ASN N N 12 120.652 120.652 118.250 2.402 25974 1867 1 13 . 1 1 12 12 ASN HA H 12 4.566 4.566 4.511 0.055 25974 1868 1 13 . 1 1 12 12 ASN H H 12 7.590 7.590 8.093 -0.503 25974 1869 1 13 . 1 1 13 13 GLU N N 13 115.322 115.322 122.976 -7.654 25974 1870 1 13 . 1 1 13 13 GLU HA H 13 4.896 4.896 4.384 0.512 25974 1871 1 13 . 1 1 13 13 GLU H H 13 7.290 7.290 8.381 -1.091 25974 1872 1 13 . 1 1 14 14 CYS N N 14 123.345 123.345 125.040 -1.695 25974 1873 1 13 . 1 1 14 14 CYS HA H 14 4.639 4.639 4.724 -0.085 25974 1874 1 13 . 1 1 14 14 CYS H H 14 9.588 9.588 8.785 0.803 25974 1875 1 13 . 1 1 15 15 LYS N N 15 110.722 110.722 128.870 -18.148 25974 1876 1 13 . 1 1 15 15 LYS HA H 15 4.946 4.946 5.482 -0.536 25974 1877 1 13 . 1 1 15 15 LYS H H 15 8.636 8.636 8.709 -0.073 25974 1878 1 13 . 1 1 16 16 TYR N N 16 126.630 126.630 119.227 7.403 25974 1879 1 13 . 1 1 16 16 TYR HA H 16 4.899 4.899 4.853 0.046 25974 1880 1 13 . 1 1 16 16 TYR H H 16 8.998 8.998 8.783 0.215 25974 1881 1 13 . 1 1 17 17 LYS N N 17 120.977 120.977 117.952 3.025 25974 1882 1 13 . 1 1 17 17 LYS HA H 17 4.406 4.406 4.613 -0.207 25974 1883 1 13 . 1 1 17 17 LYS H H 17 8.421 8.421 8.105 0.316 25974 1884 1 13 . 1 1 18 18 ASN N N 18 122.224 122.224 118.553 3.671 25974 1885 1 13 . 1 1 18 18 ASN HA H 18 4.102 4.102 4.451 -0.349 25974 1886 1 13 . 1 1 18 18 ASN H H 18 7.735 7.735 7.926 -0.191 25974 1887 1 13 . 1 1 19 19 ASP N N 19 117.436 117.436 121.484 -4.048 25974 1888 1 13 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.590 -0.206 25974 1889 1 13 . 1 1 19 19 ASP H H 19 8.238 8.238 8.003 0.235 25974 1890 1 13 . 1 1 20 20 ALA N N 20 120.895 120.895 120.163 0.732 25974 1891 1 13 . 1 1 20 20 ALA HA H 20 4.409 4.409 4.089 0.320 25974 1892 1 13 . 1 1 20 20 ALA H H 20 7.419 7.419 7.831 -0.412 25974 1893 1 13 . 1 1 21 21 GLY N N 21 127.668 127.668 104.001 23.667 25974 1894 1 13 . 1 1 21 21 GLY H H 21 8.170 8.170 8.001 0.169 25974 1895 1 13 . 1 1 22 22 LYS N N 22 120.354 120.354 123.510 -3.156 25974 1896 1 13 . 1 1 22 22 LYS HA H 22 4.309 4.309 4.033 0.276 25974 1897 1 13 . 1 1 22 22 LYS H H 22 7.682 7.682 7.950 -0.268 25974 1898 1 13 . 1 1 23 23 ASP N N 23 126.398 126.398 124.199 2.199 25974 1899 1 13 . 1 1 23 23 ASP HA H 23 4.256 4.256 4.440 -0.184 25974 1900 1 13 . 1 1 23 23 ASP H H 23 8.610 8.610 8.067 0.543 25974 1901 1 13 . 1 1 24 24 THR N N 24 122.770 122.770 118.623 4.147 25974 1902 1 13 . 1 1 24 24 THR HA H 24 4.012 4.012 4.179 -0.167 25974 1903 1 13 . 1 1 24 24 THR H H 24 8.782 8.782 7.938 0.844 25974 1904 1 13 . 1 1 25 25 PHE N N 25 122.423 122.423 125.830 -3.407 25974 1905 1 13 . 1 1 25 25 PHE HA H 25 5.404 5.404 4.657 0.747 25974 1906 1 13 . 1 1 25 25 PHE H H 25 8.328 8.328 8.282 0.046 25974 1907 1 13 . 1 1 26 26 ILE N N 26 123.029 123.029 125.728 -2.699 25974 1908 1 13 . 1 1 26 26 ILE HA H 26 4.614 4.614 4.574 0.040 25974 1909 1 13 . 1 1 26 26 ILE H H 26 9.138 9.138 8.908 0.230 25974 1910 1 13 . 1 1 27 27 LYS N N 27 127.077 127.077 127.730 -0.653 25974 1911 1 13 . 1 1 27 27 LYS HA H 27 4.163 4.163 4.326 -0.163 25974 1912 1 13 . 1 1 27 27 LYS H H 27 8.335 8.335 8.383 -0.048 25974 1913 1 13 . 1 1 28 28 CYS N N 28 120.248 120.248 120.520 -0.272 25974 1914 1 13 . 1 1 28 28 CYS HA H 28 4.659 4.659 4.734 -0.075 25974 1915 1 13 . 1 1 28 28 CYS H H 28 8.618 8.618 8.567 0.051 25974 1916 1 13 . 1 1 29 29 PRO HA H 29 4.426 4.426 4.665 -0.239 25974 1917 1 13 . 1 1 30 30 LYS N N 30 115.643 115.643 117.813 -2.170 25974 1918 1 13 . 1 1 30 30 LYS HA H 30 3.949 3.949 3.825 0.124 25974 1919 1 13 . 1 1 30 30 LYS H H 30 8.002 8.002 8.181 -0.179 25974 1920 1 13 . 1 1 31 31 PHE N N 31 116.470 116.470 115.103 1.367 25974 1921 1 13 . 1 1 31 31 PHE HA H 31 4.504 4.504 4.598 -0.094 25974 1922 1 13 . 1 1 31 31 PHE H H 31 6.308 6.308 7.626 -1.318 25974 1923 1 13 . 1 1 32 32 ASP HA H 32 4.144 4.144 4.296 -0.152 25974 1924 1 13 . 1 1 33 33 ASN N N 33 113.110 113.110 115.304 -2.194 25974 1925 1 13 . 1 1 33 33 ASN HA H 33 4.673 4.673 4.814 -0.141 25974 1926 1 13 . 1 1 33 33 ASN H H 33 8.564 8.564 8.702 -0.138 25974 1927 1 13 . 1 1 34 34 LYS N N 34 120.347 120.347 119.838 0.509 25974 1928 1 13 . 1 1 34 34 LYS HA H 34 4.984 4.984 4.339 0.645 25974 1929 1 13 . 1 1 34 34 LYS H H 34 7.914 7.914 8.235 -0.321 25974 1930 1 13 . 1 1 35 35 LYS N N 35 117.863 117.863 117.716 0.147 25974 1931 1 13 . 1 1 35 35 LYS HA H 35 4.608 4.608 4.215 0.393 25974 1932 1 13 . 1 1 35 35 LYS H H 35 7.005 7.005 7.610 -0.605 25974 1933 1 13 . 1 1 36 36 CYS N N 36 118.915 118.915 120.387 -1.472 25974 1934 1 13 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.415 0.442 25974 1935 1 13 . 1 1 36 36 CYS H H 36 8.817 8.817 8.689 0.128 25974 1936 1 13 . 1 1 37 37 THR N N 37 121.008 121.008 115.446 5.562 25974 1937 1 13 . 1 1 37 37 THR HA H 37 4.300 4.300 4.486 -0.186 25974 1938 1 13 . 1 1 37 37 THR H H 37 9.980 9.980 8.710 1.270 25974 1939 1 13 . 1 1 38 38 LYS N N 38 122.326 122.326 120.980 1.346 25974 1940 1 13 . 1 1 38 38 LYS HA H 38 4.137 4.137 4.512 -0.375 25974 1941 1 13 . 1 1 38 38 LYS H H 38 7.287 7.287 7.560 -0.273 25974 1942 1 13 . 1 1 39 39 ASP N N 39 125.238 125.238 119.941 5.297 25974 1943 1 13 . 1 1 39 39 ASP HA H 39 4.578 4.578 4.617 -0.039 25974 1944 1 13 . 1 1 39 39 ASP H H 39 8.817 8.817 8.419 0.398 25974 1945 1 13 . 1 1 40 40 ASN N N 40 114.713 114.713 119.884 -5.171 25974 1946 1 13 . 1 1 40 40 ASN HA H 40 4.272 4.272 4.238 0.034 25974 1947 1 13 . 1 1 40 40 ASN H H 40 9.532 9.532 8.987 0.545 25974 1948 1 13 . 1 1 41 41 ASN N N 41 120.080 120.080 115.908 4.172 25974 1949 1 13 . 1 1 41 41 ASN HA H 41 4.717 4.717 4.573 0.144 25974 1950 1 13 . 1 1 41 41 ASN H H 41 7.742 7.742 7.743 -0.001 25974 1951 1 13 . 1 1 42 42 LYS N N 42 118.956 118.956 121.808 -2.852 25974 1952 1 13 . 1 1 42 42 LYS HA H 42 4.346 4.346 4.583 -0.237 25974 1953 1 13 . 1 1 42 42 LYS H H 42 8.397 8.397 8.812 -0.415 25974 1954 1 13 . 1 1 43 43 CYS N N 43 112.235 112.235 122.523 -10.288 25974 1955 1 13 . 1 1 43 43 CYS HA H 43 5.335 5.335 5.372 -0.037 25974 1956 1 13 . 1 1 43 43 CYS H H 43 7.397 7.397 8.847 -1.450 25974 1957 1 13 . 1 1 44 44 THR N N 44 112.586 112.586 116.581 -3.995 25974 1958 1 13 . 1 1 44 44 THR HA H 44 5.221 5.221 5.037 0.184 25974 1959 1 13 . 1 1 44 44 THR H H 44 8.674 8.674 8.325 0.349 25974 1960 1 13 . 1 1 45 45 VAL N N 45 121.814 121.814 124.707 -2.893 25974 1961 1 13 . 1 1 45 45 VAL HA H 45 4.430 4.430 3.979 0.451 25974 1962 1 13 . 1 1 45 45 VAL H H 45 8.555 8.555 8.392 0.163 25974 1963 1 13 . 1 1 46 46 ASP N N 46 126.626 126.626 126.560 0.066 25974 1964 1 13 . 1 1 46 46 ASP HA H 46 5.334 5.334 4.998 0.336 25974 1965 1 13 . 1 1 46 46 ASP H H 46 8.519 8.519 8.026 0.493 25974 1966 1 13 . 1 1 47 47 THR N N 47 114.334 114.334 115.757 -1.423 25974 1967 1 13 . 1 1 47 47 THR HA H 47 4.187 4.187 4.122 0.065 25974 1968 1 13 . 1 1 47 47 THR H H 47 9.116 9.116 8.608 0.508 25974 1969 1 13 . 1 1 48 48 TYR N N 48 124.010 124.010 123.005 1.005 25974 1970 1 13 . 1 1 48 48 TYR HA H 48 4.374 4.374 4.253 0.121 25974 1971 1 13 . 1 1 48 48 TYR H H 48 8.803 8.803 8.208 0.595 25974 1972 1 13 . 1 1 49 49 ASN N N 49 113.668 113.668 113.194 0.474 25974 1973 1 13 . 1 1 49 49 ASN HA H 49 4.475 4.475 4.716 -0.241 25974 1974 1 13 . 1 1 49 49 ASN H H 49 7.433 7.433 7.742 -0.309 25974 1975 1 13 . 1 1 50 50 ASN N N 50 117.403 117.403 118.263 -0.860 25974 1976 1 13 . 1 1 50 50 ASN HA H 50 4.199 4.199 4.273 -0.074 25974 1977 1 13 . 1 1 50 50 ASN H H 50 7.863 7.863 8.037 -0.174 25974 1978 1 13 . 1 1 51 51 ALA N N 51 121.102 121.102 120.869 0.233 25974 1979 1 13 . 1 1 51 51 ALA HA H 51 4.437 4.437 4.462 -0.025 25974 1980 1 13 . 1 1 51 51 ALA H H 51 7.853 7.853 7.637 0.216 25974 1981 1 13 . 1 1 52 52 VAL N N 52 126.326 126.326 122.098 4.228 25974 1982 1 13 . 1 1 52 52 VAL HA H 52 4.875 4.875 4.129 0.746 25974 1983 1 13 . 1 1 52 52 VAL H H 52 8.297 8.297 8.513 -0.216 25974 1984 1 13 . 1 1 53 53 ASP N N 53 125.100 125.100 129.714 -4.614 25974 1985 1 13 . 1 1 53 53 ASP HA H 53 4.795 4.795 4.888 -0.093 25974 1986 1 13 . 1 1 53 53 ASP H H 53 8.519 8.519 8.389 0.130 25974 1987 1 13 . 1 1 54 54 CYS N N 54 126.377 126.377 117.424 8.953 25974 1988 1 13 . 1 1 54 54 CYS HA H 54 4.678 4.678 4.391 0.287 25974 1989 1 13 . 1 1 54 54 CYS H H 54 8.609 8.609 7.833 0.776 25974 1990 1 14 . 1 1 2 2 LYS N N 2 119.918 119.918 121.902 -1.984 25974 1991 1 14 . 1 1 2 2 LYS HA H 2 5.230 5.230 4.309 0.921 25974 1992 1 14 . 1 1 2 2 LYS H H 2 8.167 8.167 7.725 0.442 25974 1993 1 14 . 1 1 3 3 TYR N N 3 122.493 122.493 127.979 -5.486 25974 1994 1 14 . 1 1 3 3 TYR HA H 3 4.809 4.809 4.748 0.061 25974 1995 1 14 . 1 1 3 3 TYR H H 3 8.939 8.939 9.139 -0.200 25974 1996 1 14 . 1 1 4 4 THR N N 4 117.297 117.297 117.342 -0.045 25974 1997 1 14 . 1 1 4 4 THR HA H 4 5.042 5.042 4.604 0.438 25974 1998 1 14 . 1 1 4 4 THR H H 4 8.885 8.885 8.624 0.261 25974 1999 1 14 . 1 1 5 5 GLY N N 5 115.452 115.452 113.028 2.424 25974 2000 1 14 . 1 1 5 5 GLY H H 5 9.135 9.135 9.007 0.128 25974 2001 1 14 . 1 1 6 6 LYS N N 6 121.001 121.001 117.151 3.850 25974 2002 1 14 . 1 1 6 6 LYS HA H 6 5.378 5.378 5.181 0.197 25974 2003 1 14 . 1 1 6 6 LYS H H 6 8.422 8.422 7.984 0.438 25974 2004 1 14 . 1 1 7 7 CYS N N 7 122.647 122.647 117.050 5.597 25974 2005 1 14 . 1 1 7 7 CYS HA H 7 6.297 6.297 5.349 0.948 25974 2006 1 14 . 1 1 7 7 CYS H H 7 9.767 9.767 8.930 0.837 25974 2007 1 14 . 1 1 8 8 THR N N 8 113.493 113.493 114.034 -0.541 25974 2008 1 14 . 1 1 8 8 THR HA H 8 4.704 4.704 4.874 -0.170 25974 2009 1 14 . 1 1 8 8 THR H H 8 8.716 8.716 8.134 0.582 25974 2010 1 14 . 1 1 9 9 LYS N N 9 127.640 127.640 125.395 2.245 25974 2011 1 14 . 1 1 9 9 LYS HA H 9 3.493 3.493 4.097 -0.604 25974 2012 1 14 . 1 1 9 9 LYS H H 9 8.947 8.947 8.782 0.165 25974 2013 1 14 . 1 1 10 10 SER N N 10 116.726 116.726 115.474 1.252 25974 2014 1 14 . 1 1 10 10 SER HA H 10 4.006 4.006 4.206 -0.200 25974 2015 1 14 . 1 1 10 10 SER H H 10 9.484 9.484 8.023 1.461 25974 2016 1 14 . 1 1 11 11 LYS N N 11 116.973 116.973 119.171 -2.198 25974 2017 1 14 . 1 1 11 11 LYS HA H 11 4.153 4.153 4.339 -0.186 25974 2018 1 14 . 1 1 11 11 LYS H H 11 7.051 7.051 8.133 -1.082 25974 2019 1 14 . 1 1 12 12 ASN N N 12 120.652 120.652 119.331 1.321 25974 2020 1 14 . 1 1 12 12 ASN HA H 12 4.566 4.566 4.432 0.134 25974 2021 1 14 . 1 1 12 12 ASN H H 12 7.590 7.590 8.243 -0.653 25974 2022 1 14 . 1 1 13 13 GLU N N 13 115.322 115.322 122.507 -7.185 25974 2023 1 14 . 1 1 13 13 GLU HA H 13 4.896 4.896 4.469 0.427 25974 2024 1 14 . 1 1 13 13 GLU H H 13 7.290 7.290 8.316 -1.026 25974 2025 1 14 . 1 1 14 14 CYS N N 14 123.345 123.345 126.600 -3.255 25974 2026 1 14 . 1 1 14 14 CYS HA H 14 4.639 4.639 4.639 0.000 25974 2027 1 14 . 1 1 14 14 CYS H H 14 9.588 9.588 8.956 0.632 25974 2028 1 14 . 1 1 15 15 LYS N N 15 110.722 110.722 131.287 -20.565 25974 2029 1 14 . 1 1 15 15 LYS HA H 15 4.946 4.946 5.110 -0.164 25974 2030 1 14 . 1 1 15 15 LYS H H 15 8.636 8.636 9.029 -0.393 25974 2031 1 14 . 1 1 16 16 TYR N N 16 126.630 126.630 121.259 5.371 25974 2032 1 14 . 1 1 16 16 TYR HA H 16 4.899 4.899 4.900 -0.001 25974 2033 1 14 . 1 1 16 16 TYR H H 16 8.998 8.998 8.159 0.839 25974 2034 1 14 . 1 1 17 17 LYS N N 17 120.977 120.977 117.910 3.067 25974 2035 1 14 . 1 1 17 17 LYS HA H 17 4.406 4.406 4.607 -0.201 25974 2036 1 14 . 1 1 17 17 LYS H H 17 8.421 8.421 8.310 0.111 25974 2037 1 14 . 1 1 18 18 ASN N N 18 122.224 122.224 118.852 3.372 25974 2038 1 14 . 1 1 18 18 ASN HA H 18 4.102 4.102 4.394 -0.292 25974 2039 1 14 . 1 1 18 18 ASN H H 18 7.735 7.735 8.122 -0.387 25974 2040 1 14 . 1 1 19 19 ASP N N 19 117.436 117.436 121.268 -3.832 25974 2041 1 14 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.625 -0.241 25974 2042 1 14 . 1 1 19 19 ASP H H 19 8.238 8.238 8.107 0.131 25974 2043 1 14 . 1 1 20 20 ALA N N 20 120.895 120.895 120.475 0.420 25974 2044 1 14 . 1 1 20 20 ALA HA H 20 4.409 4.409 4.090 0.319 25974 2045 1 14 . 1 1 20 20 ALA H H 20 7.419 7.419 7.889 -0.470 25974 2046 1 14 . 1 1 21 21 GLY N N 21 127.668 127.668 104.675 22.993 25974 2047 1 14 . 