data_18484 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18484 _Entry.PDB_ID 2LTJ 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 18484 _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 GLY N N 2 110.403 110.403 108.754 1.649 18484 2 1 1 . 1 1 2 2 GLY H H 2 8.459 8.459 8.335 0.124 18484 3 1 1 . 1 1 10 10 SER HA H 10 4.435 4.435 4.713 -0.278 18484 4 1 1 . 1 1 11 11 SER CA C 11 57.649 57.649 58.855 -1.206 18484 5 1 1 . 1 1 11 11 SER CB C 11 62.672 62.672 63.396 -0.724 18484 6 1 1 . 1 1 12 12 GLY N N 12 110.471 110.471 113.674 -3.203 18484 7 1 1 . 1 1 12 12 GLY CA C 12 45.312 45.312 45.205 0.107 18484 8 1 1 . 1 1 12 12 GLY H H 12 8.365 8.365 8.703 -0.338 18484 9 1 1 . 1 1 13 13 LEU N N 13 121.432 121.432 120.885 0.547 18484 10 1 1 . 1 1 13 13 LEU HA H 13 4.327 4.327 4.499 -0.172 18484 11 1 1 . 1 1 13 13 LEU CA C 13 55.573 55.573 55.339 0.235 18484 12 1 1 . 1 1 13 13 LEU CB C 13 42.428 42.428 42.196 0.232 18484 13 1 1 . 1 1 13 13 LEU H H 13 8.024 8.024 7.623 0.401 18484 14 1 1 . 1 1 14 14 VAL N N 14 122.309 122.309 114.759 7.550 18484 15 1 1 . 1 1 14 14 VAL H H 14 8.062 8.062 7.908 0.154 18484 16 1 1 . 1 1 16 16 ARG N N 16 121.951 121.951 116.892 5.059 18484 17 1 1 . 1 1 16 16 ARG HA H 16 4.312 4.312 4.083 0.229 18484 18 1 1 . 1 1 16 16 ARG CA C 16 56.102 56.102 56.373 -0.271 18484 19 1 1 . 1 1 16 16 ARG CB C 16 30.891 30.891 29.133 1.758 18484 20 1 1 . 1 1 16 16 ARG H H 16 8.465 8.465 8.336 0.129 18484 21 1 1 . 1 1 20 20 MET HA H 20 4.435 4.435 4.650 -0.215 18484 22 1 1 . 1 1 20 20 MET CA C 20 55.500 55.500 55.395 0.105 18484 23 1 1 . 1 1 20 20 MET CB C 20 32.070 32.070 33.399 -1.329 18484 24 1 1 . 1 1 21 21 SER N N 21 117.005 117.005 116.171 0.834 18484 25 1 1 . 1 1 21 21 SER HA H 21 4.435 4.435 4.669 -0.234 18484 26 1 1 . 1 1 21 21 SER CA C 21 57.066 57.066 57.656 -0.590 18484 27 1 1 . 1 1 21 21 SER CB C 21 62.566 62.566 64.693 -2.127 18484 28 1 1 . 1 1 21 21 SER H H 21 8.332 8.332 8.133 0.199 18484 29 1 1 . 1 1 22 22 LEU N N 22 124.083 124.083 124.670 -0.587 18484 30 1 1 . 1 1 22 22 LEU HA H 22 4.348 4.348 4.387 -0.039 18484 31 1 1 . 1 1 22 22 LEU CA C 22 55.471 55.471 55.687 -0.215 18484 32 1 1 . 1 1 22 22 LEU CB C 22 42.322 42.322 42.177 0.145 18484 33 1 1 . 1 1 22 22 LEU H H 22 8.340 8.340 8.677 -0.337 18484 34 1 1 . 1 1 23 23 ASP N N 23 120.867 120.867 123.472 -2.605 18484 35 1 1 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.732 -0.166 18484 36 1 1 . 1 1 23 23 ASP CA C 23 54.687 54.687 53.990 0.697 18484 37 1 1 . 1 1 23 23 ASP CB C 23 41.553 41.553 41.379 0.174 18484 38 1 1 . 1 1 23 23 ASP H H 23 8.312 8.312 8.567 -0.255 18484 39 1 1 . 1 1 24 24 GLU N N 24 121.470 121.470 120.054 1.416 18484 40 1 1 . 1 1 24 24 GLU HA H 24 4.566 4.566 4.316 0.250 18484 41 1 1 . 1 1 24 24 GLU CA C 24 56.921 56.921 56.983 -0.062 18484 42 1 1 . 1 1 24 24 GLU CB C 24 30.015 30.015 30.385 -0.370 18484 43 1 1 . 1 1 24 24 GLU H H 24 8.411 8.411 7.852 0.559 18484 44 1 1 . 1 1 25 25 ASN N N 25 118.582 118.582 119.286 -0.704 18484 45 1 1 . 1 1 25 25 ASN HA H 25 4.707 4.707 4.892 -0.185 18484 46 1 1 . 1 1 25 25 ASN CA C 25 53.593 53.593 52.994 0.599 18484 47 1 1 . 1 1 25 25 ASN CB C 25 39.188 39.188 39.036 0.152 18484 48 1 1 . 1 1 25 25 ASN H H 25 8.436 8.436 8.565 -0.129 18484 49 1 1 . 1 1 26 26 GLU N N 26 121.262 121.262 120.443 0.819 18484 50 1 1 . 1 1 26 26 GLU HA H 26 4.247 4.247 4.479 -0.232 18484 51 1 1 . 1 1 26 26 GLU CA C 26 56.310 56.310 55.346 0.964 18484 52 1 1 . 1 1 26 26 GLU CB C 26 30.342 30.342 32.034 -1.692 18484 53 1 1 . 1 1 26 26 GLU H H 26 8.196 8.196 8.131 0.065 18484 54 1 1 . 1 1 27 27 VAL N N 27 121.381 121.381 116.048 5.333 18484 55 1 1 . 1 1 27 27 VAL HA H 27 4.036 4.036 3.872 0.164 18484 56 1 1 . 1 1 27 27 VAL CA C 27 62.396 62.396 64.830 -2.434 18484 57 1 1 . 1 1 27 27 VAL CB C 27 32.770 32.770 31.592 1.178 18484 58 1 1 . 1 1 27 27 VAL H H 27 8.092 8.092 8.290 -0.198 18484 59 1 1 . 1 1 28 28 ALA N N 28 127.549 127.549 122.542 5.007 18484 60 1 1 . 1 1 28 28 ALA HA H 28 4.300 4.300 4.383 -0.083 18484 61 1 1 . 1 1 28 28 ALA CA C 28 52.388 52.388 52.483 -0.095 18484 62 1 1 . 1 1 28 28 ALA CB C 28 20.383 20.383 19.779 0.605 18484 63 1 1 . 1 1 28 28 ALA H H 28 8.280 8.280 8.299 -0.019 18484 64 1 1 . 1 1 29 29 ALA N N 29 122.963 122.963 121.617 1.346 18484 65 1 1 . 1 1 29 29 ALA HA H 29 4.257 4.257 4.583 -0.326 18484 66 1 1 . 1 1 29 29 ALA CA C 29 52.737 52.737 51.812 0.925 18484 67 1 1 . 1 1 29 29 ALA CB C 29 20.585 20.585 18.454 2.131 18484 68 1 1 . 1 1 29 29 ALA H H 29 8.182 8.182 8.227 -0.045 18484 69 1 1 . 1 1 30 30 ASN N N 30 117.863 117.863 115.944 1.919 18484 70 1 1 . 1 1 30 30 ASN HA H 30 4.697 4.697 4.412 0.285 18484 71 1 1 . 1 1 30 30 ASN CA C 30 53.107 53.107 53.767 -0.660 18484 72 1 1 . 1 1 30 30 ASN CB C 30 38.876 38.876 38.866 0.010 18484 73 1 1 . 1 1 30 30 ASN H H 30 8.323 8.323 7.917 0.406 18484 74 1 1 . 1 1 31 31 VAL N N 31 120.074 120.074 119.331 0.743 18484 75 1 1 . 1 1 31 31 VAL HA H 31 4.131 4.131 3.950 0.181 18484 76 1 1 . 1 1 31 31 VAL CA C 31 60.983 60.983 64.571 -3.588 18484 77 1 1 . 1 1 31 31 VAL CB C 31 32.827 32.827 31.666 1.161 18484 78 1 1 . 1 1 31 31 VAL H H 31 8.041 8.041 8.575 -0.534 18484 79 1 1 . 1 1 32 32 GLU N N 32 124.378 124.378 116.043 8.335 18484 80 1 1 . 1 1 32 32 GLU HA H 32 4.339 4.339 4.327 0.012 18484 81 1 1 . 1 1 32 32 GLU CA C 32 56.728 56.728 56.985 -0.257 18484 82 1 1 . 1 1 32 32 GLU CB C 32 30.439 30.439 30.066 0.373 18484 83 1 1 . 1 1 32 32 GLU H H 32 8.487 8.487 8.533 -0.046 18484 84 1 1 . 1 1 33 33 THR N N 33 116.772 116.772 113.504 3.268 18484 85 1 1 . 1 1 33 33 THR HA H 33 4.312 4.312 4.395 -0.083 18484 86 1 1 . 1 1 33 33 THR CA C 33 60.472 60.472 62.330 -1.858 18484 87 1 1 . 1 1 33 33 THR CB C 33 68.412 68.412 69.868 -1.456 18484 88 1 1 . 1 1 33 33 THR H H 33 8.224 8.224 8.257 -0.033 18484 89 1 1 . 1 1 34 34 ARG N N 34 124.955 124.955 123.521 1.434 18484 90 1 1 . 1 1 34 34 ARG HA H 34 4.732 4.732 4.675 0.057 18484 91 1 1 . 1 1 34 34 ARG CA C 34 53.635 53.635 54.947 -1.312 18484 92 1 1 . 1 1 34 34 ARG CB C 34 30.581 30.581 30.658 -0.077 18484 93 1 1 . 1 1 34 34 ARG H H 34 8.438 8.438 8.229 0.209 18484 94 1 1 . 1 1 35 35 PRO HA H 35 4.667 4.667 4.373 0.294 18484 95 1 1 . 1 1 35 35 PRO CA C 35 61.995 61.995 62.605 -0.610 18484 96 1 1 . 1 1 35 35 PRO CB C 35 32.459 32.459 32.594 -0.135 18484 97 1 1 . 1 1 36 36 GLU N N 36 121.398 121.398 119.245 2.153 18484 98 1 1 . 1 1 36 36 GLU HA H 36 4.509 4.509 4.268 0.241 18484 99 1 1 . 1 1 36 36 GLU CA C 36 55.563 55.563 56.348 -0.785 18484 100 1 1 . 1 1 36 36 GLU CB C 36 31.628 31.628 30.392 1.236 18484 101 1 1 . 1 1 36 36 GLU H H 36 8.663 8.663 8.418 0.245 18484 102 1 1 . 1 1 37 37 LEU N N 37 125.233 125.233 121.964 3.269 18484 103 1 1 . 1 1 37 37 LEU HA H 37 5.240 5.240 5.045 0.195 18484 104 1 1 . 1 1 37 37 LEU CA C 37 54.120 54.120 53.747 0.373 18484 105 1 1 . 1 1 37 37 LEU CB C 37 42.407 42.407 41.828 0.579 18484 106 1 1 . 1 1 37 37 LEU H H 37 8.352 8.352 8.331 0.021 18484 107 1 1 . 1 1 38 38 ILE N N 38 121.904 121.904 121.312 0.592 18484 108 1 1 . 1 1 38 38 ILE HA H 38 4.775 4.775 4.682 0.093 18484 109 1 1 . 1 1 38 38 ILE CA C 38 58.065 58.065 59.418 -1.353 18484 110 1 1 . 1 1 38 38 ILE CB C 38 41.790 41.790 40.053 1.737 18484 111 1 1 . 1 1 38 38 ILE H H 38 9.224 9.224 9.151 0.073 18484 112 1 1 . 1 1 39 39 THR N N 39 111.692 111.692 110.803 0.889 18484 113 1 1 . 1 1 39 39 THR HA H 39 5.443 5.443 5.186 0.257 18484 114 1 1 . 1 1 39 39 THR CA C 39 57.825 57.825 60.137 -2.312 18484 115 1 1 . 1 1 39 39 THR CB C 39 70.337 70.337 71.294 -0.957 18484 116 1 1 . 1 1 39 39 THR H H 39 8.077 8.077 8.203 -0.126 18484 117 1 1 . 1 1 40 40 ARG N N 40 121.666 121.666 120.827 0.839 18484 118 1 1 . 1 1 40 40 ARG HA H 40 4.707 4.707 4.493 0.214 18484 119 1 1 . 1 1 40 40 ARG CA C 40 55.674 55.674 56.544 -0.870 18484 120 1 1 . 1 1 40 40 ARG CB C 40 34.932 34.932 33.044 1.888 18484 121 1 1 . 1 1 40 40 ARG H H 40 8.558 8.558 8.870 -0.312 18484 122 1 1 . 1 1 41 41 THR N N 41 115.335 115.335 122.432 -7.097 18484 123 1 1 . 1 1 41 41 THR HA H 41 5.345 5.345 4.882 0.463 18484 124 1 1 . 1 1 41 41 THR CA C 41 59.028 59.028 61.816 -2.788 18484 125 1 1 . 1 1 41 41 THR CB C 41 70.332 70.332 69.542 0.790 18484 126 1 1 . 1 1 41 41 THR H H 41 8.532 8.532 8.691 -0.159 18484 127 1 1 . 1 1 42 42 GLU N N 42 122.278 122.278 128.402 -6.124 18484 128 1 1 . 1 1 42 42 GLU HA H 42 4.705 4.705 4.552 0.153 18484 129 1 1 . 1 1 42 42 GLU CA C 42 54.318 54.318 54.620 -0.302 18484 130 1 1 . 1 1 42 42 GLU CB C 42 33.984 33.984 31.573 2.411 18484 131 1 1 . 1 1 42 42 GLU H H 42 9.049 9.049 8.171 0.878 18484 132 1 1 . 1 1 43 43 GLU N N 43 122.782 122.782 120.342 2.440 18484 133 1 1 . 1 1 43 43 GLU HA H 43 4.659 4.659 4.427 0.232 18484 134 1 1 . 1 1 43 43 GLU CA C 43 56.074 56.074 56.946 -0.872 18484 135 1 1 . 1 1 43 43 GLU CB C 43 31.559 31.559 29.188 2.371 18484 136 1 1 . 1 1 43 43 GLU H H 43 8.722 8.722 8.602 0.120 18484 137 1 1 . 1 1 44 44 ILE N N 44 123.255 123.255 126.013 -2.758 18484 138 1 1 . 1 1 44 44 ILE HA H 44 4.557 4.557 4.504 0.053 18484 139 1 1 . 1 1 44 44 ILE CA C 44 55.622 55.622 57.714 -2.092 18484 140 1 1 . 1 1 44 44 ILE CB C 44 40.902 40.902 38.305 2.597 18484 141 1 1 . 1 1 44 44 ILE H H 44 7.740 7.740 7.987 -0.247 18484 142 1 1 . 1 1 45 45 PRO HA H 45 4.177 4.177 4.564 -0.387 18484 143 1 1 . 1 1 45 45 PRO CA C 45 61.978 61.978 62.188 -0.210 18484 144 1 1 . 1 1 45 45 PRO CB C 45 32.314 32.314 32.238 0.076 18484 145 1 1 . 1 1 46 46 PHE N N 46 114.670 114.670 116.859 -2.189 18484 146 1 1 . 1 1 46 46 PHE HA H 46 4.913 4.913 4.993 -0.080 18484 147 1 1 . 1 1 46 46 PHE CA C 46 54.749 54.749 56.247 -1.498 18484 148 1 1 . 1 1 46 46 PHE CB C 46 42.057 42.057 40.990 1.067 18484 149 1 1 . 1 1 46 46 PHE H H 46 6.912 6.912 7.940 -1.028 18484 150 1 1 . 1 1 47 47 GLU N N 47 120.217 120.217 119.906 0.311 18484 151 1 1 . 1 1 47 47 GLU HA H 47 4.600 4.600 4.570 0.030 18484 152 1 1 . 1 1 47 47 GLU CA C 47 54.771 54.771 55.654 -0.883 18484 153 1 1 . 1 1 47 47 GLU CB C 47 32.338 32.338 32.996 -0.658 18484 154 1 1 . 1 1 47 47 GLU H H 47 8.271 8.271 8.469 -0.198 18484 155 1 1 . 1 1 48 48 VAL N N 48 121.331 121.331 123.842 -2.511 18484 156 1 1 . 1 1 48 48 VAL HA H 48 4.734 4.734 4.354 0.380 18484 157 1 1 . 1 1 48 48 VAL CA C 48 61.472 61.472 62.317 -0.845 18484 158 1 1 . 1 1 48 48 VAL CB C 48 32.699 32.699 32.177 0.522 18484 159 1 1 . 1 1 48 48 VAL H H 48 8.625 8.625 8.411 0.214 18484 160 1 1 . 1 1 49 49 ILE N N 49 132.310 132.310 124.985 7.325 18484 161 1 1 . 1 1 49 49 ILE HA H 49 4.205 4.205 4.441 -0.236 18484 162 1 1 . 1 1 49 49 ILE CA C 49 58.886 58.886 58.483 0.403 18484 163 1 1 . 1 1 49 49 ILE CB C 49 39.037 39.037 40.020 -0.983 18484 164 1 1 . 1 1 49 49 ILE H H 49 9.505 9.505 7.889 1.616 18484 165 1 1 . 1 1 50 50 LYS N N 50 125.764 125.764 123.127 2.637 18484 166 1 1 . 1 1 50 50 LYS HA H 50 5.284 5.284 4.441 0.843 18484 167 1 1 . 1 1 50 50 LYS CA C 50 54.802 54.802 55.552 -0.750 18484 168 1 1 . 1 1 50 50 LYS CB C 50 34.186 34.186 32.957 1.229 18484 169 1 1 . 1 1 50 50 LYS H H 50 8.507 8.507 8.302 0.205 18484 170 1 1 . 1 1 51 51 LYS N N 51 124.935 124.935 126.208 -1.273 18484 171 1 1 . 1 1 51 51 LYS HA H 51 4.608 4.608 4.594 0.014 18484 172 1 1 . 1 1 51 51 LYS CA C 51 54.006 54.006 54.529 -0.523 18484 173 1 1 . 1 1 51 51 LYS CB C 51 34.756 34.756 36.153 -1.397 18484 174 1 1 . 1 1 51 51 LYS H H 51 9.066 9.066 8.192 0.874 18484 175 1 1 . 1 1 52 52 GLU N N 52 124.186 124.186 122.362 1.824 18484 176 1 1 . 1 1 52 52 GLU HA H 52 4.621 4.621 4.916 -0.295 18484 177 1 1 . 1 1 52 52 GLU CA C 52 55.931 55.931 55.723 0.208 18484 178 1 1 . 1 1 52 52 GLU CB C 52 31.036 31.036 30.338 0.698 18484 179 1 1 . 1 1 52 52 GLU H H 52 8.777 8.777 8.583 0.194 18484 180 1 1 . 1 1 53 53 ASN N N 53 121.687 121.687 123.400 -1.713 18484 181 1 1 . 1 1 53 53 ASN HA H 53 5.240 5.240 5.211 0.029 18484 182 1 1 . 1 1 53 53 ASN CA C 53 49.409 49.409 49.857 -0.448 18484 183 1 1 . 1 1 53 53 ASN CB C 53 40.473 40.473 40.123 0.350 18484 184 1 1 . 1 1 53 53 ASN H H 53 8.890 8.890 8.967 -0.077 18484 185 1 1 . 1 1 54 54 PRO HA H 54 4.587 4.587 4.382 0.205 18484 186 1 1 . 1 1 54 54 PRO CA C 54 62.650 62.650 64.433 -1.782 18484 187 1 1 . 1 1 54 54 PRO CB C 54 32.219 32.219 32.005 0.214 18484 188 1 1 . 1 1 55 55 ASN N N 55 115.629 115.629 115.800 -0.171 18484 189 1 1 . 1 1 55 55 ASN HA H 55 4.695 4.695 4.538 0.157 18484 190 1 1 . 1 1 55 55 ASN CA C 55 53.685 53.685 54.270 -0.585 18484 191 1 1 . 1 1 55 55 ASN CB C 55 39.137 39.137 39.033 0.104 18484 192 1 1 . 1 1 55 55 ASN H H 55 8.422 8.422 8.367 0.055 18484 193 1 1 . 1 1 56 56 LEU N N 56 121.277 121.277 120.930 0.347 18484 194 1 1 . 1 1 56 56 LEU HA H 56 4.686 4.686 4.701 -0.015 18484 195 1 1 . 1 1 56 56 LEU CA C 56 52.145 52.145 52.771 -0.626 18484 196 1 1 . 1 1 56 56 LEU CB C 56 42.456 42.456 40.420 2.036 18484 197 1 1 . 1 1 56 56 LEU H H 56 7.278 7.278 7.501 -0.223 18484 198 1 1 . 1 1 57 57 PRO HA H 57 4.298 4.298 4.449 -0.151 18484 199 1 1 . 1 1 57 57 PRO CA C 57 61.332 61.332 62.216 -0.884 18484 200 1 1 . 1 1 57 57 PRO CB C 57 32.232 32.232 29.672 2.560 18484 201 1 1 . 1 1 58 58 ALA N N 58 123.896 123.896 120.675 3.221 18484 202 1 1 . 1 1 58 58 ALA HA H 58 3.892 3.892 3.943 -0.051 18484 203 1 1 . 1 1 58 58 ALA CA C 58 53.559 53.559 52.747 0.812 18484 204 1 1 . 1 1 58 58 ALA CB C 58 19.480 19.480 18.735 0.745 18484 205 1 1 . 1 1 58 58 ALA H H 58 8.263 8.263 7.553 0.710 18484 206 1 1 . 1 1 59 59 GLY N N 59 110.843 110.843 109.186 1.657 18484 207 1 1 . 1 1 59 59 GLY CA C 59 45.339 45.339 45.831 -0.492 18484 208 1 1 . 1 1 59 59 GLY H H 59 8.755 8.755 8.724 0.031 18484 209 1 1 . 1 1 60 60 GLN N N 60 121.444 121.444 118.476 2.968 18484 210 1 1 . 1 1 60 60 GLN HA H 60 4.251 4.251 4.529 -0.278 18484 211 1 1 . 1 1 60 60 GLN CA C 60 56.080 56.080 54.952 1.128 18484 212 1 1 . 1 1 60 60 GLN CB C 60 29.876 29.876 31.218 -1.342 18484 213 1 1 . 1 1 60 60 GLN H H 60 7.877 7.877 8.115 -0.238 18484 214 1 1 . 1 1 61 61 GLU N N 61 123.364 123.364 124.697 -1.333 18484 215 1 1 . 1 1 61 61 GLU HA H 61 5.241 5.241 4.608 0.633 18484 216 1 1 . 1 1 61 61 GLU CA C 61 55.012 55.012 55.511 -0.499 18484 217 1 1 . 1 1 61 61 GLU CB C 61 32.368 32.368 31.883 0.485 18484 218 1 1 . 1 1 61 61 GLU H H 61 8.419 8.419 8.606 -0.187 18484 219 1 1 . 1 1 62 62 ASN N N 62 121.499 121.499 120.211 1.288 18484 220 1 1 . 1 1 62 62 ASN HA H 62 5.078 5.078 4.829 0.249 18484 221 1 1 . 1 1 62 62 ASN CA C 62 51.617 51.617 52.550 -0.933 18484 222 1 1 . 1 1 62 62 ASN CB C 62 40.999 40.999 39.706 1.293 18484 223 1 1 . 1 1 62 62 ASN H H 62 9.164 9.164 8.531 0.633 18484 224 1 1 . 1 1 63 63 ILE N N 63 125.976 125.976 126.890 -0.914 18484 225 1 1 . 1 1 63 63 ILE HA H 63 3.979 3.979 4.239 -0.260 18484 226 1 1 . 1 1 63 63 ILE CA C 63 61.650 61.650 60.365 1.285 18484 227 1 1 . 1 1 63 63 ILE CB C 63 37.404 37.404 35.819 1.585 18484 228 1 1 . 1 1 63 63 ILE H H 63 9.032 9.032 8.700 0.332 18484 229 1 1 . 1 1 64 64 ILE N N 64 130.073 130.073 127.501 2.572 18484 230 1 1 . 1 1 64 64 ILE HA H 64 4.139 4.139 3.948 0.191 18484 231 1 1 . 1 1 64 64 ILE CA C 64 60.699 60.699 62.256 -1.557 18484 232 1 1 . 1 1 64 64 ILE CB C 64 38.029 38.029 37.838 0.191 18484 233 1 1 . 1 1 64 64 ILE H H 64 8.876 8.876 8.677 0.199 18484 234 1 1 . 1 1 65 65 THR N N 65 116.771 116.771 113.292 3.479 18484 235 1 1 . 1 1 65 65 THR HA H 65 4.349 4.349 4.360 -0.011 18484 236 1 1 . 1 1 65 65 THR CA C 65 60.066 60.066 62.068 -2.002 18484 237 1 1 . 1 1 65 65 THR CB C 65 71.059 71.059 69.579 1.480 18484 238 1 1 . 1 1 65 65 THR H H 65 7.699 7.699 7.389 0.310 18484 239 1 1 . 1 1 66 66 ALA N N 66 130.117 130.117 130.189 -0.072 18484 240 1 1 . 1 1 66 66 ALA HA H 66 3.928 3.928 4.113 -0.185 18484 241 1 1 . 1 1 66 66 ALA CA C 66 51.617 51.617 52.789 -1.172 18484 242 1 1 . 1 1 66 66 ALA CB C 66 19.653 19.653 19.280 0.373 18484 243 1 1 . 1 1 66 66 ALA H H 66 8.579 8.579 8.352 0.227 18484 244 1 1 . 1 1 67 67 GLY N N 67 107.619 107.619 110.487 -2.868 18484 245 1 1 . 1 1 67 67 GLY CA C 67 43.606 43.606 44.039 -0.433 18484 246 1 1 . 1 1 67 67 GLY H H 67 8.387 8.387 8.048 0.339 18484 247 1 1 . 1 1 68 68 VAL N N 68 123.776 123.776 123.597 0.179 18484 248 1 1 . 1 1 68 68 VAL HA H 68 4.124 4.124 4.175 -0.051 18484 249 1 1 . 1 1 68 68 VAL CA C 68 60.443 60.443 59.755 0.688 18484 250 1 1 . 1 1 68 68 VAL CB C 68 34.972 34.972 35.397 -0.425 18484 251 1 1 . 1 1 68 68 VAL H H 68 8.966 8.966 8.241 0.725 18484 252 1 1 . 1 1 69 69 LYS N N 69 125.803 125.803 126.418 -0.615 18484 253 1 1 . 1 1 69 69 LYS HA H 69 4.448 4.448 4.368 0.080 18484 254 1 1 . 1 1 69 69 LYS CA C 69 57.012 57.012 56.639 0.373 18484 255 1 1 . 1 1 69 69 LYS CB C 69 33.410 33.410 31.679 1.731 18484 256 1 1 . 1 1 69 69 LYS H H 69 8.799 8.799 8.930 -0.131 18484 257 1 1 . 1 1 70 70 GLY N N 70 108.188 108.188 111.193 -3.005 18484 258 1 1 . 1 1 70 70 GLY CA C 70 43.549 43.549 43.744 -0.195 18484 259 1 1 . 1 1 70 70 GLY H H 70 8.858 8.858 8.065 0.793 18484 260 1 1 . 1 1 71 71 GLU N N 71 123.030 123.030 118.316 4.714 18484 261 1 1 . 1 1 71 71 GLU HA H 71 5.059 5.059 4.673 0.386 18484 262 1 1 . 1 1 71 71 GLU CA C 71 56.146 56.146 56.118 0.028 18484 263 1 1 . 1 1 71 71 GLU CB C 71 36.142 36.142 34.533 1.609 18484 264 1 1 . 1 1 71 71 GLU H H 71 9.538 9.538 8.665 0.873 18484 265 1 1 . 1 1 72 72 ARG N N 72 126.426 126.426 122.729 3.697 18484 266 1 1 . 1 1 72 72 ARG HA H 72 5.059 5.059 4.852 0.207 18484 267 1 1 . 1 1 72 72 ARG CA C 72 54.001 54.001 55.300 -1.299 18484 268 1 1 . 1 1 72 72 ARG CB C 72 33.500 33.500 33.553 -0.053 18484 269 1 1 . 1 1 72 72 ARG H H 72 9.191 9.191 8.420 0.771 18484 270 1 1 . 1 1 73 73 THR N N 73 120.983 120.983 125.608 -4.625 18484 271 1 1 . 1 1 73 73 THR HA H 73 4.522 4.522 4.462 0.060 18484 272 1 1 . 1 1 73 73 THR CA C 73 60.953 60.953 64.316 -3.363 18484 273 1 1 . 1 1 73 73 THR CB C 73 68.412 68.412 69.278 -0.866 18484 274 1 1 . 1 1 73 73 THR H H 73 9.249 9.249 8.956 0.293 18484 275 1 1 . 1 1 74 74 HIS N N 74 125.685 125.685 127.044 -1.359 18484 276 1 1 . 1 1 74 74 HIS HA H 74 5.153 5.153 4.685 0.468 18484 277 1 1 . 1 1 74 74 HIS CA C 74 54.487 54.487 55.671 -1.184 18484 278 1 1 . 1 1 74 74 HIS CB C 74 32.997 32.997 30.945 2.052 18484 279 1 1 . 1 1 74 74 HIS H H 74 9.056 9.056 8.934 0.122 18484 280 1 1 . 1 1 75 75 TYR N N 75 123.688 123.688 124.824 -1.136 18484 281 1 1 . 1 1 75 75 TYR HA H 75 4.868 4.868 4.962 -0.094 18484 282 1 1 . 1 1 75 75 TYR CA C 75 56.499 56.499 54.407 2.092 18484 283 1 1 . 1 1 75 75 TYR CB C 75 38.425 38.425 37.344 1.081 18484 284 1 1 . 1 1 75 75 TYR H H 75 8.945 8.945 8.039 0.906 18484 285 1 1 . 1 1 76 76 ILE N N 76 125.717 125.717 123.486 2.231 18484 286 1 1 . 1 1 76 76 ILE HA H 76 4.800 4.800 4.451 0.349 18484 287 1 1 . 1 1 76 76 ILE CA C 76 58.787 58.787 60.270 -1.484 18484 288 1 1 . 1 1 76 76 ILE CB C 76 42.034 42.034 41.204 0.830 18484 289 1 1 . 1 1 76 76 ILE H H 76 9.079 9.079 8.626 0.453 18484 290 1 1 . 1 1 77 77 SER N N 77 120.473 120.473 120.331 0.142 18484 291 1 1 . 1 1 77 77 SER HA H 77 5.183 5.183 5.291 -0.108 18484 292 1 1 . 1 1 77 77 SER CA C 77 55.930 55.930 57.239 -1.309 18484 293 1 1 . 1 1 77 77 SER CB C 77 63.118 63.118 63.897 -0.779 18484 294 1 1 . 1 1 77 77 SER H H 77 9.047 9.047 8.252 0.795 18484 295 1 1 . 1 1 78 78 VAL N N 78 128.488 128.488 128.366 0.122 18484 296 1 1 . 1 1 78 78 VAL HA H 78 4.729 4.729 4.556 0.173 18484 297 1 1 . 1 1 78 78 VAL CA C 78 60.517 60.517 61.795 -1.278 18484 298 1 1 . 1 1 78 78 VAL CB C 78 33.685 33.685 32.984 0.701 18484 299 1 1 . 1 1 78 78 VAL H H 78 9.301 9.301 7.895 1.406 18484 300 1 1 . 1 1 79 79 LEU N N 79 129.698 129.698 129.660 0.038 18484 301 1 1 . 1 1 79 79 LEU HA H 79 4.783 4.783 4.794 -0.011 18484 302 1 1 . 1 1 79 79 LEU CA C 79 53.873 53.873 53.573 0.300 18484 303 1 1 . 1 1 79 79 LEU CB C 79 45.605 45.605 43.552 2.053 18484 304 1 1 . 1 1 79 79 LEU H H 79 8.553 8.553 8.137 0.416 18484 305 1 1 . 1 1 80 80 THR N N 80 123.276 123.276 122.538 0.738 18484 306 1 1 . 1 1 80 80 THR HA H 80 5.096 5.096 4.607 0.489 18484 307 1 1 . 1 1 80 80 THR CA C 80 60.231 60.231 62.875 -2.644 18484 308 1 1 . 1 1 80 80 THR CB C 80 68.171 68.171 68.787 -0.616 18484 309 1 1 . 1 1 80 80 THR H H 80 8.754 8.754 8.711 0.043 18484 310 1 1 . 1 1 81 81 GLU N N 81 125.405 125.405 126.742 -1.337 18484 311 1 1 . 1 1 81 81 GLU HA H 81 4.530 4.530 4.495 0.035 18484 312 1 1 . 1 1 81 81 GLU CA C 81 55.372 55.372 55.522 -0.150 18484 313 1 1 . 1 1 81 81 GLU CB C 81 32.374 32.374 32.059 0.315 18484 314 1 1 . 1 1 81 81 GLU H H 81 8.615 8.615 8.054 0.561 18484 315 1 1 . 1 1 82 82 ASN N N 82 124.375 124.375 123.521 0.854 18484 316 1 1 . 1 1 82 82 ASN HA H 82 4.360 4.360 4.516 -0.156 18484 317 1 1 . 1 1 82 82 ASN CA C 82 54.328 54.328 53.435 0.893 18484 318 1 1 . 1 1 82 82 ASN CB C 82 37.432 37.432 37.498 -0.066 18484 319 1 1 . 1 1 82 82 ASN H H 82 9.559 9.559 9.031 0.528 18484 320 1 1 . 1 1 83 83 GLY N N 83 103.733 103.733 103.038 0.695 18484 321 1 1 . 1 1 83 83 GLY CA C 83 45.359 45.359 45.480 -0.121 18484 322 1 1 . 1 1 83 83 GLY H H 83 8.626 8.626 8.736 -0.110 18484 323 1 1 . 1 1 84 84 LYS N N 84 121.407 121.407 116.572 4.835 18484 324 1 1 . 1 1 84 84 LYS HA H 84 4.698 4.698 4.548 0.150 18484 325 1 1 . 1 1 84 84 LYS CA C 84 55.182 55.182 54.274 0.908 18484 326 1 1 . 1 1 84 84 LYS CB C 84 34.807 34.807 34.542 0.265 18484 327 1 1 . 1 1 84 84 LYS H H 84 7.813 7.813 7.620 0.193 18484 328 1 1 . 1 1 85 85 THR N N 85 121.799 121.799 116.084 5.715 18484 329 1 1 . 1 1 85 85 THR HA H 85 5.194 5.194 4.850 0.344 18484 330 1 1 . 1 1 85 85 THR CA C 85 60.472 60.472 61.020 -0.548 18484 331 1 1 . 1 1 85 85 THR CB C 85 69.134 69.134 69.682 -0.548 18484 332 1 1 . 1 1 85 85 THR H H 85 8.796 8.796 8.404 0.392 18484 333 1 1 . 1 1 86 86 THR N N 86 122.071 122.071 120.442 1.629 18484 334 1 1 . 1 1 86 86 THR HA H 86 4.535 4.535 4.521 0.014 18484 335 1 1 . 1 1 86 86 THR CA C 86 59.990 59.990 60.295 -0.305 18484 336 1 1 . 1 1 86 86 THR CB C 86 69.856 69.856 70.125 -0.269 18484 337 1 1 . 1 1 86 86 THR H H 86 9.134 9.134 8.142 0.992 18484 338 1 1 . 1 1 87 87 GLU N N 87 126.429 126.429 128.485 -2.056 18484 339 1 1 . 1 1 87 87 GLU HA H 87 5.030 5.030 4.457 0.573 18484 340 1 1 . 1 1 87 87 GLU CA C 87 55.029 55.029 55.611 -0.582 18484 341 1 1 . 1 1 87 87 GLU CB C 87 31.746 31.746 29.398 2.348 18484 342 1 1 . 1 1 87 87 GLU H H 87 8.905 8.905 8.725 0.180 18484 343 1 1 . 1 1 88 88 THR N N 88 120.353 120.353 121.177 -0.824 18484 344 1 1 . 1 1 88 88 THR HA H 88 4.450 4.450 4.582 -0.132 18484 345 1 1 . 1 1 88 88 THR CA C 88 60.472 60.472 61.293 -0.821 18484 346 1 1 . 1 1 88 88 THR CB C 88 70.646 70.646 70.623 0.023 18484 347 1 1 . 1 1 88 88 THR H H 88 9.016 9.016 8.291 0.725 18484 348 1 1 . 1 1 89 89 VAL N N 89 128.484 128.484 123.182 5.302 18484 349 1 1 . 1 1 89 89 VAL HA H 89 3.978 3.978 4.109 -0.131 18484 350 1 1 . 1 1 89 89 VAL CA C 89 62.471 62.471 63.270 -0.799 18484 351 1 1 . 1 1 89 89 VAL CB C 89 31.216 31.216 32.115 -0.899 18484 352 1 1 . 1 1 89 89 VAL H H 89 9.054 9.054 8.715 0.339 18484 353 1 1 . 1 1 90 90 LEU N N 90 130.587 130.587 122.405 8.182 18484 354 1 1 . 1 1 90 90 LEU HA H 90 4.325 4.325 4.634 -0.309 18484 355 1 1 . 1 1 90 90 LEU CA C 90 56.129 56.129 55.911 0.218 18484 356 1 1 . 1 1 90 90 LEU CB C 90 42.958 42.958 44.237 -1.279 18484 357 1 1 . 1 1 90 90 LEU H H 90 9.426 9.426 8.403 1.023 18484 358 1 1 . 1 1 91 91 ASP N N 91 114.928 114.928 120.101 -5.173 18484 359 1 1 . 1 1 91 91 ASP HA H 91 4.846 4.846 4.799 0.047 18484 360 1 1 . 1 1 91 91 ASP CA C 91 53.688 53.688 53.409 0.279 18484 361 1 1 . 1 1 91 91 ASP CB C 91 43.521 43.521 43.301 0.220 18484 362 1 1 . 1 1 91 91 ASP H H 91 7.924 7.924 7.802 0.122 18484 363 1 1 . 1 1 92 92 SER N N 92 117.203 117.203 117.871 -0.668 18484 364 1 1 . 1 1 92 92 SER HA H 92 5.519 5.519 2.969 2.550 18484 365 1 1 . 1 1 92 92 SER CA C 92 56.622 56.622 56.507 0.115 18484 366 1 1 . 1 1 92 92 SER CB C 92 63.359 63.359 65.307 -1.948 18484 367 1 1 . 1 1 92 92 SER H H 92 8.376 8.376 8.076 0.300 18484 368 1 1 . 1 1 93 93 GLN N N 93 122.058 122.058 123.018 -0.960 18484 369 1 1 . 1 1 93 93 GLN HA H 93 4.731 4.731 4.353 0.378 18484 370 1 1 . 1 1 93 93 GLN CA C 93 54.781 54.781 54.877 -0.097 18484 371 1 1 . 1 1 93 93 GLN CB C 93 33.312 33.312 30.986 2.326 18484 372 1 1 . 1 1 93 93 GLN H H 93 9.005 9.005 7.739 1.266 18484 373 1 1 . 1 1 94 94 VAL N N 94 125.231 125.231 117.164 8.067 18484 374 1 1 . 1 1 94 94 VAL HA H 94 4.233 4.233 4.239 -0.006 18484 375 1 1 . 1 1 94 94 VAL CA C 94 63.282 63.282 61.479 1.803 18484 376 1 1 . 1 1 94 94 VAL CB C 94 30.906 30.906 30.635 0.271 18484 377 1 1 . 1 1 94 94 VAL H H 94 9.085 9.085 8.125 0.960 18484 378 1 1 . 1 1 95 95 THR N N 95 121.170 121.170 120.047 1.123 18484 379 1 1 . 1 1 95 95 THR HA H 95 4.384 4.384 4.492 -0.108 18484 380 1 1 . 1 1 95 95 THR CA C 95 60.953 60.953 60.776 0.176 18484 381 1 1 . 1 1 95 95 THR CB C 95 68.653 68.653 68.297 0.356 18484 382 1 1 . 1 1 95 95 THR H H 95 8.521 8.521 8.159 0.362 18484 383 1 1 . 1 1 96 96 LYS N N 96 123.236 123.236 122.669 0.567 18484 384 1 1 . 1 1 96 96 LYS HA H 96 4.418 4.418 4.081 0.337 18484 385 1 1 . 1 1 96 96 LYS CA C 96 56.418 56.418 56.708 -0.290 18484 386 1 1 . 1 1 96 96 LYS CB C 96 35.690 35.690 31.671 4.019 18484 387 1 1 . 1 1 96 96 LYS H H 96 7.912 7.912 8.338 -0.426 18484 388 1 1 . 1 1 97 97 GLU N N 97 125.835 125.835 120.121 5.714 18484 389 1 1 . 1 1 97 97 GLU HA H 97 4.151 4.151 4.024 0.127 18484 390 1 1 . 1 1 97 97 GLU CA C 97 56.412 56.412 57.621 -1.209 18484 391 1 1 . 1 1 97 97 GLU CB C 97 29.948 29.948 30.255 -0.307 18484 392 1 1 . 1 1 97 97 GLU H H 97 8.665 8.665 8.470 0.195 18484 393 1 1 . 1 1 98 98 VAL N N 98 122.204 122.204 125.198 -2.994 18484 394 1 1 . 1 1 98 98 VAL HA H 98 3.915 3.915 4.106 -0.191 18484 395 1 1 . 1 1 98 98 VAL CA C 98 60.208 60.208 62.840 -2.632 18484 396 1 1 . 1 1 98 98 VAL CB C 98 33.692 33.692 32.386 1.306 18484 397 1 1 . 1 1 98 98 VAL H H 98 8.339 8.339 8.415 -0.076 18484 398 1 1 . 1 1 99 99 ILE N N 99 127.874 127.874 130.653 -2.779 18484 399 1 1 . 1 1 99 99 ILE HA H 99 4.197 4.197 4.011 0.186 18484 400 1 1 . 1 1 99 99 ILE CA C 99 60.606 60.606 59.808 0.798 18484 401 1 1 . 1 1 99 99 ILE CB C 99 39.186 39.186 36.492 2.694 18484 402 1 1 . 1 1 99 99 ILE H H 99 8.608 8.608 8.045 0.563 18484 403 1 1 . 1 1 100 100 ASN N N 100 123.343 123.343 127.119 -3.776 18484 404 1 1 . 1 1 100 100 ASN HA H 100 4.914 4.914 4.795 0.119 18484 405 1 1 . 1 1 100 100 ASN CA C 100 53.704 53.704 52.301 1.403 18484 406 1 1 . 1 1 100 100 ASN CB C 100 37.731 37.731 39.249 -1.518 18484 407 1 1 . 1 1 100 100 ASN H H 100 8.446 8.446 8.579 -0.133 18484 408 1 1 . 1 1 101 101 GLN N N 101 120.980 120.980 123.217 -2.237 18484 409 1 1 . 1 1 101 101 GLN HA H 101 4.325 4.325 4.278 0.047 18484 410 1 1 . 1 1 101 101 GLN CA C 101 54.659 54.659 56.491 -1.832 18484 411 1 1 . 1 1 101 101 GLN CB C 101 31.616 31.616 28.678 2.938 18484 412 1 1 . 1 1 101 101 GLN H H 101 8.254 8.254 8.625 -0.371 18484 413 1 1 . 1 1 102 102 VAL N N 102 127.057 127.057 128.892 -1.835 18484 414 1 1 . 1 1 102 102 VAL HA H 102 4.965 4.965 4.104 0.861 18484 415 1 1 . 1 1 102 102 VAL CA C 102 60.264 60.264 62.095 -1.831 18484 416 1 1 . 1 1 102 102 VAL CB C 102 33.626 33.626 31.039 2.587 18484 417 1 1 . 1 1 102 102 VAL H H 102 8.742 8.742 8.486 0.256 18484 418 1 1 . 1 1 103 103 VAL N N 103 127.794 127.794 122.673 5.121 18484 419 1 1 . 1 1 103 103 VAL HA H 103 4.812 4.812 5.374 -0.562 18484 420 1 1 . 1 1 103 103 VAL CA C 103 58.547 58.547 58.650 -0.103 18484 421 1 1 . 1 1 103 103 VAL CB C 103 35.718 35.718 34.816 0.902 18484 422 1 1 . 1 1 103 103 VAL H H 103 9.160 9.160 7.807 1.353 18484 423 1 1 . 1 1 104 104 GLU N N 104 125.160 125.160 124.728 0.432 18484 424 1 1 . 1 1 104 104 GLU HA H 104 5.513 5.513 4.799 0.714 18484 425 1 1 . 1 1 104 104 GLU CA C 104 53.721 53.721 54.310 -0.589 18484 426 1 1 . 1 1 104 104 GLU CB C 104 32.383 32.383 30.831 1.552 18484 427 1 1 . 1 1 104 104 GLU H H 104 9.085 9.085 8.051 1.034 18484 428 1 1 . 1 1 105 105 VAL N N 105 117.602 117.602 124.429 -6.827 18484 429 1 1 . 1 1 105 105 VAL HA H 105 5.241 5.241 4.705 0.536 18484 430 1 1 . 1 1 105 105 VAL CA C 105 57.055 57.055 60.961 -3.905 18484 431 1 1 . 1 1 105 105 VAL CB C 105 35.204 35.204 32.721 2.483 18484 432 1 1 . 1 1 105 105 VAL H H 105 8.536 8.536 8.843 -0.307 18484 433 1 1 . 1 1 106 106 GLY N N 106 111.023 111.023 112.867 -1.844 18484 434 1 1 . 1 1 106 106 GLY CA C 106 46.117 46.117 44.777 1.340 18484 435 1 1 . 1 1 106 106 GLY H H 106 8.635 8.635 8.354 0.281 18484 436 1 1 . 1 1 107 107 ALA N N 107 127.369 127.369 126.603 0.766 18484 437 1 1 . 1 1 107 107 ALA HA H 107 4.515 4.515 4.347 0.168 18484 438 1 1 . 1 1 107 107 ALA CA C 107 50.477 50.477 50.868 -0.391 18484 439 1 1 . 1 1 107 107 ALA CB C 107 19.924 19.924 18.031 1.893 18484 440 1 1 . 1 1 107 107 ALA H H 107 7.929 7.929 7.934 -0.005 18484 441 1 1 . 1 1 108 108 PRO HA H 108 4.494 4.494 4.338 0.156 18484 442 1 1 . 1 1 108 108 PRO CA C 108 61.698 61.698 65.023 -3.325 18484 443 1 1 . 1 1 108 108 PRO CB C 108 31.900 31.900 32.333 -0.433 18484 444 1 1 . 1 1 109 109 VAL N N 109 119.821 119.821 115.005 4.816 18484 445 1 1 . 1 1 109 109 VAL HA H 109 4.092 4.092 4.160 -0.068 18484 446 1 1 . 1 1 109 109 VAL CA C 109 60.949 60.949 63.601 -2.652 18484 447 1 1 . 1 1 109 109 VAL CB C 109 32.389 32.389 33.250 -0.861 18484 448 1 1 . 1 1 109 109 VAL H H 109 8.303 8.303 8.069 0.234 18484 449 1 1 . 1 1 110 110 THR N N 110 118.171 118.171 113.685 4.486 18484 450 1 1 . 1 1 110 110 THR HA H 110 4.338 4.338 4.491 -0.153 18484 451 1 1 . 1 1 110 110 THR CA C 110 59.028 59.028 62.383 -3.355 18484 452 1 1 . 1 1 110 110 THR CB C 110 67.676 67.676 68.494 -0.818 18484 453 1 1 . 1 1 110 110 THR H H 110 8.209 8.209 8.175 0.034 18484 454 1 2 . 1 1 2 2 GLY N N 2 110.403 110.403 111.886 -1.483 18484 455 1 2 . 1 1 2 2 GLY H H 2 8.459 8.459 8.482 -0.023 18484 456 1 2 . 1 1 10 10 SER HA H 10 4.435 4.435 4.708 -0.273 18484 457 1 2 . 1 1 11 11 SER CA C 11 57.649 57.649 61.259 -3.610 18484 458 1 2 . 1 1 11 11 SER CB C 11 62.672 62.672 63.249 -0.577 18484 459 1 2 . 1 1 12 12 GLY N N 12 110.471 110.471 107.966 2.505 18484 460 1 2 . 1 1 12 12 GLY CA C 12 45.312 45.312 45.426 -0.114 18484 461 1 2 . 1 1 12 12 GLY H H 12 8.365 8.365 8.597 -0.232 18484 462 1 2 . 1 1 13 13 LEU N N 13 121.432 121.432 113.115 8.317 18484 463 1 2 . 1 1 13 13 LEU HA H 13 4.327 4.327 4.743 -0.416 18484 464 1 2 . 1 1 13 13 LEU CA C 13 55.573 55.573 55.795 -0.223 18484 465 1 2 . 1 1 13 13 LEU CB C 13 42.428 42.428 43.235 -0.807 18484 466 1 2 . 1 1 13 13 LEU H H 13 8.024 8.024 7.575 0.449 18484 467 1 2 . 1 1 14 14 VAL N N 14 122.309 122.309 120.286 2.023 18484 468 1 2 . 1 1 14 14 VAL H H 14 8.062 8.062 8.208 -0.146 18484 469 1 2 . 1 1 16 16 ARG N N 16 121.951 121.951 116.043 5.908 18484 470 1 2 . 1 1 16 16 ARG HA H 16 4.312 4.312 4.377 -0.065 18484 471 1 2 . 1 1 16 16 ARG CA C 16 56.102 56.102 57.300 -1.198 18484 472 1 2 . 1 1 16 16 ARG CB C 16 30.891 30.891 29.747 1.143 18484 473 1 2 . 1 1 16 16 ARG H H 16 8.465 8.465 8.123 0.342 18484 474 1 2 . 1 1 20 20 MET HA H 20 4.435 4.435 4.205 0.230 18484 475 1 2 . 1 1 20 20 MET CA C 20 55.500 55.500 55.785 -0.285 18484 476 1 2 . 1 1 20 20 MET CB C 20 32.070 32.070 31.649 0.421 18484 477 1 2 . 1 1 21 21 SER N N 21 117.005 117.005 117.033 -0.028 18484 478 1 2 . 1 1 21 21 SER HA H 21 4.435 4.435 4.390 0.045 18484 479 1 2 . 1 1 21 21 SER CA C 21 57.066 57.066 61.808 -4.742 18484 480 1 2 . 1 1 21 21 SER CB C 21 62.566 62.566 63.510 -0.944 18484 481 1 2 . 1 1 21 21 SER H H 21 8.332 8.332 8.888 -0.556 18484 482 1 2 . 1 1 22 22 LEU N N 22 124.083 124.083 118.701 5.382 18484 483 1 2 . 1 1 22 22 LEU HA H 22 4.348 4.348 4.248 0.100 18484 484 1 2 . 1 1 22 22 LEU CA C 22 55.471 55.471 57.727 -2.256 18484 485 1 2 . 1 1 22 22 LEU CB C 22 42.322 42.322 42.047 0.275 18484 486 1 2 . 1 1 22 22 LEU H H 22 8.340 8.340 7.905 0.435 18484 487 1 2 . 1 1 23 23 ASP N N 23 120.867 120.867 118.508 2.359 18484 488 1 2 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.352 0.214 18484 489 1 2 . 1 1 23 23 ASP CA C 23 54.687 54.687 56.720 -2.033 18484 490 1 2 . 1 1 23 23 ASP CB C 23 41.553 41.553 40.867 0.686 18484 491 1 2 . 1 1 23 23 ASP H H 23 8.312 8.312 8.219 0.093 18484 492 1 2 . 1 1 24 24 GLU N N 24 121.470 121.470 117.293 4.177 18484 493 1 2 . 1 1 24 24 GLU HA H 24 4.566 4.566 4.112 0.454 18484 494 1 2 . 1 1 24 24 GLU CA C 24 56.921 56.921 57.308 -0.387 18484 495 1 2 . 1 1 24 24 GLU CB C 24 30.015 30.015 29.731 0.284 18484 496 1 2 . 1 1 24 24 GLU H H 24 8.411 8.411 7.872 0.539 18484 497 1 2 . 1 1 25 25 ASN N N 25 118.582 118.582 118.035 0.547 18484 498 1 2 . 1 1 25 25 ASN HA H 25 4.707 4.707 4.373 0.334 18484 499 1 2 . 1 1 25 25 ASN CA C 25 53.593 53.593 53.870 -0.278 18484 500 1 2 . 1 1 25 25 ASN CB C 25 39.188 39.188 38.207 0.981 18484 501 1 2 . 1 1 25 25 ASN H H 25 8.436 8.436 7.732 0.704 18484 502 1 2 . 1 1 26 26 GLU N N 26 121.262 121.262 118.649 2.613 18484 503 1 2 . 1 1 26 26 GLU HA H 26 4.247 4.247 4.004 0.243 18484 504 1 2 . 1 1 26 26 GLU CA C 26 56.310 56.310 58.883 -2.573 18484 505 1 2 . 1 1 26 26 GLU CB C 26 30.342 30.342 28.737 1.605 18484 506 1 2 . 1 1 26 26 GLU H H 26 8.196 8.196 8.805 -0.609 18484 507 1 2 . 1 1 27 27 VAL N N 27 121.381 121.381 117.437 3.944 18484 508 1 2 . 1 1 27 27 VAL HA H 27 4.036 4.036 4.118 -0.082 18484 509 1 2 . 1 1 27 27 VAL CA C 27 62.396 62.396 62.958 -0.562 18484 510 1 2 . 1 1 27 27 VAL CB C 27 32.770 32.770 31.880 0.890 18484 511 1 2 . 1 1 27 27 VAL H H 27 8.092 8.092 8.273 -0.181 18484 512 1 2 . 1 1 28 28 ALA N N 28 127.549 127.549 122.394 5.155 18484 513 1 2 . 1 1 28 28 ALA HA H 28 4.300 4.300 4.007 0.293 18484 514 1 2 . 1 1 28 28 ALA CA C 28 52.388 52.388 54.328 -1.940 18484 515 1 2 . 1 1 28 28 ALA CB C 28 20.383 20.383 18.272 2.111 18484 516 1 2 . 1 1 28 28 ALA H H 28 8.280 8.280 8.095 0.185 18484 517 1 2 . 1 1 29 29 ALA N N 29 122.963 122.963 121.335 1.628 18484 518 1 2 . 1 1 29 29 ALA HA H 29 4.257 4.257 3.888 0.369 18484 519 1 2 . 1 1 29 29 ALA CA C 29 52.737 52.737 52.422 0.315 18484 520 1 2 . 1 1 29 29 ALA CB C 29 20.585 20.585 17.118 3.467 18484 521 1 2 . 1 1 29 29 ALA H H 29 8.182 8.182 8.253 -0.071 18484 522 1 2 . 1 1 30 30 ASN N N 30 117.863 117.863 111.996 5.867 18484 523 1 2 . 1 1 30 30 ASN HA H 30 4.697 4.697 4.338 0.359 18484 524 1 2 . 1 1 30 30 ASN CA C 30 53.107 53.107 54.116 -1.009 18484 525 1 2 . 1 1 30 30 ASN CB C 30 38.876 38.876 37.800 1.076 18484 526 1 2 . 1 1 30 30 ASN H H 30 8.323 8.323 8.499 -0.176 18484 527 1 2 . 1 1 31 31 VAL N N 31 120.074 120.074 113.200 6.874 18484 528 1 2 . 1 1 31 31 VAL HA H 31 4.131 4.131 3.713 0.418 18484 529 1 2 . 1 1 31 31 VAL CA C 31 60.983 60.983 63.449 -2.466 18484 530 1 2 . 1 1 31 31 VAL CB C 31 32.827 32.827 29.123 3.704 18484 531 1 2 . 1 1 31 31 VAL H H 31 8.041 8.041 7.811 0.230 18484 532 1 2 . 1 1 32 32 GLU N N 32 124.378 124.378 118.213 6.165 18484 533 1 2 . 1 1 32 32 GLU HA H 32 4.339 4.339 4.434 -0.095 18484 534 1 2 . 1 1 32 32 GLU CA C 32 56.728 56.728 57.263 -0.535 18484 535 1 2 . 1 1 32 32 GLU CB C 32 30.439 30.439 31.281 -0.842 18484 536 1 2 . 1 1 32 32 GLU H H 32 8.487 8.487 7.952 0.535 18484 537 1 2 . 1 1 33 33 THR N N 33 116.772 116.772 116.591 0.181 18484 538 1 2 . 1 1 33 33 THR HA H 33 4.312 4.312 4.319 -0.007 18484 539 1 2 . 1 1 33 33 THR CA C 33 60.472 60.472 63.319 -2.847 18484 540 1 2 . 1 1 33 33 THR CB C 33 68.412 68.412 68.768 -0.356 18484 541 1 2 . 1 1 33 33 THR H H 33 8.224 8.224 8.082 0.142 18484 542 1 2 . 1 1 34 34 ARG N N 34 124.955 124.955 123.081 1.874 18484 543 1 2 . 1 1 34 34 ARG HA H 34 4.732 4.732 4.063 0.669 18484 544 1 2 . 1 1 34 34 ARG CA C 34 53.635 53.635 56.267 -2.632 18484 545 1 2 . 1 1 34 34 ARG CB C 34 30.581 30.581 27.491 3.090 18484 546 1 2 . 1 1 34 34 ARG H H 34 8.438 8.438 8.514 -0.076 18484 547 1 2 . 1 1 35 35 PRO HA H 35 4.667 4.667 4.323 0.344 18484 548 1 2 . 1 1 35 35 PRO CA C 35 61.995 61.995 64.307 -2.312 18484 549 1 2 . 1 1 35 35 PRO CB C 35 32.459 32.459 32.209 0.250 18484 550 1 2 . 1 1 36 36 GLU N N 36 121.398 121.398 118.533 2.865 18484 551 1 2 . 1 1 36 36 GLU HA H 36 4.509 4.509 4.495 0.014 18484 552 1 2 . 1 1 36 36 GLU CA C 36 55.563 55.563 55.764 -0.201 18484 553 1 2 . 1 1 36 36 GLU CB C 36 31.628 31.628 30.231 1.397 18484 554 1 2 . 1 1 36 36 GLU H H 36 8.663 8.663 8.359 0.304 18484 555 1 2 . 1 1 37 37 LEU N N 37 125.233 125.233 127.809 -2.576 18484 556 1 2 . 1 1 37 37 LEU HA H 37 5.240 5.240 4.801 0.439 18484 557 1 2 . 1 1 37 37 LEU CA C 37 54.120 54.120 55.267 -1.147 18484 558 1 2 . 1 1 37 37 LEU CB C 37 42.407 42.407 42.017 0.390 18484 559 1 2 . 1 1 37 37 LEU H H 37 8.352 8.352 8.614 -0.262 18484 560 1 2 . 1 1 38 38 ILE N N 38 121.904 121.904 122.113 -0.209 18484 561 1 2 . 1 1 38 38 ILE HA H 38 4.775 4.775 4.661 0.114 18484 562 1 2 . 1 1 38 38 ILE CA C 38 58.065 58.065 59.760 -1.695 18484 563 1 2 . 1 1 38 38 ILE CB C 38 41.790 41.790 39.197 2.593 18484 564 1 2 . 1 1 38 38 ILE H H 38 9.224 9.224 9.225 -0.001 18484 565 1 2 . 1 1 39 39 THR N N 39 111.692 111.692 120.138 -8.446 18484 566 1 2 . 1 1 39 39 THR HA H 39 5.443 5.443 4.890 0.553 18484 567 1 2 . 1 1 39 39 THR CA C 39 57.825 57.825 60.604 -2.779 18484 568 1 2 . 1 1 39 39 THR CB C 39 70.337 70.337 69.936 0.401 18484 569 1 2 . 1 1 39 39 THR H H 39 8.077 8.077 8.623 -0.546 18484 570 1 2 . 1 1 40 40 ARG N N 40 121.666 121.666 124.705 -3.039 18484 571 1 2 . 1 1 40 40 ARG HA H 40 4.707 4.707 4.606 0.101 18484 572 1 2 . 1 1 40 40 ARG CA C 40 55.674 55.674 55.608 0.065 18484 573 1 2 . 1 1 40 40 ARG CB C 40 34.932 34.932 33.361 1.571 18484 574 1 2 . 1 1 40 40 ARG H H 40 8.558 8.558 8.640 -0.082 18484 575 1 2 . 1 1 41 41 THR N N 41 115.335 115.335 119.504 -4.169 18484 576 1 2 . 1 1 41 41 THR HA H 41 5.345 5.345 5.067 0.278 18484 577 1 2 . 1 1 41 41 THR CA C 41 59.028 59.028 61.972 -2.944 18484 578 1 2 . 1 1 41 41 THR CB C 41 70.332 70.332 69.716 0.616 18484 579 1 2 . 1 1 41 41 THR H H 41 8.532 8.532 8.494 0.038 18484 580 1 2 . 1 1 42 42 GLU N N 42 122.278 122.278 125.958 -3.680 18484 581 1 2 . 1 1 42 42 GLU HA H 42 4.705 4.705 4.443 0.262 18484 582 1 2 . 1 1 42 42 GLU CA C 42 54.318 54.318 54.335 -0.017 18484 583 1 2 . 1 1 42 42 GLU CB C 42 33.984 33.984 30.717 3.267 18484 584 1 2 . 1 1 42 42 GLU H H 42 9.049 9.049 8.437 0.612 18484 585 1 2 . 1 1 43 43 GLU N N 43 122.782 122.782 123.662 -0.880 18484 586 1 2 . 1 1 43 43 GLU HA H 43 4.659 4.659 4.228 0.431 18484 587 1 2 . 1 1 43 43 GLU CA C 43 56.074 56.074 56.133 -0.059 18484 588 1 2 . 1 1 43 43 GLU CB C 43 31.559 31.559 28.719 2.840 18484 589 1 2 . 1 1 43 43 GLU H H 43 8.722 8.722 8.639 0.083 18484 590 1 2 . 1 1 44 44 ILE N N 44 123.255 123.255 128.739 -5.484 18484 591 1 2 . 1 1 44 44 ILE HA H 44 4.557 4.557 4.461 0.096 18484 592 1 2 . 1 1 44 44 ILE CA C 44 55.622 55.622 58.084 -2.462 18484 593 1 2 . 1 1 44 44 ILE CB C 44 40.902 40.902 39.270 1.632 18484 594 1 2 . 1 1 44 44 ILE H H 44 7.740 7.740 7.761 -0.021 18484 595 1 2 . 1 1 45 45 PRO HA H 45 4.177 4.177 4.572 -0.395 18484 596 1 2 . 1 1 45 45 PRO CA C 45 61.978 61.978 62.251 -0.273 18484 597 1 2 . 1 1 45 45 PRO CB C 45 32.314 32.314 32.161 0.152 18484 598 1 2 . 1 1 46 46 PHE N N 46 114.670 114.670 119.871 -5.201 18484 599 1 2 . 1 1 46 46 PHE HA H 46 4.913 4.913 4.740 0.173 18484 600 1 2 . 1 1 46 46 PHE CA C 46 54.749 54.749 55.955 -1.206 18484 601 1 2 . 1 1 46 46 PHE CB C 46 42.057 42.057 40.853 1.204 18484 602 1 2 . 1 1 46 46 PHE H H 46 6.912 6.912 7.914 -1.002 18484 603 1 2 . 1 1 47 47 GLU N N 47 120.217 120.217 120.396 -0.179 18484 604 1 2 . 1 1 47 47 GLU HA H 47 4.600 4.600 4.379 0.221 18484 605 1 2 . 1 1 47 47 GLU CA C 47 54.771 54.771 55.649 -0.878 18484 606 1 2 . 1 1 47 47 GLU CB C 47 32.338 32.338 33.078 -0.740 18484 607 1 2 . 1 1 47 47 GLU H H 47 8.271 8.271 8.668 -0.397 18484 608 1 2 . 1 1 48 48 VAL N N 48 121.331 121.331 123.900 -2.569 18484 609 1 2 . 1 1 48 48 VAL HA H 48 4.734 4.734 4.305 0.429 18484 610 1 2 . 1 1 48 48 VAL CA C 48 61.472 61.472 62.656 -1.184 18484 611 1 2 . 1 1 48 48 VAL CB C 48 32.699 32.699 31.926 0.773 18484 612 1 2 . 1 1 48 48 VAL H H 48 8.625 8.625 8.440 0.185 18484 613 1 2 . 1 1 49 49 ILE N N 49 132.310 132.310 127.523 4.787 18484 614 1 2 . 1 1 49 49 ILE HA H 49 4.205 4.205 4.389 -0.184 18484 615 1 2 . 1 1 49 49 ILE CA C 49 58.886 58.886 58.532 0.354 18484 616 1 2 . 1 1 49 49 ILE CB C 49 39.037 39.037 40.437 -1.400 18484 617 1 2 . 1 1 49 49 ILE H H 49 9.505 9.505 9.238 0.267 18484 618 1 2 . 1 1 50 50 LYS N N 50 125.764 125.764 125.330 0.434 18484 619 1 2 . 1 1 50 50 LYS HA H 50 5.284 5.284 4.832 0.452 18484 620 1 2 . 1 1 50 50 LYS CA C 50 54.802 54.802 54.519 0.283 18484 621 1 2 . 1 1 50 50 LYS CB C 50 34.186 34.186 32.489 1.697 18484 622 1 2 . 1 1 50 50 LYS H H 50 8.507 8.507 8.558 -0.051 18484 623 1 2 . 1 1 51 51 LYS N N 51 124.935 124.935 125.791 -0.856 18484 624 1 2 . 1 1 51 51 LYS HA H 51 4.608 4.608 4.454 0.154 18484 625 1 2 . 1 1 51 51 LYS CA C 51 54.006 54.006 54.604 -0.598 18484 626 1 2 . 1 1 51 51 LYS CB C 51 34.756 34.756 33.360 1.396 18484 627 1 2 . 1 1 51 51 LYS H H 51 9.066 9.066 8.971 0.095 18484 628 1 2 . 1 1 52 52 GLU N N 52 124.186 124.186 125.781 -1.595 18484 629 1 2 . 1 1 52 52 GLU HA H 52 4.621 4.621 4.355 0.266 18484 630 1 2 . 1 1 52 52 GLU CA C 52 55.931 55.931 56.395 -0.465 18484 631 1 2 . 1 1 52 52 GLU CB C 52 31.036 31.036 28.995 2.041 18484 632 1 2 . 1 1 52 52 GLU H H 52 8.777 8.777 8.713 0.064 18484 633 1 2 . 1 1 53 53 ASN N N 53 121.687 121.687 125.499 -3.812 18484 634 1 2 . 1 1 53 53 ASN HA H 53 5.240 5.240 5.130 0.110 18484 635 1 2 . 1 1 53 53 ASN CA C 53 49.409 49.409 50.207 -0.798 18484 636 1 2 . 1 1 53 53 ASN CB C 53 40.473 40.473 40.474 -0.001 18484 637 1 2 . 1 1 53 53 ASN H H 53 8.890 8.890 8.637 0.253 18484 638 1 2 . 1 1 54 54 PRO HA H 54 4.587 4.587 4.501 0.086 18484 639 1 2 . 1 1 54 54 PRO CA C 54 62.650 62.650 64.442 -1.792 18484 640 1 2 . 1 1 54 54 PRO CB C 54 32.219 32.219 32.341 -0.122 18484 641 1 2 . 1 1 55 55 ASN N N 55 115.629 115.629 116.452 -0.823 18484 642 1 2 . 1 1 55 55 ASN HA H 55 4.695 4.695 4.534 0.161 18484 643 1 2 . 1 1 55 55 ASN CA C 55 53.685 53.685 54.200 -0.515 18484 644 1 2 . 1 1 55 55 ASN CB C 55 39.137 39.137 38.295 0.842 18484 645 1 2 . 1 1 55 55 ASN H H 55 8.422 8.422 8.103 0.319 18484 646 1 2 . 1 1 56 56 LEU N N 56 121.277 121.277 120.567 0.710 18484 647 1 2 . 1 1 56 56 LEU HA H 56 4.686 4.686 4.270 0.416 18484 648 1 2 . 1 1 56 56 LEU CA C 56 52.145 52.145 54.974 -2.829 18484 649 1 2 . 1 1 56 56 LEU CB C 56 42.456 42.456 41.776 0.680 18484 650 1 2 . 1 1 56 56 LEU H H 56 7.278 7.278 7.430 -0.152 18484 651 1 2 . 1 1 57 57 PRO HA H 57 4.298 4.298 4.274 0.024 18484 652 1 2 . 1 1 57 57 PRO CA C 57 61.332 61.332 64.491 -3.159 18484 653 1 2 . 1 1 57 57 PRO CB C 57 32.232 32.232 32.140 0.092 18484 654 1 2 . 1 1 58 58 ALA N N 58 123.896 123.896 116.953 6.943 18484 655 1 2 . 1 1 58 58 ALA HA H 58 3.892 3.892 4.311 -0.419 18484 656 1 2 . 1 1 58 58 ALA CA C 58 53.559 53.559 51.978 1.581 18484 657 1 2 . 1 1 58 58 ALA CB C 58 19.480 19.480 19.827 -0.347 18484 658 1 2 . 1 1 58 58 ALA H H 58 8.263 8.263 7.497 0.766 18484 659 1 2 . 1 1 59 59 GLY N N 59 110.843 110.843 111.019 -0.176 18484 660 1 2 . 1 1 59 59 GLY CA C 59 45.339 45.339 45.932 -0.593 18484 661 1 2 . 1 1 59 59 GLY H H 59 8.755 8.755 8.672 0.083 18484 662 1 2 . 1 1 60 60 GLN N N 60 121.444 121.444 118.576 2.868 18484 663 1 2 . 1 1 60 60 GLN HA H 60 4.251 4.251 4.458 -0.207 18484 664 1 2 . 1 1 60 60 GLN CA C 60 56.080 56.080 55.056 1.024 18484 665 1 2 . 1 1 60 60 GLN CB C 60 29.876 29.876 31.035 -1.159 18484 666 1 2 . 1 1 60 60 GLN H H 60 7.877 7.877 8.026 -0.149 18484 667 1 2 . 1 1 61 61 GLU N N 61 123.364 123.364 126.691 -3.327 18484 668 1 2 . 1 1 61 61 GLU HA H 61 5.241 5.241 4.672 0.569 18484 669 1 2 . 1 1 61 61 GLU CA C 61 55.012 55.012 55.462 -0.450 18484 670 1 2 . 1 1 61 61 GLU CB C 61 32.368 32.368 30.025 2.343 18484 671 1 2 . 1 1 61 61 GLU H H 61 8.419 8.419 8.672 -0.253 18484 672 1 2 . 1 1 62 62 ASN N N 62 121.499 121.499 124.358 -2.859 18484 673 1 2 . 1 1 62 62 ASN HA H 62 5.078 5.078 4.930 0.148 18484 674 1 2 . 1 1 62 62 ASN CA C 62 51.617 51.617 52.265 -0.648 18484 675 1 2 . 1 1 62 62 ASN CB C 62 40.999 40.999 40.250 0.749 18484 676 1 2 . 1 1 62 62 ASN H H 62 9.164 9.164 8.527 0.637 18484 677 1 2 . 1 1 63 63 ILE N N 63 125.976 125.976 127.950 -1.974 18484 678 1 2 . 1 1 63 63 ILE HA H 63 3.979 3.979 4.580 -0.601 18484 679 1 2 . 1 1 63 63 ILE CA C 63 61.650 61.650 62.012 -0.362 18484 680 1 2 . 1 1 63 63 ILE CB C 63 37.404 37.404 38.181 -0.777 18484 681 1 2 . 1 1 63 63 ILE H H 63 9.032 9.032 8.817 0.215 18484 682 1 2 . 1 1 64 64 ILE N N 64 130.073 130.073 128.072 2.001 18484 683 1 2 . 1 1 64 64 ILE HA H 64 4.139 4.139 4.305 -0.166 18484 684 1 2 . 1 1 64 64 ILE CA C 64 60.699 60.699 61.362 -0.663 18484 685 1 2 . 1 1 64 64 ILE CB C 64 38.029 38.029 38.703 -0.674 18484 686 1 2 . 1 1 64 64 ILE H H 64 8.876 8.876 9.001 -0.125 18484 687 1 2 . 1 1 65 65 THR N N 65 116.771 116.771 116.614 0.157 18484 688 1 2 . 1 1 65 65 THR HA H 65 4.349 4.349 4.482 -0.133 18484 689 1 2 . 1 1 65 65 THR CA C 65 60.066 60.066 60.784 -0.718 18484 690 1 2 . 1 1 65 65 THR CB C 65 71.059 71.059 69.955 1.104 18484 691 1 2 . 1 1 65 65 THR H H 65 7.699 7.699 7.462 0.237 18484 692 1 2 . 1 1 66 66 ALA N N 66 130.117 130.117 129.842 0.275 18484 693 1 2 . 1 1 66 66 ALA HA H 66 3.928 3.928 4.198 -0.270 18484 694 1 2 . 1 1 66 66 ALA CA C 66 51.617 51.617 52.235 -0.618 18484 695 1 2 . 1 1 66 66 ALA CB C 66 19.653 19.653 18.637 1.016 18484 696 1 2 . 1 1 66 66 ALA H H 66 8.579 8.579 8.457 0.122 18484 697 1 2 . 1 1 67 67 GLY N N 67 107.619 107.619 111.933 -4.314 18484 698 1 2 . 1 1 67 67 GLY CA C 67 43.606 43.606 44.624 -1.018 18484 699 1 2 . 1 1 67 67 GLY H H 67 8.387 8.387 7.958 0.429 18484 700 1 2 . 1 1 68 68 VAL N N 68 123.776 123.776 124.620 -0.844 18484 701 1 2 . 1 1 68 68 VAL HA H 68 4.124 4.124 3.953 0.171 18484 702 1 2 . 1 1 68 68 VAL CA C 68 60.443 60.443 59.629 0.814 18484 703 1 2 . 1 1 68 68 VAL CB C 68 34.972 34.972 36.341 -1.369 18484 704 1 2 . 1 1 68 68 VAL H H 68 8.966 8.966 7.896 1.070 18484 705 1 2 . 1 1 69 69 LYS N N 69 125.803 125.803 125.026 0.777 18484 706 1 2 . 1 1 69 69 LYS HA H 69 4.448 4.448 4.491 -0.043 18484 707 1 2 . 1 1 69 69 LYS CA C 69 57.012 57.012 56.756 0.256 18484 708 1 2 . 1 1 69 69 LYS CB C 69 33.410 33.410 32.090 1.321 18484 709 1 2 . 1 1 69 69 LYS H H 69 8.799 8.799 8.823 -0.024 18484 710 1 2 . 1 1 70 70 GLY N N 70 108.188 108.188 111.841 -3.653 18484 711 1 2 . 1 1 70 70 GLY CA C 70 43.549 43.549 43.964 -0.415 18484 712 1 2 . 1 1 70 70 GLY H H 70 8.858 8.858 8.224 0.634 18484 713 1 2 . 1 1 71 71 GLU N N 71 123.030 123.030 117.999 5.031 18484 714 1 2 . 1 1 71 71 GLU HA H 71 5.059 5.059 4.774 0.285 18484 715 1 2 . 1 1 71 71 GLU CA C 71 56.146 56.146 56.269 -0.123 18484 716 1 2 . 1 1 71 71 GLU CB C 71 36.142 36.142 32.678 3.464 18484 717 1 2 . 1 1 71 71 GLU H H 71 9.538 9.538 8.433 1.105 18484 718 1 2 . 1 1 72 72 ARG N N 72 126.426 126.426 126.582 -0.156 18484 719 1 2 . 1 1 72 72 ARG HA H 72 5.059 5.059 4.728 0.331 18484 720 1 2 . 1 1 72 72 ARG CA C 72 54.001 54.001 55.048 -1.047 18484 721 1 2 . 1 1 72 72 ARG CB C 72 33.500 33.500 32.369 1.131 18484 722 1 2 . 1 1 72 72 ARG H H 72 9.191 9.191 8.093 1.098 18484 723 1 2 . 1 1 73 73 THR N N 73 120.983 120.983 124.163 -3.180 18484 724 1 2 . 1 1 73 73 THR HA H 73 4.522 4.522 4.451 0.071 18484 725 1 2 . 1 1 73 73 THR CA C 73 60.953 60.953 64.542 -3.589 18484 726 1 2 . 1 1 73 73 THR CB C 73 68.412 68.412 69.517 -1.105 18484 727 1 2 . 1 1 73 73 THR H H 73 9.249 9.249 8.491 0.758 18484 728 1 2 . 1 1 74 74 HIS N N 74 125.685 125.685 126.569 -0.884 18484 729 1 2 . 1 1 74 74 HIS HA H 74 5.153 5.153 4.517 0.636 18484 730 1 2 . 1 1 74 74 HIS CA C 74 54.487 54.487 55.316 -0.829 18484 731 1 2 . 1 1 74 74 HIS CB C 74 32.997 32.997 30.910 2.087 18484 732 1 2 . 1 1 74 74 HIS H H 74 9.056 9.056 8.929 0.127 18484 733 1 2 . 1 1 75 75 TYR N N 75 123.688 123.688 124.242 -0.554 18484 734 1 2 . 1 1 75 75 TYR HA H 75 4.868 4.868 4.675 0.193 18484 735 1 2 . 1 1 75 75 TYR CA C 75 56.499 56.499 55.375 1.124 18484 736 1 2 . 1 1 75 75 TYR CB C 75 38.425 38.425 35.889 2.536 18484 737 1 2 . 1 1 75 75 TYR H H 75 8.945 8.945 7.718 1.227 18484 738 1 2 . 1 1 76 76 ILE N N 76 125.717 125.717 124.401 1.316 18484 739 1 2 . 1 1 76 76 ILE HA H 76 4.800 4.800 4.478 0.322 18484 740 1 2 . 1 1 76 76 ILE CA C 76 58.787 58.787 60.838 -2.051 18484 741 1 2 . 1 1 76 76 ILE CB C 76 42.034 42.034 40.593 1.441 18484 742 1 2 . 1 1 76 76 ILE H H 76 9.079 9.079 9.370 -0.291 18484 743 1 2 . 1 1 77 77 SER N N 77 120.473 120.473 118.161 2.312 18484 744 1 2 . 1 1 77 77 SER HA H 77 5.183 5.183 4.781 0.402 18484 745 1 2 . 1 1 77 77 SER CA C 77 55.930 55.930 56.591 -0.661 18484 746 1 2 . 1 1 77 77 SER CB C 77 63.118 63.118 64.099 -0.981 18484 747 1 2 . 1 1 77 77 SER H H 77 9.047 9.047 8.113 0.934 18484 748 1 2 . 1 1 78 78 VAL N N 78 128.488 128.488 125.360 3.128 18484 749 1 2 . 1 1 78 78 VAL HA H 78 4.729 4.729 4.174 0.555 18484 750 1 2 . 1 1 78 78 VAL CA C 78 60.517 60.517 61.674 -1.157 18484 751 1 2 . 1 1 78 78 VAL CB C 78 33.685 33.685 31.101 2.584 18484 752 1 2 . 1 1 78 78 VAL H H 78 9.301 9.301 7.930 1.371 18484 753 1 2 . 1 1 79 79 LEU N N 79 129.698 129.698 129.836 -0.138 18484 754 1 2 . 1 1 79 79 LEU HA H 79 4.783 4.783 4.672 0.111 18484 755 1 2 . 1 1 79 79 LEU CA C 79 53.873 53.873 53.119 0.754 18484 756 1 2 . 1 1 79 79 LEU CB C 79 45.605 45.605 42.357 3.248 18484 757 1 2 . 1 1 79 79 LEU H H 79 8.553 8.553 7.776 0.777 18484 758 1 2 . 1 1 80 80 THR N N 80 123.276 123.276 117.025 6.251 18484 759 1 2 . 1 1 80 80 THR HA H 80 5.096 5.096 4.334 0.762 18484 760 1 2 . 1 1 80 80 THR CA C 80 60.231 60.231 61.622 -1.391 18484 761 1 2 . 1 1 80 80 THR CB C 80 68.171 68.171 68.416 -0.245 18484 762 1 2 . 1 1 80 80 THR H H 80 8.754 8.754 8.862 -0.108 18484 763 1 2 . 1 1 81 81 GLU N N 81 125.405 125.405 129.185 -3.780 18484 764 1 2 . 1 1 81 81 GLU HA H 81 4.530 4.530 4.320 0.210 18484 765 1 2 . 1 1 81 81 GLU CA C 81 55.372 55.372 56.084 -0.712 18484 766 1 2 . 1 1 81 81 GLU CB C 81 32.374 32.374 29.602 2.772 18484 767 1 2 . 1 1 81 81 GLU H H 81 8.615 8.615 8.733 -0.118 18484 768 1 2 . 1 1 82 82 ASN N N 82 124.375 124.375 122.275 2.100 18484 769 1 2 . 1 1 82 82 ASN HA H 82 4.360 4.360 4.433 -0.073 18484 770 1 2 . 1 1 82 82 ASN CA C 82 54.328 54.328 53.710 0.618 18484 771 1 2 . 1 1 82 82 ASN CB C 82 37.432 37.432 37.358 0.073 18484 772 1 2 . 1 1 82 82 ASN H H 82 9.559 9.559 8.867 0.692 18484 773 1 2 . 1 1 83 83 GLY N N 83 103.733 103.733 105.087 -1.354 18484 774 1 2 . 1 1 83 83 GLY CA C 83 45.359 45.359 45.027 0.332 18484 775 1 2 . 1 1 83 83 GLY H H 83 8.626 8.626 8.239 0.387 18484 776 1 2 . 1 1 84 84 LYS N N 84 121.407 121.407 119.715 1.692 18484 777 1 2 . 1 1 84 84 LYS HA H 84 4.698 4.698 4.426 0.272 18484 778 1 2 . 1 1 84 84 LYS CA C 84 55.182 55.182 55.301 -0.119 18484 779 1 2 . 1 1 84 84 LYS CB C 84 34.807 34.807 33.909 0.898 18484 780 1 2 . 1 1 84 84 LYS H H 84 7.813 7.813 7.980 -0.167 18484 781 1 2 . 1 1 85 85 THR N N 85 121.799 121.799 120.422 1.377 18484 782 1 2 . 1 1 85 85 THR HA H 85 5.194 5.194 4.462 0.732 18484 783 1 2 . 1 1 85 85 THR CA C 85 60.472 60.472 61.981 -1.509 18484 784 1 2 . 1 1 85 85 THR CB C 85 69.134 69.134 67.844 1.290 18484 785 1 2 . 1 1 85 85 THR H H 85 8.796 8.796 8.642 0.154 18484 786 1 2 . 1 1 86 86 THR N N 86 122.071 122.071 123.078 -1.007 18484 787 1 2 . 1 1 86 86 THR HA H 86 4.535 4.535 4.252 0.283 18484 788 1 2 . 1 1 86 86 THR CA C 86 59.990 59.990 62.924 -2.934 18484 789 1 2 . 1 1 86 86 THR CB C 86 69.856 69.856 69.322 0.534 18484 790 1 2 . 1 1 86 86 THR H H 86 9.134 9.134 8.429 0.705 18484 791 1 2 . 1 1 87 87 GLU N N 87 126.429 126.429 128.150 -1.721 18484 792 1 2 . 1 1 87 87 GLU HA H 87 5.030 5.030 4.392 0.638 18484 793 1 2 . 1 1 87 87 GLU CA C 87 55.029 55.029 55.855 -0.826 18484 794 1 2 . 1 1 87 87 GLU CB C 87 31.746 31.746 29.241 2.505 18484 795 1 2 . 1 1 87 87 GLU H H 87 8.905 8.905 8.563 0.342 18484 796 1 2 . 1 1 88 88 THR N N 88 120.353 120.353 121.084 -0.731 18484 797 1 2 . 1 1 88 88 THR HA H 88 4.450 4.450 4.496 -0.046 18484 798 1 2 . 1 1 88 88 THR CA C 88 60.472 60.472 61.530 -1.058 18484 799 1 2 . 1 1 88 88 THR CB C 88 70.646 70.646 70.478 0.168 18484 800 1 2 . 1 1 88 88 THR H H 88 9.016 9.016 7.997 1.019 18484 801 1 2 . 1 1 89 89 VAL N N 89 128.484 128.484 127.118 1.366 18484 802 1 2 . 1 1 89 89 VAL HA H 89 3.978 3.978 3.979 -0.001 18484 803 1 2 . 1 1 89 89 VAL CA C 89 62.471 62.471 63.612 -1.141 18484 804 1 2 . 1 1 89 89 VAL CB C 89 31.216 31.216 32.442 -1.226 18484 805 1 2 . 1 1 89 89 VAL H H 89 9.054 9.054 8.812 0.242 18484 806 1 2 . 1 1 90 90 LEU N N 90 130.587 130.587 128.111 2.476 18484 807 1 2 . 1 1 90 90 LEU HA H 90 4.325 4.325 4.720 -0.395 18484 808 1 2 . 1 1 90 90 LEU CA C 90 56.129 56.129 54.827 1.302 18484 809 1 2 . 1 1 90 90 LEU CB C 90 42.958 42.958 43.193 -0.235 18484 810 1 2 . 1 1 90 90 LEU H H 90 9.426 9.426 8.509 0.917 18484 811 1 2 . 1 1 91 91 ASP N N 91 114.928 114.928 120.982 -6.054 18484 812 1 2 . 1 1 91 91 ASP HA H 91 4.846 4.846 4.829 0.017 18484 813 1 2 . 1 1 91 91 ASP CA C 91 53.688 53.688 53.522 0.166 18484 814 1 2 . 1 1 91 91 ASP CB C 91 43.521 43.521 43.101 0.420 18484 815 1 2 . 1 1 91 91 ASP H H 91 7.924 7.924 7.916 0.008 18484 816 1 2 . 1 1 92 92 SER N N 92 117.203 117.203 119.025 -1.822 18484 817 1 2 . 1 1 92 92 SER HA H 92 5.519 5.519 2.828 2.691 18484 818 1 2 . 1 1 92 92 SER CA C 92 56.622 56.622 56.471 0.151 18484 819 1 2 . 1 1 92 92 SER CB C 92 63.359 63.359 65.101 -1.742 18484 820 1 2 . 1 1 92 92 SER H H 92 8.376 8.376 8.231 0.145 18484 821 1 2 . 1 1 93 93 GLN N N 93 122.058 122.058 120.595 1.463 18484 822 1 2 . 1 1 93 93 GLN HA H 93 4.731 4.731 4.467 0.264 18484 823 1 2 . 