1 1 21 21 GLY H H 21 8.170 8.170 8.036 0.134 25974 2048 1 14 . 1 1 22 22 LYS N N 22 120.354 120.354 123.686 -3.332 25974 2049 1 14 . 1 1 22 22 LYS HA H 22 4.309 4.309 4.019 0.290 25974 2050 1 14 . 1 1 22 22 LYS H H 22 7.682 7.682 7.987 -0.305 25974 2051 1 14 . 1 1 23 23 ASP N N 23 126.398 126.398 124.386 2.012 25974 2052 1 14 . 1 1 23 23 ASP HA H 23 4.256 4.256 4.340 -0.084 25974 2053 1 14 . 1 1 23 23 ASP H H 23 8.610 8.610 8.083 0.527 25974 2054 1 14 . 1 1 24 24 THR N N 24 122.770 122.770 119.137 3.633 25974 2055 1 14 . 1 1 24 24 THR HA H 24 4.012 4.012 4.171 -0.159 25974 2056 1 14 . 1 1 24 24 THR H H 24 8.782 8.782 7.779 1.003 25974 2057 1 14 . 1 1 25 25 PHE N N 25 122.423 122.423 126.440 -4.017 25974 2058 1 14 . 1 1 25 25 PHE HA H 25 5.404 5.404 4.918 0.486 25974 2059 1 14 . 1 1 25 25 PHE H H 25 8.328 8.328 8.431 -0.103 25974 2060 1 14 . 1 1 26 26 ILE N N 26 123.029 123.029 125.207 -2.178 25974 2061 1 14 . 1 1 26 26 ILE HA H 26 4.614 4.614 4.645 -0.031 25974 2062 1 14 . 1 1 26 26 ILE H H 26 9.138 9.138 8.884 0.254 25974 2063 1 14 . 1 1 27 27 LYS N N 27 127.077 127.077 128.831 -1.754 25974 2064 1 14 . 1 1 27 27 LYS HA H 27 4.163 4.163 4.214 -0.051 25974 2065 1 14 . 1 1 27 27 LYS H H 27 8.335 8.335 8.502 -0.167 25974 2066 1 14 . 1 1 28 28 CYS N N 28 120.248 120.248 121.790 -1.542 25974 2067 1 14 . 1 1 28 28 CYS HA H 28 4.659 4.659 4.880 -0.221 25974 2068 1 14 . 1 1 28 28 CYS H H 28 8.618 8.618 8.567 0.051 25974 2069 1 14 . 1 1 29 29 PRO HA H 29 4.426 4.426 4.358 0.068 25974 2070 1 14 . 1 1 30 30 LYS N N 30 115.643 115.643 118.456 -2.813 25974 2071 1 14 . 1 1 30 30 LYS HA H 30 3.949 3.949 3.860 0.089 25974 2072 1 14 . 1 1 30 30 LYS H H 30 8.002 8.002 8.300 -0.298 25974 2073 1 14 . 1 1 31 31 PHE N N 31 116.470 116.470 115.136 1.334 25974 2074 1 14 . 1 1 31 31 PHE HA H 31 4.504 4.504 4.618 -0.114 25974 2075 1 14 . 1 1 31 31 PHE H H 31 6.308 6.308 7.397 -1.089 25974 2076 1 14 . 1 1 32 32 ASP HA H 32 4.144 4.144 4.706 -0.562 25974 2077 1 14 . 1 1 33 33 ASN N N 33 113.110 113.110 118.098 -4.988 25974 2078 1 14 . 1 1 33 33 ASN HA H 33 4.673 4.673 4.834 -0.161 25974 2079 1 14 . 1 1 33 33 ASN H H 33 8.564 8.564 8.209 0.355 25974 2080 1 14 . 1 1 34 34 LYS N N 34 120.347 120.347 117.209 3.138 25974 2081 1 14 . 1 1 34 34 LYS HA H 34 4.984 4.984 4.434 0.550 25974 2082 1 14 . 1 1 34 34 LYS H H 34 7.914 7.914 8.330 -0.416 25974 2083 1 14 . 1 1 35 35 LYS N N 35 117.863 117.863 117.794 0.069 25974 2084 1 14 . 1 1 35 35 LYS HA H 35 4.608 4.608 4.226 0.383 25974 2085 1 14 . 1 1 35 35 LYS H H 35 7.005 7.005 7.555 -0.550 25974 2086 1 14 . 1 1 36 36 CYS N N 36 118.915 118.915 120.383 -1.468 25974 2087 1 14 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.371 0.486 25974 2088 1 14 . 1 1 36 36 CYS H H 36 8.817 8.817 8.716 0.101 25974 2089 1 14 . 1 1 37 37 THR N N 37 121.008 121.008 118.640 2.368 25974 2090 1 14 . 1 1 37 37 THR HA H 37 4.300 4.300 4.409 -0.109 25974 2091 1 14 . 1 1 37 37 THR H H 37 9.980 9.980 8.439 1.541 25974 2092 1 14 . 1 1 38 38 LYS N N 38 122.326 122.326 120.660 1.666 25974 2093 1 14 . 1 1 38 38 LYS HA H 38 4.137 4.137 4.400 -0.263 25974 2094 1 14 . 1 1 38 38 LYS H H 38 7.287 7.287 7.558 -0.271 25974 2095 1 14 . 1 1 39 39 ASP N N 39 125.238 125.238 122.022 3.216 25974 2096 1 14 . 1 1 39 39 ASP HA H 39 4.578 4.578 4.581 -0.003 25974 2097 1 14 . 1 1 39 39 ASP H H 39 8.817 8.817 8.528 0.289 25974 2098 1 14 . 1 1 40 40 ASN N N 40 114.713 114.713 120.877 -6.164 25974 2099 1 14 . 1 1 40 40 ASN HA H 40 4.272 4.272 4.280 -0.008 25974 2100 1 14 . 1 1 40 40 ASN H H 40 9.532 9.532 9.041 0.491 25974 2101 1 14 . 1 1 41 41 ASN N N 41 120.080 120.080 116.733 3.347 25974 2102 1 14 . 1 1 41 41 ASN HA H 41 4.717 4.717 4.671 0.046 25974 2103 1 14 . 1 1 41 41 ASN H H 41 7.742 7.742 7.979 -0.237 25974 2104 1 14 . 1 1 42 42 LYS N N 42 118.956 118.956 119.295 -0.339 25974 2105 1 14 . 1 1 42 42 LYS HA H 42 4.346 4.346 4.586 -0.240 25974 2106 1 14 . 1 1 42 42 LYS H H 42 8.397 8.397 8.316 0.081 25974 2107 1 14 . 1 1 43 43 CYS N N 43 112.235 112.235 119.518 -7.283 25974 2108 1 14 . 1 1 43 43 CYS HA H 43 5.335 5.335 5.383 -0.048 25974 2109 1 14 . 1 1 43 43 CYS H H 43 7.397 7.397 8.683 -1.286 25974 2110 1 14 . 1 1 44 44 THR N N 44 112.586 112.586 115.747 -3.161 25974 2111 1 14 . 1 1 44 44 THR HA H 44 5.221 5.221 5.119 0.102 25974 2112 1 14 . 1 1 44 44 THR H H 44 8.674 8.674 8.030 0.644 25974 2113 1 14 . 1 1 45 45 VAL N N 45 121.814 121.814 125.286 -3.472 25974 2114 1 14 . 1 1 45 45 VAL HA H 45 4.430 4.430 4.194 0.236 25974 2115 1 14 . 1 1 45 45 VAL H H 45 8.555 8.555 8.619 -0.064 25974 2116 1 14 . 1 1 46 46 ASP N N 46 126.626 126.626 126.661 -0.035 25974 2117 1 14 . 1 1 46 46 ASP HA H 46 5.334 5.334 5.099 0.235 25974 2118 1 14 . 1 1 46 46 ASP H H 46 8.519 8.519 8.284 0.235 25974 2119 1 14 . 1 1 47 47 THR N N 47 114.334 114.334 114.931 -0.597 25974 2120 1 14 . 1 1 47 47 THR HA H 47 4.187 4.187 4.132 0.055 25974 2121 1 14 . 1 1 47 47 THR H H 47 9.116 9.116 8.535 0.581 25974 2122 1 14 . 1 1 48 48 TYR N N 48 124.010 124.010 122.962 1.048 25974 2123 1 14 . 1 1 48 48 TYR HA H 48 4.374 4.374 4.271 0.103 25974 2124 1 14 . 1 1 48 48 TYR H H 48 8.803 8.803 8.334 0.469 25974 2125 1 14 . 1 1 49 49 ASN N N 49 113.668 113.668 113.583 0.085 25974 2126 1 14 . 1 1 49 49 ASN HA H 49 4.475 4.475 4.711 -0.236 25974 2127 1 14 . 1 1 49 49 ASN H H 49 7.433 7.433 7.698 -0.265 25974 2128 1 14 . 1 1 50 50 ASN N N 50 117.403 117.403 117.117 0.286 25974 2129 1 14 . 1 1 50 50 ASN HA H 50 4.199 4.199 4.311 -0.112 25974 2130 1 14 . 1 1 50 50 ASN H H 50 7.863 7.863 7.981 -0.118 25974 2131 1 14 . 1 1 51 51 ALA N N 51 121.102 121.102 123.000 -1.898 25974 2132 1 14 . 1 1 51 51 ALA HA H 51 4.437 4.437 4.357 0.080 25974 2133 1 14 . 1 1 51 51 ALA H H 51 7.853 7.853 7.875 -0.022 25974 2134 1 14 . 1 1 52 52 VAL N N 52 126.326 126.326 121.221 5.105 25974 2135 1 14 . 1 1 52 52 VAL HA H 52 4.875 4.875 5.002 -0.127 25974 2136 1 14 . 1 1 52 52 VAL H H 52 8.297 8.297 8.314 -0.017 25974 2137 1 14 . 1 1 53 53 ASP N N 53 125.100 125.100 129.095 -3.995 25974 2138 1 14 . 1 1 53 53 ASP HA H 53 4.795 4.795 4.960 -0.165 25974 2139 1 14 . 1 1 53 53 ASP H H 53 8.519 8.519 8.445 0.074 25974 2140 1 14 . 1 1 54 54 CYS N N 54 126.377 126.377 119.361 7.016 25974 2141 1 14 . 1 1 54 54 CYS HA H 54 4.678 4.678 4.332 0.346 25974 2142 1 14 . 1 1 54 54 CYS H H 54 8.609 8.609 8.287 0.322 25974 2143 1 15 . 1 1 2 2 LYS N N 2 119.918 119.918 120.683 -0.765 25974 2144 1 15 . 1 1 2 2 LYS HA H 2 5.230 5.230 4.389 0.841 25974 2145 1 15 . 1 1 2 2 LYS H H 2 8.167 8.167 8.034 0.133 25974 2146 1 15 . 1 1 3 3 TYR N N 3 122.493 122.493 118.805 3.688 25974 2147 1 15 . 1 1 3 3 TYR HA H 3 4.809 4.809 4.728 0.081 25974 2148 1 15 . 1 1 3 3 TYR H H 3 8.939 8.939 8.308 0.631 25974 2149 1 15 . 1 1 4 4 THR N N 4 117.297 117.297 116.171 1.126 25974 2150 1 15 . 1 1 4 4 THR HA H 4 5.042 5.042 4.700 0.342 25974 2151 1 15 . 1 1 4 4 THR H H 4 8.885 8.885 8.504 0.381 25974 2152 1 15 . 1 1 5 5 GLY N N 5 115.452 115.452 112.806 2.646 25974 2153 1 15 . 1 1 5 5 GLY H H 5 9.135 9.135 9.188 -0.053 25974 2154 1 15 . 1 1 6 6 LYS N N 6 121.001 121.001 117.102 3.899 25974 2155 1 15 . 1 1 6 6 LYS HA H 6 5.378 5.378 5.075 0.303 25974 2156 1 15 . 1 1 6 6 LYS H H 6 8.422 8.422 8.186 0.236 25974 2157 1 15 . 1 1 7 7 CYS N N 7 122.647 122.647 118.958 3.689 25974 2158 1 15 . 1 1 7 7 CYS HA H 7 6.297 6.297 5.060 1.237 25974 2159 1 15 . 1 1 7 7 CYS H H 7 9.767 9.767 8.490 1.277 25974 2160 1 15 . 1 1 8 8 THR N N 8 113.493 113.493 116.285 -2.792 25974 2161 1 15 . 1 1 8 8 THR HA H 8 4.704 4.704 4.706 -0.002 25974 2162 1 15 . 1 1 8 8 THR H H 8 8.716 8.716 8.056 0.660 25974 2163 1 15 . 1 1 9 9 LYS N N 9 127.640 127.640 125.574 2.066 25974 2164 1 15 . 1 1 9 9 LYS HA H 9 3.493 3.493 3.986 -0.493 25974 2165 1 15 . 1 1 9 9 LYS H H 9 8.947 8.947 8.066 0.881 25974 2166 1 15 . 1 1 10 10 SER N N 10 116.726 116.726 115.622 1.104 25974 2167 1 15 . 1 1 10 10 SER HA H 10 4.006 4.006 4.216 -0.210 25974 2168 1 15 . 1 1 10 10 SER H H 10 9.484 9.484 8.252 1.232 25974 2169 1 15 . 1 1 11 11 LYS N N 11 116.973 116.973 117.890 -0.917 25974 2170 1 15 . 1 1 11 11 LYS HA H 11 4.153 4.153 4.399 -0.246 25974 2171 1 15 . 1 1 11 11 LYS H H 11 7.051 7.051 7.759 -0.708 25974 2172 1 15 . 1 1 12 12 ASN N N 12 120.652 120.652 119.339 1.313 25974 2173 1 15 . 1 1 12 12 ASN HA H 12 4.566 4.566 4.354 0.212 25974 2174 1 15 . 1 1 12 12 ASN H H 12 7.590 7.590 8.476 -0.886 25974 2175 1 15 . 1 1 13 13 GLU N N 13 115.322 115.322 123.397 -8.075 25974 2176 1 15 . 1 1 13 13 GLU HA H 13 4.896 4.896 4.372 0.524 25974 2177 1 15 . 1 1 13 13 GLU H H 13 7.290 7.290 8.352 -1.062 25974 2178 1 15 . 1 1 14 14 CYS N N 14 123.345 123.345 127.102 -3.757 25974 2179 1 15 . 1 1 14 14 CYS HA H 14 4.639 4.639 4.896 -0.257 25974 2180 1 15 . 1 1 14 14 CYS H H 14 9.588 9.588 8.759 0.829 25974 2181 1 15 . 1 1 15 15 LYS N N 15 110.722 110.722 130.280 -19.558 25974 2182 1 15 . 1 1 15 15 LYS HA H 15 4.946 4.946 5.361 -0.415 25974 2183 1 15 . 1 1 15 15 LYS H H 15 8.636 8.636 8.330 0.306 25974 2184 1 15 . 1 1 16 16 TYR N N 16 126.630 126.630 119.835 6.795 25974 2185 1 15 . 1 1 16 16 TYR HA H 16 4.899 4.899 4.807 0.092 25974 2186 1 15 . 1 1 16 16 TYR H H 16 8.998 8.998 8.426 0.572 25974 2187 1 15 . 1 1 17 17 LYS N N 17 120.977 120.977 119.437 1.540 25974 2188 1 15 . 1 1 17 17 LYS HA H 17 4.406 4.406 4.635 -0.229 25974 2189 1 15 . 1 1 17 17 LYS H H 17 8.421 8.421 8.172 0.249 25974 2190 1 15 . 1 1 18 18 ASN N N 18 122.224 122.224 120.083 2.141 25974 2191 1 15 . 1 1 18 18 ASN HA H 18 4.102 4.102 4.378 -0.276 25974 2192 1 15 . 1 1 18 18 ASN H H 18 7.735 7.735 8.194 -0.459 25974 2193 1 15 . 1 1 19 19 ASP N N 19 117.436 117.436 122.610 -5.174 25974 2194 1 15 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.505 -0.121 25974 2195 1 15 . 1 1 19 19 ASP H H 19 8.238 8.238 8.708 -0.470 25974 2196 1 15 . 1 1 20 20 ALA N N 20 120.895 120.895 120.699 0.196 25974 2197 1 15 . 1 1 20 20 ALA HA H 20 4.409 4.409 4.515 -0.106 25974 2198 1 15 . 1 1 20 20 ALA H H 20 7.419 7.419 8.147 -0.728 25974 2199 1 15 . 1 1 21 21 GLY N N 21 127.668 127.668 107.512 20.156 25974 2200 1 15 . 1 1 21 21 GLY H H 21 8.170 8.170 8.214 -0.044 25974 2201 1 15 . 1 1 22 22 LYS N N 22 120.354 120.354 121.622 -1.268 25974 2202 1 15 . 1 1 22 22 LYS HA H 22 4.309 4.309 4.006 0.303 25974 2203 1 15 . 1 1 22 22 LYS H H 22 7.682 7.682 7.783 -0.101 25974 2204 1 15 . 1 1 23 23 ASP N N 23 126.398 126.398 125.458 0.940 25974 2205 1 15 . 1 1 23 23 ASP HA H 23 4.256 4.256 4.587 -0.331 25974 2206 1 15 . 1 1 23 23 ASP H H 23 8.610 8.610 8.208 0.402 25974 2207 1 15 . 1 1 24 24 THR N N 24 122.770 122.770 119.645 3.125 25974 2208 1 15 . 1 1 24 24 THR HA H 24 4.012 4.012 4.152 -0.140 25974 2209 1 15 . 1 1 24 24 THR H H 24 8.782 8.782 8.145 0.637 25974 2210 1 15 . 1 1 25 25 PHE N N 25 122.423 122.423 125.228 -2.805 25974 2211 1 15 . 1 1 25 25 PHE HA H 25 5.404 5.404 5.104 0.300 25974 2212 1 15 . 1 1 25 25 PHE H H 25 8.328 8.328 8.192 0.136 25974 2213 1 15 . 1 1 26 26 ILE N N 26 123.029 123.029 124.608 -1.579 25974 2214 1 15 . 1 1 26 26 ILE HA H 26 4.614 4.614 4.609 0.005 25974 2215 1 15 . 1 1 26 26 ILE H H 26 9.138 9.138 9.314 -0.176 25974 2216 1 15 . 1 1 27 27 LYS N N 27 127.077 127.077 128.663 -1.586 25974 2217 1 15 . 1 1 27 27 LYS HA H 27 4.163 4.163 4.216 -0.053 25974 2218 1 15 . 1 1 27 27 LYS H H 27 8.335 8.335 8.398 -0.063 25974 2219 1 15 . 1 1 28 28 CYS N N 28 120.248 120.248 119.823 0.425 25974 2220 1 15 . 1 1 28 28 CYS HA H 28 4.659 4.659 4.769 -0.110 25974 2221 1 15 . 1 1 28 28 CYS H H 28 8.618 8.618 8.482 0.136 25974 2222 1 15 . 1 1 29 29 PRO HA H 29 4.426 4.426 4.294 0.132 25974 2223 1 15 . 1 1 30 30 LYS N N 30 115.643 115.643 119.470 -3.827 25974 2224 1 15 . 1 1 30 30 LYS HA H 30 3.949 3.949 3.864 0.085 25974 2225 1 15 . 1 1 30 30 LYS H H 30 8.002 8.002 8.352 -0.350 25974 2226 1 15 . 1 1 31 31 PHE N N 31 116.470 116.470 117.700 -1.230 25974 2227 1 15 . 1 1 31 31 PHE HA H 31 4.504 4.504 4.654 -0.150 25974 2228 1 15 . 1 1 31 31 PHE H H 31 6.308 6.308 7.671 -1.363 25974 2229 1 15 . 1 1 32 32 ASP HA H 32 4.144 4.144 4.461 -0.317 25974 2230 1 15 . 1 1 33 33 ASN N N 33 113.110 113.110 115.354 -2.244 25974 2231 1 15 . 1 1 33 33 ASN HA H 33 4.673 4.673 4.776 -0.103 25974 2232 1 15 . 1 1 33 33 ASN H H 33 8.564 8.564 8.508 0.056 25974 2233 1 15 . 1 1 34 34 LYS N N 34 120.347 120.347 118.306 2.041 25974 2234 1 15 . 1 1 34 34 LYS HA H 34 4.984 4.984 4.532 0.452 25974 2235 1 15 . 1 1 34 34 LYS H H 34 7.914 7.914 8.166 -0.252 25974 2236 1 15 . 1 1 35 35 LYS N N 35 117.863 117.863 119.298 -1.435 25974 2237 1 15 . 1 1 35 35 LYS HA H 35 4.608 4.608 4.379 0.229 25974 2238 1 15 . 1 1 35 35 LYS H H 35 7.005 7.005 7.550 -0.545 25974 2239 1 15 . 1 1 36 36 CYS N N 36 118.915 118.915 119.070 -0.155 25974 2240 1 15 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.389 0.468 25974 2241 1 15 . 1 1 36 36 CYS H H 36 8.817 8.817 8.808 0.009 25974 2242 1 15 . 1 1 37 37 THR N N 37 121.008 121.008 113.334 7.674 25974 2243 1 15 . 1 1 37 37 THR HA H 37 4.300 4.300 4.367 -0.067 25974 2244 1 15 . 1 1 37 37 THR H H 37 9.980 9.980 8.361 1.619 25974 2245 1 15 . 1 1 38 38 LYS N N 38 122.326 122.326 120.863 1.463 25974 2246 1 15 . 1 1 38 38 LYS HA H 38 4.137 4.137 4.548 -0.411 25974 2247 1 15 . 1 1 38 38 LYS H H 38 7.287 7.287 7.514 -0.227 25974 2248 1 15 . 1 1 39 39 ASP N N 39 125.238 125.238 119.130 6.108 25974 2249 1 15 . 1 1 39 39 ASP HA H 39 4.578 4.578 4.892 -0.314 25974 2250 1 15 . 1 1 39 39 ASP H H 39 8.817 8.817 8.395 0.422 25974 2251 1 15 . 1 1 40 40 ASN N N 40 114.713 114.713 122.282 -7.569 25974 2252 1 15 . 1 1 40 40 ASN HA H 40 4.272 4.272 4.234 0.038 25974 2253 1 15 . 1 1 40 40 ASN H H 40 9.532 9.532 9.007 0.525 25974 2254 1 15 . 1 1 41 41 ASN N N 41 120.080 120.080 116.040 4.040 25974 2255 1 15 . 1 1 41 41 ASN HA H 41 4.717 4.717 4.569 0.148 25974 2256 1 15 . 1 1 41 41 ASN H H 41 7.742 7.742 7.619 0.123 25974 2257 1 15 . 1 1 42 42 LYS N N 42 118.956 118.956 120.021 -1.065 25974 2258 1 15 . 1 1 42 42 LYS HA H 42 4.346 4.346 4.561 -0.215 25974 2259 1 15 . 1 1 42 42 LYS H H 42 8.397 8.397 8.019 0.378 25974 2260 1 15 . 1 1 43 43 CYS N N 43 112.235 112.235 119.304 -7.069 25974 2261 1 15 . 1 1 43 43 CYS HA H 43 5.335 5.335 5.391 -0.056 25974 2262 1 15 . 1 1 43 43 CYS H H 43 7.397 7.397 8.568 -1.171 25974 2263 1 15 . 1 1 44 44 THR N N 44 112.586 112.586 115.263 -2.677 25974 2264 1 15 . 1 1 44 44 THR HA H 44 5.221 5.221 4.855 0.366 25974 2265 1 15 . 1 1 44 44 THR H H 44 8.674 8.674 8.244 0.430 25974 2266 1 15 . 1 1 45 45 VAL N N 45 121.814 121.814 122.473 -0.659 25974 2267 1 15 . 1 1 45 45 VAL HA H 45 4.430 4.430 4.170 0.260 25974 2268 1 15 . 1 1 45 45 VAL H H 45 8.555 8.555 8.375 0.180 25974 2269 1 15 . 1 1 46 46 ASP N N 46 126.626 126.626 125.498 1.128 25974 2270 1 15 . 1 1 46 46 ASP HA H 46 5.334 5.334 5.008 0.326 25974 2271 1 15 . 1 1 46 46 ASP H H 46 8.519 8.519 8.261 0.258 25974 2272 1 15 . 1 1 47 47 THR N N 47 114.334 114.334 120.052 -5.718 25974 2273 1 15 . 1 1 47 47 THR HA H 47 4.187 4.187 4.595 -0.408 25974 2274 1 15 . 1 1 47 47 THR H H 47 9.116 9.116 8.821 0.295 25974 2275 1 15 . 1 1 48 48 TYR N N 48 124.010 124.010 122.491 1.519 25974 2276 1 15 . 1 1 48 48 TYR HA H 48 4.374 4.374 4.736 -0.362 25974 2277 1 15 . 1 1 48 48 TYR H H 48 8.803 8.803 7.920 0.883 25974 2278 1 15 . 1 1 49 49 ASN N N 49 113.668 113.668 116.077 -2.409 25974 2279 1 15 . 1 1 49 49 ASN HA H 49 4.475 4.475 4.615 -0.140 25974 2280 1 15 . 1 1 49 49 ASN H H 49 7.433 7.433 7.917 -0.484 25974 2281 1 15 . 1 1 50 50 ASN N N 50 117.403 117.403 117.793 -0.390 25974 2282 1 15 . 1 1 50 50 ASN HA H 50 4.199 4.199 4.310 -0.111 25974 2283 1 15 . 1 1 50 50 ASN H H 50 7.863 7.863 8.057 -0.194 25974 2284 1 15 . 1 1 51 51 ALA N N 51 121.102 121.102 123.801 -2.699 25974 2285 1 15 . 1 1 51 51 ALA HA H 51 4.437 4.437 4.585 -0.148 25974 2286 1 15 . 1 1 51 51 ALA H H 51 7.853 7.853 7.714 0.139 25974 2287 1 15 . 1 1 52 52 VAL N N 52 126.326 126.326 122.865 3.461 25974 2288 1 15 . 1 1 52 52 VAL HA H 52 4.875 4.875 4.679 0.196 25974 2289 1 15 . 1 1 52 52 VAL H H 52 8.297 8.297 8.358 -0.061 25974 2290 1 15 . 1 1 53 53 ASP N N 53 125.100 125.100 126.070 -0.970 25974 2291 1 15 . 1 1 53 53 ASP HA H 53 4.795 4.795 5.130 -0.335 25974 2292 1 15 . 1 1 53 53 ASP H H 53 8.519 8.519 8.423 0.096 25974 2293 1 15 . 1 1 54 54 CYS N N 54 126.377 126.377 119.925 6.452 25974 2294 1 15 . 1 1 54 54 CYS HA H 54 4.678 4.678 4.311 0.367 25974 2295 1 15 . 1 1 54 54 CYS H H 54 8.609 8.609 8.277 0.332 25974 2296 1 16 . 1 1 2 2 LYS N N 2 119.918 119.918 122.160 -2.242 25974 2297 1 16 . 1 1 2 2 LYS HA H 2 5.230 5.230 3.735 1.495 25974 2298 1 16 . 1 1 2 2 LYS H H 2 8.167 8.167 7.883 0.284 25974 2299 1 16 . 1 1 3 3 TYR N N 3 122.493 122.493 122.184 0.309 25974 2300 1 16 . 1 1 3 3 TYR HA H 3 4.809 4.809 4.802 0.007 25974 2301 1 16 . 1 1 3 3 TYR H H 3 8.939 8.939 8.400 0.539 25974 2302 1 16 . 1 1 4 4 THR N N 4 117.297 117.297 120.491 -3.194 25974 2303 1 16 . 1 1 4 4 THR HA H 4 5.042 5.042 4.584 0.458 25974 2304 1 16 . 1 1 4 4 THR H H 4 8.885 8.885 8.917 -0.032 25974 2305 1 16 . 1 1 5 5 GLY N N 5 115.452 115.452 113.095 2.357 25974 2306 1 16 . 1 1 5 5 GLY H H 5 9.135 9.135 9.010 0.125 25974 2307 1 16 . 1 1 6 6 LYS N N 6 121.001 121.001 116.937 4.064 25974 2308 1 16 . 1 1 6 6 LYS HA H 6 5.378 5.378 5.168 0.210 25974 2309 1 16 . 1 1 6 6 LYS H H 6 8.422 8.422 8.109 0.313 25974 2310 1 16 . 1 1 7 7 CYS N N 7 122.647 122.647 117.095 5.552 25974 2311 1 16 . 1 1 7 7 CYS HA H 7 6.297 6.297 5.207 1.090 25974 2312 1 16 . 1 1 7 7 CYS H H 7 9.767 9.767 8.924 0.843 25974 2313 1 16 . 1 1 8 8 THR N N 8 113.493 113.493 114.539 -1.046 25974 2314 1 16 . 1 1 8 8 THR HA H 8 4.704 4.704 4.860 -0.156 25974 2315 1 16 . 1 1 8 8 THR H H 8 8.716 8.716 8.107 0.609 25974 2316 1 16 . 1 1 9 9 LYS N N 9 127.640 127.640 126.399 1.241 25974 2317 1 16 . 1 1 9 9 LYS HA H 9 3.493 3.493 4.053 -0.560 25974 2318 1 16 . 1 1 9 9 LYS H H 9 8.947 8.947 8.637 0.310 25974 2319 1 16 . 1 1 10 10 SER N N 10 116.726 116.726 114.388 2.338 25974 2320 1 16 . 1 1 10 10 SER HA H 10 4.006 4.006 4.221 -0.215 25974 2321 1 16 . 1 1 10 10 SER H H 10 9.484 9.484 8.075 1.409 25974 2322 1 16 . 1 1 11 11 LYS N N 11 116.973 116.973 117.107 -0.134 25974 2323 1 16 . 1 1 11 11 LYS HA H 11 4.153 4.153 4.414 -0.261 25974 2324 1 16 . 1 1 11 11 LYS H H 11 7.051 7.051 7.910 -0.859 25974 2325 1 16 . 1 1 12 12 ASN N N 12 120.652 120.652 119.241 1.411 25974 2326 1 16 . 1 1 12 12 ASN HA H 12 4.566 4.566 4.450 0.116 25974 2327 1 16 . 1 1 12 12 ASN H H 12 7.590 7.590 8.363 -0.773 25974 2328 1 16 . 1 1 13 13 GLU N N 13 115.322 115.322 123.984 -8.662 25974 2329 1 16 . 1 1 13 13 GLU HA H 13 4.896 4.896 4.460 0.436 25974 2330 1 16 . 1 1 13 13 GLU H H 13 7.290 7.290 8.398 -1.108 25974 2331 1 16 . 1 1 14 14 CYS N N 14 123.345 123.345 125.622 -2.277 25974 2332 1 16 . 1 1 14 14 CYS HA H 14 4.639 4.639 4.530 0.109 25974 2333 1 16 . 1 1 14 14 CYS H H 14 9.588 9.588 8.798 0.790 25974 2334 1 16 . 1 1 15 15 LYS N N 15 110.722 110.722 130.916 -20.194 25974 2335 1 16 . 1 1 15 15 LYS HA H 15 4.946 4.946 5.154 -0.208 25974 2336 1 16 . 1 1 15 15 LYS H H 15 8.636 8.636 8.965 -0.329 25974 2337 1 16 . 1 1 16 16 TYR N N 16 126.630 126.630 121.475 5.155 25974 2338 1 16 . 1 1 16 16 TYR HA H 16 4.899 4.899 4.783 0.116 25974 2339 1 16 . 1 1 16 16 TYR H H 16 8.998 8.998 8.537 0.461 25974 2340 1 16 . 1 1 17 17 LYS N N 17 120.977 120.977 119.555 1.422 25974 2341 1 16 . 1 1 17 17 LYS HA H 17 4.406 4.406 4.716 -0.310 25974 2342 1 16 . 1 1 17 17 LYS H H 17 8.421 8.421 8.098 0.323 25974 2343 1 16 . 1 1 18 18 ASN N N 18 122.224 122.224 119.656 2.568 25974 2344 1 16 . 1 1 18 18 ASN HA H 18 4.102 4.102 4.485 -0.383 25974 2345 1 16 . 1 1 18 18 ASN H H 18 7.735 7.735 8.300 -0.565 25974 2346 1 16 . 1 1 19 19 ASP N N 19 117.436 117.436 119.365 -1.929 25974 2347 1 16 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.530 -0.146 25974 2348 1 16 . 1 1 19 19 ASP H H 19 8.238 8.238 8.126 0.112 25974 2349 1 16 . 1 1 20 20 ALA N N 20 120.895 120.895 117.978 2.917 25974 2350 1 16 . 1 1 20 20 ALA HA H 20 4.409 4.409 4.371 0.038 25974 2351 1 16 . 1 1 20 20 ALA H H 20 7.419 7.419 7.747 -0.328 25974 2352 1 16 . 1 1 21 21 GLY N N 21 127.668 127.668 107.104 20.564 25974 2353 1 16 . 1 1 21 21 GLY H H 21 8.170 8.170 8.063 0.107 25974 2354 1 16 . 1 1 22 22 LYS N N 22 120.354 120.354 122.712 -2.358 25974 2355 1 16 . 1 1 22 22 LYS HA H 22 4.309 4.309 4.130 0.179 25974 2356 1 16 . 1 1 22 22 LYS H H 22 7.682 7.682 7.846 -0.164 25974 2357 1 16 . 1 1 23 23 ASP N N 23 126.398 126.398 127.705 -1.307 25974 2358 1 16 . 1 1 23 23 ASP HA H 23 4.256 4.256 4.607 -0.351 25974 2359 1 16 . 1 1 23 23 ASP H H 23 8.610 8.610 8.378 0.232 25974 2360 1 16 . 1 1 24 24 THR N N 24 122.770 122.770 119.138 3.632 25974 2361 1 16 . 1 1 24 24 THR HA H 24 4.012 4.012 4.217 -0.205 25974 2362 1 16 . 1 1 24 24 THR H H 24 8.782 8.782 8.341 0.441 25974 2363 1 16 . 1 1 25 25 PHE N N 25 122.423 122.423 124.210 -1.787 25974 2364 1 16 . 1 1 25 25 PHE HA H 25 5.404 5.404 5.251 0.153 25974 2365 1 16 . 1 1 25 25 PHE H H 25 8.328 8.328 8.250 0.078 25974 2366 1 16 . 1 1 26 26 ILE N N 26 123.029 123.029 123.412 -0.383 25974 2367 1 16 . 1 1 26 26 ILE HA H 26 4.614 4.614 4.608 0.006 25974 2368 1 16 . 1 1 26 26 ILE H H 26 9.138 9.138 9.181 -0.043 25974 2369 1 16 . 1 1 27 27 LYS N N 27 127.077 127.077 127.397 -0.320 25974 2370 1 16 . 1 1 27 27 LYS HA H 27 4.163 4.163 4.192 -0.029 25974 2371 1 16 . 1 1 27 27 LYS H H 27 8.335 8.335 8.417 -0.082 25974 2372 1 16 . 1 1 28 28 CYS N N 28 120.248 120.248 122.148 -1.900 25974 2373 1 16 . 1 1 28 28 CYS HA H 28 4.659 4.659 4.831 -0.172 25974 2374 1 16 . 1 1 28 28 CYS H H 28 8.618 8.618 8.692 -0.074 25974 2375 1 16 . 1 1 29 29 PRO HA H 29 4.426 4.426 4.345 0.081 25974 2376 1 16 . 1 1 30 30 LYS N N 30 115.643 115.643 118.456 -2.813 25974 2377 1 16 . 1 1 30 30 LYS HA H 30 3.949 3.949 3.821 0.128 25974 2378 1 16 . 1 1 30 30 LYS H H 30 8.002 8.002 8.184 -0.182 25974 2379 1 16 . 1 1 31 31 PHE N N 31 116.470 116.470 115.186 1.284 25974 2380 1 16 . 1 1 31 31 PHE HA H 31 4.504 4.504 4.634 -0.130 25974 2381 1 16 . 1 1 31 31 PHE H H 31 6.308 6.308 7.507 -1.199 25974 2382 1 16 . 1 1 32 32 ASP HA H 32 4.144 4.144 4.702 -0.558 25974 2383 1 16 . 1 1 33 33 ASN N N 33 113.110 113.110 117.581 -4.471 25974 2384 1 16 . 1 1 33 33 ASN HA H 33 4.673 4.673 4.799 -0.126 25974 2385 1 16 . 1 1 33 33 ASN H H 33 8.564 8.564 8.257 0.307 25974 2386 1 16 . 1 1 34 34 LYS N N 34 120.347 120.347 118.249 2.098 25974 2387 1 16 . 1 1 34 34 LYS HA H 34 4.984 4.984 4.474 0.510 25974 2388 1 16 . 1 1 34 34 LYS H H 34 7.914 7.914 8.166 -0.252 25974 2389 1 16 . 1 1 35 35 LYS N N 35 117.863 117.863 118.345 -0.482 25974 2390 1 16 . 1 1 35 35 LYS HA H 35 4.608 4.608 4.250 0.358 25974 2391 1 16 . 1 1 35 35 LYS H H 35 7.005 7.005 7.737 -0.732 25974 2392 1 16 . 1 1 36 36 CYS N N 36 118.915 118.915 120.688 -1.773 25974 2393 1 16 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.320 0.537 25974 2394 1 16 . 1 1 36 36 CYS H H 36 8.817 8.817 8.633 0.184 25974 2395 1 16 . 1 1 37 37 THR N N 37 121.008 121.008 117.700 3.308 25974 2396 1 16 . 1 1 37 37 THR HA H 37 4.300 4.300 4.339 -0.039 25974 2397 1 16 . 1 1 37 37 THR H H 37 9.980 9.980 8.199 1.781 25974 2398 1 16 . 1 1 38 38 LYS N N 38 122.326 122.326 120.218 2.108 25974 2399 1 16 . 1 1 38 38 LYS HA H 38 4.137 4.137 4.410 -0.273 25974 2400 1 16 . 1 1 38 38 LYS H H 38 7.287 7.287 7.497 -0.210 25974 2401 1 16 . 1 1 39 39 ASP N N 39 125.238 125.238 120.074 5.164 25974 2402 1 16 . 1 1 39 39 ASP HA H 39 4.578 4.578 4.553 0.025 25974 2403 1 16 . 1 1 39 39 ASP H H 39 8.817 8.817 8.411 0.406 25974 2404 1 16 . 1 1 40 40 ASN N N 40 114.713 114.713 120.088 -5.375 25974 2405 1 16 . 1 1 40 40 ASN HA H 40 4.272 4.272 4.251 0.021 25974 2406 1 16 . 1 1 40 40 ASN H H 40 9.532 9.532 8.914 0.618 25974 2407 1 16 . 1 1 41 41 ASN N N 41 120.080 120.080 115.518 4.562 25974 2408 1 16 . 