1 1 93 93 GLN CA C 93 54.781 54.781 54.248 0.533 18484 824 1 2 . 1 1 93 93 GLN CB C 93 33.312 33.312 31.685 1.627 18484 825 1 2 . 1 1 93 93 GLN H H 93 9.005 9.005 7.317 1.688 18484 826 1 2 . 1 1 94 94 VAL N N 94 125.231 125.231 120.758 4.473 18484 827 1 2 . 1 1 94 94 VAL HA H 94 4.233 4.233 4.150 0.083 18484 828 1 2 . 1 1 94 94 VAL CA C 94 63.282 63.282 61.973 1.309 18484 829 1 2 . 1 1 94 94 VAL CB C 94 30.906 30.906 31.834 -0.928 18484 830 1 2 . 1 1 94 94 VAL H H 94 9.085 9.085 8.341 0.744 18484 831 1 2 . 1 1 95 95 THR N N 95 121.170 121.170 121.424 -0.254 18484 832 1 2 . 1 1 95 95 THR HA H 95 4.384 4.384 4.553 -0.169 18484 833 1 2 . 1 1 95 95 THR CA C 95 60.953 60.953 61.092 -0.139 18484 834 1 2 . 1 1 95 95 THR CB C 95 68.653 68.653 68.079 0.574 18484 835 1 2 . 1 1 95 95 THR H H 95 8.521 8.521 8.545 -0.024 18484 836 1 2 . 1 1 96 96 LYS N N 96 123.236 123.236 122.312 0.924 18484 837 1 2 . 1 1 96 96 LYS HA H 96 4.418 4.418 4.232 0.186 18484 838 1 2 . 1 1 96 96 LYS CA C 96 56.418 56.418 57.259 -0.841 18484 839 1 2 . 1 1 96 96 LYS CB C 96 35.690 35.690 32.939 2.751 18484 840 1 2 . 1 1 96 96 LYS H H 96 7.912 7.912 8.192 -0.280 18484 841 1 2 . 1 1 97 97 GLU N N 97 125.835 125.835 120.547 5.288 18484 842 1 2 . 1 1 97 97 GLU HA H 97 4.151 4.151 4.139 0.012 18484 843 1 2 . 1 1 97 97 GLU CA C 97 56.412 56.412 56.756 -0.344 18484 844 1 2 . 1 1 97 97 GLU CB C 97 29.948 29.948 30.027 -0.080 18484 845 1 2 . 1 1 97 97 GLU H H 97 8.665 8.665 8.286 0.379 18484 846 1 2 . 1 1 98 98 VAL N N 98 122.204 122.204 125.262 -3.058 18484 847 1 2 . 1 1 98 98 VAL HA H 98 3.915 3.915 4.109 -0.194 18484 848 1 2 . 1 1 98 98 VAL CA C 98 60.208 60.208 62.713 -2.505 18484 849 1 2 . 1 1 98 98 VAL CB C 98 33.692 33.692 32.223 1.469 18484 850 1 2 . 1 1 98 98 VAL H H 98 8.339 8.339 8.460 -0.121 18484 851 1 2 . 1 1 99 99 ILE N N 99 127.874 127.874 130.246 -2.372 18484 852 1 2 . 1 1 99 99 ILE HA H 99 4.197 4.197 3.932 0.265 18484 853 1 2 . 1 1 99 99 ILE CA C 99 60.606 60.606 61.490 -0.884 18484 854 1 2 . 1 1 99 99 ILE CB C 99 39.186 39.186 38.281 0.905 18484 855 1 2 . 1 1 99 99 ILE H H 99 8.608 8.608 7.846 0.762 18484 856 1 2 . 1 1 100 100 ASN N N 100 123.343 123.343 127.320 -3.977 18484 857 1 2 . 1 1 100 100 ASN HA H 100 4.914 4.914 4.894 0.020 18484 858 1 2 . 1 1 100 100 ASN CA C 100 53.704 53.704 52.819 0.885 18484 859 1 2 . 1 1 100 100 ASN CB C 100 37.731 37.731 39.421 -1.690 18484 860 1 2 . 1 1 100 100 ASN H H 100 8.446 8.446 8.552 -0.106 18484 861 1 2 . 1 1 101 101 GLN N N 101 120.980 120.980 123.235 -2.255 18484 862 1 2 . 1 1 101 101 GLN HA H 101 4.325 4.325 4.348 -0.024 18484 863 1 2 . 1 1 101 101 GLN CA C 101 54.659 54.659 56.318 -1.659 18484 864 1 2 . 1 1 101 101 GLN CB C 101 31.616 31.616 27.835 3.781 18484 865 1 2 . 1 1 101 101 GLN H H 101 8.254 8.254 8.869 -0.615 18484 866 1 2 . 1 1 102 102 VAL N N 102 127.057 127.057 128.469 -1.412 18484 867 1 2 . 1 1 102 102 VAL HA H 102 4.965 4.965 4.003 0.962 18484 868 1 2 . 1 1 102 102 VAL CA C 102 60.264 60.264 62.600 -2.336 18484 869 1 2 . 1 1 102 102 VAL CB C 102 33.626 33.626 31.564 2.062 18484 870 1 2 . 1 1 102 102 VAL H H 102 8.742 8.742 8.808 -0.066 18484 871 1 2 . 1 1 103 103 VAL N N 103 127.794 127.794 127.282 0.512 18484 872 1 2 . 1 1 103 103 VAL HA H 103 4.812 4.812 4.773 0.039 18484 873 1 2 . 1 1 103 103 VAL CA C 103 58.547 58.547 59.130 -0.584 18484 874 1 2 . 1 1 103 103 VAL CB C 103 35.718 35.718 32.748 2.970 18484 875 1 2 . 1 1 103 103 VAL H H 103 9.160 9.160 8.320 0.840 18484 876 1 2 . 1 1 104 104 GLU N N 104 125.160 125.160 127.238 -2.078 18484 877 1 2 . 1 1 104 104 GLU HA H 104 5.513 5.513 4.950 0.563 18484 878 1 2 . 1 1 104 104 GLU CA C 104 53.721 53.721 53.651 0.070 18484 879 1 2 . 1 1 104 104 GLU CB C 104 32.383 32.383 29.707 2.676 18484 880 1 2 . 1 1 104 104 GLU H H 104 9.085 9.085 8.955 0.130 18484 881 1 2 . 1 1 105 105 VAL N N 105 117.602 117.602 126.710 -9.108 18484 882 1 2 . 1 1 105 105 VAL HA H 105 5.241 5.241 4.528 0.713 18484 883 1 2 . 1 1 105 105 VAL CA C 105 57.055 57.055 61.965 -4.910 18484 884 1 2 . 1 1 105 105 VAL CB C 105 35.204 35.204 32.069 3.135 18484 885 1 2 . 1 1 105 105 VAL H H 105 8.536 8.536 8.556 -0.020 18484 886 1 2 . 1 1 106 106 GLY N N 106 111.023 111.023 116.498 -5.475 18484 887 1 2 . 1 1 106 106 GLY CA C 106 46.117 46.117 44.806 1.311 18484 888 1 2 . 1 1 106 106 GLY H H 106 8.635 8.635 8.769 -0.134 18484 889 1 2 . 1 1 107 107 ALA N N 107 127.369 127.369 128.319 -0.950 18484 890 1 2 . 1 1 107 107 ALA HA H 107 4.515 4.515 4.795 -0.280 18484 891 1 2 . 1 1 107 107 ALA CA C 107 50.477 50.477 48.787 1.690 18484 892 1 2 . 1 1 107 107 ALA CB C 107 19.924 19.924 19.173 0.751 18484 893 1 2 . 1 1 107 107 ALA H H 107 7.929 7.929 8.238 -0.309 18484 894 1 2 . 1 1 108 108 PRO HA H 108 4.494 4.494 4.344 0.150 18484 895 1 2 . 1 1 108 108 PRO CA C 108 61.698 61.698 62.246 -0.548 18484 896 1 2 . 1 1 108 108 PRO CB C 108 31.900 31.900 30.248 1.652 18484 897 1 2 . 1 1 109 109 VAL N N 109 119.821 119.821 120.443 -0.622 18484 898 1 2 . 1 1 109 109 VAL HA H 109 4.092 4.092 3.612 0.480 18484 899 1 2 . 1 1 109 109 VAL CA C 109 60.949 60.949 63.809 -2.860 18484 900 1 2 . 1 1 109 109 VAL CB C 109 32.389 32.389 31.444 0.945 18484 901 1 2 . 1 1 109 109 VAL H H 109 8.303 8.303 8.223 0.080 18484 902 1 2 . 1 1 110 110 THR N N 110 118.171 118.171 113.643 4.528 18484 903 1 2 . 1 1 110 110 THR HA H 110 4.338 4.338 4.145 0.193 18484 904 1 2 . 1 1 110 110 THR CA C 110 59.028 59.028 61.509 -2.481 18484 905 1 2 . 1 1 110 110 THR CB C 110 67.676 67.676 69.479 -1.803 18484 906 1 2 . 1 1 110 110 THR H H 110 8.209 8.209 7.550 0.659 18484 907 1 3 . 1 1 2 2 GLY N N 2 110.403 110.403 108.737 1.666 18484 908 1 3 . 1 1 2 2 GLY H H 2 8.459 8.459 8.286 0.173 18484 909 1 3 . 1 1 10 10 SER HA H 10 4.435 4.435 4.450 -0.015 18484 910 1 3 . 1 1 11 11 SER CA C 11 57.649 57.649 58.080 -0.431 18484 911 1 3 . 1 1 11 11 SER CB C 11 62.672 62.672 63.745 -1.073 18484 912 1 3 . 1 1 12 12 GLY N N 12 110.471 110.471 110.227 0.244 18484 913 1 3 . 1 1 12 12 GLY CA C 12 45.312 45.312 45.091 0.221 18484 914 1 3 . 1 1 12 12 GLY H H 12 8.365 8.365 8.186 0.179 18484 915 1 3 . 1 1 13 13 LEU N N 13 121.432 121.432 119.078 2.354 18484 916 1 3 . 1 1 13 13 LEU HA H 13 4.327 4.327 4.780 -0.453 18484 917 1 3 . 1 1 13 13 LEU CA C 13 55.573 55.573 54.997 0.576 18484 918 1 3 . 1 1 13 13 LEU CB C 13 42.428 42.428 43.260 -0.832 18484 919 1 3 . 1 1 13 13 LEU H H 13 8.024 8.024 8.054 -0.030 18484 920 1 3 . 1 1 14 14 VAL N N 14 122.309 122.309 114.859 7.450 18484 921 1 3 . 1 1 14 14 VAL H H 14 8.062 8.062 7.485 0.577 18484 922 1 3 . 1 1 16 16 ARG N N 16 121.951 121.951 118.798 3.153 18484 923 1 3 . 1 1 16 16 ARG HA H 16 4.312 4.312 4.252 0.060 18484 924 1 3 . 1 1 16 16 ARG CA C 16 56.102 56.102 56.537 -0.435 18484 925 1 3 . 1 1 16 16 ARG CB C 16 30.891 30.891 30.326 0.565 18484 926 1 3 . 1 1 16 16 ARG H H 16 8.465 8.465 8.518 -0.053 18484 927 1 3 . 1 1 20 20 MET HA H 20 4.435 4.435 4.459 -0.024 18484 928 1 3 . 1 1 20 20 MET CA C 20 55.500 55.500 57.198 -1.698 18484 929 1 3 . 1 1 20 20 MET CB C 20 32.070 32.070 33.706 -1.636 18484 930 1 3 . 1 1 21 21 SER N N 21 117.005 117.005 111.978 5.027 18484 931 1 3 . 1 1 21 21 SER HA H 21 4.435 4.435 4.638 -0.203 18484 932 1 3 . 1 1 21 21 SER CA C 21 57.066 57.066 58.098 -1.032 18484 933 1 3 . 1 1 21 21 SER CB C 21 62.566 62.566 64.432 -1.866 18484 934 1 3 . 1 1 21 21 SER H H 21 8.332 8.332 7.803 0.529 18484 935 1 3 . 1 1 22 22 LEU N N 22 124.083 124.083 121.592 2.491 18484 936 1 3 . 1 1 22 22 LEU HA H 22 4.348 4.348 4.056 0.292 18484 937 1 3 . 1 1 22 22 LEU CA C 22 55.471 55.471 55.180 0.291 18484 938 1 3 . 1 1 22 22 LEU CB C 22 42.322 42.322 42.208 0.114 18484 939 1 3 . 1 1 22 22 LEU H H 22 8.340 8.340 8.408 -0.068 18484 940 1 3 . 1 1 23 23 ASP N N 23 120.867 120.867 117.841 3.026 18484 941 1 3 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.661 -0.095 18484 942 1 3 . 1 1 23 23 ASP CA C 23 54.687 54.687 53.306 1.381 18484 943 1 3 . 1 1 23 23 ASP CB C 23 41.553 41.553 41.815 -0.262 18484 944 1 3 . 1 1 23 23 ASP H H 23 8.312 8.312 8.179 0.133 18484 945 1 3 . 1 1 24 24 GLU N N 24 121.470 121.470 122.210 -0.740 18484 946 1 3 . 1 1 24 24 GLU HA H 24 4.566 4.566 4.159 0.407 18484 947 1 3 . 1 1 24 24 GLU CA C 24 56.921 56.921 57.382 -0.461 18484 948 1 3 . 1 1 24 24 GLU CB C 24 30.015 30.015 30.004 0.011 18484 949 1 3 . 1 1 24 24 GLU H H 24 8.411 8.411 8.458 -0.047 18484 950 1 3 . 1 1 25 25 ASN N N 25 118.582 118.582 122.819 -4.237 18484 951 1 3 . 1 1 25 25 ASN HA H 25 4.707 4.707 4.878 -0.171 18484 952 1 3 . 1 1 25 25 ASN CA C 25 53.593 53.593 53.243 0.350 18484 953 1 3 . 1 1 25 25 ASN CB C 25 39.188 39.188 38.739 0.449 18484 954 1 3 . 1 1 25 25 ASN H H 25 8.436 8.436 8.654 -0.218 18484 955 1 3 . 1 1 26 26 GLU N N 26 121.262 121.262 118.207 3.055 18484 956 1 3 . 1 1 26 26 GLU HA H 26 4.247 4.247 3.925 0.322 18484 957 1 3 . 1 1 26 26 GLU CA C 26 56.310 56.310 57.091 -0.781 18484 958 1 3 . 1 1 26 26 GLU CB C 26 30.342 30.342 29.653 0.689 18484 959 1 3 . 1 1 26 26 GLU H H 26 8.196 8.196 8.107 0.089 18484 960 1 3 . 1 1 27 27 VAL N N 27 121.381 121.381 118.016 3.365 18484 961 1 3 . 1 1 27 27 VAL HA H 27 4.036 4.036 3.767 0.269 18484 962 1 3 . 1 1 27 27 VAL CA C 27 62.396 62.396 62.749 -0.353 18484 963 1 3 . 1 1 27 27 VAL CB C 27 32.770 32.770 31.846 0.923 18484 964 1 3 . 1 1 27 27 VAL H H 27 8.092 8.092 8.164 -0.072 18484 965 1 3 . 1 1 28 28 ALA N N 28 127.549 127.549 125.221 2.328 18484 966 1 3 . 1 1 28 28 ALA HA H 28 4.300 4.300 4.120 0.180 18484 967 1 3 . 1 1 28 28 ALA CA C 28 52.388 52.388 52.737 -0.349 18484 968 1 3 . 1 1 28 28 ALA CB C 28 20.383 20.383 19.285 1.098 18484 969 1 3 . 1 1 28 28 ALA H H 28 8.280 8.280 8.185 0.095 18484 970 1 3 . 1 1 29 29 ALA N N 29 122.963 122.963 123.466 -0.503 18484 971 1 3 . 1 1 29 29 ALA HA H 29 4.257 4.257 4.294 -0.037 18484 972 1 3 . 1 1 29 29 ALA CA C 29 52.737 52.737 51.940 0.798 18484 973 1 3 . 1 1 29 29 ALA CB C 29 20.585 20.585 19.832 0.753 18484 974 1 3 . 1 1 29 29 ALA H H 29 8.182 8.182 8.394 -0.212 18484 975 1 3 . 1 1 30 30 ASN N N 30 117.863 117.863 116.880 0.983 18484 976 1 3 . 1 1 30 30 ASN HA H 30 4.697 4.697 4.586 0.111 18484 977 1 3 . 1 1 30 30 ASN CA C 30 53.107 53.107 53.511 -0.404 18484 978 1 3 . 1 1 30 30 ASN CB C 30 38.876 38.876 38.863 0.013 18484 979 1 3 . 1 1 30 30 ASN H H 30 8.323 8.323 8.197 0.126 18484 980 1 3 . 1 1 31 31 VAL N N 31 120.074 120.074 118.546 1.528 18484 981 1 3 . 1 1 31 31 VAL HA H 31 4.131 4.131 4.545 -0.414 18484 982 1 3 . 1 1 31 31 VAL CA C 31 60.983 60.983 61.847 -0.864 18484 983 1 3 . 1 1 31 31 VAL CB C 31 32.827 32.827 33.301 -0.474 18484 984 1 3 . 1 1 31 31 VAL H H 31 8.041 8.041 8.023 0.018 18484 985 1 3 . 1 1 32 32 GLU N N 32 124.378 124.378 121.228 3.150 18484 986 1 3 . 1 1 32 32 GLU HA H 32 4.339 4.339 4.367 -0.028 18484 987 1 3 . 1 1 32 32 GLU CA C 32 56.728 56.728 57.425 -0.697 18484 988 1 3 . 1 1 32 32 GLU CB C 32 30.439 30.439 29.719 0.720 18484 989 1 3 . 1 1 32 32 GLU H H 32 8.487 8.487 8.814 -0.327 18484 990 1 3 . 1 1 33 33 THR N N 33 116.772 116.772 113.152 3.620 18484 991 1 3 . 1 1 33 33 THR HA H 33 4.312 4.312 3.986 0.326 18484 992 1 3 . 1 1 33 33 THR CA C 33 60.472 60.472 62.405 -1.933 18484 993 1 3 . 1 1 33 33 THR CB C 33 68.412 68.412 68.177 0.235 18484 994 1 3 . 1 1 33 33 THR H H 33 8.224 8.224 7.970 0.254 18484 995 1 3 . 1 1 34 34 ARG N N 34 124.955 124.955 118.543 6.412 18484 996 1 3 . 1 1 34 34 ARG HA H 34 4.732 4.732 4.144 0.588 18484 997 1 3 . 1 1 34 34 ARG CA C 34 53.635 53.635 56.325 -2.690 18484 998 1 3 . 1 1 34 34 ARG CB C 34 30.581 30.581 28.917 1.664 18484 999 1 3 . 1 1 34 34 ARG H H 34 8.438 8.438 8.103 0.335 18484 1000 1 3 . 1 1 35 35 PRO HA H 35 4.667 4.667 4.395 0.272 18484 1001 1 3 . 1 1 35 35 PRO CA C 35 61.995 61.995 64.153 -2.158 18484 1002 1 3 . 1 1 35 35 PRO CB C 35 32.459 32.459 32.562 -0.103 18484 1003 1 3 . 1 1 36 36 GLU N N 36 121.398 121.398 116.835 4.563 18484 1004 1 3 . 1 1 36 36 GLU HA H 36 4.509 4.509 4.456 0.053 18484 1005 1 3 . 1 1 36 36 GLU CA C 36 55.563 55.563 55.873 -0.310 18484 1006 1 3 . 1 1 36 36 GLU CB C 36 31.628 31.628 31.239 0.389 18484 1007 1 3 . 1 1 36 36 GLU H H 36 8.663 8.663 8.165 0.498 18484 1008 1 3 . 1 1 37 37 LEU N N 37 125.233 125.233 125.108 0.125 18484 1009 1 3 . 1 1 37 37 LEU HA H 37 5.240 5.240 4.467 0.773 18484 1010 1 3 . 1 1 37 37 LEU CA C 37 54.120 54.120 54.832 -0.712 18484 1011 1 3 . 1 1 37 37 LEU CB C 37 42.407 42.407 41.773 0.634 18484 1012 1 3 . 1 1 37 37 LEU H H 37 8.352 8.352 8.582 -0.230 18484 1013 1 3 . 1 1 38 38 ILE N N 38 121.904 121.904 124.941 -3.037 18484 1014 1 3 . 1 1 38 38 ILE HA H 38 4.775 4.775 4.423 0.352 18484 1015 1 3 . 1 1 38 38 ILE CA C 38 58.065 58.065 60.413 -2.348 18484 1016 1 3 . 1 1 38 38 ILE CB C 38 41.790 41.790 39.490 2.300 18484 1017 1 3 . 1 1 38 38 ILE H H 38 9.224 9.224 8.405 0.819 18484 1018 1 3 . 1 1 39 39 THR N N 39 111.692 111.692 113.630 -1.938 18484 1019 1 3 . 1 1 39 39 THR HA H 39 5.443 5.443 4.866 0.577 18484 1020 1 3 . 1 1 39 39 THR CA C 39 57.825 57.825 61.391 -3.566 18484 1021 1 3 . 1 1 39 39 THR CB C 39 70.337 70.337 70.761 -0.424 18484 1022 1 3 . 1 1 39 39 THR H H 39 8.077 8.077 8.176 -0.099 18484 1023 1 3 . 1 1 40 40 ARG N N 40 121.666 121.666 125.416 -3.750 18484 1024 1 3 . 1 1 40 40 ARG HA H 40 4.707 4.707 4.666 0.041 18484 1025 1 3 . 1 1 40 40 ARG CA C 40 55.674 55.674 54.927 0.747 18484 1026 1 3 . 1 1 40 40 ARG CB C 40 34.932 34.932 32.858 2.074 18484 1027 1 3 . 1 1 40 40 ARG H H 40 8.558 8.558 9.218 -0.660 18484 1028 1 3 . 1 1 41 41 THR N N 41 115.335 115.335 119.470 -4.135 18484 1029 1 3 . 1 1 41 41 THR HA H 41 5.345 5.345 4.829 0.516 18484 1030 1 3 . 1 1 41 41 THR CA C 41 59.028 59.028 61.703 -2.675 18484 1031 1 3 . 1 1 41 41 THR CB C 41 70.332 70.332 69.734 0.598 18484 1032 1 3 . 1 1 41 41 THR H H 41 8.532 8.532 8.595 -0.063 18484 1033 1 3 . 1 1 42 42 GLU N N 42 122.278 122.278 128.382 -6.104 18484 1034 1 3 . 1 1 42 42 GLU HA H 42 4.705 4.705 4.497 0.208 18484 1035 1 3 . 1 1 42 42 GLU CA C 42 54.318 54.318 54.656 -0.338 18484 1036 1 3 . 1 1 42 42 GLU CB C 42 33.984 33.984 31.142 2.842 18484 1037 1 3 . 1 1 42 42 GLU H H 42 9.049 9.049 8.201 0.848 18484 1038 1 3 . 1 1 43 43 GLU N N 43 122.782 122.782 122.308 0.474 18484 1039 1 3 . 1 1 43 43 GLU HA H 43 4.659 4.659 4.205 0.454 18484 1040 1 3 . 1 1 43 43 GLU CA C 43 56.074 56.074 56.935 -0.861 18484 1041 1 3 . 1 1 43 43 GLU CB C 43 31.559 31.559 28.595 2.964 18484 1042 1 3 . 1 1 43 43 GLU H H 43 8.722 8.722 8.591 0.131 18484 1043 1 3 . 1 1 44 44 ILE N N 44 123.255 123.255 127.136 -3.881 18484 1044 1 3 . 1 1 44 44 ILE HA H 44 4.557 4.557 4.371 0.186 18484 1045 1 3 . 1 1 44 44 ILE CA C 44 55.622 55.622 58.472 -2.850 18484 1046 1 3 . 1 1 44 44 ILE CB C 44 40.902 40.902 38.372 2.530 18484 1047 1 3 . 1 1 44 44 ILE H H 44 7.740 7.740 7.746 -0.006 18484 1048 1 3 . 1 1 45 45 PRO HA H 45 4.177 4.177 4.563 -0.386 18484 1049 1 3 . 1 1 45 45 PRO CA C 45 61.978 61.978 62.019 -0.041 18484 1050 1 3 . 1 1 45 45 PRO CB C 45 32.314 32.314 32.446 -0.132 18484 1051 1 3 . 1 1 46 46 PHE N N 46 114.670 114.670 116.866 -2.196 18484 1052 1 3 . 1 1 46 46 PHE HA H 46 4.913 4.913 4.843 0.070 18484 1053 1 3 . 1 1 46 46 PHE CA C 46 54.749 54.749 56.460 -1.711 18484 1054 1 3 . 1 1 46 46 PHE CB C 46 42.057 42.057 40.951 1.106 18484 1055 1 3 . 1 1 46 46 PHE H H 46 6.912 6.912 7.882 -0.970 18484 1056 1 3 . 1 1 47 47 GLU N N 47 120.217 120.217 118.772 1.445 18484 1057 1 3 . 1 1 47 47 GLU HA H 47 4.600 4.600 4.500 0.100 18484 1058 1 3 . 1 1 47 47 GLU CA C 47 54.771 54.771 56.050 -1.279 18484 1059 1 3 . 1 1 47 47 GLU CB C 47 32.338 32.338 33.295 -0.957 18484 1060 1 3 . 1 1 47 47 GLU H H 47 8.271 8.271 8.742 -0.471 18484 1061 1 3 . 1 1 48 48 VAL N N 48 121.331 121.331 123.495 -2.164 18484 1062 1 3 . 1 1 48 48 VAL HA H 48 4.734 4.734 4.182 0.552 18484 1063 1 3 . 1 1 48 48 VAL CA C 48 61.472 61.472 62.807 -1.335 18484 1064 1 3 . 1 1 48 48 VAL CB C 48 32.699 32.699 32.646 0.053 18484 1065 1 3 . 1 1 48 48 VAL H H 48 8.625 8.625 8.509 0.116 18484 1066 1 3 . 1 1 49 49 ILE N N 49 132.310 132.310 124.847 7.463 18484 1067 1 3 . 1 1 49 49 ILE HA H 49 4.205 4.205 4.500 -0.295 18484 1068 1 3 . 1 1 49 49 ILE CA C 49 58.886 58.886 58.727 0.159 18484 1069 1 3 . 1 1 49 49 ILE CB C 49 39.037 39.037 40.980 -1.943 18484 1070 1 3 . 1 1 49 49 ILE H H 49 9.505 9.505 8.769 0.736 18484 1071 1 3 . 1 1 50 50 LYS N N 50 125.764 125.764 123.398 2.366 18484 1072 1 3 . 1 1 50 50 LYS HA H 50 5.284 5.284 4.715 0.569 18484 1073 1 3 . 1 1 50 50 LYS CA C 50 54.802 54.802 54.980 -0.178 18484 1074 1 3 . 1 1 50 50 LYS CB C 50 34.186 34.186 32.539 1.647 18484 1075 1 3 . 1 1 50 50 LYS H H 50 8.507 8.507 8.384 0.123 18484 1076 1 3 . 1 1 51 51 LYS N N 51 124.935 124.935 126.442 -1.507 18484 1077 1 3 . 1 1 51 51 LYS HA H 51 4.608 4.608 4.623 -0.015 18484 1078 1 3 . 1 1 51 51 LYS CA C 51 54.006 54.006 55.441 -1.435 18484 1079 1 3 . 1 1 51 51 LYS CB C 51 34.756 34.756 35.289 -0.533 18484 1080 1 3 . 1 1 51 51 LYS H H 51 9.066 9.066 8.033 1.033 18484 1081 1 3 . 1 1 52 52 GLU N N 52 124.186 124.186 122.300 1.886 18484 1082 1 3 . 1 1 52 52 GLU HA H 52 4.621 4.621 5.363 -0.742 18484 1083 1 3 . 1 1 52 52 GLU CA C 52 55.931 55.931 54.848 1.083 18484 1084 1 3 . 1 1 52 52 GLU CB C 52 31.036 31.036 31.108 -0.072 18484 1085 1 3 . 1 1 52 52 GLU H H 52 8.777 8.777 8.638 0.139 18484 1086 1 3 . 1 1 53 53 ASN N N 53 121.687 121.687 122.753 -1.066 18484 1087 1 3 . 1 1 53 53 ASN HA H 53 5.240 5.240 5.176 0.064 18484 1088 1 3 . 1 1 53 53 ASN CA C 53 49.409 49.409 49.516 -0.107 18484 1089 1 3 . 1 1 53 53 ASN CB C 53 40.473 40.473 40.763 -0.290 18484 1090 1 3 . 1 1 53 53 ASN H H 53 8.890 8.890 8.399 0.491 18484 1091 1 3 . 1 1 54 54 PRO HA H 54 4.587 4.587 4.744 -0.157 18484 1092 1 3 . 1 1 54 54 PRO CA C 54 62.650 62.650 64.203 -1.553 18484 1093 1 3 . 1 1 54 54 PRO CB C 54 32.219 32.219 32.096 0.124 18484 1094 1 3 . 1 1 55 55 ASN N N 55 115.629 115.629 116.534 -0.905 18484 1095 1 3 . 1 1 55 55 ASN HA H 55 4.695 4.695 4.506 0.189 18484 1096 1 3 . 1 1 55 55 ASN CA C 55 53.685 53.685 54.342 -0.657 18484 1097 1 3 . 1 1 55 55 ASN CB C 55 39.137 39.137 38.494 0.643 18484 1098 1 3 . 1 1 55 55 ASN H H 55 8.422 8.422 8.420 0.002 18484 1099 1 3 . 1 1 56 56 LEU N N 56 121.277 121.277 119.279 1.998 18484 1100 1 3 . 1 1 56 56 LEU HA H 56 4.686 4.686 4.341 0.345 18484 1101 1 3 . 1 1 56 56 LEU CA C 56 52.145 52.145 54.221 -2.076 18484 1102 1 3 . 1 1 56 56 LEU CB C 56 42.456 42.456 41.213 1.243 18484 1103 1 3 . 1 1 56 56 LEU H H 56 7.278 7.278 7.462 -0.184 18484 1104 1 3 . 1 1 57 57 PRO HA H 57 4.298 4.298 4.419 -0.121 18484 1105 1 3 . 1 1 57 57 PRO CA C 57 61.332 61.332 62.285 -0.953 18484 1106 1 3 . 1 1 57 57 PRO CB C 57 32.232 32.232 29.655 2.577 18484 1107 1 3 . 1 1 58 58 ALA N N 58 123.896 123.896 121.806 2.090 18484 1108 1 3 . 1 1 58 58 ALA HA H 58 3.892 3.892 3.998 -0.106 18484 1109 1 3 . 1 1 58 58 ALA CA C 58 53.559 53.559 52.660 0.898 18484 1110 1 3 . 1 1 58 58 ALA CB C 58 19.480 19.480 18.588 0.892 18484 1111 1 3 . 1 1 58 58 ALA H H 58 8.263 8.263 7.676 0.587 18484 1112 1 3 . 1 1 59 59 GLY N N 59 110.843 110.843 109.313 1.530 18484 1113 1 3 . 1 1 59 59 GLY CA C 59 45.339 45.339 45.781 -0.442 18484 1114 1 3 . 1 1 59 59 GLY H H 59 8.755 8.755 8.297 0.458 18484 1115 1 3 . 1 1 60 60 GLN N N 60 121.444 121.444 118.248 3.196 18484 1116 1 3 . 1 1 60 60 GLN HA H 60 4.251 4.251 4.449 -0.198 18484 1117 1 3 . 1 1 60 60 GLN CA C 60 56.080 56.080 54.535 1.545 18484 1118 1 3 . 1 1 60 60 GLN CB C 60 29.876 29.876 31.813 -1.937 18484 1119 1 3 . 1 1 60 60 GLN H H 60 7.877 7.877 8.185 -0.308 18484 1120 1 3 . 1 1 61 61 GLU N N 61 123.364 123.364 120.678 2.686 18484 1121 1 3 . 1 1 61 61 GLU HA H 61 5.241 5.241 4.597 0.644 18484 1122 1 3 . 1 1 61 61 GLU CA C 61 55.012 55.012 56.063 -1.051 18484 1123 1 3 . 1 1 61 61 GLU CB C 61 32.368 32.368 31.764 0.604 18484 1124 1 3 . 1 1 61 61 GLU H H 61 8.419 8.419 8.636 -0.217 18484 1125 1 3 . 1 1 62 62 ASN N N 62 121.499 121.499 122.632 -1.133 18484 1126 1 3 . 1 1 62 62 ASN HA H 62 5.078 5.078 5.011 0.067 18484 1127 1 3 . 1 1 62 62 ASN CA C 62 51.617 51.617 52.750 -1.133 18484 1128 1 3 . 1 1 62 62 ASN CB C 62 40.999 40.999 40.370 0.629 18484 1129 1 3 . 1 1 62 62 ASN H H 62 9.164 9.164 8.356 0.808 18484 1130 1 3 . 1 1 63 63 ILE N N 63 125.976 125.976 123.236 2.740 18484 1131 1 3 . 1 1 63 63 ILE HA H 63 3.979 3.979 4.133 -0.154 18484 1132 1 3 . 1 1 63 63 ILE CA C 63 61.650 61.650 61.692 -0.042 18484 1133 1 3 . 1 1 63 63 ILE CB C 63 37.404 37.404 38.545 -1.141 18484 1134 1 3 . 1 1 63 63 ILE H H 63 9.032 9.032 8.714 0.318 18484 1135 1 3 . 1 1 64 64 ILE N N 64 130.073 130.073 127.155 2.918 18484 1136 1 3 . 1 1 64 64 ILE HA H 64 4.139 4.139 4.325 -0.186 18484 1137 1 3 . 1 1 64 64 ILE CA C 64 60.699 60.699 61.216 -0.517 18484 1138 1 3 . 1 1 64 64 ILE CB C 64 38.029 38.029 38.556 -0.527 18484 1139 1 3 . 1 1 64 64 ILE H H 64 8.876 8.876 8.366 0.510 18484 1140 1 3 . 1 1 65 65 THR N N 65 116.771 116.771 116.612 0.159 18484 1141 1 3 . 1 1 65 65 THR HA H 65 4.349 4.349 4.467 -0.118 18484 1142 1 3 . 1 1 65 65 THR CA C 65 60.066 60.066 61.684 -1.618 18484 1143 1 3 . 1 1 65 65 THR CB C 65 71.059 71.059 70.874 0.185 18484 1144 1 3 . 1 1 65 65 THR H H 65 7.699 7.699 7.630 0.069 18484 1145 1 3 . 1 1 66 66 ALA N N 66 130.117 130.117 128.901 1.216 18484 1146 1 3 . 1 1 66 66 ALA HA H 66 3.928 3.928 4.104 -0.176 18484 1147 1 3 . 1 1 66 66 ALA CA C 66 51.617 51.617 52.369 -0.752 18484 1148 1 3 . 1 1 66 66 ALA CB C 66 19.653 19.653 19.496 0.157 18484 1149 1 3 . 1 1 66 66 ALA H H 66 8.579 8.579 8.268 0.311 18484 1150 1 3 . 1 1 67 67 GLY N N 67 107.619 107.619 107.610 0.009 18484 1151 1 3 . 1 1 67 67 GLY CA C 67 43.606 43.606 44.023 -0.417 18484 1152 1 3 . 1 1 67 67 GLY H H 67 8.387 8.387 7.798 0.589 18484 1153 1 3 . 1 1 68 68 VAL N N 68 123.776 123.776 123.725 0.051 18484 1154 1 3 . 1 1 68 68 VAL HA H 68 4.124 4.124 4.140 -0.016 18484 1155 1 3 . 1 1 68 68 VAL CA C 68 60.443 60.443 60.483 -0.040 18484 1156 1 3 . 1 1 68 68 VAL CB C 68 34.972 34.972 36.323 -1.351 18484 1157 1 3 . 1 1 68 68 VAL H H 68 8.966 8.966 8.475 0.491 18484 1158 1 3 . 1 1 69 69 LYS N N 69 125.803 125.803 126.970 -1.167 18484 1159 1 3 . 1 1 69 69 LYS HA H 69 4.448 4.448 4.363 0.085 18484 1160 1 3 . 1 1 69 69 LYS CA C 69 57.012 57.012 57.767 -0.754 18484 1161 1 3 . 1 1 69 69 LYS CB C 69 33.410 33.410 32.318 1.092 18484 1162 1 3 . 1 1 69 69 LYS H H 69 8.799 8.799 8.800 -0.001 18484 1163 1 3 . 1 1 70 70 GLY N N 70 108.188 108.188 112.009 -3.821 18484 1164 1 3 . 1 1 70 70 GLY CA C 70 43.549 43.549 44.225 -0.676 18484 1165 1 3 . 1 1 70 70 GLY H H 70 8.858 8.858 8.176 0.682 18484 1166 1 3 . 1 1 71 71 GLU N N 71 123.030 123.030 118.669 4.361 18484 1167 1 3 . 1 1 71 71 GLU HA H 71 5.059 5.059 4.631 0.428 18484 1168 1 3 . 1 1 71 71 GLU CA C 71 56.146 56.146 55.632 0.514 18484 1169 1 3 . 1 1 71 71 GLU CB C 71 36.142 36.142 34.240 1.902 18484 1170 1 3 . 1 1 71 71 GLU H H 71 9.538 9.538 8.584 0.954 18484 1171 1 3 . 1 1 72 72 ARG N N 72 126.426 126.426 123.436 2.990 18484 1172 1 3 . 1 1 72 72 ARG HA H 72 5.059 5.059 4.861 0.198 18484 1173 1 3 . 1 1 72 72 ARG CA C 72 54.001 54.001 54.835 -0.834 18484 1174 1 3 . 1 1 72 72 ARG CB C 72 33.500 33.500 33.711 -0.211 18484 1175 1 3 . 1 1 72 72 ARG H H 72 9.191 9.191 8.433 0.758 18484 1176 1 3 . 1 1 73 73 THR N N 73 120.983 120.983 125.557 -4.574 18484 1177 1 3 . 1 1 73 73 THR HA H 73 4.522 4.522 4.489 0.033 18484 1178 1 3 . 1 1 73 73 THR CA C 73 60.953 60.953 64.121 -3.168 18484 1179 1 3 . 1 1 73 73 THR CB C 73 68.412 68.412 69.389 -0.977 18484 1180 1 3 . 1 1 73 73 THR H H 73 9.249 9.249 8.648 0.601 18484 1181 1 3 . 1 1 74 74 HIS N N 74 125.685 125.685 126.144 -0.459 18484 1182 1 3 . 1 1 74 74 HIS HA H 74 5.153 5.153 4.496 0.657 18484 1183 1 3 . 1 1 74 74 HIS CA C 74 54.487 54.487 55.410 -0.923 18484 1184 1 3 . 1 1 74 74 HIS CB C 74 32.997 32.997 31.329 1.668 18484 1185 1 3 . 1 1 74 74 HIS H H 74 9.056 9.056 8.865 0.191 18484 1186 1 3 . 1 1 75 75 TYR N N 75 123.688 123.688 125.234 -1.546 18484 1187 1 3 . 1 1 75 75 TYR HA H 75 4.868 4.868 4.865 0.003 18484 1188 1 3 . 1 1 75 75 TYR CA C 75 56.499 56.499 54.641 1.858 18484 1189 1 3 . 1 1 75 75 TYR CB C 75 38.425 38.425 36.369 2.056 18484 1190 1 3 . 1 1 75 75 TYR H H 75 8.945 8.945 7.677 1.268 18484 1191 1 3 . 1 1 76 76 ILE N N 76 125.717 125.717 124.536 1.181 18484 1192 1 3 . 1 1 76 76 ILE HA H 76 4.800 4.800 4.196 0.604 18484 1193 1 3 . 1 1 76 76 ILE CA C 76 58.787 58.787 60.956 -2.169 18484 1194 1 3 . 1 1 76 76 ILE CB C 76 42.034 42.034 39.654 2.381 18484 1195 1 3 . 1 1 76 76 ILE H H 76 9.079 9.079 8.255 0.824 18484 1196 1 3 . 1 1 77 77 SER N N 77 120.473 120.473 117.388 3.085 18484 1197 1 3 . 1 1 77 77 SER HA H 77 5.183 5.183 4.765 0.418 18484 1198 1 3 . 1 1 77 77 SER CA C 77 55.930 55.930 57.718 -1.788 18484 1199 1 3 . 1 1 77 77 SER CB C 77 63.118 63.118 63.998 -0.880 18484 1200 1 3 . 1 1 77 77 SER H H 77 9.047 9.047 8.154 0.893 18484 1201 1 3 . 1 1 78 78 VAL N N 78 128.488 128.488 127.922 0.566 18484 1202 1 3 . 1 1 78 78 VAL HA H 78 4.729 4.729 4.044 0.685 18484 1203 1 3 . 1 1 78 78 VAL CA C 78 60.517 60.517 63.074 -2.557 18484 1204 1 3 . 1 1 78 78 VAL CB C 78 33.685 33.685 31.656 2.029 18484 1205 1 3 . 1 1 78 78 VAL H H 78 9.301 9.301 8.175 1.126 18484 1206 1 3 . 1 1 79 79 LEU N N 79 129.698 129.698 131.649 -1.951 18484 1207 1 3 . 1 1 79 79 LEU HA H 79 4.783 4.783 4.728 0.055 18484 1208 1 3 . 1 1 79 79 LEU CA C 79 53.873 53.873 53.618 0.255 18484 1209 1 3 . 1 1 79 79 LEU CB C 79 45.605 45.605 43.134 2.471 18484 1210 1 3 . 1 1 79 79 LEU H H 79 8.553 8.553 8.111 0.442 18484 1211 1 3 . 1 1 80 80 THR N N 80 123.276 123.276 117.541 5.735 18484 1212 1 3 . 1 1 80 80 THR HA H 80 5.096 5.096 4.849 0.247 18484 1213 1 3 . 1 1 80 80 THR CA C 80 60.231 60.231 61.312 -1.081 18484 1214 1 3 . 1 1 80 80 THR CB C 80 68.171 68.171 69.698 -1.527 18484 1215 1 3 . 1 1 80 80 THR H H 80 8.754 8.754 8.629 0.125 18484 1216 1 3 . 1 1 81 81 GLU N N 81 125.405 125.405 127.620 -2.215 18484 1217 1 3 . 1 1 81 81 GLU HA H 81 4.530 4.530 4.455 0.075 18484 1218 1 3 . 1 1 81 81 GLU CA C 81 55.372 55.372 55.644 -0.272 18484 1219 1 3 . 1 1 81 81 GLU CB C 81 32.374 32.374 30.443 1.931 18484 1220 1 3 . 1 1 81 81 GLU H H 81 8.615 8.615 8.317 0.298 18484 1221 1 3 . 1 1 82 82 ASN N N 82 124.375 124.375 122.192 2.183 18484 1222 1 3 . 1 1 82 82 ASN HA H 82 4.360 4.360 4.488 -0.128 18484 1223 1 3 . 1 1 82 82 ASN CA C 82 54.328 54.328 53.631 0.697 18484 1224 1 3 . 1 1 82 82 ASN CB C 82 37.432 37.432 37.574 -0.142 18484 1225 1 3 . 1 1 82 82 ASN H H 82 9.559 9.559 8.909 0.650 18484 1226 1 3 . 1 1 83 83 GLY N N 83 103.733 103.733 105.308 -1.575 18484 1227 1 3 . 1 1 83 83 GLY CA C 83 45.359 45.359 44.724 0.635 18484 1228 1 3 . 1 1 83 83 GLY H H 83 8.626 8.626 8.079 0.547 18484 1229 1 3 . 1 1 84 84 LYS N N 84 121.407 121.407 120.314 1.093 18484 1230 1 3 . 1 1 84 84 LYS HA H 84 4.698 4.698 4.552 0.146 18484 1231 1 3 . 1 1 84 84 LYS CA C 84 55.182 55.182 55.737 -0.555 18484 1232 1 3 . 1 1 84 84 LYS CB C 84 34.807 34.807 34.768 0.039 18484 1233 1 3 . 1 1 84 84 LYS H H 84 7.813 7.813 7.936 -0.123 18484 1234 1 3 . 1 1 85 85 THR N N 85 121.799 121.799 123.620 -1.821 18484 1235 1 3 . 1 1 85 85 THR HA H 85 5.194 5.194 4.732 0.462 18484 1236 1 3 . 1 1 85 85 THR CA C 85 60.472 60.472 62.015 -1.543 18484 1237 1 3 . 1 1 85 85 THR CB C 85 69.134 69.134 69.417 -0.283 18484 1238 1 3 . 1 1 85 85 THR H H 85 8.796 8.796 8.489 0.307 18484 1239 1 3 . 1 1 86 86 THR N N 86 122.071 122.071 122.210 -0.139 18484 1240 1 3 . 1 1 86 86 THR HA H 86 4.535 4.535 4.540 -0.005 18484 1241 1 3 . 1 1 86 86 THR CA C 86 59.990 59.990 61.229 -1.239 18484 1242 1 3 . 1 1 86 86 THR CB C 86 69.856 69.856 70.285 -0.429 18484 1243 1 3 . 1 1 86 86 THR H H 86 9.134 9.134 8.253 0.881 18484 1244 1 3 . 1 1 87 87 GLU N N 87 126.429 126.429 124.504 1.925 18484 1245 1 3 . 1 1 87 87 GLU HA H 87 5.030 5.030 4.610 0.420 18484 1246 1 3 . 1 1 87 87 GLU CA C 87 55.029 55.029 55.962 -0.933 18484 1247 1 3 . 1 1 87 87 GLU CB C 87 31.746 31.746 30.270 1.476 18484 1248 1 3 . 1 1 87 87 GLU H H 87 8.905 8.905 8.652 0.253 18484 1249 1 3 . 1 1 88 88 THR N N 88 120.353 120.353 122.125 -1.772 18484 1250 1 3 . 1 1 88 88 THR HA H 88 4.450 4.450 4.613 -0.163 18484 1251 1 3 . 1 1 88 88 THR CA C 88 60.472 60.472 61.383 -0.911 18484 1252 1 3 . 1 1 88 88 THR CB C 88 70.646 70.646 69.818 0.828 18484 1253 1 3 . 1 1 88 88 THR H H 88 9.016 9.016 8.236 0.780 18484 1254 1 3 . 1 1 89 89 VAL N N 89 128.484 128.484 124.689 3.795 18484 1255 1 3 . 1 1 89 89 VAL HA H 89 3.978 3.978 3.924 0.054 18484 1256 1 3 . 1 1 89 89 VAL CA C 89 62.471 62.471 63.583 -1.112 18484 1257 1 3 . 1 1 89 89 VAL CB C 89 31.216 31.216 31.679 -0.463 18484 1258 1 3 . 1 1 89 89 VAL H H 89 9.054 9.054 8.743 0.311 18484 1259 1 3 . 1 1 90 90 LEU N N 90 130.587 130.587 129.452 1.135 18484 1260 1 3 . 1 1 90 90 LEU HA H 90 4.325 4.325 4.775 -0.450 18484 1261 1 3 . 1 1 90 90 LEU CA C 90 56.129 56.129 55.395 0.734 18484 1262 1 3 . 1 1 90 90 LEU CB C 90 42.958 42.958 43.570 -0.612 18484 1263 1 3 . 1 1 90 90 LEU H H 90 9.426 9.426 8.523 0.903 18484 1264 1 3 . 1 1 91 91 ASP N N 91 114.928 114.928 116.292 -1.364 18484 1265 1 3 . 1 1 91 91 ASP HA H 91 4.846 4.846 4.700 0.146 18484 1266 1 3 . 1 1 91 91 ASP CA C 91 53.688 53.688 53.975 -0.287 18484 1267 1 3 . 1 1 91 91 ASP CB C 91 43.521 43.521 44.069 -0.548 18484 1268 1 3 . 1 1 91 91 ASP H H 91 7.924 7.924 7.953 -0.029 18484 1269 1 3 . 1 1 92 92 SER N N 92 117.203 117.203 116.832 0.371 18484 1270 1 3 . 1 1 92 92 SER HA H 92 5.519 5.519 2.727 2.792 18484 1271 1 3 . 1 1 92 92 SER CA C 92 56.622 56.622 56.617 0.005 18484 1272 1 3 . 1 1 92 92 SER CB C 92 63.359 63.359 65.321 -1.962 18484 1273 1 3 . 1 1 92 92 SER H H 92 8.376 8.376 7.969 0.407 18484 1274 1 3 . 1 1 93 93 GLN N N 93 122.058 122.058 119.583 2.475 18484 1275 1 3 . 1 1 93 93 GLN HA H 93 4.731 4.731 4.644 0.087 18484 1276 1 3 . 1 1 93 93 GLN CA C 93 54.781 54.781 53.803 0.978 18484 1277 1 3 . 1 1 93 93 GLN CB C 93 33.312 33.312 31.465 1.847 18484 1278 1 3 . 1 1 93 93 GLN H H 93 9.005 9.005 8.230 0.775 18484 1279 1 3 . 1 1 94 94 VAL N N 94 125.231 125.231 121.421 3.810 18484 1280 1 3 . 1 1 94 94 VAL HA H 94 4.233 4.233 4.163 0.070 18484 1281 1 3 . 1 1 94 94 VAL CA C 94 63.282 63.282 62.246 1.036 18484 1282 1 3 . 1 1 94 94 VAL CB C 94 30.906 30.906 31.938 -1.032 18484 1283 1 3 . 1 1 94 94 VAL H H 94 9.085 9.085 8.551 0.534 18484 1284 1 3 . 1 1 95 95 THR N N 95 121.170 121.170 121.792 -0.622 18484 1285 1 3 . 1 1 95 95 THR HA H 95 4.384 4.384 4.567 -0.183 18484 1286 1 3 . 1 1 95 95 THR CA C 95 60.953 60.953 61.304 -0.351 18484 1287 1 3 . 1 1 95 95 THR CB C 95 68.653 68.653 67.992 0.661 18484 1288 1 3 . 1 1 95 95 THR H H 95 8.521 8.521 8.234 0.287 18484 1289 1 3 . 1 1 96 96 LYS N N 96 123.236 123.236 122.928 0.308 18484 1290 1 3 . 1 1 96 96 LYS HA H 96 4.418 4.418 4.074 0.344 18484 1291 1 3 . 1 1 96 96 LYS CA C 96 56.418 56.418 56.521 -0.103 18484 1292 1 3 . 1 1 96 96 LYS CB C 96 35.690 35.690 32.050 3.640 18484 1293 1 3 . 1 1 96 96 LYS H H 96 7.912 7.912 8.277 -0.365 18484 1294 1 3 . 1 1 97 97 GLU N N 97 125.835 125.835 118.342 7.493 18484 1295 1 3 . 1 1 97 97 GLU HA H 97 4.151 4.151 4.054 0.097 18484 1296 1 3 . 1 1 97 97 GLU CA C 97 56.412 56.412 57.153 -0.741 18484 1297 1 3 . 1 1 97 97 GLU CB C 97 29.948 29.948 29.750 0.198 18484 1298 1 3 . 1 1 97 97 GLU H H 97 8.665 8.665 8.296 0.369 18484 1299 1 3 . 1 1 98 98 VAL N N 98 122.204 122.204 123.623 -1.419 18484 1300 1 3 . 1 1 98 98 VAL HA H 98 3.915 3.915 4.178 -0.263 18484 1301 1 3 . 1 1 98 98 VAL CA C 98 60.208 60.208 62.445 -2.237 18484 1302 1 3 . 1 1 98 98 VAL CB C 98 33.692 33.692 32.626 1.066 18484 1303 1 3 . 1 1 98 98 VAL H H 98 8.339 8.339 8.153 0.186 18484 1304 1 3 . 1 1 99 99 ILE N N 99 127.874 127.874 130.018 -2.144 18484 1305 1 3 . 1 1 99 99 ILE HA H 99 4.197 4.197 3.982 0.215 18484 1306 1 3 . 1 1 99 99 ILE CA C 99 60.606 60.606 60.328 0.278 18484 1307 1 3 . 1 1 99 99 ILE CB C 99 39.186 39.186 36.240 2.946 18484 1308 1 3 . 1 1 99 99 ILE H H 99 8.608 8.608 8.185 0.423 18484 1309 1 3 . 1 1 100 100 ASN N N 100 123.343 123.343 127.541 -4.198 18484 1310 1 3 . 1 1 100 100 ASN HA H 100 4.914 4.914 4.893 0.021 18484 1311 1 3 . 1 1 100 100 ASN CA C 100 53.704 53.704 52.050 1.653 18484 1312 1 3 . 1 1 100 100 ASN CB C 100 37.731 37.731 39.353 -1.622 18484 1313 1 3 . 1 1 100 100 ASN H H 100 8.446 8.446 8.517 -0.071 18484 1314 1 3 . 1 1 101 101 GLN N N 101 120.980 120.980 122.359 -1.379 18484 1315 1 3 . 1 1 101 101 GLN HA H 101 4.325 4.325 4.511 -0.186 18484 1316 1 3 . 1 1 101 101 GLN CA C 101 54.659 54.659 56.162 -1.503 18484 1317 1 3 . 1 1 101 101 GLN CB C 101 31.616 31.616 29.291 2.325 18484 1318 1 3 . 1 1 101 101 GLN H H 101 8.254 8.254 8.703 -0.449 18484 1319 1 3 . 1 1 102 102 VAL N N 102 127.057 127.057 122.247 4.810 18484 1320 1 3 . 1 1 102 102 VAL HA H 102 4.965 4.965 4.462 0.503 18484 1321 1 3 . 1 1 102 102 VAL CA C 102 60.264 60.264 60.264 -0.000 18484 1322 1 3 . 1 1 102 102 VAL CB C 102 33.626 33.626 32.350 1.276 18484 1323 1 3 . 1 1 102 102 VAL H H 102 8.742 8.742 8.177 0.565 18484 1324 1 3 . 1 1 103 103 VAL N N 103 127.794 127.794 127.116 0.678 18484 1325 1 3 . 1 1 103 103 VAL HA H 103 4.812 4.812 4.621 0.191 18484 1326 1 3 . 1 1 103 103 VAL CA C 103 58.547 58.547 59.896 -1.349 18484 1327 1 3 . 1 1 103 103 VAL CB C 103 35.718 35.718 33.669 2.049 18484 1328 1 3 . 1 1 103 103 VAL H H 103 9.160 9.160 7.764 1.396 18484 1329 1 3 . 1 1 104 104 GLU N N 104 125.160 125.160 129.532 -4.372 18484 1330 1 3 . 1 1 104 104 GLU HA H 104 5.513 5.513 4.616 0.897 18484 1331 1 3 . 1 1 104 104 GLU CA C 104 53.721 53.721 55.641 -1.920 18484 1332 1 3 . 1 1 104 104 GLU CB C 104 32.383 32.383 29.859 2.524 18484 1333 1 3 . 1 1 104 104 GLU H H 104 9.085 9.085 8.145 0.940 18484 1334 1 3 . 1 1 105 105 VAL N N 105 117.602 117.602 126.466 -8.864 18484 1335 1 3 . 1 1 105 105 VAL HA H 105 5.241 5.241 4.731 0.509 18484 1336 1 3 . 1 1 105 105 VAL CA C 105 57.055 57.055 59.527 -2.472 18484 1337 1 3 . 1 1 105 105 VAL CB C 105 35.204 35.204 34.728 0.476 18484 1338 1 3 . 1 1 105 105 VAL H H 105 8.536 8.536 8.709 -0.173 18484 1339 1 3 . 1 1 106 106 GLY N N 106 111.023 111.023 115.940 -4.917 18484 1340 1 3 . 1 1 106 106 GLY CA C 106 46.117 46.117 44.834 1.283 18484 1341 1 3 . 1 1 106 106 GLY H H 106 8.635 8.635 8.108 0.527 18484 1342 1 3 . 1 1 107 107 ALA N N 107 127.369 127.369 126.411 0.958 18484 1343 1 3 . 1 1 107 107 ALA HA H 107 4.515 4.515 4.845 -0.330 18484 1344 1 3 . 1 1 107 107 ALA CA C 107 50.477 50.477 48.853 1.624 18484 1345 1 3 . 1 1 107 107 ALA CB C 107 19.924 19.924 20.010 -0.086 18484 1346 1 3 . 1 1 107 107 ALA H H 107 7.929 7.929 7.673 0.256 18484 1347 1 3 . 1 1 108 108 PRO HA H 108 4.494 4.494 4.530 -0.036 18484 1348 1 3 . 1 1 108 108 PRO CA C 108 61.698 61.698 62.897 -1.199 18484 1349 1 3 . 1 1 108 108 PRO CB C 108 31.900 31.900 32.368 -0.468 18484 1350 1 3 . 1 1 109 109 VAL N N 109 119.821 119.821 114.497 5.324 18484 1351 1 3 . 1 1 109 109 VAL HA H 109 4.092 4.092 4.096 -0.004 18484 1352 1 3 . 1 1 109 109 VAL CA C 109 60.949 60.949 63.647 -2.698 18484 1353 1 3 . 1 1 109 109 VAL CB C 109 32.389 32.389 31.619 0.770 18484 1354 1 3 . 1 1 109 109 VAL H H 109 8.303 8.303 8.011 0.292 18484 1355 1 3 . 1 1 110 110 THR N N 110 118.171 118.171 114.659 3.512 18484 1356 1 3 . 1 1 110 110 THR HA H 110 4.338 4.338 4.201 0.137 18484 1357 1 3 . 1 1 110 110 THR CA C 110 59.028 59.028 64.214 -5.186 18484 1358 1 3 . 1 1 110 110 THR CB C 110 67.676 67.676 68.725 -1.049 18484 1359 1 3 . 1 1 110 110 THR H H 110 8.209 8.209 8.246 -0.037 18484 1360 1 4 . 1 1 2 2 GLY N N 2 110.403 110.403 109.905 0.498 18484 1361 1 4 . 1 1 2 2 GLY H H 2 8.459 8.459 8.709 -0.250 18484 1362 1 4 . 1 1 10 10 SER HA H 10 4.435 4.435 4.059 0.376 18484 1363 1 4 . 1 1 11 11 SER CA C 11 57.649 57.649 57.941 -0.292 18484 1364 1 4 . 1 1 11 11 SER CB C 11 62.672 62.672 64.188 -1.516 18484 1365 1 4 . 1 1 12 12 GLY N N 12 110.471 110.471 109.414 1.057 18484 1366 1 4 . 1 1 12 12 GLY CA C 12 45.312 45.312 44.570 0.742 18484 1367 1 4 . 1 1 12 12 GLY H H 12 8.365 8.365 8.583 -0.218 18484 1368 1 4 . 1 1 13 13 LEU N N 13 121.432 121.432 121.328 0.104 18484 1369 1 4 . 1 1 13 13 LEU HA H 13 4.327 4.327 4.475 -0.148 18484 1370 1 4 . 1 1 13 13 LEU CA C 13 55.573 55.573 55.325 0.248 18484 1371 1 4 . 1 1 13 13 LEU CB C 13 42.428 42.428 42.567 -0.139 18484 1372 1 4 . 1 1 13 13 LEU H H 13 8.024 8.024 8.077 -0.053 18484 1373 1 4 . 1 1 14 14 VAL N N 14 122.309 122.309 119.592 2.717 18484 1374 1 4 . 1 1 14 14 VAL H H 14 8.062 8.062 7.885 0.177 18484 1375 1 4 . 1 1 16 16 ARG N N 16 121.951 121.951 123.107 -1.156 18484 1376 1 4 . 1 1 16 16 ARG HA H 16 4.312 4.312 3.935 0.377 18484 1377 1 4 . 1 1 16 16 ARG CA C 16 56.102 56.102 56.701 -0.599 18484 1378 1 4 . 1 1 16 16 ARG CB C 16 30.891 30.891 28.779 2.111 18484 1379 1 4 . 1 1 16 16 ARG H H 16 8.465 8.465 8.369 0.096 18484 1380 1 4 . 1 1 20 20 MET HA H 20 4.435 4.435 4.489 -0.054 18484 1381 1 4 . 1 1 20 20 MET CA C 20 55.500 55.500 54.957 0.543 18484 1382 1 4 . 1 1 20 20 MET CB C 20 32.070 32.070 34.056 -1.986 18484 1383 1 4 . 1 1 21 21 SER N N 21 117.005 117.005 118.442 -1.437 18484 1384 1 4 . 1 1 21 21 SER HA H 21 4.435 4.435 4.404 0.031 18484 1385 1 4 . 1 1 21 21 SER CA C 21 57.066 57.066 58.789 -1.724 18484 1386 1 4 . 1 1 21 21 SER CB C 21 62.566 62.566 63.758 -1.192 18484 1387 1 4 . 1 1 21 21 SER H H 21 8.332 8.332 8.388 -0.056 18484 1388 1 4 . 1 1 22 22 LEU N N 22 124.083 124.083 123.113 0.970 18484 1389 1 4 . 1 1 22 22 LEU HA H 22 4.348 4.348 4.243 0.105 18484 1390 1 4 . 1 1 22 22 LEU CA C 22 55.471 55.471 55.981 -0.510 18484 1391 1 4 . 1 1 22 22 LEU CB C 22 42.322 42.322 42.515 -0.193 18484 1392 1 4 . 1 1 22 22 LEU H H 22 8.340 8.340 7.811 0.529 18484 1393 1 4 . 1 1 23 23 ASP N N 23 120.867 120.867 118.393 2.474 18484 1394 1 4 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.730 -0.164 18484 1395 1 4 . 1 1 23 23 ASP CA C 23 54.687 54.687 53.385 1.302 18484 1396 1 4 . 1 1 23 23 ASP CB C 23 41.553 41.553 41.769 -0.216 18484 1397 1 4 . 1 1 23 23 ASP H H 23 8.312 8.312 8.264 0.048 18484 1398 1 4 . 1 1 24 24 GLU N N 24 121.470 121.470 120.223 1.247 18484 1399 1 4 . 1 1 24 24 GLU HA H 24 4.566 4.566 4.200 0.366 18484 1400 1 4 . 1 1 24 24 GLU CA C 24 56.921 56.921 56.784 0.137 18484 1401 1 4 . 1 1 24 24 GLU CB C 24 30.015 30.015 29.680 0.334 18484 1402 1 4 . 1 1 24 24 GLU H H 24 8.411 8.411 8.358 0.053 18484 1403 1 4 . 1 1 25 25 ASN N N 25 118.582 118.582 120.628 -2.046 18484 1404 1 4 . 1 1 25 25 ASN HA H 25 4.707 4.707 4.900 -0.193 18484 1405 1 4 . 1 1 25 25 ASN CA C 25 53.593 53.593 52.239 1.354 18484 1406 1 4 . 1 1 25 25 ASN CB C 25 39.188 39.188 39.932 -0.744 18484 1407 1 4 . 1 1 25 25 ASN H H 25 8.436 8.436 8.302 0.134 18484 1408 1 4 . 1 1 26 26 GLU N N 26 121.262 121.262 118.801 2.461 18484 1409 1 4 . 1 1 26 26 GLU HA H 26 4.247 4.247 4.451 -0.204 18484 1410 1 4 . 1 1 26 26 GLU CA C 26 56.310 56.310 55.636 0.674 18484 1411 1 4 . 1 1 26 26 GLU CB C 26 30.342 30.342 30.519 -0.177 18484 1412 1 4 . 1 1 26 26 GLU H H 26 8.196 8.196 8.272 -0.076 18484 1413 1 4 . 1 1 27 27 VAL N N 27 121.381 121.381 121.102 0.279 18484 1414 1 4 . 1 1 27 27 VAL HA H 27 4.036 4.036 4.118 -0.082 18484 1415 1 4 . 1 1 27 27 VAL CA C 27 62.396 62.396 63.358 -0.962 18484 1416 1 4 . 1 1 27 27 VAL CB C 27 32.770 32.770 33.584 -0.814 18484 1417 1 4 . 1 1 27 27 VAL H H 27 8.092 8.092 8.604 -0.512 18484 1418 1 4 . 1 1 28 28 ALA N N 28 127.549 127.549 128.926 -1.377 18484 1419 1 4 . 1 1 28 28 ALA HA H 28 4.300 4.300 4.292 0.008 18484 1420 1 4 . 1 1 28 28 ALA CA C 28 52.388 52.388 52.857 -0.469 18484 1421 1 4 . 1 1 28 28 ALA CB C 28 20.383 20.383 18.754 1.629 18484 1422 1 4 . 1 1 28 28 ALA H H 28 8.280 8.280 8.565 -0.285 18484 1423 1 4 . 1 1 29 29 ALA N N 29 122.963 122.963 120.531 2.432 18484 1424 1 4 . 1 1 29 29 ALA HA H 29 4.257 4.257 4.147 0.110 18484 1425 1 4 . 1 1 29 29 ALA CA C 29 52.737 52.737 52.372 0.365 18484 1426 1 4 . 1 1 29 29 ALA CB C 29 20.585 20.585 18.712 1.873 18484 1427 1 4 . 1 1 29 29 ALA H H 29 8.182 8.182 8.066 0.116 18484 1428 1 4 . 1 1 30 30 ASN N N 30 117.863 117.863 116.187 1.676 18484 1429 1 4 . 1 1 30 30 ASN HA H 30 4.697 4.697 4.775 -0.078 18484 1430 1 4 . 1 1 30 30 ASN CA C 30 53.107 53.107 52.562 0.545 18484 1431 1 4 . 1 1 30 30 ASN CB C 30 38.876 38.876 39.332 -0.456 18484 1432 1 4 . 1 1 30 30 ASN H H 30 8.323 8.323 8.433 -0.110 18484 1433 1 4 . 1 1 31 31 VAL N N 31 120.074 120.074 118.920 1.154 18484 1434 1 4 . 1 1 31 31 VAL HA H 31 4.131 4.131 4.510 -0.379 18484 1435 1 4 . 1 1 31 31 VAL CA C 31 60.983 60.983 61.362 -0.379 18484 1436 1 4 . 1 1 31 31 VAL CB C 31 32.827 32.827 34.056 -1.229 18484 1437 1 4 . 1 1 31 31 VAL H H 31 8.041 8.041 7.959 0.082 18484 1438 1 4 . 1 1 32 32 GLU N N 32 124.378 124.378 119.815 4.563 18484 1439 1 4 . 1 1 32 32 GLU HA H 32 4.339 4.339 4.618 -0.279 18484 1440 1 4 . 1 1 32 32 GLU CA C 32 56.728 56.728 56.054 0.674 18484 1441 1 4 . 1 1 32 32 GLU CB C 32 30.439 30.439 30.847 -0.408 18484 1442 1 4 . 1 1 32 32 GLU H H 32 8.487 8.487 8.800 -0.313 18484 1443 1 4 . 1 1 33 33 THR N N 33 116.772 116.772 113.902 2.870 18484 1444 1 4 . 1 1 33 33 THR HA H 33 4.312 4.312 4.475 -0.163 18484 1445 1 4 . 1 1 33 33 THR CA C 33 60.472 60.472 62.622 -2.150 18484 1446 1 4 . 1 1 33 33 THR CB C 33 68.412 68.412 70.236 -1.824 18484 1447 1 4 . 1 1 33 33 THR H H 33 8.224 8.224 7.973 0.251 18484 1448 1 4 . 1 1 34 34 ARG N N 34 124.955 124.955 121.483 3.472 18484 1449 1 4 . 1 1 34 34 ARG HA H 34 4.732 4.732 4.556 0.175 18484 1450 1 4 . 1 1 34 34 ARG CA C 34 53.635 53.635 53.746 -0.111 18484 1451 1 4 . 1 1 34 34 ARG CB C 34 30.581 30.581 31.835 -1.254 18484 1452 1 4 . 1 1 34 34 ARG H H 34 8.438 8.438 7.719 0.719 18484 1453 1 4 . 1 1 35 35 PRO HA H 35 4.667 4.667 4.498 0.169 18484 1454 1 4 . 1 1 35 35 PRO CA C 35 61.995 61.995 62.877 -0.882 18484 1455 1 4 . 1 1 35 35 PRO CB C 35 32.459 32.459 32.355 0.104 18484 1456 1 4 . 1 1 36 36 GLU N N 36 121.398 121.398 118.435 2.963 18484 1457 1 4 . 1 1 36 36 GLU HA H 36 4.509 4.509 4.458 0.051 18484 1458 1 4 . 1 1 36 36 GLU CA C 36 55.563 55.563 55.461 0.102 18484 1459 1 4 . 1 1 36 36 GLU CB C 36 31.628 31.628 30.561 1.067 18484 1460 1 4 . 1 1 36 36 GLU H H 36 8.663 8.663 8.521 0.142 18484 1461 1 4 . 1 1 37 37 LEU N N 37 125.233 125.233 120.211 5.022 18484 1462 1 4 . 1 1 37 37 LEU HA H 37 5.240 5.240 4.577 0.663 18484 1463 1 4 . 1 1 37 37 LEU CA C 37 54.120 54.120 54.046 0.074 18484 1464 1 4 . 1 1 37 37 LEU CB C 37 42.407 42.407 42.651 -0.244 18484 1465 1 4 . 1 1 37 37 LEU H H 37 8.352 8.352 8.296 0.056 18484 1466 1 4 . 1 1 38 38 ILE N N 38 121.904 121.904 126.794 -4.890 18484 1467 1 4 . 1 1 38 38 ILE HA H 38 4.775 4.775 4.402 0.373 18484 1468 1 4 . 1 1 38 38 ILE CA C 38 58.065 58.065 58.680 -0.615 18484 1469 1 4 . 1 1 38 38 ILE CB C 38 41.790 41.790 41.706 0.084 18484 1470 1 4 . 1 1 38 38 ILE H H 38 9.224 9.224 8.569 0.655 18484 1471 1 4 . 1 1 39 39 THR N N 39 111.692 111.692 113.974 -2.282 18484 1472 1 4 . 1 1 39 39 THR HA H 39 5.443 5.443 4.953 0.490 18484 1473 1 4 . 1 1 39 39 THR CA C 39 57.825 57.825 61.039 -3.214 18484 1474 1 4 . 1 1 39 39 THR CB C 39 70.337 70.337 70.775 -0.438 18484 1475 1 4 . 1 1 39 39 THR H H 39 8.077 8.077 8.203 -0.126 18484 1476 1 4 . 1 1 40 40 ARG N N 40 121.666 121.666 123.329 -1.663 18484 1477 1 4 . 1 1 40 40 ARG HA H 40 4.707 4.707 4.575 0.132 18484 1478 1 4 . 1 1 40 40 ARG CA C 40 55.674 55.674 56.219 -0.545 18484 1479 1 4 . 1 1 40 40 ARG CB C 40 34.932 34.932 33.135 1.797 18484 1480 1 4 . 1 1 40 40 ARG H H 40 8.558 8.558 9.005 -0.447 18484 1481 1 4 . 1 1 41 41 THR N N 41 115.335 115.335 121.763 -6.428 18484 1482 1 4 . 1 1 41 41 THR HA H 41 5.345 5.345 4.853 0.492 18484 1483 1 4 . 1 1 41 41 THR CA C 41 59.028 59.028 61.821 -2.793 18484 1484 1 4 . 1 1 41 41 THR CB C 41 70.332 70.332 69.904 0.428 18484 1485 1 4 . 1 1 41 41 THR H H 41 8.532 8.532 8.703 -0.171 18484 1486 1 4 . 1 1 42 42 GLU N N 42 122.278 122.278 127.828 -5.550 18484 1487 1 4 . 1 1 42 42 GLU HA H 42 4.705 4.705 4.510 0.195 18484 1488 1 4 . 1 1 42 42 GLU CA C 42 54.318 54.318 53.831 0.487 18484 1489 1 4 . 1 1 42 42 GLU CB C 42 33.984 33.984 30.926 3.058 18484 1490 1 4 . 1 1 42 42 GLU H H 42 9.049 9.049 8.202 0.847 18484 1491 1 4 . 1 1 43 43 GLU N N 43 122.782 122.782 122.657 0.125 18484 1492 1 4 . 1 1 43 43 GLU HA H 43 4.659 4.659 4.183 0.476 18484 1493 1 4 . 1 1 43 43 GLU CA C 43 56.074 56.074 56.691 -0.617 18484 1494 1 4 . 1 1 43 43 GLU CB C 43 31.559 31.559 29.248 2.311 18484 1495 1 4 . 1 1 43 43 GLU H H 43 8.722 8.722 8.605 0.117 18484 1496 1 4 . 1 1 44 44 ILE N N 44 123.255 123.255 128.554 -5.299 18484 1497 1 4 . 1 1 44 44 ILE HA H 44 4.557 4.557 4.357 0.200 18484 1498 1 4 . 1 1 44 44 ILE CA C 44 55.622 55.622 58.361 -2.739 18484 1499 1 4 . 1 1 44 44 ILE CB C 44 40.902 40.902 38.317 2.585 18484 1500 1 4 . 1 1 44 44 ILE H H 44 7.740 7.740 7.806 -0.066 18484 1501 1 4 . 1 1 45 45 PRO HA H 45 4.177 4.177 4.513 -0.336 18484 1502 1 4 . 1 1 45 45 PRO CA C 45 61.978 61.978 62.336 -0.358 18484 1503 1 4 . 1 1 45 45 PRO CB C 45 32.314 32.314 32.532 -0.218 18484 1504 1 4 . 1 1 46 46 PHE N N 46 114.670 114.670 118.421 -3.751 18484 1505 1 4 . 1 1 46 46 PHE HA H 46 4.913 4.913 4.776 0.137 18484 1506 1 4 . 1 1 46 46 PHE CA C 46 54.749 54.749 56.299 -1.550 18484 1507 1 4 . 1 1 46 46 PHE CB C 46 42.057 42.057 40.940 1.117 18484 1508 1 4 . 1 1 46 46 PHE H H 46 6.912 6.912 7.820 -0.908 18484 1509 1 4 . 1 1 47 47 GLU N N 47 120.217 120.217 120.034 0.183 18484 1510 1 4 . 1 1 47 47 GLU HA H 47 4.600 4.600 4.458 0.142 18484 1511 1 4 . 1 1 47 47 GLU CA C 47 54.771 54.771 55.330 -0.559 18484 1512 1 4 . 1 1 47 47 GLU CB C 47 32.338 32.338 31.962 0.376 18484 1513 1 4 . 1 1 47 47 GLU H H 47 8.271 8.271 8.612 -0.341 18484 1514 1 4 . 1 1 48 48 VAL N N 48 121.331 121.331 122.921 -1.590 18484 1515 1 4 . 1 1 48 48 VAL HA H 48 4.734 4.734 4.327 0.407 18484 1516 1 4 . 1 1 48 48 VAL CA C 48 61.472 61.472 62.523 -1.051 18484 1517 1 4 . 1 1 48 48 VAL CB C 48 32.699 32.699 32.351 0.348 18484 1518 1 4 . 1 1 48 48 VAL H H 48 8.625 8.625 8.390 0.235 18484 1519 1 4 . 1 1 49 49 ILE N N 49 132.310 132.310 125.331 6.979 18484 1520 1 4 . 1 1 49 49 ILE HA H 49 4.205 4.205 4.429 -0.224 18484 1521 1 4 . 1 1 49 49 ILE CA C 49 58.886 58.886 58.992 -0.106 18484 1522 1 4 . 1 1 49 49 ILE CB C 49 39.037 39.037 40.373 -1.336 18484 1523 1 4 . 1 1 49 49 ILE H H 49 9.505 9.505 8.217 1.288 18484 1524 1 4 . 1 1 50 50 LYS N N 50 125.764 125.764 123.635 2.129 18484 1525 1 4 . 1 1 50 50 LYS HA H 50 5.284 5.284 4.611 0.673 18484 1526 1 4 . 1 1 50 50 LYS CA C 50 54.802 54.802 55.326 -0.524 18484 1527 1 4 . 1 1 50 50 LYS CB C 50 34.186 34.186 33.070 1.116 18484 1528 1 4 . 1 1 50 50 LYS H H 50 8.507 8.507 8.434 0.073 18484 1529 1 4 . 1 1 51 51 LYS N N 51 124.935 124.935 126.176 -1.241 18484 1530 1 4 . 1 1 51 51 LYS HA H 51 4.608 4.608 4.529 0.079 18484 1531 1 4 . 1 1 51 51 LYS CA C 51 54.006 54.006 55.397 -1.391 18484 1532 1 4 . 1 1 51 51 LYS CB C 51 34.756 34.756 35.053 -0.297 18484 1533 1 4 . 1 1 51 51 LYS H H 51 9.066 9.066 8.108 0.958 18484 1534 1 4 . 1 1 52 52 GLU N N 52 124.186 124.186 124.646 -0.460 18484 1535 1 4 . 1 1 52 52 GLU HA H 52 4.621 4.621 4.685 -0.064 18484 1536 1 4 . 1 1 52 52 GLU CA C 52 55.931 55.931 56.263 -0.332 18484 1537 1 4 . 1 1 52 52 GLU CB C 52 31.036 31.036 29.934 1.102 18484 1538 1 4 . 1 1 52 52 GLU H H 52 8.777 8.777 8.695 0.082 18484 1539 1 4 . 1 1 53 53 ASN N N 53 121.687 121.687 125.111 -3.424 18484 1540 1 4 . 1 1 53 53 ASN HA H 53 5.240 5.240 5.099 0.141 18484 1541 1 4 . 1 1 53 53 ASN CA C 53 49.409 49.409 50.141 -0.732 18484 1542 1 4 . 1 1 53 53 ASN CB C 53 40.473 40.473 38.881 1.592 18484 1543 1 4 . 1 1 53 53 ASN H H 53 8.890 8.890 8.294 0.596 18484 1544 1 4 . 1 1 54 54 PRO HA H 54 4.587 4.587 4.432 0.155 18484 1545 1 4 . 1 1 54 54 PRO CA C 54 62.650 62.650 64.310 -1.660 18484 1546 1 4 . 1 1 54 54 PRO CB C 54 32.219 32.219 31.741 0.478 18484 1547 1 4 . 1 1 55 55 ASN N N 55 115.629 115.629 116.098 -0.469 18484 1548 1 4 . 1 1 55 55 ASN HA H 55 4.695 4.695 4.557 0.138 18484 1549 1 4 . 1 1 55 55 ASN CA C 55 53.685 53.685 54.307 -0.622 18484 1550 1 4 . 1 1 55 55 ASN CB C 55 39.137 39.137 38.485 0.652 18484 1551 1 4 . 1 1 55 55 ASN H H 55 8.422 8.422 8.371 0.051 18484 1552 1 4 . 1 1 56 56 LEU N N 56 121.277 121.277 119.426 1.851 18484 1553 1 4 . 1 1 56 56 LEU HA H 56 4.686 4.686 4.559 0.127 18484 1554 1 4 . 1 1 56 56 LEU CA C 56 52.145 52.145 53.180 -1.035 18484 1555 1 4 . 1 1 56 56 LEU CB C 56 42.456 42.456 41.553 0.903 18484 1556 1 4 . 1 1 56 56 LEU H H 56 7.278 7.278 7.343 -0.065 18484 1557 1 4 . 1 1 57 57 PRO HA H 57 4.298 4.298 4.452 -0.154 18484 1558 1 4 . 1 1 57 57 PRO CA C 57 61.332 61.332 62.121 -0.789 18484 1559 1 4 . 1 1 57 57 PRO CB C 57 32.232 32.232 29.533 2.699 18484 1560 1 4 . 1 1 58 58 ALA N N 58 123.896 123.896 120.745 3.151 18484 1561 1 4 . 1 1 58 58 ALA HA H 58 3.892 3.892 3.980 -0.088 18484 1562 1 4 . 1 1 58 58 ALA CA C 58 53.559 53.559 52.715 0.844 18484 1563 1 4 . 1 1 58 58 ALA CB C 58 19.480 19.480 18.726 0.754 18484 1564 1 4 . 1 1 58 58 ALA H H 58 8.263 8.263 7.465 0.798 18484 1565 1 4 . 1 1 59 59 GLY N N 59 110.843 110.843 107.577 3.266 18484 1566 1 4 . 1 1 59 59 GLY CA C 59 45.339 45.339 45.676 -0.337 18484 1567 1 4 . 1 1 59 59 GLY H H 59 8.755 8.755 8.480 0.275 18484 1568 1 4 . 1 1 60 60 GLN N N 60 121.444 121.444 119.336 2.108 18484 1569 1 4 . 1 1 60 60 GLN HA H 60 4.251 4.251 4.345 -0.094 18484 1570 1 4 . 1 1 60 60 GLN CA C 60 56.080 56.080 55.145 0.935 18484 1571 1 4 . 1 1 60 60 GLN CB C 60 29.876 29.876 29.431 0.445 18484 1572 1 4 . 1 1 60 60 GLN H H 60 7.877 7.877 7.791 0.086 18484 1573 1 4 . 1 1 61 61 GLU N N 61 123.364 123.364 128.019 -4.655 18484 1574 1 4 . 1 1 61 61 GLU HA H 61 5.241 5.241 5.102 0.139 18484 1575 1 4 . 1 1 61 61 GLU CA C 61 55.012 55.012 55.220 -0.208 18484 1576 1 4 . 1 1 61 61 GLU CB C 61 32.368 32.368 32.176 0.192 18484 1577 1 4 . 1 1 61 61 GLU H H 61 8.419 8.419 8.661 -0.242 18484 1578 1 4 . 1 1 62 62 ASN N N 62 121.499 121.499 121.814 -0.315 18484 1579 1 4 . 1 1 62 62 ASN HA H 62 5.078 5.078 4.922 0.156 18484 1580 1 4 . 1 1 62 62 ASN CA C 62 51.617 51.617 52.133 -0.515 18484 1581 1 4 . 1 1 62 62 ASN CB C 62 40.999 40.999 40.608 0.391 18484 1582 1 4 . 1 1 62 62 ASN H H 62 9.164 9.164 8.353 0.811 18484 1583 1 4 . 1 1 63 63 ILE N N 63 125.976 125.976 120.334 5.642 18484 1584 1 4 . 1 1 63 63 ILE HA H 63 3.979 3.979 4.679 -0.700 18484 1585 1 4 . 1 1 63 63 ILE CA C 63 61.650 61.650 59.658 1.992 18484 1586 1 4 . 1 1 63 63 ILE CB C 63 37.404 37.404 37.839 -0.435 18484 1587 1 4 . 1 1 63 63 ILE H H 63 9.032 9.032 8.522 0.510 18484 1588 1 4 . 1 1 64 64 ILE N N 64 130.073 130.073 127.713 2.360 18484 1589 1 4 . 1 1 64 64 ILE HA H 64 4.139 4.139 4.003 0.136 18484 1590 1 4 . 1 1 64 64 ILE CA C 64 60.699 60.699 62.300 -1.601 18484 1591 1 4 . 1 1 64 64 ILE CB C 64 38.029 38.029 37.972 0.057 18484 1592 1 4 . 1 1 64 64 ILE H H 64 8.876 8.876 8.871 0.005 18484 1593 1 4 . 1 1 65 65 THR N N 65 116.771 116.771 114.299 2.472 18484 1594 1 4 . 1 1 65 65 THR HA H 65 4.349 4.349 4.410 -0.061 18484 1595 1 4 . 1 1 65 65 THR CA C 65 60.066 60.066 61.814 -1.748 18484 1596 1 4 . 1 1 65 65 THR CB C 65 71.059 71.059 70.350 0.709 18484 1597 1 4 . 1 1 65 65 THR H H 65 7.699 7.699 7.427 0.272 18484 1598 1 4 . 1 1 66 66 ALA N N 66 130.117 130.117 128.601 1.516 18484 1599 1 4 . 1 1 66 66 ALA HA H 66 3.928 3.928 4.136 -0.208 18484 1600 1 4 . 1 1 66 66 ALA CA C 66 51.617 51.617 52.486 -0.869 18484 1601 1 4 . 1 1 66 66 ALA CB C 66 19.653 19.653 19.505 0.148 18484 1602 1 4 . 1 1 66 66 ALA H H 66 8.579 8.579 8.361 0.218 18484 1603 1 4 . 1 1 67 67 GLY N N 67 107.619 107.619 108.037 -0.418 18484 1604 1 4 . 1 1 67 67 GLY CA C 67 43.606 43.606 44.043 -0.437 18484 1605 1 4 . 1 1 67 67 GLY H H 67 8.387 8.387 8.155 0.232 18484 1606 1 4 . 1 1 68 68 VAL N N 68 123.776 123.776 123.854 -0.078 18484 1607 1 4 . 1 1 68 68 VAL HA H 68 4.124 4.124 4.085 0.039 18484 1608 1 4 . 1 1 68 68 VAL CA C 68 60.443 60.443 59.696 0.747 18484 1609 1 4 . 1 1 68 68 VAL CB C 68 34.972 34.972 35.541 -0.569 18484 1610 1 4 . 1 1 68 68 VAL H H 68 8.966 8.966 8.173 0.793 18484 1611 1 4 . 1 1 69 69 LYS N N 69 125.803 125.803 125.289 0.514 18484 1612 1 4 . 1 1 69 69 LYS HA H 69 4.448 4.448 4.416 0.032 18484 1613 1 4 . 1 1 69 69 LYS CA C 69 57.012 57.012 57.728 -0.716 18484 1614 1 4 . 1 1 69 69 LYS CB C 69 33.410 33.410 32.286 1.124 18484 1615 1 4 . 1 1 69 69 LYS H H 69 8.799 8.799 8.829 -0.030 18484 1616 1 4 . 1 1 70 70 GLY N N 70 108.188 108.188 113.648 -5.460 18484 1617 1 4 . 1 1 70 70 GLY CA C 70 43.549 43.549 44.417 -0.868 18484 1618 1 4 . 1 1 70 70 GLY H H 70 8.858 8.858 8.238 0.620 18484 1619 1 4 . 1 1 71 71 GLU N N 71 123.030 123.030 118.812 4.218 18484 1620 1 4 . 1 1 71 71 GLU HA H 71 5.059 5.059 4.536 0.523 18484 1621 1 4 . 1 1 71 71 GLU CA C 71 56.146 56.146 56.152 -0.006 18484 1622 1 4 . 1 1 71 71 GLU CB C 71 36.142 36.142 33.171 2.971 18484 1623 1 4 . 1 1 71 71 GLU H H 71 9.538 9.538 8.343 1.195 18484 1624 1 4 . 1 1 72 72 ARG N N 72 126.426 126.426 124.245 2.181 18484 1625 1 4 . 1 1 72 72 ARG HA H 72 5.059 5.059 4.881 0.178 18484 1626 1 4 . 1 1 72 72 ARG CA C 72 54.001 54.001 55.062 -1.062 18484 1627 1 4 . 1 1 72 72 ARG CB C 72 33.500 33.500 33.506 -0.006 18484 1628 1 4 . 1 1 72 72 ARG H H 72 9.191 9.191 8.460 0.731 18484 1629 1 4 . 1 1 73 73 THR N N 73 120.983 120.983 124.533 -3.550 18484 1630 1 4 . 1 1 73 73 THR HA H 73 4.522 4.522 4.528 -0.006 18484 1631 1 4 . 1 1 73 73 THR CA C 73 60.953 60.953 64.180 -3.227 18484 1632 1 4 . 1 1 73 73 THR CB C 73 68.412 68.412 69.602 -1.190 18484 1633 1 4 . 1 1 73 73 THR H H 73 9.249 9.249 8.619 0.630 18484 1634 1 4 . 