1 1 41 41 ASN HA H 41 4.717 4.717 4.646 0.071 25974 2409 1 16 . 1 1 41 41 ASN H H 41 7.742 7.742 7.853 -0.111 25974 2410 1 16 . 1 1 42 42 LYS N N 42 118.956 118.956 120.519 -1.563 25974 2411 1 16 . 1 1 42 42 LYS HA H 42 4.346 4.346 4.566 -0.220 25974 2412 1 16 . 1 1 42 42 LYS H H 42 8.397 8.397 8.263 0.134 25974 2413 1 16 . 1 1 43 43 CYS N N 43 112.235 112.235 121.499 -9.264 25974 2414 1 16 . 1 1 43 43 CYS HA H 43 5.335 5.335 5.522 -0.187 25974 2415 1 16 . 1 1 43 43 CYS H H 43 7.397 7.397 8.770 -1.373 25974 2416 1 16 . 1 1 44 44 THR N N 44 112.586 112.586 117.146 -4.560 25974 2417 1 16 . 1 1 44 44 THR HA H 44 5.221 5.221 5.293 -0.072 25974 2418 1 16 . 1 1 44 44 THR H H 44 8.674 8.674 8.111 0.563 25974 2419 1 16 . 1 1 45 45 VAL N N 45 121.814 121.814 125.688 -3.874 25974 2420 1 16 . 1 1 45 45 VAL HA H 45 4.430 4.430 4.120 0.310 25974 2421 1 16 . 1 1 45 45 VAL H H 45 8.555 8.555 9.142 -0.587 25974 2422 1 16 . 1 1 46 46 ASP N N 46 126.626 126.626 126.801 -0.175 25974 2423 1 16 . 1 1 46 46 ASP HA H 46 5.334 5.334 4.953 0.381 25974 2424 1 16 . 1 1 46 46 ASP H H 46 8.519 8.519 8.493 0.026 25974 2425 1 16 . 1 1 47 47 THR N N 47 114.334 114.334 119.464 -5.130 25974 2426 1 16 . 1 1 47 47 THR HA H 47 4.187 4.187 4.556 -0.369 25974 2427 1 16 . 1 1 47 47 THR H H 47 9.116 9.116 8.805 0.311 25974 2428 1 16 . 1 1 48 48 TYR N N 48 124.010 124.010 121.298 2.712 25974 2429 1 16 . 1 1 48 48 TYR HA H 48 4.374 4.374 4.686 -0.312 25974 2430 1 16 . 1 1 48 48 TYR H H 48 8.803 8.803 7.776 1.027 25974 2431 1 16 . 1 1 49 49 ASN N N 49 113.668 113.668 114.697 -1.029 25974 2432 1 16 . 1 1 49 49 ASN HA H 49 4.475 4.475 4.598 -0.123 25974 2433 1 16 . 1 1 49 49 ASN H H 49 7.433 7.433 7.971 -0.538 25974 2434 1 16 . 1 1 50 50 ASN N N 50 117.403 117.403 117.881 -0.478 25974 2435 1 16 . 1 1 50 50 ASN HA H 50 4.199 4.199 4.344 -0.145 25974 2436 1 16 . 1 1 50 50 ASN H H 50 7.863 7.863 8.030 -0.167 25974 2437 1 16 . 1 1 51 51 ALA N N 51 121.102 121.102 123.198 -2.096 25974 2438 1 16 . 1 1 51 51 ALA HA H 51 4.437 4.437 4.313 0.124 25974 2439 1 16 . 1 1 51 51 ALA H H 51 7.853 7.853 8.046 -0.193 25974 2440 1 16 . 1 1 52 52 VAL N N 52 126.326 126.326 121.120 5.206 25974 2441 1 16 . 1 1 52 52 VAL HA H 52 4.875 4.875 4.904 -0.029 25974 2442 1 16 . 1 1 52 52 VAL H H 52 8.297 8.297 8.291 0.006 25974 2443 1 16 . 1 1 53 53 ASP N N 53 125.100 125.100 128.649 -3.549 25974 2444 1 16 . 1 1 53 53 ASP HA H 53 4.795 4.795 4.942 -0.147 25974 2445 1 16 . 1 1 53 53 ASP H H 53 8.519 8.519 8.344 0.175 25974 2446 1 16 . 1 1 54 54 CYS N N 54 126.377 126.377 120.739 5.638 25974 2447 1 16 . 1 1 54 54 CYS HA H 54 4.678 4.678 4.245 0.433 25974 2448 1 16 . 1 1 54 54 CYS H H 54 8.609 8.609 8.364 0.245 25974 2449 1 17 . 1 1 2 2 LYS N N 2 119.918 119.918 122.295 -2.377 25974 2450 1 17 . 1 1 2 2 LYS HA H 2 5.230 5.230 4.395 0.835 25974 2451 1 17 . 1 1 2 2 LYS H H 2 8.167 8.167 7.988 0.179 25974 2452 1 17 . 1 1 3 3 TYR N N 3 122.493 122.493 124.698 -2.205 25974 2453 1 17 . 1 1 3 3 TYR HA H 3 4.809 4.809 4.631 0.178 25974 2454 1 17 . 1 1 3 3 TYR H H 3 8.939 8.939 8.748 0.191 25974 2455 1 17 . 1 1 4 4 THR N N 4 117.297 117.297 119.195 -1.898 25974 2456 1 17 . 1 1 4 4 THR HA H 4 5.042 5.042 4.548 0.494 25974 2457 1 17 . 1 1 4 4 THR H H 4 8.885 8.885 8.655 0.230 25974 2458 1 17 . 1 1 5 5 GLY N N 5 115.452 115.452 112.885 2.567 25974 2459 1 17 . 1 1 5 5 GLY H H 5 9.135 9.135 8.920 0.215 25974 2460 1 17 . 1 1 6 6 LYS N N 6 121.001 121.001 117.043 3.958 25974 2461 1 17 . 1 1 6 6 LYS HA H 6 5.378 5.378 5.215 0.163 25974 2462 1 17 . 1 1 6 6 LYS H H 6 8.422 8.422 8.040 0.382 25974 2463 1 17 . 1 1 7 7 CYS N N 7 122.647 122.647 115.564 7.083 25974 2464 1 17 . 1 1 7 7 CYS HA H 7 6.297 6.297 5.297 1.000 25974 2465 1 17 . 1 1 7 7 CYS H H 7 9.767 9.767 8.802 0.965 25974 2466 1 17 . 1 1 8 8 THR N N 8 113.493 113.493 113.792 -0.299 25974 2467 1 17 . 1 1 8 8 THR HA H 8 4.704 4.704 4.936 -0.232 25974 2468 1 17 . 1 1 8 8 THR H H 8 8.716 8.716 8.063 0.653 25974 2469 1 17 . 1 1 9 9 LYS N N 9 127.640 127.640 124.412 3.228 25974 2470 1 17 . 1 1 9 9 LYS HA H 9 3.493 3.493 4.004 -0.511 25974 2471 1 17 . 1 1 9 9 LYS H H 9 8.947 8.947 8.395 0.552 25974 2472 1 17 . 1 1 10 10 SER N N 10 116.726 116.726 115.981 0.745 25974 2473 1 17 . 1 1 10 10 SER HA H 10 4.006 4.006 4.258 -0.252 25974 2474 1 17 . 1 1 10 10 SER H H 10 9.484 9.484 7.852 1.632 25974 2475 1 17 . 1 1 11 11 LYS N N 11 116.973 116.973 123.989 -7.016 25974 2476 1 17 . 1 1 11 11 LYS HA H 11 4.153 4.153 3.989 0.164 25974 2477 1 17 . 1 1 11 11 LYS H H 11 7.051 7.051 8.606 -1.555 25974 2478 1 17 . 1 1 12 12 ASN N N 12 120.652 120.652 115.871 4.781 25974 2479 1 17 . 1 1 12 12 ASN HA H 12 4.566 4.566 4.490 0.076 25974 2480 1 17 . 1 1 12 12 ASN H H 12 7.590 7.590 7.702 -0.112 25974 2481 1 17 . 1 1 13 13 GLU N N 13 115.322 115.322 122.541 -7.219 25974 2482 1 17 . 1 1 13 13 GLU HA H 13 4.896 4.896 4.356 0.540 25974 2483 1 17 . 1 1 13 13 GLU H H 13 7.290 7.290 8.364 -1.074 25974 2484 1 17 . 1 1 14 14 CYS N N 14 123.345 123.345 125.326 -1.981 25974 2485 1 17 . 1 1 14 14 CYS HA H 14 4.639 4.639 4.624 0.015 25974 2486 1 17 . 1 1 14 14 CYS H H 14 9.588 9.588 8.697 0.891 25974 2487 1 17 . 1 1 15 15 LYS N N 15 110.722 110.722 130.043 -19.321 25974 2488 1 17 . 1 1 15 15 LYS HA H 15 4.946 4.946 5.430 -0.484 25974 2489 1 17 . 1 1 15 15 LYS H H 15 8.636 8.636 9.069 -0.433 25974 2490 1 17 . 1 1 16 16 TYR N N 16 126.630 126.630 122.482 4.148 25974 2491 1 17 . 1 1 16 16 TYR HA H 16 4.899 4.899 4.947 -0.048 25974 2492 1 17 . 1 1 16 16 TYR H H 16 8.998 8.998 9.010 -0.012 25974 2493 1 17 . 1 1 17 17 LYS N N 17 120.977 120.977 120.026 0.951 25974 2494 1 17 . 1 1 17 17 LYS HA H 17 4.406 4.406 4.642 -0.236 25974 2495 1 17 . 1 1 17 17 LYS H H 17 8.421 8.421 8.067 0.354 25974 2496 1 17 . 1 1 18 18 ASN N N 18 122.224 122.224 120.723 1.501 25974 2497 1 17 . 1 1 18 18 ASN HA H 18 4.102 4.102 4.534 -0.432 25974 2498 1 17 . 1 1 18 18 ASN H H 18 7.735 7.735 8.082 -0.347 25974 2499 1 17 . 1 1 19 19 ASP N N 19 117.436 117.436 119.422 -1.986 25974 2500 1 17 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.253 0.131 25974 2501 1 17 . 1 1 19 19 ASP H H 19 8.238 8.238 8.966 -0.728 25974 2502 1 17 . 1 1 20 20 ALA N N 20 120.895 120.895 121.323 -0.428 25974 2503 1 17 . 1 1 20 20 ALA HA H 20 4.409 4.409 4.484 -0.075 25974 2504 1 17 . 1 1 20 20 ALA H H 20 7.419 7.419 8.091 -0.672 25974 2505 1 17 . 1 1 21 21 GLY N N 21 127.668 127.668 107.575 20.093 25974 2506 1 17 . 1 1 21 21 GLY H H 21 8.170 8.170 7.823 0.347 25974 2507 1 17 . 1 1 22 22 LYS N N 22 120.354 120.354 122.154 -1.800 25974 2508 1 17 . 1 1 22 22 LYS HA H 22 4.309 4.309 4.228 0.081 25974 2509 1 17 . 1 1 22 22 LYS H H 22 7.682 7.682 7.751 -0.069 25974 2510 1 17 . 1 1 23 23 ASP N N 23 126.398 126.398 125.302 1.096 25974 2511 1 17 . 1 1 23 23 ASP HA H 23 4.256 4.256 4.986 -0.730 25974 2512 1 17 . 1 1 23 23 ASP H H 23 8.610 8.610 8.439 0.171 25974 2513 1 17 . 1 1 24 24 THR N N 24 122.770 122.770 119.239 3.531 25974 2514 1 17 . 1 1 24 24 THR HA H 24 4.012 4.012 4.256 -0.244 25974 2515 1 17 . 1 1 24 24 THR H H 24 8.782 8.782 8.316 0.466 25974 2516 1 17 . 1 1 25 25 PHE N N 25 122.423 122.423 123.551 -1.128 25974 2517 1 17 . 1 1 25 25 PHE HA H 25 5.404 5.404 5.382 0.022 25974 2518 1 17 . 1 1 25 25 PHE H H 25 8.328 8.328 8.175 0.153 25974 2519 1 17 . 1 1 26 26 ILE N N 26 123.029 123.029 120.644 2.385 25974 2520 1 17 . 1 1 26 26 ILE HA H 26 4.614 4.614 4.457 0.157 25974 2521 1 17 . 1 1 26 26 ILE H H 26 9.138 9.138 8.775 0.363 25974 2522 1 17 . 1 1 27 27 LYS N N 27 127.077 127.077 128.373 -1.296 25974 2523 1 17 . 1 1 27 27 LYS HA H 27 4.163 4.163 4.306 -0.143 25974 2524 1 17 . 1 1 27 27 LYS H H 27 8.335 8.335 8.285 0.050 25974 2525 1 17 . 1 1 28 28 CYS N N 28 120.248 120.248 121.604 -1.356 25974 2526 1 17 . 1 1 28 28 CYS HA H 28 4.659 4.659 4.718 -0.059 25974 2527 1 17 . 1 1 28 28 CYS H H 28 8.618 8.618 8.607 0.011 25974 2528 1 17 . 1 1 29 29 PRO HA H 29 4.426 4.426 4.337 0.089 25974 2529 1 17 . 1 1 30 30 LYS N N 30 115.643 115.643 119.093 -3.450 25974 2530 1 17 . 1 1 30 30 LYS HA H 30 3.949 3.949 3.842 0.107 25974 2531 1 17 . 1 1 30 30 LYS H H 30 8.002 8.002 8.182 -0.180 25974 2532 1 17 . 1 1 31 31 PHE N N 31 116.470 116.470 115.400 1.070 25974 2533 1 17 . 1 1 31 31 PHE HA H 31 4.504 4.504 4.614 -0.110 25974 2534 1 17 . 1 1 31 31 PHE H H 31 6.308 6.308 7.331 -1.023 25974 2535 1 17 . 1 1 32 32 ASP HA H 32 4.144 4.144 4.718 -0.574 25974 2536 1 17 . 1 1 33 33 ASN N N 33 113.110 113.110 116.415 -3.305 25974 2537 1 17 . 1 1 33 33 ASN HA H 33 4.673 4.673 4.853 -0.180 25974 2538 1 17 . 1 1 33 33 ASN H H 33 8.564 8.564 8.425 0.139 25974 2539 1 17 . 1 1 34 34 LYS N N 34 120.347 120.347 118.228 2.119 25974 2540 1 17 . 1 1 34 34 LYS HA H 34 4.984 4.984 4.465 0.518 25974 2541 1 17 . 1 1 34 34 LYS H H 34 7.914 7.914 8.122 -0.208 25974 2542 1 17 . 1 1 35 35 LYS N N 35 117.863 117.863 119.982 -2.119 25974 2543 1 17 . 1 1 35 35 LYS HA H 35 4.608 4.608 4.351 0.257 25974 2544 1 17 . 1 1 35 35 LYS H H 35 7.005 7.005 7.716 -0.711 25974 2545 1 17 . 1 1 36 36 CYS N N 36 118.915 118.915 119.798 -0.883 25974 2546 1 17 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.452 0.405 25974 2547 1 17 . 1 1 36 36 CYS H H 36 8.817 8.817 8.856 -0.039 25974 2548 1 17 . 1 1 37 37 THR N N 37 121.008 121.008 116.345 4.663 25974 2549 1 17 . 1 1 37 37 THR HA H 37 4.300 4.300 4.368 -0.068 25974 2550 1 17 . 1 1 37 37 THR H H 37 9.980 9.980 8.061 1.919 25974 2551 1 17 . 1 1 38 38 LYS N N 38 122.326 122.326 120.090 2.236 25974 2552 1 17 . 1 1 38 38 LYS HA H 38 4.137 4.137 4.335 -0.198 25974 2553 1 17 . 1 1 38 38 LYS H H 38 7.287 7.287 7.576 -0.289 25974 2554 1 17 . 1 1 39 39 ASP N N 39 125.238 125.238 120.764 4.474 25974 2555 1 17 . 1 1 39 39 ASP HA H 39 4.578 4.578 4.679 -0.101 25974 2556 1 17 . 1 1 39 39 ASP H H 39 8.817 8.817 8.459 0.358 25974 2557 1 17 . 1 1 40 40 ASN N N 40 114.713 114.713 121.570 -6.857 25974 2558 1 17 . 1 1 40 40 ASN HA H 40 4.272 4.272 4.274 -0.002 25974 2559 1 17 . 1 1 40 40 ASN H H 40 9.532 9.532 8.893 0.639 25974 2560 1 17 . 1 1 41 41 ASN N N 41 120.080 120.080 115.584 4.496 25974 2561 1 17 . 1 1 41 41 ASN HA H 41 4.717 4.717 4.638 0.079 25974 2562 1 17 . 1 1 41 41 ASN H H 41 7.742 7.742 7.840 -0.098 25974 2563 1 17 . 1 1 42 42 LYS N N 42 118.956 118.956 119.872 -0.916 25974 2564 1 17 . 1 1 42 42 LYS HA H 42 4.346 4.346 4.620 -0.274 25974 2565 1 17 . 1 1 42 42 LYS H H 42 8.397 8.397 8.069 0.328 25974 2566 1 17 . 1 1 43 43 CYS N N 43 112.235 112.235 119.673 -7.438 25974 2567 1 17 . 1 1 43 43 CYS HA H 43 5.335 5.335 5.258 0.077 25974 2568 1 17 . 1 1 43 43 CYS H H 43 7.397 7.397 9.075 -1.678 25974 2569 1 17 . 1 1 44 44 THR N N 44 112.586 112.586 114.088 -1.502 25974 2570 1 17 . 1 1 44 44 THR HA H 44 5.221 5.221 5.358 -0.137 25974 2571 1 17 . 1 1 44 44 THR H H 44 8.674 8.674 8.312 0.362 25974 2572 1 17 . 1 1 45 45 VAL N N 45 121.814 121.814 118.404 3.410 25974 2573 1 17 . 1 1 45 45 VAL HA H 45 4.430 4.430 4.396 0.034 25974 2574 1 17 . 1 1 45 45 VAL H H 45 8.555 8.555 8.823 -0.268 25974 2575 1 17 . 1 1 46 46 ASP N N 46 126.626 126.626 127.322 -0.696 25974 2576 1 17 . 1 1 46 46 ASP HA H 46 5.334 5.334 5.021 0.313 25974 2577 1 17 . 1 1 46 46 ASP H H 46 8.519 8.519 8.529 -0.010 25974 2578 1 17 . 1 1 47 47 THR N N 47 114.334 114.334 120.405 -6.071 25974 2579 1 17 . 1 1 47 47 THR HA H 47 4.187 4.187 4.511 -0.324 25974 2580 1 17 . 1 1 47 47 THR H H 47 9.116 9.116 8.898 0.218 25974 2581 1 17 . 1 1 48 48 TYR N N 48 124.010 124.010 121.147 2.863 25974 2582 1 17 . 1 1 48 48 TYR HA H 48 4.374 4.374 4.671 -0.297 25974 2583 1 17 . 1 1 48 48 TYR H H 48 8.803 8.803 8.152 0.651 25974 2584 1 17 . 1 1 49 49 ASN N N 49 113.668 113.668 115.275 -1.607 25974 2585 1 17 . 1 1 49 49 ASN HA H 49 4.475 4.475 4.741 -0.266 25974 2586 1 17 . 1 1 49 49 ASN H H 49 7.433 7.433 8.021 -0.589 25974 2587 1 17 . 1 1 50 50 ASN N N 50 117.403 117.403 118.408 -1.005 25974 2588 1 17 . 1 1 50 50 ASN HA H 50 4.199 4.199 4.505 -0.306 25974 2589 1 17 . 1 1 50 50 ASN H H 50 7.863 7.863 7.996 -0.133 25974 2590 1 17 . 1 1 51 51 ALA N N 51 121.102 121.102 123.815 -2.713 25974 2591 1 17 . 1 1 51 51 ALA HA H 51 4.437 4.437 4.661 -0.224 25974 2592 1 17 . 1 1 51 51 ALA H H 51 7.853 7.853 7.637 0.216 25974 2593 1 17 . 1 1 52 52 VAL N N 52 126.326 126.326 122.568 3.758 25974 2594 1 17 . 1 1 52 52 VAL HA H 52 4.875 4.875 4.705 0.170 25974 2595 1 17 . 1 1 52 52 VAL H H 52 8.297 8.297 8.315 -0.018 25974 2596 1 17 . 1 1 53 53 ASP N N 53 125.100 125.100 127.606 -2.506 25974 2597 1 17 . 1 1 53 53 ASP HA H 53 4.795 4.795 4.901 -0.106 25974 2598 1 17 . 1 1 53 53 ASP H H 53 8.519 8.519 8.304 0.215 25974 2599 1 17 . 1 1 54 54 CYS N N 54 126.377 126.377 118.190 8.187 25974 2600 1 17 . 1 1 54 54 CYS HA H 54 4.678 4.678 4.528 0.150 25974 2601 1 17 . 1 1 54 54 CYS H H 54 8.609 8.609 8.408 0.201 25974 2602 1 18 . 1 1 2 2 LYS N N 2 119.918 119.918 119.558 0.360 25974 2603 1 18 . 1 1 2 2 LYS HA H 2 5.230 5.230 4.308 0.922 25974 2604 1 18 . 1 1 2 2 LYS H H 2 8.167 8.167 7.468 0.699 25974 2605 1 18 . 1 1 3 3 TYR N N 3 122.493 122.493 123.536 -1.043 25974 2606 1 18 . 1 1 3 3 TYR HA H 3 4.809 4.809 4.496 0.313 25974 2607 1 18 . 1 1 3 3 TYR H H 3 8.939 8.939 8.235 0.704 25974 2608 1 18 . 1 1 4 4 THR N N 4 117.297 117.297 116.619 0.678 25974 2609 1 18 . 1 1 4 4 THR HA H 4 5.042 5.042 4.607 0.435 25974 2610 1 18 . 1 1 4 4 THR H H 4 8.885 8.885 8.459 0.426 25974 2611 1 18 . 1 1 5 5 GLY N N 5 115.452 115.452 111.637 3.815 25974 2612 1 18 . 1 1 5 5 GLY H H 5 9.135 9.135 8.954 0.180 25974 2613 1 18 . 1 1 6 6 LYS N N 6 121.001 121.001 117.172 3.829 25974 2614 1 18 . 1 1 6 6 LYS HA H 6 5.378 5.378 5.156 0.222 25974 2615 1 18 . 1 1 6 6 LYS H H 6 8.422 8.422 8.190 0.232 25974 2616 1 18 . 1 1 7 7 CYS N N 7 122.647 122.647 117.696 4.951 25974 2617 1 18 . 1 1 7 7 CYS HA H 7 6.297 6.297 5.280 1.017 25974 2618 1 18 . 1 1 7 7 CYS H H 7 9.767 9.767 9.018 0.749 25974 2619 1 18 . 1 1 8 8 THR N N 8 113.493 113.493 113.704 -0.211 25974 2620 1 18 . 1 1 8 8 THR HA H 8 4.704 4.704 4.747 -0.043 25974 2621 1 18 . 1 1 8 8 THR H H 8 8.716 8.716 8.043 0.673 25974 2622 1 18 . 1 1 9 9 LYS N N 9 127.640 127.640 126.141 1.499 25974 2623 1 18 . 1 1 9 9 LYS HA H 9 3.493 3.493 4.079 -0.586 25974 2624 1 18 . 1 1 9 9 LYS H H 9 8.947 8.947 8.336 0.611 25974 2625 1 18 . 1 1 10 10 SER N N 10 116.726 116.726 116.039 0.687 25974 2626 1 18 . 1 1 10 10 SER HA H 10 4.006 4.006 4.209 -0.203 25974 2627 1 18 . 1 1 10 10 SER H H 10 9.484 9.484 8.058 1.426 25974 2628 1 18 . 1 1 11 11 LYS N N 11 116.973 116.973 118.172 -1.199 25974 2629 1 18 . 1 1 11 11 LYS HA H 11 4.153 4.153 4.380 -0.227 25974 2630 1 18 . 1 1 11 11 LYS H H 11 7.051 7.051 8.289 -1.238 25974 2631 1 18 . 1 1 12 12 ASN N N 12 120.652 120.652 118.939 1.713 25974 2632 1 18 . 1 1 12 12 ASN HA H 12 4.566 4.566 4.524 0.042 25974 2633 1 18 . 1 1 12 12 ASN H H 12 7.590 7.590 8.229 -0.639 25974 2634 1 18 . 1 1 13 13 GLU N N 13 115.322 115.322 123.996 -8.674 25974 2635 1 18 . 1 1 13 13 GLU HA H 13 4.896 4.896 4.565 0.331 25974 2636 1 18 . 1 1 13 13 GLU H H 13 7.290 7.290 8.379 -1.089 25974 2637 1 18 . 1 1 14 14 CYS N N 14 123.345 123.345 124.342 -0.997 25974 2638 1 18 . 1 1 14 14 CYS HA H 14 4.639 4.639 4.618 0.021 25974 2639 1 18 . 1 1 14 14 CYS H H 14 9.588 9.588 8.842 0.746 25974 2640 1 18 . 1 1 15 15 LYS N N 15 110.722 110.722 128.921 -18.199 25974 2641 1 18 . 1 1 15 15 LYS HA H 15 4.946 4.946 5.093 -0.147 25974 2642 1 18 . 1 1 15 15 LYS H H 15 8.636 8.636 8.404 0.232 25974 2643 1 18 . 1 1 16 16 TYR N N 16 126.630 126.630 120.572 6.058 25974 2644 1 18 . 1 1 16 16 TYR HA H 16 4.899 4.899 4.880 0.019 25974 2645 1 18 . 1 1 16 16 TYR H H 16 8.998 8.998 8.129 0.869 25974 2646 1 18 . 1 1 17 17 LYS N N 17 120.977 120.977 118.418 2.559 25974 2647 1 18 . 1 1 17 17 LYS HA H 17 4.406 4.406 4.529 -0.123 25974 2648 1 18 . 1 1 17 17 LYS H H 17 8.421 8.421 8.385 0.036 25974 2649 1 18 . 1 1 18 18 ASN N N 18 122.224 122.224 118.861 3.363 25974 2650 1 18 . 1 1 18 18 ASN HA H 18 4.102 4.102 4.216 -0.114 25974 2651 1 18 . 1 1 18 18 ASN H H 18 7.735 7.735 7.888 -0.153 25974 2652 1 18 . 1 1 19 19 ASP N N 19 117.436 117.436 121.530 -4.094 25974 2653 1 18 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.395 -0.011 25974 2654 1 18 . 1 1 19 19 ASP H H 19 8.238 8.238 8.477 -0.239 25974 2655 1 18 . 1 1 20 20 ALA N N 20 120.895 120.895 121.094 -0.199 25974 2656 1 18 . 1 1 20 20 ALA HA H 20 4.409 4.409 4.473 -0.064 25974 2657 1 18 . 1 1 20 20 ALA H H 20 7.419 7.419 8.104 -0.685 25974 2658 1 18 . 1 1 21 21 GLY N N 21 127.668 127.668 107.675 19.993 25974 2659 1 18 . 1 1 21 21 GLY H H 21 8.170 8.170 8.195 -0.025 25974 2660 1 18 . 1 1 22 22 LYS N N 22 120.354 120.354 121.890 -1.536 25974 2661 1 18 . 1 1 22 22 LYS HA H 22 4.309 4.309 4.031 0.278 25974 2662 1 18 . 1 1 22 22 LYS H H 22 7.682 7.682 7.764 -0.082 25974 2663 1 18 . 1 1 23 23 ASP N N 23 126.398 126.398 124.140 2.258 25974 2664 1 18 . 1 1 23 23 ASP HA H 23 4.256 4.256 4.543 -0.287 25974 2665 1 18 . 1 1 23 23 ASP H H 23 8.610 8.610 8.159 0.451 25974 2666 1 18 . 1 1 24 24 THR N N 24 122.770 122.770 119.575 3.195 25974 2667 1 18 . 1 1 24 24 THR HA H 24 4.012 4.012 4.219 -0.207 25974 2668 1 18 . 1 1 24 24 THR H H 24 8.782 8.782 8.196 0.586 25974 2669 1 18 . 1 1 25 25 PHE N N 25 122.423 122.423 127.011 -4.588 25974 2670 1 18 . 1 1 25 25 PHE HA H 25 5.404 5.404 4.591 0.813 25974 2671 1 18 . 1 1 25 25 PHE H H 25 8.328 8.328 8.049 0.279 25974 2672 1 18 . 1 1 26 26 ILE N N 26 123.029 123.029 123.740 -0.711 25974 2673 1 18 . 1 1 26 26 ILE HA H 26 4.614 4.614 4.586 0.028 25974 2674 1 18 . 1 1 26 26 ILE H H 26 9.138 9.138 8.513 0.625 25974 2675 1 18 . 1 1 27 27 LYS N N 27 127.077 127.077 126.156 0.921 25974 2676 1 18 . 1 1 27 27 LYS HA H 27 4.163 4.163 4.289 -0.126 25974 2677 1 18 . 1 1 27 27 LYS H H 27 8.335 8.335 8.370 -0.035 25974 2678 1 18 . 1 1 28 28 CYS N N 28 120.248 120.248 121.884 -1.636 25974 2679 1 18 . 1 1 28 28 CYS HA H 28 4.659 4.659 4.858 -0.199 25974 2680 1 18 . 1 1 28 28 CYS H H 28 8.618 8.618 8.666 -0.048 25974 2681 1 18 . 1 1 29 29 PRO HA H 29 4.426 4.426 4.333 0.093 25974 2682 1 18 . 1 1 30 30 LYS N N 30 115.643 115.643 118.376 -2.733 25974 2683 1 18 . 1 1 30 30 LYS HA H 30 3.949 3.949 3.888 0.061 25974 2684 1 18 . 1 1 30 30 LYS H H 30 8.002 8.002 8.272 -0.270 25974 2685 1 18 . 1 1 31 31 PHE N N 31 116.470 116.470 115.600 0.870 25974 2686 1 18 . 1 1 31 31 PHE HA H 31 4.504 4.504 4.581 -0.077 25974 2687 1 18 . 1 1 31 31 PHE H H 31 6.308 6.308 7.240 -0.932 25974 2688 1 18 . 1 1 32 32 ASP HA H 32 4.144 4.144 4.756 -0.612 25974 2689 1 18 . 1 1 33 33 ASN N N 33 113.110 113.110 116.698 -3.588 25974 2690 1 18 . 1 1 33 33 ASN HA H 33 4.673 4.673 4.859 -0.186 25974 2691 1 18 . 1 1 33 33 ASN H H 33 8.564 8.564 8.262 0.302 25974 2692 1 18 . 1 1 34 34 LYS N N 34 120.347 120.347 119.266 1.081 25974 2693 1 18 . 1 1 34 34 LYS HA H 34 4.984 4.984 4.346 0.638 25974 2694 1 18 . 1 1 34 34 LYS H H 34 7.914 7.914 8.268 -0.354 25974 2695 1 18 . 1 1 35 35 LYS N N 35 117.863 117.863 118.980 -1.117 25974 2696 1 18 . 1 1 35 35 LYS HA H 35 4.608 4.608 4.258 0.350 25974 2697 1 18 . 1 1 35 35 LYS H H 35 7.005 7.005 7.687 -0.682 25974 2698 1 18 . 1 1 36 36 CYS N N 36 118.915 118.915 119.449 -0.534 25974 2699 1 18 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.374 0.483 25974 2700 1 18 . 1 1 36 36 CYS H H 36 8.817 8.817 8.756 0.061 25974 2701 1 18 . 1 1 37 37 THR N N 37 121.008 121.008 120.747 0.261 25974 2702 1 18 . 1 1 37 37 THR HA H 37 4.300 4.300 4.426 -0.126 25974 2703 1 18 . 1 1 37 37 THR H H 37 9.980 9.980 8.589 1.391 25974 2704 1 18 . 1 1 38 38 LYS N N 38 122.326 122.326 120.265 2.061 25974 2705 1 18 . 1 1 38 38 LYS HA H 38 4.137 4.137 4.404 -0.267 25974 2706 1 18 . 1 1 38 38 LYS H H 38 7.287 7.287 7.682 -0.395 25974 2707 1 18 . 1 1 39 39 ASP N N 39 125.238 125.238 122.132 3.106 25974 2708 1 18 . 1 1 39 39 ASP HA H 39 4.578 4.578 4.574 0.004 25974 2709 1 18 . 1 1 39 39 ASP H H 39 8.817 8.817 8.540 0.277 25974 2710 1 18 . 1 1 40 40 ASN N N 40 114.713 114.713 120.812 -6.099 25974 2711 1 18 . 1 1 40 40 ASN HA H 40 4.272 4.272 4.265 0.007 25974 2712 1 18 . 1 1 40 40 ASN H H 40 9.532 9.532 8.649 0.883 25974 2713 1 18 . 1 1 41 41 ASN N N 41 120.080 120.080 117.000 3.080 25974 2714 1 18 . 1 1 41 41 ASN HA H 41 4.717 4.717 4.618 0.099 25974 2715 1 18 . 1 1 41 41 ASN H H 41 7.742 7.742 7.826 -0.084 25974 2716 1 18 . 1 1 42 42 LYS N N 42 118.956 118.956 121.451 -2.495 25974 2717 1 18 . 1 1 42 42 LYS HA H 42 4.346 4.346 4.507 -0.161 25974 2718 1 18 . 1 1 42 42 LYS H H 42 8.397 8.397 8.209 0.188 25974 2719 1 18 . 1 1 43 43 CYS N N 43 112.235 112.235 122.235 -10.000 25974 2720 1 18 . 1 1 43 43 CYS HA H 43 5.335 5.335 5.438 -0.103 25974 2721 1 18 . 1 1 43 43 CYS H H 43 7.397 7.397 8.807 -1.410 25974 2722 1 18 . 1 1 44 44 THR N N 44 112.586 112.586 115.168 -2.582 25974 2723 1 18 . 1 1 44 44 THR HA H 44 5.221 5.221 4.849 0.372 25974 2724 1 18 . 1 1 44 44 THR H H 44 8.674 8.674 7.880 0.794 25974 2725 1 18 . 1 1 45 45 VAL N N 45 121.814 121.814 117.392 4.422 25974 2726 1 18 . 1 1 45 45 VAL HA H 45 4.430 4.430 4.579 -0.149 25974 2727 1 18 . 1 1 45 45 VAL H H 45 8.555 8.555 8.839 -0.284 25974 2728 1 18 . 1 1 46 46 ASP N N 46 126.626 126.626 123.641 2.985 25974 2729 1 18 . 1 1 46 46 ASP HA H 46 5.334 5.334 5.036 0.298 25974 2730 1 18 . 1 1 46 46 ASP H H 46 8.519 8.519 8.280 0.239 25974 2731 1 18 . 1 1 47 47 THR N N 47 114.334 114.334 121.328 -6.994 25974 2732 1 18 . 1 1 47 47 THR HA H 47 4.187 4.187 4.298 -0.111 25974 2733 1 18 . 1 1 47 47 THR H H 47 9.116 9.116 8.972 0.144 25974 2734 1 18 . 1 1 48 48 TYR N N 48 124.010 124.010 121.795 2.215 25974 2735 1 18 . 1 1 48 48 TYR HA H 48 4.374 4.374 4.257 0.117 25974 2736 1 18 . 1 1 48 48 TYR H H 48 8.803 8.803 7.902 0.901 25974 2737 1 18 . 1 1 49 49 ASN N N 49 113.668 113.668 112.721 0.947 25974 2738 1 18 . 1 1 49 49 ASN HA H 49 4.475 4.475 4.795 -0.320 25974 2739 1 18 . 1 1 49 49 ASN H H 49 7.433 7.433 7.742 -0.309 25974 2740 1 18 . 1 1 50 50 ASN N N 50 117.403 117.403 116.955 0.448 25974 2741 1 18 . 1 1 50 50 ASN HA H 50 4.199 4.199 4.351 -0.152 25974 2742 1 18 . 1 1 50 50 ASN H H 50 7.863 7.863 8.218 -0.355 25974 2743 1 18 . 1 1 51 51 ALA N N 51 121.102 121.102 123.249 -2.147 25974 2744 1 18 . 1 1 51 51 ALA HA H 51 4.437 4.437 4.618 -0.181 25974 2745 1 18 . 1 1 51 51 ALA H H 51 7.853 7.853 7.820 0.033 25974 2746 1 18 . 1 1 52 52 VAL N N 52 126.326 126.326 123.700 2.626 25974 2747 1 18 . 1 1 52 52 VAL HA H 52 4.875 4.875 4.542 0.333 25974 2748 1 18 . 1 1 52 52 VAL H H 52 8.297 8.297 8.356 -0.059 25974 2749 1 18 . 1 1 53 53 ASP N N 53 125.100 125.100 130.164 -5.064 25974 2750 1 18 . 1 1 53 53 ASP HA H 53 4.795 4.795 4.908 -0.113 25974 2751 1 18 . 1 1 53 53 ASP H H 53 8.519 8.519 8.205 0.314 25974 2752 1 18 . 1 1 54 54 CYS N N 54 126.377 126.377 119.779 6.598 25974 2753 1 18 . 1 1 54 54 CYS HA H 54 4.678 4.678 4.288 0.390 25974 2754 1 18 . 1 1 54 54 CYS H H 54 8.609 8.609 8.085 0.524 25974 2755 1 19 . 1 1 2 2 LYS N N 2 119.918 119.918 121.223 -1.305 25974 2756 1 19 . 1 1 2 2 LYS HA H 2 5.230 5.230 4.058 1.172 25974 2757 1 19 . 1 1 2 2 LYS H H 2 8.167 8.167 8.044 0.123 25974 2758 1 19 . 1 1 3 3 TYR N N 3 122.493 122.493 117.381 5.112 25974 2759 1 19 . 1 1 3 3 TYR HA H 3 4.809 4.809 4.819 -0.010 25974 2760 1 19 . 1 1 3 3 TYR H H 3 8.939 8.939 8.538 0.401 25974 2761 1 19 . 1 1 4 4 THR N N 4 117.297 117.297 115.908 1.389 25974 2762 1 19 . 1 1 4 4 THR HA H 4 5.042 5.042 4.702 0.340 25974 2763 1 19 . 1 1 4 4 THR H H 4 8.885 8.885 8.571 0.314 25974 2764 1 19 . 1 1 5 5 GLY N N 5 115.452 115.452 112.166 3.286 25974 2765 1 19 . 1 1 5 5 GLY H H 5 9.135 9.135 9.200 -0.065 25974 2766 1 19 . 1 1 6 6 LYS N N 6 121.001 121.001 117.386 3.615 25974 2767 1 19 . 1 1 6 6 LYS HA H 6 5.378 5.378 5.101 0.277 25974 2768 1 19 . 1 1 6 6 LYS H H 6 8.422 8.422 8.277 0.145 25974 2769 1 19 . 1 1 7 7 CYS N N 7 122.647 122.647 117.078 5.569 25974 2770 1 19 . 1 1 7 7 CYS HA H 7 6.297 6.297 5.273 1.024 25974 2771 1 19 . 