1 1 74 74 HIS N N 74 125.685 125.685 126.759 -1.074 18484 1635 1 4 . 1 1 74 74 HIS HA H 74 5.153 5.153 4.499 0.654 18484 1636 1 4 . 1 1 74 74 HIS CA C 74 54.487 54.487 55.222 -0.735 18484 1637 1 4 . 1 1 74 74 HIS CB C 74 32.997 32.997 31.152 1.845 18484 1638 1 4 . 1 1 74 74 HIS H H 74 9.056 9.056 8.560 0.496 18484 1639 1 4 . 1 1 75 75 TYR N N 75 123.688 123.688 125.046 -1.358 18484 1640 1 4 . 1 1 75 75 TYR HA H 75 4.868 4.868 4.872 -0.004 18484 1641 1 4 . 1 1 75 75 TYR CA C 75 56.499 56.499 54.692 1.807 18484 1642 1 4 . 1 1 75 75 TYR CB C 75 38.425 38.425 36.383 2.042 18484 1643 1 4 . 1 1 75 75 TYR H H 75 8.945 8.945 7.332 1.613 18484 1644 1 4 . 1 1 76 76 ILE N N 76 125.717 125.717 124.230 1.487 18484 1645 1 4 . 1 1 76 76 ILE HA H 76 4.800 4.800 4.329 0.471 18484 1646 1 4 . 1 1 76 76 ILE CA C 76 58.787 58.787 60.807 -2.020 18484 1647 1 4 . 1 1 76 76 ILE CB C 76 42.034 42.034 39.884 2.150 18484 1648 1 4 . 1 1 76 76 ILE H H 76 9.079 9.079 8.170 0.909 18484 1649 1 4 . 1 1 77 77 SER N N 77 120.473 120.473 117.668 2.805 18484 1650 1 4 . 1 1 77 77 SER HA H 77 5.183 5.183 4.789 0.394 18484 1651 1 4 . 1 1 77 77 SER CA C 77 55.930 55.930 56.271 -0.341 18484 1652 1 4 . 1 1 77 77 SER CB C 77 63.118 63.118 64.168 -1.050 18484 1653 1 4 . 1 1 77 77 SER H H 77 9.047 9.047 8.185 0.862 18484 1654 1 4 . 1 1 78 78 VAL N N 78 128.488 128.488 129.452 -0.964 18484 1655 1 4 . 1 1 78 78 VAL HA H 78 4.729 4.729 4.101 0.628 18484 1656 1 4 . 1 1 78 78 VAL CA C 78 60.517 60.517 61.556 -1.039 18484 1657 1 4 . 1 1 78 78 VAL CB C 78 33.685 33.685 31.663 2.022 18484 1658 1 4 . 1 1 78 78 VAL H H 78 9.301 9.301 8.654 0.647 18484 1659 1 4 . 1 1 79 79 LEU N N 79 129.698 129.698 130.579 -0.881 18484 1660 1 4 . 1 1 79 79 LEU HA H 79 4.783 4.783 4.661 0.122 18484 1661 1 4 . 1 1 79 79 LEU CA C 79 53.873 53.873 53.800 0.073 18484 1662 1 4 . 1 1 79 79 LEU CB C 79 45.605 45.605 43.455 2.150 18484 1663 1 4 . 1 1 79 79 LEU H H 79 8.553 8.553 7.949 0.604 18484 1664 1 4 . 1 1 80 80 THR N N 80 123.276 123.276 122.840 0.436 18484 1665 1 4 . 1 1 80 80 THR HA H 80 5.096 5.096 4.501 0.595 18484 1666 1 4 . 1 1 80 80 THR CA C 80 60.231 60.231 61.840 -1.609 18484 1667 1 4 . 1 1 80 80 THR CB C 80 68.171 68.171 68.593 -0.422 18484 1668 1 4 . 1 1 80 80 THR H H 80 8.754 8.754 8.701 0.053 18484 1669 1 4 . 1 1 81 81 GLU N N 81 125.405 125.405 129.944 -4.539 18484 1670 1 4 . 1 1 81 81 GLU HA H 81 4.530 4.530 4.408 0.122 18484 1671 1 4 . 1 1 81 81 GLU CA C 81 55.372 55.372 55.606 -0.234 18484 1672 1 4 . 1 1 81 81 GLU CB C 81 32.374 32.374 29.692 2.683 18484 1673 1 4 . 1 1 81 81 GLU H H 81 8.615 8.615 8.482 0.133 18484 1674 1 4 . 1 1 82 82 ASN N N 82 124.375 124.375 121.370 3.005 18484 1675 1 4 . 1 1 82 82 ASN HA H 82 4.360 4.360 4.406 -0.046 18484 1676 1 4 . 1 1 82 82 ASN CA C 82 54.328 54.328 53.537 0.791 18484 1677 1 4 . 1 1 82 82 ASN CB C 82 37.432 37.432 37.230 0.202 18484 1678 1 4 . 1 1 82 82 ASN H H 82 9.559 9.559 9.060 0.499 18484 1679 1 4 . 1 1 83 83 GLY N N 83 103.733 103.733 105.638 -1.905 18484 1680 1 4 . 1 1 83 83 GLY CA C 83 45.359 45.359 44.979 0.380 18484 1681 1 4 . 1 1 83 83 GLY H H 83 8.626 8.626 8.372 0.254 18484 1682 1 4 . 1 1 84 84 LYS N N 84 121.407 121.407 120.837 0.570 18484 1683 1 4 . 1 1 84 84 LYS HA H 84 4.698 4.698 4.631 0.067 18484 1684 1 4 . 1 1 84 84 LYS CA C 84 55.182 55.182 55.773 -0.591 18484 1685 1 4 . 1 1 84 84 LYS CB C 84 34.807 34.807 34.919 -0.112 18484 1686 1 4 . 1 1 84 84 LYS H H 84 7.813 7.813 7.846 -0.033 18484 1687 1 4 . 1 1 85 85 THR N N 85 121.799 121.799 120.570 1.229 18484 1688 1 4 . 1 1 85 85 THR HA H 85 5.194 5.194 4.966 0.228 18484 1689 1 4 . 1 1 85 85 THR CA C 85 60.472 60.472 60.895 -0.423 18484 1690 1 4 . 1 1 85 85 THR CB C 85 69.134 69.134 69.388 -0.253 18484 1691 1 4 . 1 1 85 85 THR H H 85 8.796 8.796 8.464 0.332 18484 1692 1 4 . 1 1 86 86 THR N N 86 122.071 122.071 121.677 0.394 18484 1693 1 4 . 1 1 86 86 THR HA H 86 4.535 4.535 4.498 0.037 18484 1694 1 4 . 1 1 86 86 THR CA C 86 59.990 59.990 61.390 -1.400 18484 1695 1 4 . 1 1 86 86 THR CB C 86 69.856 69.856 70.106 -0.249 18484 1696 1 4 . 1 1 86 86 THR H H 86 9.134 9.134 8.175 0.959 18484 1697 1 4 . 1 1 87 87 GLU N N 87 126.429 126.429 126.077 0.352 18484 1698 1 4 . 1 1 87 87 GLU HA H 87 5.030 5.030 4.454 0.576 18484 1699 1 4 . 1 1 87 87 GLU CA C 87 55.029 55.029 56.359 -1.330 18484 1700 1 4 . 1 1 87 87 GLU CB C 87 31.746 31.746 29.636 2.110 18484 1701 1 4 . 1 1 87 87 GLU H H 87 8.905 8.905 8.664 0.241 18484 1702 1 4 . 1 1 88 88 THR N N 88 120.353 120.353 119.020 1.333 18484 1703 1 4 . 1 1 88 88 THR HA H 88 4.450 4.450 4.602 -0.152 18484 1704 1 4 . 1 1 88 88 THR CA C 88 60.472 60.472 60.370 0.102 18484 1705 1 4 . 1 1 88 88 THR CB C 88 70.646 70.646 70.236 0.410 18484 1706 1 4 . 1 1 88 88 THR H H 88 9.016 9.016 8.034 0.982 18484 1707 1 4 . 1 1 89 89 VAL N N 89 128.484 128.484 126.112 2.372 18484 1708 1 4 . 1 1 89 89 VAL HA H 89 3.978 3.978 3.923 0.055 18484 1709 1 4 . 1 1 89 89 VAL CA C 89 62.471 62.471 64.043 -1.571 18484 1710 1 4 . 1 1 89 89 VAL CB C 89 31.216 31.216 31.601 -0.385 18484 1711 1 4 . 1 1 89 89 VAL H H 89 9.054 9.054 8.868 0.186 18484 1712 1 4 . 1 1 90 90 LEU N N 90 130.587 130.587 129.390 1.197 18484 1713 1 4 . 1 1 90 90 LEU HA H 90 4.325 4.325 4.556 -0.231 18484 1714 1 4 . 1 1 90 90 LEU CA C 90 56.129 56.129 54.972 1.157 18484 1715 1 4 . 1 1 90 90 LEU CB C 90 42.958 42.958 42.970 -0.012 18484 1716 1 4 . 1 1 90 90 LEU H H 90 9.426 9.426 8.542 0.884 18484 1717 1 4 . 1 1 91 91 ASP N N 91 114.928 114.928 116.087 -1.159 18484 1718 1 4 . 1 1 91 91 ASP HA H 91 4.846 4.846 4.660 0.186 18484 1719 1 4 . 1 1 91 91 ASP CA C 91 53.688 53.688 53.890 -0.202 18484 1720 1 4 . 1 1 91 91 ASP CB C 91 43.521 43.521 43.981 -0.460 18484 1721 1 4 . 1 1 91 91 ASP H H 91 7.924 7.924 7.949 -0.025 18484 1722 1 4 . 1 1 92 92 SER N N 92 117.203 117.203 117.208 -0.005 18484 1723 1 4 . 1 1 92 92 SER HA H 92 5.519 5.519 2.836 2.683 18484 1724 1 4 . 1 1 92 92 SER CA C 92 56.622 56.622 56.243 0.379 18484 1725 1 4 . 1 1 92 92 SER CB C 92 63.359 63.359 65.334 -1.974 18484 1726 1 4 . 1 1 92 92 SER H H 92 8.376 8.376 7.976 0.400 18484 1727 1 4 . 1 1 93 93 GLN N N 93 122.058 122.058 119.948 2.110 18484 1728 1 4 . 1 1 93 93 GLN HA H 93 4.731 4.731 4.531 0.200 18484 1729 1 4 . 1 1 93 93 GLN CA C 93 54.781 54.781 54.401 0.379 18484 1730 1 4 . 1 1 93 93 GLN CB C 93 33.312 33.312 31.632 1.680 18484 1731 1 4 . 1 1 93 93 GLN H H 93 9.005 9.005 7.780 1.225 18484 1732 1 4 . 1 1 94 94 VAL N N 94 125.231 125.231 117.858 7.373 18484 1733 1 4 . 1 1 94 94 VAL HA H 94 4.233 4.233 4.287 -0.054 18484 1734 1 4 . 1 1 94 94 VAL CA C 94 63.282 63.282 61.735 1.547 18484 1735 1 4 . 1 1 94 94 VAL CB C 94 30.906 30.906 30.985 -0.079 18484 1736 1 4 . 1 1 94 94 VAL H H 94 9.085 9.085 8.438 0.647 18484 1737 1 4 . 1 1 95 95 THR N N 95 121.170 121.170 120.320 0.850 18484 1738 1 4 . 1 1 95 95 THR HA H 95 4.384 4.384 4.548 -0.164 18484 1739 1 4 . 1 1 95 95 THR CA C 95 60.953 60.953 60.858 0.095 18484 1740 1 4 . 1 1 95 95 THR CB C 95 68.653 68.653 68.133 0.520 18484 1741 1 4 . 1 1 95 95 THR H H 95 8.521 8.521 8.296 0.225 18484 1742 1 4 . 1 1 96 96 LYS N N 96 123.236 123.236 124.577 -1.341 18484 1743 1 4 . 1 1 96 96 LYS HA H 96 4.418 4.418 4.130 0.288 18484 1744 1 4 . 1 1 96 96 LYS CA C 96 56.418 56.418 57.118 -0.700 18484 1745 1 4 . 1 1 96 96 LYS CB C 96 35.690 35.690 32.272 3.418 18484 1746 1 4 . 1 1 96 96 LYS H H 96 7.912 7.912 8.149 -0.237 18484 1747 1 4 . 1 1 97 97 GLU N N 97 125.835 125.835 119.723 6.112 18484 1748 1 4 . 1 1 97 97 GLU HA H 97 4.151 4.151 4.033 0.118 18484 1749 1 4 . 1 1 97 97 GLU CA C 97 56.412 56.412 57.146 -0.734 18484 1750 1 4 . 1 1 97 97 GLU CB C 97 29.948 29.948 30.075 -0.127 18484 1751 1 4 . 1 1 97 97 GLU H H 97 8.665 8.665 7.947 0.718 18484 1752 1 4 . 1 1 98 98 VAL N N 98 122.204 122.204 124.500 -2.296 18484 1753 1 4 . 1 1 98 98 VAL HA H 98 3.915 3.915 4.304 -0.389 18484 1754 1 4 . 1 1 98 98 VAL CA C 98 60.208 60.208 62.389 -2.181 18484 1755 1 4 . 1 1 98 98 VAL CB C 98 33.692 33.692 32.722 0.970 18484 1756 1 4 . 1 1 98 98 VAL H H 98 8.339 8.339 8.225 0.114 18484 1757 1 4 . 1 1 99 99 ILE N N 99 127.874 127.874 129.854 -1.980 18484 1758 1 4 . 1 1 99 99 ILE HA H 99 4.197 4.197 4.052 0.145 18484 1759 1 4 . 1 1 99 99 ILE CA C 99 60.606 60.606 61.047 -0.441 18484 1760 1 4 . 1 1 99 99 ILE CB C 99 39.186 39.186 38.483 0.703 18484 1761 1 4 . 1 1 99 99 ILE H H 99 8.608 8.608 8.410 0.198 18484 1762 1 4 . 1 1 100 100 ASN N N 100 123.343 123.343 124.713 -1.370 18484 1763 1 4 . 1 1 100 100 ASN HA H 100 4.914 4.914 4.870 0.044 18484 1764 1 4 . 1 1 100 100 ASN CA C 100 53.704 53.704 51.966 1.738 18484 1765 1 4 . 1 1 100 100 ASN CB C 100 37.731 37.731 40.015 -2.284 18484 1766 1 4 . 1 1 100 100 ASN H H 100 8.446 8.446 8.454 -0.008 18484 1767 1 4 . 1 1 101 101 GLN N N 101 120.980 120.980 122.248 -1.268 18484 1768 1 4 . 1 1 101 101 GLN HA H 101 4.325 4.325 4.370 -0.045 18484 1769 1 4 . 1 1 101 101 GLN CA C 101 54.659 54.659 56.308 -1.649 18484 1770 1 4 . 1 1 101 101 GLN CB C 101 31.616 31.616 28.850 2.766 18484 1771 1 4 . 1 1 101 101 GLN H H 101 8.254 8.254 8.736 -0.482 18484 1772 1 4 . 1 1 102 102 VAL N N 102 127.057 127.057 128.232 -1.175 18484 1773 1 4 . 1 1 102 102 VAL HA H 102 4.965 4.965 4.222 0.743 18484 1774 1 4 . 1 1 102 102 VAL CA C 102 60.264 60.264 61.576 -1.312 18484 1775 1 4 . 1 1 102 102 VAL CB C 102 33.626 33.626 32.395 1.231 18484 1776 1 4 . 1 1 102 102 VAL H H 102 8.742 8.742 9.027 -0.285 18484 1777 1 4 . 1 1 103 103 VAL N N 103 127.794 127.794 127.810 -0.016 18484 1778 1 4 . 1 1 103 103 VAL HA H 103 4.812 4.812 4.969 -0.157 18484 1779 1 4 . 1 1 103 103 VAL CA C 103 58.547 58.547 59.251 -0.704 18484 1780 1 4 . 1 1 103 103 VAL CB C 103 35.718 35.718 34.264 1.454 18484 1781 1 4 . 1 1 103 103 VAL H H 103 9.160 9.160 7.993 1.167 18484 1782 1 4 . 1 1 104 104 GLU N N 104 125.160 125.160 128.962 -3.802 18484 1783 1 4 . 1 1 104 104 GLU HA H 104 5.513 5.513 4.600 0.913 18484 1784 1 4 . 1 1 104 104 GLU CA C 104 53.721 53.721 55.118 -1.397 18484 1785 1 4 . 1 1 104 104 GLU CB C 104 32.383 32.383 31.142 1.241 18484 1786 1 4 . 1 1 104 104 GLU H H 104 9.085 9.085 8.261 0.824 18484 1787 1 4 . 1 1 105 105 VAL N N 105 117.602 117.602 119.443 -1.841 18484 1788 1 4 . 1 1 105 105 VAL HA H 105 5.241 5.241 5.158 0.083 18484 1789 1 4 . 1 1 105 105 VAL CA C 105 57.055 57.055 58.581 -1.526 18484 1790 1 4 . 1 1 105 105 VAL CB C 105 35.204 35.204 32.069 3.135 18484 1791 1 4 . 1 1 105 105 VAL H H 105 8.536 8.536 8.566 -0.030 18484 1792 1 4 . 1 1 106 106 GLY N N 106 111.023 111.023 114.700 -3.677 18484 1793 1 4 . 1 1 106 106 GLY CA C 106 46.117 46.117 45.008 1.109 18484 1794 1 4 . 1 1 106 106 GLY H H 106 8.635 8.635 8.676 -0.041 18484 1795 1 4 . 1 1 107 107 ALA N N 107 127.369 127.369 126.627 0.742 18484 1796 1 4 . 1 1 107 107 ALA HA H 107 4.515 4.515 4.617 -0.102 18484 1797 1 4 . 1 1 107 107 ALA CA C 107 50.477 50.477 50.775 -0.298 18484 1798 1 4 . 1 1 107 107 ALA CB C 107 19.924 19.924 20.642 -0.718 18484 1799 1 4 . 1 1 107 107 ALA H H 107 7.929 7.929 7.660 0.269 18484 1800 1 4 . 1 1 108 108 PRO HA H 108 4.494 4.494 4.580 -0.086 18484 1801 1 4 . 1 1 108 108 PRO CA C 108 61.698 61.698 62.993 -1.296 18484 1802 1 4 . 1 1 108 108 PRO CB C 108 31.900 31.900 32.623 -0.723 18484 1803 1 4 . 1 1 109 109 VAL N N 109 119.821 119.821 121.893 -2.072 18484 1804 1 4 . 1 1 109 109 VAL HA H 109 4.092 4.092 3.983 0.109 18484 1805 1 4 . 1 1 109 109 VAL CA C 109 60.949 60.949 64.094 -3.145 18484 1806 1 4 . 1 1 109 109 VAL CB C 109 32.389 32.389 32.412 -0.023 18484 1807 1 4 . 1 1 109 109 VAL H H 109 8.303 8.303 8.164 0.139 18484 1808 1 4 . 1 1 110 110 THR N N 110 118.171 118.171 113.703 4.468 18484 1809 1 4 . 1 1 110 110 THR HA H 110 4.338 4.338 4.345 -0.007 18484 1810 1 4 . 1 1 110 110 THR CA C 110 59.028 59.028 63.326 -4.298 18484 1811 1 4 . 1 1 110 110 THR CB C 110 67.676 67.676 68.720 -1.044 18484 1812 1 4 . 1 1 110 110 THR H H 110 8.209 8.209 8.072 0.137 18484 1813 1 5 . 1 1 2 2 GLY N N 2 110.403 110.403 108.524 1.879 18484 1814 1 5 . 1 1 2 2 GLY H H 2 8.459 8.459 8.420 0.039 18484 1815 1 5 . 1 1 10 10 SER HA H 10 4.435 4.435 4.477 -0.042 18484 1816 1 5 . 1 1 11 11 SER CA C 11 57.649 57.649 57.384 0.265 18484 1817 1 5 . 1 1 11 11 SER CB C 11 62.672 62.672 63.213 -0.541 18484 1818 1 5 . 1 1 12 12 GLY N N 12 110.471 110.471 107.989 2.482 18484 1819 1 5 . 1 1 12 12 GLY CA C 12 45.312 45.312 44.286 1.026 18484 1820 1 5 . 1 1 12 12 GLY H H 12 8.365 8.365 7.765 0.600 18484 1821 1 5 . 1 1 13 13 LEU N N 13 121.432 121.432 121.536 -0.104 18484 1822 1 5 . 1 1 13 13 LEU HA H 13 4.327 4.327 4.091 0.236 18484 1823 1 5 . 1 1 13 13 LEU CA C 13 55.573 55.573 54.934 0.639 18484 1824 1 5 . 1 1 13 13 LEU CB C 13 42.428 42.428 41.983 0.445 18484 1825 1 5 . 1 1 13 13 LEU H H 13 8.024 8.024 8.115 -0.091 18484 1826 1 5 . 1 1 14 14 VAL N N 14 122.309 122.309 121.211 1.098 18484 1827 1 5 . 1 1 14 14 VAL H H 14 8.062 8.062 7.645 0.417 18484 1828 1 5 . 1 1 16 16 ARG N N 16 121.951 121.951 119.590 2.361 18484 1829 1 5 . 1 1 16 16 ARG HA H 16 4.312 4.312 4.456 -0.144 18484 1830 1 5 . 1 1 16 16 ARG CA C 16 56.102 56.102 56.476 -0.374 18484 1831 1 5 . 1 1 16 16 ARG CB C 16 30.891 30.891 30.528 0.363 18484 1832 1 5 . 1 1 16 16 ARG H H 16 8.465 8.465 7.736 0.729 18484 1833 1 5 . 1 1 20 20 MET HA H 20 4.435 4.435 4.236 0.199 18484 1834 1 5 . 1 1 20 20 MET CA C 20 55.500 55.500 55.330 0.170 18484 1835 1 5 . 1 1 20 20 MET CB C 20 32.070 32.070 32.348 -0.278 18484 1836 1 5 . 1 1 21 21 SER N N 21 117.005 117.005 120.365 -3.360 18484 1837 1 5 . 1 1 21 21 SER HA H 21 4.435 4.435 4.481 -0.046 18484 1838 1 5 . 1 1 21 21 SER CA C 21 57.066 57.066 58.671 -1.605 18484 1839 1 5 . 1 1 21 21 SER CB C 21 62.566 62.566 63.892 -1.326 18484 1840 1 5 . 1 1 21 21 SER H H 21 8.332 8.332 8.550 -0.218 18484 1841 1 5 . 1 1 22 22 LEU N N 22 124.083 124.083 121.501 2.582 18484 1842 1 5 . 1 1 22 22 LEU HA H 22 4.348 4.348 4.120 0.228 18484 1843 1 5 . 1 1 22 22 LEU CA C 22 55.471 55.471 55.394 0.077 18484 1844 1 5 . 1 1 22 22 LEU CB C 22 42.322 42.322 41.894 0.428 18484 1845 1 5 . 1 1 22 22 LEU H H 22 8.340 8.340 8.027 0.313 18484 1846 1 5 . 1 1 23 23 ASP N N 23 120.867 120.867 119.372 1.495 18484 1847 1 5 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.592 -0.026 18484 1848 1 5 . 1 1 23 23 ASP CA C 23 54.687 54.687 54.675 0.012 18484 1849 1 5 . 1 1 23 23 ASP CB C 23 41.553 41.553 40.859 0.694 18484 1850 1 5 . 1 1 23 23 ASP H H 23 8.312 8.312 7.881 0.431 18484 1851 1 5 . 1 1 24 24 GLU N N 24 121.470 121.470 123.776 -2.306 18484 1852 1 5 . 1 1 24 24 GLU HA H 24 4.566 4.566 4.412 0.154 18484 1853 1 5 . 1 1 24 24 GLU CA C 24 56.921 56.921 55.901 1.020 18484 1854 1 5 . 1 1 24 24 GLU CB C 24 30.015 30.015 31.217 -1.202 18484 1855 1 5 . 1 1 24 24 GLU H H 24 8.411 8.411 8.419 -0.008 18484 1856 1 5 . 1 1 25 25 ASN N N 25 118.582 118.582 118.728 -0.146 18484 1857 1 5 . 1 1 25 25 ASN HA H 25 4.707 4.707 4.699 0.008 18484 1858 1 5 . 1 1 25 25 ASN CA C 25 53.593 53.593 53.632 -0.039 18484 1859 1 5 . 1 1 25 25 ASN CB C 25 39.188 39.188 38.724 0.464 18484 1860 1 5 . 1 1 25 25 ASN H H 25 8.436 8.436 8.662 -0.226 18484 1861 1 5 . 1 1 26 26 GLU N N 26 121.262 121.262 120.278 0.984 18484 1862 1 5 . 1 1 26 26 GLU HA H 26 4.247 4.247 4.624 -0.377 18484 1863 1 5 . 1 1 26 26 GLU CA C 26 56.310 56.310 55.863 0.447 18484 1864 1 5 . 1 1 26 26 GLU CB C 26 30.342 30.342 31.988 -1.646 18484 1865 1 5 . 1 1 26 26 GLU H H 26 8.196 8.196 8.283 -0.087 18484 1866 1 5 . 1 1 27 27 VAL N N 27 121.381 121.381 121.060 0.321 18484 1867 1 5 . 1 1 27 27 VAL HA H 27 4.036 4.036 4.331 -0.295 18484 1868 1 5 . 1 1 27 27 VAL CA C 27 62.396 62.396 62.482 -0.086 18484 1869 1 5 . 1 1 27 27 VAL CB C 27 32.770 32.770 32.295 0.475 18484 1870 1 5 . 1 1 27 27 VAL H H 27 8.092 8.092 8.176 -0.084 18484 1871 1 5 . 1 1 28 28 ALA N N 28 127.549 127.549 128.492 -0.943 18484 1872 1 5 . 1 1 28 28 ALA HA H 28 4.300 4.300 4.095 0.205 18484 1873 1 5 . 1 1 28 28 ALA CA C 28 52.388 52.388 52.733 -0.345 18484 1874 1 5 . 1 1 28 28 ALA CB C 28 20.383 20.383 17.160 3.223 18484 1875 1 5 . 1 1 28 28 ALA H H 28 8.280 8.280 8.674 -0.394 18484 1876 1 5 . 1 1 29 29 ALA N N 29 122.963 122.963 120.034 2.929 18484 1877 1 5 . 1 1 29 29 ALA HA H 29 4.257 4.257 3.814 0.443 18484 1878 1 5 . 1 1 29 29 ALA CA C 29 52.737 52.737 53.507 -0.770 18484 1879 1 5 . 1 1 29 29 ALA CB C 29 20.585 20.585 18.527 2.058 18484 1880 1 5 . 1 1 29 29 ALA H H 29 8.182 8.182 7.920 0.262 18484 1881 1 5 . 1 1 30 30 ASN N N 30 117.863 117.863 115.823 2.040 18484 1882 1 5 . 1 1 30 30 ASN HA H 30 4.697 4.697 4.694 0.003 18484 1883 1 5 . 1 1 30 30 ASN CA C 30 53.107 53.107 53.160 -0.053 18484 1884 1 5 . 1 1 30 30 ASN CB C 30 38.876 38.876 39.757 -0.881 18484 1885 1 5 . 1 1 30 30 ASN H H 30 8.323 8.323 8.550 -0.227 18484 1886 1 5 . 1 1 31 31 VAL N N 31 120.074 120.074 119.536 0.538 18484 1887 1 5 . 1 1 31 31 VAL HA H 31 4.131 4.131 4.220 -0.089 18484 1888 1 5 . 1 1 31 31 VAL CA C 31 60.983 60.983 61.430 -0.447 18484 1889 1 5 . 1 1 31 31 VAL CB C 31 32.827 32.827 33.713 -0.886 18484 1890 1 5 . 1 1 31 31 VAL H H 31 8.041 8.041 7.551 0.490 18484 1891 1 5 . 1 1 32 32 GLU N N 32 124.378 124.378 121.578 2.800 18484 1892 1 5 . 1 1 32 32 GLU HA H 32 4.339 4.339 4.566 -0.227 18484 1893 1 5 . 1 1 32 32 GLU CA C 32 56.728 56.728 56.727 0.001 18484 1894 1 5 . 1 1 32 32 GLU CB C 32 30.439 30.439 30.711 -0.272 18484 1895 1 5 . 1 1 32 32 GLU H H 32 8.487 8.487 8.554 -0.067 18484 1896 1 5 . 1 1 33 33 THR N N 33 116.772 116.772 116.415 0.357 18484 1897 1 5 . 1 1 33 33 THR HA H 33 4.312 4.312 4.527 -0.215 18484 1898 1 5 . 1 1 33 33 THR CA C 33 60.472 60.472 61.919 -1.448 18484 1899 1 5 . 1 1 33 33 THR CB C 33 68.412 68.412 69.793 -1.381 18484 1900 1 5 . 1 1 33 33 THR H H 33 8.224 8.224 7.878 0.346 18484 1901 1 5 . 1 1 34 34 ARG N N 34 124.955 124.955 125.372 -0.417 18484 1902 1 5 . 1 1 34 34 ARG HA H 34 4.732 4.732 4.679 0.053 18484 1903 1 5 . 1 1 34 34 ARG CA C 34 53.635 53.635 53.171 0.464 18484 1904 1 5 . 1 1 34 34 ARG CB C 34 30.581 30.581 30.856 -0.275 18484 1905 1 5 . 1 1 34 34 ARG H H 34 8.438 8.438 8.317 0.121 18484 1906 1 5 . 1 1 35 35 PRO HA H 35 4.667 4.667 4.368 0.299 18484 1907 1 5 . 1 1 35 35 PRO CA C 35 61.995 61.995 63.887 -1.892 18484 1908 1 5 . 1 1 35 35 PRO CB C 35 32.459 32.459 32.400 0.059 18484 1909 1 5 . 1 1 36 36 GLU N N 36 121.398 121.398 118.135 3.263 18484 1910 1 5 . 1 1 36 36 GLU HA H 36 4.509 4.509 4.446 0.063 18484 1911 1 5 . 1 1 36 36 GLU CA C 36 55.563 55.563 56.261 -0.698 18484 1912 1 5 . 1 1 36 36 GLU CB C 36 31.628 31.628 30.759 0.869 18484 1913 1 5 . 1 1 36 36 GLU H H 36 8.663 8.663 8.209 0.454 18484 1914 1 5 . 1 1 37 37 LEU N N 37 125.233 125.233 124.793 0.440 18484 1915 1 5 . 1 1 37 37 LEU HA H 37 5.240 5.240 4.421 0.819 18484 1916 1 5 . 1 1 37 37 LEU CA C 37 54.120 54.120 55.644 -1.524 18484 1917 1 5 . 1 1 37 37 LEU CB C 37 42.407 42.407 42.370 0.038 18484 1918 1 5 . 1 1 37 37 LEU H H 37 8.352 8.352 8.570 -0.218 18484 1919 1 5 . 1 1 38 38 ILE N N 38 121.904 121.904 124.029 -2.125 18484 1920 1 5 . 1 1 38 38 ILE HA H 38 4.775 4.775 4.456 0.319 18484 1921 1 5 . 1 1 38 38 ILE CA C 38 58.065 58.065 60.066 -2.001 18484 1922 1 5 . 1 1 38 38 ILE CB C 38 41.790 41.790 39.742 2.048 18484 1923 1 5 . 1 1 38 38 ILE H H 38 9.224 9.224 8.510 0.714 18484 1924 1 5 . 1 1 39 39 THR N N 39 111.692 111.692 113.572 -1.880 18484 1925 1 5 . 1 1 39 39 THR HA H 39 5.443 5.443 4.868 0.575 18484 1926 1 5 . 1 1 39 39 THR CA C 39 57.825 57.825 61.318 -3.493 18484 1927 1 5 . 1 1 39 39 THR CB C 39 70.337 70.337 70.730 -0.393 18484 1928 1 5 . 1 1 39 39 THR H H 39 8.077 8.077 8.158 -0.081 18484 1929 1 5 . 1 1 40 40 ARG N N 40 121.666 121.666 124.773 -3.107 18484 1930 1 5 . 1 1 40 40 ARG HA H 40 4.707 4.707 4.629 0.078 18484 1931 1 5 . 1 1 40 40 ARG CA C 40 55.674 55.674 55.097 0.577 18484 1932 1 5 . 1 1 40 40 ARG CB C 40 34.932 34.932 32.626 2.307 18484 1933 1 5 . 1 1 40 40 ARG H H 40 8.558 8.558 9.057 -0.499 18484 1934 1 5 . 1 1 41 41 THR N N 41 115.335 115.335 120.031 -4.696 18484 1935 1 5 . 1 1 41 41 THR HA H 41 5.345 5.345 4.837 0.508 18484 1936 1 5 . 1 1 41 41 THR CA C 41 59.028 59.028 61.532 -2.504 18484 1937 1 5 . 1 1 41 41 THR CB C 41 70.332 70.332 69.511 0.821 18484 1938 1 5 . 1 1 41 41 THR H H 41 8.532 8.532 8.565 -0.033 18484 1939 1 5 . 1 1 42 42 GLU N N 42 122.278 122.278 127.692 -5.414 18484 1940 1 5 . 1 1 42 42 GLU HA H 42 4.705 4.705 4.549 0.156 18484 1941 1 5 . 1 1 42 42 GLU CA C 42 54.318 54.318 54.733 -0.416 18484 1942 1 5 . 1 1 42 42 GLU CB C 42 33.984 33.984 31.437 2.547 18484 1943 1 5 . 1 1 42 42 GLU H H 42 9.049 9.049 8.279 0.770 18484 1944 1 5 . 1 1 43 43 GLU N N 43 122.782 122.782 122.490 0.292 18484 1945 1 5 . 1 1 43 43 GLU HA H 43 4.659 4.659 4.209 0.450 18484 1946 1 5 . 1 1 43 43 GLU CA C 43 56.074 56.074 56.886 -0.812 18484 1947 1 5 . 1 1 43 43 GLU CB C 43 31.559 31.559 29.001 2.558 18484 1948 1 5 . 1 1 43 43 GLU H H 43 8.722 8.722 8.561 0.161 18484 1949 1 5 . 1 1 44 44 ILE N N 44 123.255 123.255 128.610 -5.355 18484 1950 1 5 . 1 1 44 44 ILE HA H 44 4.557 4.557 4.428 0.129 18484 1951 1 5 . 1 1 44 44 ILE CA C 44 55.622 55.622 58.099 -2.477 18484 1952 1 5 . 1 1 44 44 ILE CB C 44 40.902 40.902 38.834 2.068 18484 1953 1 5 . 1 1 44 44 ILE H H 44 7.740 7.740 7.760 -0.020 18484 1954 1 5 . 1 1 45 45 PRO HA H 45 4.177 4.177 4.597 -0.420 18484 1955 1 5 . 1 1 45 45 PRO CA C 45 61.978 61.978 62.176 -0.198 18484 1956 1 5 . 1 1 45 45 PRO CB C 45 32.314 32.314 32.278 0.036 18484 1957 1 5 . 1 1 46 46 PHE N N 46 114.670 114.670 118.957 -4.287 18484 1958 1 5 . 1 1 46 46 PHE HA H 46 4.913 4.913 4.713 0.200 18484 1959 1 5 . 1 1 46 46 PHE CA C 46 54.749 54.749 56.098 -1.349 18484 1960 1 5 . 1 1 46 46 PHE CB C 46 42.057 42.057 40.544 1.513 18484 1961 1 5 . 1 1 46 46 PHE H H 46 6.912 6.912 8.042 -1.130 18484 1962 1 5 . 1 1 47 47 GLU N N 47 120.217 120.217 120.155 0.062 18484 1963 1 5 . 1 1 47 47 GLU HA H 47 4.600 4.600 4.392 0.208 18484 1964 1 5 . 1 1 47 47 GLU CA C 47 54.771 54.771 55.915 -1.144 18484 1965 1 5 . 1 1 47 47 GLU CB C 47 32.338 32.338 32.252 0.086 18484 1966 1 5 . 1 1 47 47 GLU H H 47 8.271 8.271 8.564 -0.293 18484 1967 1 5 . 1 1 48 48 VAL N N 48 121.331 121.331 125.250 -3.919 18484 1968 1 5 . 1 1 48 48 VAL HA H 48 4.734 4.734 4.316 0.418 18484 1969 1 5 . 1 1 48 48 VAL CA C 48 61.472 61.472 63.697 -2.225 18484 1970 1 5 . 1 1 48 48 VAL CB C 48 32.699 32.699 32.599 0.100 18484 1971 1 5 . 1 1 48 48 VAL H H 48 8.625 8.625 8.465 0.160 18484 1972 1 5 . 1 1 49 49 ILE N N 49 132.310 132.310 125.315 6.995 18484 1973 1 5 . 1 1 49 49 ILE HA H 49 4.205 4.205 4.428 -0.223 18484 1974 1 5 . 1 1 49 49 ILE CA C 49 58.886 58.886 59.695 -0.809 18484 1975 1 5 . 1 1 49 49 ILE CB C 49 39.037 39.037 41.206 -2.169 18484 1976 1 5 . 1 1 49 49 ILE H H 49 9.505 9.505 8.528 0.977 18484 1977 1 5 . 1 1 50 50 LYS N N 50 125.764 125.764 122.547 3.217 18484 1978 1 5 . 1 1 50 50 LYS HA H 50 5.284 5.284 4.574 0.710 18484 1979 1 5 . 1 1 50 50 LYS CA C 50 54.802 54.802 55.116 -0.314 18484 1980 1 5 . 1 1 50 50 LYS CB C 50 34.186 34.186 32.945 1.241 18484 1981 1 5 . 1 1 50 50 LYS H H 50 8.507 8.507 8.380 0.127 18484 1982 1 5 . 1 1 51 51 LYS N N 51 124.935 124.935 125.195 -0.260 18484 1983 1 5 . 1 1 51 51 LYS HA H 51 4.608 4.608 4.568 0.040 18484 1984 1 5 . 1 1 51 51 LYS CA C 51 54.006 54.006 55.027 -1.021 18484 1985 1 5 . 1 1 51 51 LYS CB C 51 34.756 34.756 36.147 -1.391 18484 1986 1 5 . 1 1 51 51 LYS H H 51 9.066 9.066 8.715 0.351 18484 1987 1 5 . 1 1 52 52 GLU N N 52 124.186 124.186 121.667 2.519 18484 1988 1 5 . 1 1 52 52 GLU HA H 52 4.621 4.621 5.094 -0.473 18484 1989 1 5 . 1 1 52 52 GLU CA C 52 55.931 55.931 55.134 0.797 18484 1990 1 5 . 1 1 52 52 GLU CB C 52 31.036 31.036 31.771 -0.735 18484 1991 1 5 . 1 1 52 52 GLU H H 52 8.777 8.777 8.492 0.285 18484 1992 1 5 . 1 1 53 53 ASN N N 53 121.687 121.687 122.580 -0.893 18484 1993 1 5 . 1 1 53 53 ASN HA H 53 5.240 5.240 5.193 0.047 18484 1994 1 5 . 1 1 53 53 ASN CA C 53 49.409 49.409 50.718 -1.309 18484 1995 1 5 . 1 1 53 53 ASN CB C 53 40.473 40.473 40.065 0.408 18484 1996 1 5 . 1 1 53 53 ASN H H 53 8.890 8.890 8.114 0.776 18484 1997 1 5 . 1 1 54 54 PRO HA H 54 4.587 4.587 4.527 0.060 18484 1998 1 5 . 1 1 54 54 PRO CA C 54 62.650 62.650 64.482 -1.832 18484 1999 1 5 . 1 1 54 54 PRO CB C 54 32.219 32.219 32.218 0.001 18484 2000 1 5 . 1 1 55 55 ASN N N 55 115.629 115.629 115.755 -0.126 18484 2001 1 5 . 1 1 55 55 ASN HA H 55 4.695 4.695 4.502 0.193 18484 2002 1 5 . 1 1 55 55 ASN CA C 55 53.685 53.685 54.265 -0.580 18484 2003 1 5 . 1 1 55 55 ASN CB C 55 39.137 39.137 37.739 1.398 18484 2004 1 5 . 1 1 55 55 ASN H H 55 8.422 8.422 8.356 0.066 18484 2005 1 5 . 1 1 56 56 LEU N N 56 121.277 121.277 120.757 0.520 18484 2006 1 5 . 1 1 56 56 LEU HA H 56 4.686 4.686 4.445 0.241 18484 2007 1 5 . 1 1 56 56 LEU CA C 56 52.145 52.145 53.679 -1.534 18484 2008 1 5 . 1 1 56 56 LEU CB C 56 42.456 42.456 41.026 1.430 18484 2009 1 5 . 1 1 56 56 LEU H H 56 7.278 7.278 7.507 -0.229 18484 2010 1 5 . 1 1 57 57 PRO HA H 57 4.298 4.298 4.405 -0.107 18484 2011 1 5 . 1 1 57 57 PRO CA C 57 61.332 61.332 62.419 -1.087 18484 2012 1 5 . 1 1 57 57 PRO CB C 57 32.232 32.232 29.516 2.716 18484 2013 1 5 . 1 1 58 58 ALA N N 58 123.896 123.896 120.405 3.491 18484 2014 1 5 . 1 1 58 58 ALA HA H 58 3.892 3.892 3.920 -0.028 18484 2015 1 5 . 1 1 58 58 ALA CA C 58 53.559 53.559 52.599 0.960 18484 2016 1 5 . 1 1 58 58 ALA CB C 58 19.480 19.480 18.742 0.738 18484 2017 1 5 . 1 1 58 58 ALA H H 58 8.263 8.263 7.723 0.540 18484 2018 1 5 . 1 1 59 59 GLY N N 59 110.843 110.843 110.636 0.207 18484 2019 1 5 . 1 1 59 59 GLY CA C 59 45.339 45.339 45.657 -0.318 18484 2020 1 5 . 1 1 59 59 GLY H H 59 8.755 8.755 8.327 0.428 18484 2021 1 5 . 1 1 60 60 GLN N N 60 121.444 121.444 119.549 1.895 18484 2022 1 5 . 1 1 60 60 GLN HA H 60 4.251 4.251 4.530 -0.279 18484 2023 1 5 . 1 1 60 60 GLN CA C 60 56.080 56.080 54.952 1.128 18484 2024 1 5 . 1 1 60 60 GLN CB C 60 29.876 29.876 31.427 -1.551 18484 2025 1 5 . 1 1 60 60 GLN H H 60 7.877 7.877 8.107 -0.230 18484 2026 1 5 . 1 1 61 61 GLU N N 61 123.364 123.364 124.005 -0.641 18484 2027 1 5 . 1 1 61 61 GLU HA H 61 5.241 5.241 4.518 0.723 18484 2028 1 5 . 1 1 61 61 GLU CA C 61 55.012 55.012 55.453 -0.441 18484 2029 1 5 . 1 1 61 61 GLU CB C 61 32.368 32.368 30.696 1.672 18484 2030 1 5 . 1 1 61 61 GLU H H 61 8.419 8.419 8.549 -0.130 18484 2031 1 5 . 1 1 62 62 ASN N N 62 121.499 121.499 122.488 -0.989 18484 2032 1 5 . 1 1 62 62 ASN HA H 62 5.078 5.078 4.859 0.219 18484 2033 1 5 . 1 1 62 62 ASN CA C 62 51.617 51.617 52.827 -1.210 18484 2034 1 5 . 1 1 62 62 ASN CB C 62 40.999 40.999 40.959 0.040 18484 2035 1 5 . 1 1 62 62 ASN H H 62 9.164 9.164 8.592 0.572 18484 2036 1 5 . 1 1 63 63 ILE N N 63 125.976 125.976 126.041 -0.065 18484 2037 1 5 . 1 1 63 63 ILE HA H 63 3.979 3.979 4.535 -0.556 18484 2038 1 5 . 1 1 63 63 ILE CA C 63 61.650 61.650 59.617 2.033 18484 2039 1 5 . 1 1 63 63 ILE CB C 63 37.404 37.404 36.553 0.851 18484 2040 1 5 . 1 1 63 63 ILE H H 63 9.032 9.032 8.614 0.418 18484 2041 1 5 . 1 1 64 64 ILE N N 64 130.073 130.073 127.242 2.831 18484 2042 1 5 . 1 1 64 64 ILE HA H 64 4.139 4.139 3.963 0.176 18484 2043 1 5 . 1 1 64 64 ILE CA C 64 60.699 60.699 62.275 -1.576 18484 2044 1 5 . 1 1 64 64 ILE CB C 64 38.029 38.029 37.980 0.049 18484 2045 1 5 . 1 1 64 64 ILE H H 64 8.876 8.876 8.455 0.421 18484 2046 1 5 . 1 1 65 65 THR N N 65 116.771 116.771 112.636 4.135 18484 2047 1 5 . 1 1 65 65 THR HA H 65 4.349 4.349 4.422 -0.073 18484 2048 1 5 . 1 1 65 65 THR CA C 65 60.066 60.066 61.604 -1.538 18484 2049 1 5 . 1 1 65 65 THR CB C 65 71.059 71.059 69.918 1.141 18484 2050 1 5 . 1 1 65 65 THR H H 65 7.699 7.699 7.418 0.281 18484 2051 1 5 . 1 1 66 66 ALA N N 66 130.117 130.117 129.008 1.109 18484 2052 1 5 . 1 1 66 66 ALA HA H 66 3.928 3.928 4.498 -0.570 18484 2053 1 5 . 1 1 66 66 ALA CA C 66 51.617 51.617 51.887 -0.270 18484 2054 1 5 . 1 1 66 66 ALA CB C 66 19.653 19.653 19.721 -0.068 18484 2055 1 5 . 1 1 66 66 ALA H H 66 8.579 8.579 8.319 0.260 18484 2056 1 5 . 1 1 67 67 GLY N N 67 107.619 107.619 109.198 -1.579 18484 2057 1 5 . 1 1 67 67 GLY CA C 67 43.606 43.606 44.142 -0.536 18484 2058 1 5 . 1 1 67 67 GLY H H 67 8.387 8.387 8.155 0.232 18484 2059 1 5 . 1 1 68 68 VAL N N 68 123.776 123.776 122.444 1.332 18484 2060 1 5 . 1 1 68 68 VAL HA H 68 4.124 4.124 3.874 0.250 18484 2061 1 5 . 1 1 68 68 VAL CA C 68 60.443 60.443 59.343 1.101 18484 2062 1 5 . 1 1 68 68 VAL CB C 68 34.972 34.972 36.435 -1.463 18484 2063 1 5 . 1 1 68 68 VAL H H 68 8.966 8.966 8.206 0.760 18484 2064 1 5 . 1 1 69 69 LYS N N 69 125.803 125.803 124.948 0.855 18484 2065 1 5 . 1 1 69 69 LYS HA H 69 4.448 4.448 4.538 -0.090 18484 2066 1 5 . 1 1 69 69 LYS CA C 69 57.012 57.012 56.467 0.545 18484 2067 1 5 . 1 1 69 69 LYS CB C 69 33.410 33.410 31.829 1.581 18484 2068 1 5 . 1 1 69 69 LYS H H 69 8.799 8.799 8.591 0.208 18484 2069 1 5 . 1 1 70 70 GLY N N 70 108.188 108.188 112.868 -4.680 18484 2070 1 5 . 1 1 70 70 GLY CA C 70 43.549 43.549 44.323 -0.774 18484 2071 1 5 . 1 1 70 70 GLY H H 70 8.858 8.858 8.047 0.811 18484 2072 1 5 . 1 1 71 71 GLU N N 71 123.030 123.030 118.051 4.979 18484 2073 1 5 . 1 1 71 71 GLU HA H 71 5.059 5.059 4.548 0.511 18484 2074 1 5 . 1 1 71 71 GLU CA C 71 56.146 56.146 56.151 -0.005 18484 2075 1 5 . 1 1 71 71 GLU CB C 71 36.142 36.142 33.388 2.754 18484 2076 1 5 . 1 1 71 71 GLU H H 71 9.538 9.538 8.349 1.189 18484 2077 1 5 . 1 1 72 72 ARG N N 72 126.426 126.426 123.573 2.853 18484 2078 1 5 . 1 1 72 72 ARG HA H 72 5.059 5.059 4.906 0.153 18484 2079 1 5 . 1 1 72 72 ARG CA C 72 54.001 54.001 55.049 -1.048 18484 2080 1 5 . 1 1 72 72 ARG CB C 72 33.500 33.500 33.502 -0.002 18484 2081 1 5 . 1 1 72 72 ARG H H 72 9.191 9.191 8.439 0.752 18484 2082 1 5 . 1 1 73 73 THR N N 73 120.983 120.983 125.635 -4.652 18484 2083 1 5 . 1 1 73 73 THR HA H 73 4.522 4.522 4.477 0.045 18484 2084 1 5 . 1 1 73 73 THR CA C 73 60.953 60.953 64.206 -3.252 18484 2085 1 5 . 1 1 73 73 THR CB C 73 68.412 68.412 69.456 -1.044 18484 2086 1 5 . 1 1 73 73 THR H H 73 9.249 9.249 8.395 0.854 18484 2087 1 5 . 1 1 74 74 HIS N N 74 125.685 125.685 126.516 -0.831 18484 2088 1 5 . 1 1 74 74 HIS HA H 74 5.153 5.153 4.505 0.648 18484 2089 1 5 . 1 1 74 74 HIS CA C 74 54.487 54.487 55.204 -0.717 18484 2090 1 5 . 1 1 74 74 HIS CB C 74 32.997 32.997 31.183 1.813 18484 2091 1 5 . 1 1 74 74 HIS H H 74 9.056 9.056 8.721 0.335 18484 2092 1 5 . 1 1 75 75 TYR N N 75 123.688 123.688 125.499 -1.811 18484 2093 1 5 . 1 1 75 75 TYR HA H 75 4.868 4.868 4.807 0.061 18484 2094 1 5 . 1 1 75 75 TYR CA C 75 56.499 56.499 54.716 1.783 18484 2095 1 5 . 1 1 75 75 TYR CB C 75 38.425 38.425 36.336 2.089 18484 2096 1 5 . 1 1 75 75 TYR H H 75 8.945 8.945 7.437 1.508 18484 2097 1 5 . 1 1 76 76 ILE N N 76 125.717 125.717 124.060 1.657 18484 2098 1 5 . 1 1 76 76 ILE HA H 76 4.800 4.800 4.234 0.566 18484 2099 1 5 . 1 1 76 76 ILE CA C 76 58.787 58.787 60.340 -1.553 18484 2100 1 5 . 1 1 76 76 ILE CB C 76 42.034 42.034 39.769 2.265 18484 2101 1 5 . 1 1 76 76 ILE H H 76 9.079 9.079 8.219 0.860 18484 2102 1 5 . 1 1 77 77 SER N N 77 120.473 120.473 116.535 3.938 18484 2103 1 5 . 1 1 77 77 SER HA H 77 5.183 5.183 4.759 0.424 18484 2104 1 5 . 1 1 77 77 SER CA C 77 55.930 55.930 56.972 -1.042 18484 2105 1 5 . 1 1 77 77 SER CB C 77 63.118 63.118 64.263 -1.145 18484 2106 1 5 . 1 1 77 77 SER H H 77 9.047 9.047 8.229 0.818 18484 2107 1 5 . 1 1 78 78 VAL N N 78 128.488 128.488 125.476 3.012 18484 2108 1 5 . 1 1 78 78 VAL HA H 78 4.729 4.729 4.265 0.464 18484 2109 1 5 . 1 1 78 78 VAL CA C 78 60.517 60.517 61.944 -1.427 18484 2110 1 5 . 1 1 78 78 VAL CB C 78 33.685 33.685 31.666 2.019 18484 2111 1 5 . 1 1 78 78 VAL H H 78 9.301 9.301 8.099 1.202 18484 2112 1 5 . 1 1 79 79 LEU N N 79 129.698 129.698 130.074 -0.376 18484 2113 1 5 . 1 1 79 79 LEU HA H 79 4.783 4.783 4.841 -0.058 18484 2114 1 5 . 1 1 79 79 LEU CA C 79 53.873 53.873 53.266 0.607 18484 2115 1 5 . 1 1 79 79 LEU CB C 79 45.605 45.605 44.646 0.959 18484 2116 1 5 . 1 1 79 79 LEU H H 79 8.553 8.553 7.941 0.612 18484 2117 1 5 . 1 1 80 80 THR N N 80 123.276 123.276 118.585 4.691 18484 2118 1 5 . 1 1 80 80 THR HA H 80 5.096 5.096 5.299 -0.203 18484 2119 1 5 . 1 1 80 80 THR CA C 80 60.231 60.231 60.449 -0.218 18484 2120 1 5 . 1 1 80 80 THR CB C 80 68.171 68.171 70.088 -1.917 18484 2121 1 5 . 1 1 80 80 THR H H 80 8.754 8.754 8.509 0.245 18484 2122 1 5 . 1 1 81 81 GLU N N 81 125.405 125.405 126.254 -0.849 18484 2123 1 5 . 1 1 81 81 GLU HA H 81 4.530 4.530 4.504 0.026 18484 2124 1 5 . 1 1 81 81 GLU CA C 81 55.372 55.372 56.608 -1.236 18484 2125 1 5 . 1 1 81 81 GLU CB C 81 32.374 32.374 32.286 0.088 18484 2126 1 5 . 1 1 81 81 GLU H H 81 8.615 8.615 8.456 0.159 18484 2127 1 5 . 1 1 82 82 ASN N N 82 124.375 124.375 123.961 0.414 18484 2128 1 5 . 1 1 82 82 ASN HA H 82 4.360 4.360 4.454 -0.094 18484 2129 1 5 . 1 1 82 82 ASN CA C 82 54.328 54.328 53.506 0.822 18484 2130 1 5 . 1 1 82 82 ASN CB C 82 37.432 37.432 37.734 -0.302 18484 2131 1 5 . 1 1 82 82 ASN H H 82 9.559 9.559 9.082 0.477 18484 2132 1 5 . 1 1 83 83 GLY N N 83 103.733 103.733 101.021 2.712 18484 2133 1 5 . 1 1 83 83 GLY CA C 83 45.359 45.359 45.016 0.343 18484 2134 1 5 . 1 1 83 83 GLY H H 83 8.626 8.626 8.531 0.095 18484 2135 1 5 . 1 1 84 84 LYS N N 84 121.407 121.407 118.732 2.675 18484 2136 1 5 . 1 1 84 84 LYS HA H 84 4.698 4.698 4.724 -0.026 18484 2137 1 5 . 1 1 84 84 LYS CA C 84 55.182 55.182 54.603 0.579 18484 2138 1 5 . 1 1 84 84 LYS CB C 84 34.807 34.807 35.444 -0.637 18484 2139 1 5 . 1 1 84 84 LYS H H 84 7.813 7.813 7.351 0.462 18484 2140 1 5 . 1 1 85 85 THR N N 85 121.799 121.799 117.798 4.001 18484 2141 1 5 . 1 1 85 85 THR HA H 85 5.194 5.194 4.858 0.336 18484 2142 1 5 . 1 1 85 85 THR CA C 85 60.472 60.472 61.747 -1.275 18484 2143 1 5 . 1 1 85 85 THR CB C 85 69.134 69.134 69.655 -0.521 18484 2144 1 5 . 1 1 85 85 THR H H 85 8.796 8.796 8.462 0.334 18484 2145 1 5 . 1 1 86 86 THR N N 86 122.071 122.071 122.775 -0.704 18484 2146 1 5 . 1 1 86 86 THR HA H 86 4.535 4.535 4.614 -0.079 18484 2147 1 5 . 1 1 86 86 THR CA C 86 59.990 59.990 61.357 -1.367 18484 2148 1 5 . 1 1 86 86 THR CB C 86 69.856 69.856 70.175 -0.319 18484 2149 1 5 . 1 1 86 86 THR H H 86 9.134 9.134 9.037 0.096 18484 2150 1 5 . 1 1 87 87 GLU N N 87 126.429 126.429 123.312 3.117 18484 2151 1 5 . 1 1 87 87 GLU HA H 87 5.030 5.030 4.779 0.251 18484 2152 1 5 . 1 1 87 87 GLU CA C 87 55.029 55.029 55.031 -0.001 18484 2153 1 5 . 1 1 87 87 GLU CB C 87 31.746 31.746 31.315 0.431 18484 2154 1 5 . 1 1 87 87 GLU H H 87 8.905 8.905 8.544 0.361 18484 2155 1 5 . 1 1 88 88 THR N N 88 120.353 120.353 120.844 -0.491 18484 2156 1 5 . 1 1 88 88 THR HA H 88 4.450 4.450 4.544 -0.094 18484 2157 1 5 . 1 1 88 88 THR CA C 88 60.472 60.472 61.732 -1.260 18484 2158 1 5 . 1 1 88 88 THR CB C 88 70.646 70.646 71.326 -0.679 18484 2159 1 5 . 1 1 88 88 THR H H 88 9.016 9.016 8.451 0.565 18484 2160 1 5 . 1 1 89 89 VAL N N 89 128.484 128.484 127.652 0.832 18484 2161 1 5 . 1 1 89 89 VAL HA H 89 3.978 3.978 3.941 0.037 18484 2162 1 5 . 1 1 89 89 VAL CA C 89 62.471 62.471 63.728 -1.257 18484 2163 1 5 . 1 1 89 89 VAL CB C 89 31.216 31.216 32.339 -1.123 18484 2164 1 5 . 1 1 89 89 VAL H H 89 9.054 9.054 8.761 0.293 18484 2165 1 5 . 1 1 90 90 LEU N N 90 130.587 130.587 130.035 0.552 18484 2166 1 5 . 1 1 90 90 LEU HA H 90 4.325 4.325 4.685 -0.360 18484 2167 1 5 . 1 1 90 90 LEU CA C 90 56.129 56.129 55.528 0.601 18484 2168 1 5 . 1 1 90 90 LEU CB C 90 42.958 42.958 44.256 -1.298 18484 2169 1 5 . 1 1 90 90 LEU H H 90 9.426 9.426 8.557 0.869 18484 2170 1 5 . 1 1 91 91 ASP N N 91 114.928 114.928 116.750 -1.822 18484 2171 1 5 . 1 1 91 91 ASP HA H 91 4.846 4.846 4.671 0.175 18484 2172 1 5 . 1 1 91 91 ASP CA C 91 53.688 53.688 54.029 -0.341 18484 2173 1 5 . 1 1 91 91 ASP CB C 91 43.521 43.521 43.504 0.017 18484 2174 1 5 . 1 1 91 91 ASP H H 91 7.924 7.924 7.726 0.198 18484 2175 1 5 . 1 1 92 92 SER N N 92 117.203 117.203 117.780 -0.577 18484 2176 1 5 . 1 1 92 92 SER HA H 92 5.519 5.519 2.781 2.738 18484 2177 1 5 . 1 1 92 92 SER CA C 92 56.622 56.622 56.265 0.357 18484 2178 1 5 . 1 1 92 92 SER CB C 92 63.359 63.359 65.179 -1.820 18484 2179 1 5 . 1 1 92 92 SER H H 92 8.376 8.376 7.972 0.404 18484 2180 1 5 . 1 1 93 93 GLN N N 93 122.058 122.058 119.844 2.214 18484 2181 1 5 . 1 1 93 93 GLN HA H 93 4.731 4.731 4.490 0.241 18484 2182 1 5 . 1 1 93 93 GLN CA C 93 54.781 54.781 53.849 0.932 18484 2183 1 5 . 1 1 93 93 GLN CB C 93 33.312 33.312 30.658 2.654 18484 2184 1 5 . 1 1 93 93 GLN H H 93 9.005 9.005 8.003 1.002 18484 2185 1 5 . 1 1 94 94 VAL N N 94 125.231 125.231 121.356 3.875 18484 2186 1 5 . 1 1 94 94 VAL HA H 94 4.233 4.233 4.196 0.037 18484 2187 1 5 . 1 1 94 94 VAL CA C 94 63.282 63.282 61.773 1.509 18484 2188 1 5 . 1 1 94 94 VAL CB C 94 30.906 30.906 32.056 -1.150 18484 2189 1 5 . 1 1 94 94 VAL H H 94 9.085 9.085 8.511 0.574 18484 2190 1 5 . 1 1 95 95 THR N N 95 121.170 121.170 121.953 -0.783 18484 2191 1 5 . 1 1 95 95 THR HA H 95 4.384 4.384 4.612 -0.228 18484 2192 1 5 . 1 1 95 95 THR CA C 95 60.953 60.953 61.218 -0.265 18484 2193 1 5 . 1 1 95 95 THR CB C 95 68.653 68.653 68.226 0.427 18484 2194 1 5 . 1 1 95 95 THR H H 95 8.521 8.521 8.198 0.323 18484 2195 1 5 . 1 1 96 96 LYS N N 96 123.236 123.236 122.283 0.953 18484 2196 1 5 . 1 1 96 96 LYS HA H 96 4.418 4.418 4.138 0.280 18484 2197 1 5 . 1 1 96 96 LYS CA C 96 56.418 56.418 57.598 -1.180 18484 2198 1 5 . 1 1 96 96 LYS CB C 96 35.690 35.690 32.833 2.857 18484 2199 1 5 . 1 1 96 96 LYS H H 96 7.912 7.912 8.184 -0.272 18484 2200 1 5 . 1 1 97 97 GLU N N 97 125.835 125.835 119.079 6.756 18484 2201 1 5 . 1 1 97 97 GLU HA H 97 4.151 4.151 3.974 0.177 18484 2202 1 5 . 1 1 97 97 GLU CA C 97 56.412 56.412 57.014 -0.602 18484 2203 1 5 . 1 1 97 97 GLU CB C 97 29.948 29.948 29.532 0.416 18484 2204 1 5 . 1 1 97 97 GLU H H 97 8.665 8.665 7.989 0.676 18484 2205 1 5 . 1 1 98 98 VAL N N 98 122.204 122.204 123.227 -1.023 18484 2206 1 5 . 1 1 98 98 VAL HA H 98 3.915 3.915 4.221 -0.306 18484 2207 1 5 . 1 1 98 98 VAL CA C 98 60.208 60.208 62.238 -2.030 18484 2208 1 5 . 1 1 98 98 VAL CB C 98 33.692 33.692 32.537 1.155 18484 2209 1 5 . 1 1 98 98 VAL H H 98 8.339 8.339 8.423 -0.084 18484 2210 1 5 . 1 1 99 99 ILE N N 99 127.874 127.874 129.717 -1.843 18484 2211 1 5 . 1 1 99 99 ILE HA H 99 4.197 4.197 4.173 0.024 18484 2212 1 5 . 1 1 99 99 ILE CA C 99 60.606 60.606 61.178 -0.572 18484 2213 1 5 . 1 1 99 99 ILE CB C 99 39.186 39.186 39.727 -0.541 18484 2214 1 5 . 1 1 99 99 ILE H H 99 8.608 8.608 8.027 0.581 18484 2215 1 5 . 1 1 100 100 ASN N N 100 123.343 123.343 126.590 -3.247 18484 2216 1 5 . 1 1 100 100 ASN HA H 100 4.914 4.914 4.982 -0.068 18484 2217 1 5 . 1 1 100 100 ASN CA C 100 53.704 53.704 51.853 1.851 18484 2218 1 5 . 1 1 100 100 ASN CB C 100 37.731 37.731 39.798 -2.067 18484 2219 1 5 . 1 1 100 100 ASN H H 100 8.446 8.446 8.567 -0.121 18484 2220 1 5 . 1 1 101 101 GLN N N 101 120.980 120.980 119.338 1.642 18484 2221 1 5 . 1 1 101 101 GLN HA H 101 4.325 4.325 5.003 -0.678 18484 2222 1 5 . 1 1 101 101 GLN CA C 101 54.659 54.659 55.125 -0.466 18484 2223 1 5 . 1 1 101 101 GLN CB C 101 31.616 31.616 30.879 0.737 18484 2224 1 5 . 1 1 101 101 GLN H H 101 8.254 8.254 8.460 -0.206 18484 2225 1 5 . 1 1 102 102 VAL N N 102 127.057 127.057 126.183 0.874 18484 2226 1 5 . 1 1 102 102 VAL HA H 102 4.965 4.965 4.260 0.705 18484 2227 1 5 . 1 1 102 102 VAL CA C 102 60.264 60.264 61.405 -1.141 18484 2228 1 5 . 1 1 102 102 VAL CB C 102 33.626 33.626 33.734 -0.108 18484 2229 1 5 . 1 1 102 102 VAL H H 102 8.742 8.742 9.020 -0.278 18484 2230 1 5 . 1 1 103 103 VAL N N 103 127.794 127.794 122.149 5.645 18484 2231 1 5 . 1 1 103 103 VAL HA H 103 4.812 4.812 5.252 -0.440 18484 2232 1 5 . 1 1 103 103 VAL CA C 103 58.547 58.547 58.857 -0.310 18484 2233 1 5 . 1 1 103 103 VAL CB C 103 35.718 35.718 35.523 0.195 18484 2234 1 5 . 1 1 103 103 VAL H H 103 9.160 9.160 7.876 1.284 18484 2235 1 5 . 1 1 104 104 GLU N N 104 125.160 125.160 123.507 1.653 18484 2236 1 5 . 1 1 104 104 GLU HA H 104 5.513 5.513 4.819 0.694 18484 2237 1 5 . 1 1 104 104 GLU CA C 104 53.721 53.721 54.243 -0.522 18484 2238 1 5 . 1 1 104 104 GLU CB C 104 32.383 32.383 30.316 2.067 18484 2239 1 5 . 1 1 104 104 GLU H H 104 9.085 9.085 8.082 1.003 18484 2240 1 5 . 1 1 105 105 VAL N N 105 117.602 117.602 125.731 -8.129 18484 2241 1 5 . 1 1 105 105 VAL HA H 105 5.241 5.241 4.229 1.012 18484 2242 1 5 . 1 1 105 105 VAL CA C 105 57.055 57.055 61.889 -4.835 18484 2243 1 5 . 1 1 105 105 VAL CB C 105 35.204 35.204 31.652 3.552 18484 2244 1 5 . 1 1 105 105 VAL H H 105 8.536 8.536 9.092 -0.556 18484 2245 1 5 . 1 1 106 106 GLY N N 106 111.023 111.023 116.186 -5.163 18484 2246 1 5 . 1 1 106 106 GLY CA C 106 46.117 46.117 45.091 1.026 18484 2247 1 5 . 1 1 106 106 GLY H H 106 8.635 8.635 8.017 0.618 18484 2248 1 5 . 1 1 107 107 ALA N N 107 127.369 127.369 127.452 -0.083 18484 2249 1 5 . 1 1 107 107 ALA HA H 107 4.515 4.515 4.674 -0.159 18484 2250 1 5 . 1 1 107 107 ALA CA C 107 50.477 50.477 49.141 1.336 18484 2251 1 5 . 1 1 107 107 ALA CB C 107 19.924 19.924 19.532 0.392 18484 2252 1 5 . 1 1 107 107 ALA H H 107 7.929 7.929 7.976 -0.047 18484 2253 1 5 . 1 1 108 108 PRO HA H 108 4.494 4.494 4.292 0.202 18484 2254 1 5 . 1 1 108 108 PRO CA C 108 61.698 61.698 65.598 -3.900 18484 2255 1 5 . 1 1 108 108 PRO CB C 108 31.900 31.900 32.273 -0.373 18484 2256 1 5 . 1 1 109 109 VAL N N 109 119.821 119.821 112.296 7.525 18484 2257 1 5 . 1 1 109 109 VAL HA H 109 4.092 4.092 4.198 -0.106 18484 2258 1 5 . 1 1 109 109 VAL CA C 109 60.949 60.949 62.859 -1.910 18484 2259 1 5 . 1 1 109 109 VAL CB C 109 32.389 32.389 32.169 0.220 18484 2260 1 5 . 1 1 109 109 VAL H H 109 8.303 8.303 7.736 0.567 18484 2261 1 5 . 1 1 110 110 THR N N 110 118.171 118.171 115.762 2.409 18484 2262 1 5 . 1 1 110 110 THR HA H 110 4.338 4.338 4.528 -0.190 18484 2263 1 5 . 1 1 110 110 THR CA C 110 59.028 59.028 63.016 -3.988 18484 2264 1 5 . 1 1 110 110 THR CB C 110 67.676 67.676 69.029 -1.353 18484 2265 1 5 . 1 1 110 110 THR H H 110 8.209 8.209 7.855 0.354 18484 2266 1 6 . 1 1 2 2 GLY N N 2 110.403 110.403 108.213 2.190 18484 2267 1 6 . 1 1 2 2 GLY H H 2 8.459 8.459 8.013 0.446 18484 2268 1 6 . 1 1 10 10 SER HA H 10 4.435 4.435 4.461 -0.026 18484 2269 1 6 . 1 1 11 11 SER CA C 11 57.649 57.649 58.603 -0.954 18484 2270 1 6 . 1 1 11 11 SER CB C 11 62.672 62.672 65.064 -2.392 18484 2271 1 6 . 1 1 12 12 GLY N N 12 110.471 110.471 110.462 0.009 18484 2272 1 6 . 1 1 12 12 GLY CA C 12 45.312 45.312 44.593 0.719 18484 2273 1 6 . 1 1 12 12 GLY H H 12 8.365 8.365 8.193 0.172 18484 2274 1 6 . 1 1 13 13 LEU N N 13 121.432 121.432 121.509 -0.077 18484 2275 1 6 . 1 1 13 13 LEU HA H 13 4.327 4.327 4.516 -0.189 18484 2276 1 6 . 1 1 13 13 LEU CA C 13 55.573 55.573 55.146 0.427 18484 2277 1 6 . 1 1 13 13 LEU CB C 13 42.428 42.428 42.383 0.045 18484 2278 1 6 . 1 1 13 13 LEU H H 13 8.024 8.024 8.229 -0.205 18484 2279 1 6 . 1 1 14 14 VAL N N 14 122.309 122.309 118.335 3.974 18484 2280 1 6 . 1 1 14 14 VAL H H 14 8.062 8.062 8.016 0.046 18484 2281 1 6 . 1 1 16 16 ARG N N 16 121.951 121.951 117.038 4.913 18484 2282 1 6 . 1 1 16 16 ARG HA H 16 4.312 4.312 4.462 -0.150 18484 2283 1 6 . 1 1 16 16 ARG CA C 16 56.102 56.102 54.756 1.346 18484 2284 1 6 . 1 1 16 16 ARG CB C 16 30.891 30.891 30.619 0.272 18484 2285 1 6 . 1 1 16 16 ARG H H 16 8.465 8.465 7.414 1.051 18484 2286 1 6 . 1 1 20 20 MET HA H 20 4.435 4.435 4.499 -0.064 18484 2287 1 6 . 1 1 20 20 MET CA C 20 55.500 55.500 55.247 0.253 18484 2288 1 6 . 1 1 20 20 MET CB C 20 32.070 32.070 32.915 -0.845 18484 2289 1 6 . 1 1 21 21 SER N N 21 117.005 117.005 116.686 0.319 18484 2290 1 6 . 1 1 21 21 SER HA H 21 4.435 4.435 4.321 0.114 18484 2291 1 6 . 1 1 21 21 SER CA C 21 57.066 57.066 58.559 -1.493 18484 2292 1 6 . 1 1 21 21 SER CB C 21 62.566 62.566 63.760 -1.194 18484 2293 1 6 . 1 1 21 21 SER H H 21 8.332 8.332 8.307 0.025 18484 2294 1 6 . 1 1 22 22 LEU N N 22 124.083 124.083 121.153 2.930 18484 2295 1 6 . 1 1 22 22 LEU HA H 22 4.348 4.348 4.458 -0.110 18484 2296 1 6 . 1 1 22 22 LEU CA C 22 55.471 55.471 55.934 -0.463 18484 2297 1 6 . 1 1 22 22 LEU CB C 22 42.322 42.322 42.781 -0.459 18484 2298 1 6 . 1 1 22 22 LEU H H 22 8.340 8.340 8.203 0.137 18484 2299 1 6 . 1 1 23 23 ASP N N 23 120.867 120.867 121.928 -1.061 18484 2300 1 6 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.865 -0.299 18484 2301 1 6 . 1 1 23 23 ASP CA C 23 54.687 54.687 54.459 0.228 18484 2302 1 6 . 1 1 23 23 ASP CB C 23 41.553 41.553 40.312 1.242 18484 2303 1 6 . 1 1 23 23 ASP H H 23 8.312 8.312 8.544 -0.232 18484 2304 1 6 . 1 1 24 24 GLU N N 24 121.470 121.470 121.044 0.426 18484 2305 1 6 . 1 1 24 24 GLU HA H 24 4.566 4.566 4.325 0.241 18484 2306 1 6 . 1 1 24 24 GLU CA C 24 56.921 56.921 56.453 0.468 18484 2307 1 6 . 1 1 24 24 GLU CB C 24 30.015 30.015 30.659 -0.644 18484 2308 1 6 . 1 1 24 24 GLU H H 24 8.411 8.411 8.679 -0.268 18484 2309 1 6 . 1 1 25 25 ASN N N 25 118.582 118.582 117.611 0.971 18484 2310 1 6 . 1 1 25 25 ASN HA H 25 4.707 4.707 4.405 0.302 18484 2311 1 6 . 1 1 25 25 ASN CA C 25 53.593 53.593 53.820 -0.227 18484 2312 1 6 . 1 1 25 25 ASN CB C 25 39.188 39.188 39.025 0.163 18484 2313 1 6 . 1 1 25 25 ASN H H 25 8.436 8.436 8.183 0.253 18484 2314 1 6 . 1 1 26 26 GLU N N 26 121.262 121.262 120.843 0.419 18484 2315 1 6 . 1 1 26 26 GLU HA H 26 4.247 4.247 4.241 0.006 18484 2316 1 6 . 1 1 26 26 GLU CA C 26 56.310 56.310 56.896 -0.586 18484 2317 1 6 . 1 1 26 26 GLU CB C 26 30.342 30.342 30.166 0.176 18484 2318 1 6 . 1 1 26 26 GLU H H 26 8.196 8.196 8.434 -0.238 18484 2319 1 6 . 1 1 27 27 VAL N N 27 121.381 121.381 121.024 0.357 18484 2320 1 6 . 1 1 27 27 VAL HA H 27 4.036 4.036 4.235 -0.199 18484 2321 1 6 . 1 1 27 27 VAL CA C 27 62.396 62.396 61.780 0.616 18484 2322 1 6 . 1 1 27 27 VAL CB C 27 32.770 32.770 33.658 -0.888 18484 2323 1 6 . 1 1 27 27 VAL H H 27 8.092 8.092 8.386 -0.294 18484 2324 1 6 . 1 1 28 28 ALA N N 28 127.549 127.549 129.757 -2.208 18484 2325 1 6 . 1 1 28 28 ALA HA H 28 4.300 4.300 4.126 0.174 18484 2326 1 6 . 1 1 28 28 ALA CA C 28 52.388 52.388 53.573 -1.185 18484 2327 1 6 . 1 1 28 28 ALA CB C 28 20.383 20.383 18.883 1.500 18484 2328 1 6 . 1 1 28 28 ALA H H 28 8.280 8.280 8.370 -0.090 18484 2329 1 6 . 1 1 29 29 ALA N N 29 122.963 122.963 122.636 0.327 18484 2330 1 6 . 1 1 29 29 ALA HA H 29 4.257 4.257 4.313 -0.056 18484 2331 1 6 . 1 1 29 29 ALA CA C 29 52.737 52.737 52.787 -0.050 18484 2332 1 6 . 1 1 29 29 ALA CB C 29 20.585 20.585 19.159 1.426 18484 2333 1 6 . 1 1 29 29 ALA H H 29 8.182 8.182 7.901 0.281 18484 2334 1 6 . 1 1 30 30 ASN N N 30 117.863 117.863 118.135 -0.272 18484 2335 1 6 . 1 1 30 30 ASN HA H 30 4.697 4.697 4.778 -0.081 18484 2336 1 6 . 1 1 30 30 ASN CA C 30 53.107 53.107 52.446 0.661 18484 2337 1 6 . 1 1 30 30 ASN CB C 30 38.876 38.876 39.332 -0.456 18484 2338 1 6 . 1 1 30 30 ASN H H 30 8.323 8.323 8.026 0.297 18484 2339 1 6 . 1 1 31 31 VAL N N 31 120.074 120.074 116.702 3.372 18484 2340 1 6 . 1 1 31 31 VAL HA H 31 4.131 4.131 4.248 -0.117 18484 2341 1 6 . 1 1 31 31 VAL CA C 31 60.983 60.983 61.856 -0.873 18484 2342 1 6 . 1 1 31 31 VAL CB C 31 32.827 32.827 31.594 1.233 18484 2343 1 6 . 1 1 31 31 VAL H H 31 8.041 8.041 8.247 -0.206 18484 2344 1 6 . 1 1 32 32 GLU N N 32 124.378 124.378 119.743 4.635 18484 2345 1 6 . 1 1 32 32 GLU HA H 32 4.339 4.339 4.140 0.199 18484 2346 1 6 . 1 1 32 32 GLU CA C 32 56.728 56.728 57.233 -0.505 18484 2347 1 6 . 1 1 32 32 GLU CB C 32 30.439 30.439 29.654 0.785 18484 2348 1 6 . 1 1 32 32 GLU H H 32 8.487 8.487 8.059 0.428 18484 2349 1 6 . 1 1 33 33 THR N N 33 116.772 116.772 117.511 -0.739 18484 2350 1 6 . 1 1 33 33 THR HA H 33 4.312 4.312 4.400 -0.088 18484 2351 1 6 . 1 1 33 33 THR CA C 33 60.472 60.472 62.140 -1.668 18484 2352 1 6 . 1 1 33 33 THR CB C 33 68.412 68.412 69.813 -1.401 18484 2353 1 6 . 1 1 33 33 THR H H 33 8.224 8.224 8.010 0.214 18484 2354 1 6 . 1 1 34 34 ARG N N 34 124.955 124.955 120.961 3.994 18484 2355 1 6 . 1 1 34 34 ARG HA H 34 4.732 4.732 4.632 0.100 18484 2356 1 6 . 1 1 34 34 ARG CA C 34 53.635 53.635 54.707 -1.072 18484 2357 1 6 . 1 1 34 34 ARG CB C 34 30.581 30.581 31.457 -0.876 18484 2358 1 6 . 1 1 34 34 ARG H H 34 8.438 8.438 7.968 0.470 18484 2359 1 6 . 1 1 35 35 PRO HA H 35 4.667 4.667 4.493 0.174 18484 2360 1 6 . 1 1 35 35 PRO CA C 35 61.995 61.995 62.511 -0.516 18484 2361 1 6 . 1 1 35 35 PRO CB C 35 32.459 32.459 32.538 -0.080 18484 2362 1 6 . 1 1 36 36 GLU N N 36 121.398 121.398 119.581 1.817 18484 2363 1 6 . 1 1 36 36 GLU HA H 36 4.509 4.509 4.506 0.003 18484 2364 1 6 . 1 1 36 36 GLU CA C 36 55.563 55.563 55.611 -0.048 18484 2365 1 6 . 1 1 36 36 GLU CB C 36 31.628 31.628 31.120 0.508 18484 2366 1 6 . 1 1 36 36 GLU H H 36 8.663 8.663 8.549 0.114 18484 2367 1 6 . 1 1 37 37 LEU N N 37 125.233 125.233 120.818 4.415 18484 2368 1 6 . 1 1 37 37 LEU HA H 37 5.240 5.240 5.118 0.122 18484 2369 1 6 . 1 1 37 37 LEU CA C 37 54.120 54.120 53.771 0.349 18484 2370 1 6 . 1 1 37 37 LEU CB C 37 42.407 42.407 42.254 0.153 18484 2371 1 6 . 1 1 37 37 LEU H H 37 8.352 8.352 8.438 -0.086 18484 2372 1 6 . 1 1 38 38 ILE N N 38 121.904 121.904 121.229 0.675 18484 2373 1 6 . 1 1 38 38 ILE HA H 38 4.775 4.775 4.902 -0.127 18484 2374 1 6 . 1 1 38 38 ILE CA C 38 58.065 58.065 59.247 -1.182 18484 2375 1 6 . 1 1 38 38 ILE CB C 38 41.790 41.790 41.114 0.676 18484 2376 1 6 . 1 1 38 38 ILE H H 38 9.224 9.224 9.202 0.022 18484 2377 1 6 . 1 1 39 39 THR N N 39 111.692 111.692 111.113 0.579 18484 2378 1 6 . 1 1 39 39 THR HA H 39 5.443 5.443 5.127 0.316 18484 2379 1 6 . 1 1 39 39 THR CA C 39 57.825 57.825 60.496 -2.671 18484 2380 1 6 . 1 1 39 39 THR CB C 39 70.337 70.337 71.141 -0.804 18484 2381 1 6 . 1 1 39 39 THR H H 39 8.077 8.077 8.204 -0.127 18484 2382 1 6 . 1 1 40 40 ARG N N 40 121.666 121.666 121.768 -0.102 18484 2383 1 6 . 1 1 40 40 ARG HA H 40 4.707 4.707 4.527 0.180 18484 2384 1 6 . 1 1 40 40 ARG CA C 40 55.674 55.674 56.435 -0.761 18484 2385 1 6 . 1 1 40 40 ARG CB C 40 34.932 34.932 33.020 1.912 18484 2386 1 6 . 1 1 40 40 ARG H H 40 8.558 8.558 8.978 -0.420 18484 2387 1 6 . 1 1 41 41 THR N N 41 115.335 115.335 121.830 -6.495 18484 2388 1 6 . 1 1 41 41 THR HA H 41 5.345 5.345 4.963 0.382 18484 2389 1 6 . 1 1 41 41 THR CA C 41 59.028 59.028 61.611 -2.583 18484 2390 1 6 . 1 1 41 41 THR CB C 41 70.332 70.332 69.994 0.338 18484 2391 1 6 . 1 1 41 41 THR H H 41 8.532 8.532 8.639 -0.107 18484 2392 1 6 . 1 1 42 42 GLU N N 42 122.278 122.278 128.445 -6.167 18484 2393 1 6 . 1 1 42 42 GLU HA H 42 4.705 4.705 4.544 0.161 18484 2394 1 6 . 1 1 42 42 GLU CA C 42 54.318 54.318 54.755 -0.437 18484 2395 1 6 . 1 1 42 42 GLU CB C 42 33.984 33.984 31.379 2.605 18484 2396 1 6 . 1 1 42 42 GLU H H 42 9.049 9.049 8.288 0.761 18484 2397 1 6 . 1 1 43 43 GLU N N 43 122.782 122.782 122.246 0.536 18484 2398 1 6 . 1 1 43 43 GLU HA H 43 4.659 4.659 4.415 0.244 18484 2399 1 6 . 1 1 43 43 GLU CA C 43 56.074 56.074 56.696 -0.622 18484 2400 1 6 . 1 1 43 43 GLU CB C 43 31.559 31.559 29.420 2.139 18484 2401 1 6 . 1 1 43 43 GLU H H 43 8.722 8.722 8.640 0.082 18484 2402 1 6 . 1 1 44 44 ILE N N 44 123.255 123.255 128.408 -5.153 18484 2403 1 6 . 1 1 44 44 ILE HA H 44 4.557 4.557 4.499 0.058 18484 2404 1 6 . 1 1 44 44 ILE CA C 44 55.622 55.622 58.104 -2.482 18484 2405 1 6 . 1 1 44 44 ILE CB C 44 40.902 40.902 39.236 1.666 18484 2406 1 6 . 1 1 44 44 ILE H H 44 7.740 7.740 7.914 -0.174 18484 2407 1 6 . 1 1 45 45 PRO HA H 45 4.177 4.177 4.659 -0.482 18484 2408 1 6 . 1 1 45 45 PRO CA C 45 61.978 61.978 61.899 0.079 18484 2409 1 6 . 1 1 45 45 PRO CB C 45 32.314 32.314 32.240 0.074 18484 2410 1 6 . 1 1 46 46 PHE N N 46 114.670 114.670 118.886 -4.216 18484 2411 1 6 . 1 1 46 46 PHE HA H 46 4.913 4.913 4.762 0.151 18484 2412 1 6 . 1 1 46 46 PHE CA C 46 54.749 54.749 55.995 -1.246 18484 2413 1 6 . 1 1 46 46 PHE CB C 46 42.057 42.057 40.673 1.384 18484 2414 1 6 . 1 1 46 46 PHE H H 46 6.912 6.912 7.842 -0.930 18484 2415 1 6 . 1 1 47 47 GLU N N 47 120.217 120.217 120.585 -0.368 18484 2416 1 6 . 1 1 47 47 GLU HA H 47 4.600 4.600 4.324 0.276 18484 2417 1 6 . 1 1 47 47 GLU CA C 47 54.771 54.771 55.623 -0.852 18484 2418 1 6 . 1 1 47 47 GLU CB C 47 32.338 32.338 32.173 0.165 18484 2419 1 6 . 1 1 47 47 GLU H H 47 8.271 8.271 8.597 -0.326 18484 2420 1 6 . 1 1 48 48 VAL N N 48 121.331 121.331 126.013 -4.682 18484 2421 1 6 . 1 1 48 48 VAL HA H 48 4.734 4.734 4.247 0.487 18484 2422 1 6 . 1 1 48 48 VAL CA C 48 61.472 61.472 62.414 -0.942 18484 2423 1 6 . 1 1 48 48 VAL CB C 48 32.699 32.699 32.515 0.184 18484 2424 1 6 . 1 1 48 48 VAL H H 48 8.625 8.625 8.426 0.199 18484 2425 1 6 . 1 1 49 49 ILE N N 49 132.310 132.310 125.857 6.453 18484 2426 1 6 . 1 1 49 49 ILE HA H 49 4.205 4.205 4.373 -0.168 18484 2427 1 6 . 1 1 49 49 ILE CA C 49 58.886 58.886 59.713 -0.827 18484 2428 1 6 . 1 1 49 49 ILE CB C 49 39.037 39.037 41.586 -2.549 18484 2429 1 6 . 1 1 49 49 ILE H H 49 9.505 9.505 8.094 1.411 18484 2430 1 6 . 1 1 50 50 LYS N N 50 125.764 125.764 123.214 2.550 18484 2431 1 6 . 1 1 50 50 LYS HA H 50 5.284 5.284 4.599 0.685 18484 2432 1 6 . 1 1 50 50 LYS CA C 50 54.802 54.802 54.510 0.292 18484 2433 1 6 . 1 1 50 50 LYS CB C 50 34.186 34.186 31.850 2.336 18484 2434 1 6 . 1 1 50 50 LYS H H 50 8.507 8.507 8.346 0.161 18484 2435 1 6 . 1 1 51 51 LYS N N 51 124.935 124.935 125.092 -0.157 18484 2436 1 6 . 1 1 51 51 LYS HA H 51 4.608 4.608 4.411 0.197 18484 2437 1 6 . 1 1 51 51 LYS CA C 51 54.006 54.006 55.105 -1.099 18484 2438 1 6 . 1 1 51 51 LYS CB C 51 34.756 34.756 34.422 0.334 18484 2439 1 6 . 1 1 51 51 LYS H H 51 9.066 9.066 8.014 1.052 18484 2440 1 6 . 1 1 52 52 GLU N N 52 124.186 124.186 123.363 0.823 18484 2441 1 6 . 1 1 52 52 GLU HA H 52 4.621 4.621 4.824 -0.203 18484 2442 1 6 . 1 1 52 52 GLU CA C 52 55.931 55.931 55.567 0.364 18484 2443 1 6 . 1 1 52 52 GLU CB C 52 31.036 31.036 30.589 0.447 18484 2444 1 6 . 1 1 52 52 GLU H H 52 8.777 8.777 8.649 0.128 18484 2445 1 6 . 1 1 53 53 ASN N N 53 121.687 121.687 125.729 -4.042 18484 2446 1 6 . 1 1 53 53 ASN HA H 53 5.240 5.240 5.059 0.181 18484 2447 1 6 . 1 1 53 53 ASN CA C 53 49.409 49.409 50.867 -1.458 18484 2448 1 6 . 1 1 53 53 ASN CB C 53 40.473 40.473 39.023 1.450 18484 2449 1 6 . 1 1 53 53 ASN H H 53 8.890 8.890 8.663 0.227 18484 2450 1 6 . 1 1 54 54 PRO HA H 54 4.587 4.587 4.342 0.245 18484 2451 1 6 . 1 1 54 54 PRO CA C 54 62.650 62.650 64.761 -2.111 18484 2452 1 6 . 1 1 54 54 PRO CB C 54 32.219 32.219 31.913 0.306 18484 2453 1 6 . 1 1 55 55 ASN N N 55 115.629 115.629 115.906 -0.277 18484 2454 1 6 . 1 1 55 55 ASN HA H 55 4.695 4.695 4.556 0.139 18484 2455 1 6 . 1 1 55 55 ASN CA C 55 53.685 53.685 53.484 0.201 18484 2456 1 6 . 1 1 55 55 ASN CB C 55 39.137 39.137 38.621 0.516 18484 2457 1 6 . 1 1 55 55 ASN H H 55 8.422 8.422 8.448 -0.026 18484 2458 1 6 . 1 1 56 56 LEU N N 56 121.277 121.277 120.781 0.496 18484 2459 1 6 . 1 1 56 56 LEU HA H 56 4.686 4.686 4.346 0.340 18484 2460 1 6 . 1 1 56 56 LEU CA C 56 52.145 52.145 53.947 -1.802 18484 2461 1 6 . 1 1 56 56 LEU CB C 56 42.456 42.456 41.972 0.484 18484 2462 1 6 . 1 1 56 56 LEU H H 56 7.278 7.278 7.278 0.000 18484 2463 1 6 . 1 1 57 57 PRO HA H 57 4.298 4.298 4.472 -0.174 18484 2464 1 6 . 1 1 57 57 PRO CA C 57 61.332 61.332 62.389 -1.057 18484 2465 1 6 . 1 1 57 57 PRO CB C 57 32.232 32.232 30.999 1.233 18484 2466 1 6 . 1 1 58 58 ALA N N 58 123.896 123.896 121.297 2.599 18484 2467 1 6 . 1 1 58 58 ALA HA H 58 3.892 3.892 3.887 0.005 18484 2468 1 6 . 1 1 58 58 ALA CA C 58 53.559 53.559 52.925 0.634 18484 2469 1 6 . 1 1 58 58 ALA CB C 58 19.480 19.480 18.010 1.470 18484 2470 1 6 . 1 1 58 58 ALA H H 58 8.263 8.263 8.083 0.180 18484 2471 1 6 . 1 1 59 59 GLY N N 59 110.843 110.843 108.542 2.301 18484 2472 1 6 . 1 1 59 59 GLY CA C 59 45.339 45.339 45.045 0.294 18484 2473 1 6 . 1 1 59 59 GLY H H 59 8.755 8.755 8.558 0.197 18484 2474 1 6 . 1 1 60 60 GLN N N 60 121.444 121.444 121.308 0.136 18484 2475 1 6 . 1 1 60 60 GLN HA H 60 4.251 4.251 4.319 -0.068 18484 2476 1 6 . 1 1 60 60 GLN CA C 60 56.080 56.080 56.464 -0.384 18484 2477 1 6 . 1 1 60 60 GLN CB C 60 29.876 29.876 29.478 0.398 18484 2478 1 6 . 1 1 60 60 GLN H H 60 7.877 7.877 8.010 -0.133 18484 2479 1 6 . 1 1 61 61 GLU N N 61 123.364 123.364 125.296 -1.932 18484 2480 1 6 . 1 1 61 61 GLU HA H 61 5.241 5.241 5.084 0.157 18484 2481 1 6 . 1 1 61 61 GLU CA C 61 55.012 55.012 54.701 0.311 18484 2482 1 6 . 1 1 61 61 GLU CB C 61 32.368 32.368 33.020 -0.652 18484 2483 1 6 . 1 1 61 61 GLU H H 61 8.419 8.419 8.533 -0.114 18484 2484 1 6 . 1 1 62 62 ASN N N 62 121.499 121.499 123.061 -1.562 18484 2485 1 6 . 1 1 62 62 ASN HA H 62 5.078 5.078 4.971 0.107 18484 2486 1 6 . 1 1 62 62 ASN CA C 62 51.617 51.617 51.592 0.026 18484 2487 1 6 . 1 1 62 62 ASN CB C 62 40.999 40.999 40.848 0.151 18484 2488 1 6 . 1 1 62 62 ASN H H 62 9.164 9.164 8.285 0.879 18484 2489 1 6 . 1 1 63 63 ILE N N 63 125.976 125.976 122.314 3.662 18484 2490 1 6 . 1 1 63 63 ILE HA H 63 3.979 3.979 4.546 -0.567 18484 2491 1 6 . 1 1 63 63 ILE CA C 63 61.650 61.650 59.462 2.188 18484 2492 1 6 . 1 1 63 63 ILE CB C 63 37.404 37.404 35.954 1.450 18484 2493 1 6 . 1 1 63 63 ILE H H 63 9.032 9.032 8.575 0.457 18484 2494 1 6 . 1 1 64 64 ILE N N 64 130.073 130.073 127.926 2.147 18484 2495 1 6 . 1 1 64 64 ILE HA H 64 4.139 4.139 3.901 0.238 18484 2496 1 6 . 1 1 64 64 ILE CA C 64 60.699 60.699 62.700 -2.002 18484 2497 1 6 . 1 1 64 64 ILE CB C 64 38.029 38.029 37.674 0.355 18484 2498 1 6 . 1 1 64 64 ILE H H 64 8.876 8.876 8.312 0.564 18484 2499 1 6 . 1 1 65 65 THR N N 65 116.771 116.771 113.552 3.219 18484 2500 1 6 . 1 1 65 65 THR HA H 65 4.349 4.349 4.382 -0.033 18484 2501 1 6 . 1 1 65 65 THR CA C 65 60.066 60.066 61.807 -1.741 18484 2502 1 6 . 1 1 65 65 THR CB C 65 71.059 71.059 70.143 0.916 18484 2503 1 6 . 1 1 65 65 THR H H 65 7.699 7.699 7.387 0.312 18484 2504 1 6 . 1 1 66 66 ALA N N 66 130.117 130.117 127.717 2.400 18484 2505 1 6 . 1 1 66 66 ALA HA H 66 3.928 3.928 4.057 -0.129 18484 2506 1 6 . 1 1 66 66 ALA CA C 66 51.617 51.617 52.599 -0.982 18484 2507 1 6 . 1 1 66 66 ALA CB C 66 19.653 19.653 19.443 0.210 18484 2508 1 6 . 1 1 66 66 ALA H H 66 8.579 8.579 8.239 0.340 18484 2509 1 6 . 1 1 67 67 GLY N N 67 107.619 107.619 107.742 -0.123 18484 2510 1 6 . 1 1 67 67 GLY CA C 67 43.606 43.606 43.766 -0.160 18484 2511 1 6 . 1 1 67 67 GLY H H 67 8.387 8.387 7.939 0.448 18484 2512 1 6 . 1 1 68 68 VAL N N 68 123.776 123.776 123.326 0.450 18484 2513 1 6 . 1 1 68 68 VAL HA H 68 4.124 4.124 4.198 -0.074 18484 2514 1 6 . 1 1 68 68 VAL CA C 68 60.443 60.443 59.814 0.629 18484 2515 1 6 . 1 1 68 68 VAL CB C 68 34.972 34.972 35.798 -0.826 18484 2516 1 6 . 1 1 68 68 VAL H H 68 8.966 8.966 8.027 0.939 18484 2517 1 6 . 1 1 69 69 LYS N N 69 125.803 125.803 127.314 -1.511 18484 2518 1 6 . 1 1 69 69 LYS HA H 69 4.448 4.448 4.291 0.157 18484 2519 1 6 . 1 1 69 69 LYS CA C 69 57.012 57.012 58.009 -0.997 18484 2520 1 6 . 1 1 69 69 LYS CB C 69 33.410 33.410 32.463 0.947 18484 2521 1 6 . 1 1 69 69 LYS H H 69 8.799 8.799 8.907 -0.108 18484 2522 1 6 . 1 1 70 70 GLY N N 70 108.188 108.188 111.764 -3.576 18484 2523 1 6 . 1 1 70 70 GLY CA C 70 43.549 43.549 44.054 -0.505 18484 2524 1 6 . 1 1 70 70 GLY H H 70 8.858 8.858 8.335 0.523 18484 2525 1 6 . 1 1 71 71 GLU N N 71 123.030 123.030 118.368 4.662 18484 2526 1 6 . 1 1 71 71 GLU HA H 71 5.059 5.059 4.704 0.355 18484 2527 1 6 . 1 1 71 71 GLU CA C 71 56.146 56.146 56.102 0.044 18484 2528 1 6 . 1 1 71 71 GLU CB C 71 36.142 36.142 34.522 1.620 18484 2529 1 6 . 1 1 71 71 GLU H H 71 9.538 9.538 8.619 0.919 18484 2530 1 6 . 1 1 72 72 ARG N N 72 126.426 126.426 123.057 3.369 18484 2531 1 6 . 1 1 72 72 ARG HA H 72 5.059 5.059 4.865 0.194 18484 2532 1 6 . 1 1 72 72 ARG CA C 72 54.001 54.001 55.184 -1.183 18484 2533 1 6 . 1 1 72 72 ARG CB C 72 33.500 33.500 33.583 -0.083 18484 2534 1 6 . 1 1 72 72 ARG H H 72 9.191 9.191 8.483 0.708 18484 2535 1 6 . 1 1 73 73 THR N N 73 120.983 120.983 125.635 -4.652 18484 2536 1 6 . 1 1 73 73 THR HA H 73 4.522 4.522 4.490 0.032 18484 2537 1 6 . 1 1 73 73 THR CA C 73 60.953 60.953 64.152 -3.199 18484 2538 1 6 . 1 1 73 73 THR CB C 73 68.412 68.412 69.318 -0.906 18484 2539 1 6 . 1 1 73 73 THR H H 73 9.249 9.249 8.913 0.336 18484 2540 1 6 . 1 1 74 74 HIS N N 74 125.685 125.685 126.994 -1.309 18484 2541 1 6 . 1 1 74 74 HIS HA H 74 5.153 5.153 4.624 0.529 18484 2542 1 6 . 1 1 74 74 HIS CA C 74 54.487 54.487 55.632 -1.145 18484 2543 1 6 . 1 1 74 74 HIS CB C 74 32.997 32.997 31.172 1.825 18484 2544 1 6 . 1 1 74 74 HIS H H 74 9.056 9.056 8.795 0.261 18484 2545 1 6 . 1 1 75 75 TYR N N 75 123.688 123.688 125.137 -1.449 18484 2546 1 6 . 1 1 75 75 TYR HA H 75 4.868 4.868 4.935 -0.067 18484 2547 1 6 . 1 1 75 75 TYR CA C 75 56.499 56.499 54.654 1.845 18484 2548 1 6 . 1 1 75 75 TYR CB C 75 38.425 38.425 36.758 1.667 18484 2549 1 6 . 1 1 75 75 TYR H H 75 8.945 8.945 7.855 1.090 18484 2550 1 6 . 1 1 76 76 ILE N N 76 125.717 125.717 124.844 0.873 18484 2551 1 6 . 1 1 76 76 ILE HA H 76 4.800 4.800 4.512 0.288 18484 2552 1 6 . 1 1 76 76 ILE CA C 76 58.787 58.787 59.727 -0.940 18484 2553 1 6 . 1 1 76 76 ILE CB C 76 42.034 42.034 40.435 1.599 18484 2554 1 6 . 1 1 76 76 ILE H H 76 9.079 9.079 8.221 0.858 18484 2555 1 6 . 1 1 77 77 SER N N 77 120.473 120.473 119.350 1.123 18484 2556 1 6 . 1 1 77 77 SER HA H 77 5.183 5.183 5.177 0.006 18484 2557 1 6 . 1 1 77 77 SER CA C 77 55.930 55.930 57.032 -1.101 18484 2558 1 6 . 1 1 77 77 SER CB C 77 63.118 63.118 63.836 -0.718 18484 2559 1 6 . 1 1 77 77 SER H H 77 9.047 9.047 8.472 0.576 18484 2560 1 6 . 1 1 78 78 VAL N N 78 128.488 128.488 127.439 1.049 18484 2561 1 6 . 1 1 78 78 VAL HA H 78 4.729 4.729 4.598 0.131 18484 2562 1 6 . 1 1 78 78 VAL CA C 78 60.517 60.517 60.802 -0.285 18484 2563 1 6 . 1 1 78 78 VAL CB C 78 33.685 33.685 32.039 1.646 18484 2564 1 6 . 1 1 78 78 VAL H H 78 9.301 9.301 8.005 1.296 18484 2565 1 6 . 1 1 79 79 LEU N N 79 129.698 129.698 131.378 -1.680 18484 2566 1 6 . 1 1 79 79 LEU HA H 79 4.783 4.783 4.718 0.065 18484 2567 1 6 . 1 1 79 79 LEU CA C 79 53.873 53.873 53.524 0.349 18484 2568 1 6 . 1 1 79 79 LEU CB C 79 45.605 45.605 43.806 1.799 18484 2569 1 6 . 1 1 79 79 LEU H H 79 8.553 8.553 7.972 0.581 18484 2570 1 6 . 1 1 80 80 THR N N 80 123.276 123.276 122.767 0.509 18484 2571 1 6 . 1 1 80 80 THR HA H 80 5.096 5.096 4.404 0.692 18484 2572 1 6 . 1 1 80 80 THR CA C 80 60.231 60.231 63.569 -3.338 18484 2573 1 6 . 1 1 80 80 THR CB C 80 68.171 68.171 68.879 -0.708 18484 2574 1 6 . 1 1 80 80 THR H H 80 8.754 8.754 8.704 0.050 18484 2575 1 6 . 1 1 81 81 GLU N N 81 125.405 125.405 128.206 -2.801 18484 2576 1 6 . 1 1 81 81 GLU HA H 81 4.530 4.530 4.410 0.120 18484 2577 1 6 . 1 1 81 81 GLU CA C 81 55.372 55.372 55.664 -0.292 18484 2578 1 6 . 1 1 81 81 GLU CB C 81 32.374 32.374 30.786 1.588 18484 2579 1 6 . 1 1 81 81 GLU H H 81 8.615 8.615 8.043 0.572 18484 2580 1 6 . 1 1 82 82 ASN N N 82 124.375 124.375 121.666 2.709 18484 2581 1 6 . 1 1 82 82 ASN HA H 82 4.360 4.360 4.503 -0.143 18484 2582 1 6 . 1 1 82 82 ASN CA C 82 54.328 54.328 53.568 0.760 18484 2583 1 6 . 1 1 82 82 ASN CB C 82 37.432 37.432 37.829 -0.397 18484 2584 1 6 . 1 1 82 82 ASN H H 82 9.559 9.559 8.973 0.586 18484 2585 1 6 . 1 1 83 83 GLY N N 83 103.733 103.733 104.704 -0.971 18484 2586 1 6 . 1 1 83 83 GLY CA C 83 45.359 45.359 45.413 -0.054 18484 2587 1 6 . 1 1 83 83 GLY H H 83 8.626 8.626 8.455 0.171 18484 2588 1 6 . 1 1 84 84 LYS N N 84 121.407 121.407 119.858 1.549 18484 2589 1 6 . 1 1 84 84 LYS HA H 84 4.698 4.698 4.502 0.196 18484 2590 1 6 . 1 1 84 84 LYS CA C 84 55.182 55.182 54.969 0.213 18484 2591 1 6 . 1 1 84 84 LYS CB C 84 34.807 34.807 34.412 0.395 18484 2592 1 6 . 1 1 84 84 LYS H H 84 7.813 7.813 7.896 -0.083 18484 2593 1 6 . 1 1 85 85 THR N N 85 121.799 121.799 120.096 1.703 18484 2594 1 6 . 1 1 85 85 THR HA H 85 5.194 5.194 4.428 0.766 18484 2595 1 6 . 1 1 85 85 THR CA C 85 60.472 60.472 61.975 -1.503 18484 2596 1 6 . 1 1 85 85 THR CB C 85 69.134 69.134 69.387 -0.253 18484 2597 1 6 . 1 1 85 85 THR H H 85 8.796 8.796 8.364 0.432 18484 2598 1 6 . 1 1 86 86 THR N N 86 122.071 122.071 117.081 4.990 18484 2599 1 6 . 1 1 86 86 THR HA H 86 4.535 4.535 4.590 -0.055 18484 2600 1 6 . 1 1 86 86 THR CA C 86 59.990 59.990 60.557 -0.567 18484 2601 1 6 . 1 1 86 86 THR CB C 86 69.856 69.856 71.441 -1.585 18484 2602 1 6 . 1 1 86 86 THR H H 86 9.134 9.134 8.359 0.775 18484 2603 1 6 . 1 1 87 87 GLU N N 87 126.429 126.429 121.946 4.483 18484 2604 1 6 . 1 1 87 87 GLU HA H 87 5.030 5.030 4.602 0.428 18484 2605 1 6 . 1 1 87 87 GLU CA C 87 55.029 55.029 54.955 0.074 18484 2606 1 6 . 1 1 87 87 GLU CB C 87 31.746 31.746 29.890 1.856 18484 2607 1 6 . 1 1 87 87 GLU H H 87 8.905 8.905 8.614 0.291 18484 2608 1 6 . 1 1 88 88 THR N N 88 120.353 120.353 119.067 1.286 18484 2609 1 6 . 1 1 88 88 THR HA H 88 4.450 4.450 4.682 -0.232 18484 2610 1 6 . 1 1 88 88 THR CA C 88 60.472 60.472 60.532 -0.060 18484 2611 1 6 . 1 1 88 88 THR CB C 88 70.646 70.646 70.398 0.248 18484 2612 1 6 . 1 1 88 88 THR H H 88 9.016 9.016 8.073 0.943 18484 2613 1 6 . 1 1 89 89 VAL N N 89 128.484 128.484 125.213 3.271 18484 2614 1 6 . 1 1 89 89 VAL HA H 89 3.978 3.978 3.900 0.078 18484 2615 1 6 . 1 1 89 89 VAL CA C 89 62.471 62.471 64.083 -1.612 18484 2616 1 6 . 1 1 89 89 VAL CB C 89 31.216 31.216 31.990 -0.774 18484 2617 1 6 . 1 1 89 89 VAL H H 89 9.054 9.054 8.805 0.249 18484 2618 1 6 . 1 1 90 90 LEU N N 90 130.587 130.587 128.266 2.321 18484 2619 1 6 . 1 1 90 90 LEU HA H 90 4.325 4.325 4.625 -0.300 18484 2620 1 6 . 1 1 90 90 LEU CA C 90 56.129 56.129 55.250 0.879 18484 2621 1 6 . 1 1 90 90 LEU CB C 90 42.958 42.958 44.168 -1.210 18484 2622 1 6 . 1 1 90 90 LEU H H 90 9.426 9.426 8.536 0.890 18484 2623 1 6 . 1 1 91 91 ASP N N 91 114.928 114.928 116.916 -1.988 18484 2624 1 6 . 1 1 91 91 ASP HA H 91 4.846 4.846 4.724 0.122 18484 2625 1 6 . 1 1 91 91 ASP CA C 91 53.688 53.688 53.839 -0.151 18484 2626 1 6 . 1 1 91 91 ASP CB C 91 43.521 43.521 44.164 -0.643 18484 2627 1 6 . 1 1 91 91 ASP H H 91 7.924 7.924 7.893 0.031 18484 2628 1 6 . 1 1 92 92 SER N N 92 117.203 117.203 117.957 -0.754 18484 2629 1 6 . 1 1 92 92 SER HA H 92 5.519 5.519 2.751 2.768 18484 2630 1 6 . 1 1 92 92 SER CA C 92 56.622 56.622 56.616 0.006 18484 2631 1 6 . 1 1 92 92 SER CB C 92 63.359 63.359 65.524 -2.165 18484 2632 1 6 . 1 1 92 92 SER H H 92 8.376 8.376 8.001 0.375 18484 2633 1 6 . 1 1 93 93 GLN N N 93 122.058 122.058 120.294 1.764 18484 2634 1 6 . 1 1 93 93 GLN HA H 93 4.731 4.731 4.581 0.150 18484 2635 1 6 . 1 1 93 93 GLN CA C 93 54.781 54.781 54.213 0.568 18484 2636 1 6 . 1 1 93 93 GLN CB C 93 33.312 33.312 31.157 2.155 18484 2637 1 6 . 1 1 93 93 GLN H H 93 9.005 9.005 7.856 1.149 18484 2638 1 6 . 1 1 94 94 VAL N N 94 125.231 125.231 121.103 4.128 18484 2639 1 6 . 1 1 94 94 VAL HA H 94 4.233 4.233 4.146 0.087 18484 2640 1 6 . 1 1 94 94 VAL CA C 94 63.282 63.282 62.739 0.543 18484 2641 1 6 . 1 1 94 94 VAL CB C 94 30.906 30.906 30.748 0.158 18484 2642 1 6 . 1 1 94 94 VAL H H 94 9.085 9.085 8.519 0.566 18484 2643 1 6 . 1 1 95 95 THR N N 95 121.170 121.170 121.066 0.104 18484 2644 1 6 . 1 1 95 95 THR HA H 95 4.384 4.384 4.450 -0.066 18484 2645 1 6 . 1 1 95 95 THR CA C 95 60.953 60.953 60.871 0.082 18484 2646 1 6 . 1 1 95 95 THR CB C 95 68.653 68.653 68.561 0.092 18484 2647 1 6 . 1 1 95 95 THR H H 95 8.521 8.521 8.258 0.263 18484 2648 1 6 . 1 1 96 96 LYS N N 96 123.236 123.236 122.691 0.545 18484 2649 1 6 . 1 1 96 96 LYS HA H 96 4.418 4.418 4.078 0.340 18484 2650 1 6 . 1 1 96 96 LYS CA C 96 56.418 56.418 56.852 -0.434 18484 2651 1 6 . 1 1 96 96 LYS CB C 96 35.690 35.690 31.331 4.359 18484 2652 1 6 . 1 1 96 96 LYS H H 96 7.912 7.912 8.470 -0.558 18484 2653 1 6 . 1 1 97 97 GLU N N 97 125.835 125.835 120.367 5.468 18484 2654 1 6 . 1 1 97 97 GLU HA H 97 4.151 4.151 4.036 0.115 18484 2655 1 6 . 1 1 97 97 GLU CA C 97 56.412 56.412 57.220 -0.808 18484 2656 1 6 . 1 1 97 97 GLU CB C 97 29.948 29.948 30.382 -0.434 18484 2657 1 6 . 1 1 97 97 GLU H H 97 8.665 8.665 8.445 0.220 18484 2658 1 6 . 1 1 98 98 VAL N N 98 122.204 122.204 126.042 -3.838 18484 2659 1 6 . 1 1 98 98 VAL HA H 98 3.915 3.915 4.111 -0.196 18484 2660 1 6 . 1 1 98 98 VAL CA C 98 60.208 60.208 63.170 -2.962 18484 2661 1 6 . 1 1 98 98 VAL CB C 98 33.692 33.692 32.509 1.183 18484 2662 1 6 . 1 1 98 98 VAL H H 98 8.339 8.339 8.382 -0.043 18484 2663 1 6 . 1 1 99 99 ILE N N 99 127.874 127.874 130.362 -2.488 18484 2664 1 6 . 1 1 99 99 ILE HA H 99 4.197 4.197 3.981 0.216 18484 2665 1 6 . 1 1 99 99 ILE CA C 99 60.606 60.606 61.594 -0.988 18484 2666 1 6 . 1 1 99 99 ILE CB C 99 39.186 39.186 38.327 0.859 18484 2667 1 6 . 1 1 99 99 ILE H H 99 8.608 8.608 8.090 0.518 18484 2668 1 6 . 1 1 100 100 ASN N N 100 123.343 123.343 126.607 -3.264 18484 2669 1 6 . 1 1 100 100 ASN HA H 100 4.914 4.914 4.823 0.091 18484 2670 1 6 . 1 1 100 100 ASN CA C 100 53.704 53.704 52.472 1.232 18484 2671 1 6 . 1 1 100 100 ASN CB C 100 37.731 37.731 39.360 -1.629 18484 2672 1 6 . 1 1 100 100 ASN H H 100 8.446 8.446 8.536 -0.090 18484 2673 1 6 . 1 1 101 101 GLN N N 101 120.980 120.980 122.121 -1.141 18484 2674 1 6 . 1 1 101 101 GLN HA H 101 4.325 4.325 4.292 0.033 18484 2675 1 6 . 1 1 101 101 GLN CA C 101 54.659 54.659 56.865 -2.206 18484 2676 1 6 . 1 1 101 101 GLN CB C 101 31.616 31.616 29.712 1.904 18484 2677 1 6 . 1 1 101 101 GLN H H 101 8.254 8.254 8.632 -0.378 18484 2678 1 6 . 1 1 102 102 VAL N N 102 127.057 127.057 124.775 2.282 18484 2679 1 6 . 1 1 102 102 VAL HA H 102 4.965 4.965 4.277 0.688 18484 2680 1 6 . 1 1 102 102 VAL CA C 102 60.264 60.264 61.668 -1.404 18484 2681 1 6 . 1 1 102 102 VAL CB C 102 33.626 33.626 33.101 0.525 18484 2682 1 6 . 1 1 102 102 VAL H H 102 8.742 8.742 8.144 0.598 18484 2683 1 6 . 1 1 103 103 VAL N N 103 127.794 127.794 122.345 5.449 18484 2684 1 6 . 1 1 103 103 VAL HA H 103 4.812 4.812 5.054 -0.242 18484 2685 1 6 . 1 1 103 103 VAL CA C 103 58.547 58.547 59.721 -1.174 18484 2686 1 6 . 1 1 103 103 VAL CB C 103 35.718 35.718 32.519 3.199 18484 2687 1 6 . 1 1 103 103 VAL H H 103 9.160 9.160 7.832 1.328 18484 2688 1 6 . 1 1 104 104 GLU N N 104 125.160 125.160 127.850 -2.690 18484 2689 1 6 . 1 1 104 104 GLU HA H 104 5.513 5.513 4.523 0.990 18484 2690 1 6 . 1 1 104 104 GLU CA C 104 53.721 53.721 55.641 -1.920 18484 2691 1 6 . 1 1 104 104 GLU CB C 104 32.383 32.383 29.812 2.571 18484 2692 1 6 . 1 1 104 104 GLU H H 104 9.085 9.085 8.136 0.949 18484 2693 1 6 . 1 1 105 105 VAL N N 105 117.602 117.602 120.389 -2.787 18484 2694 1 6 . 1 1 105 105 VAL HA H 105 5.241 5.241 5.354 -0.113 18484 2695 1 6 . 1 1 105 105 VAL CA C 105 57.055 57.055 59.135 -2.080 18484 2696 1 6 . 1 1 105 105 VAL CB C 105 35.204 35.204 33.408 1.796 18484 2697 1 6 . 1 1 105 105 VAL H H 105 8.536 8.536 8.270 0.266 18484 2698 1 6 . 1 1 106 106 GLY N N 106 111.023 111.023 113.271 -2.248 18484 2699 1 6 . 1 1 106 106 GLY CA C 106 46.117 46.117 44.882 1.235 18484 2700 1 6 . 1 1 106 106 GLY H H 106 8.635 8.635 8.323 0.312 18484 2701 1 6 . 1 1 107 107 ALA N N 107 127.369 127.369 125.424 1.945 18484 2702 1 6 . 1 1 107 107 ALA HA H 107 4.515 4.515 4.526 -0.011 18484 2703 1 6 . 1 1 107 107 ALA CA C 107 50.477 50.477 51.228 -0.751 18484 2704 1 6 . 1 1 107 107 ALA CB C 107 19.924 19.924 20.160 -0.236 18484 2705 1 6 . 1 1 107 107 ALA H H 107 7.929 7.929 7.802 0.127 18484 2706 1 6 . 1 1 108 108 PRO HA H 108 4.494 4.494 4.529 -0.035 18484 2707 1 6 . 1 1 108 108 PRO CA C 108 61.698 61.698 63.178 -1.480 18484 2708 1 6 . 1 1 108 108 PRO CB C 108 31.900 31.900 31.787 0.113 18484 2709 1 6 . 1 1 109 109 VAL N N 109 119.821 119.821 120.848 -1.027 18484 2710 1 6 . 1 1 109 109 VAL HA H 109 4.092 4.092 4.353 -0.261 18484 2711 1 6 . 1 1 109 109 VAL CA C 109 60.949 60.949 62.643 -1.694 18484 2712 1 6 . 1 1 109 109 VAL CB C 109 32.389 32.389 32.723 -0.334 18484 2713 1 6 . 1 1 109 109 VAL H H 109 8.303 8.303 8.607 -0.304 18484 2714 1 6 . 1 1 110 110 THR N N 110 118.171 118.171 114.188 3.983 18484 2715 1 6 . 1 1 110 110 THR HA H 110 4.338 4.338 4.316 0.022 18484 2716 1 6 . 1 1 110 110 THR CA C 110 59.028 59.028 61.503 -2.475 18484 2717 1 6 . 1 1 110 110 THR CB C 110 67.676 67.676 69.515 -1.839 18484 2718 1 6 . 1 1 110 110 THR H H 110 8.209 8.209 7.970 0.239 18484 2719 1 7 . 1 1 2 2 GLY N N 2 110.403 110.403 110.329 0.074 18484 2720 1 7 . 1 1 2 2 GLY H H 2 8.459 8.459 9.001 -0.542 18484 2721 1 7 . 1 1 10 10 SER HA H 10 4.435 4.435 4.524 -0.089 18484 2722 1 7 . 1 1 11 11 SER CA C 11 57.649 57.649 57.964 -0.315 18484 2723 1 7 . 1 1 11 11 SER CB C 11 62.672 62.672 62.954 -0.282 18484 2724 1 7 . 1 1 12 12 GLY N N 12 110.471 110.471 114.144 -3.673 18484 2725 1 7 . 1 1 12 12 GLY CA C 12 45.312 45.312 44.801 0.511 18484 2726 1 7 . 1 1 12 12 GLY H H 12 8.365 8.365 7.965 0.400 18484 2727 1 7 . 1 1 13 13 LEU N N 13 121.432 121.432 122.012 -0.580 18484 2728 1 7 . 1 1 13 13 LEU HA H 13 4.327 4.327 4.678 -0.351 18484 2729 1 7 . 1 1 13 13 LEU CA C 13 55.573 55.573 54.485 1.088 18484 2730 1 7 . 1 1 13 13 LEU CB C 13 42.428 42.428 42.234 0.194 18484 2731 1 7 . 1 1 13 13 LEU H H 13 8.024 8.024 8.244 -0.220 18484 2732 1 7 . 1 1 14 14 VAL N N 14 122.309 122.309 121.703 0.606 18484 2733 1 7 . 1 1 14 14 VAL H H 14 8.062 8.062 7.956 0.106 18484 2734 1 7 . 1 1 16 16 ARG N N 16 121.951 121.951 122.959 -1.008 18484 2735 1 7 . 1 1 16 16 ARG HA H 16 4.312 4.312 4.416 -0.104 18484 2736 1 7 . 1 1 16 16 ARG CA C 16 56.102 56.102 55.885 0.217 18484 2737 1 7 . 1 1 16 16 ARG CB C 16 30.891 30.891 30.482 0.409 18484 2738 1 7 . 1 1 16 16 ARG H H 16 8.465 8.465 8.762 -0.297 18484 2739 1 7 . 1 1 20 20 MET HA H 20 4.435 4.435 4.487 -0.052 18484 2740 1 7 . 1 1 20 20 MET CA C 20 55.500 55.500 56.172 -0.672 18484 2741 1 7 . 1 1 20 20 MET CB C 20 32.070 32.070 32.335 -0.265 18484 2742 1 7 . 1 1 21 21 SER N N 21 117.005 117.005 119.977 -2.972 18484 2743 1 7 . 1 1 21 21 SER HA H 21 4.435 4.435 4.474 -0.039 18484 2744 1 7 . 1 1 21 21 SER CA C 21 57.066 57.066 58.570 -1.504 18484 2745 1 7 . 1 1 21 21 SER CB C 21 62.566 62.566 63.865 -1.299 18484 2746 1 7 . 1 1 21 21 SER H H 21 8.332 8.332 8.579 -0.247 18484 2747 1 7 . 1 1 22 22 LEU N N 22 124.083 124.083 119.695 4.388 18484 2748 1 7 . 1 1 22 22 LEU HA H 22 4.348 4.348 4.601 -0.253 18484 2749 1 7 . 1 1 22 22 LEU CA C 22 55.471 55.471 55.744 -0.273 18484 2750 1 7 . 1 1 22 22 LEU CB C 22 42.322 42.322 42.422 -0.100 18484 2751 1 7 . 1 1 22 22 LEU H H 22 8.340 8.340 8.296 0.044 18484 2752 1 7 . 1 1 23 23 ASP N N 23 120.867 120.867 116.567 4.300 18484 2753 1 7 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.595 -0.029 18484 2754 1 7 . 1 1 23 23 ASP CA C 23 54.687 54.687 53.880 0.807 18484 2755 1 7 . 1 1 23 23 ASP CB C 23 41.553 41.553 42.119 -0.566 18484 2756 1 7 . 1 1 23 23 ASP H H 23 8.312 8.312 7.427 0.885 18484 2757 1 7 . 1 1 24 24 GLU N N 24 121.470 121.470 118.560 2.910 18484 2758 1 7 . 1 1 24 24 GLU HA H 24 4.566 4.566 4.338 0.228 18484 2759 1 7 . 1 1 24 24 GLU CA C 24 56.921 56.921 56.398 0.523 18484 2760 1 7 . 1 1 24 24 GLU CB C 24 30.015 30.015 30.588 -0.573 18484 2761 1 7 . 1 1 24 24 GLU H H 24 8.411 8.411 8.681 -0.270 18484 2762 1 7 . 1 1 25 25 ASN N N 25 118.582 118.582 118.499 0.083 18484 2763 1 7 . 1 1 25 25 ASN HA H 25 4.707 4.707 4.458 0.249 18484 2764 1 7 . 1 1 25 25 ASN CA C 25 53.593 53.593 54.245 -0.652 18484 2765 1 7 . 1 1 25 25 ASN CB C 25 39.188 39.188 38.107 1.081 18484 2766 1 7 . 1 1 25 25 ASN H H 25 8.436 8.436 8.195 0.241 18484 2767 1 7 . 1 1 26 26 GLU N N 26 121.262 121.262 122.364 -1.102 18484 2768 1 7 . 1 1 26 26 GLU HA H 26 4.247 4.247 4.654 -0.407 18484 2769 1 7 . 1 1 26 26 GLU CA C 26 56.310 56.310 55.876 0.434 18484 2770 1 7 . 1 1 26 26 GLU CB C 26 30.342 30.342 32.712 -2.370 18484 2771 1 7 . 1 1 26 26 GLU H H 26 8.196 8.196 8.534 -0.338 18484 2772 1 7 . 1 1 27 27 VAL N N 27 121.381 121.381 119.407 1.974 18484 2773 1 7 . 1 1 27 27 VAL HA H 27 4.036 4.036 4.391 -0.355 18484 2774 1 7 . 1 1 27 27 VAL CA C 27 62.396 62.396 62.082 0.314 18484 2775 1 7 . 1 1 27 27 VAL CB C 27 32.770 32.770 31.574 1.196 18484 2776 1 7 . 1 1 27 27 VAL H H 27 8.092 8.092 8.465 -0.373 18484 2777 1 7 . 1 1 28 28 ALA N N 28 127.549 127.549 129.033 -1.484 18484 2778 1 7 . 1 1 28 28 ALA HA H 28 4.300 4.300 4.353 -0.053 18484 2779 1 7 . 1 1 28 28 ALA CA C 28 52.388 52.388 53.219 -0.831 18484 2780 1 7 . 1 1 28 28 ALA CB C 28 20.383 20.383 19.013 1.370 18484 2781 1 7 . 1 1 28 28 ALA H H 28 8.280 8.280 8.399 -0.119 18484 2782 1 7 . 1 1 29 29 ALA N N 29 122.963 122.963 122.527 0.436 18484 2783 1 7 . 1 1 29 29 ALA HA H 29 4.257 4.257 4.362 -0.105 18484 2784 1 7 . 1 1 29 29 ALA CA C 29 52.737 52.737 51.646 1.091 18484 2785 1 7 . 1 1 29 29 ALA CB C 29 20.585 20.585 18.772 1.813 18484 2786 1 7 . 1 1 29 29 ALA H H 29 8.182 8.182 8.124 0.058 18484 2787 1 7 . 1 1 30 30 ASN N N 30 117.863 117.863 116.849 1.014 18484 2788 1 7 . 1 1 30 30 ASN HA H 30 4.697 4.697 4.509 0.188 18484 2789 1 7 . 1 1 30 30 ASN CA C 30 53.107 53.107 53.477 -0.370 18484 2790 1 7 . 1 1 30 30 ASN CB C 30 38.876 38.876 38.413 0.463 18484 2791 1 7 . 1 1 30 30 ASN H H 30 8.323 8.323 8.008 0.315 18484 2792 1 7 . 1 1 31 31 VAL N N 31 120.074 120.074 120.552 -0.478 18484 2793 1 7 . 1 1 31 31 VAL HA H 31 4.131 4.131 4.060 0.071 18484 2794 1 7 . 1 1 31 31 VAL CA C 31 60.983 60.983 63.212 -2.229 18484 2795 1 7 . 1 1 31 31 VAL CB C 31 32.827 32.827 32.461 0.366 18484 2796 1 7 . 1 1 31 31 VAL H H 31 8.041 8.041 8.153 -0.112 18484 2797 1 7 . 1 1 32 32 GLU N N 32 124.378 124.378 124.253 0.125 18484 2798 1 7 . 1 1 32 32 GLU HA H 32 4.339 4.339 4.643 -0.304 18484 2799 1 7 . 1 1 32 32 GLU CA C 32 56.728 56.728 56.121 0.607 18484 2800 1 7 . 1 1 32 32 GLU CB C 32 30.439 30.439 30.320 0.119 18484 2801 1 7 . 1 1 32 32 GLU H H 32 8.487 8.487 8.761 -0.274 18484 2802 1 7 . 1 1 33 33 THR N N 33 116.772 116.772 114.914 1.858 18484 2803 1 7 . 1 1 33 33 THR HA H 33 4.312 4.312 4.403 -0.091 18484 2804 1 7 . 1 1 33 33 THR CA C 33 60.472 60.472 61.800 -1.328 18484 2805 1 7 . 1 1 33 33 THR CB C 33 68.412 68.412 70.196 -1.784 18484 2806 1 7 . 1 1 33 33 THR H H 33 8.224 8.224 7.588 0.636 18484 2807 1 7 . 1 1 34 34 ARG N N 34 124.955 124.955 122.028 2.927 18484 2808 1 7 . 1 1 34 34 ARG HA H 34 4.732 4.732 4.196 0.536 18484 2809 1 7 . 1 1 34 34 ARG CA C 34 53.635 53.635 56.158 -2.523 18484 2810 1 7 . 1 1 34 34 ARG CB C 34 30.581 30.581 29.260 1.321 18484 2811 1 7 . 1 1 34 34 ARG H H 34 8.438 8.438 8.499 -0.061 18484 2812 1 7 . 1 1 35 35 PRO HA H 35 4.667 4.667 4.371 0.296 18484 2813 1 7 . 1 1 35 35 PRO CA C 35 61.995 61.995 64.331 -2.336 18484 2814 1 7 . 1 1 35 35 PRO CB C 35 32.459 32.459 32.290 0.169 18484 2815 1 7 . 1 1 36 36 GLU N N 36 121.398 121.398 116.541 4.857 18484 2816 1 7 . 1 1 36 36 GLU HA H 36 4.509 4.509 4.461 0.048 18484 2817 1 7 . 1 1 36 36 GLU CA C 36 55.563 55.563 55.350 0.213 18484 2818 1 7 . 1 1 36 36 GLU CB C 36 31.628 31.628 30.142 1.486 18484 2819 1 7 . 1 1 36 36 GLU H H 36 8.663 8.663 8.201 0.462 18484 2820 1 7 . 1 1 37 37 LEU N N 37 125.233 125.233 124.653 0.580 18484 2821 1 7 . 1 1 37 37 LEU HA H 37 5.240 5.240 4.479 0.761 18484 2822 1 7 . 1 1 37 37 LEU CA C 37 54.120 54.120 54.579 -0.459 18484 2823 1 7 . 1 1 37 37 LEU CB C 37 42.407 42.407 42.328 0.079 18484 2824 1 7 . 1 1 37 37 LEU H H 37 8.352 8.352 8.621 -0.269 18484 2825 1 7 . 1 1 38 38 ILE N N 38 121.904 121.904 123.263 -1.359 18484 2826 1 7 . 1 1 38 38 ILE HA H 38 4.775 4.775 4.812 -0.037 18484 2827 1 7 . 1 1 38 38 ILE CA C 38 58.065 58.065 59.820 -1.755 18484 2828 1 7 . 1 1 38 38 ILE CB C 38 41.790 41.790 40.404 1.386 18484 2829 1 7 . 1 1 38 38 ILE H H 38 9.224 9.224 8.435 0.789 18484 2830 1 7 . 1 1 39 39 THR N N 39 111.692 111.692 111.573 0.119 18484 2831 1 7 . 1 1 39 39 THR HA H 39 5.443 5.443 5.032 0.411 18484 2832 1 7 . 1 1 39 39 THR CA C 39 57.825 57.825 61.026 -3.201 18484 2833 1 7 . 1 1 39 39 THR CB C 39 70.337 70.337 71.074 -0.737 18484 2834 1 7 . 1 1 39 39 THR H H 39 8.077 8.077 8.260 -0.183 18484 2835 1 7 . 1 1 40 40 ARG N N 40 121.666 121.666 120.351 1.315 18484 2836 1 7 . 1 1 40 40 ARG HA H 40 4.707 4.707 4.606 0.101 18484 2837 1 7 . 1 1 40 40 ARG CA C 40 55.674 55.674 55.405 0.269 18484 2838 1 7 . 1 1 40 40 ARG CB C 40 34.932 34.932 32.380 2.552 18484 2839 1 7 . 1 1 40 40 ARG H H 40 8.558 8.558 8.992 -0.434 18484 2840 1 7 . 1 1 41 41 THR N N 41 115.335 115.335 120.123 -4.788 18484 2841 1 7 . 1 1 41 41 THR HA H 41 5.345 5.345 4.883 0.462 18484 2842 1 7 . 1 1 41 41 THR CA C 41 59.028 59.028 61.391 -2.363 18484 2843 1 7 . 1 1 41 41 THR CB C 41 70.332 70.332 69.950 0.382 18484 2844 1 7 . 1 1 41 41 THR H H 41 8.532 8.532 8.675 -0.143 18484 2845 1 7 . 1 1 42 42 GLU N N 42 122.278 122.278 128.249 -5.971 18484 2846 1 7 . 1 1 42 42 GLU HA H 42 4.705 4.705 4.576 0.129 18484 2847 1 7 . 1 1 42 42 GLU CA C 42 54.318 54.318 54.697 -0.379 18484 2848 1 7 . 1 1 42 42 GLU CB C 42 33.984 33.984 31.444 2.541 18484 2849 1 7 . 1 1 42 42 GLU H H 42 9.049 9.049 8.309 0.740 18484 2850 1 7 . 1 1 43 43 GLU N N 43 122.782 122.782 121.861 0.921 18484 2851 1 7 . 1 1 43 43 GLU HA H 43 4.659 4.659 4.193 0.466 18484 2852 1 7 . 1 1 43 43 GLU CA C 43 56.074 56.074 56.901 -0.827 18484 2853 1 7 . 1 1 43 43 GLU CB C 43 31.559 31.559 28.621 2.938 18484 2854 1 7 . 1 1 43 43 GLU H H 43 8.722 8.722 8.576 0.146 18484 2855 1 7 . 1 1 44 44 ILE N N 44 123.255 123.255 127.129 -3.874 18484 2856 1 7 . 1 1 44 44 ILE HA H 44 4.557 4.557 4.336 0.221 18484 2857 1 7 . 1 1 44 44 ILE CA C 44 55.622 55.622 58.505 -2.882 18484 2858 1 7 . 1 1 44 44 ILE CB C 44 40.902 40.902 38.193 2.709 18484 2859 1 7 . 1 1 44 44 ILE H H 44 7.740 7.740 7.727 0.013 18484 2860 1 7 . 1 1 45 45 PRO HA H 45 4.177 4.177 4.481 -0.304 18484 2861 1 7 . 1 1 45 45 PRO CA C 45 61.978 61.978 62.174 -0.196 18484 2862 1 7 . 1 1 45 45 PRO CB C 45 32.314 32.314 32.274 0.040 18484 2863 1 7 . 1 1 46 46 PHE N N 46 114.670 114.670 118.113 -3.443 18484 2864 1 7 . 1 1 46 46 PHE HA H 46 4.913 4.913 4.673 0.240 18484 2865 1 7 . 1 1 46 46 PHE CA C 46 54.749 54.749 56.105 -1.356 18484 2866 1 7 . 1 1 46 46 PHE CB C 46 42.057 42.057 40.780 1.277 18484 2867 1 7 . 1 1 46 46 PHE H H 46 6.912 6.912 7.554 -0.642 18484 2868 1 7 . 1 1 47 47 GLU N N 47 120.217 120.217 121.009 -0.792 18484 2869 1 7 . 1 1 47 47 GLU HA H 47 4.600 4.600 4.447 0.153 18484 2870 1 7 . 1 1 47 47 GLU CA C 47 54.771 54.771 55.353 -0.582 18484 2871 1 7 . 1 1 47 47 GLU CB C 47 32.338 32.338 32.398 -0.060 18484 2872 1 7 . 1 1 47 47 GLU H H 47 8.271 8.271 8.558 -0.287 18484 2873 1 7 . 1 1 48 48 VAL N N 48 121.331 121.331 125.713 -4.382 18484 2874 1 7 . 1 1 48 48 VAL HA H 48 4.734 4.734 4.090 0.644 18484 2875 1 7 . 1 1 48 48 VAL CA C 48 61.472 61.472 62.809 -1.337 18484 2876 1 7 . 1 1 48 48 VAL CB C 48 32.699 32.699 32.275 0.424 18484 2877 1 7 . 1 1 48 48 VAL H H 48 8.625 8.625 8.447 0.178 18484 2878 1 7 . 1 1 49 49 ILE N N 49 132.310 132.310 124.744 7.566 18484 2879 1 7 . 1 1 49 49 ILE HA H 49 4.205 4.205 4.459 -0.254 18484 2880 1 7 . 1 1 49 49 ILE CA C 49 58.886 58.886 60.165 -1.279 18484 2881 1 7 . 1 1 49 49 ILE CB C 49 39.037 39.037 41.657 -2.620 18484 2882 1 7 . 1 1 49 49 ILE H H 49 9.505 9.505 8.140 1.365 18484 2883 1 7 . 1 1 50 50 LYS N N 50 125.764 125.764 122.338 3.426 18484 2884 1 7 . 1 1 50 50 LYS HA H 50 5.284 5.284 4.756 0.528 18484 2885 1 7 . 1 1 50 50 LYS CA C 50 54.802 54.802 54.892 -0.090 18484 2886 1 7 . 1 1 50 50 LYS CB C 50 34.186 34.186 33.311 0.875 18484 2887 1 7 . 1 1 50 50 LYS H H 50 8.507 8.507 8.276 0.231 18484 2888 1 7 . 1 1 51 51 LYS N N 51 124.935 124.935 125.535 -0.600 18484 2889 1 7 . 1 1 51 51 LYS HA H 51 4.608 4.608 4.519 0.089 18484 2890 1 7 . 1 1 51 51 LYS CA C 51 54.006 54.006 55.052 -1.046 18484 2891 1 7 . 1 1 51 51 LYS CB C 51 34.756 34.756 34.866 -0.110 18484 2892 1 7 . 1 1 51 51 LYS H H 51 9.066 9.066 8.072 0.994 18484 2893 1 7 . 1 1 52 52 GLU N N 52 124.186 124.186 120.282 3.904 18484 2894 1 7 . 1 1 52 52 GLU HA H 52 4.621 4.621 5.112 -0.491 18484 2895 1 7 . 1 1 52 52 GLU CA C 52 55.931 55.931 54.728 1.203 18484 2896 1 7 . 1 1 52 52 GLU CB C 52 31.036 31.036 32.069 -1.033 18484 2897 1 7 . 1 1 52 52 GLU H H 52 8.777 8.777 8.340 0.437 18484 2898 1 7 . 1 1 53 53 ASN N N 53 121.687 121.687 122.136 -0.449 18484 2899 1 7 . 1 1 53 53 ASN HA H 53 5.240 5.240 5.182 0.058 18484 2900 1 7 . 1 1 53 53 ASN CA C 53 49.409 49.409 50.179 -0.770 18484 2901 1 7 . 1 1 53 53 ASN CB C 53 40.473 40.473 41.163 -0.690 18484 2902 1 7 . 1 1 53 53 ASN H H 53 8.890 8.890 8.842 0.048 18484 2903 1 7 . 1 1 54 54 PRO HA H 54 4.587 4.587 4.703 -0.116 18484 2904 1 7 . 1 1 54 54 PRO CA C 54 62.650 62.650 64.623 -1.972 18484 2905 1 7 . 1 1 54 54 PRO CB C 54 32.219 32.219 32.475 -0.256 18484 2906 1 7 . 1 1 55 55 ASN N N 55 115.629 115.629 115.749 -0.120 18484 2907 1 7 . 1 1 55 55 ASN HA H 55 4.695 4.695 4.490 0.205 18484 2908 1 7 . 1 1 55 55 ASN CA C 55 53.685 53.685 54.733 -1.048 18484 2909 1 7 . 1 1 55 55 ASN CB C 55 39.137 39.137 38.786 0.351 18484 2910 1 7 . 1 1 55 55 ASN H H 55 8.422 8.422 8.208 0.214 18484 2911 1 7 . 1 1 56 56 LEU N N 56 121.277 121.277 119.647 1.630 18484 2912 1 7 . 1 1 56 56 LEU HA H 56 4.686 4.686 4.220 0.466 18484 2913 1 7 . 1 1 56 56 LEU CA C 56 52.145 52.145 54.212 -2.067 18484 2914 1 7 . 1 1 56 56 LEU CB C 56 42.456 42.456 41.741 0.715 18484 2915 1 7 . 1 1 56 56 LEU H H 56 7.278 7.278 7.458 -0.180 18484 2916 1 7 . 1 1 57 57 PRO HA H 57 4.298 4.298 4.446 -0.147 18484 2917 1 7 . 1 1 57 57 PRO CA C 57 61.332 61.332 62.291 -0.959 18484 2918 1 7 . 1 1 57 57 PRO CB C 57 32.232 32.232 31.143 1.089 18484 2919 1 7 . 1 1 58 58 ALA N N 58 123.896 123.896 121.663 2.233 18484 2920 1 7 . 1 1 58 58 ALA HA H 58 3.892 3.892 4.056 -0.164 18484 2921 1 7 . 1 1 58 58 ALA CA C 58 53.559 53.559 52.778 0.781 18484 2922 1 7 . 1 1 58 58 ALA CB C 58 19.480 19.480 18.450 1.030 18484 2923 1 7 . 1 1 58 58 ALA H H 58 8.263 8.263 7.717 0.546 18484 2924 1 7 . 1 1 59 59 GLY N N 59 110.843 110.843 109.926 0.917 18484 2925 1 7 . 1 1 59 59 GLY CA C 59 45.339 45.339 45.523 -0.184 18484 2926 1 7 . 1 1 59 59 GLY H H 59 8.755 8.755 8.560 0.195 18484 2927 1 7 . 1 1 60 60 GLN N N 60 121.444 121.444 119.031 2.413 18484 2928 1 7 . 1 1 60 60 GLN HA H 60 4.251 4.251 4.558 -0.307 18484 2929 1 7 . 1 1 60 60 GLN CA C 60 56.080 56.080 54.850 1.230 18484 2930 1 7 . 1 1 60 60 GLN CB C 60 29.876 29.876 30.927 -1.051 18484 2931 1 7 . 1 1 60 60 GLN H H 60 7.877 7.877 7.933 -0.056 18484 2932 1 7 . 1 1 61 61 GLU N N 61 123.364 123.364 124.623 -1.259 18484 2933 1 7 . 1 1 61 61 GLU HA H 61 5.241 5.241 5.196 0.045 18484 2934 1 7 . 1 1 61 61 GLU CA C 61 55.012 55.012 55.053 -0.041 18484 2935 1 7 . 1 1 61 61 GLU CB C 61 32.368 32.368 32.502 -0.134 18484 2936 1 7 . 1 1 61 61 GLU H H 61 8.419 8.419 8.666 -0.247 18484 2937 1 7 . 1 1 62 62 ASN N N 62 121.499 121.499 121.879 -0.380 18484 2938 1 7 . 1 1 62 62 ASN HA H 62 5.078 5.078 4.964 0.114 18484 2939 1 7 . 1 1 62 62 ASN CA C 62 51.617 51.617 51.679 -0.062 18484 2940 1 7 . 1 1 62 62 ASN CB C 62 40.999 40.999 40.561 0.438 18484 2941 1 7 . 1 1 62 62 ASN H H 62 9.164 9.164 8.441 0.723 18484 2942 1 7 . 1 1 63 63 ILE N N 63 125.976 125.976 121.639 4.337 18484 2943 1 7 . 1 1 63 63 ILE HA H 63 3.979 3.979 4.205 -0.226 18484 2944 1 7 . 1 1 63 63 ILE CA C 63 61.650 61.650 59.794 1.856 18484 2945 1 7 . 1 1 63 63 ILE CB C 63 37.404 37.404 35.904 1.500 18484 2946 1 7 . 1 1 63 63 ILE H H 63 9.032 9.032 8.643 0.389 18484 2947 1 7 . 1 1 64 64 ILE N N 64 130.073 130.073 129.528 0.545 18484 2948 1 7 . 1 1 64 64 ILE HA H 64 4.139 4.139 4.014 0.125 18484 2949 1 7 . 1 1 64 64 ILE CA C 64 60.699 60.699 62.501 -1.802 18484 2950 1 7 . 1 1 64 64 ILE CB C 64 38.029 38.029 37.871 0.158 18484 2951 1 7 . 1 1 64 64 ILE H H 64 8.876 8.876 9.114 -0.238 18484 2952 1 7 . 1 1 65 65 THR N N 65 116.771 116.771 113.898 2.873 18484 2953 1 7 . 1 1 65 65 THR HA H 65 4.349 4.349 4.388 -0.039 18484 2954 1 7 . 1 1 65 65 THR CA C 65 60.066 60.066 61.560 -1.494 18484 2955 1 7 . 1 1 65 65 THR CB C 65 71.059 71.059 69.480 1.579 18484 2956 1 7 . 1 1 65 65 THR H H 65 7.699 7.699 7.460 0.239 18484 2957 1 7 . 1 1 66 66 ALA N N 66 130.117 130.117 127.711 2.406 18484 2958 1 7 . 1 1 66 66 ALA HA H 66 3.928 3.928 4.113 -0.185 18484 2959 1 7 . 1 1 66 66 ALA CA C 66 51.617 51.617 52.664 -1.047 18484 2960 1 7 . 1 1 66 66 ALA CB C 66 19.653 19.653 19.154 0.499 18484 2961 1 7 . 1 1 66 66 ALA H H 66 8.579 8.579 8.247 0.332 18484 2962 1 7 . 1 1 67 67 GLY N N 67 107.619 107.619 111.816 -4.197 18484 2963 1 7 . 1 1 67 67 GLY CA C 67 43.606 43.606 44.521 -0.915 18484 2964 1 7 . 1 1 67 67 GLY H H 67 8.387 8.387 8.080 0.307 18484 2965 1 7 . 1 1 68 68 VAL N N 68 123.776 123.776 123.601 0.175 18484 2966 1 7 . 1 1 68 68 VAL HA H 68 4.124 4.124 4.019 0.105 18484 2967 1 7 . 1 1 68 68 VAL CA C 68 60.443 60.443 59.342 1.101 18484 2968 1 7 . 1 1 68 68 VAL CB C 68 34.972 34.972 35.570 -0.598 18484 2969 1 7 . 1 1 68 68 VAL H H 68 8.966 8.966 8.317 0.649 18484 2970 1 7 . 1 1 69 69 LYS N N 69 125.803 125.803 125.508 0.295 18484 2971 1 7 . 1 1 69 69 LYS HA H 69 4.448 4.448 4.438 0.010 18484 2972 1 7 . 1 1 69 69 LYS CA C 69 57.012 57.012 57.537 -0.525 18484 2973 1 7 . 1 1 69 69 LYS CB C 69 33.410 33.410 31.940 1.470 18484 2974 1 7 . 1 1 69 69 LYS H H 69 8.799 8.799 8.860 -0.061 18484 2975 1 7 . 1 1 70 70 GLY N N 70 108.188 108.188 113.386 -5.198 18484 2976 1 7 . 1 1 70 70 GLY CA C 70 43.549 43.549 44.226 -0.677 18484 2977 1 7 . 1 1 70 70 GLY H H 70 8.858 8.858 8.314 0.544 18484 2978 1 7 . 1 1 71 71 GLU N N 71 123.030 123.030 118.610 4.420 18484 2979 1 7 . 1 1 71 71 GLU HA H 71 5.059 5.059 4.610 0.449 18484 2980 1 7 . 1 1 71 71 GLU CA C 71 56.146 56.146 56.327 -0.181 18484 2981 1 7 . 1 1 71 71 GLU CB C 71 36.142 36.142 34.177 1.965 18484 2982 1 7 . 1 1 71 71 GLU H H 71 9.538 9.538 8.447 1.091 18484 2983 1 7 . 1 1 72 72 ARG N N 72 126.426 126.426 123.431 2.995 18484 2984 1 7 . 1 1 72 72 ARG HA H 72 5.059 5.059 4.857 0.202 18484 2985 1 7 . 1 1 72 72 ARG CA C 72 54.001 54.001 55.119 -1.118 18484 2986 1 7 . 1 1 72 72 ARG CB C 72 33.500 33.500 33.492 0.008 18484 2987 1 7 . 1 1 72 72 ARG H H 72 9.191 9.191 8.432 0.759 18484 2988 1 7 . 1 1 73 73 THR N N 73 120.983 120.983 125.487 -4.504 18484 2989 1 7 . 1 1 73 73 THR HA H 73 4.522 4.522 4.448 0.074 18484 2990 1 7 . 1 1 73 73 THR CA C 73 60.953 60.953 64.292 -3.339 18484 2991 1 7 . 1 1 73 73 THR CB C 73 68.412 68.412 69.442 -1.030 18484 2992 1 7 . 1 1 73 73 THR H H 73 9.249 9.249 8.644 0.605 18484 2993 1 7 . 1 1 74 74 HIS N N 74 125.685 125.685 126.204 -0.519 18484 2994 1 7 . 1 1 74 74 HIS HA H 74 5.153 5.153 4.510 0.643 18484 2995 1 7 . 1 1 74 74 HIS CA C 74 54.487 54.487 55.382 -0.895 18484 2996 1 7 . 1 1 74 74 HIS CB C 74 32.997 32.997 31.113 1.884 18484 2997 1 7 . 1 1 74 74 HIS H H 74 9.056 9.056 8.563 0.493 18484 2998 1 7 . 1 1 75 75 TYR N N 75 123.688 123.688 125.513 -1.825 18484 2999 1 7 . 1 1 75 75 TYR HA H 75 4.868 4.868 4.840 0.028 18484 3000 1 7 . 1 1 75 75 TYR CA C 75 56.499 56.499 54.617 1.883 18484 3001 1 7 . 1 1 75 75 TYR CB C 75 38.425 38.425 36.454 1.971 18484 3002 1 7 . 1 1 75 75 TYR H H 75 8.945 8.945 7.654 1.291 18484 3003 1 7 . 1 1 76 76 ILE N N 76 125.717 125.717 124.504 1.213 18484 3004 1 7 . 1 1 76 76 ILE HA H 76 4.800 4.800 4.333 0.467 18484 3005 1 7 . 1 1 76 76 ILE CA C 76 58.787 58.787 60.209 -1.422 18484 3006 1 7 . 1 1 76 76 ILE CB C 76 42.034 42.034 39.051 2.983 18484 3007 1 7 . 1 1 76 76 ILE H H 76 9.079 9.079 8.130 0.949 18484 3008 1 7 . 1 1 77 77 SER N N 77 120.473 120.473 120.848 -0.375 18484 3009 1 7 . 1 1 77 77 SER HA H 77 5.183 5.183 4.652 0.531 18484 3010 1 7 . 1 1 77 77 SER CA C 77 55.930 55.930 58.553 -2.623 18484 3011 1 7 . 1 1 77 77 SER CB C 77 63.118 63.118 63.843 -0.725 18484 3012 1 7 . 1 1 77 77 SER H H 77 9.047 9.047 8.428 0.619 18484 3013 1 7 . 1 1 78 78 VAL N N 78 128.488 128.488 127.668 0.820 18484 3014 1 7 . 1 1 78 78 VAL HA H 78 4.729 4.729 4.145 0.584 18484 3015 1 7 . 1 1 78 78 VAL CA C 78 60.517 60.517 62.779 -2.262 18484 3016 1 7 . 1 1 78 78 VAL CB C 78 33.685 33.685 31.749 1.936 18484 3017 1 7 . 1 1 78 78 VAL H H 78 9.301 9.301 8.105 1.196 18484 3018 1 7 . 1 1 79 79 LEU N N 79 129.698 129.698 130.595 -0.897 18484 3019 1 7 . 1 1 79 79 LEU HA H 79 4.783 4.783 4.812 -0.029 18484 3020 1 7 . 1 1 79 79 LEU CA C 79 53.873 53.873 53.696 0.177 18484 3021 1 7 . 1 1 79 79 LEU CB C 79 45.605 45.605 45.760 -0.154 18484 3022 1 7 . 1 1 79 79 LEU H H 79 8.553 8.553 7.905 0.648 18484 3023 1 7 . 1 1 80 80 THR N N 80 123.276 123.276 123.694 -0.418 18484 3024 1 7 . 1 1 80 80 THR HA H 80 5.096 5.096 4.808 0.288 18484 3025 1 7 . 1 1 80 80 THR CA C 80 60.231 60.231 62.867 -2.635 18484 3026 1 7 . 1 1 80 80 THR CB C 80 68.171 68.171 69.446 -1.275 18484 3027 1 7 . 1 1 80 80 THR H H 80 8.754 8.754 8.731 0.023 18484 3028 1 7 . 1 1 81 81 GLU N N 81 125.405 125.405 128.168 -2.763 18484 3029 1 7 . 1 1 81 81 GLU HA H 81 4.530 4.530 4.497 0.033 18484 3030 1 7 . 1 1 81 81 GLU CA C 81 55.372 55.372 55.435 -0.063 18484 3031 1 7 . 1 1 81 81 GLU CB C 81 32.374 32.374 30.570 1.804 18484 3032 1 7 . 1 1 81 81 GLU H H 81 8.615 8.615 8.706 -0.091 18484 3033 1 7 . 1 1 82 82 ASN N N 82 124.375 124.375 122.156 2.219 18484 3034 1 7 . 1 1 82 82 ASN HA H 82 4.360 4.360 4.490 -0.130 18484 3035 1 7 . 1 1 82 82 ASN CA C 82 54.328 54.328 53.805 0.523 18484 3036 1 7 . 1 1 82 82 ASN CB C 82 37.432 37.432 37.367 0.065 18484 3037 1 7 . 1 1 82 82 ASN H H 82 9.559 9.559 9.059 0.500 18484 3038 1 7 . 1 1 83 83 GLY N N 83 103.733 103.733 104.362 -0.629 18484 3039 1 7 . 1 1 83 83 GLY CA C 83 45.359 45.359 45.008 0.352 18484 3040 1 7 . 1 1 83 83 GLY H H 83 8.626 8.626 8.426 0.200 18484 3041 1 7 . 1 1 84 84 LYS N N 84 121.407 121.407 119.317 2.090 18484 3042 1 7 . 1 1 84 84 LYS HA H 84 4.698 4.698 4.559 0.139 18484 3043 1 7 . 1 1 84 84 LYS CA C 84 55.182 55.182 54.413 0.769 18484 3044 1 7 . 1 1 84 84 LYS CB C 84 34.807 34.807 34.876 -0.069 18484 3045 1 7 . 1 1 84 84 LYS H H 84 7.813 7.813 7.855 -0.042 18484 3046 1 7 . 1 1 85 85 THR N N 85 121.799 121.799 124.019 -2.220 18484 3047 1 7 . 1 1 85 85 THR HA H 85 5.194 5.194 4.646 0.548 18484 3048 1 7 . 1 1 85 85 THR CA C 85 60.472 60.472 62.664 -2.192 18484 3049 1 7 . 1 1 85 85 THR CB C 85 69.134 69.134 68.392 0.742 18484 3050 1 7 . 1 1 85 85 THR H H 85 8.796 8.796 8.698 0.098 18484 3051 1 7 . 1 1 86 86 THR N N 86 122.071 122.071 121.877 0.194 18484 3052 1 7 . 1 1 86 86 THR HA H 86 4.535 4.535 4.317 0.218 18484 3053 1 7 . 1 1 86 86 THR CA C 86 59.990 59.990 63.157 -3.167 18484 3054 1 7 . 1 1 86 86 THR CB C 86 69.856 69.856 69.343 0.513 18484 3055 1 7 . 1 1 86 86 THR H H 86 9.134 9.134 8.848 0.286 18484 3056 1 7 . 1 1 87 87 GLU N N 87 126.429 126.429 125.333 1.096 18484 3057 1 7 . 1 1 87 87 GLU HA H 87 5.030 5.030 4.593 0.437 18484 3058 1 7 . 1 1 87 87 GLU CA C 87 55.029 55.029 54.618 0.411 18484 3059 1 7 . 1 1 87 87 GLU CB C 87 31.746 31.746 29.345 2.401 18484 3060 1 7 . 1 1 87 87 GLU H H 87 8.905 8.905 8.536 0.369 18484 3061 1 7 . 1 1 88 88 THR N N 88 120.353 120.353 118.617 1.736 18484 3062 1 7 . 1 1 88 88 THR HA H 88 4.450 4.450 4.523 -0.073 18484 3063 1 7 . 1 1 88 88 THR CA C 88 60.472 60.472 61.576 -1.104 18484 3064 1 7 . 1 1 88 88 THR CB C 88 70.646 70.646 71.493 -0.847 18484 3065 1 7 . 1 1 88 88 THR H H 88 9.016 9.016 8.206 0.810 18484 3066 1 7 . 1 1 89 89 VAL N N 89 128.484 128.484 127.148 1.336 18484 3067 1 7 . 1 1 89 89 VAL HA H 89 3.978 3.978 4.325 -0.347 18484 3068 1 7 . 1 1 89 89 VAL CA C 89 62.471 62.471 61.653 0.818 18484 3069 1 7 . 1 1 89 89 VAL CB C 89 31.216 31.216 32.691 -1.475 18484 3070 1 7 . 1 1 89 89 VAL H H 89 9.054 9.054 8.805 0.249 18484 3071 1 7 . 1 1 90 90 LEU N N 90 130.587 130.587 122.322 8.265 18484 3072 1 7 . 1 1 90 90 LEU HA H 90 4.325 4.325 4.821 -0.496 18484 3073 1 7 . 1 1 90 90 LEU CA C 90 56.129 56.129 54.496 1.633 18484 3074 1 7 . 1 1 90 90 LEU CB C 90 42.958 42.958 43.498 -0.540 18484 3075 1 7 . 1 1 90 90 LEU H H 90 9.426 9.426 8.507 0.919 18484 3076 1 7 . 1 1 91 91 ASP N N 91 114.928 114.928 119.436 -4.508 18484 3077 1 7 . 1 1 91 91 ASP HA H 91 4.846 4.846 4.584 0.262 18484 3078 1 7 . 1 1 91 91 ASP CA C 91 53.688 53.688 54.740 -1.052 18484 3079 1 7 . 1 1 91 91 ASP CB C 91 43.521 43.521 43.320 0.201 18484 3080 1 7 . 1 1 91 91 ASP H H 91 7.924 7.924 7.799 0.125 18484 3081 1 7 . 1 1 92 92 SER N N 92 117.203 117.203 118.468 -1.265 18484 3082 1 7 . 1 1 92 92 SER HA H 92 5.519 5.519 2.861 2.658 18484 3083 1 7 . 1 1 92 92 SER CA C 92 56.622 56.622 56.841 -0.219 18484 3084 1 7 . 1 1 92 92 SER CB C 92 63.359 63.359 64.870 -1.511 18484 3085 1 7 . 1 1 92 92 SER H H 92 8.376 8.376 7.899 0.477 18484 3086 1 7 . 1 1 93 93 GLN N N 93 122.058 122.058 122.414 -0.356 18484 3087 1 7 . 1 1 93 93 GLN HA H 93 4.731 4.731 4.461 0.270 18484 3088 1 7 . 1 1 93 93 GLN CA C 93 54.781 54.781 54.432 0.349 18484 3089 1 7 . 1 1 93 93 GLN CB C 93 33.312 33.312 30.939 2.373 18484 3090 1 7 . 1 1 93 93 GLN H H 93 9.005 9.005 8.151 0.854 18484 3091 1 7 . 1 1 94 94 VAL N N 94 125.231 125.231 120.587 4.644 18484 3092 1 7 . 1 1 94 94 VAL HA H 94 4.233 4.233 4.063 0.170 18484 3093 1 7 . 1 1 94 94 VAL CA C 94 63.282 63.282 62.491 0.791 18484 3094 1 7 . 1 1 94 94 VAL CB C 94 30.906 30.906 31.441 -0.534 18484 3095 1 7 . 1 1 94 94 VAL H H 94 9.085 9.085 8.525 0.560 18484 3096 1 7 . 1 1 95 95 THR N N 95 121.170 121.170 121.347 -0.177 18484 3097 1 7 . 1 1 95 95 THR HA H 95 4.384 4.384 4.453 -0.069 18484 3098 1 7 . 1 1 95 95 THR CA C 95 60.953 60.953 61.031 -0.078 18484 3099 1 7 . 1 1 95 95 THR CB C 95 68.653 68.653 68.438 0.215 18484 3100 1 7 . 1 1 95 95 THR H H 95 8.521 8.521 8.464 0.057 18484 3101 1 7 . 1 1 96 96 LYS N N 96 123.236 123.236 122.206 1.030 18484 3102 1 7 . 1 1 96 96 LYS HA H 96 4.418 4.418 4.067 0.351 18484 3103 1 7 . 1 1 96 96 LYS CA C 96 56.418 56.418 56.759 -0.341 18484 3104 1 7 . 1 1 96 96 LYS CB C 96 35.690 35.690 31.451 4.239 18484 3105 1 7 . 1 1 96 96 LYS H H 96 7.912 7.912 8.513 -0.601 18484 3106 1 7 . 1 1 97 97 GLU N N 97 125.835 125.835 119.250 6.585 18484 3107 1 7 . 1 1 97 97 GLU HA H 97 4.151 4.151 4.030 0.121 18484 3108 1 7 . 1 1 97 97 GLU CA C 97 56.412 56.412 57.795 -1.383 18484 3109 1 7 . 1 1 97 97 GLU CB C 97 29.948 29.948 30.291 -0.343 18484 3110 1 7 . 1 1 97 97 GLU H H 97 8.665 8.665 8.312 0.353 18484 3111 1 7 . 1 1 98 98 VAL N N 98 122.204 122.204 124.571 -2.367 18484 3112 1 7 . 1 1 98 98 VAL HA H 98 3.915 3.915 4.200 -0.285 18484 3113 1 7 . 1 1 98 98 VAL CA C 98 60.208 60.208 62.809 -2.601 18484 3114 1 7 . 1 1 98 98 VAL CB C 98 33.692 33.692 32.666 1.026 18484 3115 1 7 . 1 1 98 98 VAL H H 98 8.339 8.339 8.258 0.081 18484 3116 1 7 . 1 1 99 99 ILE N N 99 127.874 127.874 129.708 -1.834 18484 3117 1 7 . 1 1 99 99 ILE HA H 99 4.197 4.197 4.204 -0.007 18484 3118 1 7 . 1 1 99 99 ILE CA C 99 60.606 60.606 58.967 1.639 18484 3119 1 7 . 1 1 99 99 ILE CB C 99 39.186 39.186 37.332 1.854 18484 3120 1 7 . 1 1 99 99 ILE H H 99 8.608 8.608 8.281 0.327 18484 3121 1 7 . 1 1 100 100 ASN N N 100 123.343 123.343 125.823 -2.480 18484 3122 1 7 . 1 1 100 100 ASN HA H 100 4.914 4.914 4.869 0.045 18484 3123 1 7 . 1 1 100 100 ASN CA C 100 53.704 53.704 51.730 1.974 18484 3124 1 7 . 1 1 100 100 ASN CB C 100 37.731 37.731 39.302 -1.571 18484 3125 1 7 . 1 1 100 100 ASN H H 100 8.446 8.446 8.540 -0.094 18484 3126 1 7 . 1 1 101 101 GLN N N 101 120.980 120.980 121.271 -0.291 18484 3127 1 7 . 1 1 101 101 GLN HA H 101 4.325 4.325 4.332 -0.007 18484 3128 1 7 . 1 1 101 101 GLN CA C 101 54.659 54.659 56.853 -2.194 18484 3129 1 7 . 1 1 101 101 GLN CB C 101 31.616 31.616 29.477 2.139 18484 3130 1 7 . 1 1 101 101 GLN H H 101 8.254 8.254 8.622 -0.368 18484 3131 1 7 . 1 1 102 102 VAL N N 102 127.057 127.057 127.627 -0.570 18484 3132 1 7 . 1 1 102 102 VAL HA H 102 4.965 4.965 4.338 0.627 18484 3133 1 7 . 1 1 102 102 VAL CA C 102 60.264 60.264 61.009 -0.745 18484 3134 1 7 . 1 1 102 102 VAL CB C 102 33.626 33.626 32.407 1.219 18484 3135 1 7 . 1 1 102 102 VAL H H 102 8.742 8.742 8.166 0.576 18484 3136 1 7 . 1 1 103 103 VAL N N 103 127.794 127.794 126.705 1.089 18484 3137 1 7 . 1 1 103 103 VAL HA H 103 4.812 4.812 5.063 -0.251 18484 3138 1 7 . 1 1 103 103 VAL CA C 103 58.547 58.547 59.381 -0.834 18484 3139 1 7 . 1 1 103 103 VAL CB C 103 35.718 35.718 35.121 0.597 18484 3140 1 7 . 1 1 103 103 VAL H H 103 9.160 9.160 8.039 1.121 18484 3141 1 7 . 1 1 104 104 GLU N N 104 125.160 125.160 125.230 -0.070 18484 3142 1 7 . 1 1 104 104 GLU HA H 104 5.513 5.513 4.740 0.773 18484 3143 1 7 . 1 1 104 104 GLU CA C 104 53.721 53.721 54.925 -1.204 18484 3144 1 7 . 1 1 104 104 GLU CB C 104 32.383 32.383 31.639 0.744 18484 3145 1 7 . 1 1 104 104 GLU H H 104 9.085 9.085 8.311 0.774 18484 3146 1 7 . 1 1 105 105 VAL N N 105 117.602 117.602 124.098 -6.496 18484 3147 1 7 . 1 1 105 105 VAL HA H 105 5.241 5.241 4.793 0.448 18484 3148 1 7 . 1 1 105 105 VAL CA C 105 57.055 57.055 60.701 -3.646 18484 3149 1 7 . 1 1 105 105 VAL CB C 105 35.204 35.204 32.352 2.852 18484 3150 1 7 . 1 1 105 105 VAL H H 105 8.536 8.536 9.063 -0.527 18484 3151 1 7 . 1 1 106 106 GLY N N 106 111.023 111.023 116.075 -5.052 18484 3152 1 7 . 1 1 106 106 GLY CA C 106 46.117 46.117 45.066 1.051 18484 3153 1 7 . 1 1 106 106 GLY H H 106 8.635 8.635 8.411 0.224 18484 3154 1 7 . 1 1 107 107 ALA N N 107 127.369 127.369 127.596 -0.227 18484 3155 1 7 . 1 1 107 107 ALA HA H 107 4.515 4.515 4.967 -0.452 18484 3156 1 7 . 1 1 107 107 ALA CA C 107 50.477 50.477 48.657 1.820 18484 3157 1 7 . 1 1 107 107 ALA CB C 107 19.924 19.924 20.054 -0.130 18484 3158 1 7 . 1 1 107 107 ALA H H 107 7.929 7.929 7.705 0.224 18484 3159 1 7 . 1 1 108 108 PRO HA H 108 4.494 4.494 4.461 0.033 18484 3160 1 7 . 1 1 108 108 PRO CA C 108 61.698 61.698 62.064 -0.366 18484 3161 1 7 . 1 1 108 108 PRO CB C 108 31.900 31.900 32.279 -0.379 18484 3162 1 7 . 1 1 109 109 VAL N N 109 119.821 119.821 119.636 0.185 18484 3163 1 7 . 1 1 109 109 VAL HA H 109 4.092 4.092 3.929 0.163 18484 3164 1 7 . 1 1 109 109 VAL CA C 109 60.949 60.949 63.360 -2.411 18484 3165 1 7 . 1 1 109 109 VAL CB C 109 32.389 32.389 31.990 0.399 18484 3166 1 7 . 1 1 109 109 VAL H H 109 8.303 8.303 8.136 0.167 18484 3167 1 7 . 1 1 110 110 THR N N 110 118.171 118.171 122.323 -4.152 18484 3168 1 7 . 1 1 110 110 THR HA H 110 4.338 4.338 4.467 -0.129 18484 3169 1 7 . 1 1 110 110 THR CA C 110 59.028 59.028 61.510 -2.482 18484 3170 1 7 . 1 1 110 110 THR CB C 110 67.676 67.676 69.550 -1.875 18484 3171 1 7 . 1 1 110 110 THR H H 110 8.209 8.209 8.161 0.048 18484 3172 1 8 . 1 1 2 2 GLY N N 2 110.403 110.403 111.241 -0.838 18484 3173 1 8 . 1 1 2 2 GLY H H 2 8.459 8.459 8.256 0.203 18484 3174 1 8 . 1 1 10 10 SER HA H 10 4.435 4.435 4.203 0.232 18484 3175 1 8 . 1 1 11 11 SER CA C 11 57.649 57.649 58.228 -0.579 18484 3176 1 8 . 1 1 11 11 SER CB C 11 62.672 62.672 63.646 -0.974 18484 3177 1 8 . 1 1 12 12 GLY N N 12 110.471 110.471 112.609 -2.138 18484 3178 1 8 . 1 1 12 12 GLY CA C 12 45.312 45.312 44.741 0.571 18484 3179 1 8 . 1 1 12 12 GLY H H 12 8.365 8.365 8.705 -0.340 18484 3180 1 8 . 1 1 13 13 LEU N N 13 121.432 121.432 125.075 -3.643 18484 3181 1 8 . 1 1 13 13 LEU HA H 13 4.327 4.327 4.439 -0.112 18484 3182 1 8 . 1 1 13 13 LEU CA C 13 55.573 55.573 54.207 1.366 18484 3183 1 8 . 1 1 13 13 LEU CB C 13 42.428 42.428 40.532 1.896 18484 3184 1 8 . 1 1 13 13 LEU H H 13 8.024 8.024 7.977 0.047 18484 3185 1 8 . 1 1 14 14 VAL N N 14 122.309 122.309 126.147 -3.838 18484 3186 1 8 . 1 1 14 14 VAL H H 14 8.062 8.062 7.775 0.287 18484 3187 1 8 . 1 1 16 16 ARG N N 16 121.951 121.951 121.401 0.550 18484 3188 1 8 . 1 1 16 16 ARG HA H 16 4.312 4.312 4.201 0.111 18484 3189 1 8 . 1 1 16 16 ARG CA C 16 56.102 56.102 57.052 -0.950 18484 3190 1 8 . 1 1 16 16 ARG CB C 16 30.891 30.891 30.062 0.829 18484 3191 1 8 . 1 1 16 16 ARG H H 16 8.465 8.465 8.597 -0.132 18484 3192 1 8 . 1 1 20 20 MET HA H 20 4.435 4.435 4.540 -0.105 18484 3193 1 8 . 1 1 20 20 MET CA C 20 55.500 55.500 56.609 -1.109 18484 3194 1 8 . 1 1 20 20 MET CB C 20 32.070 32.070 33.599 -1.529 18484 3195 1 8 . 1 1 21 21 SER N N 21 117.005 117.005 115.947 1.058 18484 3196 1 8 . 1 1 21 21 SER HA H 21 4.435 4.435 4.449 -0.014 18484 3197 1 8 . 1 1 21 21 SER CA C 21 57.066 57.066 59.592 -2.526 18484 3198 1 8 . 1 1 21 21 SER CB C 21 62.566 62.566 63.586 -1.020 18484 3199 1 8 . 1 1 21 21 SER H H 21 8.332 8.332 8.206 0.126 18484 3200 1 8 . 1 1 22 22 LEU N N 22 124.083 124.083 121.738 2.345 18484 3201 1 8 . 1 1 22 22 LEU HA H 22 4.348 4.348 4.256 0.092 18484 3202 1 8 . 1 1 22 22 LEU CA C 22 55.471 55.471 56.154 -0.683 18484 3203 1 8 . 1 1 22 22 LEU CB C 22 42.322 42.322 41.929 0.393 18484 3204 1 8 . 1 1 22 22 LEU H H 22 8.340 8.340 7.643 0.697 18484 3205 1 8 . 1 1 23 23 ASP N N 23 120.867 120.867 117.176 3.691 18484 3206 1 8 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.292 0.274 18484 3207 1 8 . 1 1 23 23 ASP CA C 23 54.687 54.687 55.612 -0.925 18484 3208 1 8 . 1 1 23 23 ASP CB C 23 41.553 41.553 41.423 0.130 18484 3209 1 8 . 1 1 23 23 ASP H H 23 8.312 8.312 8.332 -0.020 18484 3210 1 8 . 1 1 24 24 GLU N N 24 121.470 121.470 121.667 -0.197 18484 3211 1 8 . 1 1 24 24 GLU HA H 24 4.566 4.566 4.281 0.285 18484 3212 1 8 . 1 1 24 24 GLU CA C 24 56.921 56.921 57.146 -0.225 18484 3213 1 8 . 1 1 24 24 GLU CB C 24 30.015 30.015 30.640 -0.625 18484 3214 1 8 . 1 1 24 24 GLU H H 24 8.411 8.411 8.371 0.040 18484 3215 1 8 . 1 1 25 25 ASN N N 25 118.582 118.582 123.709 -5.127 18484 3216 1 8 . 1 1 25 25 ASN HA H 25 4.707 4.707 4.848 -0.141 18484 3217 1 8 . 1 1 25 25 ASN CA C 25 53.593 53.593 53.099 0.494 18484 3218 1 8 . 1 1 25 25 ASN CB C 25 39.188 39.188 38.529 0.659 18484 3219 1 8 . 1 1 25 25 ASN H H 25 8.436 8.436 8.591 -0.155 18484 3220 1 8 . 1 1 26 26 GLU N N 26 121.262 121.262 122.039 -0.777 18484 3221 1 8 . 1 1 26 26 GLU HA H 26 4.247 4.247 4.479 -0.232 18484 3222 1 8 . 1 1 26 26 GLU CA C 26 56.310 56.310 55.314 0.996 18484 3223 1 8 . 1 1 26 26 GLU CB C 26 30.342 30.342 30.628 -0.286 18484 3224 1 8 . 1 1 26 26 GLU H H 26 8.196 8.196 8.281 -0.085 18484 3225 1 8 . 1 1 27 27 VAL N N 27 121.381 121.381 121.415 -0.034 18484 3226 1 8 . 1 1 27 27 VAL HA H 27 4.036 4.036 4.000 0.036 18484 3227 1 8 . 1 1 27 27 VAL CA C 27 62.396 62.396 62.344 0.052 18484 3228 1 8 . 1 1 27 27 VAL CB C 27 32.770 32.770 31.800 0.970 18484 3229 1 8 . 1 1 27 27 VAL H H 27 8.092 8.092 8.290 -0.198 18484 3230 1 8 . 1 1 28 28 ALA N N 28 127.549 127.549 132.170 -4.621 18484 3231 1 8 . 1 1 28 28 ALA HA H 28 4.300 4.300 4.381 -0.081 18484 3232 1 8 . 1 1 28 28 ALA CA C 28 52.388 52.388 52.052 0.336 18484 3233 1 8 . 1 1 28 28 ALA CB C 28 20.383 20.383 18.924 1.460 18484 3234 1 8 . 1 1 28 28 ALA H H 28 8.280 8.280 8.420 -0.140 18484 3235 1 8 . 1 1 29 29 ALA N N 29 122.963 122.963 126.881 -3.918 18484 3236 1 8 . 1 1 29 29 ALA HA H 29 4.257 4.257 4.564 -0.307 18484 3237 1 8 . 1 1 29 29 ALA CA C 29 52.737 52.737 52.547 0.190 18484 3238 1 8 . 1 1 29 29 ALA CB C 29 20.585 20.585 19.283 1.302 18484 3239 1 8 . 1 1 29 29 ALA H H 29 8.182 8.182 8.289 -0.107 18484 3240 1 8 . 1 1 30 30 ASN N N 30 117.863 117.863 120.626 -2.763 18484 3241 1 8 . 1 1 30 30 ASN HA H 30 4.697 4.697 4.975 -0.278 18484 3242 1 8 . 1 1 30 30 ASN CA C 30 53.107 53.107 53.067 0.040 18484 3243 1 8 . 1 1 30 30 ASN CB C 30 38.876 38.876 39.411 -0.535 18484 3244 1 8 . 1 1 30 30 ASN H H 30 8.323 8.323 8.644 -0.321 18484 3245 1 8 . 1 1 31 31 VAL N N 31 120.074 120.074 117.310 2.764 18484 3246 1 8 . 1 1 31 31 VAL HA H 31 4.131 4.131 4.163 -0.032 18484 3247 1 8 . 1 1 31 31 VAL CA C 31 60.983 60.983 63.852 -2.869 18484 3248 1 8 . 1 1 31 31 VAL CB C 31 32.827 32.827 32.009 0.818 18484 3249 1 8 . 1 1 31 31 VAL H H 31 8.041 8.041 8.039 0.002 18484 3250 1 8 . 1 1 32 32 GLU N N 32 124.378 124.378 119.578 4.800 18484 3251 1 8 . 1 1 32 32 GLU HA H 32 4.339 4.339 4.465 -0.126 18484 3252 1 8 . 