1 1 7 7 CYS H H 7 9.767 9.767 8.864 0.903 25974 2772 1 19 . 1 1 8 8 THR N N 8 113.493 113.493 114.463 -0.970 25974 2773 1 19 . 1 1 8 8 THR HA H 8 4.704 4.704 5.026 -0.322 25974 2774 1 19 . 1 1 8 8 THR H H 8 8.716 8.716 8.196 0.520 25974 2775 1 19 . 1 1 9 9 LYS N N 9 127.640 127.640 126.670 0.970 25974 2776 1 19 . 1 1 9 9 LYS HA H 9 3.493 3.493 3.972 -0.479 25974 2777 1 19 . 1 1 9 9 LYS H H 9 8.947 8.947 8.574 0.373 25974 2778 1 19 . 1 1 10 10 SER N N 10 116.726 116.726 116.394 0.332 25974 2779 1 19 . 1 1 10 10 SER HA H 10 4.006 4.006 4.187 -0.181 25974 2780 1 19 . 1 1 10 10 SER H H 10 9.484 9.484 7.873 1.611 25974 2781 1 19 . 1 1 11 11 LYS N N 11 116.973 116.973 117.483 -0.510 25974 2782 1 19 . 1 1 11 11 LYS HA H 11 4.153 4.153 4.426 -0.273 25974 2783 1 19 . 1 1 11 11 LYS H H 11 7.051 7.051 8.063 -1.012 25974 2784 1 19 . 1 1 12 12 ASN N N 12 120.652 120.652 120.008 0.644 25974 2785 1 19 . 1 1 12 12 ASN HA H 12 4.566 4.566 4.436 0.130 25974 2786 1 19 . 1 1 12 12 ASN H H 12 7.590 7.590 8.158 -0.568 25974 2787 1 19 . 1 1 13 13 GLU N N 13 115.322 115.322 122.707 -7.385 25974 2788 1 19 . 1 1 13 13 GLU HA H 13 4.896 4.896 4.320 0.576 25974 2789 1 19 . 1 1 13 13 GLU H H 13 7.290 7.290 8.222 -0.932 25974 2790 1 19 . 1 1 14 14 CYS N N 14 123.345 123.345 125.126 -1.781 25974 2791 1 19 . 1 1 14 14 CYS HA H 14 4.639 4.639 4.634 0.005 25974 2792 1 19 . 1 1 14 14 CYS H H 14 9.588 9.588 8.656 0.932 25974 2793 1 19 . 1 1 15 15 LYS N N 15 110.722 110.722 129.166 -18.444 25974 2794 1 19 . 1 1 15 15 LYS HA H 15 4.946 4.946 5.060 -0.114 25974 2795 1 19 . 1 1 15 15 LYS H H 15 8.636 8.636 8.362 0.274 25974 2796 1 19 . 1 1 16 16 TYR N N 16 126.630 126.630 120.289 6.341 25974 2797 1 19 . 1 1 16 16 TYR HA H 16 4.899 4.899 4.796 0.103 25974 2798 1 19 . 1 1 16 16 TYR H H 16 8.998 8.998 8.220 0.778 25974 2799 1 19 . 1 1 17 17 LYS N N 17 120.977 120.977 118.991 1.986 25974 2800 1 19 . 1 1 17 17 LYS HA H 17 4.406 4.406 4.489 -0.083 25974 2801 1 19 . 1 1 17 17 LYS H H 17 8.421 8.421 8.214 0.207 25974 2802 1 19 . 1 1 18 18 ASN N N 18 122.224 122.224 119.546 2.678 25974 2803 1 19 . 1 1 18 18 ASN HA H 18 4.102 4.102 4.423 -0.321 25974 2804 1 19 . 1 1 18 18 ASN H H 18 7.735 7.735 8.043 -0.308 25974 2805 1 19 . 1 1 19 19 ASP N N 19 117.436 117.436 120.636 -3.200 25974 2806 1 19 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.630 -0.246 25974 2807 1 19 . 1 1 19 19 ASP H H 19 8.238 8.238 7.957 0.281 25974 2808 1 19 . 1 1 20 20 ALA N N 20 120.895 120.895 119.382 1.513 25974 2809 1 19 . 1 1 20 20 ALA HA H 20 4.409 4.409 4.045 0.364 25974 2810 1 19 . 1 1 20 20 ALA H H 20 7.419 7.419 7.833 -0.414 25974 2811 1 19 . 1 1 21 21 GLY N N 21 127.668 127.668 102.419 25.249 25974 2812 1 19 . 1 1 21 21 GLY H H 21 8.170 8.170 7.971 0.199 25974 2813 1 19 . 1 1 22 22 LYS N N 22 120.354 120.354 123.608 -3.254 25974 2814 1 19 . 1 1 22 22 LYS HA H 22 4.309 4.309 4.113 0.196 25974 2815 1 19 . 1 1 22 22 LYS H H 22 7.682 7.682 7.971 -0.289 25974 2816 1 19 . 1 1 23 23 ASP N N 23 126.398 126.398 126.186 0.212 25974 2817 1 19 . 1 1 23 23 ASP HA H 23 4.256 4.256 4.765 -0.509 25974 2818 1 19 . 1 1 23 23 ASP H H 23 8.610 8.610 8.163 0.447 25974 2819 1 19 . 1 1 24 24 THR N N 24 122.770 122.770 119.323 3.447 25974 2820 1 19 . 1 1 24 24 THR HA H 24 4.012 4.012 4.175 -0.163 25974 2821 1 19 . 1 1 24 24 THR H H 24 8.782 8.782 8.209 0.573 25974 2822 1 19 . 1 1 25 25 PHE N N 25 122.423 122.423 124.623 -2.200 25974 2823 1 19 . 1 1 25 25 PHE HA H 25 5.404 5.404 4.911 0.493 25974 2824 1 19 . 1 1 25 25 PHE H H 25 8.328 8.328 8.133 0.195 25974 2825 1 19 . 1 1 26 26 ILE N N 26 123.029 123.029 119.247 3.782 25974 2826 1 19 . 1 1 26 26 ILE HA H 26 4.614 4.614 4.378 0.236 25974 2827 1 19 . 1 1 26 26 ILE H H 26 9.138 9.138 8.412 0.726 25974 2828 1 19 . 1 1 27 27 LYS N N 27 127.077 127.077 127.627 -0.550 25974 2829 1 19 . 1 1 27 27 LYS HA H 27 4.163 4.163 4.375 -0.212 25974 2830 1 19 . 1 1 27 27 LYS H H 27 8.335 8.335 8.192 0.143 25974 2831 1 19 . 1 1 28 28 CYS N N 28 120.248 120.248 124.214 -3.966 25974 2832 1 19 . 1 1 28 28 CYS HA H 28 4.659 4.659 4.418 0.241 25974 2833 1 19 . 1 1 28 28 CYS H H 28 8.618 8.618 8.840 -0.222 25974 2834 1 19 . 1 1 29 29 PRO HA H 29 4.426 4.426 4.286 0.140 25974 2835 1 19 . 1 1 30 30 LYS N N 30 115.643 115.643 118.056 -2.413 25974 2836 1 19 . 1 1 30 30 LYS HA H 30 3.949 3.949 3.847 0.102 25974 2837 1 19 . 1 1 30 30 LYS H H 30 8.002 8.002 8.507 -0.505 25974 2838 1 19 . 1 1 31 31 PHE N N 31 116.470 116.470 117.235 -0.765 25974 2839 1 19 . 1 1 31 31 PHE HA H 31 4.504 4.504 4.633 -0.129 25974 2840 1 19 . 1 1 31 31 PHE H H 31 6.308 6.308 7.421 -1.113 25974 2841 1 19 . 1 1 32 32 ASP HA H 32 4.144 4.144 4.513 -0.369 25974 2842 1 19 . 1 1 33 33 ASN N N 33 113.110 113.110 117.060 -3.950 25974 2843 1 19 . 1 1 33 33 ASN HA H 33 4.673 4.673 4.760 -0.087 25974 2844 1 19 . 1 1 33 33 ASN H H 33 8.564 8.564 8.286 0.278 25974 2845 1 19 . 1 1 34 34 LYS N N 34 120.347 120.347 118.965 1.382 25974 2846 1 19 . 1 1 34 34 LYS HA H 34 4.984 4.984 4.414 0.570 25974 2847 1 19 . 1 1 34 34 LYS H H 34 7.914 7.914 8.079 -0.165 25974 2848 1 19 . 1 1 35 35 LYS N N 35 117.863 117.863 119.655 -1.792 25974 2849 1 19 . 1 1 35 35 LYS HA H 35 4.608 4.608 4.298 0.310 25974 2850 1 19 . 1 1 35 35 LYS H H 35 7.005 7.005 7.396 -0.391 25974 2851 1 19 . 1 1 36 36 CYS N N 36 118.915 118.915 118.940 -0.025 25974 2852 1 19 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.428 0.429 25974 2853 1 19 . 1 1 36 36 CYS H H 36 8.817 8.817 8.690 0.127 25974 2854 1 19 . 1 1 37 37 THR N N 37 121.008 121.008 113.737 7.271 25974 2855 1 19 . 1 1 37 37 THR HA H 37 4.300 4.300 4.397 -0.097 25974 2856 1 19 . 1 1 37 37 THR H H 37 9.980 9.980 8.255 1.725 25974 2857 1 19 . 1 1 38 38 LYS N N 38 122.326 122.326 120.921 1.405 25974 2858 1 19 . 1 1 38 38 LYS HA H 38 4.137 4.137 4.457 -0.320 25974 2859 1 19 . 1 1 38 38 LYS H H 38 7.287 7.287 7.510 -0.223 25974 2860 1 19 . 1 1 39 39 ASP N N 39 125.238 125.238 121.514 3.724 25974 2861 1 19 . 1 1 39 39 ASP HA H 39 4.578 4.578 4.843 -0.265 25974 2862 1 19 . 1 1 39 39 ASP H H 39 8.817 8.817 8.503 0.314 25974 2863 1 19 . 1 1 40 40 ASN N N 40 114.713 114.713 120.703 -5.990 25974 2864 1 19 . 1 1 40 40 ASN HA H 40 4.272 4.272 4.258 0.014 25974 2865 1 19 . 1 1 40 40 ASN H H 40 9.532 9.532 8.709 0.823 25974 2866 1 19 . 1 1 41 41 ASN N N 41 120.080 120.080 117.130 2.950 25974 2867 1 19 . 1 1 41 41 ASN HA H 41 4.717 4.717 4.573 0.144 25974 2868 1 19 . 1 1 41 41 ASN H H 41 7.742 7.742 7.871 -0.129 25974 2869 1 19 . 1 1 42 42 LYS N N 42 118.956 118.956 120.994 -2.038 25974 2870 1 19 . 1 1 42 42 LYS HA H 42 4.346 4.346 4.509 -0.163 25974 2871 1 19 . 1 1 42 42 LYS H H 42 8.397 8.397 8.354 0.043 25974 2872 1 19 . 1 1 43 43 CYS N N 43 112.235 112.235 120.992 -8.757 25974 2873 1 19 . 1 1 43 43 CYS HA H 43 5.335 5.335 5.409 -0.074 25974 2874 1 19 . 1 1 43 43 CYS H H 43 7.397 7.397 8.675 -1.278 25974 2875 1 19 . 1 1 44 44 THR N N 44 112.586 112.586 116.767 -4.181 25974 2876 1 19 . 1 1 44 44 THR HA H 44 5.221 5.221 4.759 0.462 25974 2877 1 19 . 1 1 44 44 THR H H 44 8.674 8.674 8.384 0.290 25974 2878 1 19 . 1 1 45 45 VAL N N 45 121.814 121.814 125.024 -3.210 25974 2879 1 19 . 1 1 45 45 VAL HA H 45 4.430 4.430 3.914 0.516 25974 2880 1 19 . 1 1 45 45 VAL H H 45 8.555 8.555 8.786 -0.231 25974 2881 1 19 . 1 1 46 46 ASP N N 46 126.626 126.626 128.259 -1.633 25974 2882 1 19 . 1 1 46 46 ASP HA H 46 5.334 5.334 4.913 0.421 25974 2883 1 19 . 1 1 46 46 ASP H H 46 8.519 8.519 8.022 0.497 25974 2884 1 19 . 1 1 47 47 THR N N 47 114.334 114.334 120.080 -5.746 25974 2885 1 19 . 1 1 47 47 THR HA H 47 4.187 4.187 4.230 -0.043 25974 2886 1 19 . 1 1 47 47 THR H H 47 9.116 9.116 8.825 0.291 25974 2887 1 19 . 1 1 48 48 TYR N N 48 124.010 124.010 121.775 2.235 25974 2888 1 19 . 1 1 48 48 TYR HA H 48 4.374 4.374 4.252 0.122 25974 2889 1 19 . 1 1 48 48 TYR H H 48 8.803 8.803 8.242 0.561 25974 2890 1 19 . 1 1 49 49 ASN N N 49 113.668 113.668 113.662 0.006 25974 2891 1 19 . 1 1 49 49 ASN HA H 49 4.475 4.475 4.724 -0.249 25974 2892 1 19 . 1 1 49 49 ASN H H 49 7.433 7.433 7.778 -0.345 25974 2893 1 19 . 1 1 50 50 ASN N N 50 117.403 117.403 117.319 0.084 25974 2894 1 19 . 1 1 50 50 ASN HA H 50 4.199 4.199 4.329 -0.130 25974 2895 1 19 . 1 1 50 50 ASN H H 50 7.863 7.863 8.009 -0.146 25974 2896 1 19 . 1 1 51 51 ALA N N 51 121.102 121.102 121.935 -0.833 25974 2897 1 19 . 1 1 51 51 ALA HA H 51 4.437 4.437 4.473 -0.036 25974 2898 1 19 . 1 1 51 51 ALA H H 51 7.853 7.853 7.711 0.142 25974 2899 1 19 . 1 1 52 52 VAL N N 52 126.326 126.326 121.727 4.599 25974 2900 1 19 . 1 1 52 52 VAL HA H 52 4.875 4.875 4.401 0.474 25974 2901 1 19 . 1 1 52 52 VAL H H 52 8.297 8.297 8.039 0.258 25974 2902 1 19 . 1 1 53 53 ASP N N 53 125.100 125.100 130.106 -5.006 25974 2903 1 19 . 1 1 53 53 ASP HA H 53 4.795 4.795 4.828 -0.033 25974 2904 1 19 . 1 1 53 53 ASP H H 53 8.519 8.519 8.303 0.216 25974 2905 1 19 . 1 1 54 54 CYS N N 54 126.377 126.377 117.819 8.558 25974 2906 1 19 . 1 1 54 54 CYS HA H 54 4.678 4.678 4.437 0.241 25974 2907 1 19 . 1 1 54 54 CYS H H 54 8.609 8.609 7.823 0.786 25974 2908 1 20 . 1 1 2 2 LYS N N 2 119.918 119.918 120.353 -0.435 25974 2909 1 20 . 1 1 2 2 LYS HA H 2 5.230 5.230 4.533 0.697 25974 2910 1 20 . 1 1 2 2 LYS H H 2 8.167 8.167 7.592 0.575 25974 2911 1 20 . 1 1 3 3 TYR N N 3 122.493 122.493 126.549 -4.056 25974 2912 1 20 . 1 1 3 3 TYR HA H 3 4.809 4.809 4.762 0.047 25974 2913 1 20 . 1 1 3 3 TYR H H 3 8.939 8.939 8.754 0.185 25974 2914 1 20 . 1 1 4 4 THR N N 4 117.297 117.297 120.424 -3.127 25974 2915 1 20 . 1 1 4 4 THR HA H 4 5.042 5.042 4.744 0.298 25974 2916 1 20 . 1 1 4 4 THR H H 4 8.885 8.885 8.893 -0.008 25974 2917 1 20 . 1 1 5 5 GLY N N 5 115.452 115.452 112.627 2.825 25974 2918 1 20 . 1 1 5 5 GLY H H 5 9.135 9.135 8.045 1.090 25974 2919 1 20 . 1 1 6 6 LYS N N 6 121.001 121.001 116.888 4.113 25974 2920 1 20 . 1 1 6 6 LYS HA H 6 5.378 5.378 5.172 0.206 25974 2921 1 20 . 1 1 6 6 LYS H H 6 8.422 8.422 7.861 0.561 25974 2922 1 20 . 1 1 7 7 CYS N N 7 122.647 122.647 116.876 5.771 25974 2923 1 20 . 1 1 7 7 CYS HA H 7 6.297 6.297 5.053 1.244 25974 2924 1 20 . 1 1 7 7 CYS H H 7 9.767 9.767 8.675 1.092 25974 2925 1 20 . 1 1 8 8 THR N N 8 113.493 113.493 112.899 0.594 25974 2926 1 20 . 1 1 8 8 THR HA H 8 4.704 4.704 4.718 -0.014 25974 2927 1 20 . 1 1 8 8 THR H H 8 8.716 8.716 8.050 0.666 25974 2928 1 20 . 1 1 9 9 LYS N N 9 127.640 127.640 125.731 1.909 25974 2929 1 20 . 1 1 9 9 LYS HA H 9 3.493 3.493 4.013 -0.520 25974 2930 1 20 . 1 1 9 9 LYS H H 9 8.947 8.947 8.399 0.548 25974 2931 1 20 . 1 1 10 10 SER N N 10 116.726 116.726 117.277 -0.551 25974 2932 1 20 . 1 1 10 10 SER HA H 10 4.006 4.006 4.227 -0.221 25974 2933 1 20 . 1 1 10 10 SER H H 10 9.484 9.484 8.087 1.397 25974 2934 1 20 . 1 1 11 11 LYS N N 11 116.973 116.973 117.275 -0.302 25974 2935 1 20 . 1 1 11 11 LYS HA H 11 4.153 4.153 4.444 -0.291 25974 2936 1 20 . 1 1 11 11 LYS H H 11 7.051 7.051 8.188 -1.137 25974 2937 1 20 . 1 1 12 12 ASN N N 12 120.652 120.652 119.542 1.110 25974 2938 1 20 . 1 1 12 12 ASN HA H 12 4.566 4.566 4.458 0.108 25974 2939 1 20 . 1 1 12 12 ASN H H 12 7.590 7.590 8.319 -0.729 25974 2940 1 20 . 1 1 13 13 GLU N N 13 115.322 115.322 123.088 -7.766 25974 2941 1 20 . 1 1 13 13 GLU HA H 13 4.896 4.896 4.594 0.302 25974 2942 1 20 . 1 1 13 13 GLU H H 13 7.290 7.290 8.296 -1.006 25974 2943 1 20 . 1 1 14 14 CYS N N 14 123.345 123.345 127.054 -3.709 25974 2944 1 20 . 1 1 14 14 CYS HA H 14 4.639 4.639 5.022 -0.383 25974 2945 1 20 . 1 1 14 14 CYS H H 14 9.588 9.588 9.125 0.463 25974 2946 1 20 . 1 1 15 15 LYS N N 15 110.722 110.722 130.219 -19.497 25974 2947 1 20 . 1 1 15 15 LYS HA H 15 4.946 4.946 4.689 0.257 25974 2948 1 20 . 1 1 15 15 LYS H H 15 8.636 8.636 8.532 0.104 25974 2949 1 20 . 1 1 16 16 TYR N N 16 126.630 126.630 120.965 5.665 25974 2950 1 20 . 1 1 16 16 TYR HA H 16 4.899 4.899 4.793 0.106 25974 2951 1 20 . 1 1 16 16 TYR H H 16 8.998 8.998 8.014 0.984 25974 2952 1 20 . 