1 1 32 32 GLU CA C 32 56.728 56.728 55.676 1.052 18484 3253 1 8 . 1 1 32 32 GLU CB C 32 30.439 30.439 31.426 -0.987 18484 3254 1 8 . 1 1 32 32 GLU H H 32 8.487 8.487 7.910 0.577 18484 3255 1 8 . 1 1 33 33 THR N N 33 116.772 116.772 113.377 3.395 18484 3256 1 8 . 1 1 33 33 THR HA H 33 4.312 4.312 4.450 -0.138 18484 3257 1 8 . 1 1 33 33 THR CA C 33 60.472 60.472 61.990 -1.518 18484 3258 1 8 . 1 1 33 33 THR CB C 33 68.412 68.412 69.394 -0.982 18484 3259 1 8 . 1 1 33 33 THR H H 33 8.224 8.224 8.454 -0.230 18484 3260 1 8 . 1 1 34 34 ARG N N 34 124.955 124.955 120.932 4.023 18484 3261 1 8 . 1 1 34 34 ARG HA H 34 4.732 4.732 4.646 0.086 18484 3262 1 8 . 1 1 34 34 ARG CA C 34 53.635 53.635 54.189 -0.554 18484 3263 1 8 . 1 1 34 34 ARG CB C 34 30.581 30.581 30.964 -0.383 18484 3264 1 8 . 1 1 34 34 ARG H H 34 8.438 8.438 7.824 0.614 18484 3265 1 8 . 1 1 35 35 PRO HA H 35 4.667 4.667 4.333 0.334 18484 3266 1 8 . 1 1 35 35 PRO CA C 35 61.995 61.995 64.116 -2.121 18484 3267 1 8 . 1 1 35 35 PRO CB C 35 32.459 32.459 32.244 0.215 18484 3268 1 8 . 1 1 36 36 GLU N N 36 121.398 121.398 116.572 4.826 18484 3269 1 8 . 1 1 36 36 GLU HA H 36 4.509 4.509 4.504 0.005 18484 3270 1 8 . 1 1 36 36 GLU CA C 36 55.563 55.563 55.264 0.299 18484 3271 1 8 . 1 1 36 36 GLU CB C 36 31.628 31.628 30.642 0.986 18484 3272 1 8 . 1 1 36 36 GLU H H 36 8.663 8.663 8.106 0.557 18484 3273 1 8 . 1 1 37 37 LEU N N 37 125.233 125.233 125.558 -0.325 18484 3274 1 8 . 1 1 37 37 LEU HA H 37 5.240 5.240 4.908 0.332 18484 3275 1 8 . 1 1 37 37 LEU CA C 37 54.120 54.120 54.040 0.080 18484 3276 1 8 . 1 1 37 37 LEU CB C 37 42.407 42.407 42.451 -0.044 18484 3277 1 8 . 1 1 37 37 LEU H H 37 8.352 8.352 8.589 -0.237 18484 3278 1 8 . 1 1 38 38 ILE N N 38 121.904 121.904 122.413 -0.509 18484 3279 1 8 . 1 1 38 38 ILE HA H 38 4.775 4.775 4.794 -0.019 18484 3280 1 8 . 1 1 38 38 ILE CA C 38 58.065 58.065 59.735 -1.670 18484 3281 1 8 . 1 1 38 38 ILE CB C 38 41.790 41.790 39.549 2.241 18484 3282 1 8 . 1 1 38 38 ILE H H 38 9.224 9.224 8.915 0.309 18484 3283 1 8 . 1 1 39 39 THR N N 39 111.692 111.692 110.647 1.045 18484 3284 1 8 . 1 1 39 39 THR HA H 39 5.443 5.443 5.245 0.198 18484 3285 1 8 . 1 1 39 39 THR CA C 39 57.825 57.825 60.666 -2.841 18484 3286 1 8 . 1 1 39 39 THR CB C 39 70.337 70.337 71.349 -1.012 18484 3287 1 8 . 1 1 39 39 THR H H 39 8.077 8.077 8.257 -0.180 18484 3288 1 8 . 1 1 40 40 ARG N N 40 121.666 121.666 121.307 0.359 18484 3289 1 8 . 1 1 40 40 ARG HA H 40 4.707 4.707 4.531 0.176 18484 3290 1 8 . 1 1 40 40 ARG CA C 40 55.674 55.674 56.068 -0.394 18484 3291 1 8 . 1 1 40 40 ARG CB C 40 34.932 34.932 33.240 1.692 18484 3292 1 8 . 1 1 40 40 ARG H H 40 8.558 8.558 8.961 -0.403 18484 3293 1 8 . 1 1 41 41 THR N N 41 115.335 115.335 120.898 -5.563 18484 3294 1 8 . 1 1 41 41 THR HA H 41 5.345 5.345 4.936 0.409 18484 3295 1 8 . 1 1 41 41 THR CA C 41 59.028 59.028 61.822 -2.794 18484 3296 1 8 . 1 1 41 41 THR CB C 41 70.332 70.332 70.036 0.296 18484 3297 1 8 . 1 1 41 41 THR H H 41 8.532 8.532 8.670 -0.138 18484 3298 1 8 . 1 1 42 42 GLU N N 42 122.278 122.278 127.242 -4.964 18484 3299 1 8 . 1 1 42 42 GLU HA H 42 4.705 4.705 4.554 0.151 18484 3300 1 8 . 1 1 42 42 GLU CA C 42 54.318 54.318 54.150 0.168 18484 3301 1 8 . 1 1 42 42 GLU CB C 42 33.984 33.984 31.031 2.953 18484 3302 1 8 . 1 1 42 42 GLU H H 42 9.049 9.049 8.828 0.221 18484 3303 1 8 . 1 1 43 43 GLU N N 43 122.782 122.782 123.630 -0.848 18484 3304 1 8 . 1 1 43 43 GLU HA H 43 4.659 4.659 4.219 0.440 18484 3305 1 8 . 1 1 43 43 GLU CA C 43 56.074 56.074 56.674 -0.600 18484 3306 1 8 . 1 1 43 43 GLU CB C 43 31.559 31.559 28.792 2.767 18484 3307 1 8 . 1 1 43 43 GLU H H 43 8.722 8.722 8.639 0.083 18484 3308 1 8 . 1 1 44 44 ILE N N 44 123.255 123.255 128.168 -4.913 18484 3309 1 8 . 1 1 44 44 ILE HA H 44 4.557 4.557 4.446 0.111 18484 3310 1 8 . 1 1 44 44 ILE CA C 44 55.622 55.622 58.175 -2.553 18484 3311 1 8 . 1 1 44 44 ILE CB C 44 40.902 40.902 38.780 2.122 18484 3312 1 8 . 1 1 44 44 ILE H H 44 7.740 7.740 7.776 -0.036 18484 3313 1 8 . 1 1 45 45 PRO HA H 45 4.177 4.177 4.571 -0.394 18484 3314 1 8 . 1 1 45 45 PRO CA C 45 61.978 61.978 62.107 -0.129 18484 3315 1 8 . 1 1 45 45 PRO CB C 45 32.314 32.314 32.430 -0.116 18484 3316 1 8 . 1 1 46 46 PHE N N 46 114.670 114.670 117.920 -3.250 18484 3317 1 8 . 1 1 46 46 PHE HA H 46 4.913 4.913 4.727 0.186 18484 3318 1 8 . 1 1 46 46 PHE CA C 46 54.749 54.749 56.544 -1.796 18484 3319 1 8 . 1 1 46 46 PHE CB C 46 42.057 42.057 40.489 1.568 18484 3320 1 8 . 1 1 46 46 PHE H H 46 6.912 6.912 7.935 -1.023 18484 3321 1 8 . 1 1 47 47 GLU N N 47 120.217 120.217 119.971 0.246 18484 3322 1 8 . 1 1 47 47 GLU HA H 47 4.600 4.600 4.441 0.159 18484 3323 1 8 . 1 1 47 47 GLU CA C 47 54.771 54.771 55.850 -1.079 18484 3324 1 8 . 1 1 47 47 GLU CB C 47 32.338 32.338 32.833 -0.495 18484 3325 1 8 . 1 1 47 47 GLU H H 47 8.271 8.271 8.662 -0.392 18484 3326 1 8 . 1 1 48 48 VAL N N 48 121.331 121.331 123.854 -2.523 18484 3327 1 8 . 1 1 48 48 VAL HA H 48 4.734 4.734 4.190 0.544 18484 3328 1 8 . 1 1 48 48 VAL CA C 48 61.472 61.472 63.022 -1.550 18484 3329 1 8 . 1 1 48 48 VAL CB C 48 32.699 32.699 32.613 0.086 18484 3330 1 8 . 1 1 48 48 VAL H H 48 8.625 8.625 8.360 0.265 18484 3331 1 8 . 1 1 49 49 ILE N N 49 132.310 132.310 125.808 6.502 18484 3332 1 8 . 1 1 49 49 ILE HA H 49 4.205 4.205 4.421 -0.216 18484 3333 1 8 . 1 1 49 49 ILE CA C 49 58.886 58.886 59.962 -1.076 18484 3334 1 8 . 1 1 49 49 ILE CB C 49 39.037 39.037 41.035 -1.998 18484 3335 1 8 . 1 1 49 49 ILE H H 49 9.505 9.505 8.069 1.436 18484 3336 1 8 . 1 1 50 50 LYS N N 50 125.764 125.764 124.688 1.076 18484 3337 1 8 . 1 1 50 50 LYS HA H 50 5.284 5.284 4.459 0.825 18484 3338 1 8 . 1 1 50 50 LYS CA C 50 54.802 54.802 55.757 -0.955 18484 3339 1 8 . 1 1 50 50 LYS CB C 50 34.186 34.186 32.968 1.218 18484 3340 1 8 . 1 1 50 50 LYS H H 50 8.507 8.507 8.445 0.062 18484 3341 1 8 . 1 1 51 51 LYS N N 51 124.935 124.935 125.869 -0.934 18484 3342 1 8 . 1 1 51 51 LYS HA H 51 4.608 4.608 4.618 -0.010 18484 3343 1 8 . 1 1 51 51 LYS CA C 51 54.006 54.006 54.235 -0.229 18484 3344 1 8 . 1 1 51 51 LYS CB C 51 34.756 34.756 33.816 0.940 18484 3345 1 8 . 1 1 51 51 LYS H H 51 9.066 9.066 8.469 0.597 18484 3346 1 8 . 1 1 52 52 GLU N N 52 124.186 124.186 120.433 3.753 18484 3347 1 8 . 1 1 52 52 GLU HA H 52 4.621 4.621 4.449 0.172 18484 3348 1 8 . 1 1 52 52 GLU CA C 52 55.931 55.931 56.184 -0.253 18484 3349 1 8 . 1 1 52 52 GLU CB C 52 31.036 31.036 30.095 0.941 18484 3350 1 8 . 1 1 52 52 GLU H H 52 8.777 8.777 8.557 0.220 18484 3351 1 8 . 1 1 53 53 ASN N N 53 121.687 121.687 124.946 -3.259 18484 3352 1 8 . 1 1 53 53 ASN HA H 53 5.240 5.240 5.107 0.133 18484 3353 1 8 . 1 1 53 53 ASN CA C 53 49.409 49.409 49.839 -0.430 18484 3354 1 8 . 1 1 53 53 ASN CB C 53 40.473 40.473 39.218 1.255 18484 3355 1 8 . 1 1 53 53 ASN H H 53 8.890 8.890 9.090 -0.200 18484 3356 1 8 . 1 1 54 54 PRO HA H 54 4.587 4.587 4.340 0.247 18484 3357 1 8 . 1 1 54 54 PRO CA C 54 62.650 62.650 64.769 -2.119 18484 3358 1 8 . 1 1 54 54 PRO CB C 54 32.219 32.219 32.213 0.006 18484 3359 1 8 . 1 1 55 55 ASN N N 55 115.629 115.629 115.680 -0.051 18484 3360 1 8 . 1 1 55 55 ASN HA H 55 4.695 4.695 4.583 0.112 18484 3361 1 8 . 1 1 55 55 ASN CA C 55 53.685 53.685 54.002 -0.317 18484 3362 1 8 . 1 1 55 55 ASN CB C 55 39.137 39.137 38.992 0.145 18484 3363 1 8 . 1 1 55 55 ASN H H 55 8.422 8.422 8.203 0.219 18484 3364 1 8 . 1 1 56 56 LEU N N 56 121.277 121.277 120.753 0.524 18484 3365 1 8 . 1 1 56 56 LEU HA H 56 4.686 4.686 4.493 0.193 18484 3366 1 8 . 1 1 56 56 LEU CA C 56 52.145 52.145 53.073 -0.928 18484 3367 1 8 . 1 1 56 56 LEU CB C 56 42.456 42.456 42.179 0.277 18484 3368 1 8 . 1 1 56 56 LEU H H 56 7.278 7.278 7.365 -0.087 18484 3369 1 8 . 1 1 57 57 PRO HA H 57 4.298 4.298 4.481 -0.183 18484 3370 1 8 . 1 1 57 57 PRO CA C 57 61.332 61.332 62.245 -0.913 18484 3371 1 8 . 1 1 57 57 PRO CB C 57 32.232 32.232 30.955 1.277 18484 3372 1 8 . 1 1 58 58 ALA N N 58 123.896 123.896 120.996 2.900 18484 3373 1 8 . 1 1 58 58 ALA HA H 58 3.892 3.892 3.988 -0.096 18484 3374 1 8 . 1 1 58 58 ALA CA C 58 53.559 53.559 52.806 0.753 18484 3375 1 8 . 1 1 58 58 ALA CB C 58 19.480 19.480 18.329 1.151 18484 3376 1 8 . 1 1 58 58 ALA H H 58 8.263 8.263 7.908 0.355 18484 3377 1 8 . 1 1 59 59 GLY N N 59 110.843 110.843 108.871 1.972 18484 3378 1 8 . 1 1 59 59 GLY CA C 59 45.339 45.339 45.288 0.051 18484 3379 1 8 . 1 1 59 59 GLY H H 59 8.755 8.755 8.455 0.300 18484 3380 1 8 . 1 1 60 60 GLN N N 60 121.444 121.444 121.334 0.110 18484 3381 1 8 . 1 1 60 60 GLN HA H 60 4.251 4.251 4.267 -0.016 18484 3382 1 8 . 1 1 60 60 GLN CA C 60 56.080 56.080 56.540 -0.460 18484 3383 1 8 . 1 1 60 60 GLN CB C 60 29.876 29.876 29.511 0.365 18484 3384 1 8 . 1 1 60 60 GLN H H 60 7.877 7.877 8.046 -0.169 18484 3385 1 8 . 1 1 61 61 GLU N N 61 123.364 123.364 125.755 -2.391 18484 3386 1 8 . 1 1 61 61 GLU HA H 61 5.241 5.241 4.744 0.497 18484 3387 1 8 . 1 1 61 61 GLU CA C 61 55.012 55.012 55.045 -0.033 18484 3388 1 8 . 1 1 61 61 GLU CB C 61 32.368 32.368 31.990 0.378 18484 3389 1 8 . 1 1 61 61 GLU H H 61 8.419 8.419 8.555 -0.136 18484 3390 1 8 . 1 1 62 62 ASN N N 62 121.499 121.499 123.987 -2.488 18484 3391 1 8 . 1 1 62 62 ASN HA H 62 5.078 5.078 4.975 0.103 18484 3392 1 8 . 1 1 62 62 ASN CA C 62 51.617 51.617 51.935 -0.318 18484 3393 1 8 . 1 1 62 62 ASN CB C 62 40.999 40.999 40.089 0.910 18484 3394 1 8 . 1 1 62 62 ASN H H 62 9.164 9.164 8.236 0.928 18484 3395 1 8 . 1 1 63 63 ILE N N 63 125.976 125.976 123.356 2.620 18484 3396 1 8 . 1 1 63 63 ILE HA H 63 3.979 3.979 4.223 -0.244 18484 3397 1 8 . 1 1 63 63 ILE CA C 63 61.650 61.650 59.679 1.971 18484 3398 1 8 . 1 1 63 63 ILE CB C 63 37.404 37.404 35.548 1.856 18484 3399 1 8 . 1 1 63 63 ILE H H 63 9.032 9.032 8.734 0.298 18484 3400 1 8 . 1 1 64 64 ILE N N 64 130.073 130.073 128.564 1.509 18484 3401 1 8 . 1 1 64 64 ILE HA H 64 4.139 4.139 3.937 0.202 18484 3402 1 8 . 1 1 64 64 ILE CA C 64 60.699 60.699 63.667 -2.968 18484 3403 1 8 . 1 1 64 64 ILE CB C 64 38.029 38.029 38.446 -0.417 18484 3404 1 8 . 1 1 64 64 ILE H H 64 8.876 8.876 8.409 0.467 18484 3405 1 8 . 1 1 65 65 THR N N 65 116.771 116.771 115.044 1.727 18484 3406 1 8 . 1 1 65 65 THR HA H 65 4.349 4.349 4.423 -0.074 18484 3407 1 8 . 1 1 65 65 THR CA C 65 60.066 60.066 61.330 -1.264 18484 3408 1 8 . 1 1 65 65 THR CB C 65 71.059 71.059 70.115 0.944 18484 3409 1 8 . 1 1 65 65 THR H H 65 7.699 7.699 7.484 0.215 18484 3410 1 8 . 1 1 66 66 ALA N N 66 130.117 130.117 128.692 1.425 18484 3411 1 8 . 1 1 66 66 ALA HA H 66 3.928 3.928 4.099 -0.171 18484 3412 1 8 . 1 1 66 66 ALA CA C 66 51.617 51.617 52.534 -0.917 18484 3413 1 8 . 1 1 66 66 ALA CB C 66 19.653 19.653 19.404 0.249 18484 3414 1 8 . 1 1 66 66 ALA H H 66 8.579 8.579 8.253 0.326 18484 3415 1 8 . 1 1 67 67 GLY N N 67 107.619 107.619 108.929 -1.310 18484 3416 1 8 . 1 1 67 67 GLY CA C 67 43.606 43.606 43.925 -0.319 18484 3417 1 8 . 1 1 67 67 GLY H H 67 8.387 8.387 8.070 0.317 18484 3418 1 8 . 1 1 68 68 VAL N N 68 123.776 123.776 123.732 0.044 18484 3419 1 8 . 1 1 68 68 VAL HA H 68 4.124 4.124 4.106 0.018 18484 3420 1 8 . 1 1 68 68 VAL CA C 68 60.443 60.443 60.795 -0.353 18484 3421 1 8 . 1 1 68 68 VAL CB C 68 34.972 34.972 35.566 -0.595 18484 3422 1 8 . 1 1 68 68 VAL H H 68 8.966 8.966 8.303 0.663 18484 3423 1 8 . 1 1 69 69 LYS N N 69 125.803 125.803 127.889 -2.086 18484 3424 1 8 . 1 1 69 69 LYS HA H 69 4.448 4.448 4.382 0.066 18484 3425 1 8 . 1 1 69 69 LYS CA C 69 57.012 57.012 57.355 -0.343 18484 3426 1 8 . 1 1 69 69 LYS CB C 69 33.410 33.410 31.311 2.099 18484 3427 1 8 . 1 1 69 69 LYS H H 69 8.799 8.799 8.909 -0.110 18484 3428 1 8 . 1 1 70 70 GLY N N 70 108.188 108.188 112.864 -4.676 18484 3429 1 8 . 1 1 70 70 GLY CA C 70 43.549 43.549 44.780 -1.231 18484 3430 1 8 . 1 1 70 70 GLY H H 70 8.858 8.858 7.984 0.874 18484 3431 1 8 . 1 1 71 71 GLU N N 71 123.030 123.030 119.732 3.298 18484 3432 1 8 . 1 1 71 71 GLU HA H 71 5.059 5.059 4.637 0.422 18484 3433 1 8 . 1 1 71 71 GLU CA C 71 56.146 56.146 56.600 -0.454 18484 3434 1 8 . 1 1 71 71 GLU CB C 71 36.142 36.142 31.903 4.239 18484 3435 1 8 . 1 1 71 71 GLU H H 71 9.538 9.538 8.288 1.250 18484 3436 1 8 . 1 1 72 72 ARG N N 72 126.426 126.426 126.142 0.284 18484 3437 1 8 . 1 1 72 72 ARG HA H 72 5.059 5.059 4.875 0.184 18484 3438 1 8 . 1 1 72 72 ARG CA C 72 54.001 54.001 54.556 -0.555 18484 3439 1 8 . 1 1 72 72 ARG CB C 72 33.500 33.500 32.504 0.996 18484 3440 1 8 . 1 1 72 72 ARG H H 72 9.191 9.191 7.996 1.195 18484 3441 1 8 . 1 1 73 73 THR N N 73 120.983 120.983 122.028 -1.045 18484 3442 1 8 . 1 1 73 73 THR HA H 73 4.522 4.522 4.474 0.048 18484 3443 1 8 . 1 1 73 73 THR CA C 73 60.953 60.953 64.034 -3.081 18484 3444 1 8 . 1 1 73 73 THR CB C 73 68.412 68.412 69.582 -1.170 18484 3445 1 8 . 1 1 73 73 THR H H 73 9.249 9.249 8.452 0.797 18484 3446 1 8 . 1 1 74 74 HIS N N 74 125.685 125.685 124.854 0.831 18484 3447 1 8 . 1 1 74 74 HIS HA H 74 5.153 5.153 4.767 0.386 18484 3448 1 8 . 1 1 74 74 HIS CA C 74 54.487 54.487 54.708 -0.221 18484 3449 1 8 . 1 1 74 74 HIS CB C 74 32.997 32.997 32.116 0.881 18484 3450 1 8 . 1 1 74 74 HIS H H 74 9.056 9.056 8.679 0.377 18484 3451 1 8 . 1 1 75 75 TYR N N 75 123.688 123.688 124.683 -0.995 18484 3452 1 8 . 1 1 75 75 TYR HA H 75 4.868 4.868 4.974 -0.106 18484 3453 1 8 . 1 1 75 75 TYR CA C 75 56.499 56.499 54.935 1.563 18484 3454 1 8 . 1 1 75 75 TYR CB C 75 38.425 38.425 37.465 0.960 18484 3455 1 8 . 1 1 75 75 TYR H H 75 8.945 8.945 7.770 1.175 18484 3456 1 8 . 1 1 76 76 ILE N N 76 125.717 125.717 123.574 2.143 18484 3457 1 8 . 1 1 76 76 ILE HA H 76 4.800 4.800 4.419 0.381 18484 3458 1 8 . 1 1 76 76 ILE CA C 76 58.787 58.787 59.626 -0.839 18484 3459 1 8 . 1 1 76 76 ILE CB C 76 42.034 42.034 40.934 1.100 18484 3460 1 8 . 1 1 76 76 ILE H H 76 9.079 9.079 8.622 0.457 18484 3461 1 8 . 1 1 77 77 SER N N 77 120.473 120.473 117.600 2.873 18484 3462 1 8 . 1 1 77 77 SER HA H 77 5.183 5.183 4.822 0.361 18484 3463 1 8 . 1 1 77 77 SER CA C 77 55.930 55.930 57.728 -1.798 18484 3464 1 8 . 1 1 77 77 SER CB C 77 63.118 63.118 64.306 -1.188 18484 3465 1 8 . 1 1 77 77 SER H H 77 9.047 9.047 7.994 1.053 18484 3466 1 8 . 1 1 78 78 VAL N N 78 128.488 128.488 127.314 1.174 18484 3467 1 8 . 1 1 78 78 VAL HA H 78 4.729 4.729 4.154 0.575 18484 3468 1 8 . 1 1 78 78 VAL CA C 78 60.517 60.517 61.751 -1.234 18484 3469 1 8 . 1 1 78 78 VAL CB C 78 33.685 33.685 30.968 2.717 18484 3470 1 8 . 1 1 78 78 VAL H H 78 9.301 9.301 8.040 1.261 18484 3471 1 8 . 1 1 79 79 LEU N N 79 129.698 129.698 129.703 -0.005 18484 3472 1 8 . 1 1 79 79 LEU HA H 79 4.783 4.783 4.647 0.136 18484 3473 1 8 . 1 1 79 79 LEU CA C 79 53.873 53.873 53.467 0.406 18484 3474 1 8 . 1 1 79 79 LEU CB C 79 45.605 45.605 43.217 2.388 18484 3475 1 8 . 1 1 79 79 LEU H H 79 8.553 8.553 8.220 0.333 18484 3476 1 8 . 1 1 80 80 THR N N 80 123.276 123.276 120.824 2.452 18484 3477 1 8 . 1 1 80 80 THR HA H 80 5.096 5.096 4.728 0.368 18484 3478 1 8 . 1 1 80 80 THR CA C 80 60.231 60.231 61.838 -1.607 18484 3479 1 8 . 1 1 80 80 THR CB C 80 68.171 68.171 67.951 0.220 18484 3480 1 8 . 1 1 80 80 THR H H 80 8.754 8.754 8.804 -0.050 18484 3481 1 8 . 1 1 81 81 GLU N N 81 125.405 125.405 125.639 -0.234 18484 3482 1 8 . 1 1 81 81 GLU HA H 81 4.530 4.530 4.593 -0.063 18484 3483 1 8 . 1 1 81 81 GLU CA C 81 55.372 55.372 55.351 0.021 18484 3484 1 8 . 1 1 81 81 GLU CB C 81 32.374 32.374 30.749 1.625 18484 3485 1 8 . 1 1 81 81 GLU H H 81 8.615 8.615 8.742 -0.127 18484 3486 1 8 . 1 1 82 82 ASN N N 82 124.375 124.375 123.097 1.278 18484 3487 1 8 . 1 1 82 82 ASN HA H 82 4.360 4.360 4.398 -0.038 18484 3488 1 8 . 1 1 82 82 ASN CA C 82 54.328 54.328 53.735 0.593 18484 3489 1 8 . 1 1 82 82 ASN CB C 82 37.432 37.432 37.165 0.267 18484 3490 1 8 . 1 1 82 82 ASN H H 82 9.559 9.559 9.192 0.367 18484 3491 1 8 . 1 1 83 83 GLY N N 83 103.733 103.733 103.458 0.275 18484 3492 1 8 . 1 1 83 83 GLY CA C 83 45.359 45.359 45.261 0.098 18484 3493 1 8 . 1 1 83 83 GLY H H 83 8.626 8.626 8.424 0.202 18484 3494 1 8 . 1 1 84 84 LYS N N 84 121.407 121.407 119.046 2.361 18484 3495 1 8 . 1 1 84 84 LYS HA H 84 4.698 4.698 4.485 0.213 18484 3496 1 8 . 1 1 84 84 LYS CA C 84 55.182 55.182 55.072 0.110 18484 3497 1 8 . 1 1 84 84 LYS CB C 84 34.807 34.807 34.593 0.214 18484 3498 1 8 . 1 1 84 84 LYS H H 84 7.813 7.813 7.917 -0.104 18484 3499 1 8 . 1 1 85 85 THR N N 85 121.799 121.799 119.186 2.613 18484 3500 1 8 . 1 1 85 85 THR HA H 85 5.194 5.194 4.973 0.221 18484 3501 1 8 . 1 1 85 85 THR CA C 85 60.472 60.472 61.127 -0.655 18484 3502 1 8 . 1 1 85 85 THR CB C 85 69.134 69.134 69.236 -0.102 18484 3503 1 8 . 1 1 85 85 THR H H 85 8.796 8.796 8.485 0.311 18484 3504 1 8 . 1 1 86 86 THR N N 86 122.071 122.071 121.781 0.290 18484 3505 1 8 . 1 1 86 86 THR HA H 86 4.535 4.535 4.422 0.113 18484 3506 1 8 . 1 1 86 86 THR CA C 86 59.990 59.990 62.194 -2.204 18484 3507 1 8 . 1 1 86 86 THR CB C 86 69.856 69.856 69.603 0.253 18484 3508 1 8 . 1 1 86 86 THR H H 86 9.134 9.134 8.150 0.984 18484 3509 1 8 . 1 1 87 87 GLU N N 87 126.429 126.429 127.607 -1.178 18484 3510 1 8 . 1 1 87 87 GLU HA H 87 5.030 5.030 4.462 0.568 18484 3511 1 8 . 1 1 87 87 GLU CA C 87 55.029 55.029 55.959 -0.930 18484 3512 1 8 . 1 1 87 87 GLU CB C 87 31.746 31.746 29.426 2.320 18484 3513 1 8 . 1 1 87 87 GLU H H 87 8.905 8.905 8.728 0.177 18484 3514 1 8 . 1 1 88 88 THR N N 88 120.353 120.353 117.296 3.057 18484 3515 1 8 . 1 1 88 88 THR HA H 88 4.450 4.450 4.570 -0.120 18484 3516 1 8 . 1 1 88 88 THR CA C 88 60.472 60.472 60.192 0.280 18484 3517 1 8 . 1 1 88 88 THR CB C 88 70.646 70.646 70.040 0.606 18484 3518 1 8 . 1 1 88 88 THR H H 88 9.016 9.016 7.846 1.170 18484 3519 1 8 . 1 1 89 89 VAL N N 89 128.484 128.484 124.638 3.846 18484 3520 1 8 . 1 1 89 89 VAL HA H 89 3.978 3.978 3.860 0.118 18484 3521 1 8 . 1 1 89 89 VAL CA C 89 62.471 62.471 63.694 -1.224 18484 3522 1 8 . 1 1 89 89 VAL CB C 89 31.216 31.216 31.772 -0.556 18484 3523 1 8 . 1 1 89 89 VAL H H 89 9.054 9.054 8.761 0.293 18484 3524 1 8 . 1 1 90 90 LEU N N 90 130.587 130.587 128.921 1.666 18484 3525 1 8 . 1 1 90 90 LEU HA H 90 4.325 4.325 4.612 -0.287 18484 3526 1 8 . 1 1 90 90 LEU CA C 90 56.129 56.129 54.639 1.490 18484 3527 1 8 . 1 1 90 90 LEU CB C 90 42.958 42.958 43.105 -0.147 18484 3528 1 8 . 1 1 90 90 LEU H H 90 9.426 9.426 8.607 0.819 18484 3529 1 8 . 1 1 91 91 ASP N N 91 114.928 114.928 116.148 -1.220 18484 3530 1 8 . 1 1 91 91 ASP HA H 91 4.846 4.846 4.635 0.211 18484 3531 1 8 . 1 1 91 91 ASP CA C 91 53.688 53.688 54.197 -0.509 18484 3532 1 8 . 1 1 91 91 ASP CB C 91 43.521 43.521 44.152 -0.631 18484 3533 1 8 . 1 1 91 91 ASP H H 91 7.924 7.924 7.822 0.102 18484 3534 1 8 . 1 1 92 92 SER N N 92 117.203 117.203 115.467 1.736 18484 3535 1 8 . 1 1 92 92 SER HA H 92 5.519 5.519 2.537 2.982 18484 3536 1 8 . 1 1 92 92 SER CA C 92 56.622 56.622 56.383 0.239 18484 3537 1 8 . 1 1 92 92 SER CB C 92 63.359 63.359 65.110 -1.751 18484 3538 1 8 . 1 1 92 92 SER H H 92 8.376 8.376 8.014 0.362 18484 3539 1 8 . 1 1 93 93 GLN N N 93 122.058 122.058 119.295 2.763 18484 3540 1 8 . 1 1 93 93 GLN HA H 93 4.731 4.731 4.625 0.106 18484 3541 1 8 . 1 1 93 93 GLN CA C 93 54.781 54.781 53.995 0.786 18484 3542 1 8 . 1 1 93 93 GLN CB C 93 33.312 33.312 32.635 0.677 18484 3543 1 8 . 1 1 93 93 GLN H H 93 9.005 9.005 8.167 0.838 18484 3544 1 8 . 1 1 94 94 VAL N N 94 125.231 125.231 121.934 3.297 18484 3545 1 8 . 1 1 94 94 VAL HA H 94 4.233 4.233 4.232 0.001 18484 3546 1 8 . 1 1 94 94 VAL CA C 94 63.282 63.282 62.014 1.268 18484 3547 1 8 . 1 1 94 94 VAL CB C 94 30.906 30.906 31.937 -1.031 18484 3548 1 8 . 1 1 94 94 VAL H H 94 9.085 9.085 8.547 0.538 18484 3549 1 8 . 1 1 95 95 THR N N 95 121.170 121.170 122.598 -1.428 18484 3550 1 8 . 1 1 95 95 THR HA H 95 4.384 4.384 4.605 -0.221 18484 3551 1 8 . 1 1 95 95 THR CA C 95 60.953 60.953 61.106 -0.153 18484 3552 1 8 . 1 1 95 95 THR CB C 95 68.653 68.653 68.255 0.398 18484 3553 1 8 . 1 1 95 95 THR H H 95 8.521 8.521 8.346 0.175 18484 3554 1 8 . 1 1 96 96 LYS N N 96 123.236 123.236 125.262 -2.026 18484 3555 1 8 . 1 1 96 96 LYS HA H 96 4.418 4.418 4.223 0.195 18484 3556 1 8 . 1 1 96 96 LYS CA C 96 56.418 56.418 57.307 -0.889 18484 3557 1 8 . 1 1 96 96 LYS CB C 96 35.690 35.690 32.860 2.830 18484 3558 1 8 . 1 1 96 96 LYS H H 96 7.912 7.912 8.168 -0.256 18484 3559 1 8 . 1 1 97 97 GLU N N 97 125.835 125.835 118.065 7.770 18484 3560 1 8 . 1 1 97 97 GLU HA H 97 4.151 4.151 4.078 0.073 18484 3561 1 8 . 1 1 97 97 GLU CA C 97 56.412 56.412 57.168 -0.756 18484 3562 1 8 . 1 1 97 97 GLU CB C 97 29.948 29.948 29.544 0.404 18484 3563 1 8 . 1 1 97 97 GLU H H 97 8.665 8.665 8.393 0.272 18484 3564 1 8 . 1 1 98 98 VAL N N 98 122.204 122.204 122.785 -0.581 18484 3565 1 8 . 1 1 98 98 VAL HA H 98 3.915 3.915 4.184 -0.269 18484 3566 1 8 . 1 1 98 98 VAL CA C 98 60.208 60.208 62.725 -2.517 18484 3567 1 8 . 1 1 98 98 VAL CB C 98 33.692 33.692 32.497 1.195 18484 3568 1 8 . 1 1 98 98 VAL H H 98 8.339 8.339 8.237 0.102 18484 3569 1 8 . 1 1 99 99 ILE N N 99 127.874 127.874 129.872 -1.998 18484 3570 1 8 . 1 1 99 99 ILE HA H 99 4.197 4.197 3.976 0.221 18484 3571 1 8 . 1 1 99 99 ILE CA C 99 60.606 60.606 60.926 -0.320 18484 3572 1 8 . 1 1 99 99 ILE CB C 99 39.186 39.186 37.002 2.184 18484 3573 1 8 . 1 1 99 99 ILE H H 99 8.608 8.608 8.105 0.503 18484 3574 1 8 . 1 1 100 100 ASN N N 100 123.343 123.343 126.631 -3.288 18484 3575 1 8 . 1 1 100 100 ASN HA H 100 4.914 4.914 4.839 0.075 18484 3576 1 8 . 1 1 100 100 ASN CA C 100 53.704 53.704 52.281 1.423 18484 3577 1 8 . 1 1 100 100 ASN CB C 100 37.731 37.731 39.629 -1.898 18484 3578 1 8 . 1 1 100 100 ASN H H 100 8.446 8.446 8.475 -0.029 18484 3579 1 8 . 1 1 101 101 GLN N N 101 120.980 120.980 123.464 -2.484 18484 3580 1 8 . 1 1 101 101 GLN HA H 101 4.325 4.325 4.241 0.084 18484 3581 1 8 . 1 1 101 101 GLN CA C 101 54.659 54.659 56.449 -1.790 18484 3582 1 8 . 1 1 101 101 GLN CB C 101 31.616 31.616 28.257 3.359 18484 3583 1 8 . 1 1 101 101 GLN H H 101 8.254 8.254 8.683 -0.429 18484 3584 1 8 . 1 1 102 102 VAL N N 102 127.057 127.057 127.803 -0.746 18484 3585 1 8 . 1 1 102 102 VAL HA H 102 4.965 4.965 4.089 0.876 18484 3586 1 8 . 1 1 102 102 VAL CA C 102 60.264 60.264 62.690 -2.425 18484 3587 1 8 . 1 1 102 102 VAL CB C 102 33.626 33.626 31.444 2.182 18484 3588 1 8 . 1 1 102 102 VAL H H 102 8.742 8.742 8.856 -0.114 18484 3589 1 8 . 1 1 103 103 VAL N N 103 127.794 127.794 121.327 6.467 18484 3590 1 8 . 1 1 103 103 VAL HA H 103 4.812 4.812 5.245 -0.433 18484 3591 1 8 . 1 1 103 103 VAL CA C 103 58.547 58.547 59.093 -0.545 18484 3592 1 8 . 1 1 103 103 VAL CB C 103 35.718 35.718 34.857 0.861 18484 3593 1 8 . 1 1 103 103 VAL H H 103 9.160 9.160 7.628 1.532 18484 3594 1 8 . 1 1 104 104 GLU N N 104 125.160 125.160 125.959 -0.799 18484 3595 1 8 . 1 1 104 104 GLU HA H 104 5.513 5.513 4.622 0.891 18484 3596 1 8 . 1 1 104 104 GLU CA C 104 53.721 53.721 54.741 -1.020 18484 3597 1 8 . 1 1 104 104 GLU CB C 104 32.383 32.383 30.893 1.490 18484 3598 1 8 . 1 1 104 104 GLU H H 104 9.085 9.085 7.969 1.116 18484 3599 1 8 . 1 1 105 105 VAL N N 105 117.602 117.602 125.120 -7.518 18484 3600 1 8 . 1 1 105 105 VAL HA H 105 5.241 5.241 4.916 0.325 18484 3601 1 8 . 1 1 105 105 VAL CA C 105 57.055 57.055 60.398 -3.344 18484 3602 1 8 . 1 1 105 105 VAL CB C 105 35.204 35.204 32.491 2.713 18484 3603 1 8 . 1 1 105 105 VAL H H 105 8.536 8.536 7.778 0.758 18484 3604 1 8 . 1 1 106 106 GLY N N 106 111.023 111.023 112.511 -1.488 18484 3605 1 8 . 1 1 106 106 GLY CA C 106 46.117 46.117 44.875 1.242 18484 3606 1 8 . 1 1 106 106 GLY H H 106 8.635 8.635 8.267 0.368 18484 3607 1 8 . 1 1 107 107 ALA N N 107 127.369 127.369 125.965 1.404 18484 3608 1 8 . 1 1 107 107 ALA HA H 107 4.515 4.515 4.505 0.011 18484 3609 1 8 . 1 1 107 107 ALA CA C 107 50.477 50.477 51.214 -0.737 18484 3610 1 8 . 1 1 107 107 ALA CB C 107 19.924 19.924 20.207 -0.283 18484 3611 1 8 . 1 1 107 107 ALA H H 107 7.929 7.929 7.931 -0.002 18484 3612 1 8 . 1 1 108 108 PRO HA H 108 4.494 4.494 4.587 -0.093 18484 3613 1 8 . 1 1 108 108 PRO CA C 108 61.698 61.698 62.951 -1.253 18484 3614 1 8 . 1 1 108 108 PRO CB C 108 31.900 31.900 31.301 0.599 18484 3615 1 8 . 1 1 109 109 VAL N N 109 119.821 119.821 121.483 -1.662 18484 3616 1 8 . 1 1 109 109 VAL HA H 109 4.092 4.092 4.486 -0.394 18484 3617 1 8 . 1 1 109 109 VAL CA C 109 60.949 60.949 61.627 -0.678 18484 3618 1 8 . 1 1 109 109 VAL CB C 109 32.389 32.389 32.650 -0.261 18484 3619 1 8 . 1 1 109 109 VAL H H 109 8.303 8.303 8.012 0.291 18484 3620 1 8 . 1 1 110 110 THR N N 110 118.171 118.171 115.819 2.352 18484 3621 1 8 . 1 1 110 110 THR HA H 110 4.338 4.338 4.696 -0.358 18484 3622 1 8 . 1 1 110 110 THR CA C 110 59.028 59.028 62.049 -3.021 18484 3623 1 8 . 1 1 110 110 THR CB C 110 67.676 67.676 69.007 -1.331 18484 3624 1 8 . 1 1 110 110 THR H H 110 8.209 8.209 9.248 -1.039 18484 3625 1 9 . 1 1 2 2 GLY N N 2 110.403 110.403 110.236 0.167 18484 3626 1 9 . 1 1 2 2 GLY H H 2 8.459 8.459 8.550 -0.091 18484 3627 1 9 . 1 1 10 10 SER HA H 10 4.435 4.435 4.346 0.089 18484 3628 1 9 . 1 1 11 11 SER CA C 11 57.649 57.649 58.799 -1.150 18484 3629 1 9 . 1 1 11 11 SER CB C 11 62.672 62.672 64.003 -1.331 18484 3630 1 9 . 1 1 12 12 GLY N N 12 110.471 110.471 114.894 -4.423 18484 3631 1 9 . 1 1 12 12 GLY CA C 12 45.312 45.312 46.021 -0.709 18484 3632 1 9 . 1 1 12 12 GLY H H 12 8.365 8.365 8.686 -0.321 18484 3633 1 9 . 1 1 13 13 LEU N N 13 121.432 121.432 121.437 -0.005 18484 3634 1 9 . 1 1 13 13 LEU HA H 13 4.327 4.327 4.468 -0.141 18484 3635 1 9 . 1 1 13 13 LEU CA C 13 55.573 55.573 56.328 -0.754 18484 3636 1 9 . 1 1 13 13 LEU CB C 13 42.428 42.428 43.177 -0.749 18484 3637 1 9 . 1 1 13 13 LEU H H 13 8.024 8.024 8.261 -0.237 18484 3638 1 9 . 1 1 14 14 VAL N N 14 122.309 122.309 118.343 3.966 18484 3639 1 9 . 1 1 14 14 VAL H H 14 8.062 8.062 7.562 0.500 18484 3640 1 9 . 1 1 16 16 ARG N N 16 121.951 121.951 123.289 -1.338 18484 3641 1 9 . 1 1 16 16 ARG HA H 16 4.312 4.312 3.830 0.482 18484 3642 1 9 . 1 1 16 16 ARG CA C 16 56.102 56.102 57.878 -1.776 18484 3643 1 9 . 1 1 16 16 ARG CB C 16 30.891 30.891 29.227 1.664 18484 3644 1 9 . 1 1 16 16 ARG H H 16 8.465 8.465 8.800 -0.335 18484 3645 1 9 . 1 1 20 20 MET HA H 20 4.435 4.435 4.057 0.378 18484 3646 1 9 . 1 1 20 20 MET CA C 20 55.500 55.500 57.276 -1.776 18484 3647 1 9 . 1 1 20 20 MET CB C 20 32.070 32.070 32.952 -0.882 18484 3648 1 9 . 1 1 21 21 SER N N 21 117.005 117.005 115.676 1.329 18484 3649 1 9 . 1 1 21 21 SER HA H 21 4.435 4.435 4.722 -0.287 18484 3650 1 9 . 1 1 21 21 SER CA C 21 57.066 57.066 57.470 -0.404 18484 3651 1 9 . 1 1 21 21 SER CB C 21 62.566 62.566 64.540 -1.974 18484 3652 1 9 . 1 1 21 21 SER H H 21 8.332 8.332 8.382 -0.050 18484 3653 1 9 . 1 1 22 22 LEU N N 22 124.083 124.083 122.462 1.621 18484 3654 1 9 . 1 1 22 22 LEU HA H 22 4.348 4.348 4.000 0.348 18484 3655 1 9 . 1 1 22 22 LEU CA C 22 55.471 55.471 55.846 -0.375 18484 3656 1 9 . 1 1 22 22 LEU CB C 22 42.322 42.322 41.517 0.805 18484 3657 1 9 . 1 1 22 22 LEU H H 22 8.340 8.340 8.624 -0.284 18484 3658 1 9 . 1 1 23 23 ASP N N 23 120.867 120.867 118.463 2.404 18484 3659 1 9 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.722 -0.156 18484 3660 1 9 . 1 1 23 23 ASP CA C 23 54.687 54.687 53.780 0.907 18484 3661 1 9 . 1 1 23 23 ASP CB C 23 41.553 41.553 42.902 -1.349 18484 3662 1 9 . 1 1 23 23 ASP H H 23 8.312 8.312 7.858 0.454 18484 3663 1 9 . 1 1 24 24 GLU N N 24 121.470 121.470 122.256 -0.786 18484 3664 1 9 . 1 1 24 24 GLU HA H 24 4.566 4.566 4.602 -0.036 18484 3665 1 9 . 1 1 24 24 GLU CA C 24 56.921 56.921 55.496 1.425 18484 3666 1 9 . 1 1 24 24 GLU CB C 24 30.015 30.015 31.086 -1.071 18484 3667 1 9 . 1 1 24 24 GLU H H 24 8.411 8.411 8.062 0.349 18484 3668 1 9 . 1 1 25 25 ASN N N 25 118.582 118.582 119.974 -1.392 18484 3669 1 9 . 1 1 25 25 ASN HA H 25 4.707 4.707 4.564 0.143 18484 3670 1 9 . 1 1 25 25 ASN CA C 25 53.593 53.593 55.162 -1.569 18484 3671 1 9 . 1 1 25 25 ASN CB C 25 39.188 39.188 39.043 0.145 18484 3672 1 9 . 1 1 25 25 ASN H H 25 8.436 8.436 8.898 -0.462 18484 3673 1 9 . 1 1 26 26 GLU N N 26 121.262 121.262 117.883 3.379 18484 3674 1 9 . 1 1 26 26 GLU HA H 26 4.247 4.247 4.413 -0.166 18484 3675 1 9 . 1 1 26 26 GLU CA C 26 56.310 56.310 56.276 0.034 18484 3676 1 9 . 1 1 26 26 GLU CB C 26 30.342 30.342 29.860 0.482 18484 3677 1 9 . 1 1 26 26 GLU H H 26 8.196 8.196 8.111 0.085 18484 3678 1 9 . 1 1 27 27 VAL N N 27 121.381 121.381 121.628 -0.247 18484 3679 1 9 . 1 1 27 27 VAL HA H 27 4.036 4.036 3.930 0.106 18484 3680 1 9 . 1 1 27 27 VAL CA C 27 62.396 62.396 64.136 -1.740 18484 3681 1 9 . 1 1 27 27 VAL CB C 27 32.770 32.770 32.049 0.721 18484 3682 1 9 . 1 1 27 27 VAL H H 27 8.092 8.092 8.324 -0.232 18484 3683 1 9 . 1 1 28 28 ALA N N 28 127.549 127.549 121.701 5.848 18484 3684 1 9 . 1 1 28 28 ALA HA H 28 4.300 4.300 4.315 -0.015 18484 3685 1 9 . 1 1 28 28 ALA CA C 28 52.388 52.388 52.056 0.332 18484 3686 1 9 . 1 1 28 28 ALA CB C 28 20.383 20.383 19.136 1.247 18484 3687 1 9 . 1 1 28 28 ALA H H 28 8.280 8.280 7.726 0.554 18484 3688 1 9 . 1 1 29 29 ALA N N 29 122.963 122.963 120.201 2.762 18484 3689 1 9 . 1 1 29 29 ALA HA H 29 4.257 4.257 4.573 -0.316 18484 3690 1 9 . 1 1 29 29 ALA CA C 29 52.737 52.737 53.083 -0.346 18484 3691 1 9 . 1 1 29 29 ALA CB C 29 20.585 20.585 19.138 1.447 18484 3692 1 9 . 1 1 29 29 ALA H H 29 8.182 8.182 8.200 -0.018 18484 3693 1 9 . 1 1 30 30 ASN N N 30 117.863 117.863 117.403 0.460 18484 3694 1 9 . 1 1 30 30 ASN HA H 30 4.697 4.697 4.435 0.262 18484 3695 1 9 . 1 1 30 30 ASN CA C 30 53.107 53.107 53.433 -0.326 18484 3696 1 9 . 1 1 30 30 ASN CB C 30 38.876 38.876 38.385 0.491 18484 3697 1 9 . 1 1 30 30 ASN H H 30 8.323 8.323 8.501 -0.178 18484 3698 1 9 . 1 1 31 31 VAL N N 31 120.074 120.074 116.338 3.736 18484 3699 1 9 . 1 1 31 31 VAL HA H 31 4.131 4.131 4.384 -0.253 18484 3700 1 9 . 1 1 31 31 VAL CA C 31 60.983 60.983 62.967 -1.984 18484 3701 1 9 . 1 1 31 31 VAL CB C 31 32.827 32.827 32.802 0.025 18484 3702 1 9 . 1 1 31 31 VAL H H 31 8.041 8.041 7.847 0.194 18484 3703 1 9 . 1 1 32 32 GLU N N 32 124.378 124.378 120.346 4.032 18484 3704 1 9 . 1 1 32 32 GLU HA H 32 4.339 4.339 4.071 0.268 18484 3705 1 9 . 1 1 32 32 GLU CA C 32 56.728 56.728 58.675 -1.947 18484 3706 1 9 . 1 1 32 32 GLU CB C 32 30.439 30.439 29.030 1.409 18484 3707 1 9 . 1 1 32 32 GLU H H 32 8.487 8.487 8.823 -0.336 18484 3708 1 9 . 1 1 33 33 THR N N 33 116.772 116.772 113.159 3.613 18484 3709 1 9 . 1 1 33 33 THR HA H 33 4.312 4.312 4.548 -0.236 18484 3710 1 9 . 1 1 33 33 THR CA C 33 60.472 60.472 61.553 -1.081 18484 3711 1 9 . 1 1 33 33 THR CB C 33 68.412 68.412 70.402 -1.990 18484 3712 1 9 . 1 1 33 33 THR H H 33 8.224 8.224 8.266 -0.042 18484 3713 1 9 . 1 1 34 34 ARG N N 34 124.955 124.955 126.345 -1.390 18484 3714 1 9 . 1 1 34 34 ARG HA H 34 4.732 4.732 4.714 0.018 18484 3715 1 9 . 1 1 34 34 ARG CA C 34 53.635 53.635 53.972 -0.337 18484 3716 1 9 . 1 1 34 34 ARG CB C 34 30.581 30.581 32.545 -1.964 18484 3717 1 9 . 1 1 34 34 ARG H H 34 8.438 8.438 8.413 0.025 18484 3718 1 9 . 1 1 35 35 PRO HA H 35 4.667 4.667 4.583 0.084 18484 3719 1 9 . 1 1 35 35 PRO CA C 35 61.995 61.995 62.649 -0.654 18484 3720 1 9 . 1 1 35 35 PRO CB C 35 32.459 32.459 32.398 0.061 18484 3721 1 9 . 1 1 36 36 GLU N N 36 121.398 121.398 121.522 -0.124 18484 3722 1 9 . 1 1 36 36 GLU HA H 36 4.509 4.509 4.353 0.156 18484 3723 1 9 . 1 1 36 36 GLU CA C 36 55.563 55.563 55.559 0.004 18484 3724 1 9 . 1 1 36 36 GLU CB C 36 31.628 31.628 30.283 1.345 18484 3725 1 9 . 1 1 36 36 GLU H H 36 8.663 8.663 8.596 0.067 18484 3726 1 9 . 1 1 37 37 LEU N N 37 125.233 125.233 120.518 4.715 18484 3727 1 9 . 1 1 37 37 LEU HA H 37 5.240 5.240 4.524 0.716 18484 3728 1 9 . 1 1 37 37 LEU CA C 37 54.120 54.120 54.447 -0.327 18484 3729 1 9 . 1 1 37 37 LEU CB C 37 42.407 42.407 42.480 -0.072 18484 3730 1 9 . 1 1 37 37 LEU H H 37 8.352 8.352 8.532 -0.180 18484 3731 1 9 . 1 1 38 38 ILE N N 38 121.904 121.904 126.987 -5.083 18484 3732 1 9 . 1 1 38 38 ILE HA H 38 4.775 4.775 4.520 0.255 18484 3733 1 9 . 1 1 38 38 ILE CA C 38 58.065 58.065 58.702 -0.637 18484 3734 1 9 . 1 1 38 38 ILE CB C 38 41.790 41.790 41.796 -0.006 18484 3735 1 9 . 1 1 38 38 ILE H H 38 9.224 9.224 8.632 0.592 18484 3736 1 9 . 1 1 39 39 THR N N 39 111.692 111.692 113.881 -2.189 18484 3737 1 9 . 1 1 39 39 THR HA H 39 5.443 5.443 5.003 0.440 18484 3738 1 9 . 1 1 39 39 THR CA C 39 57.825 57.825 60.987 -3.162 18484 3739 1 9 . 1 1 39 39 THR CB C 39 70.337 70.337 70.893 -0.556 18484 3740 1 9 . 1 1 39 39 THR H H 39 8.077 8.077 8.201 -0.124 18484 3741 1 9 . 1 1 40 40 ARG N N 40 121.666 121.666 123.811 -2.145 18484 3742 1 9 . 1 1 40 40 ARG HA H 40 4.707 4.707 4.555 0.152 18484 3743 1 9 . 1 1 40 40 ARG CA C 40 55.674 55.674 56.033 -0.359 18484 3744 1 9 . 1 1 40 40 ARG CB C 40 34.932 34.932 32.414 2.518 18484 3745 1 9 . 1 1 40 40 ARG H H 40 8.558 8.558 9.113 -0.555 18484 3746 1 9 . 1 1 41 41 THR N N 41 115.335 115.335 122.228 -6.893 18484 3747 1 9 . 1 1 41 41 THR HA H 41 5.345 5.345 4.953 0.392 18484 3748 1 9 . 1 1 41 41 THR CA C 41 59.028 59.028 61.959 -2.932 18484 3749 1 9 . 1 1 41 41 THR CB C 41 70.332 70.332 69.908 0.424 18484 3750 1 9 . 1 1 41 41 THR H H 41 8.532 8.532 8.513 0.019 18484 3751 1 9 . 1 1 42 42 GLU N N 42 122.278 122.278 127.460 -5.182 18484 3752 1 9 . 1 1 42 42 GLU HA H 42 4.705 4.705 4.578 0.127 18484 3753 1 9 . 1 1 42 42 GLU CA C 42 54.318 54.318 54.456 -0.139 18484 3754 1 9 . 1 1 42 42 GLU CB C 42 33.984 33.984 31.048 2.936 18484 3755 1 9 . 1 1 42 42 GLU H H 42 9.049 9.049 8.244 0.805 18484 3756 1 9 . 1 1 43 43 GLU N N 43 122.782 122.782 122.503 0.279 18484 3757 1 9 . 1 1 43 43 GLU HA H 43 4.659 4.659 4.354 0.305 18484 3758 1 9 . 1 1 43 43 GLU CA C 43 56.074 56.074 56.764 -0.689 18484 3759 1 9 . 1 1 43 43 GLU CB C 43 31.559 31.559 29.162 2.397 18484 3760 1 9 . 1 1 43 43 GLU H H 43 8.722 8.722 8.608 0.114 18484 3761 1 9 . 1 1 44 44 ILE N N 44 123.255 123.255 126.430 -3.175 18484 3762 1 9 . 1 1 44 44 ILE HA H 44 4.557 4.557 4.386 0.171 18484 3763 1 9 . 1 1 44 44 ILE CA C 44 55.622 55.622 58.614 -2.992 18484 3764 1 9 . 1 1 44 44 ILE CB C 44 40.902 40.902 38.054 2.848 18484 3765 1 9 . 1 1 44 44 ILE H H 44 7.740 7.740 7.835 -0.095 18484 3766 1 9 . 1 1 45 45 PRO HA H 45 4.177 4.177 4.569 -0.392 18484 3767 1 9 . 1 1 45 45 PRO CA C 45 61.978 61.978 62.093 -0.115 18484 3768 1 9 . 1 1 45 45 PRO CB C 45 32.314 32.314 32.271 0.043 18484 3769 1 9 . 1 1 46 46 PHE N N 46 114.670 114.670 117.620 -2.950 18484 3770 1 9 . 1 1 46 46 PHE HA H 46 4.913 4.913 4.796 0.117 18484 3771 1 9 . 1 1 46 46 PHE CA C 46 54.749 54.749 56.238 -1.489 18484 3772 1 9 . 1 1 46 46 PHE CB C 46 42.057 42.057 40.692 1.365 18484 3773 1 9 . 1 1 46 46 PHE H H 46 6.912 6.912 7.947 -1.035 18484 3774 1 9 . 1 1 47 47 GLU N N 47 120.217 120.217 119.716 0.501 18484 3775 1 9 . 1 1 47 47 GLU HA H 47 4.600 4.600 4.374 0.226 18484 3776 1 9 . 1 1 47 47 GLU CA C 47 54.771 54.771 55.546 -0.775 18484 3777 1 9 . 1 1 47 47 GLU CB C 47 32.338 32.338 32.457 -0.119 18484 3778 1 9 . 1 1 47 47 GLU H H 47 8.271 8.271 8.822 -0.551 18484 3779 1 9 . 1 1 48 48 VAL N N 48 121.331 121.331 125.252 -3.921 18484 3780 1 9 . 1 1 48 48 VAL HA H 48 4.734 4.734 4.420 0.314 18484 3781 1 9 . 1 1 48 48 VAL CA C 48 61.472 61.472 62.464 -0.992 18484 3782 1 9 . 1 1 48 48 VAL CB C 48 32.699 32.699 32.746 -0.047 18484 3783 1 9 . 1 1 48 48 VAL H H 48 8.625 8.625 8.501 0.124 18484 3784 1 9 . 1 1 49 49 ILE N N 49 132.310 132.310 126.105 6.205 18484 3785 1 9 . 1 1 49 49 ILE HA H 49 4.205 4.205 4.452 -0.247 18484 3786 1 9 . 1 1 49 49 ILE CA C 49 58.886 58.886 60.306 -1.420 18484 3787 1 9 . 1 1 49 49 ILE CB C 49 39.037 39.037 41.673 -2.636 18484 3788 1 9 . 1 1 49 49 ILE H H 49 9.505 9.505 8.626 0.879 18484 3789 1 9 . 1 1 50 50 LYS N N 50 125.764 125.764 123.648 2.116 18484 3790 1 9 . 1 1 50 50 LYS HA H 50 5.284 5.284 4.724 0.560 18484 3791 1 9 . 1 1 50 50 LYS CA C 50 54.802 54.802 55.166 -0.364 18484 3792 1 9 . 1 1 50 50 LYS CB C 50 34.186 34.186 32.894 1.292 18484 3793 1 9 . 1 1 50 50 LYS H H 50 8.507 8.507 8.514 -0.007 18484 3794 1 9 . 1 1 51 51 LYS N N 51 124.935 124.935 123.889 1.046 18484 3795 1 9 . 1 1 51 51 LYS HA H 51 4.608 4.608 4.644 -0.036 18484 3796 1 9 . 1 1 51 51 LYS CA C 51 54.006 54.006 54.167 -0.161 18484 3797 1 9 . 1 1 51 51 LYS CB C 51 34.756 34.756 34.049 0.707 18484 3798 1 9 . 1 1 51 51 LYS H H 51 9.066 9.066 8.387 0.679 18484 3799 1 9 . 1 1 52 52 GLU N N 52 124.186 124.186 121.167 3.019 18484 3800 1 9 . 1 1 52 52 GLU HA H 52 4.621 4.621 4.909 -0.288 18484 3801 1 9 . 1 1 52 52 GLU CA C 52 55.931 55.931 55.322 0.609 18484 3802 1 9 . 1 1 52 52 GLU CB C 52 31.036 31.036 30.838 0.198 18484 3803 1 9 . 1 1 52 52 GLU H H 52 8.777 8.777 8.536 0.241 18484 3804 1 9 . 1 1 53 53 ASN N N 53 121.687 121.687 122.820 -1.133 18484 3805 1 9 . 1 1 53 53 ASN HA H 53 5.240 5.240 5.135 0.105 18484 3806 1 9 . 1 1 53 53 ASN CA C 53 49.409 49.409 50.579 -1.170 18484 3807 1 9 . 1 1 53 53 ASN CB C 53 40.473 40.473 38.966 1.507 18484 3808 1 9 . 1 1 53 53 ASN H H 53 8.890 8.890 8.374 0.516 18484 3809 1 9 . 1 1 54 54 PRO HA H 54 4.587 4.587 4.558 0.029 18484 3810 1 9 . 1 1 54 54 PRO CA C 54 62.650 62.650 63.152 -0.502 18484 3811 1 9 . 1 1 54 54 PRO CB C 54 32.219 32.219 29.697 2.522 18484 3812 1 9 . 1 1 55 55 ASN N N 55 115.629 115.629 117.827 -2.198 18484 3813 1 9 . 1 1 55 55 ASN HA H 55 4.695 4.695 4.723 -0.028 18484 3814 1 9 . 1 1 55 55 ASN CA C 55 53.685 53.685 53.483 0.202 18484 3815 1 9 . 1 1 55 55 ASN CB C 55 39.137 39.137 39.976 -0.839 18484 3816 1 9 . 1 1 55 55 ASN H H 55 8.422 8.422 8.647 -0.225 18484 3817 1 9 . 1 1 56 56 LEU N N 56 121.277 121.277 120.669 0.608 18484 3818 1 9 . 1 1 56 56 LEU HA H 56 4.686 4.686 4.863 -0.177 18484 3819 1 9 . 1 1 56 56 LEU CA C 56 52.145 52.145 51.614 0.531 18484 3820 1 9 . 1 1 56 56 LEU CB C 56 42.456 42.456 42.985 -0.529 18484 3821 1 9 . 1 1 56 56 LEU H H 56 7.278 7.278 7.637 -0.359 18484 3822 1 9 . 1 1 57 57 PRO HA H 57 4.298 4.298 4.544 -0.246 18484 3823 1 9 . 1 1 57 57 PRO CA C 57 61.332 61.332 62.905 -1.573 18484 3824 1 9 . 1 1 57 57 PRO CB C 57 32.232 32.232 31.433 0.799 18484 3825 1 9 . 1 1 58 58 ALA N N 58 123.896 123.896 121.784 2.112 18484 3826 1 9 . 1 1 58 58 ALA HA H 58 3.892 3.892 4.189 -0.297 18484 3827 1 9 . 1 1 58 58 ALA CA C 58 53.559 53.559 52.805 0.754 18484 3828 1 9 . 1 1 58 58 ALA CB C 58 19.480 19.480 18.573 0.907 18484 3829 1 9 . 1 1 58 58 ALA H H 58 8.263 8.263 7.596 0.667 18484 3830 1 9 . 1 1 59 59 GLY N N 59 110.843 110.843 110.678 0.165 18484 3831 1 9 . 1 1 59 59 GLY CA C 59 45.339 45.339 45.678 -0.339 18484 3832 1 9 . 1 1 59 59 GLY H H 59 8.755 8.755 8.416 0.339 18484 3833 1 9 . 1 1 60 60 GLN N N 60 121.444 121.444 118.094 3.350 18484 3834 1 9 . 1 1 60 60 GLN HA H 60 4.251 4.251 4.529 -0.278 18484 3835 1 9 . 1 1 60 60 GLN CA C 60 56.080 56.080 53.970 2.110 18484 3836 1 9 . 1 1 60 60 GLN CB C 60 29.876 29.876 30.489 -0.613 18484 3837 1 9 . 1 1 60 60 GLN H H 60 7.877 7.877 8.077 -0.200 18484 3838 1 9 . 1 1 61 61 GLU N N 61 123.364 123.364 126.709 -3.345 18484 3839 1 9 . 1 1 61 61 GLU HA H 61 5.241 5.241 5.258 -0.017 18484 3840 1 9 . 1 1 61 61 GLU CA C 61 55.012 55.012 54.252 0.760 18484 3841 1 9 . 1 1 61 61 GLU CB C 61 32.368 32.368 31.665 0.703 18484 3842 1 9 . 1 1 61 61 GLU H H 61 8.419 8.419 8.669 -0.250 18484 3843 1 9 . 1 1 62 62 ASN N N 62 121.499 121.499 120.131 1.368 18484 3844 1 9 . 1 1 62 62 ASN HA H 62 5.078 5.078 4.934 0.144 18484 3845 1 9 . 1 1 62 62 ASN CA C 62 51.617 51.617 52.127 -0.510 18484 3846 1 9 . 1 1 62 62 ASN CB C 62 40.999 40.999 40.651 0.348 18484 3847 1 9 . 1 1 62 62 ASN H H 62 9.164 9.164 8.302 0.862 18484 3848 1 9 . 1 1 63 63 ILE N N 63 125.976 125.976 123.568 2.408 18484 3849 1 9 . 1 1 63 63 ILE HA H 63 3.979 3.979 4.201 -0.222 18484 3850 1 9 . 1 1 63 63 ILE CA C 63 61.650 61.650 59.621 2.029 18484 3851 1 9 . 1 1 63 63 ILE CB C 63 37.404 37.404 35.397 2.007 18484 3852 1 9 . 1 1 63 63 ILE H H 63 9.032 9.032 8.680 0.352 18484 3853 1 9 . 1 1 64 64 ILE N N 64 130.073 130.073 127.759 2.314 18484 3854 1 9 . 1 1 64 64 ILE HA H 64 4.139 4.139 3.991 0.148 18484 3855 1 9 . 1 1 64 64 ILE CA C 64 60.699 60.699 63.269 -2.570 18484 3856 1 9 . 1 1 64 64 ILE CB C 64 38.029 38.029 38.540 -0.511 18484 3857 1 9 . 1 1 64 64 ILE H H 64 8.876 8.876 7.923 0.953 18484 3858 1 9 . 1 1 65 65 THR N N 65 116.771 116.771 114.773 1.998 18484 3859 1 9 . 1 1 65 65 THR HA H 65 4.349 4.349 4.483 -0.134 18484 3860 1 9 . 1 1 65 65 THR CA C 65 60.066 60.066 61.053 -0.987 18484 3861 1 9 . 1 1 65 65 THR CB C 65 71.059 71.059 69.224 1.835 18484 3862 1 9 . 1 1 65 65 THR H H 65 7.699 7.699 7.515 0.184 18484 3863 1 9 . 1 1 66 66 ALA N N 66 130.117 130.117 127.673 2.444 18484 3864 1 9 . 1 1 66 66 ALA HA H 66 3.928 3.928 4.099 -0.171 18484 3865 1 9 . 1 1 66 66 ALA CA C 66 51.617 51.617 52.499 -0.882 18484 3866 1 9 . 1 1 66 66 ALA CB C 66 19.653 19.653 19.528 0.125 18484 3867 1 9 . 1 1 66 66 ALA H H 66 8.579 8.579 8.151 0.428 18484 3868 1 9 . 1 1 67 67 GLY N N 67 107.619 107.619 107.427 0.192 18484 3869 1 9 . 1 1 67 67 GLY CA C 67 43.606 43.606 43.944 -0.338 18484 3870 1 9 . 1 1 67 67 GLY H H 67 8.387 8.387 7.885 0.502 18484 3871 1 9 . 1 1 68 68 VAL N N 68 123.776 123.776 123.065 0.711 18484 3872 1 9 . 1 1 68 68 VAL HA H 68 4.124 4.124 4.055 0.069 18484 3873 1 9 . 1 1 68 68 VAL CA C 68 60.443 60.443 60.721 -0.279 18484 3874 1 9 . 1 1 68 68 VAL CB C 68 34.972 34.972 35.708 -0.736 18484 3875 1 9 . 1 1 68 68 VAL H H 68 8.966 8.966 8.338 0.628 18484 3876 1 9 . 1 1 69 69 LYS N N 69 125.803 125.803 127.063 -1.260 18484 3877 1 9 . 1 1 69 69 LYS HA H 69 4.448 4.448 4.339 0.109 18484 3878 1 9 . 1 1 69 69 LYS CA C 69 57.012 57.012 57.794 -0.782 18484 3879 1 9 . 1 1 69 69 LYS CB C 69 33.410 33.410 32.319 1.091 18484 3880 1 9 . 1 1 69 69 LYS H H 69 8.799 8.799 8.925 -0.126 18484 3881 1 9 . 1 1 70 70 GLY N N 70 108.188 108.188 112.533 -4.345 18484 3882 1 9 . 1 1 70 70 GLY CA C 70 43.549 43.549 44.276 -0.727 18484 3883 1 9 . 1 1 70 70 GLY H H 70 8.858 8.858 8.028 0.830 18484 3884 1 9 . 1 1 71 71 GLU N N 71 123.030 123.030 118.368 4.662 18484 3885 1 9 . 1 1 71 71 GLU HA H 71 5.059 5.059 4.547 0.512 18484 3886 1 9 . 1 1 71 71 GLU CA C 71 56.146 56.146 56.496 -0.350 18484 3887 1 9 . 1 1 71 71 GLU CB C 71 36.142 36.142 33.600 2.542 18484 3888 1 9 . 1 1 71 71 GLU H H 71 9.538 9.538 8.382 1.156 18484 3889 1 9 . 1 1 72 72 ARG N N 72 126.426 126.426 123.777 2.649 18484 3890 1 9 . 1 1 72 72 ARG HA H 72 5.059 5.059 4.865 0.194 18484 3891 1 9 . 1 1 72 72 ARG CA C 72 54.001 54.001 55.169 -1.168 18484 3892 1 9 . 1 1 72 72 ARG CB C 72 33.500 33.500 33.352 0.148 18484 3893 1 9 . 1 1 72 72 ARG H H 72 9.191 9.191 8.387 0.804 18484 3894 1 9 . 1 1 73 73 THR N N 73 120.983 120.983 125.580 -4.597 18484 3895 1 9 . 1 1 73 73 THR HA H 73 4.522 4.522 4.466 0.056 18484 3896 1 9 . 1 1 73 73 THR CA C 73 60.953 60.953 64.189 -3.236 18484 3897 1 9 . 1 1 73 73 THR CB C 73 68.412 68.412 69.470 -1.058 18484 3898 1 9 . 1 1 73 73 THR H H 73 9.249 9.249 8.522 0.727 18484 3899 1 9 . 1 1 74 74 HIS N N 74 125.685 125.685 126.269 -0.584 18484 3900 1 9 . 1 1 74 74 HIS HA H 74 5.153 5.153 4.488 0.665 18484 3901 1 9 . 1 1 74 74 HIS CA C 74 54.487 54.487 55.419 -0.932 18484 3902 1 9 . 1 1 74 74 HIS CB C 74 32.997 32.997 31.293 1.704 18484 3903 1 9 . 1 1 74 74 HIS H H 74 9.056 9.056 8.591 0.465 18484 3904 1 9 . 1 1 75 75 TYR N N 75 123.688 123.688 125.250 -1.562 18484 3905 1 9 . 1 1 75 75 TYR HA H 75 4.868 4.868 4.937 -0.069 18484 3906 1 9 . 1 1 75 75 TYR CA C 75 56.499 56.499 54.546 1.953 18484 3907 1 9 . 1 1 75 75 TYR CB C 75 38.425 38.425 36.429 1.996 18484 3908 1 9 . 1 1 75 75 TYR H H 75 8.945 8.945 7.619 1.326 18484 3909 1 9 . 1 1 76 76 ILE N N 76 125.717 125.717 124.121 1.596 18484 3910 1 9 . 1 1 76 76 ILE HA H 76 4.800 4.800 4.337 0.463 18484 3911 1 9 . 1 1 76 76 ILE CA C 76 58.787 58.787 60.125 -1.338 18484 3912 1 9 . 1 1 76 76 ILE CB C 76 42.034 42.034 39.954 2.080 18484 3913 1 9 . 1 1 76 76 ILE H H 76 9.079 9.079 8.141 0.938 18484 3914 1 9 . 1 1 77 77 SER N N 77 120.473 120.473 117.725 2.748 18484 3915 1 9 . 1 1 77 77 SER HA H 77 5.183 5.183 5.117 0.066 18484 3916 1 9 . 1 1 77 77 SER CA C 77 55.930 55.930 56.637 -0.707 18484 3917 1 9 . 1 1 77 77 SER CB C 77 63.118 63.118 64.007 -0.889 18484 3918 1 9 . 1 1 77 77 SER H H 77 9.047 9.047 8.419 0.628 18484 3919 1 9 . 1 1 78 78 VAL N N 78 128.488 128.488 121.729 6.759 18484 3920 1 9 . 1 1 78 78 VAL HA H 78 4.729 4.729 4.469 0.260 18484 3921 1 9 . 1 1 78 78 VAL CA C 78 60.517 60.517 61.440 -0.923 18484 3922 1 9 . 1 1 78 78 VAL CB C 78 33.685 33.685 31.666 2.019 18484 3923 1 9 . 1 1 78 78 VAL H H 78 9.301 9.301 8.412 0.889 18484 3924 1 9 . 1 1 79 79 LEU N N 79 129.698 129.698 128.166 1.532 18484 3925 1 9 . 1 1 79 79 LEU HA H 79 4.783 4.783 4.717 0.066 18484 3926 1 9 . 1 1 79 79 LEU CA C 79 53.873 53.873 53.407 0.466 18484 3927 1 9 . 1 1 79 79 LEU CB C 79 45.605 45.605 43.449 2.156 18484 3928 1 9 . 1 1 79 79 LEU H H 79 8.553 8.553 7.866 0.687 18484 3929 1 9 . 1 1 80 80 THR N N 80 123.276 123.276 122.412 0.864 18484 3930 1 9 . 1 1 80 80 THR HA H 80 5.096 5.096 4.489 0.607 18484 3931 1 9 . 1 1 80 80 THR CA C 80 60.231 60.231 62.121 -1.891 18484 3932 1 9 . 1 1 80 80 THR CB C 80 68.171 68.171 68.932 -0.761 18484 3933 1 9 . 1 1 80 80 THR H H 80 8.754 8.754 8.702 0.052 18484 3934 1 9 . 1 1 81 81 GLU N N 81 125.405 125.405 129.056 -3.651 18484 3935 1 9 . 1 1 81 81 GLU HA H 81 4.530 4.530 4.457 0.073 18484 3936 1 9 . 1 1 81 81 GLU CA C 81 55.372 55.372 55.528 -0.155 18484 3937 1 9 . 1 1 81 81 GLU CB C 81 32.374 32.374 30.767 1.607 18484 3938 1 9 . 1 1 81 81 GLU H H 81 8.615 8.615 8.598 0.017 18484 3939 1 9 . 1 1 82 82 ASN N N 82 124.375 124.375 123.560 0.815 18484 3940 1 9 . 1 1 82 82 ASN HA H 82 4.360 4.360 4.400 -0.040 18484 3941 1 9 . 1 1 82 82 ASN CA C 82 54.328 54.328 53.619 0.709 18484 3942 1 9 . 1 1 82 82 ASN CB C 82 37.432 37.432 38.051 -0.619 18484 3943 1 9 . 1 1 82 82 ASN H H 82 9.559 9.559 9.234 0.325 18484 3944 1 9 . 1 1 83 83 GLY N N 83 103.733 103.733 103.278 0.455 18484 3945 1 9 . 1 1 83 83 GLY CA C 83 45.359 45.359 45.210 0.149 18484 3946 1 9 . 1 1 83 83 GLY H H 83 8.626 8.626 8.521 0.105 18484 3947 1 9 . 1 1 84 84 LYS N N 84 121.407 121.407 119.454 1.953 18484 3948 1 9 . 1 1 84 84 LYS HA H 84 4.698 4.698 4.577 0.121 18484 3949 1 9 . 1 1 84 84 LYS CA C 84 55.182 55.182 55.176 0.006 18484 3950 1 9 . 1 1 84 84 LYS CB C 84 34.807 34.807 35.090 -0.283 18484 3951 1 9 . 1 1 84 84 LYS H H 84 7.813 7.813 7.904 -0.091 18484 3952 1 9 . 1 1 85 85 THR N N 85 121.799 121.799 122.730 -0.931 18484 3953 1 9 . 1 1 85 85 THR HA H 85 5.194 5.194 4.802 0.392 18484 3954 1 9 . 1 1 85 85 THR CA C 85 60.472 60.472 61.745 -1.273 18484 3955 1 9 . 1 1 85 85 THR CB C 85 69.134 69.134 69.160 -0.026 18484 3956 1 9 . 1 1 85 85 THR H H 85 8.796 8.796 8.504 0.292 18484 3957 1 9 . 1 1 86 86 THR N N 86 122.071 122.071 122.517 -0.446 18484 3958 1 9 . 1 1 86 86 THR HA H 86 4.535 4.535 4.587 -0.052 18484 3959 1 9 . 1 1 86 86 THR CA C 86 59.990 59.990 61.661 -1.671 18484 3960 1 9 . 1 1 86 86 THR CB C 86 69.856 69.856 70.872 -1.016 18484 3961 1 9 . 1 1 86 86 THR H H 86 9.134 9.134 8.121 1.013 18484 3962 1 9 . 1 1 87 87 GLU N N 87 126.429 126.429 124.005 2.424 18484 3963 1 9 . 1 1 87 87 GLU HA H 87 5.030 5.030 4.561 0.469 18484 3964 1 9 . 1 1 87 87 GLU CA C 87 55.029 55.029 56.086 -1.057 18484 3965 1 9 . 1 1 87 87 GLU CB C 87 31.746 31.746 30.410 1.336 18484 3966 1 9 . 1 1 87 87 GLU H H 87 8.905 8.905 8.671 0.234 18484 3967 1 9 . 1 1 88 88 THR N N 88 120.353 120.353 121.478 -1.125 18484 3968 1 9 . 1 1 88 88 THR HA H 88 4.450 4.450 4.539 -0.089 18484 3969 1 9 . 1 1 88 88 THR CA C 88 60.472 60.472 61.524 -1.052 18484 3970 1 9 . 1 1 88 88 THR CB C 88 70.646 70.646 70.860 -0.214 18484 3971 1 9 . 1 1 88 88 THR H H 88 9.016 9.016 8.599 0.417 18484 3972 1 9 . 1 1 89 89 VAL N N 89 128.484 128.484 127.732 0.752 18484 3973 1 9 . 1 1 89 89 VAL HA H 89 3.978 3.978 3.898 0.080 18484 3974 1 9 . 1 1 89 89 VAL CA C 89 62.471 62.471 64.162 -1.691 18484 3975 1 9 . 1 1 89 89 VAL CB C 89 31.216 31.216 32.530 -1.314 18484 3976 1 9 . 1 1 89 89 VAL H H 89 9.054 9.054 8.873 0.181 18484 3977 1 9 . 1 1 90 90 LEU N N 90 130.587 130.587 130.313 0.274 18484 3978 1 9 . 1 1 90 90 LEU HA H 90 4.325 4.325 4.580 -0.255 18484 3979 1 9 . 1 1 90 90 LEU CA C 90 56.129 56.129 54.855 1.274 18484 3980 1 9 . 1 1 90 90 LEU CB C 90 42.958 42.958 43.242 -0.284 18484 3981 1 9 . 1 1 90 90 LEU H H 90 9.426 9.426 8.636 0.790 18484 3982 1 9 . 1 1 91 91 ASP N N 91 114.928 114.928 116.239 -1.311 18484 3983 1 9 . 1 1 91 91 ASP HA H 91 4.846 4.846 4.649 0.197 18484 3984 1 9 . 1 1 91 91 ASP CA C 91 53.688 53.688 54.168 -0.480 18484 3985 1 9 . 1 1 91 91 ASP CB C 91 43.521 43.521 43.831 -0.310 18484 3986 1 9 . 1 1 91 91 ASP H H 91 7.924 7.924 7.952 -0.028 18484 3987 1 9 . 1 1 92 92 SER N N 92 117.203 117.203 116.906 0.297 18484 3988 1 9 . 1 1 92 92 SER HA H 92 5.519 5.519 2.696 2.823 18484 3989 1 9 . 1 1 92 92 SER CA C 92 56.622 56.622 56.767 -0.145 18484 3990 1 9 . 1 1 92 92 SER CB C 92 63.359 63.359 65.143 -1.784 18484 3991 1 9 . 1 1 92 92 SER H H 92 8.376 8.376 7.955 0.421 18484 3992 1 9 . 1 1 93 93 GLN N N 93 122.058 122.058 119.889 2.169 18484 3993 1 9 . 1 1 93 93 GLN HA H 93 4.731 4.731 4.568 0.163 18484 3994 1 9 . 1 1 93 93 GLN CA C 93 54.781 54.781 53.488 1.293 18484 3995 1 9 . 1 1 93 93 GLN CB C 93 33.312 33.312 32.198 1.114 18484 3996 1 9 . 1 1 93 93 GLN H H 93 9.005 9.005 7.938 1.067 18484 3997 1 9 . 1 1 94 94 VAL N N 94 125.231 125.231 117.046 8.185 18484 3998 1 9 . 1 1 94 94 VAL HA H 94 4.233 4.233 4.253 -0.020 18484 3999 1 9 . 1 1 94 94 VAL CA C 94 63.282 63.282 62.223 1.059 18484 4000 1 9 . 1 1 94 94 VAL CB C 94 30.906 30.906 31.411 -0.505 18484 4001 1 9 . 1 1 94 94 VAL H H 94 9.085 9.085 8.454 0.630 18484 4002 1 9 . 1 1 95 95 THR N N 95 121.170 121.170 120.543 0.627 18484 4003 1 9 . 1 1 95 95 THR HA H 95 4.384 4.384 4.475 -0.091 18484 4004 1 9 . 1 1 95 95 THR CA C 95 60.953 60.953 61.325 -0.372 18484 4005 1 9 . 1 1 95 95 THR CB C 95 68.653 68.653 68.122 0.531 18484 4006 1 9 . 1 1 95 95 THR H H 95 8.521 8.521 8.463 0.058 18484 4007 1 9 . 1 1 96 96 LYS N N 96 123.236 123.236 124.616 -1.380 18484 4008 1 9 . 1 1 96 96 LYS HA H 96 4.418 4.418 4.120 0.298 18484 4009 1 9 . 1 1 96 96 LYS CA C 96 56.418 56.418 57.374 -0.956 18484 4010 1 9 . 1 1 96 96 LYS CB C 96 35.690 35.690 32.578 3.112 18484 4011 1 9 . 1 1 96 96 LYS H H 96 7.912 7.912 8.327 -0.415 18484 4012 1 9 . 1 1 97 97 GLU N N 97 125.835 125.835 118.981 6.854 18484 4013 1 9 . 1 1 97 97 GLU HA H 97 4.151 4.151 3.936 0.215 18484 4014 1 9 . 1 1 97 97 GLU CA C 97 56.412 56.412 56.999 -0.587 18484 4015 1 9 . 1 1 97 97 GLU CB C 97 29.948 29.948 29.088 0.860 18484 4016 1 9 . 1 1 97 97 GLU H H 97 8.665 8.665 7.955 0.710 18484 4017 1 9 . 1 1 98 98 VAL N N 98 122.204 122.204 122.940 -0.736 18484 4018 1 9 . 1 1 98 98 VAL HA H 98 3.915 3.915 4.153 -0.238 18484 4019 1 9 . 1 1 98 98 VAL CA C 98 60.208 60.208 62.612 -2.404 18484 4020 1 9 . 1 1 98 98 VAL CB C 98 33.692 33.692 32.475 1.217 18484 4021 1 9 . 1 1 98 98 VAL H H 98 8.339 8.339 8.337 0.002 18484 4022 1 9 . 1 1 99 99 ILE N N 99 127.874 127.874 130.244 -2.370 18484 4023 1 9 . 1 1 99 99 ILE HA H 99 4.197 4.197 4.061 0.136 18484 4024 1 9 . 1 1 99 99 ILE CA C 99 60.606 60.606 60.240 0.366 18484 4025 1 9 . 1 1 99 99 ILE CB C 99 39.186 39.186 37.177 2.009 18484 4026 1 9 . 1 1 99 99 ILE H H 99 8.608 8.608 8.691 -0.083 18484 4027 1 9 . 1 1 100 100 ASN N N 100 123.343 123.343 126.442 -3.099 18484 4028 1 9 . 1 1 100 100 ASN HA H 100 4.914 4.914 4.883 0.030 18484 4029 1 9 . 1 1 100 100 ASN CA C 100 53.704 53.704 51.910 1.794 18484 4030 1 9 . 1 1 100 100 ASN CB C 100 37.731 37.731 39.572 -1.841 18484 4031 1 9 . 1 1 100 100 ASN H H 100 8.446 8.446 8.546 -0.100 18484 4032 1 9 . 1 1 101 101 GLN N N 101 120.980 120.980 123.312 -2.332 18484 4033 1 9 . 1 1 101 101 GLN HA H 101 4.325 4.325 4.437 -0.112 18484 4034 1 9 . 1 1 101 101 GLN CA C 101 54.659 54.659 55.738 -1.079 18484 4035 1 9 . 1 1 101 101 GLN CB C 101 31.616 31.616 28.493 3.123 18484 4036 1 9 . 1 1 101 101 GLN H H 101 8.254 8.254 8.749 -0.495 18484 4037 1 9 . 1 1 102 102 VAL N N 102 127.057 127.057 122.494 4.563 18484 4038 1 9 . 1 1 102 102 VAL HA H 102 4.965 4.965 4.283 0.682 18484 4039 1 9 . 1 1 102 102 VAL CA C 102 60.264 60.264 61.152 -0.888 18484 4040 1 9 . 1 1 102 102 VAL CB C 102 33.626 33.626 31.987 1.639 18484 4041 1 9 . 1 1 102 102 VAL H H 102 8.742 8.742 8.437 0.305 18484 4042 1 9 . 1 1 103 103 VAL N N 103 127.794 127.794 126.843 0.951 18484 4043 1 9 . 1 1 103 103 VAL HA H 103 4.812 4.812 5.010 -0.198 18484 4044 1 9 . 1 1 103 103 VAL CA C 103 58.547 58.547 59.694 -1.147 18484 4045 1 9 . 1 1 103 103 VAL CB C 103 35.718 35.718 35.186 0.532 18484 4046 1 9 . 1 1 103 103 VAL H H 103 9.160 9.160 7.727 1.433 18484 4047 1 9 . 1 1 104 104 GLU N N 104 125.160 125.160 129.154 -3.994 18484 4048 1 9 . 1 1 104 104 GLU HA H 104 5.513 5.513 4.459 1.054 18484 4049 1 9 . 1 1 104 104 GLU CA C 104 53.721 53.721 55.548 -1.827 18484 4050 1 9 . 1 1 104 104 GLU CB C 104 32.383 32.383 30.371 2.012 18484 4051 1 9 . 1 1 104 104 GLU H H 104 9.085 9.085 8.103 0.982 18484 4052 1 9 . 1 1 105 105 VAL N N 105 117.602 117.602 125.464 -7.862 18484 4053 1 9 . 1 1 105 105 VAL HA H 105 5.241 5.241 4.682 0.559 18484 4054 1 9 . 1 1 105 105 VAL CA C 105 57.055 57.055 61.017 -3.962 18484 4055 1 9 . 1 1 105 105 VAL CB C 105 35.204 35.204 33.570 1.634 18484 4056 1 9 . 1 1 105 105 VAL H H 105 8.536 8.536 7.837 0.699 18484 4057 1 9 . 1 1 106 106 GLY N N 106 111.023 111.023 115.496 -4.473 18484 4058 1 9 . 1 1 106 106 GLY CA C 106 46.117 46.117 45.357 0.760 18484 4059 1 9 . 1 1 106 106 GLY H H 106 8.635 8.635 8.233 0.402 18484 4060 1 9 . 1 1 107 107 ALA N N 107 127.369 127.369 127.774 -0.405 18484 4061 1 9 . 1 1 107 107 ALA HA H 107 4.515 4.515 4.786 -0.271 18484 4062 1 9 . 1 1 107 107 ALA CA C 107 50.477 50.477 49.561 0.916 18484 4063 1 9 . 1 1 107 107 ALA CB C 107 19.924 19.924 19.639 0.285 18484 4064 1 9 . 1 1 107 107 ALA H H 107 7.929 7.929 7.889 0.040 18484 4065 1 9 . 1 1 108 108 PRO HA H 108 4.494 4.494 4.445 0.049 18484 4066 1 9 . 1 1 108 108 PRO CA C 108 61.698 61.698 62.206 -0.508 18484 4067 1 9 . 1 1 108 108 PRO CB C 108 31.900 31.900 32.139 -0.239 18484 4068 1 9 . 1 1 109 109 VAL N N 109 119.821 119.821 119.476 0.345 18484 4069 1 9 . 1 1 109 109 VAL HA H 109 4.092 4.092 3.984 0.108 18484 4070 1 9 . 1 1 109 109 VAL CA C 109 60.949 60.949 63.828 -2.878 18484 4071 1 9 . 1 1 109 109 VAL CB C 109 32.389 32.389 31.764 0.625 18484 4072 1 9 . 1 1 109 109 VAL H H 109 8.303 8.303 8.092 0.211 18484 4073 1 9 . 1 1 110 110 THR N N 110 118.171 118.171 118.128 0.043 18484 4074 1 9 . 1 1 110 110 THR HA H 110 4.338 4.338 4.547 -0.209 18484 4075 1 9 . 1 1 110 110 THR CA C 110 59.028 59.028 61.171 -2.143 18484 4076 1 9 . 1 1 110 110 THR CB C 110 67.676 67.676 70.585 -2.909 18484 4077 1 9 . 1 1 110 110 THR H H 110 8.209 8.209 7.939 0.270 18484 4078 1 10 . 1 1 2 2 GLY N N 2 110.403 110.403 111.332 -0.929 18484 4079 1 10 . 1 1 2 2 GLY H H 2 8.459 8.459 8.582 -0.123 18484 4080 1 10 . 1 1 10 10 SER HA H 10 4.435 4.435 4.722 -0.287 18484 4081 1 10 . 1 1 11 11 SER CA C 11 57.649 57.649 58.104 -0.455 18484 4082 1 10 . 1 1 11 11 SER CB C 11 62.672 62.672 65.460 -2.788 18484 4083 1 10 . 1 1 12 12 GLY N N 12 110.471 110.471 109.384 1.087 18484 4084 1 10 . 1 1 12 12 GLY CA C 12 45.312 45.312 45.418 -0.106 18484 4085 1 10 . 1 1 12 12 GLY H H 12 8.365 8.365 8.423 -0.058 18484 4086 1 10 . 1 1 13 13 LEU N N 13 121.432 121.432 122.717 -1.285 18484 4087 1 10 . 1 1 13 13 LEU HA H 13 4.327 4.327 4.257 0.070 18484 4088 1 10 . 1 1 13 13 LEU CA C 13 55.573 55.573 55.120 0.453 18484 4089 1 10 . 1 1 13 13 LEU CB C 13 42.428 42.428 41.580 0.848 18484 4090 1 10 . 1 1 13 13 LEU H H 13 8.024 8.024 7.851 0.173 18484 4091 1 10 . 1 1 14 14 VAL N N 14 122.309 122.309 118.644 3.665 18484 4092 1 10 . 1 1 14 14 VAL H H 14 8.062 8.062 8.322 -0.260 18484 4093 1 10 . 1 1 16 16 ARG N N 16 121.951 121.951 123.442 -1.491 18484 4094 1 10 . 1 1 16 16 ARG HA H 16 4.312 4.312 4.535 -0.223 18484 4095 1 10 . 1 1 16 16 ARG CA C 16 56.102 56.102 55.642 0.460 18484 4096 1 10 . 1 1 16 16 ARG CB C 16 30.891 30.891 32.729 -1.838 18484 4097 1 10 . 1 1 16 16 ARG H H 16 8.465 8.465 8.141 0.324 18484 4098 1 10 . 1 1 20 20 MET HA H 20 4.435 4.435 4.374 0.061 18484 4099 1 10 . 1 1 20 20 MET CA C 20 55.500 55.500 56.580 -1.080 18484 4100 1 10 . 1 1 20 20 MET CB C 20 32.070 32.070 33.232 -1.162 18484 4101 1 10 . 1 1 21 21 SER N N 21 117.005 117.005 112.830 4.175 18484 4102 1 10 . 1 1 21 21 SER HA H 21 4.435 4.435 4.200 0.235 18484 4103 1 10 . 1 1 21 21 SER CA C 21 57.066 57.066 58.767 -1.701 18484 4104 1 10 . 1 1 21 21 SER CB C 21 62.566 62.566 62.358 0.208 18484 4105 1 10 . 1 1 21 21 SER H H 21 8.332 8.332 8.210 0.122 18484 4106 1 10 . 1 1 22 22 LEU N N 22 124.083 124.083 120.810 3.273 18484 4107 1 10 . 1 1 22 22 LEU HA H 22 4.348 4.348 4.298 0.050 18484 4108 1 10 . 1 1 22 22 LEU CA C 22 55.471 55.471 55.366 0.105 18484 4109 1 10 . 1 1 22 22 LEU CB C 22 42.322 42.322 42.829 -0.507 18484 4110 1 10 . 1 1 22 22 LEU H H 22 8.340 8.340 7.777 0.563 18484 4111 1 10 . 1 1 23 23 ASP N N 23 120.867 120.867 116.400 4.467 18484 4112 1 10 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.603 -0.037 18484 4113 1 10 . 1 1 23 23 ASP CA C 23 54.687 54.687 53.818 0.869 18484 4114 1 10 . 1 1 23 23 ASP CB C 23 41.553 41.553 40.426 1.127 18484 4115 1 10 . 1 1 23 23 ASP H H 23 8.312 8.312 8.450 -0.138 18484 4116 1 10 . 1 1 24 24 GLU N N 24 121.470 121.470 118.913 2.557 18484 4117 1 10 . 1 1 24 24 GLU HA H 24 4.566 4.566 4.324 0.242 18484 4118 1 10 . 1 1 24 24 GLU CA C 24 56.921 56.921 56.758 0.163 18484 4119 1 10 . 1 1 24 24 GLU CB C 24 30.015 30.015 29.915 0.100 18484 4120 1 10 . 1 1 24 24 GLU H H 24 8.411 8.411 8.149 0.262 18484 4121 1 10 . 1 1 25 25 ASN N N 25 118.582 118.582 119.664 -1.082 18484 4122 1 10 . 1 1 25 25 ASN HA H 25 4.707 4.707 4.599 0.108 18484 4123 1 10 . 1 1 25 25 ASN CA C 25 53.593 53.593 53.495 0.097 18484 4124 1 10 . 1 1 25 25 ASN CB C 25 39.188 39.188 39.046 0.142 18484 4125 1 10 . 1 1 25 25 ASN H H 25 8.436 8.436 8.211 0.225 18484 4126 1 10 . 1 1 26 26 GLU N N 26 121.262 121.262 124.540 -3.278 18484 4127 1 10 . 1 1 26 26 GLU HA H 26 4.247 4.247 4.271 -0.024 18484 4128 1 10 . 1 1 26 26 GLU CA C 26 56.310 56.310 56.100 0.210 18484 4129 1 10 . 1 1 26 26 GLU CB C 26 30.342 30.342 30.636 -0.294 18484 4130 1 10 . 1 1 26 26 GLU H H 26 8.196 8.196 8.521 -0.325 18484 4131 1 10 . 1 1 27 27 VAL N N 27 121.381 121.381 120.217 1.164 18484 4132 1 10 . 1 1 27 27 VAL HA H 27 4.036 4.036 3.919 0.117 18484 4133 1 10 . 1 1 27 27 VAL CA C 27 62.396 62.396 63.751 -1.355 18484 4134 1 10 . 1 1 27 27 VAL CB C 27 32.770 32.770 32.038 0.732 18484 4135 1 10 . 1 1 27 27 VAL H H 27 8.092 8.092 8.178 -0.086 18484 4136 1 10 . 1 1 28 28 ALA N N 28 127.549 127.549 122.494 5.055 18484 4137 1 10 . 1 1 28 28 ALA HA H 28 4.300 4.300 4.458 -0.158 18484 4138 1 10 . 1 1 28 28 ALA CA C 28 52.388 52.388 51.237 1.151 18484 4139 1 10 . 1 1 28 28 ALA CB C 28 20.383 20.383 19.198 1.185 18484 4140 1 10 . 1 1 28 28 ALA H H 28 8.280 8.280 7.702 0.578 18484 4141 1 10 . 1 1 29 29 ALA N N 29 122.963 122.963 127.106 -4.143 18484 4142 1 10 . 1 1 29 29 ALA HA H 29 4.257 4.257 4.160 0.097 18484 4143 1 10 . 1 1 29 29 ALA CA C 29 52.737 52.737 53.354 -0.617 18484 4144 1 10 . 1 1 29 29 ALA CB C 29 20.585 20.585 19.192 1.393 18484 4145 1 10 . 1 1 29 29 ALA H H 29 8.182 8.182 8.703 -0.521 18484 4146 1 10 . 1 1 30 30 ASN N N 30 117.863 117.863 117.426 0.437 18484 4147 1 10 . 1 1 30 30 ASN HA H 30 4.697 4.697 4.657 0.040 18484 4148 1 10 . 1 1 30 30 ASN CA C 30 53.107 53.107 54.672 -1.565 18484 4149 1 10 . 1 1 30 30 ASN CB C 30 38.876 38.876 38.618 0.258 18484 4150 1 10 . 1 1 30 30 ASN H H 30 8.323 8.323 8.577 -0.254 18484 4151 1 10 . 1 1 31 31 VAL N N 31 120.074 120.074 118.300 1.774 18484 4152 1 10 . 1 1 31 31 VAL HA H 31 4.131 4.131 4.290 -0.159 18484 4153 1 10 . 1 1 31 31 VAL CA C 31 60.983 60.983 62.937 -1.954 18484 4154 1 10 . 1 1 31 31 VAL CB C 31 32.827 32.827 32.666 0.161 18484 4155 1 10 . 1 1 31 31 VAL H H 31 8.041 8.041 7.621 0.420 18484 4156 1 10 . 1 1 32 32 GLU N N 32 124.378 124.378 120.586 3.792 18484 4157 1 10 . 1 1 32 32 GLU HA H 32 4.339 4.339 4.139 0.200 18484 4158 1 10 . 1 1 32 32 GLU CA C 32 56.728 56.728 57.299 -0.571 18484 4159 1 10 . 1 1 32 32 GLU CB C 32 30.439 30.439 29.461 0.978 18484 4160 1 10 . 1 1 32 32 GLU H H 32 8.487 8.487 8.362 0.125 18484 4161 1 10 . 1 1 33 33 THR N N 33 116.772 116.772 112.549 4.223 18484 4162 1 10 . 1 1 33 33 THR HA H 33 4.312 4.312 4.457 -0.145 18484 4163 1 10 . 1 1 33 33 THR CA C 33 60.472 60.472 61.865 -1.393 18484 4164 1 10 . 1 1 33 33 THR CB C 33 68.412 68.412 70.038 -1.626 18484 4165 1 10 . 1 1 33 33 THR H H 33 8.224 8.224 7.537 0.687 18484 4166 1 10 . 1 1 34 34 ARG N N 34 124.955 124.955 125.652 -0.697 18484 4167 1 10 . 1 1 34 34 ARG HA H 34 4.732 4.732 4.465 0.267 18484 4168 1 10 . 1 1 34 34 ARG CA C 34 53.635 53.635 56.531 -2.896 18484 4169 1 10 . 1 1 34 34 ARG CB C 34 30.581 30.581 28.858 1.723 18484 4170 1 10 . 1 1 34 34 ARG H H 34 8.438 8.438 8.534 -0.096 18484 4171 1 10 . 1 1 35 35 PRO HA H 35 4.667 4.667 4.554 0.113 18484 4172 1 10 . 1 1 35 35 PRO CA C 35 61.995 61.995 61.895 0.100 18484 4173 1 10 . 1 1 35 35 PRO CB C 35 32.459 32.459 32.534 -0.075 18484 4174 1 10 . 1 1 36 36 GLU N N 36 121.398 121.398 119.461 1.937 18484 4175 1 10 . 1 1 36 36 GLU HA H 36 4.509 4.509 4.407 0.102 18484 4176 1 10 . 1 1 36 36 GLU CA C 36 55.563 55.563 55.871 -0.308 18484 4177 1 10 . 1 1 36 36 GLU CB C 36 31.628 31.628 29.736 1.891 18484 4178 1 10 . 1 1 36 36 GLU H H 36 8.663 8.663 8.474 0.189 18484 4179 1 10 . 1 1 37 37 LEU N N 37 125.233 125.233 126.378 -1.145 18484 4180 1 10 . 1 1 37 37 LEU HA H 37 5.240 5.240 4.370 0.870 18484 4181 1 10 . 1 1 37 37 LEU CA C 37 54.120 54.120 55.208 -1.088 18484 4182 1 10 . 1 1 37 37 LEU CB C 37 42.407 42.407 41.724 0.683 18484 4183 1 10 . 1 1 37 37 LEU H H 37 8.352 8.352 8.581 -0.229 18484 4184 1 10 . 1 1 38 38 ILE N N 38 121.904 121.904 122.187 -0.283 18484 4185 1 10 . 1 1 38 38 ILE HA H 38 4.775 4.775 4.649 0.126 18484 4186 1 10 . 1 1 38 38 ILE CA C 38 58.065 58.065 59.389 -1.323 18484 4187 1 10 . 1 1 38 38 ILE CB C 38 41.790 41.790 39.917 1.873 18484 4188 1 10 . 1 1 38 38 ILE H H 38 9.224 9.224 8.467 0.757 18484 4189 1 10 . 1 1 39 39 THR N N 39 111.692 111.692 111.644 0.048 18484 4190 1 10 . 1 1 39 39 THR HA H 39 5.443 5.443 4.979 0.464 18484 4191 1 10 . 1 1 39 39 THR CA C 39 57.825 57.825 61.181 -3.356 18484 4192 1 10 . 1 1 39 39 THR CB C 39 70.337 70.337 71.489 -1.152 18484 4193 1 10 . 1 1 39 39 THR H H 39 8.077 8.077 8.170 -0.093 18484 4194 1 10 . 1 1 40 40 ARG N N 40 121.666 121.666 124.896 -3.230 18484 4195 1 10 . 1 1 40 40 ARG HA H 40 4.707 4.707 4.677 0.030 18484 4196 1 10 . 1 1 40 40 ARG CA C 40 55.674 55.674 55.067 0.607 18484 4197 1 10 . 1 1 40 40 ARG CB C 40 34.932 34.932 33.373 1.559 18484 4198 1 10 . 1 1 40 40 ARG H H 40 8.558 8.558 8.940 -0.382 18484 4199 1 10 . 1 1 41 41 THR N N 41 115.335 115.335 119.487 -4.152 18484 4200 1 10 . 1 1 41 41 THR HA H 41 5.345 5.345 4.896 0.449 18484 4201 1 10 . 1 1 41 41 THR CA C 41 59.028 59.028 62.529 -3.501 18484 4202 1 10 . 1 1 41 41 THR CB C 41 70.332 70.332 69.329 1.004 18484 4203 1 10 . 1 1 41 41 THR H H 41 8.532 8.532 8.505 0.027 18484 4204 1 10 . 1 1 42 42 GLU N N 42 122.278 122.278 126.976 -4.698 18484 4205 1 10 . 1 1 42 42 GLU HA H 42 4.705 4.705 4.473 0.232 18484 4206 1 10 . 1 1 42 42 GLU CA C 42 54.318 54.318 54.803 -0.485 18484 4207 1 10 . 1 1 42 42 GLU CB C 42 33.984 33.984 31.482 2.502 18484 4208 1 10 . 1 1 42 42 GLU H H 42 9.049 9.049 8.169 0.880 18484 4209 1 10 . 1 1 43 43 GLU N N 43 122.782 122.782 121.746 1.036 18484 4210 1 10 . 1 1 43 43 GLU HA H 43 4.659 4.659 4.511 0.148 18484 4211 1 10 . 1 1 43 43 GLU CA C 43 56.074 56.074 57.373 -1.299 18484 4212 1 10 . 1 1 43 43 GLU CB C 43 31.559 31.559 29.598 1.961 18484 4213 1 10 . 1 1 43 43 GLU H H 43 8.722 8.722 8.617 0.105 18484 4214 1 10 . 1 1 44 44 ILE N N 44 123.255 123.255 126.661 -3.406 18484 4215 1 10 . 1 1 44 44 ILE HA H 44 4.557 4.557 4.579 -0.022 18484 4216 1 10 . 1 1 44 44 ILE CA C 44 55.622 55.622 58.229 -2.607 18484 4217 1 10 . 1 1 44 44 ILE CB C 44 40.902 40.902 38.145 2.757 18484 4218 1 10 . 1 1 44 44 ILE H H 44 7.740 7.740 8.022 -0.282 18484 4219 1 10 . 1 1 45 45 PRO HA H 45 4.177 4.177 4.558 -0.381 18484 4220 1 10 . 1 1 45 45 PRO CA C 45 61.978 61.978 62.222 -0.244 18484 4221 1 10 . 1 1 45 45 PRO CB C 45 32.314 32.314 32.376 -0.062 18484 4222 1 10 . 1 1 46 46 PHE N N 46 114.670 114.670 117.071 -2.401 18484 4223 1 10 . 1 1 46 46 PHE HA H 46 4.913 4.913 4.753 0.160 18484 4224 1 10 . 1 1 46 46 PHE CA C 46 54.749 54.749 56.559 -1.810 18484 4225 1 10 . 1 1 46 46 PHE CB C 46 42.057 42.057 40.584 1.473 18484 4226 1 10 . 1 1 46 46 PHE H H 46 6.912 6.912 8.013 -1.101 18484 4227 1 10 . 1 1 47 47 GLU N N 47 120.217 120.217 120.421 -0.204 18484 4228 1 10 . 1 1 47 47 GLU HA H 47 4.600 4.600 4.442 0.158 18484 4229 1 10 . 1 1 47 47 GLU CA C 47 54.771 54.771 55.657 -0.886 18484 4230 1 10 . 1 1 47 47 GLU CB C 47 32.338 32.338 32.672 -0.334 18484 4231 1 10 . 1 1 47 47 GLU H H 47 8.271 8.271 8.601 -0.330 18484 4232 1 10 . 1 1 48 48 VAL N N 48 121.331 121.331 123.807 -2.476 18484 4233 1 10 . 1 1 48 48 VAL HA H 48 4.734 4.734 4.249 0.485 18484 4234 1 10 . 1 1 48 48 VAL CA C 48 61.472 61.472 62.352 -0.880 18484 4235 1 10 . 1 1 48 48 VAL CB C 48 32.699 32.699 32.367 0.333 18484 4236 1 10 . 1 1 48 48 VAL H H 48 8.625 8.625 8.382 0.243 18484 4237 1 10 . 1 1 49 49 ILE N N 49 132.310 132.310 124.287 8.023 18484 4238 1 10 . 1 1 49 49 ILE HA H 49 4.205 4.205 4.418 -0.213 18484 4239 1 10 . 1 1 49 49 ILE CA C 49 58.886 58.886 59.987 -1.101 18484 4240 1 10 . 1 1 49 49 ILE CB C 49 39.037 39.037 41.008 -1.970 18484 4241 1 10 . 1 1 49 49 ILE H H 49 9.505 9.505 8.151 1.354 18484 4242 1 10 . 1 1 50 50 LYS N N 50 125.764 125.764 121.925 3.839 18484 4243 1 10 . 1 1 50 50 LYS HA H 50 5.284 5.284 4.548 0.736 18484 4244 1 10 . 1 1 50 50 LYS CA C 50 54.802 54.802 55.720 -0.918 18484 4245 1 10 . 1 1 50 50 LYS CB C 50 34.186 34.186 32.303 1.883 18484 4246 1 10 . 1 1 50 50 LYS H H 50 8.507 8.507 8.314 0.193 18484 4247 1 10 . 1 1 51 51 LYS N N 51 124.935 124.935 124.850 0.085 18484 4248 1 10 . 1 1 51 51 LYS HA H 51 4.608 4.608 4.492 0.116 18484 4249 1 10 . 1 1 51 51 LYS CA C 51 54.006 54.006 55.270 -1.264 18484 4250 1 10 . 1 1 51 51 LYS CB C 51 34.756 34.756 34.055 0.701 18484 4251 1 10 . 1 1 51 51 LYS H H 51 9.066 9.066 8.783 0.283 18484 4252 1 10 . 1 1 52 52 GLU N N 52 124.186 124.186 121.254 2.932 18484 4253 1 10 . 1 1 52 52 GLU HA H 52 4.621 4.621 4.542 0.079 18484 4254 1 10 . 1 1 52 52 GLU CA C 52 55.931 55.931 55.217 0.714 18484 4255 1 10 . 1 1 52 52 GLU CB C 52 31.036 31.036 29.876 1.160 18484 4256 1 10 . 1 1 52 52 GLU H H 52 8.777 8.777 8.532 0.245 18484 4257 1 10 . 1 1 53 53 ASN N N 53 121.687 121.687 123.601 -1.914 18484 4258 1 10 . 1 1 53 53 ASN HA H 53 5.240 5.240 5.106 0.134 18484 4259 1 10 . 1 1 53 53 ASN CA C 53 49.409 49.409 50.193 -0.784 18484 4260 1 10 . 1 1 53 53 ASN CB C 53 40.473 40.473 38.312 2.160 18484 4261 1 10 . 1 1 53 53 ASN H H 53 8.890 8.890 8.343 0.547 18484 4262 1 10 . 1 1 54 54 PRO HA H 54 4.587 4.587 4.392 0.195 18484 4263 1 10 . 1 1 54 54 PRO CA C 54 62.650 62.650 64.603 -1.953 18484 4264 1 10 . 1 1 54 54 PRO CB C 54 32.219 32.219 31.885 0.334 18484 4265 1 10 . 1 1 55 55 ASN N N 55 115.629 115.629 115.491 0.138 18484 4266 1 10 . 1 1 55 55 ASN HA H 55 4.695 4.695 4.502 0.193 18484 4267 1 10 . 1 1 55 55 ASN CA C 55 53.685 53.685 54.105 -0.420 18484 4268 1 10 . 1 1 55 55 ASN CB C 55 39.137 39.137 37.456 1.681 18484 4269 1 10 . 1 1 55 55 ASN H H 55 8.422 8.422 8.152 0.270 18484 4270 1 10 . 1 1 56 56 LEU N N 56 121.277 121.277 121.375 -0.098 18484 4271 1 10 . 1 1 56 56 LEU HA H 56 4.686 4.686 4.422 0.264 18484 4272 1 10 . 1 1 56 56 LEU CA C 56 52.145 52.145 53.287 -1.142 18484 4273 1 10 . 1 1 56 56 LEU CB C 56 42.456 42.456 41.626 0.830 18484 4274 1 10 . 1 1 56 56 LEU H H 56 7.278 7.278 7.527 -0.249 18484 4275 1 10 . 1 1 57 57 PRO HA H 57 4.298 4.298 4.452 -0.154 18484 4276 1 10 . 1 1 57 57 PRO CA C 57 61.332 61.332 62.320 -0.988 18484 4277 1 10 . 1 1 57 57 PRO CB C 57 32.232 32.232 31.173 1.059 18484 4278 1 10 . 1 1 58 58 ALA N N 58 123.896 123.896 120.282 3.614 18484 4279 1 10 . 1 1 58 58 ALA HA H 58 3.892 3.892 3.910 -0.018 18484 4280 1 10 . 1 1 58 58 ALA CA C 58 53.559 53.559 52.748 0.811 18484 4281 1 10 . 1 1 58 58 ALA CB C 58 19.480 19.480 18.260 1.220 18484 4282 1 10 . 1 1 58 58 ALA H H 58 8.263 8.263 7.705 0.558 18484 4283 1 10 . 1 1 59 59 GLY N N 59 110.843 110.843 108.681 2.162 18484 4284 1 10 . 1 1 59 59 GLY CA C 59 45.339 45.339 45.265 0.074 18484 4285 1 10 . 1 1 59 59 GLY H H 59 8.755 8.755 8.236 0.519 18484 4286 1 10 . 1 1 60 60 GLN N N 60 121.444 121.444 122.546 -1.102 18484 4287 1 10 . 1 1 60 60 GLN HA H 60 4.251 4.251 4.259 -0.008 18484 4288 1 10 . 1 1 60 60 GLN CA C 60 56.080 56.080 56.234 -0.154 18484 4289 1 10 . 1 1 60 60 GLN CB C 60 29.876 29.876 29.282 0.595 18484 4290 1 10 . 1 1 60 60 GLN H H 60 7.877 7.877 8.166 -0.289 18484 4291 1 10 . 1 1 61 61 GLU N N 61 123.364 123.364 127.472 -4.108 18484 4292 1 10 . 1 1 61 61 GLU HA H 61 5.241 5.241 4.844 0.397 18484 4293 1 10 . 1 1 61 61 GLU CA C 61 55.012 55.012 55.178 -0.166 18484 4294 1 10 . 1 1 61 61 GLU CB C 61 32.368 32.368 30.884 1.484 18484 4295 1 10 . 1 1 61 61 GLU H H 61 8.419 8.419 8.679 -0.260 18484 4296 1 10 . 1 1 62 62 ASN N N 62 121.499 121.499 122.819 -1.320 18484 4297 1 10 . 1 1 62 62 ASN HA H 62 5.078 5.078 5.039 0.039 18484 4298 1 10 . 1 1 62 62 ASN CA C 62 51.617 51.617 52.228 -0.611 18484 4299 1 10 . 1 1 62 62 ASN CB C 62 40.999 40.999 40.404 0.595 18484 4300 1 10 . 1 1 62 62 ASN H H 62 9.164 9.164 8.308 0.856 18484 4301 1 10 . 1 1 63 63 ILE N N 63 125.976 125.976 122.176 3.800 18484 4302 1 10 . 1 1 63 63 ILE HA H 63 3.979 3.979 4.050 -0.071 18484 4303 1 10 . 1 1 63 63 ILE CA C 63 61.650 61.650 61.735 -0.085 18484 4304 1 10 . 1 1 63 63 ILE CB C 63 37.404 37.404 38.289 -0.886 18484 4305 1 10 . 1 1 63 63 ILE H H 63 9.032 9.032 8.646 0.386 18484 4306 1 10 . 1 1 64 64 ILE N N 64 130.073 130.073 127.522 2.551 18484 4307 1 10 . 1 1 64 64 ILE HA H 64 4.139 4.139 4.253 -0.114 18484 4308 1 10 . 1 1 64 64 ILE CA C 64 60.699 60.699 61.337 -0.638 18484 4309 1 10 . 1 1 64 64 ILE CB C 64 38.029 38.029 38.523 -0.494 18484 4310 1 10 . 1 1 64 64 ILE H H 64 8.876 8.876 9.070 -0.194 18484 4311 1 10 . 1 1 65 65 THR N N 65 116.771 116.771 115.884 0.887 18484 4312 1 10 . 1 1 65 65 THR HA H 65 4.349 4.349 4.417 -0.068 18484 4313 1 10 . 1 1 65 65 THR CA C 65 60.066 60.066 61.369 -1.303 18484 4314 1 10 . 1 1 65 65 THR CB C 65 71.059 71.059 70.336 0.723 18484 4315 1 10 . 1 1 65 65 THR H H 65 7.699 7.699 7.500 0.199 18484 4316 1 10 . 1 1 66 66 ALA N N 66 130.117 130.117 129.985 0.132 18484 4317 1 10 . 1 1 66 66 ALA HA H 66 3.928 3.928 4.091 -0.163 18484 4318 1 10 . 1 1 66 66 ALA CA C 66 51.617 51.617 52.819 -1.202 18484 4319 1 10 . 1 1 66 66 ALA CB C 66 19.653 19.653 19.189 0.464 18484 4320 1 10 . 1 1 66 66 ALA H H 66 8.579 8.579 8.272 0.307 18484 4321 1 10 . 1 1 67 67 GLY N N 67 107.619 107.619 111.255 -3.636 18484 4322 1 10 . 1 1 67 67 GLY CA C 67 43.606 43.606 44.244 -0.638 18484 4323 1 10 . 1 1 67 67 GLY H H 67 8.387 8.387 8.117 0.270 18484 4324 1 10 . 1 1 68 68 VAL N N 68 123.776 123.776 124.006 -0.230 18484 4325 1 10 . 1 1 68 68 VAL HA H 68 4.124 4.124 4.008 0.116 18484 4326 1 10 . 1 1 68 68 VAL CA C 68 60.443 60.443 59.848 0.595 18484 4327 1 10 . 1 1 68 68 VAL CB C 68 34.972 34.972 35.923 -0.951 18484 4328 1 10 . 1 1 68 68 VAL H H 68 8.966 8.966 8.071 0.895 18484 4329 1 10 . 1 1 69 69 LYS N N 69 125.803 125.803 124.857 0.946 18484 4330 1 10 . 1 1 69 69 LYS HA H 69 4.448 4.448 4.351 0.097 18484 4331 1 10 . 1 1 69 69 LYS CA C 69 57.012 57.012 57.709 -0.697 18484 4332 1 10 . 1 1 69 69 LYS CB C 69 33.410 33.410 32.627 0.783 18484 4333 1 10 . 1 1 69 69 LYS H H 69 8.799 8.799 8.701 0.098 18484 4334 1 10 . 1 1 70 70 GLY N N 70 108.188 108.188 112.784 -4.596 18484 4335 1 10 . 1 1 70 70 GLY CA C 70 43.549 43.549 44.215 -0.666 18484 4336 1 10 . 1 1 70 70 GLY H H 70 8.858 8.858 8.236 0.622 18484 4337 1 10 . 1 1 71 71 GLU N N 71 123.030 123.030 117.494 5.536 18484 4338 1 10 . 1 1 71 71 GLU HA H 71 5.059 5.059 4.627 0.432 18484 4339 1 10 . 1 1 71 71 GLU CA C 71 56.146 56.146 56.413 -0.267 18484 4340 1 10 . 1 1 71 71 GLU CB C 71 36.142 36.142 34.125 2.017 18484 4341 1 10 . 1 1 71 71 GLU H H 71 9.538 9.538 8.409 1.129 18484 4342 1 10 . 1 1 72 72 ARG N N 72 126.426 126.426 122.622 3.804 18484 4343 1 10 . 1 1 72 72 ARG HA H 72 5.059 5.059 4.902 0.157 18484 4344 1 10 . 1 1 72 72 ARG CA C 72 54.001 54.001 55.410 -1.409 18484 4345 1 10 . 1 1 72 72 ARG CB C 72 33.500 33.500 33.242 0.258 18484 4346 1 10 . 1 1 72 72 ARG H H 72 9.191 9.191 8.365 0.826 18484 4347 1 10 . 1 1 73 73 THR N N 73 120.983 120.983 125.305 -4.322 18484 4348 1 10 . 1 1 73 73 THR HA H 73 4.522 4.522 4.435 0.087 18484 4349 1 10 . 1 1 73 73 THR CA C 73 60.953 60.953 64.249 -3.296 18484 4350 1 10 . 1 1 73 73 THR CB C 73 68.412 68.412 69.464 -1.052 18484 4351 1 10 . 1 1 73 73 THR H H 73 9.249 9.249 8.340 0.909 18484 4352 1 10 . 1 1 74 74 HIS N N 74 125.685 125.685 126.494 -0.809 18484 4353 1 10 . 1 1 74 74 HIS HA H 74 5.153 5.153 4.495 0.658 18484 4354 1 10 . 1 1 74 74 HIS CA C 74 54.487 54.487 55.209 -0.722 18484 4355 1 10 . 1 1 74 74 HIS CB C 74 32.997 32.997 31.084 1.913 18484 4356 1 10 . 1 1 74 74 HIS H H 74 9.056 9.056 8.685 0.371 18484 4357 1 10 . 1 1 75 75 TYR N N 75 123.688 123.688 125.305 -1.617 18484 4358 1 10 . 1 1 75 75 TYR HA H 75 4.868 4.868 4.939 -0.071 18484 4359 1 10 . 1 1 75 75 TYR CA C 75 56.499 56.499 54.757 1.742 18484 4360 1 10 . 1 1 75 75 TYR CB C 75 38.425 38.425 36.583 1.842 18484 4361 1 10 . 1 1 75 75 TYR H H 75 8.945 8.945 7.464 1.481 18484 4362 1 10 . 1 1 76 76 ILE N N 76 125.717 125.717 124.543 1.174 18484 4363 1 10 . 1 1 76 76 ILE HA H 76 4.800 4.800 4.287 0.513 18484 4364 1 10 . 1 1 76 76 ILE CA C 76 58.787 58.787 60.599 -1.812 18484 4365 1 10 . 1 1 76 76 ILE CB C 76 42.034 42.034 39.579 2.455 18484 4366 1 10 . 1 1 76 76 ILE H H 76 9.079 9.079 8.134 0.945 18484 4367 1 10 . 1 1 77 77 SER N N 77 120.473 120.473 118.346 2.127 18484 4368 1 10 . 1 1 77 77 SER HA H 77 5.183 5.183 4.805 0.378 18484 4369 1 10 . 1 1 77 77 SER CA C 77 55.930 55.930 57.323 -1.393 18484 4370 1 10 . 1 1 77 77 SER CB C 77 63.118 63.118 64.393 -1.275 18484 4371 1 10 . 1 1 77 77 SER H H 77 9.047 9.047 8.080 0.967 18484 4372 1 10 . 1 1 78 78 VAL N N 78 128.488 128.488 126.429 2.059 18484 4373 1 10 . 1 1 78 78 VAL HA H 78 4.729 4.729 4.066 0.663 18484 4374 1 10 . 1 1 78 78 VAL CA C 78 60.517 60.517 62.179 -1.662 18484 4375 1 10 . 1 1 78 78 VAL CB C 78 33.685 33.685 30.532 3.154 18484 4376 1 10 . 1 1 78 78 VAL H H 78 9.301 9.301 8.532 0.769 18484 4377 1 10 . 1 1 79 79 LEU N N 79 129.698 129.698 131.977 -2.279 18484 4378 1 10 . 1 1 79 79 LEU HA H 79 4.783 4.783 4.660 0.123 18484 4379 1 10 . 1 1 79 79 LEU CA C 79 53.873 53.873 53.796 0.077 18484 4380 1 10 . 1 1 79 79 LEU CB C 79 45.605 45.605 42.952 2.653 18484 4381 1 10 . 1 1 79 79 LEU H H 79 8.553 8.553 7.983 0.570 18484 4382 1 10 . 1 1 80 80 THR N N 80 123.276 123.276 120.014 3.262 18484 4383 1 10 . 1 1 80 80 THR HA H 80 5.096 5.096 4.451 0.645 18484 4384 1 10 . 1 1 80 80 THR CA C 80 60.231 60.231 63.220 -2.989 18484 4385 1 10 . 1 1 80 80 THR CB C 80 68.171 68.171 69.881 -1.710 18484 4386 1 10 . 1 1 80 80 THR H H 80 8.754 8.754 8.518 0.236 18484 4387 1 10 . 1 1 81 81 GLU N N 81 125.405 125.405 123.934 1.471 18484 4388 1 10 . 1 1 81 81 GLU HA H 81 4.530 4.530 4.416 0.114 18484 4389 1 10 . 1 1 81 81 GLU CA C 81 55.372 55.372 56.508 -1.137 18484 4390 1 10 . 1 1 81 81 GLU CB C 81 32.374 32.374 31.947 0.427 18484 4391 1 10 . 1 1 81 81 GLU H H 81 8.615 8.615 8.151 0.464 18484 4392 1 10 . 1 1 82 82 ASN N N 82 124.375 124.375 121.443 2.932 18484 4393 1 10 . 1 1 82 82 ASN HA H 82 4.360 4.360 4.467 -0.107 18484 4394 1 10 . 1 1 82 82 ASN CA C 82 54.328 54.328 53.550 0.778 18484 4395 1 10 . 1 1 82 82 ASN CB C 82 37.432 37.432 37.719 -0.287 18484 4396 1 10 . 1 1 82 82 ASN H H 82 9.559 9.559 9.021 0.538 18484 4397 1 10 . 1 1 83 83 GLY N N 83 103.733 103.733 104.206 -0.473 18484 4398 1 10 . 1 1 83 83 GLY CA C 83 45.359 45.359 44.819 0.540 18484 4399 1 10 . 1 1 83 83 GLY H H 83 8.626 8.626 8.195 0.431 18484 4400 1 10 . 1 1 84 84 LYS N N 84 121.407 121.407 119.427 1.980 18484 4401 1 10 . 1 1 84 84 LYS HA H 84 4.698 4.698 4.440 0.258 18484 4402 1 10 . 1 1 84 84 LYS CA C 84 55.182 55.182 55.542 -0.360 18484 4403 1 10 . 1 1 84 84 LYS CB C 84 34.807 34.807 34.443 0.364 18484 4404 1 10 . 1 1 84 84 LYS H H 84 7.813 7.813 7.884 -0.071 18484 4405 1 10 . 1 1 85 85 THR N N 85 121.799 121.799 122.023 -0.224 18484 4406 1 10 . 1 1 85 85 THR HA H 85 5.194 5.194 4.404 0.790 18484 4407 1 10 . 1 1 85 85 THR CA C 85 60.472 60.472 62.691 -2.219 18484 4408 1 10 . 1 1 85 85 THR CB C 85 69.134 69.134 69.172 -0.038 18484 4409 1 10 . 1 1 85 85 THR H H 85 8.796 8.796 8.499 0.297 18484 4410 1 10 . 1 1 86 86 THR N N 86 122.071 122.071 122.498 -0.427 18484 4411 1 10 . 1 1 86 86 THR HA H 86 4.535 4.535 4.613 -0.078 18484 4412 1 10 . 1 1 86 86 THR CA C 86 59.990 59.990 61.603 -1.613 18484 4413 1 10 . 1 1 86 86 THR CB C 86 69.856 69.856 70.866 -1.010 18484 4414 1 10 . 1 1 86 86 THR H H 86 9.134 9.134 8.173 0.961 18484 4415 1 10 . 1 1 87 87 GLU N N 87 126.429 126.429 124.289 2.140 18484 4416 1 10 . 1 1 87 87 GLU HA H 87 5.030 5.030 4.784 0.246 18484 4417 1 10 . 1 1 87 87 GLU CA C 87 55.029 55.029 55.002 0.027 18484 4418 1 10 . 1 1 87 87 GLU CB C 87 31.746 31.746 30.273 1.473 18484 4419 1 10 . 1 1 87 87 GLU H H 87 8.905 8.905 8.591 0.314 18484 4420 1 10 . 1 1 88 88 THR N N 88 120.353 120.353 121.143 -0.790 18484 4421 1 10 . 1 1 88 88 THR HA H 88 4.450 4.450 4.633 -0.182 18484 4422 1 10 . 1 1 88 88 THR CA C 88 60.472 60.472 61.741 -1.269 18484 4423 1 10 . 1 1 88 88 THR CB C 88 70.646 70.646 71.310 -0.664 18484 4424 1 10 . 1 1 88 88 THR H H 88 9.016 9.016 8.482 0.534 18484 4425 1 10 . 1 1 89 89 VAL N N 89 128.484 128.484 126.977 1.507 18484 4426 1 10 . 1 1 89 89 VAL HA H 89 3.978 3.978 3.844 0.134 18484 4427 1 10 . 1 1 89 89 VAL CA C 89 62.471 62.471 64.561 -2.090 18484 4428 1 10 . 1 1 89 89 VAL CB C 89 31.216 31.216 32.673 -1.457 18484 4429 1 10 . 1 1 89 89 VAL H H 89 9.054 9.054 8.734 0.320 18484 4430 1 10 . 1 1 90 90 LEU N N 90 130.587 130.587 127.779 2.808 18484 4431 1 10 . 1 1 90 90 LEU HA H 90 4.325 4.325 4.721 -0.396 18484 4432 1 10 . 1 1 90 90 LEU CA C 90 56.129 56.129 55.592 0.537 18484 4433 1 10 . 1 1 90 90 LEU CB C 90 42.958 42.958 44.620 -1.661 18484 4434 1 10 . 1 1 90 90 LEU H H 90 9.426 9.426 8.695 0.731 18484 4435 1 10 . 1 1 91 91 ASP N N 91 114.928 114.928 118.478 -3.550 18484 4436 1 10 . 1 1 91 91 ASP HA H 91 4.846 4.846 4.757 0.089 18484 4437 1 10 . 1 1 91 91 ASP CA C 91 53.688 53.688 54.185 -0.497 18484 4438 1 10 . 1 1 91 91 ASP CB C 91 43.521 43.521 44.130 -0.609 18484 4439 1 10 . 1 1 91 91 ASP H H 91 7.924 7.924 7.755 0.169 18484 4440 1 10 . 1 1 92 92 SER N N 92 117.203 117.203 117.995 -0.792 18484 4441 1 10 . 1 1 92 92 SER HA H 92 5.519 5.519 2.894 2.625 18484 4442 1 10 . 1 1 92 92 SER CA C 92 56.622 56.622 56.437 0.185 18484 4443 1 10 . 1 1 92 92 SER CB C 92 63.359 63.359 65.292 -1.933 18484 4444 1 10 . 1 1 92 92 SER H H 92 8.376 8.376 8.046 0.330 18484 4445 1 10 . 1 1 93 93 GLN N N 93 122.058 122.058 120.369 1.689 18484 4446 1 10 . 1 1 93 93 GLN HA H 93 4.731 4.731 4.513 0.218 18484 4447 1 10 . 1 1 93 93 GLN CA C 93 54.781 54.781 54.122 0.659 18484 4448 1 10 . 1 1 93 93 GLN CB C 93 33.312 33.312 31.546 1.766 18484 4449 1 10 . 1 1 93 93 GLN H H 93 9.005 9.005 7.854 1.151 18484 4450 1 10 . 1 1 94 94 VAL N N 94 125.231 125.231 121.212 4.019 18484 4451 1 10 . 1 1 94 94 VAL HA H 94 4.233 4.233 4.171 0.062 18484 4452 1 10 . 1 1 94 94 VAL CA C 94 63.282 63.282 62.020 1.262 18484 4453 1 10 . 1 1 94 94 VAL CB C 94 30.906 30.906 31.893 -0.987 18484 4454 1 10 . 1 1 94 94 VAL H H 94 9.085 9.085 8.520 0.565 18484 4455 1 10 . 1 1 95 95 THR N N 95 121.170 121.170 121.862 -0.692 18484 4456 1 10 . 1 1 95 95 THR HA H 95 4.384 4.384 4.631 -0.247 18484 4457 1 10 . 1 1 95 95 THR CA C 95 60.953 60.953 61.211 -0.258 18484 4458 1 10 . 1 1 95 95 THR CB C 95 68.653 68.653 68.383 0.270 18484 4459 1 10 . 1 1 95 95 THR H H 95 8.521 8.521 8.311 0.210 18484 4460 1 10 . 1 1 96 96 LYS N N 96 123.236 123.236 122.071 1.165 18484 4461 1 10 . 1 1 96 96 LYS HA H 96 4.418 4.418 4.159 0.259 18484 4462 1 10 . 1 1 96 96 LYS CA C 96 56.418 56.418 57.330 -0.912 18484 4463 1 10 . 1 1 96 96 LYS CB C 96 35.690 35.690 33.174 2.516 18484 4464 1 10 . 1 1 96 96 LYS H H 96 7.912 7.912 8.241 -0.329 18484 4465 1 10 . 1 1 97 97 GLU N N 97 125.835 125.835 120.888 4.947 18484 4466 1 10 . 1 1 97 97 GLU HA H 97 4.151 4.151 3.998 0.153 18484 4467 1 10 . 1 1 97 97 GLU CA C 97 56.412 56.412 56.965 -0.553 18484 4468 1 10 . 1 1 97 97 GLU CB C 97 29.948 29.948 29.992 -0.044 18484 4469 1 10 . 1 1 97 97 GLU H H 97 8.665 8.665 7.895 0.770 18484 4470 1 10 . 1 1 98 98 VAL N N 98 122.204 122.204 124.131 -1.927 18484 4471 1 10 . 1 1 98 98 VAL HA H 98 3.915 3.915 4.292 -0.377 18484 4472 1 10 . 1 1 98 98 VAL CA C 98 60.208 60.208 62.425 -2.217 18484 4473 1 10 . 1 1 98 98 VAL CB C 98 33.692 33.692 32.432 1.260 18484 4474 1 10 . 1 1 98 98 VAL H H 98 8.339 8.339 8.272 0.067 18484 4475 1 10 . 1 1 99 99 ILE N N 99 127.874 127.874 129.568 -1.694 18484 4476 1 10 . 1 1 99 99 ILE HA H 99 4.197 4.197 3.934 0.263 18484 4477 1 10 . 1 1 99 99 ILE CA C 99 60.606 60.606 61.935 -1.329 18484 4478 1 10 . 1 1 99 99 ILE CB C 99 39.186 39.186 38.220 0.966 18484 4479 1 10 . 1 1 99 99 ILE H H 99 8.608 8.608 7.763 0.845 18484 4480 1 10 . 1 1 100 100 ASN N N 100 123.343 123.343 125.928 -2.585 18484 4481 1 10 . 1 1 100 100 ASN HA H 100 4.914 4.914 4.859 0.055 18484 4482 1 10 . 1 1 100 100 ASN CA C 100 53.704 53.704 52.295 1.409 18484 4483 1 10 . 1 1 100 100 ASN CB C 100 37.731 37.731 39.563 -1.833 18484 4484 1 10 . 1 1 100 100 ASN H H 100 8.446 8.446 8.432 0.014 18484 4485 1 10 . 1 1 101 101 GLN N N 101 120.980 120.980 122.282 -1.302 18484 4486 1 10 . 1 1 101 101 GLN HA H 101 4.325 4.325 4.485 -0.160 18484 4487 1 10 . 1 1 101 101 GLN CA C 101 54.659 54.659 56.497 -1.838 18484 4488 1 10 . 1 1 101 101 GLN CB C 101 31.616 31.616 29.235 2.381 18484 4489 1 10 . 1 1 101 101 GLN H H 101 8.254 8.254 8.681 -0.427 18484 4490 1 10 . 1 1 102 102 VAL N N 102 127.057 127.057 128.504 -1.447 18484 4491 1 10 . 1 1 102 102 VAL HA H 102 4.965 4.965 4.263 0.702 18484 4492 1 10 . 1 1 102 102 VAL CA C 102 60.264 60.264 61.609 -1.345 18484 4493 1 10 . 1 1 102 102 VAL CB C 102 33.626 33.626 31.925 1.701 18484 4494 1 10 . 1 1 102 102 VAL H H 102 8.742 8.742 8.242 0.500 18484 4495 1 10 . 1 1 103 103 VAL N N 103 127.794 127.794 126.090 1.704 18484 4496 1 10 . 1 1 103 103 VAL HA H 103 4.812 4.812 4.823 -0.011 18484 4497 1 10 . 1 1 103 103 VAL CA C 103 58.547 58.547 59.847 -1.300 18484 4498 1 10 . 1 1 103 103 VAL CB C 103 35.718 35.718 35.646 0.072 18484 4499 1 10 . 1 1 103 103 VAL H H 103 9.160 9.160 8.478 0.682 18484 4500 1 10 . 1 1 104 104 GLU N N 104 125.160 125.160 123.633 1.527 18484 4501 1 10 . 1 1 104 104 GLU HA H 104 5.513 5.513 4.735 0.778 18484 4502 1 10 . 1 1 104 104 GLU CA C 104 53.721 53.721 55.024 -1.303 18484 4503 1 10 . 1 1 104 104 GLU CB C 104 32.383 32.383 31.775 0.608 18484 4504 1 10 . 1 1 104 104 GLU H H 104 9.085 9.085 8.332 0.753 18484 4505 1 10 . 1 1 105 105 VAL N N 105 117.602 117.602 124.631 -7.029 18484 4506 1 10 . 1 1 105 105 VAL HA H 105 5.241 5.241 4.866 0.375 18484 4507 1 10 . 1 1 105 105 VAL CA C 105 57.055 57.055 61.033 -3.978 18484 4508 1 10 . 1 1 105 105 VAL CB C 105 35.204 35.204 33.436 1.768 18484 4509 1 10 . 1 1 105 105 VAL H H 105 8.536 8.536 8.707 -0.171 18484 4510 1 10 . 1 1 106 106 GLY N N 106 111.023 111.023 113.262 -2.239 18484 4511 1 10 . 1 1 106 106 GLY CA C 106 46.117 46.117 44.732 1.385 18484 4512 1 10 . 1 1 106 106 GLY H H 106 8.635 8.635 8.303 0.332 18484 4513 1 10 . 1 1 107 107 ALA N N 107 127.369 127.369 126.392 0.977 18484 4514 1 10 . 1 1 107 107 ALA HA H 107 4.515 4.515 4.283 0.232 18484 4515 1 10 . 1 1 107 107 ALA CA C 107 50.477 50.477 50.987 -0.510 18484 4516 1 10 . 1 1 107 107 ALA CB C 107 19.924 19.924 17.946 1.978 18484 4517 1 10 . 1 1 107 107 ALA H H 107 7.929 7.929 7.967 -0.038 18484 4518 1 10 . 1 1 108 108 PRO HA H 108 4.494 4.494 4.451 0.043 18484 4519 1 10 . 1 1 108 108 PRO CA C 108 61.698 61.698 62.988 -1.290 18484 4520 1 10 . 1 1 108 108 PRO CB C 108 31.900 31.900 32.572 -0.672 18484 4521 1 10 . 1 1 109 109 VAL N N 109 119.821 119.821 118.543 1.278 18484 4522 1 10 . 1 1 109 109 VAL HA H 109 4.092 4.092 4.181 -0.089 18484 4523 1 10 . 1 1 109 109 VAL CA C 109 60.949 60.949 64.155 -3.206 18484 4524 1 10 . 1 1 109 109 VAL CB C 109 32.389 32.389 31.645 0.744 18484 4525 1 10 . 1 1 109 109 VAL H H 109 8.303 8.303 8.546 -0.243 18484 4526 1 10 . 1 1 110 110 THR N N 110 118.171 118.171 113.994 4.177 18484 4527 1 10 . 1 1 110 110 THR HA H 110 4.338 4.338 4.499 -0.161 18484 4528 1 10 . 1 1 110 110 THR CA C 110 59.028 59.028 62.040 -3.012 18484 4529 1 10 . 1 1 110 110 THR CB C 110 67.676 67.676 68.959 -1.283 18484 4530 1 10 . 1 1 110 110 THR H H 110 8.209 8.209 7.968 0.241 18484 4531 1 11 . 1 1 2 2 GLY N N 2 110.403 110.403 109.662 0.741 18484 4532 1 11 . 1 1 2 2 GLY H H 2 8.459 8.459 8.367 0.092 18484 4533 1 11 . 1 1 10 10 SER HA H 10 4.435 4.435 4.649 -0.214 18484 4534 1 11 . 1 1 11 11 SER CA C 11 57.649 57.649 58.497 -0.848 18484 4535 1 11 . 1 1 11 11 SER CB C 11 62.672 62.672 64.246 -1.574 18484 4536 1 11 . 1 1 12 12 GLY N N 12 110.471 110.471 110.063 0.408 18484 4537 1 11 . 1 1 12 12 GLY CA C 12 45.312 45.312 44.714 0.598 18484 4538 1 11 . 1 1 12 12 GLY H H 12 8.365 8.365 8.096 0.269 18484 4539 1 11 . 1 1 13 13 LEU N N 13 121.432 121.432 121.583 -0.151 18484 4540 1 11 . 1 1 13 13 LEU HA H 13 4.327 4.327 4.474 -0.147 18484 4541 1 11 . 1 1 13 13 LEU CA C 13 55.573 55.573 56.101 -0.528 18484 4542 1 11 . 1 1 13 13 LEU CB C 13 42.428 42.428 42.349 0.079 18484 4543 1 11 . 1 1 13 13 LEU H H 13 8.024 8.024 8.462 -0.438 18484 4544 1 11 . 1 1 14 14 VAL N N 14 122.309 122.309 112.039 10.270 18484 4545 1 11 . 1 1 14 14 VAL H H 14 8.062 8.062 7.389 0.673 18484 4546 1 11 . 1 1 16 16 ARG N N 16 121.951 121.951 118.350 3.601 18484 4547 1 11 . 1 1 16 16 ARG HA H 16 4.312 4.312 4.605 -0.293 18484 4548 1 11 . 1 1 16 16 ARG CA C 16 56.102 56.102 55.329 0.773 18484 4549 1 11 . 1 1 16 16 ARG CB C 16 30.891 30.891 32.731 -1.840 18484 4550 1 11 . 1 1 16 16 ARG H H 16 8.465 8.465 7.952 0.513 18484 4551 1 11 . 1 1 20 20 MET HA H 20 4.435 4.435 4.668 -0.233 18484 4552 1 11 . 1 1 20 20 MET CA C 20 55.500 55.500 55.957 -0.457 18484 4553 1 11 . 1 1 20 20 MET CB C 20 32.070 32.070 33.129 -1.059 18484 4554 1 11 . 1 1 21 21 SER N N 21 117.005 117.005 116.163 0.842 18484 4555 1 11 . 1 1 21 21 SER HA H 21 4.435 4.435 4.472 -0.037 18484 4556 1 11 . 1 1 21 21 SER CA C 21 57.066 57.066 58.857 -1.791 18484 4557 1 11 . 1 1 21 21 SER CB C 21 62.566 62.566 64.209 -1.643 18484 4558 1 11 . 1 1 21 21 SER H H 21 8.332 8.332 8.564 -0.232 18484 4559 1 11 . 1 1 22 22 LEU N N 22 124.083 124.083 123.646 0.437 18484 4560 1 11 . 1 1 22 22 LEU HA H 22 4.348 4.348 4.482 -0.135 18484 4561 1 11 . 1 1 22 22 LEU CA C 22 55.471 55.471 55.064 0.407 18484 4562 1 11 . 1 1 22 22 LEU CB C 22 42.322 42.322 43.462 -1.140 18484 4563 1 11 . 1 1 22 22 LEU H H 22 8.340 8.340 8.253 0.087 18484 4564 1 11 . 1 1 23 23 ASP N N 23 120.867 120.867 123.422 -2.555 18484 4565 1 11 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.522 0.044 18484 4566 1 11 . 1 1 23 23 ASP CA C 23 54.687 54.687 54.692 -0.005 18484 4567 1 11 . 1 1 23 23 ASP CB C 23 41.553 41.553 42.253 -0.700 18484 4568 1 11 . 1 1 23 23 ASP H H 23 8.312 8.312 8.549 -0.237 18484 4569 1 11 . 1 1 24 24 GLU N N 24 121.470 121.470 119.656 1.814 18484 4570 1 11 . 1 1 24 24 GLU HA H 24 4.566 4.566 3.948 0.618 18484 4571 1 11 . 1 1 24 24 GLU CA C 24 56.921 56.921 58.957 -2.036 18484 4572 1 11 . 1 1 24 24 GLU CB C 24 30.015 30.015 28.391 1.624 18484 4573 1 11 . 1 1 24 24 GLU H H 24 8.411 8.411 8.727 -0.316 18484 4574 1 11 . 1 1 25 25 ASN N N 25 118.582 118.582 117.310 1.272 18484 4575 1 11 . 1 1 25 25 ASN HA H 25 4.707 4.707 4.743 -0.036 18484 4576 1 11 . 1 1 25 25 ASN CA C 25 53.593 53.593 53.277 0.316 18484 4577 1 11 . 1 1 25 25 ASN CB C 25 39.188 39.188 39.633 -0.445 18484 4578 1 11 . 1 1 25 25 ASN H H 25 8.436 8.436 8.283 0.153 18484 4579 1 11 . 1 1 26 26 GLU N N 26 121.262 121.262 119.183 2.079 18484 4580 1 11 . 1 1 26 26 GLU HA H 26 4.247 4.247 4.010 0.237 18484 4581 1 11 . 1 1 26 26 GLU CA C 26 56.310 56.310 57.453 -1.143 18484 4582 1 11 . 1 1 26 26 GLU CB C 26 30.342 30.342 28.192 2.150 18484 4583 1 11 . 1 1 26 26 GLU H H 26 8.196 8.196 8.652 -0.456 18484 4584 1 11 . 1 1 27 27 VAL N N 27 121.381 121.381 112.031 9.350 18484 4585 1 11 . 1 1 27 27 VAL HA H 27 4.036 4.036 4.390 -0.354 18484 4586 1 11 . 1 1 27 27 VAL CA C 27 62.396 62.396 59.728 2.668 18484 4587 1 11 . 1 1 27 27 VAL CB C 27 32.770 32.770 33.624 -0.855 18484 4588 1 11 . 1 1 27 27 VAL H H 27 8.092 8.092 7.362 0.730 18484 4589 1 11 . 1 1 28 28 ALA N N 28 127.549 127.549 122.792 4.757 18484 4590 1 11 . 1 1 28 28 ALA HA H 28 4.300 4.300 4.325 -0.025 18484 4591 1 11 . 1 1 28 28 ALA CA C 28 52.388 52.388 52.397 -0.009 18484 4592 1 11 . 1 1 28 28 ALA CB C 28 20.383 20.383 17.471 2.912 18484 4593 1 11 . 1 1 28 28 ALA H H 28 8.280 8.280 8.314 -0.034 18484 4594 1 11 . 1 1 29 29 ALA N N 29 122.963 122.963 126.783 -3.820 18484 4595 1 11 . 1 1 29 29 ALA HA H 29 4.257 4.257 4.004 0.253 18484 4596 1 11 . 1 1 29 29 ALA CA C 29 52.737 52.737 53.553 -0.816 18484 4597 1 11 . 1 1 29 29 ALA CB C 29 20.585 20.585 19.270 1.315 18484 4598 1 11 . 1 1 29 29 ALA H H 29 8.182 8.182 8.364 -0.182 18484 4599 1 11 . 1 1 30 30 ASN N N 30 117.863 117.863 113.150 4.713 18484 4600 1 11 . 1 1 30 30 ASN HA H 30 4.697 4.697 4.492 0.205 18484 4601 1 11 . 1 1 30 30 ASN CA C 30 53.107 53.107 53.916 -0.809 18484 4602 1 11 . 1 1 30 30 ASN CB C 30 38.876 38.876 38.433 0.443 18484 4603 1 11 . 1 1 30 30 ASN H H 30 8.323 8.323 8.299 0.024 18484 4604 1 11 . 1 1 31 31 VAL N N 31 120.074 120.074 118.523 1.551 18484 4605 1 11 . 1 1 31 31 VAL HA H 31 4.131 4.131 4.292 -0.161 18484 4606 1 11 . 1 1 31 31 VAL CA C 31 60.983 60.983 63.014 -2.031 18484 4607 1 11 . 1 1 31 31 VAL CB C 31 32.827 32.827 30.846 1.981 18484 4608 1 11 . 1 1 31 31 VAL H H 31 8.041 8.041 8.357 -0.316 18484 4609 1 11 . 1 1 32 32 GLU N N 32 124.378 124.378 120.591 3.787 18484 4610 1 11 . 1 1 32 32 GLU HA H 32 4.339 4.339 4.539 -0.200 18484 4611 1 11 . 1 1 32 32 GLU CA C 32 56.728 56.728 56.224 0.504 18484 4612 1 11 . 1 1 32 32 GLU CB C 32 30.439 30.439 29.996 0.443 18484 4613 1 11 . 1 1 32 32 GLU H H 32 8.487 8.487 8.314 0.173 18484 4614 1 11 . 1 1 33 33 THR N N 33 116.772 116.772 115.641 1.131 18484 4615 1 11 . 1 1 33 33 THR HA H 33 4.312 4.312 4.488 -0.176 18484 4616 1 11 . 1 1 33 33 THR CA C 33 60.472 60.472 61.631 -1.159 18484 4617 1 11 . 1 1 33 33 THR CB C 33 68.412 68.412 68.481 -0.068 18484 4618 1 11 . 1 1 33 33 THR H H 33 8.224 8.224 8.068 0.156 18484 4619 1 11 . 1 1 34 34 ARG N N 34 124.955 124.955 120.652 4.303 18484 4620 1 11 . 1 1 34 34 ARG HA H 34 4.732 4.732 4.036 0.696 18484 4621 1 11 . 1 1 34 34 ARG CA C 34 53.635 53.635 56.400 -2.765 18484 4622 1 11 . 1 1 34 34 ARG CB C 34 30.581 30.581 29.518 1.063 18484 4623 1 11 . 1 1 34 34 ARG H H 34 8.438 8.438 7.626 0.812 18484 4624 1 11 . 1 1 35 35 PRO HA H 35 4.667 4.667 4.298 0.369 18484 4625 1 11 . 1 1 35 35 PRO CA C 35 61.995 61.995 64.272 -2.277 18484 4626 1 11 . 1 1 35 35 PRO CB C 35 32.459 32.459 32.158 0.301 18484 4627 1 11 . 1 1 36 36 GLU N N 36 121.398 121.398 116.299 5.099 18484 4628 1 11 . 1 1 36 36 GLU HA H 36 4.509 4.509 4.538 -0.029 18484 4629 1 11 . 1 1 36 36 GLU CA C 36 55.563 55.563 56.162 -0.599 18484 4630 1 11 . 1 1 36 36 GLU CB C 36 31.628 31.628 32.435 -0.807 18484 4631 1 11 . 1 1 36 36 GLU H H 36 8.663 8.663 8.427 0.236 18484 4632 1 11 . 1 1 37 37 LEU N N 37 125.233 125.233 122.501 2.732 18484 4633 1 11 . 1 1 37 37 LEU HA H 37 5.240 5.240 4.664 0.576 18484 4634 1 11 . 1 1 37 37 LEU CA C 37 54.120 54.120 54.699 -0.579 18484 4635 1 11 . 1 1 37 37 LEU CB C 37 42.407 42.407 42.493 -0.086 18484 4636 1 11 . 1 1 37 37 LEU H H 37 8.352 8.352 8.537 -0.185 18484 4637 1 11 . 1 1 38 38 ILE N N 38 121.904 121.904 121.836 0.068 18484 4638 1 11 . 1 1 38 38 ILE HA H 38 4.775 4.775 4.671 0.104 18484 4639 1 11 . 1 1 38 38 ILE CA C 38 58.065 58.065 59.614 -1.548 18484 4640 1 11 . 1 1 38 38 ILE CB C 38 41.790 41.790 39.989 1.802 18484 4641 1 11 . 1 1 38 38 ILE H H 38 9.224 9.224 8.535 0.689 18484 4642 1 11 . 1 1 39 39 THR N N 39 111.692 111.692 110.569 1.123 18484 4643 1 11 . 1 1 39 39 THR HA H 39 5.443 5.443 5.205 0.238 18484 4644 1 11 . 1 1 39 39 THR CA C 39 57.825 57.825 60.793 -2.968 18484 4645 1 11 . 1 1 39 39 THR CB C 39 70.337 70.337 71.336 -0.999 18484 4646 1 11 . 1 1 39 39 THR H H 39 8.077 8.077 8.251 -0.174 18484 4647 1 11 . 1 1 40 40 ARG N N 40 121.666 121.666 122.598 -0.932 18484 4648 1 11 . 1 1 40 40 ARG HA H 40 4.707 4.707 4.615 0.092 18484 4649 1 11 . 1 1 40 40 ARG CA C 40 55.674 55.674 55.889 -0.215 18484 4650 1 11 . 1 1 40 40 ARG CB C 40 34.932 34.932 33.245 1.687 18484 4651 1 11 . 1 1 40 40 ARG H H 40 8.558 8.558 9.031 -0.473 18484 4652 1 11 . 1 1 41 41 THR N N 41 115.335 115.335 117.980 -2.645 18484 4653 1 11 . 1 1 41 41 THR HA H 41 5.345 5.345 5.090 0.255 18484 4654 1 11 . 1 1 41 41 THR CA C 41 59.028 59.028 61.631 -2.603 18484 4655 1 11 . 1 1 41 41 THR CB C 41 70.332 70.332 69.747 0.585 18484 4656 1 11 . 1 1 41 41 THR H H 41 8.532 8.532 8.504 0.028 18484 4657 1 11 . 1 1 42 42 GLU N N 42 122.278 122.278 125.377 -3.099 18484 4658 1 11 . 1 1 42 42 GLU HA H 42 4.705 4.705 4.468 0.237 18484 4659 1 11 . 1 1 42 42 GLU CA C 42 54.318 54.318 54.421 -0.103 18484 4660 1 11 . 1 1 42 42 GLU CB C 42 33.984 33.984 31.204 2.780 18484 4661 1 11 . 1 1 42 42 GLU H H 42 9.049 9.049 8.878 0.171 18484 4662 1 11 . 1 1 43 43 GLU N N 43 122.782 122.782 122.030 0.752 18484 4663 1 11 . 1 1 43 43 GLU HA H 43 4.659 4.659 4.189 0.470 18484 4664 1 11 . 1 1 43 43 GLU CA C 43 56.074 56.074 57.497 -1.423 18484 4665 1 11 . 1 1 43 43 GLU CB C 43 31.559 31.559 29.033 2.526 18484 4666 1 11 . 1 1 43 43 GLU H H 43 8.722 8.722 8.592 0.130 18484 4667 1 11 . 1 1 44 44 ILE N N 44 123.255 123.255 126.972 -3.717 18484 4668 1 11 . 1 1 44 44 ILE HA H 44 4.557 4.557 4.450 0.107 18484 4669 1 11 . 1 1 44 44 ILE CA C 44 55.622 55.622 58.131 -2.509 18484 4670 1 11 . 1 1 44 44 ILE CB C 44 40.902 40.902 38.911 1.991 18484 4671 1 11 . 1 1 44 44 ILE H H 44 7.740 7.740 7.782 -0.042 18484 4672 1 11 . 1 1 45 45 PRO HA H 45 4.177 4.177 4.604 -0.427 18484 4673 1 11 . 1 1 45 45 PRO CA C 45 61.978 61.978 62.248 -0.270 18484 4674 1 11 . 1 1 45 45 PRO CB C 45 32.314 32.314 32.278 0.036 18484 4675 1 11 . 1 1 46 46 PHE N N 46 114.670 114.670 119.194 -4.524 18484 4676 1 11 . 1 1 46 46 PHE HA H 46 4.913 4.913 4.720 0.193 18484 4677 1 11 . 1 1 46 46 PHE CA C 46 54.749 54.749 56.266 -1.517 18484 4678 1 11 . 1 1 46 46 PHE CB C 46 42.057 42.057 40.215 1.842 18484 4679 1 11 . 1 1 46 46 PHE H H 46 6.912 6.912 8.198 -1.286 18484 4680 1 11 . 1 1 47 47 GLU N N 47 120.217 120.217 120.436 -0.219 18484 4681 1 11 . 1 1 47 47 GLU HA H 47 4.600 4.600 4.296 0.304 18484 4682 1 11 . 1 1 47 47 GLU CA C 47 54.771 54.771 55.353 -0.582 18484 4683 1 11 . 1 1 47 47 GLU CB C 47 32.338 32.338 31.774 0.564 18484 4684 1 11 . 1 1 47 47 GLU H H 47 8.271 8.271 8.657 -0.386 18484 4685 1 11 . 1 1 48 48 VAL N N 48 121.331 121.331 124.318 -2.987 18484 4686 1 11 . 1 1 48 48 VAL HA H 48 4.734 4.734 4.335 0.399 18484 4687 1 11 . 1 1 48 48 VAL CA C 48 61.472 61.472 62.174 -0.702 18484 4688 1 11 . 1 1 48 48 VAL CB C 48 32.699 32.699 32.859 -0.160 18484 4689 1 11 . 1 1 48 48 VAL H H 48 8.625 8.625 8.482 0.143 18484 4690 1 11 . 1 1 49 49 ILE N N 49 132.310 132.310 128.122 4.188 18484 4691 1 11 . 1 1 49 49 ILE HA H 49 4.205 4.205 4.451 -0.246 18484 4692 1 11 . 1 1 49 49 ILE CA C 49 58.886 58.886 58.857 0.029 18484 4693 1 11 . 1 1 49 49 ILE CB C 49 39.037 39.037 40.837 -1.800 18484 4694 1 11 . 1 1 49 49 ILE H H 49 9.505 9.505 8.088 1.417 18484 4695 1 11 . 1 1 50 50 LYS N N 50 125.764 125.764 123.495 2.269 18484 4696 1 11 . 1 1 50 50 LYS HA H 50 5.284 5.284 4.535 0.749 18484 4697 1 11 . 1 1 50 50 LYS CA C 50 54.802 54.802 55.117 -0.315 18484 4698 1 11 . 1 1 50 50 LYS CB C 50 34.186 34.186 32.639 1.547 18484 4699 1 11 . 1 1 50 50 LYS H H 50 8.507 8.507 8.388 0.119 18484 4700 1 11 . 1 1 51 51 LYS N N 51 124.935 124.935 124.629 0.306 18484 4701 1 11 . 1 1 51 51 LYS HA H 51 4.608 4.608 4.479 0.129 18484 4702 1 11 . 1 1 51 51 LYS CA C 51 54.006 54.006 55.129 -1.123 18484 4703 1 11 . 1 1 51 51 LYS CB C 51 34.756 34.756 34.380 0.376 18484 4704 1 11 . 1 1 51 51 LYS H H 51 9.066 9.066 7.923 1.143 18484 4705 1 11 . 1 1 52 52 GLU N N 52 124.186 124.186 121.716 2.470 18484 4706 1 11 . 1 1 52 52 GLU HA H 52 4.621 4.621 5.124 -0.503 18484 4707 1 11 . 1 1 52 52 GLU CA C 52 55.931 55.931 55.083 0.848 18484 4708 1 11 . 1 1 52 52 GLU CB C 52 31.036 31.036 30.290 0.746 18484 4709 1 11 . 1 1 52 52 GLU H H 52 8.777 8.777 8.649 0.128 18484 4710 1 11 . 1 1 53 53 ASN N N 53 121.687 121.687 123.485 -1.798 18484 4711 1 11 . 1 1 53 53 ASN HA H 53 5.240 5.240 5.213 0.027 18484 4712 1 11 . 1 1 53 53 ASN CA C 53 49.409 49.409 50.577 -1.167 18484 4713 1 11 . 1 1 53 53 ASN CB C 53 40.473 40.473 39.257 1.216 18484 4714 1 11 . 1 1 53 53 ASN H H 53 8.890 8.890 9.084 -0.194 18484 4715 1 11 . 1 1 54 54 PRO HA H 54 4.587 4.587 4.485 0.102 18484 4716 1 11 . 1 1 54 54 PRO CA C 54 62.650 62.650 64.251 -1.601 18484 4717 1 11 . 1 1 54 54 PRO CB C 54 32.219 32.219 31.999 0.220 18484 4718 1 11 . 1 1 55 55 ASN N N 55 115.629 115.629 116.243 -0.614 18484 4719 1 11 . 1 1 55 55 ASN HA H 55 4.695 4.695 4.516 0.179 18484 4720 1 11 . 1 1 55 55 ASN CA C 55 53.685 53.685 54.471 -0.786 18484 4721 1 11 . 1 1 55 55 ASN CB C 55 39.137 39.137 38.432 0.705 18484 4722 1 11 . 1 1 55 55 ASN H H 55 8.422 8.422 8.484 -0.062 18484 4723 1 11 . 1 1 56 56 LEU N N 56 121.277 121.277 120.753 0.524 18484 4724 1 11 . 1 1 56 56 LEU HA H 56 4.686 4.686 4.516 0.170 18484 4725 1 11 . 1 1 56 56 LEU CA C 56 52.145 52.145 52.894 -0.749 18484 4726 1 11 . 1 1 56 56 LEU CB C 56 42.456 42.456 41.633 0.823 18484 4727 1 11 . 1 1 56 56 LEU H H 56 7.278 7.278 7.430 -0.152 18484 4728 1 11 . 1 1 57 57 PRO HA H 57 4.298 4.298 4.466 -0.168 18484 4729 1 11 . 1 1 57 57 PRO CA C 57 61.332 61.332 62.273 -0.941 18484 4730 1 11 . 1 1 57 57 PRO CB C 57 32.232 32.232 31.164 1.068 18484 4731 1 11 . 1 1 58 58 ALA N N 58 123.896 123.896 119.539 4.357 18484 4732 1 11 . 1 1 58 58 ALA HA H 58 3.892 3.892 4.048 -0.156 18484 4733 1 11 . 1 1 58 58 ALA CA C 58 53.559 53.559 52.630 0.929 18484 4734 1 11 . 1 1 58 58 ALA CB C 58 19.480 19.480 18.788 0.692 18484 4735 1 11 . 1 1 58 58 ALA H H 58 8.263 8.263 7.342 0.921 18484 4736 1 11 . 1 1 59 59 GLY N N 59 110.843 110.843 110.223 0.620 18484 4737 1 11 . 1 1 59 59 GLY CA C 59 45.339 45.339 45.748 -0.409 18484 4738 1 11 . 1 1 59 59 GLY H H 59 8.755 8.755 8.522 0.233 18484 4739 1 11 . 1 1 60 60 GLN N N 60 121.444 121.444 118.499 2.945 18484 4740 1 11 . 1 1 60 60 GLN HA H 60 4.251 4.251 4.410 -0.159 18484 4741 1 11 . 1 1 60 60 GLN CA C 60 56.080 56.080 55.050 1.030 18484 4742 1 11 . 1 1 60 60 GLN CB C 60 29.876 29.876 31.357 -1.481 18484 4743 1 11 . 1 1 60 60 GLN H H 60 7.877 7.877 7.998 -0.121 18484 4744 1 11 . 1 1 61 61 GLU N N 61 123.364 123.364 124.928 -1.564 18484 4745 1 11 . 1 1 61 61 GLU HA H 61 5.241 5.241 4.933 0.308 18484 4746 1 11 . 1 1 61 61 GLU CA C 61 55.012 55.012 55.213 -0.201 18484 4747 1 11 . 1 1 61 61 GLU CB C 61 32.368 32.368 31.959 0.409 18484 4748 1 11 . 1 1 61 61 GLU H H 61 8.419 8.419 8.596 -0.177 18484 4749 1 11 . 1 1 62 62 ASN N N 62 121.499 121.499 125.300 -3.801 18484 4750 1 11 . 1 1 62 62 ASN HA H 62 5.078 5.078 4.950 0.128 18484 4751 1 11 . 1 1 62 62 ASN CA C 62 51.617 51.617 51.820 -0.203 18484 4752 1 11 . 1 1 62 62 ASN CB C 62 40.999 40.999 40.163 0.836 18484 4753 1 11 . 1 1 62 62 ASN H H 62 9.164 9.164 8.193 0.971 18484 4754 1 11 . 1 1 63 63 ILE N N 63 125.976 125.976 125.998 -0.022 18484 4755 1 11 . 1 1 63 63 ILE HA H 63 3.979 3.979 4.137 -0.158 18484 4756 1 11 . 1 1 63 63 ILE CA C 63 61.650 61.650 60.132 1.518 18484 4757 1 11 . 1 1 63 63 ILE CB C 63 37.404 37.404 35.783 1.621 18484 4758 1 11 . 1 1 63 63 ILE H H 63 9.032 9.032 8.765 0.267 18484 4759 1 11 . 1 1 64 64 ILE N N 64 130.073 130.073 129.190 0.883 18484 4760 1 11 . 1 1 64 64 ILE HA H 64 4.139 4.139 4.001 0.138 18484 4761 1 11 . 1 1 64 64 ILE CA C 64 60.699 60.699 63.303 -2.604 18484 4762 1 11 . 1 1 64 64 ILE CB C 64 38.029 38.029 38.524 -0.495 18484 4763 1 11 . 1 1 64 64 ILE H H 64 8.876 8.876 8.561 0.315 18484 4764 1 11 . 1 1 65 65 THR N N 65 116.771 116.771 114.498 2.273 18484 4765 1 11 . 1 1 65 65 THR HA H 65 4.349 4.349 4.456 -0.107 18484 4766 1 11 . 1 1 65 65 THR CA C 65 60.066 60.066 60.905 -0.839 18484 4767 1 11 . 1 1 65 65 THR CB C 65 71.059 71.059 69.209 1.850 18484 4768 1 11 . 1 1 65 65 THR H H 65 7.699 7.699 7.655 0.044 18484 4769 1 11 . 1 1 66 66 ALA N N 66 130.117 130.117 127.794 2.323 18484 4770 1 11 . 1 1 66 66 ALA HA H 66 3.928 3.928 4.288 -0.360 18484 4771 1 11 . 1 1 66 66 ALA CA C 66 51.617 51.617 52.743 -1.126 18484 4772 1 11 . 1 1 66 66 ALA CB C 66 19.653 19.653 19.515 0.138 18484 4773 1 11 . 1 1 66 66 ALA H H 66 8.579 8.579 8.208 0.371 18484 4774 1 11 . 1 1 67 67 GLY N N 67 107.619 107.619 108.967 -1.348 18484 4775 1 11 . 1 1 67 67 GLY CA C 67 43.606 43.606 43.650 -0.044 18484 4776 1 11 . 1 1 67 67 GLY H H 67 8.387 8.387 7.911 0.476 18484 4777 1 11 . 1 1 68 68 VAL N N 68 123.776 123.776 122.216 1.560 18484 4778 1 11 . 1 1 68 68 VAL HA H 68 4.124 4.124 4.243 -0.119 18484 4779 1 11 . 1 1 68 68 VAL CA C 68 60.443 60.443 60.444 -0.001 18484 4780 1 11 . 1 1 68 68 VAL CB C 68 34.972 34.972 36.066 -1.094 18484 4781 1 11 . 1 1 68 68 VAL H H 68 8.966 8.966 8.076 0.890 18484 4782 1 11 . 1 1 69 69 LYS N N 69 125.803 125.803 126.298 -0.495 18484 4783 1 11 . 1 1 69 69 LYS HA H 69 4.448 4.448 4.441 0.007 18484 4784 1 11 . 1 1 69 69 LYS CA C 69 57.012 57.012 56.650 0.362 18484 4785 1 11 . 1 1 69 69 LYS CB C 69 33.410 33.410 31.340 2.070 18484 4786 1 11 . 1 1 69 69 LYS H H 69 8.799 8.799 8.801 -0.002 18484 4787 1 11 . 1 1 70 70 GLY N N 70 108.188 108.188 112.103 -3.915 18484 4788 1 11 . 1 1 70 70 GLY CA C 70 43.549 43.549 44.508 -0.959 18484 4789 1 11 . 1 1 70 70 GLY H H 70 8.858 8.858 8.057 0.801 18484 4790 1 11 . 1 1 71 71 GLU N N 71 123.030 123.030 119.619 3.411 18484 4791 1 11 . 1 1 71 71 GLU HA H 71 5.059 5.059 4.654 0.405 18484 4792 1 11 . 1 1 71 71 GLU CA C 71 56.146 56.146 56.355 -0.209 18484 4793 1 11 . 1 1 71 71 GLU CB C 71 36.142 36.142 31.760 4.382 18484 4794 1 11 . 1 1 71 71 GLU H H 71 9.538 9.538 8.298 1.240 18484 4795 1 11 . 1 1 72 72 ARG N N 72 126.426 126.426 126.319 0.107 18484 4796 1 11 . 1 1 72 72 ARG HA H 72 5.059 5.059 4.951 0.108 18484 4797 1 11 . 1 1 72 72 ARG CA C 72 54.001 54.001 54.684 -0.683 18484 4798 1 11 . 1 1 72 72 ARG CB C 72 33.500 33.500 32.098 1.402 18484 4799 1 11 . 1 1 72 72 ARG H H 72 9.191 9.191 8.071 1.120 18484 4800 1 11 . 1 1 73 73 THR N N 73 120.983 120.983 123.037 -2.054 18484 4801 1 11 . 1 1 73 73 THR HA H 73 4.522 4.522 4.529 -0.007 18484 4802 1 11 . 1 1 73 73 THR CA C 73 60.953 60.953 64.570 -3.617 18484 4803 1 11 . 1 1 73 73 THR CB C 73 68.412 68.412 69.573 -1.161 18484 4804 1 11 . 1 1 73 73 THR H H 73 9.249 9.249 8.720 0.529 18484 4805 1 11 . 1 1 74 74 HIS N N 74 125.685 125.685 126.344 -0.659 18484 4806 1 11 . 1 1 74 74 HIS HA H 74 5.153 5.153 4.949 0.204 18484 4807 1 11 . 1 1 74 74 HIS CA C 74 54.487 54.487 55.042 -0.555 18484 4808 1 11 . 1 1 74 74 HIS CB C 74 32.997 32.997 31.860 1.137 18484 4809 1 11 . 1 1 74 74 HIS H H 74 9.056 9.056 9.201 -0.145 18484 4810 1 11 . 1 1 75 75 TYR N N 75 123.688 123.688 124.805 -1.117 18484 4811 1 11 . 1 1 75 75 TYR HA H 75 4.868 4.868 4.936 -0.068 18484 4812 1 11 . 1 1 75 75 TYR CA C 75 56.499 56.499 54.234 2.265 18484 4813 1 11 . 1 1 75 75 TYR CB C 75 38.425 38.425 37.187 1.238 18484 4814 1 11 . 1 1 75 75 TYR H H 75 8.945 8.945 8.341 0.604 18484 4815 1 11 . 1 1 76 76 ILE N N 76 125.717 125.717 124.108 1.609 18484 4816 1 11 . 1 1 76 76 ILE HA H 76 4.800 4.800 4.276 0.524 18484 4817 1 11 . 1 1 76 76 ILE CA C 76 58.787 58.787 60.120 -1.333 18484 4818 1 11 . 1 1 76 76 ILE CB C 76 42.034 42.034 39.836 2.198 18484 4819 1 11 . 1 1 76 76 ILE H H 76 9.079 9.079 8.570 0.509 18484 4820 1 11 . 1 1 77 77 SER N N 77 120.473 120.473 119.854 0.619 18484 4821 1 11 . 1 1 77 77 SER HA H 77 5.183 5.183 4.770 0.413 18484 4822 1 11 . 1 1 77 77 SER CA C 77 55.930 55.930 57.291 -1.361 18484 4823 1 11 . 1 1 77 77 SER CB C 77 63.118 63.118 63.610 -0.492 18484 4824 1 11 . 1 1 77 77 SER H H 77 9.047 9.047 8.084 0.963 18484 4825 1 11 . 1 1 78 78 VAL N N 78 128.488 128.488 129.683 -1.195 18484 4826 1 11 . 1 1 78 78 VAL HA H 78 4.729 4.729 4.013 0.716 18484 4827 1 11 . 1 1 78 78 VAL CA C 78 60.517 60.517 62.745 -2.228 18484 4828 1 11 . 1 1 78 78 VAL CB C 78 33.685 33.685 32.047 1.638 18484 4829 1 11 . 1 1 78 78 VAL H H 78 9.301 9.301 8.130 1.171 18484 4830 1 11 . 1 1 79 79 LEU N N 79 129.698 129.698 131.701 -2.003 18484 4831 1 11 . 1 1 79 79 LEU HA H 79 4.783 4.783 4.660 0.123 18484 4832 1 11 . 1 1 79 79 LEU CA C 79 53.873 53.873 53.355 0.518 18484 4833 1 11 . 1 1 79 79 LEU CB C 79 45.605 45.605 41.955 3.650 18484 4834 1 11 . 1 1 79 79 LEU H H 79 8.553 8.553 8.438 0.115 18484 4835 1 11 . 1 1 80 80 THR N N 80 123.276 123.276 123.114 0.162 18484 4836 1 11 . 1 1 80 80 THR HA H 80 5.096 5.096 4.646 0.450 18484 4837 1 11 . 1 1 80 80 THR CA C 80 60.231 60.231 63.493 -3.262 18484 4838 1 11 . 1 1 80 80 THR CB C 80 68.171 68.171 69.290 -1.119 18484 4839 1 11 . 1 1 80 80 THR H H 80 8.754 8.754 8.011 0.743 18484 4840 1 11 . 1 1 81 81 GLU N N 81 125.405 125.405 128.032 -2.627 18484 4841 1 11 . 1 1 81 81 GLU HA H 81 4.530 4.530 4.506 0.024 18484 4842 1 11 . 1 1 81 81 GLU CA C 81 55.372 55.372 55.662 -0.290 18484 4843 1 11 . 1 1 81 81 GLU CB C 81 32.374 32.374 31.260 1.114 18484 4844 1 11 . 1 1 81 81 GLU H H 81 8.615 8.615 8.097 0.518 18484 4845 1 11 . 1 1 82 82 ASN N N 82 124.375 124.375 121.618 2.757 18484 4846 1 11 . 1 1 82 82 ASN HA H 82 4.360 4.360 4.465 -0.105 18484 4847 1 11 . 1 1 82 82 ASN CA C 82 54.328 54.328 53.811 0.517 18484 4848 1 11 . 1 1 82 82 ASN CB C 82 37.432 37.432 37.562 -0.130 18484 4849 1 11 . 1 1 82 82 ASN H H 82 9.559 9.559 9.137 0.422 18484 4850 1 11 . 1 1 83 83 GLY N N 83 103.733 103.733 105.412 -1.679 18484 4851 1 11 . 1 1 83 83 GLY CA C 83 45.359 45.359 44.945 0.414 18484 4852 1 11 . 1 1 83 83 GLY H H 83 8.626 8.626 8.267 0.359 18484 4853 1 11 . 1 1 84 84 LYS N N 84 121.407 121.407 117.533 3.874 18484 4854 1 11 . 1 1 84 84 LYS HA H 84 4.698 4.698 4.579 0.119 18484 4855 1 11 . 1 1 84 84 LYS CA C 84 55.182 55.182 55.139 0.043 18484 4856 1 11 . 1 1 84 84 LYS CB C 84 34.807 34.807 34.568 0.239 18484 4857 1 11 . 1 1 84 84 LYS H H 84 7.813 7.813 7.746 0.067 18484 4858 1 11 . 1 1 85 85 THR N N 85 121.799 121.799 116.949 4.850 18484 4859 1 11 . 