1 1 17 17 LYS N N 17 120.977 120.977 120.405 0.572 25974 2953 1 20 . 1 1 17 17 LYS HA H 17 4.406 4.406 4.352 0.054 25974 2954 1 20 . 1 1 17 17 LYS H H 17 8.421 8.421 8.228 0.193 25974 2955 1 20 . 1 1 18 18 ASN N N 18 122.224 122.224 122.582 -0.358 25974 2956 1 20 . 1 1 18 18 ASN HA H 18 4.102 4.102 4.391 -0.289 25974 2957 1 20 . 1 1 18 18 ASN H H 18 7.735 7.735 8.342 -0.607 25974 2958 1 20 . 1 1 19 19 ASP N N 19 117.436 117.436 121.859 -4.423 25974 2959 1 20 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.439 -0.055 25974 2960 1 20 . 1 1 19 19 ASP H H 19 8.238 8.238 8.300 -0.062 25974 2961 1 20 . 1 1 20 20 ALA N N 20 120.895 120.895 119.024 1.871 25974 2962 1 20 . 1 1 20 20 ALA HA H 20 4.409 4.409 4.403 0.006 25974 2963 1 20 . 1 1 20 20 ALA H H 20 7.419 7.419 7.839 -0.420 25974 2964 1 20 . 1 1 21 21 GLY N N 21 127.668 127.668 105.879 21.789 25974 2965 1 20 . 1 1 21 21 GLY H H 21 8.170 8.170 7.992 0.178 25974 2966 1 20 . 1 1 22 22 LYS N N 22 120.354 120.354 123.193 -2.839 25974 2967 1 20 . 1 1 22 22 LYS HA H 22 4.309 4.309 4.093 0.216 25974 2968 1 20 . 1 1 22 22 LYS H H 22 7.682 7.682 7.985 -0.303 25974 2969 1 20 . 1 1 23 23 ASP N N 23 126.398 126.398 123.846 2.552 25974 2970 1 20 . 1 1 23 23 ASP HA H 23 4.256 4.256 4.551 -0.295 25974 2971 1 20 . 1 1 23 23 ASP H H 23 8.610 8.610 8.264 0.346 25974 2972 1 20 . 1 1 24 24 THR N N 24 122.770 122.770 119.546 3.224 25974 2973 1 20 . 1 1 24 24 THR HA H 24 4.012 4.012 4.617 -0.605 25974 2974 1 20 . 1 1 24 24 THR H H 24 8.782 8.782 7.852 0.930 25974 2975 1 20 . 1 1 25 25 PHE N N 25 122.423 122.423 128.358 -5.935 25974 2976 1 20 . 1 1 25 25 PHE HA H 25 5.404 5.404 4.687 0.717 25974 2977 1 20 . 1 1 25 25 PHE H H 25 8.328 8.328 9.065 -0.737 25974 2978 1 20 . 1 1 26 26 ILE N N 26 123.029 123.029 123.216 -0.187 25974 2979 1 20 . 1 1 26 26 ILE HA H 26 4.614 4.614 4.627 -0.013 25974 2980 1 20 . 1 1 26 26 ILE H H 26 9.138 9.138 8.973 0.165 25974 2981 1 20 . 1 1 27 27 LYS N N 27 127.077 127.077 127.568 -0.491 25974 2982 1 20 . 1 1 27 27 LYS HA H 27 4.163 4.163 4.397 -0.234 25974 2983 1 20 . 1 1 27 27 LYS H H 27 8.335 8.335 8.327 0.008 25974 2984 1 20 . 1 1 28 28 CYS N N 28 120.248 120.248 121.648 -1.400 25974 2985 1 20 . 1 1 28 28 CYS HA H 28 4.659 4.659 4.882 -0.223 25974 2986 1 20 . 1 1 28 28 CYS H H 28 8.618 8.618 8.542 0.076 25974 2987 1 20 . 1 1 29 29 PRO HA H 29 4.426 4.426 4.389 0.037 25974 2988 1 20 . 1 1 30 30 LYS N N 30 115.643 115.643 118.695 -3.052 25974 2989 1 20 . 1 1 30 30 LYS HA H 30 3.949 3.949 3.774 0.175 25974 2990 1 20 . 1 1 30 30 LYS H H 30 8.002 8.002 8.207 -0.205 25974 2991 1 20 . 1 1 31 31 PHE N N 31 116.470 116.470 116.454 0.016 25974 2992 1 20 . 1 1 31 31 PHE HA H 31 4.504 4.504 4.736 -0.232 25974 2993 1 20 . 1 1 31 31 PHE H H 31 6.308 6.308 7.294 -0.986 25974 2994 1 20 . 1 1 32 32 ASP HA H 32 4.144 4.144 4.456 -0.312 25974 2995 1 20 . 1 1 33 33 ASN N N 33 113.110 113.110 115.710 -2.600 25974 2996 1 20 . 1 1 33 33 ASN HA H 33 4.673 4.673 4.752 -0.079 25974 2997 1 20 . 1 1 33 33 ASN H H 33 8.564 8.564 8.156 0.408 25974 2998 1 20 . 1 1 34 34 LYS N N 34 120.347 120.347 118.308 2.039 25974 2999 1 20 . 1 1 34 34 LYS HA H 34 4.984 4.984 4.446 0.538 25974 3000 1 20 . 1 1 34 34 LYS H H 34 7.914 7.914 7.991 -0.077 25974 3001 1 20 . 1 1 35 35 LYS N N 35 117.863 117.863 118.314 -0.451 25974 3002 1 20 . 1 1 35 35 LYS HA H 35 4.608 4.608 4.342 0.266 25974 3003 1 20 . 1 1 35 35 LYS H H 35 7.005 7.005 7.450 -0.445 25974 3004 1 20 . 1 1 36 36 CYS N N 36 118.915 118.915 119.680 -0.765 25974 3005 1 20 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.366 0.491 25974 3006 1 20 . 1 1 36 36 CYS H H 36 8.817 8.817 8.869 -0.052 25974 3007 1 20 . 1 1 37 37 THR N N 37 121.008 121.008 113.365 7.643 25974 3008 1 20 . 1 1 37 37 THR HA H 37 4.300 4.300 4.484 -0.184 25974 3009 1 20 . 1 1 37 37 THR H H 37 9.980 9.980 8.562 1.418 25974 3010 1 20 . 1 1 38 38 LYS N N 38 122.326 122.326 120.491 1.835 25974 3011 1 20 . 1 1 38 38 LYS HA H 38 4.137 4.137 4.499 -0.362 25974 3012 1 20 . 1 1 38 38 LYS H H 38 7.287 7.287 7.546 -0.259 25974 3013 1 20 . 1 1 39 39 ASP N N 39 125.238 125.238 120.592 4.646 25974 3014 1 20 . 1 1 39 39 ASP HA H 39 4.578 4.578 4.637 -0.059 25974 3015 1 20 . 1 1 39 39 ASP H H 39 8.817 8.817 8.640 0.177 25974 3016 1 20 . 1 1 40 40 ASN N N 40 114.713 114.713 121.872 -7.159 25974 3017 1 20 . 1 1 40 40 ASN HA H 40 4.272 4.272 4.378 -0.106 25974 3018 1 20 . 1 1 40 40 ASN H H 40 9.532 9.532 8.920 0.612 25974 3019 1 20 . 1 1 41 41 ASN N N 41 120.080 120.080 116.217 3.863 25974 3020 1 20 . 1 1 41 41 ASN HA H 41 4.717 4.717 4.612 0.105 25974 3021 1 20 . 1 1 41 41 ASN H H 41 7.742 7.742 7.897 -0.155 25974 3022 1 20 . 1 1 42 42 LYS N N 42 118.956 118.956 119.969 -1.013 25974 3023 1 20 . 1 1 42 42 LYS HA H 42 4.346 4.346 4.625 -0.279 25974 3024 1 20 . 1 1 42 42 LYS H H 42 8.397 8.397 8.182 0.215 25974 3025 1 20 . 1 1 43 43 CYS N N 43 112.235 112.235 119.458 -7.223 25974 3026 1 20 . 1 1 43 43 CYS HA H 43 5.335 5.335 5.262 0.073 25974 3027 1 20 . 1 1 43 43 CYS H H 43 7.397 7.397 8.449 -1.052 25974 3028 1 20 . 1 1 44 44 THR N N 44 112.586 112.586 114.352 -1.766 25974 3029 1 20 . 1 1 44 44 THR HA H 44 5.221 5.221 4.998 0.223 25974 3030 1 20 . 1 1 44 44 THR H H 44 8.674 8.674 8.108 0.566 25974 3031 1 20 . 1 1 45 45 VAL N N 45 121.814 121.814 124.035 -2.221 25974 3032 1 20 . 1 1 45 45 VAL HA H 45 4.430 4.430 4.098 0.332 25974 3033 1 20 . 1 1 45 45 VAL H H 45 8.555 8.555 9.088 -0.533 25974 3034 1 20 . 1 1 46 46 ASP N N 46 126.626 126.626 126.788 -0.162 25974 3035 1 20 . 1 1 46 46 ASP HA H 46 5.334 5.334 4.956 0.378 25974 3036 1 20 . 1 1 46 46 ASP H H 46 8.519 8.519 8.160 0.359 25974 3037 1 20 . 1 1 47 47 THR N N 47 114.334 114.334 119.726 -5.392 25974 3038 1 20 . 1 1 47 47 THR HA H 47 4.187 4.187 4.539 -0.352 25974 3039 1 20 . 1 1 47 47 THR H H 47 9.116 9.116 8.839 0.277 25974 3040 1 20 . 1 1 48 48 TYR N N 48 124.010 124.010 121.041 2.969 25974 3041 1 20 . 1 1 48 48 TYR HA H 48 4.374 4.374 4.663 -0.289 25974 3042 1 20 . 1 1 48 48 TYR H H 48 8.803 8.803 8.084 0.719 25974 3043 1 20 . 1 1 49 49 ASN N N 49 113.668 113.668 116.365 -2.697 25974 3044 1 20 . 1 1 49 49 ASN HA H 49 4.475 4.475 4.664 -0.189 25974 3045 1 20 . 1 1 49 49 ASN H H 49 7.433 7.433 7.994 -0.561 25974 3046 1 20 . 1 1 50 50 ASN N N 50 117.403 117.403 118.687 -1.284 25974 3047 1 20 . 1 1 50 50 ASN HA H 50 4.199 4.199 4.391 -0.192 25974 3048 1 20 . 1 1 50 50 ASN H H 50 7.863 7.863 7.949 -0.086 25974 3049 1 20 . 1 1 51 51 ALA N N 51 121.102 121.102 125.555 -4.453 25974 3050 1 20 . 1 1 51 51 ALA HA H 51 4.437 4.437 4.395 0.042 25974 3051 1 20 . 1 1 51 51 ALA H H 51 7.853 7.853 7.641 0.212 25974 3052 1 20 . 1 1 52 52 VAL N N 52 126.326 126.326 122.794 3.532 25974 3053 1 20 . 1 1 52 52 VAL HA H 52 4.875 4.875 4.748 0.127 25974 3054 1 20 . 1 1 52 52 VAL H H 52 8.297 8.297 8.368 -0.071 25974 3055 1 20 . 1 1 53 53 ASP N N 53 125.100 125.100 130.241 -5.141 25974 3056 1 20 . 1 1 53 53 ASP HA H 53 4.795 4.795 4.930 -0.135 25974 3057 1 20 . 1 1 53 53 ASP H H 53 8.519 8.519 8.726 -0.207 25974 3058 1 20 . 1 1 54 54 CYS N N 54 126.377 126.377 117.945 8.432 25974 3059 1 20 . 1 1 54 54 CYS HA H 54 4.678 4.678 4.367 0.311 25974 3060 1 20 . 1 1 54 54 CYS H H 54 8.609 8.609 8.030 0.579 25974 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 51 5.136 -0.091 5.186 25974 2 1 1 "Average Difference" HA 55 0.345 -0.027 0.347 25974 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25974 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25974 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25974 6 1 1 "Average Difference" HN 51 0.565 -0.077 0.565 25974 7 1 2 "Average Difference" N 51 5.311 0.038 5.364 25974 8 1 2 "Average Difference" HA 55 0.329 -0.006 0.332 25974 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25974 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25974 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25974 12 1 2 "Average Difference" HN 51 0.578 -0.065 0.580 25974 13 1 3 "Average Difference" N 51 5.258 -0.481 5.288 25974 14 1 3 "Average Difference" HA 55 0.399 -0.048 0.399 25974 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25974 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25974 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25974 18 1 3 "Average Difference" HN 51 0.599 -0.128 0.591 25974 19 1 4 "Average Difference" N 51 5.678 0.155 5.732 25974 20 1 4 "Average Difference" HA 55 0.340 -0.007 0.343 25974 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25974 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25974 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25974 24 1 4 "Average Difference" HN 51 0.571 -0.083 0.571 25974 25 1 5 "Average Difference" N 51 5.241 0.196 5.289 25974 26 1 5 "Average Difference" HA 55 0.367 -0.032 0.369 25974 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25974 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25974 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25974 30 1 5 "Average Difference" HN 51 0.624 -0.077 0.626 25974 31 1 6 "Average Difference" N 51 5.299 0.070 5.351 25974 32 1 6 "Average Difference" HA 55 0.338 -0.009 0.340 25974 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25974 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25974 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25974 36 1 6 "Average Difference" HN 51 0.573 -0.061 0.575 25974 37 1 7 "Average Difference" N 51 5.075 -0.000 5.126 25974 38 1 7 "Average Difference" HA 55 0.321 0.016 0.324 25974 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25974 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25974 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25974 42 1 7 "Average Difference" HN 51 0.610 -0.010 0.616 25974 43 1 8 "Average Difference" N 51 5.055 -0.003 5.105 25974 44 1 8 "Average Difference" HA 55 0.311 0.023 0.313 25974 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25974 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25974 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25974 48 1 8 "Average Difference" HN 51 0.571 0.014 0.576 25974 49 1 9 "Average Difference" N 51 5.218 -0.072 5.270 25974 50 1 9 "Average Difference" HA 55 0.334 0.020 0.337 25974 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25974 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25974 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25974 54 1 9 "Average Difference" HN 51 0.579 0.007 0.585 25974 55 1 10 "Average Difference" N 51 5.328 0.025 5.381 25974 56 1 10 "Average Difference" HA 55 0.317 -0.013 0.320 25974 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25974 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25974 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25974 60 1 10 "Average Difference" HN 51 0.634 -0.047 0.638 25974 61 1 11 "Average Difference" N 51 5.500 -0.196 5.551 25974 62 1 11 "Average Difference" HA 55 0.305 -0.016 0.308 25974 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25974 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25974 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25974 66 1 11 "Average Difference" HN 51 0.598 -0.063 0.601 25974 67 1 12 "Average Difference" N 51 5.183 -0.026 5.235 25974 68 1 12 "Average Difference" HA 55 0.339 -0.018 0.341 25974 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25974 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25974 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25974 72 1 12 "Average Difference" HN 51 0.592 -0.085 0.592 25974 73 1 13 "Average Difference" N 51 5.553 -0.230 5.603 25974 74 1 13 "Average Difference" HA 55 0.350 -0.054 0.349 25974 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25974 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25974 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25974 78 1 13 "Average Difference" HN 51 0.587 -0.086 0.587 25974 79 1 14 "Average Difference" N 51 5.457 0.155 5.509 25974 80 1 14 "Average Difference" HA 55 0.311 -0.036 0.312 25974 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25974 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25974 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25974 84 1 14 "Average Difference" HN 51 0.579 -0.074 0.580 25974 85 1 15 "Average Difference" N 51 5.244 -0.007 5.296 25974 86 1 15 "Average Difference" HA 55 0.333 -0.014 0.336 25974 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25974 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25974 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25974 90 1 15 "Average Difference" HN 51 0.606 -0.099 0.604 25974 91 1 16 "Average Difference" N 51 5.292 0.172 5.342 25974 92 1 16 "Average Difference" HA 55 0.362 -0.019 0.365 25974 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25974 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25974 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25974 96 1 16 "Average Difference" HN 51 0.596 -0.056 0.600 25974 97 1 17 "Average Difference" N 51 5.270 -0.039 5.322 25974 98 1 17 "Average Difference" HA 55 0.330 0.016 0.332 25974 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25974 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25974 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25974 102 1 17 "Average Difference" HN 51 0.642 -0.055 0.646 25974 103 1 18 "Average Difference" N 51 5.136 -0.003 5.187 25974 104 1 18 "Average Difference" HA 55 0.331 -0.048 0.331 25974 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25974 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25974 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25974 108 1 18 "Average Difference" HN 51 0.619 -0.122 0.613 25974 109 1 19 "Average Difference" N 51 5.695 -0.165 5.749 25974 110 1 19 "Average Difference" HA 55 0.358 -0.065 0.355 25974 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25974 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25974 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25974 114 1 19 "Average Difference" HN 51 0.602 -0.140 0.591 25974 115 1 20 "Average Difference" N 51 5.505 0.264 5.554 25974 116 1 20 "Average Difference" HA 55 0.345 -0.011 0.348 25974 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25974 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25974 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25974 120 1 20 "Average Difference" HN 51 0.613 -0.106 0.610 25974 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 25974 _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 2 2 LYS N N 2 119.918 119.918 120.897 -0.979 25974 2 1 . 1 1 2 2 LYS HA H 2 5.230 5.230 4.280 0.950 25974 3 1 . 1 1 2 2 LYS H H 2 8.167 8.167 7.859 0.308 25974 4 1 . 1 1 3 3 TYR N N 3 122.493 122.493 122.492 0.001 25974 5 1 . 1 1 3 3 TYR HA H 3 4.809 4.809 4.726 0.083 25974 6 1 . 1 1 3 3 TYR H H 3 8.939 8.939 8.703 0.236 25974 7 1 . 1 1 4 4 THR N N 4 117.297 117.297 117.287 0.010 25974 8 1 . 1 1 4 4 THR HA H 4 5.042 5.042 4.630 0.412 25974 9 1 . 1 1 4 4 THR H H 4 8.885 8.885 8.588 0.297 25974 10 1 . 1 1 5 5 GLY N N 5 115.452 115.452 112.480 2.972 25974 11 1 . 1 1 5 5 GLY H H 5 9.135 9.135 8.969 0.166 25974 12 1 . 1 1 6 6 LYS N N 6 121.001 121.001 117.123 3.878 25974 13 1 . 1 1 6 6 LYS HA H 6 5.378 5.378 5.171 0.207 25974 14 1 . 1 1 6 6 LYS H H 6 8.422 8.422 8.065 0.357 25974 15 1 . 1 1 7 7 CYS N N 7 122.647 122.647 117.181 5.466 25974 16 1 . 1 1 7 7 CYS HA H 7 6.297 6.297 5.250 1.047 25974 17 1 . 1 1 7 7 CYS H H 7 9.767 9.767 8.865 0.902 25974 18 1 . 1 1 8 8 THR N N 8 113.493 113.493 114.225 -0.732 25974 19 1 . 1 1 8 8 THR HA H 8 4.704 4.704 4.842 -0.138 25974 20 1 . 1 1 8 8 THR H H 8 8.716 8.716 8.189 0.527 25974 21 1 . 1 1 9 9 LYS N N 9 127.640 127.640 126.004 1.636 25974 22 1 . 1 1 9 9 LYS HA H 9 3.493 3.493 4.055 -0.562 25974 23 1 . 1 1 9 9 LYS H H 9 8.947 8.947 8.543 0.404 25974 24 1 . 1 1 10 10 SER N N 10 116.726 116.726 115.983 0.743 25974 25 1 . 1 1 10 10 SER HA H 10 4.006 4.006 4.225 -0.219 25974 26 1 . 1 1 10 10 SER H H 10 9.484 9.484 8.073 1.411 25974 27 1 . 1 1 11 11 LYS N N 11 116.973 116.973 118.282 -1.309 25974 28 1 . 1 1 11 11 LYS HA H 11 4.153 4.153 4.406 -0.253 25974 29 1 . 1 1 11 11 LYS H H 11 7.051 7.051 8.086 -1.035 25974 30 1 . 1 1 12 12 ASN N N 12 120.652 120.652 118.618 2.034 25974 31 1 . 1 1 12 12 ASN HA H 12 4.566 4.566 4.461 0.105 25974 32 1 . 1 1 12 12 ASN H H 12 7.590 7.590 8.257 -0.667 25974 33 1 . 1 1 13 13 GLU N N 13 115.322 115.322 122.942 -7.620 25974 34 1 . 1 1 13 13 GLU HA H 13 4.896 4.896 4.441 0.455 25974 35 1 . 1 1 13 13 GLU H H 13 7.290 7.290 8.337 -1.047 25974 36 1 . 1 1 14 14 CYS N N 14 123.345 123.345 125.775 -2.430 25974 37 1 . 1 1 14 14 CYS HA H 14 4.639 4.639 4.717 -0.078 25974 38 1 . 1 1 14 14 CYS H H 14 9.588 9.588 8.820 0.768 25974 39 1 . 1 1 15 15 LYS N N 15 110.722 110.722 129.760 -19.038 25974 40 1 . 1 1 15 15 LYS HA H 15 4.946 4.946 5.128 -0.182 25974 41 1 . 1 1 15 15 LYS H H 15 8.636 8.636 8.683 -0.047 25974 42 1 . 1 1 16 16 TYR N N 16 126.630 126.630 120.572 6.058 25974 43 1 . 1 1 16 16 TYR HA H 16 4.899 4.899 4.835 0.064 25974 44 1 . 1 1 16 16 TYR H H 16 8.998 8.998 8.600 0.398 25974 45 1 . 1 1 17 17 LYS N N 17 120.977 120.977 119.386 1.591 25974 46 1 . 1 1 17 17 LYS HA H 17 4.406 4.406 4.586 -0.180 25974 47 1 . 1 1 17 17 LYS H H 17 8.421 8.421 8.208 0.213 25974 48 1 . 1 1 18 18 ASN N N 18 122.224 122.224 120.168 2.056 25974 49 1 . 1 1 18 18 ASN HA H 18 4.102 4.102 4.420 -0.318 25974 50 1 . 1 1 18 18 ASN H H 18 7.735 7.735 8.107 -0.372 25974 51 1 . 1 1 19 19 ASP N N 19 117.436 117.436 120.874 -3.438 25974 52 1 . 1 1 19 19 ASP HA H 19 4.384 4.384 4.459 -0.075 25974 53 1 . 1 1 19 19 ASP H H 19 8.238 8.238 8.476 -0.238 25974 54 1 . 1 1 20 20 ALA N N 20 120.895 120.895 120.193 0.702 25974 55 1 . 1 1 20 20 ALA HA H 20 4.409 4.409 4.360 0.049 25974 56 1 . 1 1 20 20 ALA H H 20 7.419 7.419 7.951 -0.532 25974 57 1 . 1 1 21 21 GLY N N 21 127.668 127.668 106.243 21.425 25974 58 1 . 1 1 21 21 GLY H H 21 8.170 8.170 7.989 0.181 25974 59 1 . 1 1 22 22 LYS N N 22 120.354 120.354 122.586 -2.232 25974 60 1 . 1 1 22 22 LYS HA H 22 4.309 4.309 4.117 0.192 25974 61 1 . 1 1 22 22 LYS H H 22 7.682 7.682 7.865 -0.183 25974 62 1 . 1 1 23 23 ASP N N 23 126.398 126.398 125.402 0.996 25974 63 1 . 1 1 23 23 ASP HA H 23 4.256 4.256 4.583 -0.327 25974 64 1 . 1 1 23 23 ASP H H 23 8.610 8.610 8.298 0.312 25974 65 1 . 1 1 24 24 THR N N 24 122.770 122.770 119.381 3.389 25974 66 1 . 1 1 24 24 THR HA H 24 4.012 4.012 4.328 -0.316 25974 67 1 . 1 1 24 24 THR H H 24 8.782 8.782 8.162 0.620 25974 68 1 . 1 1 25 25 PHE N N 25 122.423 122.423 125.294 -2.871 25974 69 1 . 1 1 25 25 PHE HA H 25 5.404 5.404 4.978 0.426 25974 70 1 . 1 1 25 25 PHE H H 25 8.328 8.328 8.469 -0.141 25974 71 1 . 1 1 26 26 ILE N N 26 123.029 123.029 123.471 -0.442 25974 72 1 . 1 1 26 26 ILE HA H 26 4.614 4.614 4.571 0.043 25974 73 1 . 1 1 26 26 ILE H H 26 9.138 9.138 8.912 0.227 25974 74 1 . 1 1 27 27 LYS N N 27 127.077 127.077 127.796 -0.719 25974 75 1 . 1 1 27 27 LYS HA H 27 4.163 4.163 4.282 -0.119 25974 76 1 . 1 1 27 27 LYS H H 27 8.335 8.335 8.353 -0.018 25974 77 1 . 1 1 28 28 CYS N N 28 120.248 120.248 121.318 -1.070 25974 78 1 . 1 1 28 28 CYS HA H 28 4.659 4.659 4.764 -0.105 25974 79 1 . 1 1 28 28 CYS H H 28 8.618 8.618 8.647 -0.029 25974 80 1 . 1 1 29 29 PRO HA H 29 4.426 4.426 4.356 0.070 25974 81 1 . 1 1 30 30 LYS N N 30 115.643 115.643 118.728 -3.085 25974 82 1 . 1 1 30 30 LYS HA H 30 3.949 3.949 3.843 0.106 25974 83 1 . 1 1 30 30 LYS H H 30 8.002 8.002 8.252 -0.250 25974 84 1 . 1 1 31 31 PHE N N 31 116.470 116.470 116.286 0.184 25974 85 1 . 1 1 31 31 PHE HA H 31 4.504 4.504 4.637 -0.133 25974 86 1 . 1 1 31 31 PHE H H 31 6.308 6.308 7.477 -1.169 25974 87 1 . 1 1 32 32 ASP HA H 32 4.144 4.144 4.607 -0.463 25974 88 1 . 1 1 33 33 ASN N N 33 113.110 113.110 116.300 -3.190 25974 89 1 . 1 1 33 33 ASN HA H 33 4.673 4.673 4.823 -0.150 25974 90 1 . 1 1 33 33 ASN H H 33 8.564 8.564 8.286 0.278 25974 91 1 . 1 1 34 34 LYS N N 34 120.347 120.347 118.584 1.763 25974 92 1 . 1 1 34 34 LYS HA H 34 4.984 4.984 4.456 0.528 25974 93 1 . 1 1 34 34 LYS H H 34 7.914 7.914 8.114 -0.200 25974 94 1 . 1 1 35 35 LYS N N 35 117.863 117.863 118.437 -0.574 25974 95 1 . 1 1 35 35 LYS HA H 35 4.608 4.608 4.307 0.301 25974 96 1 . 1 1 35 35 LYS H H 35 7.005 7.005 7.617 -0.612 25974 97 1 . 1 1 36 36 CYS N N 36 118.915 118.915 119.853 -0.938 25974 98 1 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.404 0.453 25974 99 1 . 1 1 36 36 CYS H H 36 8.817 8.817 8.662 0.155 25974 100 1 . 1 1 37 37 THR N N 37 121.008 121.008 115.950 5.058 25974 101 1 . 1 1 37 37 THR HA H 37 4.300 4.300 4.421 -0.121 25974 102 1 . 1 1 37 37 THR H H 37 9.980 9.980 8.431 1.549 25974 103 1 . 1 1 38 38 LYS N N 38 122.326 122.326 120.717 1.609 25974 104 1 . 1 1 38 38 LYS HA H 38 4.137 4.137 4.465 -0.328 25974 105 1 . 1 1 38 38 LYS H H 38 7.287 7.287 7.585 -0.298 25974 106 1 . 1 1 39 39 ASP N N 39 125.238 125.238 120.707 4.531 25974 107 1 . 1 1 39 39 ASP HA H 39 4.578 4.578 4.632 -0.054 25974 108 1 . 1 1 39 39 ASP H H 39 8.817 8.817 8.490 0.327 25974 109 1 . 1 1 40 40 ASN N N 40 114.713 114.713 120.747 -6.034 25974 110 1 . 1 1 40 40 ASN HA H 40 4.272 4.272 4.280 -0.008 25974 111 1 . 1 1 40 40 ASN H H 40 9.532 9.532 8.875 0.656 25974 112 1 . 1 1 41 41 ASN N N 41 120.080 120.080 116.372 3.708 25974 113 1 . 1 1 41 41 ASN HA H 41 4.717 4.717 4.622 0.095 25974 114 1 . 1 1 41 41 ASN H H 41 7.742 7.742 7.875 -0.133 25974 115 1 . 1 1 42 42 LYS N N 42 118.956 118.956 120.482 -1.526 25974 116 1 . 1 1 42 42 LYS HA H 42 4.346 4.346 4.552 -0.206 25974 117 1 . 1 1 42 42 LYS H H 42 8.397 8.397 8.314 0.083 25974 118 1 . 1 1 43 43 CYS N N 43 112.235 112.235 120.849 -8.614 25974 119 1 . 1 1 43 43 CYS HA H 43 5.335 5.335 5.412 -0.077 25974 120 1 . 1 1 43 43 CYS H H 43 7.397 7.397 8.714 -1.317 25974 121 1 . 1 1 44 44 THR N N 44 112.586 112.586 115.666 -3.080 25974 122 1 . 1 1 44 44 THR HA H 44 5.221 5.221 5.029 0.192 25974 123 1 . 1 1 44 44 THR H H 44 8.674 8.674 8.225 0.449 25974 124 1 . 1 1 45 45 VAL N N 45 121.814 121.814 123.158 -1.344 25974 125 1 . 1 1 45 45 VAL HA H 45 4.430 4.430 4.194 0.236 25974 126 1 . 1 1 45 45 VAL H H 45 8.555 8.555 8.644 -0.089 25974 127 1 . 1 1 46 46 ASP N N 46 126.626 126.626 126.480 0.146 25974 128 1 . 1 1 46 46 ASP HA H 46 5.334 5.334 5.035 0.299 25974 129 1 . 1 1 46 46 ASP H H 46 8.519 8.519 8.411 0.108 25974 130 1 . 1 1 47 47 THR N N 47 114.334 114.334 119.273 -4.939 25974 131 1 . 1 1 47 47 THR HA H 47 4.187 4.187 4.398 -0.211 25974 132 1 . 1 1 47 47 THR H H 47 9.116 9.116 8.767 0.349 25974 133 1 . 1 1 48 48 TYR N N 48 124.010 124.010 121.798 2.212 25974 134 1 . 1 1 48 48 TYR HA H 48 4.374 4.374 4.514 -0.140 25974 135 1 . 1 1 48 48 TYR H H 48 8.803 8.803 8.102 0.701 25974 136 1 . 1 1 49 49 ASN N N 49 113.668 113.668 114.683 -1.015 25974 137 1 . 1 1 49 49 ASN HA H 49 4.475 4.475 4.659 -0.184 25974 138 1 . 1 1 49 49 ASN H H 49 7.433 7.433 7.905 -0.472 25974 139 1 . 1 1 50 50 ASN N N 50 117.403 117.403 118.190 -0.787 25974 140 1 . 1 1 50 50 ASN HA H 50 4.199 4.199 4.343 -0.144 25974 141 1 . 1 1 50 50 ASN H H 50 7.863 7.863 8.068 -0.205 25974 142 1 . 1 1 51 51 ALA N N 51 121.102 121.102 123.262 -2.160 25974 143 1 . 1 1 51 51 ALA HA H 51 4.437 4.437 4.496 -0.059 25974 144 1 . 1 1 51 51 ALA H H 51 7.853 7.853 7.719 0.134 25974 145 1 . 1 1 52 52 VAL N N 52 126.326 126.326 121.531 4.795 25974 146 1 . 1 1 52 52 VAL HA H 52 4.875 4.875 4.691 0.184 25974 147 1 . 1 1 52 52 VAL H H 52 8.297 8.297 8.260 0.037 25974 148 1 . 1 1 53 53 ASP N N 53 125.100 125.100 128.478 -3.378 25974 149 1 . 1 1 53 53 ASP HA H 53 4.795 4.795 4.992 -0.197 25974 150 1 . 1 1 53 53 ASP H H 53 8.519 8.519 8.462 0.057 25974 151 1 . 1 1 54 54 CYS N N 54 126.377 126.377 119.191 7.186 25974 152 1 . 1 1 54 54 CYS HA H 54 4.678 4.678 4.369 0.309 25974 153 1 . 1 1 54 54 CYS H H 54 8.609 8.609 8.165 0.444 25974 stop_ save_