1 1 85 85 THR HA H 85 5.194 5.194 4.547 0.647 18484 4860 1 11 . 1 1 85 85 THR CA C 85 60.472 60.472 60.536 -0.064 18484 4861 1 11 . 1 1 85 85 THR CB C 85 69.134 69.134 69.178 -0.044 18484 4862 1 11 . 1 1 85 85 THR H H 85 8.796 8.796 8.559 0.237 18484 4863 1 11 . 1 1 86 86 THR N N 86 122.071 122.071 117.376 4.695 18484 4864 1 11 . 1 1 86 86 THR HA H 86 4.535 4.535 4.338 0.197 18484 4865 1 11 . 1 1 86 86 THR CA C 86 59.990 59.990 61.027 -1.037 18484 4866 1 11 . 1 1 86 86 THR CB C 86 69.856 69.856 69.147 0.709 18484 4867 1 11 . 1 1 86 86 THR H H 86 9.134 9.134 8.569 0.565 18484 4868 1 11 . 1 1 87 87 GLU N N 87 126.429 126.429 127.081 -0.652 18484 4869 1 11 . 1 1 87 87 GLU HA H 87 5.030 5.030 4.306 0.724 18484 4870 1 11 . 1 1 87 87 GLU CA C 87 55.029 55.029 56.654 -1.625 18484 4871 1 11 . 1 1 87 87 GLU CB C 87 31.746 31.746 29.669 2.077 18484 4872 1 11 . 1 1 87 87 GLU H H 87 8.905 8.905 8.525 0.380 18484 4873 1 11 . 1 1 88 88 THR N N 88 120.353 120.353 121.807 -1.454 18484 4874 1 11 . 1 1 88 88 THR HA H 88 4.450 4.450 4.544 -0.094 18484 4875 1 11 . 1 1 88 88 THR CA C 88 60.472 60.472 61.224 -0.752 18484 4876 1 11 . 1 1 88 88 THR CB C 88 70.646 70.646 70.984 -0.338 18484 4877 1 11 . 1 1 88 88 THR H H 88 9.016 9.016 8.060 0.956 18484 4878 1 11 . 1 1 89 89 VAL N N 89 128.484 128.484 127.180 1.304 18484 4879 1 11 . 1 1 89 89 VAL HA H 89 3.978 3.978 3.905 0.073 18484 4880 1 11 . 1 1 89 89 VAL CA C 89 62.471 62.471 64.032 -1.561 18484 4881 1 11 . 1 1 89 89 VAL CB C 89 31.216 31.216 32.422 -1.206 18484 4882 1 11 . 1 1 89 89 VAL H H 89 9.054 9.054 8.838 0.216 18484 4883 1 11 . 1 1 90 90 LEU N N 90 130.587 130.587 129.132 1.455 18484 4884 1 11 . 1 1 90 90 LEU HA H 90 4.325 4.325 4.790 -0.466 18484 4885 1 11 . 1 1 90 90 LEU CA C 90 56.129 56.129 55.055 1.074 18484 4886 1 11 . 1 1 90 90 LEU CB C 90 42.958 42.958 43.281 -0.323 18484 4887 1 11 . 1 1 90 90 LEU H H 90 9.426 9.426 8.453 0.973 18484 4888 1 11 . 1 1 91 91 ASP N N 91 114.928 114.928 118.512 -3.584 18484 4889 1 11 . 1 1 91 91 ASP HA H 91 4.846 4.846 4.753 0.093 18484 4890 1 11 . 1 1 91 91 ASP CA C 91 53.688 53.688 53.111 0.577 18484 4891 1 11 . 1 1 91 91 ASP CB C 91 43.521 43.521 43.366 0.155 18484 4892 1 11 . 1 1 91 91 ASP H H 91 7.924 7.924 7.941 -0.017 18484 4893 1 11 . 1 1 92 92 SER N N 92 117.203 117.203 115.648 1.555 18484 4894 1 11 . 1 1 92 92 SER HA H 92 5.519 5.519 3.013 2.506 18484 4895 1 11 . 1 1 92 92 SER CA C 92 56.622 56.622 56.257 0.365 18484 4896 1 11 . 1 1 92 92 SER CB C 92 63.359 63.359 65.133 -1.774 18484 4897 1 11 . 1 1 92 92 SER H H 92 8.376 8.376 7.984 0.392 18484 4898 1 11 . 1 1 93 93 GLN N N 93 122.058 122.058 118.175 3.883 18484 4899 1 11 . 1 1 93 93 GLN HA H 93 4.731 4.731 4.558 0.173 18484 4900 1 11 . 1 1 93 93 GLN CA C 93 54.781 54.781 53.499 1.282 18484 4901 1 11 . 1 1 93 93 GLN CB C 93 33.312 33.312 32.513 0.799 18484 4902 1 11 . 1 1 93 93 GLN H H 93 9.005 9.005 8.027 0.978 18484 4903 1 11 . 1 1 94 94 VAL N N 94 125.231 125.231 122.120 3.111 18484 4904 1 11 . 1 1 94 94 VAL HA H 94 4.233 4.233 4.188 0.045 18484 4905 1 11 . 1 1 94 94 VAL CA C 94 63.282 63.282 62.379 0.903 18484 4906 1 11 . 1 1 94 94 VAL CB C 94 30.906 30.906 30.975 -0.069 18484 4907 1 11 . 1 1 94 94 VAL H H 94 9.085 9.085 8.538 0.547 18484 4908 1 11 . 1 1 95 95 THR N N 95 121.170 121.170 120.179 0.991 18484 4909 1 11 . 1 1 95 95 THR HA H 95 4.384 4.384 4.553 -0.169 18484 4910 1 11 . 1 1 95 95 THR CA C 95 60.953 60.953 61.085 -0.132 18484 4911 1 11 . 1 1 95 95 THR CB C 95 68.653 68.653 68.435 0.218 18484 4912 1 11 . 1 1 95 95 THR H H 95 8.521 8.521 8.317 0.204 18484 4913 1 11 . 1 1 96 96 LYS N N 96 123.236 123.236 122.248 0.988 18484 4914 1 11 . 1 1 96 96 LYS HA H 96 4.418 4.418 4.219 0.199 18484 4915 1 11 . 1 1 96 96 LYS CA C 96 56.418 56.418 57.036 -0.618 18484 4916 1 11 . 1 1 96 96 LYS CB C 96 35.690 35.690 33.255 2.435 18484 4917 1 11 . 1 1 96 96 LYS H H 96 7.912 7.912 8.380 -0.468 18484 4918 1 11 . 1 1 97 97 GLU N N 97 125.835 125.835 119.415 6.420 18484 4919 1 11 . 1 1 97 97 GLU HA H 97 4.151 4.151 4.128 0.023 18484 4920 1 11 . 1 1 97 97 GLU CA C 97 56.412 56.412 56.602 -0.190 18484 4921 1 11 . 1 1 97 97 GLU CB C 97 29.948 29.948 29.463 0.485 18484 4922 1 11 . 1 1 97 97 GLU H H 97 8.665 8.665 8.196 0.469 18484 4923 1 11 . 1 1 98 98 VAL N N 98 122.204 122.204 122.418 -0.214 18484 4924 1 11 . 1 1 98 98 VAL HA H 98 3.915 3.915 4.116 -0.201 18484 4925 1 11 . 1 1 98 98 VAL CA C 98 60.208 60.208 62.550 -2.342 18484 4926 1 11 . 1 1 98 98 VAL CB C 98 33.692 33.692 32.164 1.528 18484 4927 1 11 . 1 1 98 98 VAL H H 98 8.339 8.339 8.375 -0.036 18484 4928 1 11 . 1 1 99 99 ILE N N 99 127.874 127.874 128.396 -0.522 18484 4929 1 11 . 1 1 99 99 ILE HA H 99 4.197 4.197 4.012 0.185 18484 4930 1 11 . 1 1 99 99 ILE CA C 99 60.606 60.606 60.636 -0.030 18484 4931 1 11 . 1 1 99 99 ILE CB C 99 39.186 39.186 37.474 1.712 18484 4932 1 11 . 1 1 99 99 ILE H H 99 8.608 8.608 7.865 0.743 18484 4933 1 11 . 1 1 100 100 ASN N N 100 123.343 123.343 125.586 -2.243 18484 4934 1 11 . 1 1 100 100 ASN HA H 100 4.914 4.914 4.804 0.110 18484 4935 1 11 . 1 1 100 100 ASN CA C 100 53.704 53.704 51.967 1.737 18484 4936 1 11 . 1 1 100 100 ASN CB C 100 37.731 37.731 40.008 -2.276 18484 4937 1 11 . 1 1 100 100 ASN H H 100 8.446 8.446 8.342 0.104 18484 4938 1 11 . 1 1 101 101 GLN N N 101 120.980 120.980 123.277 -2.297 18484 4939 1 11 . 1 1 101 101 GLN HA H 101 4.325 4.325 4.351 -0.026 18484 4940 1 11 . 1 1 101 101 GLN CA C 101 54.659 54.659 55.338 -0.679 18484 4941 1 11 . 1 1 101 101 GLN CB C 101 31.616 31.616 28.158 3.458 18484 4942 1 11 . 1 1 101 101 GLN H H 101 8.254 8.254 8.688 -0.434 18484 4943 1 11 . 1 1 102 102 VAL N N 102 127.057 127.057 129.366 -2.309 18484 4944 1 11 . 1 1 102 102 VAL HA H 102 4.965 4.965 4.161 0.804 18484 4945 1 11 . 1 1 102 102 VAL CA C 102 60.264 60.264 61.845 -1.581 18484 4946 1 11 . 1 1 102 102 VAL CB C 102 33.626 33.626 31.583 2.043 18484 4947 1 11 . 1 1 102 102 VAL H H 102 8.742 8.742 8.981 -0.239 18484 4948 1 11 . 1 1 103 103 VAL N N 103 127.794 127.794 127.695 0.099 18484 4949 1 11 . 1 1 103 103 VAL HA H 103 4.812 4.812 5.225 -0.413 18484 4950 1 11 . 1 1 103 103 VAL CA C 103 58.547 58.547 58.430 0.117 18484 4951 1 11 . 1 1 103 103 VAL CB C 103 35.718 35.718 35.708 0.010 18484 4952 1 11 . 1 1 103 103 VAL H H 103 9.160 9.160 8.068 1.092 18484 4953 1 11 . 1 1 104 104 GLU N N 104 125.160 125.160 126.206 -1.046 18484 4954 1 11 . 1 1 104 104 GLU HA H 104 5.513 5.513 4.617 0.896 18484 4955 1 11 . 1 1 104 104 GLU CA C 104 53.721 53.721 55.097 -1.376 18484 4956 1 11 . 1 1 104 104 GLU CB C 104 32.383 32.383 32.745 -0.362 18484 4957 1 11 . 1 1 104 104 GLU H H 104 9.085 9.085 8.088 0.997 18484 4958 1 11 . 1 1 105 105 VAL N N 105 117.602 117.602 122.030 -4.428 18484 4959 1 11 . 1 1 105 105 VAL HA H 105 5.241 5.241 5.077 0.164 18484 4960 1 11 . 1 1 105 105 VAL CA C 105 57.055 57.055 59.598 -2.543 18484 4961 1 11 . 1 1 105 105 VAL CB C 105 35.204 35.204 34.217 0.987 18484 4962 1 11 . 1 1 105 105 VAL H H 105 8.536 8.536 8.963 -0.427 18484 4963 1 11 . 1 1 106 106 GLY N N 106 111.023 111.023 113.451 -2.428 18484 4964 1 11 . 1 1 106 106 GLY CA C 106 46.117 46.117 44.823 1.294 18484 4965 1 11 . 1 1 106 106 GLY H H 106 8.635 8.635 8.259 0.376 18484 4966 1 11 . 1 1 107 107 ALA N N 107 127.369 127.369 128.129 -0.760 18484 4967 1 11 . 1 1 107 107 ALA HA H 107 4.515 4.515 4.107 0.408 18484 4968 1 11 . 1 1 107 107 ALA CA C 107 50.477 50.477 51.975 -1.498 18484 4969 1 11 . 1 1 107 107 ALA CB C 107 19.924 19.924 17.638 2.286 18484 4970 1 11 . 1 1 107 107 ALA H H 107 7.929 7.929 8.014 -0.085 18484 4971 1 11 . 1 1 108 108 PRO HA H 108 4.494 4.494 4.556 -0.062 18484 4972 1 11 . 1 1 108 108 PRO CA C 108 61.698 61.698 62.630 -0.931 18484 4973 1 11 . 1 1 108 108 PRO CB C 108 31.900 31.900 32.271 -0.371 18484 4974 1 11 . 1 1 109 109 VAL N N 109 119.821 119.821 116.499 3.322 18484 4975 1 11 . 1 1 109 109 VAL HA H 109 4.092 4.092 4.251 -0.159 18484 4976 1 11 . 1 1 109 109 VAL CA C 109 60.949 60.949 63.996 -3.047 18484 4977 1 11 . 1 1 109 109 VAL CB C 109 32.389 32.389 31.649 0.740 18484 4978 1 11 . 1 1 109 109 VAL H H 109 8.303 8.303 8.158 0.145 18484 4979 1 11 . 1 1 110 110 THR N N 110 118.171 118.171 112.088 6.083 18484 4980 1 11 . 1 1 110 110 THR HA H 110 4.338 4.338 4.319 0.019 18484 4981 1 11 . 1 1 110 110 THR CA C 110 59.028 59.028 63.153 -4.125 18484 4982 1 11 . 1 1 110 110 THR CB C 110 67.676 67.676 69.009 -1.333 18484 4983 1 11 . 1 1 110 110 THR H H 110 8.209 8.209 8.182 0.027 18484 4984 1 12 . 1 1 2 2 GLY N N 2 110.403 110.403 109.673 0.730 18484 4985 1 12 . 1 1 2 2 GLY H H 2 8.459 8.459 8.529 -0.070 18484 4986 1 12 . 1 1 10 10 SER HA H 10 4.435 4.435 4.727 -0.292 18484 4987 1 12 . 1 1 11 11 SER CA C 11 57.649 57.649 58.106 -0.458 18484 4988 1 12 . 1 1 11 11 SER CB C 11 62.672 62.672 64.877 -2.205 18484 4989 1 12 . 1 1 12 12 GLY N N 12 110.471 110.471 108.770 1.701 18484 4990 1 12 . 1 1 12 12 GLY CA C 12 45.312 45.312 45.675 -0.363 18484 4991 1 12 . 1 1 12 12 GLY H H 12 8.365 8.365 8.358 0.007 18484 4992 1 12 . 1 1 13 13 LEU N N 13 121.432 121.432 118.990 2.442 18484 4993 1 12 . 1 1 13 13 LEU HA H 13 4.327 4.327 4.765 -0.438 18484 4994 1 12 . 1 1 13 13 LEU CA C 13 55.573 55.573 55.453 0.120 18484 4995 1 12 . 1 1 13 13 LEU CB C 13 42.428 42.428 43.912 -1.484 18484 4996 1 12 . 1 1 13 13 LEU H H 13 8.024 8.024 8.266 -0.242 18484 4997 1 12 . 1 1 14 14 VAL N N 14 122.309 122.309 118.500 3.809 18484 4998 1 12 . 1 1 14 14 VAL H H 14 8.062 8.062 8.042 0.020 18484 4999 1 12 . 1 1 16 16 ARG N N 16 121.951 121.951 120.119 1.832 18484 5000 1 12 . 1 1 16 16 ARG HA H 16 4.312 4.312 4.026 0.286 18484 5001 1 12 . 1 1 16 16 ARG CA C 16 56.102 56.102 57.246 -1.144 18484 5002 1 12 . 1 1 16 16 ARG CB C 16 30.891 30.891 30.548 0.343 18484 5003 1 12 . 1 1 16 16 ARG H H 16 8.465 8.465 8.311 0.154 18484 5004 1 12 . 1 1 20 20 MET HA H 20 4.435 4.435 4.670 -0.235 18484 5005 1 12 . 1 1 20 20 MET CA C 20 55.500 55.500 55.652 -0.152 18484 5006 1 12 . 1 1 20 20 MET CB C 20 32.070 32.070 33.773 -1.703 18484 5007 1 12 . 1 1 21 21 SER N N 21 117.005 117.005 122.050 -5.045 18484 5008 1 12 . 1 1 21 21 SER HA H 21 4.435 4.435 4.421 0.014 18484 5009 1 12 . 1 1 21 21 SER CA C 21 57.066 57.066 59.702 -2.636 18484 5010 1 12 . 1 1 21 21 SER CB C 21 62.566 62.566 63.073 -0.507 18484 5011 1 12 . 1 1 21 21 SER H H 21 8.332 8.332 8.616 -0.284 18484 5012 1 12 . 1 1 22 22 LEU N N 22 124.083 124.083 124.730 -0.647 18484 5013 1 12 . 1 1 22 22 LEU HA H 22 4.348 4.348 4.422 -0.074 18484 5014 1 12 . 1 1 22 22 LEU CA C 22 55.471 55.471 55.233 0.238 18484 5015 1 12 . 1 1 22 22 LEU CB C 22 42.322 42.322 41.600 0.722 18484 5016 1 12 . 1 1 22 22 LEU H H 22 8.340 8.340 7.741 0.599 18484 5017 1 12 . 1 1 23 23 ASP N N 23 120.867 120.867 124.158 -3.291 18484 5018 1 12 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.812 -0.246 18484 5019 1 12 . 1 1 23 23 ASP CA C 23 54.687 54.687 53.850 0.837 18484 5020 1 12 . 1 1 23 23 ASP CB C 23 41.553 41.553 42.402 -0.849 18484 5021 1 12 . 1 1 23 23 ASP H H 23 8.312 8.312 8.243 0.069 18484 5022 1 12 . 1 1 24 24 GLU N N 24 121.470 121.470 123.250 -1.780 18484 5023 1 12 . 1 1 24 24 GLU HA H 24 4.566 4.566 4.521 0.045 18484 5024 1 12 . 1 1 24 24 GLU CA C 24 56.921 56.921 55.477 1.444 18484 5025 1 12 . 1 1 24 24 GLU CB C 24 30.015 30.015 29.718 0.297 18484 5026 1 12 . 1 1 24 24 GLU H H 24 8.411 8.411 8.523 -0.112 18484 5027 1 12 . 1 1 25 25 ASN N N 25 118.582 118.582 123.027 -4.445 18484 5028 1 12 . 1 1 25 25 ASN HA H 25 4.707 4.707 4.710 -0.003 18484 5029 1 12 . 1 1 25 25 ASN CA C 25 53.593 53.593 53.009 0.584 18484 5030 1 12 . 1 1 25 25 ASN CB C 25 39.188 39.188 39.042 0.146 18484 5031 1 12 . 1 1 25 25 ASN H H 25 8.436 8.436 8.488 -0.052 18484 5032 1 12 . 1 1 26 26 GLU N N 26 121.262 121.262 124.175 -2.913 18484 5033 1 12 . 1 1 26 26 GLU HA H 26 4.247 4.247 4.304 -0.057 18484 5034 1 12 . 1 1 26 26 GLU CA C 26 56.310 56.310 56.478 -0.168 18484 5035 1 12 . 1 1 26 26 GLU CB C 26 30.342 30.342 30.180 0.162 18484 5036 1 12 . 1 1 26 26 GLU H H 26 8.196 8.196 8.634 -0.438 18484 5037 1 12 . 1 1 27 27 VAL N N 27 121.381 121.381 124.266 -2.885 18484 5038 1 12 . 1 1 27 27 VAL HA H 27 4.036 4.036 4.222 -0.186 18484 5039 1 12 . 1 1 27 27 VAL CA C 27 62.396 62.396 61.835 0.561 18484 5040 1 12 . 1 1 27 27 VAL CB C 27 32.770 32.770 31.939 0.831 18484 5041 1 12 . 1 1 27 27 VAL H H 27 8.092 8.092 8.529 -0.437 18484 5042 1 12 . 1 1 28 28 ALA N N 28 127.549 127.549 126.953 0.596 18484 5043 1 12 . 1 1 28 28 ALA HA H 28 4.300 4.300 3.973 0.327 18484 5044 1 12 . 1 1 28 28 ALA CA C 28 52.388 52.388 53.017 -0.629 18484 5045 1 12 . 1 1 28 28 ALA CB C 28 20.383 20.383 18.520 1.863 18484 5046 1 12 . 1 1 28 28 ALA H H 28 8.280 8.280 8.212 0.068 18484 5047 1 12 . 1 1 29 29 ALA N N 29 122.963 122.963 122.197 0.766 18484 5048 1 12 . 1 1 29 29 ALA HA H 29 4.257 4.257 4.199 0.058 18484 5049 1 12 . 1 1 29 29 ALA CA C 29 52.737 52.737 52.771 -0.034 18484 5050 1 12 . 1 1 29 29 ALA CB C 29 20.585 20.585 19.710 0.875 18484 5051 1 12 . 1 1 29 29 ALA H H 29 8.182 8.182 8.489 -0.307 18484 5052 1 12 . 1 1 30 30 ASN N N 30 117.863 117.863 115.159 2.704 18484 5053 1 12 . 1 1 30 30 ASN HA H 30 4.697 4.697 4.592 0.105 18484 5054 1 12 . 1 1 30 30 ASN CA C 30 53.107 53.107 53.657 -0.550 18484 5055 1 12 . 1 1 30 30 ASN CB C 30 38.876 38.876 38.487 0.389 18484 5056 1 12 . 1 1 30 30 ASN H H 30 8.323 8.323 8.136 0.186 18484 5057 1 12 . 1 1 31 31 VAL N N 31 120.074 120.074 117.141 2.933 18484 5058 1 12 . 1 1 31 31 VAL HA H 31 4.131 4.131 4.185 -0.054 18484 5059 1 12 . 1 1 31 31 VAL CA C 31 60.983 60.983 63.536 -2.553 18484 5060 1 12 . 1 1 31 31 VAL CB C 31 32.827 32.827 30.006 2.821 18484 5061 1 12 . 1 1 31 31 VAL H H 31 8.041 8.041 8.266 -0.225 18484 5062 1 12 . 1 1 32 32 GLU N N 32 124.378 124.378 129.069 -4.691 18484 5063 1 12 . 1 1 32 32 GLU HA H 32 4.339 4.339 4.700 -0.361 18484 5064 1 12 . 1 1 32 32 GLU CA C 32 56.728 56.728 55.747 0.981 18484 5065 1 12 . 1 1 32 32 GLU CB C 32 30.439 30.439 31.068 -0.629 18484 5066 1 12 . 1 1 32 32 GLU H H 32 8.487 8.487 8.496 -0.009 18484 5067 1 12 . 1 1 33 33 THR N N 33 116.772 116.772 113.167 3.605 18484 5068 1 12 . 1 1 33 33 THR HA H 33 4.312 4.312 4.594 -0.282 18484 5069 1 12 . 1 1 33 33 THR CA C 33 60.472 60.472 62.129 -1.657 18484 5070 1 12 . 1 1 33 33 THR CB C 33 68.412 68.412 69.384 -0.972 18484 5071 1 12 . 1 1 33 33 THR H H 33 8.224 8.224 8.268 -0.044 18484 5072 1 12 . 1 1 34 34 ARG N N 34 124.955 124.955 124.868 0.087 18484 5073 1 12 . 1 1 34 34 ARG HA H 34 4.732 4.732 4.691 0.041 18484 5074 1 12 . 1 1 34 34 ARG CA C 34 53.635 53.635 54.669 -1.034 18484 5075 1 12 . 1 1 34 34 ARG CB C 34 30.581 30.581 30.705 -0.124 18484 5076 1 12 . 1 1 34 34 ARG H H 34 8.438 8.438 8.189 0.249 18484 5077 1 12 . 1 1 35 35 PRO HA H 35 4.667 4.667 4.413 0.254 18484 5078 1 12 . 1 1 35 35 PRO CA C 35 61.995 61.995 62.816 -0.821 18484 5079 1 12 . 1 1 35 35 PRO CB C 35 32.459 32.459 32.503 -0.044 18484 5080 1 12 . 1 1 36 36 GLU N N 36 121.398 121.398 119.897 1.501 18484 5081 1 12 . 1 1 36 36 GLU HA H 36 4.509 4.509 4.420 0.089 18484 5082 1 12 . 1 1 36 36 GLU CA C 36 55.563 55.563 56.110 -0.547 18484 5083 1 12 . 1 1 36 36 GLU CB C 36 31.628 31.628 30.564 1.064 18484 5084 1 12 . 1 1 36 36 GLU H H 36 8.663 8.663 8.586 0.077 18484 5085 1 12 . 1 1 37 37 LEU N N 37 125.233 125.233 122.327 2.906 18484 5086 1 12 . 1 1 37 37 LEU HA H 37 5.240 5.240 4.338 0.902 18484 5087 1 12 . 1 1 37 37 LEU CA C 37 54.120 54.120 54.609 -0.489 18484 5088 1 12 . 1 1 37 37 LEU CB C 37 42.407 42.407 41.441 0.966 18484 5089 1 12 . 1 1 37 37 LEU H H 37 8.352 8.352 8.390 -0.038 18484 5090 1 12 . 1 1 38 38 ILE N N 38 121.904 121.904 123.457 -1.553 18484 5091 1 12 . 1 1 38 38 ILE HA H 38 4.775 4.775 4.839 -0.064 18484 5092 1 12 . 1 1 38 38 ILE CA C 38 58.065 58.065 59.684 -1.619 18484 5093 1 12 . 1 1 38 38 ILE CB C 38 41.790 41.790 40.446 1.344 18484 5094 1 12 . 1 1 38 38 ILE H H 38 9.224 9.224 8.371 0.853 18484 5095 1 12 . 1 1 39 39 THR N N 39 111.692 111.692 111.010 0.682 18484 5096 1 12 . 1 1 39 39 THR HA H 39 5.443 5.443 4.945 0.498 18484 5097 1 12 . 1 1 39 39 THR CA C 39 57.825 57.825 61.004 -3.179 18484 5098 1 12 . 1 1 39 39 THR CB C 39 70.337 70.337 71.178 -0.841 18484 5099 1 12 . 1 1 39 39 THR H H 39 8.077 8.077 8.267 -0.190 18484 5100 1 12 . 1 1 40 40 ARG N N 40 121.666 121.666 123.123 -1.457 18484 5101 1 12 . 1 1 40 40 ARG HA H 40 4.707 4.707 4.552 0.155 18484 5102 1 12 . 1 1 40 40 ARG CA C 40 55.674 55.674 55.846 -0.172 18484 5103 1 12 . 1 1 40 40 ARG CB C 40 34.932 34.932 32.843 2.089 18484 5104 1 12 . 1 1 40 40 ARG H H 40 8.558 8.558 8.887 -0.329 18484 5105 1 12 . 1 1 41 41 THR N N 41 115.335 115.335 121.437 -6.102 18484 5106 1 12 . 1 1 41 41 THR HA H 41 5.345 5.345 4.803 0.542 18484 5107 1 12 . 1 1 41 41 THR CA C 41 59.028 59.028 61.769 -2.741 18484 5108 1 12 . 1 1 41 41 THR CB C 41 70.332 70.332 69.595 0.737 18484 5109 1 12 . 1 1 41 41 THR H H 41 8.532 8.532 8.526 0.006 18484 5110 1 12 . 1 1 42 42 GLU N N 42 122.278 122.278 128.410 -6.132 18484 5111 1 12 . 1 1 42 42 GLU HA H 42 4.705 4.705 4.545 0.160 18484 5112 1 12 . 1 1 42 42 GLU CA C 42 54.318 54.318 53.822 0.496 18484 5113 1 12 . 1 1 42 42 GLU CB C 42 33.984 33.984 30.965 3.019 18484 5114 1 12 . 1 1 42 42 GLU H H 42 9.049 9.049 8.215 0.834 18484 5115 1 12 . 1 1 43 43 GLU N N 43 122.782 122.782 120.245 2.537 18484 5116 1 12 . 1 1 43 43 GLU HA H 43 4.659 4.659 4.229 0.430 18484 5117 1 12 . 1 1 43 43 GLU CA C 43 56.074 56.074 56.526 -0.452 18484 5118 1 12 . 1 1 43 43 GLU CB C 43 31.559 31.559 28.158 3.401 18484 5119 1 12 . 1 1 43 43 GLU H H 43 8.722 8.722 8.615 0.107 18484 5120 1 12 . 1 1 44 44 ILE N N 44 123.255 123.255 125.809 -2.554 18484 5121 1 12 . 1 1 44 44 ILE HA H 44 4.557 4.557 4.485 0.072 18484 5122 1 12 . 1 1 44 44 ILE CA C 44 55.622 55.622 58.020 -2.398 18484 5123 1 12 . 1 1 44 44 ILE CB C 44 40.902 40.902 38.499 2.403 18484 5124 1 12 . 1 1 44 44 ILE H H 44 7.740 7.740 7.863 -0.123 18484 5125 1 12 . 1 1 45 45 PRO HA H 45 4.177 4.177 4.492 -0.315 18484 5126 1 12 . 1 1 45 45 PRO CA C 45 61.978 61.978 62.299 -0.321 18484 5127 1 12 . 1 1 45 45 PRO CB C 45 32.314 32.314 32.244 0.070 18484 5128 1 12 . 1 1 46 46 PHE N N 46 114.670 114.670 117.136 -2.466 18484 5129 1 12 . 1 1 46 46 PHE HA H 46 4.913 4.913 4.758 0.155 18484 5130 1 12 . 1 1 46 46 PHE CA C 46 54.749 54.749 56.207 -1.458 18484 5131 1 12 . 1 1 46 46 PHE CB C 46 42.057 42.057 40.556 1.501 18484 5132 1 12 . 1 1 46 46 PHE H H 46 6.912 6.912 7.724 -0.812 18484 5133 1 12 . 1 1 47 47 GLU N N 47 120.217 120.217 120.793 -0.576 18484 5134 1 12 . 1 1 47 47 GLU HA H 47 4.600 4.600 4.470 0.130 18484 5135 1 12 . 1 1 47 47 GLU CA C 47 54.771 54.771 55.603 -0.833 18484 5136 1 12 . 1 1 47 47 GLU CB C 47 32.338 32.338 32.251 0.087 18484 5137 1 12 . 1 1 47 47 GLU H H 47 8.271 8.271 8.622 -0.351 18484 5138 1 12 . 1 1 48 48 VAL N N 48 121.331 121.331 122.968 -1.637 18484 5139 1 12 . 1 1 48 48 VAL HA H 48 4.734 4.734 4.282 0.452 18484 5140 1 12 . 1 1 48 48 VAL CA C 48 61.472 61.472 63.279 -1.807 18484 5141 1 12 . 1 1 48 48 VAL CB C 48 32.699 32.699 32.538 0.161 18484 5142 1 12 . 1 1 48 48 VAL H H 48 8.625 8.625 8.553 0.072 18484 5143 1 12 . 1 1 49 49 ILE N N 49 132.310 132.310 123.193 9.117 18484 5144 1 12 . 1 1 49 49 ILE HA H 49 4.205 4.205 4.479 -0.274 18484 5145 1 12 . 1 1 49 49 ILE CA C 49 58.886 58.886 59.961 -1.075 18484 5146 1 12 . 1 1 49 49 ILE CB C 49 39.037 39.037 42.054 -3.017 18484 5147 1 12 . 1 1 49 49 ILE H H 49 9.505 9.505 7.913 1.592 18484 5148 1 12 . 1 1 50 50 LYS N N 50 125.764 125.764 123.981 1.783 18484 5149 1 12 . 1 1 50 50 LYS HA H 50 5.284 5.284 4.732 0.552 18484 5150 1 12 . 1 1 50 50 LYS CA C 50 54.802 54.802 55.659 -0.857 18484 5151 1 12 . 1 1 50 50 LYS CB C 50 34.186 34.186 33.355 0.831 18484 5152 1 12 . 1 1 50 50 LYS H H 50 8.507 8.507 8.497 0.010 18484 5153 1 12 . 1 1 51 51 LYS N N 51 124.935 124.935 125.955 -1.020 18484 5154 1 12 . 1 1 51 51 LYS HA H 51 4.608 4.608 4.488 0.120 18484 5155 1 12 . 1 1 51 51 LYS CA C 51 54.006 54.006 54.828 -0.822 18484 5156 1 12 . 1 1 51 51 LYS CB C 51 34.756 34.756 33.999 0.757 18484 5157 1 12 . 1 1 51 51 LYS H H 51 9.066 9.066 8.101 0.965 18484 5158 1 12 . 1 1 52 52 GLU N N 52 124.186 124.186 125.287 -1.101 18484 5159 1 12 . 1 1 52 52 GLU HA H 52 4.621 4.621 4.582 0.039 18484 5160 1 12 . 1 1 52 52 GLU CA C 52 55.931 55.931 55.981 -0.050 18484 5161 1 12 . 1 1 52 52 GLU CB C 52 31.036 31.036 29.253 1.783 18484 5162 1 12 . 1 1 52 52 GLU H H 52 8.777 8.777 8.749 0.028 18484 5163 1 12 . 1 1 53 53 ASN N N 53 121.687 121.687 125.025 -3.338 18484 5164 1 12 . 1 1 53 53 ASN HA H 53 5.240 5.240 5.123 0.117 18484 5165 1 12 . 1 1 53 53 ASN CA C 53 49.409 49.409 49.909 -0.500 18484 5166 1 12 . 1 1 53 53 ASN CB C 53 40.473 40.473 39.138 1.335 18484 5167 1 12 . 1 1 53 53 ASN H H 53 8.890 8.890 8.964 -0.074 18484 5168 1 12 . 1 1 54 54 PRO HA H 54 4.587 4.587 4.484 0.103 18484 5169 1 12 . 1 1 54 54 PRO CA C 54 62.650 62.650 64.849 -2.199 18484 5170 1 12 . 1 1 54 54 PRO CB C 54 32.219 32.219 32.417 -0.198 18484 5171 1 12 . 1 1 55 55 ASN N N 55 115.629 115.629 117.123 -1.494 18484 5172 1 12 . 1 1 55 55 ASN HA H 55 4.695 4.695 4.491 0.204 18484 5173 1 12 . 1 1 55 55 ASN CA C 55 53.685 53.685 53.882 -0.197 18484 5174 1 12 . 1 1 55 55 ASN CB C 55 39.137 39.137 37.451 1.686 18484 5175 1 12 . 1 1 55 55 ASN H H 55 8.422 8.422 8.260 0.162 18484 5176 1 12 . 1 1 56 56 LEU N N 56 121.277 121.277 120.010 1.267 18484 5177 1 12 . 1 1 56 56 LEU HA H 56 4.686 4.686 4.237 0.449 18484 5178 1 12 . 1 1 56 56 LEU CA C 56 52.145 52.145 54.036 -1.891 18484 5179 1 12 . 1 1 56 56 LEU CB C 56 42.456 42.456 42.187 0.270 18484 5180 1 12 . 1 1 56 56 LEU H H 56 7.278 7.278 7.799 -0.521 18484 5181 1 12 . 1 1 57 57 PRO HA H 57 4.298 4.298 4.462 -0.164 18484 5182 1 12 . 1 1 57 57 PRO CA C 57 61.332 61.332 62.344 -1.012 18484 5183 1 12 . 1 1 57 57 PRO CB C 57 32.232 32.232 31.070 1.162 18484 5184 1 12 . 1 1 58 58 ALA N N 58 123.896 123.896 120.629 3.267 18484 5185 1 12 . 1 1 58 58 ALA HA H 58 3.892 3.892 4.098 -0.206 18484 5186 1 12 . 1 1 58 58 ALA CA C 58 53.559 53.559 52.724 0.835 18484 5187 1 12 . 1 1 58 58 ALA CB C 58 19.480 19.480 17.911 1.569 18484 5188 1 12 . 1 1 58 58 ALA H H 58 8.263 8.263 7.895 0.368 18484 5189 1 12 . 1 1 59 59 GLY N N 59 110.843 110.843 108.851 1.992 18484 5190 1 12 . 1 1 59 59 GLY CA C 59 45.339 45.339 45.221 0.118 18484 5191 1 12 . 1 1 59 59 GLY H H 59 8.755 8.755 8.384 0.371 18484 5192 1 12 . 1 1 60 60 GLN N N 60 121.444 121.444 121.107 0.337 18484 5193 1 12 . 1 1 60 60 GLN HA H 60 4.251 4.251 4.451 -0.200 18484 5194 1 12 . 1 1 60 60 GLN CA C 60 56.080 56.080 55.626 0.454 18484 5195 1 12 . 1 1 60 60 GLN CB C 60 29.876 29.876 30.118 -0.242 18484 5196 1 12 . 1 1 60 60 GLN H H 60 7.877 7.877 8.177 -0.300 18484 5197 1 12 . 1 1 61 61 GLU N N 61 123.364 123.364 123.552 -0.188 18484 5198 1 12 . 1 1 61 61 GLU HA H 61 5.241 5.241 4.983 0.258 18484 5199 1 12 . 1 1 61 61 GLU CA C 61 55.012 55.012 54.512 0.500 18484 5200 1 12 . 1 1 61 61 GLU CB C 61 32.368 32.368 33.400 -1.032 18484 5201 1 12 . 1 1 61 61 GLU H H 61 8.419 8.419 8.550 -0.131 18484 5202 1 12 . 1 1 62 62 ASN N N 62 121.499 121.499 116.892 4.607 18484 5203 1 12 . 1 1 62 62 ASN HA H 62 5.078 5.078 4.799 0.279 18484 5204 1 12 . 1 1 62 62 ASN CA C 62 51.617 51.617 52.221 -0.604 18484 5205 1 12 . 1 1 62 62 ASN CB C 62 40.999 40.999 40.084 0.915 18484 5206 1 12 . 1 1 62 62 ASN H H 62 9.164 9.164 8.301 0.863 18484 5207 1 12 . 1 1 63 63 ILE N N 63 125.976 125.976 121.543 4.433 18484 5208 1 12 . 1 1 63 63 ILE HA H 63 3.979 3.979 4.348 -0.369 18484 5209 1 12 . 1 1 63 63 ILE CA C 63 61.650 61.650 59.761 1.889 18484 5210 1 12 . 1 1 63 63 ILE CB C 63 37.404 37.404 35.894 1.510 18484 5211 1 12 . 1 1 63 63 ILE H H 63 9.032 9.032 8.625 0.407 18484 5212 1 12 . 1 1 64 64 ILE N N 64 130.073 130.073 128.107 1.966 18484 5213 1 12 . 1 1 64 64 ILE HA H 64 4.139 4.139 4.020 0.119 18484 5214 1 12 . 1 1 64 64 ILE CA C 64 60.699 60.699 62.498 -1.799 18484 5215 1 12 . 1 1 64 64 ILE CB C 64 38.029 38.029 37.921 0.108 18484 5216 1 12 . 1 1 64 64 ILE H H 64 8.876 8.876 8.464 0.412 18484 5217 1 12 . 1 1 65 65 THR N N 65 116.771 116.771 113.678 3.093 18484 5218 1 12 . 1 1 65 65 THR HA H 65 4.349 4.349 4.425 -0.076 18484 5219 1 12 . 1 1 65 65 THR CA C 65 60.066 60.066 61.307 -1.241 18484 5220 1 12 . 1 1 65 65 THR CB C 65 71.059 71.059 69.710 1.349 18484 5221 1 12 . 1 1 65 65 THR H H 65 7.699 7.699 7.491 0.208 18484 5222 1 12 . 1 1 66 66 ALA N N 66 130.117 130.117 127.789 2.328 18484 5223 1 12 . 1 1 66 66 ALA HA H 66 3.928 3.928 4.015 -0.087 18484 5224 1 12 . 1 1 66 66 ALA CA C 66 51.617 51.617 53.065 -1.448 18484 5225 1 12 . 1 1 66 66 ALA CB C 66 19.653 19.653 19.337 0.316 18484 5226 1 12 . 1 1 66 66 ALA H H 66 8.579 8.579 8.212 0.367 18484 5227 1 12 . 1 1 67 67 GLY N N 67 107.619 107.619 107.591 0.028 18484 5228 1 12 . 1 1 67 67 GLY CA C 67 43.606 43.606 43.798 -0.192 18484 5229 1 12 . 1 1 67 67 GLY H H 67 8.387 8.387 7.458 0.929 18484 5230 1 12 . 1 1 68 68 VAL N N 68 123.776 123.776 123.626 0.150 18484 5231 1 12 . 1 1 68 68 VAL HA H 68 4.124 4.124 4.222 -0.098 18484 5232 1 12 . 1 1 68 68 VAL CA C 68 60.443 60.443 60.054 0.389 18484 5233 1 12 . 1 1 68 68 VAL CB C 68 34.972 34.972 35.395 -0.423 18484 5234 1 12 . 1 1 68 68 VAL H H 68 8.966 8.966 8.352 0.614 18484 5235 1 12 . 1 1 69 69 LYS N N 69 125.803 125.803 126.797 -0.994 18484 5236 1 12 . 1 1 69 69 LYS HA H 69 4.448 4.448 4.332 0.116 18484 5237 1 12 . 1 1 69 69 LYS CA C 69 57.012 57.012 57.387 -0.375 18484 5238 1 12 . 1 1 69 69 LYS CB C 69 33.410 33.410 32.436 0.974 18484 5239 1 12 . 1 1 69 69 LYS H H 69 8.799 8.799 8.978 -0.179 18484 5240 1 12 . 1 1 70 70 GLY N N 70 108.188 108.188 111.908 -3.720 18484 5241 1 12 . 1 1 70 70 GLY CA C 70 43.549 43.549 43.473 0.076 18484 5242 1 12 . 1 1 70 70 GLY H H 70 8.858 8.858 8.118 0.740 18484 5243 1 12 . 1 1 71 71 GLU N N 71 123.030 123.030 117.288 5.742 18484 5244 1 12 . 1 1 71 71 GLU HA H 71 5.059 5.059 4.528 0.531 18484 5245 1 12 . 1 1 71 71 GLU CA C 71 56.146 56.146 56.249 -0.103 18484 5246 1 12 . 1 1 71 71 GLU CB C 71 36.142 36.142 33.671 2.471 18484 5247 1 12 . 1 1 71 71 GLU H H 71 9.538 9.538 8.299 1.239 18484 5248 1 12 . 1 1 72 72 ARG N N 72 126.426 126.426 122.511 3.915 18484 5249 1 12 . 1 1 72 72 ARG HA H 72 5.059 5.059 4.935 0.124 18484 5250 1 12 . 1 1 72 72 ARG CA C 72 54.001 54.001 55.212 -1.212 18484 5251 1 12 . 1 1 72 72 ARG CB C 72 33.500 33.500 33.311 0.189 18484 5252 1 12 . 1 1 72 72 ARG H H 72 9.191 9.191 8.293 0.898 18484 5253 1 12 . 1 1 73 73 THR N N 73 120.983 120.983 125.441 -4.458 18484 5254 1 12 . 1 1 73 73 THR HA H 73 4.522 4.522 4.471 0.051 18484 5255 1 12 . 1 1 73 73 THR CA C 73 60.953 60.953 64.138 -3.185 18484 5256 1 12 . 1 1 73 73 THR CB C 73 68.412 68.412 69.435 -1.023 18484 5257 1 12 . 1 1 73 73 THR H H 73 9.249 9.249 8.399 0.850 18484 5258 1 12 . 1 1 74 74 HIS N N 74 125.685 125.685 127.082 -1.397 18484 5259 1 12 . 1 1 74 74 HIS HA H 74 5.153 5.153 4.563 0.590 18484 5260 1 12 . 1 1 74 74 HIS CA C 74 54.487 54.487 55.595 -1.108 18484 5261 1 12 . 1 1 74 74 HIS CB C 74 32.997 32.997 31.187 1.810 18484 5262 1 12 . 1 1 74 74 HIS H H 74 9.056 9.056 8.537 0.519 18484 5263 1 12 . 1 1 75 75 TYR N N 75 123.688 123.688 125.236 -1.548 18484 5264 1 12 . 1 1 75 75 TYR HA H 75 4.868 4.868 4.811 0.057 18484 5265 1 12 . 1 1 75 75 TYR CA C 75 56.499 56.499 54.682 1.817 18484 5266 1 12 . 1 1 75 75 TYR CB C 75 38.425 38.425 36.298 2.127 18484 5267 1 12 . 1 1 75 75 TYR H H 75 8.945 8.945 7.653 1.292 18484 5268 1 12 . 1 1 76 76 ILE N N 76 125.717 125.717 123.553 2.164 18484 5269 1 12 . 1 1 76 76 ILE HA H 76 4.800 4.800 4.319 0.481 18484 5270 1 12 . 1 1 76 76 ILE CA C 76 58.787 58.787 60.166 -1.379 18484 5271 1 12 . 1 1 76 76 ILE CB C 76 42.034 42.034 39.520 2.514 18484 5272 1 12 . 1 1 76 76 ILE H H 76 9.079 9.079 8.019 1.060 18484 5273 1 12 . 1 1 77 77 SER N N 77 120.473 120.473 118.738 1.735 18484 5274 1 12 . 1 1 77 77 SER HA H 77 5.183 5.183 4.841 0.342 18484 5275 1 12 . 1 1 77 77 SER CA C 77 55.930 55.930 57.392 -1.462 18484 5276 1 12 . 1 1 77 77 SER CB C 77 63.118 63.118 63.825 -0.707 18484 5277 1 12 . 1 1 77 77 SER H H 77 9.047 9.047 8.025 1.022 18484 5278 1 12 . 1 1 78 78 VAL N N 78 128.488 128.488 124.262 4.226 18484 5279 1 12 . 1 1 78 78 VAL HA H 78 4.729 4.729 4.388 0.341 18484 5280 1 12 . 1 1 78 78 VAL CA C 78 60.517 60.517 61.379 -0.862 18484 5281 1 12 . 1 1 78 78 VAL CB C 78 33.685 33.685 31.019 2.666 18484 5282 1 12 . 1 1 78 78 VAL H H 78 9.301 9.301 8.113 1.188 18484 5283 1 12 . 1 1 79 79 LEU N N 79 129.698 129.698 128.680 1.018 18484 5284 1 12 . 1 1 79 79 LEU HA H 79 4.783 4.783 4.787 -0.004 18484 5285 1 12 . 1 1 79 79 LEU CA C 79 53.873 53.873 53.158 0.715 18484 5286 1 12 . 1 1 79 79 LEU CB C 79 45.605 45.605 44.029 1.576 18484 5287 1 12 . 1 1 79 79 LEU H H 79 8.553 8.553 7.863 0.690 18484 5288 1 12 . 1 1 80 80 THR N N 80 123.276 123.276 123.515 -0.239 18484 5289 1 12 . 1 1 80 80 THR HA H 80 5.096 5.096 4.511 0.585 18484 5290 1 12 . 1 1 80 80 THR CA C 80 60.231 60.231 63.033 -2.802 18484 5291 1 12 . 1 1 80 80 THR CB C 80 68.171 68.171 69.262 -1.091 18484 5292 1 12 . 1 1 80 80 THR H H 80 8.754 8.754 8.711 0.043 18484 5293 1 12 . 1 1 81 81 GLU N N 81 125.405 125.405 126.899 -1.494 18484 5294 1 12 . 1 1 81 81 GLU HA H 81 4.530 4.530 4.439 0.091 18484 5295 1 12 . 1 1 81 81 GLU CA C 81 55.372 55.372 55.215 0.157 18484 5296 1 12 . 1 1 81 81 GLU CB C 81 32.374 32.374 30.931 1.443 18484 5297 1 12 . 1 1 81 81 GLU H H 81 8.615 8.615 8.847 -0.232 18484 5298 1 12 . 1 1 82 82 ASN N N 82 124.375 124.375 120.404 3.971 18484 5299 1 12 . 1 1 82 82 ASN HA H 82 4.360 4.360 4.453 -0.093 18484 5300 1 12 . 1 1 82 82 ASN CA C 82 54.328 54.328 53.697 0.631 18484 5301 1 12 . 1 1 82 82 ASN CB C 82 37.432 37.432 38.091 -0.659 18484 5302 1 12 . 1 1 82 82 ASN H H 82 9.559 9.559 8.834 0.725 18484 5303 1 12 . 1 1 83 83 GLY N N 83 103.733 103.733 104.997 -1.264 18484 5304 1 12 . 1 1 83 83 GLY CA C 83 45.359 45.359 45.088 0.271 18484 5305 1 12 . 1 1 83 83 GLY H H 83 8.626 8.626 8.139 0.487 18484 5306 1 12 . 1 1 84 84 LYS N N 84 121.407 121.407 119.243 2.164 18484 5307 1 12 . 1 1 84 84 LYS HA H 84 4.698 4.698 4.524 0.174 18484 5308 1 12 . 1 1 84 84 LYS CA C 84 55.182 55.182 55.659 -0.477 18484 5309 1 12 . 1 1 84 84 LYS CB C 84 34.807 34.807 35.477 -0.670 18484 5310 1 12 . 1 1 84 84 LYS H H 84 7.813 7.813 7.779 0.034 18484 5311 1 12 . 1 1 85 85 THR N N 85 121.799 121.799 122.481 -0.682 18484 5312 1 12 . 1 1 85 85 THR HA H 85 5.194 5.194 4.721 0.473 18484 5313 1 12 . 1 1 85 85 THR CA C 85 60.472 60.472 61.602 -1.130 18484 5314 1 12 . 1 1 85 85 THR CB C 85 69.134 69.134 68.931 0.203 18484 5315 1 12 . 1 1 85 85 THR H H 85 8.796 8.796 8.465 0.331 18484 5316 1 12 . 1 1 86 86 THR N N 86 122.071 122.071 121.959 0.112 18484 5317 1 12 . 1 1 86 86 THR HA H 86 4.535 4.535 4.609 -0.074 18484 5318 1 12 . 1 1 86 86 THR CA C 86 59.990 59.990 61.008 -1.018 18484 5319 1 12 . 1 1 86 86 THR CB C 86 69.856 69.856 70.417 -0.561 18484 5320 1 12 . 1 1 86 86 THR H H 86 9.134 9.134 8.244 0.890 18484 5321 1 12 . 1 1 87 87 GLU N N 87 126.429 126.429 122.942 3.487 18484 5322 1 12 . 1 1 87 87 GLU HA H 87 5.030 5.030 4.608 0.422 18484 5323 1 12 . 1 1 87 87 GLU CA C 87 55.029 55.029 54.948 0.081 18484 5324 1 12 . 1 1 87 87 GLU CB C 87 31.746 31.746 29.908 1.838 18484 5325 1 12 . 1 1 87 87 GLU H H 87 8.905 8.905 8.578 0.327 18484 5326 1 12 . 1 1 88 88 THR N N 88 120.353 120.353 119.080 1.273 18484 5327 1 12 . 1 1 88 88 THR HA H 88 4.450 4.450 4.471 -0.021 18484 5328 1 12 . 1 1 88 88 THR CA C 88 60.472 60.472 60.421 0.051 18484 5329 1 12 . 1 1 88 88 THR CB C 88 70.646 70.646 70.183 0.463 18484 5330 1 12 . 1 1 88 88 THR H H 88 9.016 9.016 8.461 0.555 18484 5331 1 12 . 1 1 89 89 VAL N N 89 128.484 128.484 128.283 0.201 18484 5332 1 12 . 1 1 89 89 VAL HA H 89 3.978 3.978 3.989 -0.011 18484 5333 1 12 . 1 1 89 89 VAL CA C 89 62.471 62.471 63.731 -1.260 18484 5334 1 12 . 1 1 89 89 VAL CB C 89 31.216 31.216 32.439 -1.223 18484 5335 1 12 . 1 1 89 89 VAL H H 89 9.054 9.054 8.959 0.095 18484 5336 1 12 . 1 1 90 90 LEU N N 90 130.587 130.587 128.291 2.296 18484 5337 1 12 . 1 1 90 90 LEU HA H 90 4.325 4.325 4.554 -0.229 18484 5338 1 12 . 1 1 90 90 LEU CA C 90 56.129 56.129 55.041 1.087 18484 5339 1 12 . 1 1 90 90 LEU CB C 90 42.958 42.958 42.997 -0.039 18484 5340 1 12 . 1 1 90 90 LEU H H 90 9.426 9.426 8.462 0.964 18484 5341 1 12 . 1 1 91 91 ASP N N 91 114.928 114.928 119.046 -4.118 18484 5342 1 12 . 1 1 91 91 ASP HA H 91 4.846 4.846 4.789 0.057 18484 5343 1 12 . 1 1 91 91 ASP CA C 91 53.688 53.688 53.416 0.272 18484 5344 1 12 . 1 1 91 91 ASP CB C 91 43.521 43.521 43.548 -0.027 18484 5345 1 12 . 1 1 91 91 ASP H H 91 7.924 7.924 7.776 0.148 18484 5346 1 12 . 1 1 92 92 SER N N 92 117.203 117.203 116.919 0.284 18484 5347 1 12 . 1 1 92 92 SER HA H 92 5.519 5.519 2.544 2.975 18484 5348 1 12 . 1 1 92 92 SER CA C 92 56.622 56.622 56.200 0.422 18484 5349 1 12 . 1 1 92 92 SER CB C 92 63.359 63.359 65.226 -1.867 18484 5350 1 12 . 1 1 92 92 SER H H 92 8.376 8.376 8.082 0.294 18484 5351 1 12 . 1 1 93 93 GLN N N 93 122.058 122.058 117.814 4.244 18484 5352 1 12 . 1 1 93 93 GLN HA H 93 4.731 4.731 4.660 0.071 18484 5353 1 12 . 1 1 93 93 GLN CA C 93 54.781 54.781 54.289 0.492 18484 5354 1 12 . 1 1 93 93 GLN CB C 93 33.312 33.312 32.425 0.887 18484 5355 1 12 . 1 1 93 93 GLN H H 93 9.005 9.005 7.734 1.271 18484 5356 1 12 . 1 1 94 94 VAL N N 94 125.231 125.231 117.148 8.083 18484 5357 1 12 . 1 1 94 94 VAL HA H 94 4.233 4.233 4.334 -0.101 18484 5358 1 12 . 1 1 94 94 VAL CA C 94 63.282 63.282 61.548 1.734 18484 5359 1 12 . 1 1 94 94 VAL CB C 94 30.906 30.906 31.064 -0.158 18484 5360 1 12 . 1 1 94 94 VAL H H 94 9.085 9.085 8.408 0.677 18484 5361 1 12 . 1 1 95 95 THR N N 95 121.170 121.170 120.290 0.880 18484 5362 1 12 . 1 1 95 95 THR HA H 95 4.384 4.384 4.579 -0.195 18484 5363 1 12 . 1 1 95 95 THR CA C 95 60.953 60.953 61.012 -0.059 18484 5364 1 12 . 1 1 95 95 THR CB C 95 68.653 68.653 68.388 0.265 18484 5365 1 12 . 1 1 95 95 THR H H 95 8.521 8.521 8.228 0.293 18484 5366 1 12 . 1 1 96 96 LYS N N 96 123.236 123.236 121.852 1.384 18484 5367 1 12 . 1 1 96 96 LYS HA H 96 4.418 4.418 4.163 0.255 18484 5368 1 12 . 1 1 96 96 LYS CA C 96 56.418 56.418 57.368 -0.950 18484 5369 1 12 . 1 1 96 96 LYS CB C 96 35.690 35.690 32.798 2.892 18484 5370 1 12 . 1 1 96 96 LYS H H 96 7.912 7.912 8.303 -0.391 18484 5371 1 12 . 1 1 97 97 GLU N N 97 125.835 125.835 121.401 4.434 18484 5372 1 12 . 1 1 97 97 GLU HA H 97 4.151 4.151 4.000 0.151 18484 5373 1 12 . 1 1 97 97 GLU CA C 97 56.412 56.412 56.983 -0.571 18484 5374 1 12 . 1 1 97 97 GLU CB C 97 29.948 29.948 29.810 0.138 18484 5375 1 12 . 1 1 97 97 GLU H H 97 8.665 8.665 7.927 0.738 18484 5376 1 12 . 1 1 98 98 VAL N N 98 122.204 122.204 124.332 -2.128 18484 5377 1 12 . 1 1 98 98 VAL HA H 98 3.915 3.915 4.327 -0.412 18484 5378 1 12 . 1 1 98 98 VAL CA C 98 60.208 60.208 62.085 -1.877 18484 5379 1 12 . 1 1 98 98 VAL CB C 98 33.692 33.692 32.409 1.283 18484 5380 1 12 . 1 1 98 98 VAL H H 98 8.339 8.339 8.237 0.102 18484 5381 1 12 . 1 1 99 99 ILE N N 99 127.874 127.874 129.251 -1.377 18484 5382 1 12 . 1 1 99 99 ILE HA H 99 4.197 4.197 3.994 0.203 18484 5383 1 12 . 1 1 99 99 ILE CA C 99 60.606 60.606 62.032 -1.426 18484 5384 1 12 . 1 1 99 99 ILE CB C 99 39.186 39.186 38.470 0.716 18484 5385 1 12 . 1 1 99 99 ILE H H 99 8.608 8.608 7.841 0.767 18484 5386 1 12 . 1 1 100 100 ASN N N 100 123.343 123.343 125.037 -1.694 18484 5387 1 12 . 1 1 100 100 ASN HA H 100 4.914 4.914 4.796 0.118 18484 5388 1 12 . 1 1 100 100 ASN CA C 100 53.704 53.704 52.532 1.172 18484 5389 1 12 . 1 1 100 100 ASN CB C 100 37.731 37.731 39.495 -1.764 18484 5390 1 12 . 1 1 100 100 ASN H H 100 8.446 8.446 8.437 0.009 18484 5391 1 12 . 1 1 101 101 GLN N N 101 120.980 120.980 123.087 -2.107 18484 5392 1 12 . 1 1 101 101 GLN HA H 101 4.325 4.325 4.266 0.059 18484 5393 1 12 . 1 1 101 101 GLN CA C 101 54.659 54.659 55.999 -1.340 18484 5394 1 12 . 1 1 101 101 GLN CB C 101 31.616 31.616 28.514 3.102 18484 5395 1 12 . 1 1 101 101 GLN H H 101 8.254 8.254 8.603 -0.349 18484 5396 1 12 . 1 1 102 102 VAL N N 102 127.057 127.057 127.690 -0.633 18484 5397 1 12 . 1 1 102 102 VAL HA H 102 4.965 4.965 4.100 0.865 18484 5398 1 12 . 1 1 102 102 VAL CA C 102 60.264 60.264 61.976 -1.712 18484 5399 1 12 . 1 1 102 102 VAL CB C 102 33.626 33.626 30.782 2.844 18484 5400 1 12 . 1 1 102 102 VAL H H 102 8.742 8.742 9.012 -0.270 18484 5401 1 12 . 1 1 103 103 VAL N N 103 127.794 127.794 127.948 -0.154 18484 5402 1 12 . 1 1 103 103 VAL HA H 103 4.812 4.812 4.981 -0.169 18484 5403 1 12 . 1 1 103 103 VAL CA C 103 58.547 58.547 60.692 -2.145 18484 5404 1 12 . 1 1 103 103 VAL CB C 103 35.718 35.718 33.092 2.626 18484 5405 1 12 . 1 1 103 103 VAL H H 103 9.160 9.160 7.901 1.259 18484 5406 1 12 . 1 1 104 104 GLU N N 104 125.160 125.160 128.317 -3.157 18484 5407 1 12 . 1 1 104 104 GLU HA H 104 5.513 5.513 4.716 0.797 18484 5408 1 12 . 1 1 104 104 GLU CA C 104 53.721 53.721 55.272 -1.551 18484 5409 1 12 . 1 1 104 104 GLU CB C 104 32.383 32.383 30.570 1.813 18484 5410 1 12 . 1 1 104 104 GLU H H 104 9.085 9.085 8.700 0.385 18484 5411 1 12 . 1 1 105 105 VAL N N 105 117.602 117.602 125.735 -8.133 18484 5412 1 12 . 1 1 105 105 VAL HA H 105 5.241 5.241 4.860 0.381 18484 5413 1 12 . 1 1 105 105 VAL CA C 105 57.055 57.055 59.756 -2.701 18484 5414 1 12 . 1 1 105 105 VAL CB C 105 35.204 35.204 35.478 -0.274 18484 5415 1 12 . 1 1 105 105 VAL H H 105 8.536 8.536 8.497 0.039 18484 5416 1 12 . 1 1 106 106 GLY N N 106 111.023 111.023 113.544 -2.521 18484 5417 1 12 . 1 1 106 106 GLY CA C 106 46.117 46.117 43.773 2.344 18484 5418 1 12 . 1 1 106 106 GLY H H 106 8.635 8.635 8.695 -0.060 18484 5419 1 12 . 1 1 107 107 ALA N N 107 127.369 127.369 127.148 0.221 18484 5420 1 12 . 1 1 107 107 ALA HA H 107 4.515 4.515 4.315 0.200 18484 5421 1 12 . 1 1 107 107 ALA CA C 107 50.477 50.477 50.686 -0.209 18484 5422 1 12 . 1 1 107 107 ALA CB C 107 19.924 19.924 17.981 1.943 18484 5423 1 12 . 1 1 107 107 ALA H H 107 7.929 7.929 7.909 0.020 18484 5424 1 12 . 1 1 108 108 PRO HA H 108 4.494 4.494 4.398 0.096 18484 5425 1 12 . 1 1 108 108 PRO CA C 108 61.698 61.698 65.108 -3.409 18484 5426 1 12 . 1 1 108 108 PRO CB C 108 31.900 31.900 31.965 -0.065 18484 5427 1 12 . 1 1 109 109 VAL N N 109 119.821 119.821 112.956 6.865 18484 5428 1 12 . 1 1 109 109 VAL HA H 109 4.092 4.092 4.423 -0.331 18484 5429 1 12 . 1 1 109 109 VAL CA C 109 60.949 60.949 60.666 0.283 18484 5430 1 12 . 1 1 109 109 VAL CB C 109 32.389 32.389 33.152 -0.763 18484 5431 1 12 . 1 1 109 109 VAL H H 109 8.303 8.303 7.466 0.837 18484 5432 1 12 . 1 1 110 110 THR N N 110 118.171 118.171 113.078 5.093 18484 5433 1 12 . 1 1 110 110 THR HA H 110 4.338 4.338 4.632 -0.294 18484 5434 1 12 . 1 1 110 110 THR CA C 110 59.028 59.028 62.074 -3.046 18484 5435 1 12 . 1 1 110 110 THR CB C 110 67.676 67.676 69.419 -1.744 18484 5436 1 12 . 1 1 110 110 THR H H 110 8.209 8.209 8.133 0.076 18484 5437 1 13 . 1 1 2 2 GLY N N 2 110.403 110.403 107.824 2.579 18484 5438 1 13 . 1 1 2 2 GLY H H 2 8.459 8.459 8.338 0.121 18484 5439 1 13 . 1 1 10 10 SER HA H 10 4.435 4.435 4.232 0.203 18484 5440 1 13 . 1 1 11 11 SER CA C 11 57.649 57.649 58.909 -1.260 18484 5441 1 13 . 1 1 11 11 SER CB C 11 62.672 62.672 63.921 -1.249 18484 5442 1 13 . 1 1 12 12 GLY N N 12 110.471 110.471 108.974 1.497 18484 5443 1 13 . 1 1 12 12 GLY CA C 12 45.312 45.312 44.352 0.959 18484 5444 1 13 . 1 1 12 12 GLY H H 12 8.365 8.365 8.490 -0.125 18484 5445 1 13 . 1 1 13 13 LEU N N 13 121.432 121.432 120.304 1.128 18484 5446 1 13 . 1 1 13 13 LEU HA H 13 4.327 4.327 4.018 0.309 18484 5447 1 13 . 1 1 13 13 LEU CA C 13 55.573 55.573 54.689 0.884 18484 5448 1 13 . 1 1 13 13 LEU CB C 13 42.428 42.428 42.588 -0.160 18484 5449 1 13 . 1 1 13 13 LEU H H 13 8.024 8.024 7.539 0.485 18484 5450 1 13 . 1 1 14 14 VAL N N 14 122.309 122.309 115.551 6.758 18484 5451 1 13 . 1 1 14 14 VAL H H 14 8.062 8.062 8.406 -0.344 18484 5452 1 13 . 1 1 16 16 ARG N N 16 121.951 121.951 121.991 -0.040 18484 5453 1 13 . 1 1 16 16 ARG HA H 16 4.312 4.312 3.974 0.338 18484 5454 1 13 . 1 1 16 16 ARG CA C 16 56.102 56.102 56.896 -0.794 18484 5455 1 13 . 1 1 16 16 ARG CB C 16 30.891 30.891 30.138 0.753 18484 5456 1 13 . 1 1 16 16 ARG H H 16 8.465 8.465 8.433 0.032 18484 5457 1 13 . 1 1 20 20 MET HA H 20 4.435 4.435 4.689 -0.254 18484 5458 1 13 . 1 1 20 20 MET CA C 20 55.500 55.500 54.881 0.619 18484 5459 1 13 . 1 1 20 20 MET CB C 20 32.070 32.070 33.528 -1.458 18484 5460 1 13 . 1 1 21 21 SER N N 21 117.005 117.005 116.709 0.296 18484 5461 1 13 . 1 1 21 21 SER HA H 21 4.435 4.435 4.356 0.079 18484 5462 1 13 . 1 1 21 21 SER CA C 21 57.066 57.066 58.895 -1.829 18484 5463 1 13 . 1 1 21 21 SER CB C 21 62.566 62.566 62.833 -0.267 18484 5464 1 13 . 1 1 21 21 SER H H 21 8.332 8.332 8.077 0.255 18484 5465 1 13 . 1 1 22 22 LEU N N 22 124.083 124.083 118.607 5.476 18484 5466 1 13 . 1 1 22 22 LEU HA H 22 4.348 4.348 4.781 -0.433 18484 5467 1 13 . 1 1 22 22 LEU CA C 22 55.471 55.471 54.452 1.019 18484 5468 1 13 . 1 1 22 22 LEU CB C 22 42.322 42.322 42.438 -0.116 18484 5469 1 13 . 1 1 22 22 LEU H H 22 8.340 8.340 7.998 0.342 18484 5470 1 13 . 1 1 23 23 ASP N N 23 120.867 120.867 120.602 0.265 18484 5471 1 13 . 1 1 23 23 ASP HA H 23 4.566 4.566 5.159 -0.593 18484 5472 1 13 . 1 1 23 23 ASP CA C 23 54.687 54.687 53.992 0.695 18484 5473 1 13 . 1 1 23 23 ASP CB C 23 41.553 41.553 43.439 -1.886 18484 5474 1 13 . 1 1 23 23 ASP H H 23 8.312 8.312 8.494 -0.182 18484 5475 1 13 . 1 1 24 24 GLU N N 24 121.470 121.470 119.449 2.021 18484 5476 1 13 . 1 1 24 24 GLU HA H 24 4.566 4.566 4.256 0.310 18484 5477 1 13 . 1 1 24 24 GLU CA C 24 56.921 56.921 56.115 0.806 18484 5478 1 13 . 1 1 24 24 GLU CB C 24 30.015 30.015 30.644 -0.629 18484 5479 1 13 . 1 1 24 24 GLU H H 24 8.411 8.411 7.941 0.470 18484 5480 1 13 . 1 1 25 25 ASN N N 25 118.582 118.582 118.723 -0.141 18484 5481 1 13 . 1 1 25 25 ASN HA H 25 4.707 4.707 4.366 0.341 18484 5482 1 13 . 1 1 25 25 ASN CA C 25 53.593 53.593 53.636 -0.043 18484 5483 1 13 . 1 1 25 25 ASN CB C 25 39.188 39.188 38.245 0.943 18484 5484 1 13 . 1 1 25 25 ASN H H 25 8.436 8.436 8.631 -0.195 18484 5485 1 13 . 1 1 26 26 GLU N N 26 121.262 121.262 117.538 3.724 18484 5486 1 13 . 1 1 26 26 GLU HA H 26 4.247 4.247 4.174 0.073 18484 5487 1 13 . 1 1 26 26 GLU CA C 26 56.310 56.310 57.066 -0.756 18484 5488 1 13 . 1 1 26 26 GLU CB C 26 30.342 30.342 29.627 0.715 18484 5489 1 13 . 1 1 26 26 GLU H H 26 8.196 8.196 8.116 0.080 18484 5490 1 13 . 1 1 27 27 VAL N N 27 121.381 121.381 119.573 1.808 18484 5491 1 13 . 1 1 27 27 VAL HA H 27 4.036 4.036 4.282 -0.246 18484 5492 1 13 . 1 1 27 27 VAL CA C 27 62.396 62.396 61.027 1.369 18484 5493 1 13 . 1 1 27 27 VAL CB C 27 32.770 32.770 33.802 -1.032 18484 5494 1 13 . 1 1 27 27 VAL H H 27 8.092 8.092 7.827 0.265 18484 5495 1 13 . 1 1 28 28 ALA N N 28 127.549 127.549 123.947 3.602 18484 5496 1 13 . 1 1 28 28 ALA HA H 28 4.300 4.300 4.615 -0.315 18484 5497 1 13 . 1 1 28 28 ALA CA C 28 52.388 52.388 52.196 0.192 18484 5498 1 13 . 1 1 28 28 ALA CB C 28 20.383 20.383 19.328 1.055 18484 5499 1 13 . 1 1 28 28 ALA H H 28 8.280 8.280 8.419 -0.139 18484 5500 1 13 . 1 1 29 29 ALA N N 29 122.963 122.963 124.607 -1.644 18484 5501 1 13 . 1 1 29 29 ALA HA H 29 4.257 4.257 4.747 -0.490 18484 5502 1 13 . 1 1 29 29 ALA CA C 29 52.737 52.737 51.706 1.031 18484 5503 1 13 . 1 1 29 29 ALA CB C 29 20.585 20.585 20.699 -0.114 18484 5504 1 13 . 1 1 29 29 ALA H H 29 8.182 8.182 8.525 -0.343 18484 5505 1 13 . 1 1 30 30 ASN N N 30 117.863 117.863 117.502 0.361 18484 5506 1 13 . 1 1 30 30 ASN HA H 30 4.697 4.697 4.860 -0.163 18484 5507 1 13 . 1 1 30 30 ASN CA C 30 53.107 53.107 53.538 -0.430 18484 5508 1 13 . 1 1 30 30 ASN CB C 30 38.876 38.876 39.350 -0.474 18484 5509 1 13 . 1 1 30 30 ASN H H 30 8.323 8.323 8.633 -0.310 18484 5510 1 13 . 1 1 31 31 VAL N N 31 120.074 120.074 117.992 2.082 18484 5511 1 13 . 1 1 31 31 VAL HA H 31 4.131 4.131 4.411 -0.280 18484 5512 1 13 . 1 1 31 31 VAL CA C 31 60.983 60.983 61.819 -0.836 18484 5513 1 13 . 1 1 31 31 VAL CB C 31 32.827 32.827 33.786 -0.959 18484 5514 1 13 . 1 1 31 31 VAL H H 31 8.041 8.041 7.799 0.242 18484 5515 1 13 . 1 1 32 32 GLU N N 32 124.378 124.378 126.677 -2.299 18484 5516 1 13 . 1 1 32 32 GLU HA H 32 4.339 4.339 4.079 0.260 18484 5517 1 13 . 1 1 32 32 GLU CA C 32 56.728 56.728 57.324 -0.596 18484 5518 1 13 . 1 1 32 32 GLU CB C 32 30.439 30.439 29.233 1.206 18484 5519 1 13 . 1 1 32 32 GLU H H 32 8.487 8.487 8.787 -0.300 18484 5520 1 13 . 1 1 33 33 THR N N 33 116.772 116.772 114.229 2.543 18484 5521 1 13 . 1 1 33 33 THR HA H 33 4.312 4.312 3.942 0.370 18484 5522 1 13 . 1 1 33 33 THR CA C 33 60.472 60.472 62.406 -1.934 18484 5523 1 13 . 1 1 33 33 THR CB C 33 68.412 68.412 68.069 0.343 18484 5524 1 13 . 1 1 33 33 THR H H 33 8.224 8.224 8.043 0.181 18484 5525 1 13 . 1 1 34 34 ARG N N 34 124.955 124.955 122.285 2.670 18484 5526 1 13 . 1 1 34 34 ARG HA H 34 4.732 4.732 4.292 0.440 18484 5527 1 13 . 1 1 34 34 ARG CA C 34 53.635 53.635 55.674 -2.039 18484 5528 1 13 . 1 1 34 34 ARG CB C 34 30.581 30.581 30.245 0.336 18484 5529 1 13 . 1 1 34 34 ARG H H 34 8.438 8.438 8.049 0.389 18484 5530 1 13 . 1 1 35 35 PRO HA H 35 4.667 4.667 4.428 0.239 18484 5531 1 13 . 1 1 35 35 PRO CA C 35 61.995 61.995 62.464 -0.469 18484 5532 1 13 . 1 1 35 35 PRO CB C 35 32.459 32.459 32.646 -0.187 18484 5533 1 13 . 1 1 36 36 GLU N N 36 121.398 121.398 119.736 1.662 18484 5534 1 13 . 1 1 36 36 GLU HA H 36 4.509 4.509 4.386 0.123 18484 5535 1 13 . 1 1 36 36 GLU CA C 36 55.563 55.563 55.696 -0.133 18484 5536 1 13 . 1 1 36 36 GLU CB C 36 31.628 31.628 29.575 2.053 18484 5537 1 13 . 1 1 36 36 GLU H H 36 8.663 8.663 8.533 0.130 18484 5538 1 13 . 1 1 37 37 LEU N N 37 125.233 125.233 127.214 -1.981 18484 5539 1 13 . 1 1 37 37 LEU HA H 37 5.240 5.240 4.343 0.897 18484 5540 1 13 . 1 1 37 37 LEU CA C 37 54.120 54.120 55.113 -0.993 18484 5541 1 13 . 1 1 37 37 LEU CB C 37 42.407 42.407 41.459 0.948 18484 5542 1 13 . 1 1 37 37 LEU H H 37 8.352 8.352 8.577 -0.225 18484 5543 1 13 . 1 1 38 38 ILE N N 38 121.904 121.904 123.226 -1.322 18484 5544 1 13 . 1 1 38 38 ILE HA H 38 4.775 4.775 4.788 -0.013 18484 5545 1 13 . 1 1 38 38 ILE CA C 38 58.065 58.065 59.619 -1.554 18484 5546 1 13 . 1 1 38 38 ILE CB C 38 41.790 41.790 39.728 2.062 18484 5547 1 13 . 1 1 38 38 ILE H H 38 9.224 9.224 8.629 0.595 18484 5548 1 13 . 1 1 39 39 THR N N 39 111.692 111.692 110.971 0.721 18484 5549 1 13 . 1 1 39 39 THR HA H 39 5.443 5.443 5.000 0.443 18484 5550 1 13 . 1 1 39 39 THR CA C 39 57.825 57.825 61.104 -3.279 18484 5551 1 13 . 1 1 39 39 THR CB C 39 70.337 70.337 70.906 -0.569 18484 5552 1 13 . 1 1 39 39 THR H H 39 8.077 8.077 8.234 -0.157 18484 5553 1 13 . 1 1 40 40 ARG N N 40 121.666 121.666 123.968 -2.302 18484 5554 1 13 . 1 1 40 40 ARG HA H 40 4.707 4.707 4.619 0.088 18484 5555 1 13 . 1 1 40 40 ARG CA C 40 55.674 55.674 55.830 -0.156 18484 5556 1 13 . 1 1 40 40 ARG CB C 40 34.932 34.932 32.946 1.986 18484 5557 1 13 . 1 1 40 40 ARG H H 40 8.558 8.558 9.051 -0.493 18484 5558 1 13 . 1 1 41 41 THR N N 41 115.335 115.335 121.783 -6.448 18484 5559 1 13 . 1 1 41 41 THR HA H 41 5.345 5.345 5.017 0.328 18484 5560 1 13 . 1 1 41 41 THR CA C 41 59.028 59.028 61.648 -2.620 18484 5561 1 13 . 1 1 41 41 THR CB C 41 70.332 70.332 70.010 0.322 18484 5562 1 13 . 1 1 41 41 THR H H 41 8.532 8.532 8.606 -0.074 18484 5563 1 13 . 1 1 42 42 GLU N N 42 122.278 122.278 128.241 -5.963 18484 5564 1 13 . 1 1 42 42 GLU HA H 42 4.705 4.705 4.421 0.284 18484 5565 1 13 . 1 1 42 42 GLU CA C 42 54.318 54.318 54.948 -0.630 18484 5566 1 13 . 1 1 42 42 GLU CB C 42 33.984 33.984 31.194 2.790 18484 5567 1 13 . 1 1 42 42 GLU H H 42 9.049 9.049 8.434 0.615 18484 5568 1 13 . 1 1 43 43 GLU N N 43 122.782 122.782 122.826 -0.044 18484 5569 1 13 . 1 1 43 43 GLU HA H 43 4.659 4.659 4.177 0.482 18484 5570 1 13 . 1 1 43 43 GLU CA C 43 56.074 56.074 57.359 -1.285 18484 5571 1 13 . 1 1 43 43 GLU CB C 43 31.559 31.559 29.113 2.446 18484 5572 1 13 . 1 1 43 43 GLU H H 43 8.722 8.722 8.615 0.107 18484 5573 1 13 . 1 1 44 44 ILE N N 44 123.255 123.255 126.764 -3.509 18484 5574 1 13 . 1 1 44 44 ILE HA H 44 4.557 4.557 4.388 0.169 18484 5575 1 13 . 1 1 44 44 ILE CA C 44 55.622 55.622 58.293 -2.671 18484 5576 1 13 . 1 1 44 44 ILE CB C 44 40.902 40.902 38.724 2.178 18484 5577 1 13 . 1 1 44 44 ILE H H 44 7.740 7.740 7.783 -0.043 18484 5578 1 13 . 1 1 45 45 PRO HA H 45 4.177 4.177 4.663 -0.486 18484 5579 1 13 . 1 1 45 45 PRO CA C 45 61.978 61.978 61.811 0.167 18484 5580 1 13 . 1 1 45 45 PRO CB C 45 32.314 32.314 32.584 -0.270 18484 5581 1 13 . 1 1 46 46 PHE N N 46 114.670 114.670 118.438 -3.768 18484 5582 1 13 . 1 1 46 46 PHE HA H 46 4.913 4.913 4.708 0.204 18484 5583 1 13 . 1 1 46 46 PHE CA C 46 54.749 54.749 56.074 -1.325 18484 5584 1 13 . 1 1 46 46 PHE CB C 46 42.057 42.057 40.469 1.588 18484 5585 1 13 . 1 1 46 46 PHE H H 46 6.912 6.912 8.166 -1.254 18484 5586 1 13 . 1 1 47 47 GLU N N 47 120.217 120.217 118.653 1.564 18484 5587 1 13 . 1 1 47 47 GLU HA H 47 4.600 4.600 4.361 0.239 18484 5588 1 13 . 1 1 47 47 GLU CA C 47 54.771 54.771 55.762 -0.991 18484 5589 1 13 . 1 1 47 47 GLU CB C 47 32.338 32.338 32.650 -0.312 18484 5590 1 13 . 1 1 47 47 GLU H H 47 8.271 8.271 8.578 -0.307 18484 5591 1 13 . 1 1 48 48 VAL N N 48 121.331 121.331 123.017 -1.686 18484 5592 1 13 . 1 1 48 48 VAL HA H 48 4.734 4.734 4.277 0.458 18484 5593 1 13 . 1 1 48 48 VAL CA C 48 61.472 61.472 63.000 -1.528 18484 5594 1 13 . 1 1 48 48 VAL CB C 48 32.699 32.699 32.517 0.182 18484 5595 1 13 . 1 1 48 48 VAL H H 48 8.625 8.625 8.454 0.171 18484 5596 1 13 . 1 1 49 49 ILE N N 49 132.310 132.310 125.570 6.740 18484 5597 1 13 . 1 1 49 49 ILE HA H 49 4.205 4.205 4.513 -0.308 18484 5598 1 13 . 1 1 49 49 ILE CA C 49 58.886 58.886 60.227 -1.341 18484 5599 1 13 . 1 1 49 49 ILE CB C 49 39.037 39.037 41.840 -2.803 18484 5600 1 13 . 1 1 49 49 ILE H H 49 9.505 9.505 8.322 1.183 18484 5601 1 13 . 1 1 50 50 LYS N N 50 125.764 125.764 124.391 1.373 18484 5602 1 13 . 1 1 50 50 LYS HA H 50 5.284 5.284 4.489 0.795 18484 5603 1 13 . 1 1 50 50 LYS CA C 50 54.802 54.802 55.384 -0.582 18484 5604 1 13 . 1 1 50 50 LYS CB C 50 34.186 34.186 33.035 1.151 18484 5605 1 13 . 1 1 50 50 LYS H H 50 8.507 8.507 8.406 0.101 18484 5606 1 13 . 1 1 51 51 LYS N N 51 124.935 124.935 125.636 -0.701 18484 5607 1 13 . 1 1 51 51 LYS HA H 51 4.608 4.608 4.587 0.021 18484 5608 1 13 . 1 1 51 51 LYS CA C 51 54.006 54.006 54.681 -0.675 18484 5609 1 13 . 1 1 51 51 LYS CB C 51 34.756 34.756 34.766 -0.010 18484 5610 1 13 . 1 1 51 51 LYS H H 51 9.066 9.066 8.432 0.634 18484 5611 1 13 . 1 1 52 52 GLU N N 52 124.186 124.186 121.135 3.051 18484 5612 1 13 . 1 1 52 52 GLU HA H 52 4.621 4.621 5.144 -0.523 18484 5613 1 13 . 1 1 52 52 GLU CA C 52 55.931 55.931 54.844 1.087 18484 5614 1 13 . 1 1 52 52 GLU CB C 52 31.036 31.036 31.429 -0.393 18484 5615 1 13 . 1 1 52 52 GLU H H 52 8.777 8.777 8.582 0.195 18484 5616 1 13 . 1 1 53 53 ASN N N 53 121.687 121.687 122.946 -1.259 18484 5617 1 13 . 1 1 53 53 ASN HA H 53 5.240 5.240 5.156 0.084 18484 5618 1 13 . 1 1 53 53 ASN CA C 53 49.409 49.409 50.160 -0.751 18484 5619 1 13 . 1 1 53 53 ASN CB C 53 40.473 40.473 39.818 0.655 18484 5620 1 13 . 1 1 53 53 ASN H H 53 8.890 8.890 8.963 -0.073 18484 5621 1 13 . 1 1 54 54 PRO HA H 54 4.587 4.587 4.484 0.103 18484 5622 1 13 . 1 1 54 54 PRO CA C 54 62.650 62.650 64.874 -2.224 18484 5623 1 13 . 1 1 54 54 PRO CB C 54 32.219 32.219 32.399 -0.180 18484 5624 1 13 . 1 1 55 55 ASN N N 55 115.629 115.629 115.255 0.374 18484 5625 1 13 . 1 1 55 55 ASN HA H 55 4.695 4.695 4.504 0.191 18484 5626 1 13 . 1 1 55 55 ASN CA C 55 53.685 53.685 54.006 -0.321 18484 5627 1 13 . 1 1 55 55 ASN CB C 55 39.137 39.137 37.610 1.527 18484 5628 1 13 . 1 1 55 55 ASN H H 55 8.422 8.422 8.216 0.206 18484 5629 1 13 . 1 1 56 56 LEU N N 56 121.277 121.277 121.027 0.250 18484 5630 1 13 . 1 1 56 56 LEU HA H 56 4.686 4.686 4.249 0.437 18484 5631 1 13 . 1 1 56 56 LEU CA C 56 52.145 52.145 53.714 -1.569 18484 5632 1 13 . 1 1 56 56 LEU CB C 56 42.456 42.456 42.052 0.404 18484 5633 1 13 . 1 1 56 56 LEU H H 56 7.278 7.278 7.475 -0.197 18484 5634 1 13 . 1 1 57 57 PRO HA H 57 4.298 4.298 4.477 -0.179 18484 5635 1 13 . 1 1 57 57 PRO CA C 57 61.332 61.332 62.401 -1.069 18484 5636 1 13 . 1 1 57 57 PRO CB C 57 32.232 32.232 31.009 1.223 18484 5637 1 13 . 1 1 58 58 ALA N N 58 123.896 123.896 121.677 2.219 18484 5638 1 13 . 1 1 58 58 ALA HA H 58 3.892 3.892 4.076 -0.184 18484 5639 1 13 . 1 1 58 58 ALA CA C 58 53.559 53.559 52.811 0.748 18484 5640 1 13 . 1 1 58 58 ALA CB C 58 19.480 19.480 18.353 1.127 18484 5641 1 13 . 1 1 58 58 ALA H H 58 8.263 8.263 7.757 0.506 18484 5642 1 13 . 1 1 59 59 GLY N N 59 110.843 110.843 110.404 0.439 18484 5643 1 13 . 1 1 59 59 GLY CA C 59 45.339 45.339 45.626 -0.287 18484 5644 1 13 . 1 1 59 59 GLY H H 59 8.755 8.755 8.453 0.302 18484 5645 1 13 . 1 1 60 60 GLN N N 60 121.444 121.444 118.243 3.201 18484 5646 1 13 . 1 1 60 60 GLN HA H 60 4.251 4.251 4.559 -0.308 18484 5647 1 13 . 1 1 60 60 GLN CA C 60 56.080 56.080 54.788 1.292 18484 5648 1 13 . 1 1 60 60 GLN CB C 60 29.876 29.876 31.424 -1.548 18484 5649 1 13 . 1 1 60 60 GLN H H 60 7.877 7.877 8.034 -0.157 18484 5650 1 13 . 1 1 61 61 GLU N N 61 123.364 123.364 122.890 0.474 18484 5651 1 13 . 1 1 61 61 GLU HA H 61 5.241 5.241 4.616 0.625 18484 5652 1 13 . 1 1 61 61 GLU CA C 61 55.012 55.012 55.792 -0.780 18484 5653 1 13 . 1 1 61 61 GLU CB C 61 32.368 32.368 31.309 1.059 18484 5654 1 13 . 1 1 61 61 GLU H H 61 8.419 8.419 8.581 -0.162 18484 5655 1 13 . 1 1 62 62 ASN N N 62 121.499 121.499 124.411 -2.912 18484 5656 1 13 . 1 1 62 62 ASN HA H 62 5.078 5.078 5.018 0.060 18484 5657 1 13 . 1 1 62 62 ASN CA C 62 51.617 51.617 52.547 -0.930 18484 5658 1 13 . 1 1 62 62 ASN CB C 62 40.999 40.999 40.708 0.291 18484 5659 1 13 . 1 1 62 62 ASN H H 62 9.164 9.164 8.264 0.900 18484 5660 1 13 . 1 1 63 63 ILE N N 63 125.976 125.976 125.586 0.390 18484 5661 1 13 . 1 1 63 63 ILE HA H 63 3.979 3.979 4.417 -0.438 18484 5662 1 13 . 1 1 63 63 ILE CA C 63 61.650 61.650 61.801 -0.151 18484 5663 1 13 . 1 1 63 63 ILE CB C 63 37.404 37.404 38.678 -1.274 18484 5664 1 13 . 1 1 63 63 ILE H H 63 9.032 9.032 8.709 0.323 18484 5665 1 13 . 1 1 64 64 ILE N N 64 130.073 130.073 127.462 2.611 18484 5666 1 13 . 1 1 64 64 ILE HA H 64 4.139 4.139 4.262 -0.123 18484 5667 1 13 . 1 1 64 64 ILE CA C 64 60.699 60.699 62.334 -1.635 18484 5668 1 13 . 1 1 64 64 ILE CB C 64 38.029 38.029 39.306 -1.277 18484 5669 1 13 . 1 1 64 64 ILE H H 64 8.876 8.876 9.053 -0.177 18484 5670 1 13 . 1 1 65 65 THR N N 65 116.771 116.771 116.446 0.325 18484 5671 1 13 . 1 1 65 65 THR HA H 65 4.349 4.349 4.480 -0.131 18484 5672 1 13 . 1 1 65 65 THR CA C 65 60.066 60.066 61.295 -1.229 18484 5673 1 13 . 1 1 65 65 THR CB C 65 71.059 71.059 69.926 1.133 18484 5674 1 13 . 1 1 65 65 THR H H 65 7.699 7.699 7.527 0.172 18484 5675 1 13 . 1 1 66 66 ALA N N 66 130.117 130.117 128.811 1.306 18484 5676 1 13 . 1 1 66 66 ALA HA H 66 3.928 3.928 4.219 -0.291 18484 5677 1 13 . 1 1 66 66 ALA CA C 66 51.617 51.617 52.777 -1.160 18484 5678 1 13 . 1 1 66 66 ALA CB C 66 19.653 19.653 19.292 0.361 18484 5679 1 13 . 1 1 66 66 ALA H H 66 8.579 8.579 8.253 0.326 18484 5680 1 13 . 1 1 67 67 GLY N N 67 107.619 107.619 111.196 -3.577 18484 5681 1 13 . 1 1 67 67 GLY CA C 67 43.606 43.606 44.179 -0.573 18484 5682 1 13 . 1 1 67 67 GLY H H 67 8.387 8.387 8.120 0.267 18484 5683 1 13 . 1 1 68 68 VAL N N 68 123.776 123.776 122.377 1.399 18484 5684 1 13 . 1 1 68 68 VAL HA H 68 4.124 4.124 3.901 0.223 18484 5685 1 13 . 1 1 68 68 VAL CA C 68 60.443 60.443 60.295 0.148 18484 5686 1 13 . 1 1 68 68 VAL CB C 68 34.972 34.972 35.906 -0.934 18484 5687 1 13 . 1 1 68 68 VAL H H 68 8.966 8.966 7.938 1.028 18484 5688 1 13 . 1 1 69 69 LYS N N 69 125.803 125.803 124.627 1.176 18484 5689 1 13 . 1 1 69 69 LYS HA H 69 4.448 4.448 4.419 0.029 18484 5690 1 13 . 1 1 69 69 LYS CA C 69 57.012 57.012 57.221 -0.209 18484 5691 1 13 . 1 1 69 69 LYS CB C 69 33.410 33.410 32.152 1.258 18484 5692 1 13 . 1 1 69 69 LYS H H 69 8.799 8.799 8.697 0.102 18484 5693 1 13 . 1 1 70 70 GLY N N 70 108.188 108.188 114.115 -5.927 18484 5694 1 13 . 1 1 70 70 GLY CA C 70 43.549 43.549 44.825 -1.276 18484 5695 1 13 . 1 1 70 70 GLY H H 70 8.858 8.858 8.194 0.664 18484 5696 1 13 . 1 1 71 71 GLU N N 71 123.030 123.030 118.725 4.305 18484 5697 1 13 . 1 1 71 71 GLU HA H 71 5.059 5.059 4.625 0.434 18484 5698 1 13 . 1 1 71 71 GLU CA C 71 56.146 56.146 56.639 -0.493 18484 5699 1 13 . 1 1 71 71 GLU CB C 71 36.142 36.142 32.018 4.124 18484 5700 1 13 . 1 1 71 71 GLU H H 71 9.538 9.538 8.290 1.248 18484 5701 1 13 . 1 1 72 72 ARG N N 72 126.426 126.426 126.005 0.421 18484 5702 1 13 . 1 1 72 72 ARG HA H 72 5.059 5.059 4.991 0.068 18484 5703 1 13 . 1 1 72 72 ARG CA C 72 54.001 54.001 54.533 -0.533 18484 5704 1 13 . 1 1 72 72 ARG CB C 72 33.500 33.500 32.841 0.659 18484 5705 1 13 . 1 1 72 72 ARG H H 72 9.191 9.191 8.055 1.136 18484 5706 1 13 . 1 1 73 73 THR N N 73 120.983 120.983 123.864 -2.881 18484 5707 1 13 . 1 1 73 73 THR HA H 73 4.522 4.522 4.439 0.083 18484 5708 1 13 . 1 1 73 73 THR CA C 73 60.953 60.953 64.599 -3.646 18484 5709 1 13 . 1 1 73 73 THR CB C 73 68.412 68.412 69.550 -1.138 18484 5710 1 13 . 1 1 73 73 THR H H 73 9.249 9.249 8.346 0.903 18484 5711 1 13 . 1 1 74 74 HIS N N 74 125.685 125.685 124.751 0.934 18484 5712 1 13 . 1 1 74 74 HIS HA H 74 5.153 5.153 4.722 0.431 18484 5713 1 13 . 1 1 74 74 HIS CA C 74 54.487 54.487 55.214 -0.727 18484 5714 1 13 . 1 1 74 74 HIS CB C 74 32.997 32.997 31.383 1.614 18484 5715 1 13 . 1 1 74 74 HIS H H 74 9.056 9.056 8.908 0.148 18484 5716 1 13 . 1 1 75 75 TYR N N 75 123.688 123.688 125.608 -1.920 18484 5717 1 13 . 1 1 75 75 TYR HA H 75 4.868 4.868 4.931 -0.063 18484 5718 1 13 . 1 1 75 75 TYR CA C 75 56.499 56.499 54.420 2.079 18484 5719 1 13 . 1 1 75 75 TYR CB C 75 38.425 38.425 36.806 1.619 18484 5720 1 13 . 1 1 75 75 TYR H H 75 8.945 8.945 7.773 1.172 18484 5721 1 13 . 1 1 76 76 ILE N N 76 125.717 125.717 124.834 0.883 18484 5722 1 13 . 1 1 76 76 ILE HA H 76 4.800 4.800 4.167 0.633 18484 5723 1 13 . 1 1 76 76 ILE CA C 76 58.787 58.787 60.312 -1.525 18484 5724 1 13 . 1 1 76 76 ILE CB C 76 42.034 42.034 39.677 2.357 18484 5725 1 13 . 1 1 76 76 ILE H H 76 9.079 9.079 8.381 0.698 18484 5726 1 13 . 1 1 77 77 SER N N 77 120.473 120.473 119.377 1.096 18484 5727 1 13 . 1 1 77 77 SER HA H 77 5.183 5.183 4.801 0.382 18484 5728 1 13 . 1 1 77 77 SER CA C 77 55.930 55.930 57.596 -1.666 18484 5729 1 13 . 1 1 77 77 SER CB C 77 63.118 63.118 64.129 -1.011 18484 5730 1 13 . 1 1 77 77 SER H H 77 9.047 9.047 8.204 0.843 18484 5731 1 13 . 1 1 78 78 VAL N N 78 128.488 128.488 125.756 2.732 18484 5732 1 13 . 1 1 78 78 VAL HA H 78 4.729 4.729 4.452 0.277 18484 5733 1 13 . 1 1 78 78 VAL CA C 78 60.517 60.517 61.791 -1.274 18484 5734 1 13 . 1 1 78 78 VAL CB C 78 33.685 33.685 31.594 2.091 18484 5735 1 13 . 1 1 78 78 VAL H H 78 9.301 9.301 8.131 1.170 18484 5736 1 13 . 1 1 79 79 LEU N N 79 129.698 129.698 128.383 1.315 18484 5737 1 13 . 1 1 79 79 LEU HA H 79 4.783 4.783 4.773 0.010 18484 5738 1 13 . 1 1 79 79 LEU CA C 79 53.873 53.873 53.483 0.390 18484 5739 1 13 . 1 1 79 79 LEU CB C 79 45.605 45.605 46.539 -0.934 18484 5740 1 13 . 1 1 79 79 LEU H H 79 8.553 8.553 7.766 0.787 18484 5741 1 13 . 1 1 80 80 THR N N 80 123.276 123.276 118.115 5.161 18484 5742 1 13 . 1 1 80 80 THR HA H 80 5.096 5.096 4.745 0.351 18484 5743 1 13 . 1 1 80 80 THR CA C 80 60.231 60.231 61.725 -1.494 18484 5744 1 13 . 1 1 80 80 THR CB C 80 68.171 68.171 68.107 0.064 18484 5745 1 13 . 1 1 80 80 THR H H 80 8.754 8.754 8.464 0.290 18484 5746 1 13 . 1 1 81 81 GLU N N 81 125.405 125.405 126.340 -0.935 18484 5747 1 13 . 1 1 81 81 GLU HA H 81 4.530 4.530 4.489 0.041 18484 5748 1 13 . 1 1 81 81 GLU CA C 81 55.372 55.372 55.535 -0.163 18484 5749 1 13 . 1 1 81 81 GLU CB C 81 32.374 32.374 32.296 0.078 18484 5750 1 13 . 1 1 81 81 GLU H H 81 8.615 8.615 8.921 -0.306 18484 5751 1 13 . 1 1 82 82 ASN N N 82 124.375 124.375 121.733 2.642 18484 5752 1 13 . 1 1 82 82 ASN HA H 82 4.360 4.360 4.454 -0.094 18484 5753 1 13 . 1 1 82 82 ASN CA C 82 54.328 54.328 53.961 0.367 18484 5754 1 13 . 1 1 82 82 ASN CB C 82 37.432 37.432 37.696 -0.264 18484 5755 1 13 . 1 1 82 82 ASN H H 82 9.559 9.559 9.233 0.326 18484 5756 1 13 . 1 1 83 83 GLY N N 83 103.733 103.733 103.515 0.218 18484 5757 1 13 . 1 1 83 83 GLY CA C 83 45.359 45.359 45.336 0.023 18484 5758 1 13 . 1 1 83 83 GLY H H 83 8.626 8.626 8.521 0.105 18484 5759 1 13 . 1 1 84 84 LYS N N 84 121.407 121.407 117.518 3.889 18484 5760 1 13 . 1 1 84 84 LYS HA H 84 4.698 4.698 4.621 0.077 18484 5761 1 13 . 1 1 84 84 LYS CA C 84 55.182 55.182 54.225 0.957 18484 5762 1 13 . 1 1 84 84 LYS CB C 84 34.807 34.807 35.280 -0.473 18484 5763 1 13 . 1 1 84 84 LYS H H 84 7.813 7.813 7.549 0.264 18484 5764 1 13 . 1 1 85 85 THR N N 85 121.799 121.799 115.138 6.661 18484 5765 1 13 . 1 1 85 85 THR HA H 85 5.194 5.194 5.094 0.100 18484 5766 1 13 . 1 1 85 85 THR CA C 85 60.472 60.472 60.955 -0.483 18484 5767 1 13 . 1 1 85 85 THR CB C 85 69.134 69.134 68.471 0.663 18484 5768 1 13 . 1 1 85 85 THR H H 85 8.796 8.796 8.538 0.258 18484 5769 1 13 . 1 1 86 86 THR N N 86 122.071 122.071 121.189 0.882 18484 5770 1 13 . 1 1 86 86 THR HA H 86 4.535 4.535 4.304 0.231 18484 5771 1 13 . 1 1 86 86 THR CA C 86 59.990 59.990 62.566 -2.576 18484 5772 1 13 . 1 1 86 86 THR CB C 86 69.856 69.856 69.541 0.315 18484 5773 1 13 . 1 1 86 86 THR H H 86 9.134 9.134 8.270 0.864 18484 5774 1 13 . 1 1 87 87 GLU N N 87 126.429 126.429 123.862 2.567 18484 5775 1 13 . 1 1 87 87 GLU HA H 87 5.030 5.030 4.496 0.534 18484 5776 1 13 . 1 1 87 87 GLU CA C 87 55.029 55.029 55.739 -0.710 18484 5777 1 13 . 1 1 87 87 GLU CB C 87 31.746 31.746 30.648 1.098 18484 5778 1 13 . 1 1 87 87 GLU H H 87 8.905 8.905 8.588 0.317 18484 5779 1 13 . 1 1 88 88 THR N N 88 120.353 120.353 120.817 -0.464 18484 5780 1 13 . 1 1 88 88 THR HA H 88 4.450 4.450 4.573 -0.123 18484 5781 1 13 . 1 1 88 88 THR CA C 88 60.472 60.472 61.870 -1.398 18484 5782 1 13 . 1 1 88 88 THR CB C 88 70.646 70.646 70.926 -0.280 18484 5783 1 13 . 1 1 88 88 THR H H 88 9.016 9.016 8.540 0.476 18484 5784 1 13 . 1 1 89 89 VAL N N 89 128.484 128.484 127.210 1.274 18484 5785 1 13 . 1 1 89 89 VAL HA H 89 3.978 3.978 4.024 -0.046 18484 5786 1 13 . 1 1 89 89 VAL CA C 89 62.471 62.471 62.477 -0.006 18484 5787 1 13 . 1 1 89 89 VAL CB C 89 31.216 31.216 33.081 -1.865 18484 5788 1 13 . 1 1 89 89 VAL H H 89 9.054 9.054 8.778 0.276 18484 5789 1 13 . 1 1 90 90 LEU N N 90 130.587 130.587 125.517 5.070 18484 5790 1 13 . 1 1 90 90 LEU HA H 90 4.325 4.325 4.533 -0.208 18484 5791 1 13 . 1 1 90 90 LEU CA C 90 56.129 56.129 55.880 0.249 18484 5792 1 13 . 1 1 90 90 LEU CB C 90 42.958 42.958 43.040 -0.082 18484 5793 1 13 . 1 1 90 90 LEU H H 90 9.426 9.426 8.509 0.917 18484 5794 1 13 . 1 1 91 91 ASP N N 91 114.928 114.928 122.329 -7.401 18484 5795 1 13 . 1 1 91 91 ASP HA H 91 4.846 4.846 4.737 0.109 18484 5796 1 13 . 1 1 91 91 ASP CA C 91 53.688 53.688 53.560 0.128 18484 5797 1 13 . 1 1 91 91 ASP CB C 91 43.521 43.521 42.522 0.999 18484 5798 1 13 . 1 1 91 91 ASP H H 91 7.924 7.924 7.804 0.120 18484 5799 1 13 . 1 1 92 92 SER N N 92 117.203 117.203 118.578 -1.375 18484 5800 1 13 . 1 1 92 92 SER HA H 92 5.519 5.519 2.720 2.799 18484 5801 1 13 . 1 1 92 92 SER CA C 92 56.622 56.622 56.545 0.077 18484 5802 1 13 . 1 1 92 92 SER CB C 92 63.359 63.359 64.904 -1.545 18484 5803 1 13 . 1 1 92 92 SER H H 92 8.376 8.376 8.014 0.362 18484 5804 1 13 . 1 1 93 93 GLN N N 93 122.058 122.058 122.334 -0.276 18484 5805 1 13 . 1 1 93 93 GLN HA H 93 4.731 4.731 4.355 0.376 18484 5806 1 13 . 1 1 93 93 GLN CA C 93 54.781 54.781 54.777 0.004 18484 5807 1 13 . 1 1 93 93 GLN CB C 93 33.312 33.312 30.808 2.503 18484 5808 1 13 . 1 1 93 93 GLN H H 93 9.005 9.005 8.076 0.929 18484 5809 1 13 . 1 1 94 94 VAL N N 94 125.231 125.231 120.856 4.375 18484 5810 1 13 . 1 1 94 94 VAL HA H 94 4.233 4.233 4.125 0.108 18484 5811 1 13 . 1 1 94 94 VAL CA C 94 63.282 63.282 62.479 0.803 18484 5812 1 13 . 1 1 94 94 VAL CB C 94 30.906 30.906 31.773 -0.867 18484 5813 1 13 . 1 1 94 94 VAL H H 94 9.085 9.085 8.528 0.557 18484 5814 1 13 . 1 1 95 95 THR N N 95 121.170 121.170 121.424 -0.254 18484 5815 1 13 . 1 1 95 95 THR HA H 95 4.384 4.384 4.575 -0.191 18484 5816 1 13 . 1 1 95 95 THR CA C 95 60.953 60.953 60.640 0.313 18484 5817 1 13 . 1 1 95 95 THR CB C 95 68.653 68.653 68.357 0.296 18484 5818 1 13 . 1 1 95 95 THR H H 95 8.521 8.521 8.599 -0.078 18484 5819 1 13 . 1 1 96 96 LYS N N 96 123.236 123.236 125.156 -1.920 18484 5820 1 13 . 1 1 96 96 LYS HA H 96 4.418 4.418 4.216 0.202 18484 5821 1 13 . 1 1 96 96 LYS CA C 96 56.418 56.418 57.325 -0.907 18484 5822 1 13 . 1 1 96 96 LYS CB C 96 35.690 35.690 32.671 3.019 18484 5823 1 13 . 1 1 96 96 LYS H H 96 7.912 7.912 8.220 -0.308 18484 5824 1 13 . 1 1 97 97 GLU N N 97 125.835 125.835 119.492 6.343 18484 5825 1 13 . 1 1 97 97 GLU HA H 97 4.151 4.151 4.091 0.060 18484 5826 1 13 . 1 1 97 97 GLU CA C 97 56.412 56.412 56.715 -0.303 18484 5827 1 13 . 1 1 97 97 GLU CB C 97 29.948 29.948 29.800 0.148 18484 5828 1 13 . 1 1 97 97 GLU H H 97 8.665 8.665 8.250 0.415 18484 5829 1 13 . 1 1 98 98 VAL N N 98 122.204 122.204 124.698 -2.494 18484 5830 1 13 . 1 1 98 98 VAL HA H 98 3.915 3.915 4.161 -0.246 18484 5831 1 13 . 1 1 98 98 VAL CA C 98 60.208 60.208 62.645 -2.438 18484 5832 1 13 . 1 1 98 98 VAL CB C 98 33.692 33.692 32.284 1.408 18484 5833 1 13 . 1 1 98 98 VAL H H 98 8.339 8.339 8.410 -0.071 18484 5834 1 13 . 1 1 99 99 ILE N N 99 127.874 127.874 129.506 -1.632 18484 5835 1 13 . 1 1 99 99 ILE HA H 99 4.197 4.197 3.938 0.259 18484 5836 1 13 . 1 1 99 99 ILE CA C 99 60.606 60.606 62.233 -1.627 18484 5837 1 13 . 1 1 99 99 ILE CB C 99 39.186 39.186 38.507 0.679 18484 5838 1 13 . 1 1 99 99 ILE H H 99 8.608 8.608 7.835 0.773 18484 5839 1 13 . 1 1 100 100 ASN N N 100 123.343 123.343 125.707 -2.364 18484 5840 1 13 . 1 1 100 100 ASN HA H 100 4.914 4.914 4.918 -0.004 18484 5841 1 13 . 1 1 100 100 ASN CA C 100 53.704 53.704 52.343 1.361 18484 5842 1 13 . 1 1 100 100 ASN CB C 100 37.731 37.731 40.249 -2.518 18484 5843 1 13 . 1 1 100 100 ASN H H 100 8.446 8.446 8.325 0.121 18484 5844 1 13 . 1 1 101 101 GLN N N 101 120.980 120.980 123.271 -2.291 18484 5845 1 13 . 1 1 101 101 GLN HA H 101 4.325 4.325 4.508 -0.183 18484 5846 1 13 . 1 1 101 101 GLN CA C 101 54.659 54.659 55.585 -0.926 18484 5847 1 13 . 1 1 101 101 GLN CB C 101 31.616 31.616 28.308 3.308 18484 5848 1 13 . 1 1 101 101 GLN H H 101 8.254 8.254 8.791 -0.537 18484 5849 1 13 . 1 1 102 102 VAL N N 102 127.057 127.057 129.070 -2.013 18484 5850 1 13 . 1 1 102 102 VAL HA H 102 4.965 4.965 4.139 0.826 18484 5851 1 13 . 1 1 102 102 VAL CA C 102 60.264 60.264 61.762 -1.498 18484 5852 1 13 . 1 1 102 102 VAL CB C 102 33.626 33.626 31.843 1.783 18484 5853 1 13 . 1 1 102 102 VAL H H 102 8.742 8.742 8.109 0.633 18484 5854 1 13 . 1 1 103 103 VAL N N 103 127.794 127.794 123.844 3.950 18484 5855 1 13 . 1 1 103 103 VAL HA H 103 4.812 4.812 5.124 -0.312 18484 5856 1 13 . 1 1 103 103 VAL CA C 103 58.547 58.547 59.029 -0.482 18484 5857 1 13 . 1 1 103 103 VAL CB C 103 35.718 35.718 33.969 1.749 18484 5858 1 13 . 1 1 103 103 VAL H H 103 9.160 9.160 8.015 1.145 18484 5859 1 13 . 1 1 104 104 GLU N N 104 125.160 125.160 126.000 -0.840 18484 5860 1 13 . 1 1 104 104 GLU HA H 104 5.513 5.513 4.792 0.721 18484 5861 1 13 . 1 1 104 104 GLU CA C 104 53.721 53.721 54.912 -1.191 18484 5862 1 13 . 1 1 104 104 GLU CB C 104 32.383 32.383 31.201 1.182 18484 5863 1 13 . 1 1 104 104 GLU H H 104 9.085 9.085 8.358 0.727 18484 5864 1 13 . 1 1 105 105 VAL N N 105 117.602 117.602 121.028 -3.426 18484 5865 1 13 . 1 1 105 105 VAL HA H 105 5.241 5.241 5.163 0.078 18484 5866 1 13 . 1 1 105 105 VAL CA C 105 57.055 57.055 59.236 -2.180 18484 5867 1 13 . 1 1 105 105 VAL CB C 105 35.204 35.204 32.862 2.342 18484 5868 1 13 . 1 1 105 105 VAL H H 105 8.536 8.536 9.057 -0.521 18484 5869 1 13 . 1 1 106 106 GLY N N 106 111.023 111.023 111.931 -0.908 18484 5870 1 13 . 1 1 106 106 GLY CA C 106 46.117 46.117 44.294 1.823 18484 5871 1 13 . 1 1 106 106 GLY H H 106 8.635 8.635 8.116 0.519 18484 5872 1 13 . 1 1 107 107 ALA N N 107 127.369 127.369 126.051 1.318 18484 5873 1 13 . 1 1 107 107 ALA HA H 107 4.515 4.515 4.748 -0.233 18484 5874 1 13 . 1 1 107 107 ALA CA C 107 50.477 50.477 51.182 -0.705 18484 5875 1 13 . 1 1 107 107 ALA CB C 107 19.924 19.924 19.440 0.484 18484 5876 1 13 . 1 1 107 107 ALA H H 107 7.929 7.929 8.079 -0.150 18484 5877 1 13 . 1 1 108 108 PRO HA H 108 4.494 4.494 4.493 0.001 18484 5878 1 13 . 1 1 108 108 PRO CA C 108 61.698 61.698 62.529 -0.831 18484 5879 1 13 . 1 1 108 108 PRO CB C 108 31.900 31.900 30.040 1.860 18484 5880 1 13 . 1 1 109 109 VAL N N 109 119.821 119.821 119.778 0.043 18484 5881 1 13 . 1 1 109 109 VAL HA H 109 4.092 4.092 3.697 0.395 18484 5882 1 13 . 1 1 109 109 VAL CA C 109 60.949 60.949 63.229 -2.280 18484 5883 1 13 . 1 1 109 109 VAL CB C 109 32.389 32.389 31.238 1.151 18484 5884 1 13 . 1 1 109 109 VAL H H 109 8.303 8.303 8.285 0.018 18484 5885 1 13 . 1 1 110 110 THR N N 110 118.171 118.171 116.998 1.173 18484 5886 1 13 . 1 1 110 110 THR HA H 110 4.338 4.338 4.465 -0.127 18484 5887 1 13 . 1 1 110 110 THR CA C 110 59.028 59.028 63.743 -4.715 18484 5888 1 13 . 1 1 110 110 THR CB C 110 67.676 67.676 69.638 -1.962 18484 5889 1 13 . 1 1 110 110 THR H H 110 8.209 8.209 8.328 -0.119 18484 5890 1 14 . 1 1 2 2 GLY N N 2 110.403 110.403 110.141 0.262 18484 5891 1 14 . 1 1 2 2 GLY H H 2 8.459 8.459 8.402 0.057 18484 5892 1 14 . 1 1 10 10 SER HA H 10 4.435 4.435 4.195 0.240 18484 5893 1 14 . 1 1 11 11 SER CA C 11 57.649 57.649 58.989 -1.340 18484 5894 1 14 . 1 1 11 11 SER CB C 11 62.672 62.672 63.835 -1.163 18484 5895 1 14 . 1 1 12 12 GLY N N 12 110.471 110.471 109.175 1.296 18484 5896 1 14 . 1 1 12 12 GLY CA C 12 45.312 45.312 44.688 0.624 18484 5897 1 14 . 1 1 12 12 GLY H H 12 8.365 8.365 8.253 0.112 18484 5898 1 14 . 1 1 13 13 LEU N N 13 121.432 121.432 123.693 -2.261 18484 5899 1 14 . 1 1 13 13 LEU HA H 13 4.327 4.327 4.715 -0.388 18484 5900 1 14 . 1 1 13 13 LEU CA C 13 55.573 55.573 53.558 2.015 18484 5901 1 14 . 1 1 13 13 LEU CB C 13 42.428 42.428 44.172 -1.744 18484 5902 1 14 . 1 1 13 13 LEU H H 13 8.024 8.024 7.861 0.163 18484 5903 1 14 . 1 1 14 14 VAL N N 14 122.309 122.309 122.779 -0.470 18484 5904 1 14 . 1 1 14 14 VAL H H 14 8.062 8.062 8.410 -0.348 18484 5905 1 14 . 1 1 16 16 ARG N N 16 121.951 121.951 118.304 3.647 18484 5906 1 14 . 1 1 16 16 ARG HA H 16 4.312 4.312 4.457 -0.145 18484 5907 1 14 . 1 1 16 16 ARG CA C 16 56.102 56.102 56.150 -0.048 18484 5908 1 14 . 1 1 16 16 ARG CB C 16 30.891 30.891 32.275 -1.383 18484 5909 1 14 . 1 1 16 16 ARG H H 16 8.465 8.465 7.761 0.704 18484 5910 1 14 . 1 1 20 20 MET HA H 20 4.435 4.435 4.483 -0.048 18484 5911 1 14 . 1 1 20 20 MET CA C 20 55.500 55.500 56.013 -0.513 18484 5912 1 14 . 1 1 20 20 MET CB C 20 32.070 32.070 33.083 -1.013 18484 5913 1 14 . 1 1 21 21 SER N N 21 117.005 117.005 115.636 1.369 18484 5914 1 14 . 1 1 21 21 SER HA H 21 4.435 4.435 4.536 -0.101 18484 5915 1 14 . 1 1 21 21 SER CA C 21 57.066 57.066 58.634 -1.568 18484 5916 1 14 . 1 1 21 21 SER CB C 21 62.566 62.566 64.117 -1.550 18484 5917 1 14 . 1 1 21 21 SER H H 21 8.332 8.332 8.368 -0.036 18484 5918 1 14 . 1 1 22 22 LEU N N 22 124.083 124.083 122.514 1.569 18484 5919 1 14 . 1 1 22 22 LEU HA H 22 4.348 4.348 4.564 -0.216 18484 5920 1 14 . 1 1 22 22 LEU CA C 22 55.471 55.471 55.534 -0.063 18484 5921 1 14 . 1 1 22 22 LEU CB C 22 42.322 42.322 43.705 -1.383 18484 5922 1 14 . 1 1 22 22 LEU H H 22 8.340 8.340 7.629 0.711 18484 5923 1 14 . 1 1 23 23 ASP N N 23 120.867 120.867 121.923 -1.056 18484 5924 1 14 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.359 0.207 18484 5925 1 14 . 1 1 23 23 ASP CA C 23 54.687 54.687 55.424 -0.737 18484 5926 1 14 . 1 1 23 23 ASP CB C 23 41.553 41.553 40.850 0.703 18484 5927 1 14 . 1 1 23 23 ASP H H 23 8.312 8.312 8.606 -0.294 18484 5928 1 14 . 1 1 24 24 GLU N N 24 121.470 121.470 116.261 5.209 18484 5929 1 14 . 1 1 24 24 GLU HA H 24 4.566 4.566 4.016 0.550 18484 5930 1 14 . 1 1 24 24 GLU CA C 24 56.921 56.921 57.339 -0.418 18484 5931 1 14 . 1 1 24 24 GLU CB C 24 30.015 30.015 28.184 1.831 18484 5932 1 14 . 1 1 24 24 GLU H H 24 8.411 8.411 8.571 -0.160 18484 5933 1 14 . 1 1 25 25 ASN N N 25 118.582 118.582 117.601 0.981 18484 5934 1 14 . 1 1 25 25 ASN HA H 25 4.707 4.707 4.637 0.070 18484 5935 1 14 . 1 1 25 25 ASN CA C 25 53.593 53.593 54.579 -0.986 18484 5936 1 14 . 1 1 25 25 ASN CB C 25 39.188 39.188 38.839 0.349 18484 5937 1 14 . 1 1 25 25 ASN H H 25 8.436 8.436 8.223 0.213 18484 5938 1 14 . 1 1 26 26 GLU N N 26 121.262 121.262 119.757 1.505 18484 5939 1 14 . 1 1 26 26 GLU HA H 26 4.247 4.247 4.410 -0.163 18484 5940 1 14 . 1 1 26 26 GLU CA C 26 56.310 56.310 55.667 0.643 18484 5941 1 14 . 1 1 26 26 GLU CB C 26 30.342 30.342 30.521 -0.179 18484 5942 1 14 . 1 1 26 26 GLU H H 26 8.196 8.196 8.009 0.187 18484 5943 1 14 . 1 1 27 27 VAL N N 27 121.381 121.381 120.192 1.189 18484 5944 1 14 . 1 1 27 27 VAL HA H 27 4.036 4.036 4.061 -0.025 18484 5945 1 14 . 1 1 27 27 VAL CA C 27 62.396 62.396 63.010 -0.614 18484 5946 1 14 . 1 1 27 27 VAL CB C 27 32.770 32.770 31.549 1.221 18484 5947 1 14 . 1 1 27 27 VAL H H 27 8.092 8.092 8.210 -0.118 18484 5948 1 14 . 1 1 28 28 ALA N N 28 127.549 127.549 131.453 -3.904 18484 5949 1 14 . 1 1 28 28 ALA HA H 28 4.300 4.300 4.424 -0.124 18484 5950 1 14 . 1 1 28 28 ALA CA C 28 52.388 52.388 52.264 0.124 18484 5951 1 14 . 1 1 28 28 ALA CB C 28 20.383 20.383 19.290 1.093 18484 5952 1 14 . 1 1 28 28 ALA H H 28 8.280 8.280 8.411 -0.131 18484 5953 1 14 . 1 1 29 29 ALA N N 29 122.963 122.963 125.519 -2.556 18484 5954 1 14 . 1 1 29 29 ALA HA H 29 4.257 4.257 4.575 -0.318 18484 5955 1 14 . 1 1 29 29 ALA CA C 29 52.737 52.737 52.565 0.173 18484 5956 1 14 . 1 1 29 29 ALA CB C 29 20.585 20.585 19.692 0.893 18484 5957 1 14 . 1 1 29 29 ALA H H 29 8.182 8.182 8.209 -0.027 18484 5958 1 14 . 1 1 30 30 ASN N N 30 117.863 117.863 120.318 -2.455 18484 5959 1 14 . 1 1 30 30 ASN HA H 30 4.697 4.697 4.870 -0.173 18484 5960 1 14 . 1 1 30 30 ASN CA C 30 53.107 53.107 54.755 -1.648 18484 5961 1 14 . 1 1 30 30 ASN CB C 30 38.876 38.876 39.037 -0.161 18484 5962 1 14 . 1 1 30 30 ASN H H 30 8.323 8.323 8.716 -0.393 18484 5963 1 14 . 1 1 31 31 VAL N N 31 120.074 120.074 113.670 6.404 18484 5964 1 14 . 1 1 31 31 VAL HA H 31 4.131 4.131 4.209 -0.078 18484 5965 1 14 . 1 1 31 31 VAL CA C 31 60.983 60.983 62.415 -1.432 18484 5966 1 14 . 1 1 31 31 VAL CB C 31 32.827 32.827 33.606 -0.779 18484 5967 1 14 . 1 1 31 31 VAL H H 31 8.041 8.041 7.695 0.346 18484 5968 1 14 . 1 1 32 32 GLU N N 32 124.378 124.378 122.125 2.253 18484 5969 1 14 . 1 1 32 32 GLU HA H 32 4.339 4.339 4.081 0.258 18484 5970 1 14 . 1 1 32 32 GLU CA C 32 56.728 56.728 57.206 -0.478 18484 5971 1 14 . 1 1 32 32 GLU CB C 32 30.439 30.439 29.321 1.118 18484 5972 1 14 . 1 1 32 32 GLU H H 32 8.487 8.487 8.567 -0.080 18484 5973 1 14 . 1 1 33 33 THR N N 33 116.772 116.772 115.365 1.407 18484 5974 1 14 . 1 1 33 33 THR HA H 33 4.312 4.312 4.414 -0.102 18484 5975 1 14 . 1 1 33 33 THR CA C 33 60.472 60.472 62.948 -2.476 18484 5976 1 14 . 1 1 33 33 THR CB C 33 68.412 68.412 69.437 -1.025 18484 5977 1 14 . 1 1 33 33 THR H H 33 8.224 8.224 8.076 0.148 18484 5978 1 14 . 1 1 34 34 ARG N N 34 124.955 124.955 126.677 -1.722 18484 5979 1 14 . 1 1 34 34 ARG HA H 34 4.732 4.732 4.596 0.136 18484 5980 1 14 . 1 1 34 34 ARG CA C 34 53.635 53.635 55.681 -2.046 18484 5981 1 14 . 1 1 34 34 ARG CB C 34 30.581 30.581 31.220 -0.639 18484 5982 1 14 . 1 1 34 34 ARG H H 34 8.438 8.438 8.320 0.118 18484 5983 1 14 . 1 1 35 35 PRO HA H 35 4.667 4.667 4.404 0.263 18484 5984 1 14 . 1 1 35 35 PRO CA C 35 61.995 61.995 63.512 -1.517 18484 5985 1 14 . 1 1 35 35 PRO CB C 35 32.459 32.459 32.420 0.039 18484 5986 1 14 . 1 1 36 36 GLU N N 36 121.398 121.398 116.817 4.581 18484 5987 1 14 . 1 1 36 36 GLU HA H 36 4.509 4.509 4.517 -0.008 18484 5988 1 14 . 1 1 36 36 GLU CA C 36 55.563 55.563 55.948 -0.385 18484 5989 1 14 . 1 1 36 36 GLU CB C 36 31.628 31.628 32.399 -0.771 18484 5990 1 14 . 1 1 36 36 GLU H H 36 8.663 8.663 8.160 0.503 18484 5991 1 14 . 1 1 37 37 LEU N N 37 125.233 125.233 123.033 2.200 18484 5992 1 14 . 1 1 37 37 LEU HA H 37 5.240 5.240 4.675 0.565 18484 5993 1 14 . 1 1 37 37 LEU CA C 37 54.120 54.120 54.235 -0.115 18484 5994 1 14 . 1 1 37 37 LEU CB C 37 42.407 42.407 42.773 -0.366 18484 5995 1 14 . 1 1 37 37 LEU H H 37 8.352 8.352 8.520 -0.168 18484 5996 1 14 . 1 1 38 38 ILE N N 38 121.904 121.904 121.587 0.317 18484 5997 1 14 . 1 1 38 38 ILE HA H 38 4.775 4.775 4.669 0.106 18484 5998 1 14 . 1 1 38 38 ILE CA C 38 58.065 58.065 59.516 -1.451 18484 5999 1 14 . 1 1 38 38 ILE CB C 38 41.790 41.790 40.161 1.629 18484 6000 1 14 . 1 1 38 38 ILE H H 38 9.224 9.224 8.759 0.465 18484 6001 1 14 . 1 1 39 39 THR N N 39 111.692 111.692 110.484 1.208 18484 6002 1 14 . 1 1 39 39 THR HA H 39 5.443 5.443 5.171 0.272 18484 6003 1 14 . 1 1 39 39 THR CA C 39 57.825 57.825 60.794 -2.969 18484 6004 1 14 . 1 1 39 39 THR CB C 39 70.337 70.337 71.160 -0.823 18484 6005 1 14 . 1 1 39 39 THR H H 39 8.077 8.077 8.194 -0.117 18484 6006 1 14 . 1 1 40 40 ARG N N 40 121.666 121.666 122.274 -0.608 18484 6007 1 14 . 1 1 40 40 ARG HA H 40 4.707 4.707 4.638 0.069 18484 6008 1 14 . 1 1 40 40 ARG CA C 40 55.674 55.674 55.636 0.038 18484 6009 1 14 . 1 1 40 40 ARG CB C 40 34.932 34.932 33.419 1.513 18484 6010 1 14 . 1 1 40 40 ARG H H 40 8.558 8.558 8.977 -0.419 18484 6011 1 14 . 1 1 41 41 THR N N 41 115.335 115.335 117.673 -2.338 18484 6012 1 14 . 1 1 41 41 THR HA H 41 5.345 5.345 5.034 0.311 18484 6013 1 14 . 1 1 41 41 THR CA C 41 59.028 59.028 61.247 -2.219 18484 6014 1 14 . 1 1 41 41 THR CB C 41 70.332 70.332 69.711 0.621 18484 6015 1 14 . 1 1 41 41 THR H H 41 8.532 8.532 8.389 0.143 18484 6016 1 14 . 1 1 42 42 GLU N N 42 122.278 122.278 127.673 -5.395 18484 6017 1 14 . 1 1 42 42 GLU HA H 42 4.705 4.705 4.509 0.196 18484 6018 1 14 . 1 1 42 42 GLU CA C 42 54.318 54.318 54.276 0.042 18484 6019 1 14 . 1 1 42 42 GLU CB C 42 33.984 33.984 32.068 1.917 18484 6020 1 14 . 1 1 42 42 GLU H H 42 9.049 9.049 9.091 -0.042 18484 6021 1 14 . 1 1 43 43 GLU N N 43 122.782 122.782 123.821 -1.039 18484 6022 1 14 . 1 1 43 43 GLU HA H 43 4.659 4.659 4.220 0.439 18484 6023 1 14 . 1 1 43 43 GLU CA C 43 56.074 56.074 56.572 -0.498 18484 6024 1 14 . 1 1 43 43 GLU CB C 43 31.559 31.559 28.274 3.285 18484 6025 1 14 . 1 1 43 43 GLU H H 43 8.722 8.722 8.665 0.057 18484 6026 1 14 . 1 1 44 44 ILE N N 44 123.255 123.255 125.941 -2.686 18484 6027 1 14 . 1 1 44 44 ILE HA H 44 4.557 4.557 4.544 0.013 18484 6028 1 14 . 1 1 44 44 ILE CA C 44 55.622 55.622 58.218 -2.596 18484 6029 1 14 . 1 1 44 44 ILE CB C 44 40.902 40.902 38.688 2.214 18484 6030 1 14 . 1 1 44 44 ILE H H 44 7.740 7.740 7.869 -0.129 18484 6031 1 14 . 1 1 45 45 PRO HA H 45 4.177 4.177 4.604 -0.427 18484 6032 1 14 . 1 1 45 45 PRO CA C 45 61.978 61.978 62.246 -0.268 18484 6033 1 14 . 1 1 45 45 PRO CB C 45 32.314 32.314 32.276 0.038 18484 6034 1 14 . 1 1 46 46 PHE N N 46 114.670 114.670 119.435 -4.765 18484 6035 1 14 . 1 1 46 46 PHE HA H 46 4.913 4.913 4.765 0.148 18484 6036 1 14 . 1 1 46 46 PHE CA C 46 54.749 54.749 56.068 -1.319 18484 6037 1 14 . 1 1 46 46 PHE CB C 46 42.057 42.057 40.157 1.900 18484 6038 1 14 . 1 1 46 46 PHE H H 46 6.912 6.912 8.241 -1.329 18484 6039 1 14 . 1 1 47 47 GLU N N 47 120.217 120.217 120.087 0.130 18484 6040 1 14 . 1 1 47 47 GLU HA H 47 4.600 4.600 4.282 0.318 18484 6041 1 14 . 1 1 47 47 GLU CA C 47 54.771 54.771 55.340 -0.569 18484 6042 1 14 . 1 1 47 47 GLU CB C 47 32.338 32.338 32.172 0.166 18484 6043 1 14 . 1 1 47 47 GLU H H 47 8.271 8.271 8.696 -0.425 18484 6044 1 14 . 1 1 48 48 VAL N N 48 121.331 121.331 124.984 -3.653 18484 6045 1 14 . 1 1 48 48 VAL HA H 48 4.734 4.734 4.253 0.481 18484 6046 1 14 . 1 1 48 48 VAL CA C 48 61.472 61.472 62.926 -1.454 18484 6047 1 14 . 1 1 48 48 VAL CB C 48 32.699 32.699 32.535 0.164 18484 6048 1 14 . 1 1 48 48 VAL H H 48 8.625 8.625 8.356 0.269 18484 6049 1 14 . 1 1 49 49 ILE N N 49 132.310 132.310 129.372 2.938 18484 6050 1 14 . 1 1 49 49 ILE HA H 49 4.205 4.205 4.450 -0.245 18484 6051 1 14 . 1 1 49 49 ILE CA C 49 58.886 58.886 59.292 -0.406 18484 6052 1 14 . 1 1 49 49 ILE CB C 49 39.037 39.037 39.681 -0.644 18484 6053 1 14 . 1 1 49 49 ILE H H 49 9.505 9.505 8.005 1.500 18484 6054 1 14 . 1 1 50 50 LYS N N 50 125.764 125.764 122.363 3.401 18484 6055 1 14 . 1 1 50 50 LYS HA H 50 5.284 5.284 4.663 0.621 18484 6056 1 14 . 1 1 50 50 LYS CA C 50 54.802 54.802 55.288 -0.486 18484 6057 1 14 . 1 1 50 50 LYS CB C 50 34.186 34.186 33.000 1.186 18484 6058 1 14 . 1 1 50 50 LYS H H 50 8.507 8.507 8.381 0.126 18484 6059 1 14 . 1 1 51 51 LYS N N 51 124.935 124.935 124.237 0.698 18484 6060 1 14 . 1 1 51 51 LYS HA H 51 4.608 4.608 4.581 0.027 18484 6061 1 14 . 1 1 51 51 LYS CA C 51 54.006 54.006 54.529 -0.523 18484 6062 1 14 . 1 1 51 51 LYS CB C 51 34.756 34.756 34.207 0.549 18484 6063 1 14 . 1 1 51 51 LYS H H 51 9.066 9.066 8.227 0.839 18484 6064 1 14 . 1 1 52 52 GLU N N 52 124.186 124.186 120.363 3.823 18484 6065 1 14 . 1 1 52 52 GLU HA H 52 4.621 4.621 4.857 -0.236 18484 6066 1 14 . 1 1 52 52 GLU CA C 52 55.931 55.931 55.657 0.274 18484 6067 1 14 . 1 1 52 52 GLU CB C 52 31.036 31.036 30.128 0.908 18484 6068 1 14 . 1 1 52 52 GLU H H 52 8.777 8.777 8.454 0.323 18484 6069 1 14 . 1 1 53 53 ASN N N 53 121.687 121.687 124.458 -2.771 18484 6070 1 14 . 1 1 53 53 ASN HA H 53 5.240 5.240 5.100 0.140 18484 6071 1 14 . 1 1 53 53 ASN CA C 53 49.409 49.409 50.081 -0.672 18484 6072 1 14 . 1 1 53 53 ASN CB C 53 40.473 40.473 39.520 0.953 18484 6073 1 14 . 1 1 53 53 ASN H H 53 8.890 8.890 8.426 0.464 18484 6074 1 14 . 1 1 54 54 PRO HA H 54 4.587 4.587 4.419 0.168 18484 6075 1 14 . 1 1 54 54 PRO CA C 54 62.650 62.650 64.163 -1.513 18484 6076 1 14 . 1 1 54 54 PRO CB C 54 32.219 32.219 31.717 0.502 18484 6077 1 14 . 1 1 55 55 ASN N N 55 115.629 115.629 116.476 -0.847 18484 6078 1 14 . 1 1 55 55 ASN HA H 55 4.695 4.695 4.801 -0.106 18484 6079 1 14 . 1 1 55 55 ASN CA C 55 53.685 53.685 53.135 0.550 18484 6080 1 14 . 1 1 55 55 ASN CB C 55 39.137 39.137 38.712 0.425 18484 6081 1 14 . 1 1 55 55 ASN H H 55 8.422 8.422 8.340 0.082 18484 6082 1 14 . 1 1 56 56 LEU N N 56 121.277 121.277 120.512 0.765 18484 6083 1 14 . 1 1 56 56 LEU HA H 56 4.686 4.686 4.769 -0.083 18484 6084 1 14 . 1 1 56 56 LEU CA C 56 52.145 52.145 51.355 0.790 18484 6085 1 14 . 1 1 56 56 LEU CB C 56 42.456 42.456 43.668 -1.212 18484 6086 1 14 . 1 1 56 56 LEU H H 56 7.278 7.278 7.408 -0.130 18484 6087 1 14 . 1 1 57 57 PRO HA H 57 4.298 4.298 4.515 -0.217 18484 6088 1 14 . 1 1 57 57 PRO CA C 57 61.332 61.332 62.270 -0.938 18484 6089 1 14 . 1 1 57 57 PRO CB C 57 32.232 32.232 31.264 0.968 18484 6090 1 14 . 1 1 58 58 ALA N N 58 123.896 123.896 121.769 2.127 18484 6091 1 14 . 1 1 58 58 ALA HA H 58 3.892 3.892 3.991 -0.099 18484 6092 1 14 . 1 1 58 58 ALA CA C 58 53.559 53.559 52.766 0.793 18484 6093 1 14 . 1 1 58 58 ALA CB C 58 19.480 19.480 18.381 1.099 18484 6094 1 14 . 1 1 58 58 ALA H H 58 8.263 8.263 7.742 0.521 18484 6095 1 14 . 1 1 59 59 GLY N N 59 110.843 110.843 109.203 1.640 18484 6096 1 14 . 1 1 59 59 GLY CA C 59 45.339 45.339 45.601 -0.262 18484 6097 1 14 . 1 1 59 59 GLY H H 59 8.755 8.755 8.512 0.243 18484 6098 1 14 . 1 1 60 60 GLN N N 60 121.444 121.444 118.831 2.613 18484 6099 1 14 . 1 1 60 60 GLN HA H 60 4.251 4.251 4.580 -0.329 18484 6100 1 14 . 1 1 60 60 GLN CA C 60 56.080 56.080 54.801 1.278 18484 6101 1 14 . 1 1 60 60 GLN CB C 60 29.876 29.876 31.313 -1.437 18484 6102 1 14 . 1 1 60 60 GLN H H 60 7.877 7.877 7.867 0.010 18484 6103 1 14 . 1 1 61 61 GLU N N 61 123.364 123.364 120.655 2.709 18484 6104 1 14 . 1 1 61 61 GLU HA H 61 5.241 5.241 4.865 0.376 18484 6105 1 14 . 1 1 61 61 GLU CA C 61 55.012 55.012 55.253 -0.241 18484 6106 1 14 . 1 1 61 61 GLU CB C 61 32.368 32.368 33.466 -1.098 18484 6107 1 14 . 1 1 61 61 GLU H H 61 8.419 8.419 8.548 -0.129 18484 6108 1 14 . 1 1 62 62 ASN N N 62 121.499 121.499 119.346 2.153 18484 6109 1 14 . 1 1 62 62 ASN HA H 62 5.078 5.078 4.898 0.180 18484 6110 1 14 . 1 1 62 62 ASN CA C 62 51.617 51.617 52.451 -0.834 18484 6111 1 14 . 1 1 62 62 ASN CB C 62 40.999 40.999 40.795 0.204 18484 6112 1 14 . 1 1 62 62 ASN H H 62 9.164 9.164 8.520 0.644 18484 6113 1 14 . 1 1 63 63 ILE N N 63 125.976 125.976 123.426 2.550 18484 6114 1 14 . 1 1 63 63 ILE HA H 63 3.979 3.979 4.324 -0.345 18484 6115 1 14 . 1 1 63 63 ILE CA C 63 61.650 61.650 60.083 1.567 18484 6116 1 14 . 1 1 63 63 ILE CB C 63 37.404 37.404 35.720 1.684 18484 6117 1 14 . 1 1 63 63 ILE H H 63 9.032 9.032 8.690 0.342 18484 6118 1 14 . 1 1 64 64 ILE N N 64 130.073 130.073 128.865 1.208 18484 6119 1 14 . 1 1 64 64 ILE HA H 64 4.139 4.139 4.016 0.123 18484 6120 1 14 . 1 1 64 64 ILE CA C 64 60.699 60.699 62.027 -1.328 18484 6121 1 14 . 1 1 64 64 ILE CB C 64 38.029 38.029 37.972 0.057 18484 6122 1 14 . 1 1 64 64 ILE H H 64 8.876 8.876 8.805 0.071 18484 6123 1 14 . 1 1 65 65 THR N N 65 116.771 116.771 114.343 2.428 18484 6124 1 14 . 1 1 65 65 THR HA H 65 4.349 4.349 4.417 -0.068 18484 6125 1 14 . 1 1 65 65 THR CA C 65 60.066 60.066 61.122 -1.056 18484 6126 1 14 . 1 1 65 65 THR CB C 65 71.059 71.059 69.872 1.187 18484 6127 1 14 . 1 1 65 65 THR H H 65 7.699 7.699 7.557 0.142 18484 6128 1 14 . 1 1 66 66 ALA N N 66 130.117 130.117 128.061 2.056 18484 6129 1 14 . 1 1 66 66 ALA HA H 66 3.928 3.928 4.094 -0.166 18484 6130 1 14 . 1 1 66 66 ALA CA C 66 51.617 51.617 52.743 -1.126 18484 6131 1 14 . 1 1 66 66 ALA CB C 66 19.653 19.653 19.489 0.164 18484 6132 1 14 . 1 1 66 66 ALA H H 66 8.579 8.579 8.222 0.357 18484 6133 1 14 . 1 1 67 67 GLY N N 67 107.619 107.619 107.570 0.049 18484 6134 1 14 . 1 1 67 67 GLY CA C 67 43.606 43.606 43.532 0.074 18484 6135 1 14 . 1 1 67 67 GLY H H 67 8.387 8.387 7.874 0.513 18484 6136 1 14 . 1 1 68 68 VAL N N 68 123.776 123.776 121.794 1.982 18484 6137 1 14 . 1 1 68 68 VAL HA H 68 4.124 4.124 4.254 -0.130 18484 6138 1 14 . 1 1 68 68 VAL CA C 68 60.443 60.443 60.443 -0.000 18484 6139 1 14 . 1 1 68 68 VAL CB C 68 34.972 34.972 36.022 -1.050 18484 6140 1 14 . 1 1 68 68 VAL H H 68 8.966 8.966 8.049 0.917 18484 6141 1 14 . 1 1 69 69 LYS N N 69 125.803 125.803 126.044 -0.241 18484 6142 1 14 . 1 1 69 69 LYS HA H 69 4.448 4.448 4.453 -0.005 18484 6143 1 14 . 1 1 69 69 LYS CA C 69 57.012 57.012 56.693 0.319 18484 6144 1 14 . 1 1 69 69 LYS CB C 69 33.410 33.410 31.426 1.984 18484 6145 1 14 . 1 1 69 69 LYS H H 69 8.799 8.799 8.832 -0.033 18484 6146 1 14 . 1 1 70 70 GLY N N 70 108.188 108.188 112.602 -4.414 18484 6147 1 14 . 1 1 70 70 GLY CA C 70 43.549 43.549 44.258 -0.709 18484 6148 1 14 . 1 1 70 70 GLY H H 70 8.858 8.858 8.171 0.687 18484 6149 1 14 . 1 1 71 71 GLU N N 71 123.030 123.030 119.636 3.394 18484 6150 1 14 . 1 1 71 71 GLU HA H 71 5.059 5.059 4.681 0.378 18484 6151 1 14 . 1 1 71 71 GLU CA C 71 56.146 56.146 56.450 -0.304 18484 6152 1 14 . 1 1 71 71 GLU CB C 71 36.142 36.142 31.849 4.293 18484 6153 1 14 . 1 1 71 71 GLU H H 71 9.538 9.538 8.317 1.221 18484 6154 1 14 . 1 1 72 72 ARG N N 72 126.426 126.426 126.258 0.168 18484 6155 1 14 . 1 1 72 72 ARG HA H 72 5.059 5.059 4.987 0.072 18484 6156 1 14 . 1 1 72 72 ARG CA C 72 54.001 54.001 54.627 -0.626 18484 6157 1 14 . 1 1 72 72 ARG CB C 72 33.500 33.500 32.239 1.261 18484 6158 1 14 . 1 1 72 72 ARG H H 72 9.191 9.191 8.085 1.106 18484 6159 1 14 . 1 1 73 73 THR N N 73 120.983 120.983 121.210 -0.227 18484 6160 1 14 . 1 1 73 73 THR HA H 73 4.522 4.522 4.587 -0.065 18484 6161 1 14 . 1 1 73 73 THR CA C 73 60.953 60.953 64.148 -3.195 18484 6162 1 14 . 1 1 73 73 THR CB C 73 68.412 68.412 69.538 -1.126 18484 6163 1 14 . 1 1 73 73 THR H H 73 9.249 9.249 8.611 0.638 18484 6164 1 14 . 1 1 74 74 HIS N N 74 125.685 125.685 124.424 1.261 18484 6165 1 14 . 1 1 74 74 HIS HA H 74 5.153 5.153 4.928 0.225 18484 6166 1 14 . 1 1 74 74 HIS CA C 74 54.487 54.487 54.888 -0.401 18484 6167 1 14 . 1 1 74 74 HIS CB C 74 32.997 32.997 32.194 0.804 18484 6168 1 14 . 1 1 74 74 HIS H H 74 9.056 9.056 9.166 -0.110 18484 6169 1 14 . 1 1 75 75 TYR N N 75 123.688 123.688 124.695 -1.007 18484 6170 1 14 . 1 1 75 75 TYR HA H 75 4.868 4.868 4.927 -0.059 18484 6171 1 14 . 1 1 75 75 TYR CA C 75 56.499 56.499 54.793 1.706 18484 6172 1 14 . 1 1 75 75 TYR CB C 75 38.425 38.425 36.721 1.704 18484 6173 1 14 . 1 1 75 75 TYR H H 75 8.945 8.945 8.115 0.830 18484 6174 1 14 . 1 1 76 76 ILE N N 76 125.717 125.717 123.875 1.842 18484 6175 1 14 . 1 1 76 76 ILE HA H 76 4.800 4.800 4.300 0.500 18484 6176 1 14 . 1 1 76 76 ILE CA C 76 58.787 58.787 60.125 -1.338 18484 6177 1 14 . 1 1 76 76 ILE CB C 76 42.034 42.034 40.528 1.506 18484 6178 1 14 . 1 1 76 76 ILE H H 76 9.079 9.079 8.422 0.657 18484 6179 1 14 . 1 1 77 77 SER N N 77 120.473 120.473 117.256 3.217 18484 6180 1 14 . 1 1 77 77 SER HA H 77 5.183 5.183 4.817 0.366 18484 6181 1 14 . 1 1 77 77 SER CA C 77 55.930 55.930 56.580 -0.650 18484 6182 1 14 . 1 1 77 77 SER CB C 77 63.118 63.118 63.953 -0.835 18484 6183 1 14 . 1 1 77 77 SER H H 77 9.047 9.047 8.047 1.000 18484 6184 1 14 . 1 1 78 78 VAL N N 78 128.488 128.488 124.733 3.755 18484 6185 1 14 . 1 1 78 78 VAL HA H 78 4.729 4.729 4.170 0.559 18484 6186 1 14 . 1 1 78 78 VAL CA C 78 60.517 60.517 62.001 -1.484 18484 6187 1 14 . 1 1 78 78 VAL CB C 78 33.685 33.685 31.624 2.061 18484 6188 1 14 . 1 1 78 78 VAL H H 78 9.301 9.301 8.084 1.217 18484 6189 1 14 . 1 1 79 79 LEU N N 79 129.698 129.698 129.397 0.301 18484 6190 1 14 . 1 1 79 79 LEU HA H 79 4.783 4.783 4.733 0.050 18484 6191 1 14 . 1 1 79 79 LEU CA C 79 53.873 53.873 53.221 0.652 18484 6192 1 14 . 1 1 79 79 LEU CB C 79 45.605 45.605 44.029 1.576 18484 6193 1 14 . 1 1 79 79 LEU H H 79 8.553 8.553 7.944 0.609 18484 6194 1 14 . 1 1 80 80 THR N N 80 123.276 123.276 119.577 3.699 18484 6195 1 14 . 1 1 80 80 THR HA H 80 5.096 5.096 4.733 0.363 18484 6196 1 14 . 1 1 80 80 THR CA C 80 60.231 60.231 61.102 -0.871 18484 6197 1 14 . 1 1 80 80 THR CB C 80 68.171 68.171 69.433 -1.262 18484 6198 1 14 . 1 1 80 80 THR H H 80 8.754 8.754 8.601 0.153 18484 6199 1 14 . 1 1 81 81 GLU N N 81 125.405 125.405 127.251 -1.846 18484 6200 1 14 . 1 1 81 81 GLU HA H 81 4.530 4.530 4.456 0.074 18484 6201 1 14 . 1 1 81 81 GLU CA C 81 55.372 55.372 55.963 -0.591 18484 6202 1 14 . 1 1 81 81 GLU CB C 81 32.374 32.374 31.140 1.234 18484 6203 1 14 . 1 1 81 81 GLU H H 81 8.615 8.615 8.183 0.432 18484 6204 1 14 . 1 1 82 82 ASN N N 82 124.375 124.375 120.628 3.747 18484 6205 1 14 . 1 1 82 82 ASN HA H 82 4.360 4.360 4.467 -0.107 18484 6206 1 14 . 1 1 82 82 ASN CA C 82 54.328 54.328 53.321 1.007 18484 6207 1 14 . 1 1 82 82 ASN CB C 82 37.432 37.432 38.278 -0.846 18484 6208 1 14 . 1 1 82 82 ASN H H 82 9.559 9.559 8.919 0.640 18484 6209 1 14 . 1 1 83 83 GLY N N 83 103.733 103.733 104.733 -1.000 18484 6210 1 14 . 1 1 83 83 GLY CA C 83 45.359 45.359 45.246 0.113 18484 6211 1 14 . 1 1 83 83 GLY H H 83 8.626 8.626 8.436 0.190 18484 6212 1 14 . 1 1 84 84 LYS N N 84 121.407 121.407 119.973 1.434 18484 6213 1 14 . 1 1 84 84 LYS HA H 84 4.698 4.698 4.537 0.161 18484 6214 1 14 . 1 1 84 84 LYS CA C 84 55.182 55.182 55.011 0.170 18484 6215 1 14 . 1 1 84 84 LYS CB C 84 34.807 34.807 35.412 -0.605 18484 6216 1 14 . 1 1 84 84 LYS H H 84 7.813 7.813 7.875 -0.062 18484 6217 1 14 . 1 1 85 85 THR N N 85 121.799 121.799 120.325 1.474 18484 6218 1 14 . 1 1 85 85 THR HA H 85 5.194 5.194 4.637 0.557 18484 6219 1 14 . 1 1 85 85 THR CA C 85 60.472 60.472 61.345 -0.873 18484 6220 1 14 . 1 1 85 85 THR CB C 85 69.134 69.134 68.679 0.455 18484 6221 1 14 . 1 1 85 85 THR H H 85 8.796 8.796 8.523 0.273 18484 6222 1 14 . 1 1 86 86 THR N N 86 122.071 122.071 118.807 3.264 18484 6223 1 14 . 1 1 86 86 THR HA H 86 4.535 4.535 4.561 -0.026 18484 6224 1 14 . 1 1 86 86 THR CA C 86 59.990 59.990 61.311 -1.321 18484 6225 1 14 . 1 1 86 86 THR CB C 86 69.856 69.856 69.801 0.055 18484 6226 1 14 . 1 1 86 86 THR H H 86 9.134 9.134 8.133 1.001 18484 6227 1 14 . 1 1 87 87 GLU N N 87 126.429 126.429 127.597 -1.168 18484 6228 1 14 . 1 1 87 87 GLU HA H 87 5.030 5.030 4.513 0.517 18484 6229 1 14 . 1 1 87 87 GLU CA C 87 55.029 55.029 55.904 -0.875 18484 6230 1 14 . 1 1 87 87 GLU CB C 87 31.746 31.746 29.816 1.930 18484 6231 1 14 . 1 1 87 87 GLU H H 87 8.905 8.905 8.779 0.126 18484 6232 1 14 . 1 1 88 88 THR N N 88 120.353 120.353 121.246 -0.893 18484 6233 1 14 . 1 1 88 88 THR HA H 88 4.450 4.450 4.548 -0.098 18484 6234 1 14 . 1 1 88 88 THR CA C 88 60.472 60.472 61.317 -0.845 18484 6235 1 14 . 1 1 88 88 THR CB C 88 70.646 70.646 69.637 1.009 18484 6236 1 14 . 1 1 88 88 THR H H 88 9.016 9.016 8.198 0.818 18484 6237 1 14 . 1 1 89 89 VAL N N 89 128.484 128.484 124.441 4.043 18484 6238 1 14 . 1 1 89 89 VAL HA H 89 3.978 3.978 3.834 0.144 18484 6239 1 14 . 1 1 89 89 VAL CA C 89 62.471 62.471 63.594 -1.123 18484 6240 1 14 . 1 1 89 89 VAL CB C 89 31.216 31.216 31.673 -0.457 18484 6241 1 14 . 1 1 89 89 VAL H H 89 9.054 9.054 8.728 0.326 18484 6242 1 14 . 1 1 90 90 LEU N N 90 130.587 130.587 126.566 4.021 18484 6243 1 14 . 1 1 90 90 LEU HA H 90 4.325 4.325 4.709 -0.384 18484 6244 1 14 . 1 1 90 90 LEU CA C 90 56.129 56.129 55.341 0.788 18484 6245 1 14 . 1 1 90 90 LEU CB C 90 42.958 42.958 43.214 -0.256 18484 6246 1 14 . 1 1 90 90 LEU H H 90 9.426 9.426 8.326 1.100 18484 6247 1 14 . 1 1 91 91 ASP N N 91 114.928 114.928 119.271 -4.343 18484 6248 1 14 . 1 1 91 91 ASP HA H 91 4.846 4.846 4.720 0.126 18484 6249 1 14 . 1 1 91 91 ASP CA C 91 53.688 53.688 53.154 0.534 18484 6250 1 14 . 1 1 91 91 ASP CB C 91 43.521 43.521 43.070 0.451 18484 6251 1 14 . 1 1 91 91 ASP H H 91 7.924 7.924 7.855 0.069 18484 6252 1 14 . 1 1 92 92 SER N N 92 117.203 117.203 116.520 0.683 18484 6253 1 14 . 1 1 92 92 SER HA H 92 5.519 5.519 3.124 2.395 18484 6254 1 14 . 1 1 92 92 SER CA C 92 56.622 56.622 56.407 0.215 18484 6255 1 14 . 1 1 92 92 SER CB C 92 63.359 63.359 65.608 -2.249 18484 6256 1 14 . 1 1 92 92 SER H H 92 8.376 8.376 8.077 0.299 18484 6257 1 14 . 1 1 93 93 GLN N N 93 122.058 122.058 119.077 2.981 18484 6258 1 14 . 1 1 93 93 GLN HA H 93 4.731 4.731 4.588 0.143 18484 6259 1 14 . 1 1 93 93 GLN CA C 93 54.781 54.781 53.675 1.106 18484 6260 1 14 . 1 1 93 93 GLN CB C 93 33.312 33.312 31.830 1.482 18484 6261 1 14 . 1 1 93 93 GLN H H 93 9.005 9.005 7.988 1.017 18484 6262 1 14 . 1 1 94 94 VAL N N 94 125.231 125.231 121.224 4.007 18484 6263 1 14 . 1 1 94 94 VAL HA H 94 4.233 4.233 4.076 0.157 18484 6264 1 14 . 1 1 94 94 VAL CA C 94 63.282 63.282 62.902 0.380 18484 6265 1 14 . 1 1 94 94 VAL CB C 94 30.906 30.906 31.585 -0.679 18484 6266 1 14 . 1 1 94 94 VAL H H 94 9.085 9.085 8.589 0.496 18484 6267 1 14 . 1 1 95 95 THR N N 95 121.170 121.170 120.683 0.487 18484 6268 1 14 . 1 1 95 95 THR HA H 95 4.384 4.384 4.584 -0.200 18484 6269 1 14 . 1 1 95 95 THR CA C 95 60.953 60.953 60.582 0.371 18484 6270 1 14 . 1 1 95 95 THR CB C 95 68.653 68.653 68.424 0.230 18484 6271 1 14 . 1 1 95 95 THR H H 95 8.521 8.521 8.253 0.268 18484 6272 1 14 . 1 1 96 96 LYS N N 96 123.236 123.236 122.220 1.016 18484 6273 1 14 . 1 1 96 96 LYS HA H 96 4.418 4.418 4.189 0.229 18484 6274 1 14 . 1 1 96 96 LYS CA C 96 56.418 56.418 57.215 -0.797 18484 6275 1 14 . 1 1 96 96 LYS CB C 96 35.690 35.690 33.326 2.364 18484 6276 1 14 . 1 1 96 96 LYS H H 96 7.912 7.912 8.287 -0.375 18484 6277 1 14 . 1 1 97 97 GLU N N 97 125.835 125.835 120.127 5.708 18484 6278 1 14 . 1 1 97 97 GLU HA H 97 4.151 4.151 4.134 0.017 18484 6279 1 14 . 1 1 97 97 GLU CA C 97 56.412 56.412 56.543 -0.131 18484 6280 1 14 . 1 1 97 97 GLU CB C 97 29.948 29.948 29.551 0.397 18484 6281 1 14 . 1 1 97 97 GLU H H 97 8.665 8.665 8.064 0.601 18484 6282 1 14 . 1 1 98 98 VAL N N 98 122.204 122.204 124.282 -2.078 18484 6283 1 14 . 1 1 98 98 VAL HA H 98 3.915 3.915 4.170 -0.255 18484 6284 1 14 . 1 1 98 98 VAL CA C 98 60.208 60.208 62.662 -2.454 18484 6285 1 14 . 1 1 98 98 VAL CB C 98 33.692 33.692 32.278 1.414 18484 6286 1 14 . 1 1 98 98 VAL H H 98 8.339 8.339 8.378 -0.039 18484 6287 1 14 . 1 1 99 99 ILE N N 99 127.874 127.874 129.409 -1.535 18484 6288 1 14 . 1 1 99 99 ILE HA H 99 4.197 4.197 3.942 0.255 18484 6289 1 14 . 1 1 99 99 ILE CA C 99 60.606 60.606 62.295 -1.689 18484 6290 1 14 . 1 1 99 99 ILE CB C 99 39.186 39.186 38.510 0.676 18484 6291 1 14 . 1 1 99 99 ILE H H 99 8.608 8.608 7.826 0.782 18484 6292 1 14 . 1 1 100 100 ASN N N 100 123.343 123.343 124.727 -1.384 18484 6293 1 14 . 1 1 100 100 ASN HA H 100 4.914 4.914 4.780 0.134 18484 6294 1 14 . 1 1 100 100 ASN CA C 100 53.704 53.704 51.815 1.889 18484 6295 1 14 . 1 1 100 100 ASN CB C 100 37.731 37.731 39.971 -2.240 18484 6296 1 14 . 1 1 100 100 ASN H H 100 8.446 8.446 8.322 0.124 18484 6297 1 14 . 1 1 101 101 GLN N N 101 120.980 120.980 122.312 -1.332 18484 6298 1 14 . 1 1 101 101 GLN HA H 101 4.325 4.325 4.283 0.042 18484 6299 1 14 . 1 1 101 101 GLN CA C 101 54.659 54.659 55.965 -1.306 18484 6300 1 14 . 1 1 101 101 GLN CB C 101 31.616 31.616 28.720 2.896 18484 6301 1 14 . 1 1 101 101 GLN H H 101 8.254 8.254 8.654 -0.400 18484 6302 1 14 . 1 1 102 102 VAL N N 102 127.057 127.057 127.728 -0.671 18484 6303 1 14 . 1 1 102 102 VAL HA H 102 4.965 4.965 4.087 0.878 18484 6304 1 14 . 1 1 102 102 VAL CA C 102 60.264 60.264 62.143 -1.879 18484 6305 1 14 . 1 1 102 102 VAL CB C 102 33.626 33.626 32.209 1.417 18484 6306 1 14 . 1 1 102 102 VAL H H 102 8.742 8.742 8.951 -0.209 18484 6307 1 14 . 1 1 103 103 VAL N N 103 127.794 127.794 127.676 0.118 18484 6308 1 14 . 1 1 103 103 VAL HA H 103 4.812 4.812 5.003 -0.191 18484 6309 1 14 . 1 1 103 103 VAL CA C 103 58.547 58.547 60.197 -1.650 18484 6310 1 14 . 1 1 103 103 VAL CB C 103 35.718 35.718 35.673 0.045 18484 6311 1 14 . 1 1 103 103 VAL H H 103 9.160 9.160 8.334 0.826 18484 6312 1 14 . 1 1 104 104 GLU N N 104 125.160 125.160 128.827 -3.667 18484 6313 1 14 . 1 1 104 104 GLU HA H 104 5.513 5.513 4.608 0.905 18484 6314 1 14 . 1 1 104 104 GLU CA C 104 53.721 53.721 54.949 -1.228 18484 6315 1 14 . 1 1 104 104 GLU CB C 104 32.383 32.383 30.537 1.846 18484 6316 1 14 . 1 1 104 104 GLU H H 104 9.085 9.085 8.134 0.951 18484 6317 1 14 . 1 1 105 105 VAL N N 105 117.602 117.602 126.150 -8.548 18484 6318 1 14 . 1 1 105 105 VAL HA H 105 5.241 5.241 4.729 0.512 18484 6319 1 14 . 1 1 105 105 VAL CA C 105 57.055 57.055 61.052 -3.997 18484 6320 1 14 . 1 1 105 105 VAL CB C 105 35.204 35.204 32.125 3.079 18484 6321 1 14 . 1 1 105 105 VAL H H 105 8.536 8.536 8.106 0.430 18484 6322 1 14 . 1 1 106 106 GLY N N 106 111.023 111.023 116.368 -5.345 18484 6323 1 14 . 1 1 106 106 GLY CA C 106 46.117 46.117 44.653 1.464 18484 6324 1 14 . 1 1 106 106 GLY H H 106 8.635 8.635 8.212 0.423 18484 6325 1 14 . 1 1 107 107 ALA N N 107 127.369 127.369 126.928 0.441 18484 6326 1 14 . 1 1 107 107 ALA HA H 107 4.515 4.515 4.295 0.220 18484 6327 1 14 . 1 1 107 107 ALA CA C 107 50.477 50.477 50.504 -0.027 18484 6328 1 14 . 1 1 107 107 ALA CB C 107 19.924 19.924 17.644 2.280 18484 6329 1 14 . 1 1 107 107 ALA H H 107 7.929 7.929 8.125 -0.196 18484 6330 1 14 . 1 1 108 108 PRO HA H 108 4.494 4.494 4.588 -0.094 18484 6331 1 14 . 1 1 108 108 PRO CA C 108 61.698 61.698 62.508 -0.810 18484 6332 1 14 . 1 1 108 108 PRO CB C 108 31.900 31.900 32.348 -0.448 18484 6333 1 14 . 1 1 109 109 VAL N N 109 119.821 119.821 118.408 1.413 18484 6334 1 14 . 1 1 109 109 VAL HA H 109 4.092 4.092 4.327 -0.235 18484 6335 1 14 . 1 1 109 109 VAL CA C 109 60.949 60.949 61.021 -0.072 18484 6336 1 14 . 1 1 109 109 VAL CB C 109 32.389 32.389 33.993 -1.604 18484 6337 1 14 . 1 1 109 109 VAL H H 109 8.303 8.303 8.004 0.299 18484 6338 1 14 . 1 1 110 110 THR N N 110 118.171 118.171 122.148 -3.977 18484 6339 1 14 . 1 1 110 110 THR HA H 110 4.338 4.338 4.405 -0.067 18484 6340 1 14 . 1 1 110 110 THR CA C 110 59.028 59.028 62.319 -3.291 18484 6341 1 14 . 1 1 110 110 THR CB C 110 67.676 67.676 68.840 -1.164 18484 6342 1 14 . 1 1 110 110 THR H H 110 8.209 8.209 8.407 -0.198 18484 6343 1 15 . 1 1 2 2 GLY N N 2 110.403 110.403 109.854 0.549 18484 6344 1 15 . 1 1 2 2 GLY H H 2 8.459 8.459 8.338 0.121 18484 6345 1 15 . 1 1 10 10 SER HA H 10 4.435 4.435 4.258 0.177 18484 6346 1 15 . 1 1 11 11 SER CA C 11 57.649 57.649 57.977 -0.328 18484 6347 1 15 . 1 1 11 11 SER CB C 11 62.672 62.672 63.646 -0.974 18484 6348 1 15 . 1 1 12 12 GLY N N 12 110.471 110.471 115.744 -5.273 18484 6349 1 15 . 1 1 12 12 GLY CA C 12 45.312 45.312 44.827 0.485 18484 6350 1 15 . 1 1 12 12 GLY H H 12 8.365 8.365 8.641 -0.276 18484 6351 1 15 . 1 1 13 13 LEU N N 13 121.432 121.432 121.163 0.269 18484 6352 1 15 . 1 1 13 13 LEU HA H 13 4.327 4.327 4.592 -0.265 18484 6353 1 15 . 1 1 13 13 LEU CA C 13 55.573 55.573 54.076 1.497 18484 6354 1 15 . 1 1 13 13 LEU CB C 13 42.428 42.428 44.278 -1.850 18484 6355 1 15 . 1 1 13 13 LEU H H 13 8.024 8.024 8.064 -0.040 18484 6356 1 15 . 1 1 14 14 VAL N N 14 122.309 122.309 119.429 2.880 18484 6357 1 15 . 1 1 14 14 VAL H H 14 8.062 8.062 8.275 -0.213 18484 6358 1 15 . 1 1 16 16 ARG N N 16 121.951 121.951 119.637 2.314 18484 6359 1 15 . 1 1 16 16 ARG HA H 16 4.312 4.312 4.120 0.192 18484 6360 1 15 . 1 1 16 16 ARG CA C 16 56.102 56.102 56.640 -0.538 18484 6361 1 15 . 1 1 16 16 ARG CB C 16 30.891 30.891 29.394 1.497 18484 6362 1 15 . 1 1 16 16 ARG H H 16 8.465 8.465 8.348 0.117 18484 6363 1 15 . 1 1 20 20 MET HA H 20 4.435 4.435 4.461 -0.026 18484 6364 1 15 . 1 1 20 20 MET CA C 20 55.500 55.500 55.559 -0.059 18484 6365 1 15 . 1 1 20 20 MET CB C 20 32.070 32.070 32.605 -0.535 18484 6366 1 15 . 1 1 21 21 SER N N 21 117.005 117.005 113.899 3.106 18484 6367 1 15 . 1 1 21 21 SER HA H 21 4.435 4.435 4.628 -0.193 18484 6368 1 15 . 1 1 21 21 SER CA C 21 57.066 57.066 57.707 -0.641 18484 6369 1 15 . 1 1 21 21 SER CB C 21 62.566 62.566 65.488 -2.922 18484 6370 1 15 . 1 1 21 21 SER H H 21 8.332 8.332 7.809 0.523 18484 6371 1 15 . 1 1 22 22 LEU N N 22 124.083 124.083 120.182 3.901 18484 6372 1 15 . 1 1 22 22 LEU HA H 22 4.348 4.348 4.702 -0.354 18484 6373 1 15 . 1 1 22 22 LEU CA C 22 55.471 55.471 55.917 -0.446 18484 6374 1 15 . 1 1 22 22 LEU CB C 22 42.322 42.322 42.614 -0.292 18484 6375 1 15 . 1 1 22 22 LEU H H 22 8.340 8.340 8.380 -0.040 18484 6376 1 15 . 1 1 23 23 ASP N N 23 120.867 120.867 117.783 3.084 18484 6377 1 15 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.731 -0.165 18484 6378 1 15 . 1 1 23 23 ASP CA C 23 54.687 54.687 53.744 0.943 18484 6379 1 15 . 1 1 23 23 ASP CB C 23 41.553 41.553 41.270 0.283 18484 6380 1 15 . 1 1 23 23 ASP H H 23 8.312 8.312 7.821 0.491 18484 6381 1 15 . 1 1 24 24 GLU N N 24 121.470 121.470 118.327 3.143 18484 6382 1 15 . 1 1 24 24 GLU HA H 24 4.566 4.566 4.559 0.007 18484 6383 1 15 . 1 1 24 24 GLU CA C 24 56.921 56.921 55.999 0.922 18484 6384 1 15 . 1 1 24 24 GLU CB C 24 30.015 30.015 33.016 -3.001 18484 6385 1 15 . 1 1 24 24 GLU H H 24 8.411 8.411 8.462 -0.051 18484 6386 1 15 . 1 1 25 25 ASN N N 25 118.582 118.582 119.203 -0.621 18484 6387 1 15 . 1 1 25 25 ASN HA H 25 4.707 4.707 4.752 -0.045 18484 6388 1 15 . 1 1 25 25 ASN CA C 25 53.593 53.593 53.109 0.484 18484 6389 1 15 . 1 1 25 25 ASN CB C 25 39.188 39.188 38.971 0.217 18484 6390 1 15 . 1 1 25 25 ASN H H 25 8.436 8.436 8.395 0.041 18484 6391 1 15 . 1 1 26 26 GLU N N 26 121.262 121.262 119.396 1.866 18484 6392 1 15 . 1 1 26 26 GLU HA H 26 4.247 4.247 4.592 -0.345 18484 6393 1 15 . 1 1 26 26 GLU CA C 26 56.310 56.310 55.395 0.915 18484 6394 1 15 . 1 1 26 26 GLU CB C 26 30.342 30.342 31.578 -1.236 18484 6395 1 15 . 1 1 26 26 GLU H H 26 8.196 8.196 7.724 0.472 18484 6396 1 15 . 1 1 27 27 VAL N N 27 121.381 121.381 120.863 0.518 18484 6397 1 15 . 1 1 27 27 VAL HA H 27 4.036 4.036 3.551 0.485 18484 6398 1 15 . 1 1 27 27 VAL CA C 27 62.396 62.396 63.627 -1.231 18484 6399 1 15 . 1 1 27 27 VAL CB C 27 32.770 32.770 31.356 1.414 18484 6400 1 15 . 1 1 27 27 VAL H H 27 8.092 8.092 8.642 -0.550 18484 6401 1 15 . 1 1 28 28 ALA N N 28 127.549 127.549 123.956 3.593 18484 6402 1 15 . 1 1 28 28 ALA HA H 28 4.300 4.300 3.956 0.344 18484 6403 1 15 . 1 1 28 28 ALA CA C 28 52.388 52.388 52.651 -0.264 18484 6404 1 15 . 1 1 28 28 ALA CB C 28 20.383 20.383 18.497 1.885 18484 6405 1 15 . 1 1 28 28 ALA H H 28 8.280 8.280 8.135 0.145 18484 6406 1 15 . 1 1 29 29 ALA N N 29 122.963 122.963 122.744 0.219 18484 6407 1 15 . 1 1 29 29 ALA HA H 29 4.257 4.257 3.955 0.302 18484 6408 1 15 . 1 1 29 29 ALA CA C 29 52.737 52.737 52.170 0.567 18484 6409 1 15 . 1 1 29 29 ALA CB C 29 20.585 20.585 18.419 2.166 18484 6410 1 15 . 1 1 29 29 ALA H H 29 8.182 8.182 8.634 -0.452 18484 6411 1 15 . 1 1 30 30 ASN N N 30 117.863 117.863 118.390 -0.527 18484 6412 1 15 . 1 1 30 30 ASN HA H 30 4.697 4.697 4.426 0.271 18484 6413 1 15 . 1 1 30 30 ASN CA C 30 53.107 53.107 53.857 -0.750 18484 6414 1 15 . 1 1 30 30 ASN CB C 30 38.876 38.876 39.157 -0.281 18484 6415 1 15 . 1 1 30 30 ASN H H 30 8.323 8.323 8.481 -0.158 18484 6416 1 15 . 1 1 31 31 VAL N N 31 120.074 120.074 116.658 3.416 18484 6417 1 15 . 1 1 31 31 VAL HA H 31 4.131 4.131 4.510 -0.379 18484 6418 1 15 . 1 1 31 31 VAL CA C 31 60.983 60.983 61.097 -0.114 18484 6419 1 15 . 1 1 31 31 VAL CB C 31 32.827 32.827 33.496 -0.669 18484 6420 1 15 . 1 1 31 31 VAL H H 31 8.041 8.041 8.104 -0.063 18484 6421 1 15 . 1 1 32 32 GLU N N 32 124.378 124.378 119.680 4.698 18484 6422 1 15 . 1 1 32 32 GLU HA H 32 4.339 4.339 4.655 -0.316 18484 6423 1 15 . 1 1 32 32 GLU CA C 32 56.728 56.728 55.463 1.265 18484 6424 1 15 . 1 1 32 32 GLU CB C 32 30.439 30.439 31.876 -1.437 18484 6425 1 15 . 1 1 32 32 GLU H H 32 8.487 8.487 8.436 0.051 18484 6426 1 15 . 1 1 33 33 THR N N 33 116.772 116.772 115.732 1.040 18484 6427 1 15 . 1 1 33 33 THR HA H 33 4.312 4.312 4.413 -0.101 18484 6428 1 15 . 1 1 33 33 THR CA C 33 60.472 60.472 62.220 -1.748 18484 6429 1 15 . 1 1 33 33 THR CB C 33 68.412 68.412 69.451 -1.038 18484 6430 1 15 . 1 1 33 33 THR H H 33 8.224 8.224 8.547 -0.323 18484 6431 1 15 . 1 1 34 34 ARG N N 34 124.955 124.955 119.511 5.444 18484 6432 1 15 . 1 1 34 34 ARG HA H 34 4.732 4.732 4.130 0.602 18484 6433 1 15 . 1 1 34 34 ARG CA C 34 53.635 53.635 55.820 -2.185 18484 6434 1 15 . 1 1 34 34 ARG CB C 34 30.581 30.581 28.543 2.038 18484 6435 1 15 . 1 1 34 34 ARG H H 34 8.438 8.438 8.395 0.043 18484 6436 1 15 . 1 1 35 35 PRO HA H 35 4.667 4.667 4.375 0.292 18484 6437 1 15 . 1 1 35 35 PRO CA C 35 61.995 61.995 64.120 -2.125 18484 6438 1 15 . 1 1 35 35 PRO CB C 35 32.459 32.459 32.300 0.159 18484 6439 1 15 . 1 1 36 36 GLU N N 36 121.398 121.398 118.119 3.279 18484 6440 1 15 . 1 1 36 36 GLU HA H 36 4.509 4.509 4.616 -0.107 18484 6441 1 15 . 1 1 36 36 GLU CA C 36 55.563 55.563 56.143 -0.580 18484 6442 1 15 . 1 1 36 36 GLU CB C 36 31.628 31.628 31.655 -0.027 18484 6443 1 15 . 1 1 36 36 GLU H H 36 8.663 8.663 8.500 0.163 18484 6444 1 15 . 1 1 37 37 LEU N N 37 125.233 125.233 125.783 -0.550 18484 6445 1 15 . 1 1 37 37 LEU HA H 37 5.240 5.240 4.464 0.776 18484 6446 1 15 . 1 1 37 37 LEU CA C 37 54.120 54.120 55.016 -0.896 18484 6447 1 15 . 1 1 37 37 LEU CB C 37 42.407 42.407 41.731 0.676 18484 6448 1 15 . 1 1 37 37 LEU H H 37 8.352 8.352 8.618 -0.266 18484 6449 1 15 . 1 1 38 38 ILE N N 38 121.904 121.904 122.000 -0.096 18484 6450 1 15 . 1 1 38 38 ILE HA H 38 4.775 4.775 4.751 0.024 18484 6451 1 15 . 1 1 38 38 ILE CA C 38 58.065 58.065 59.675 -1.610 18484 6452 1 15 . 1 1 38 38 ILE CB C 38 41.790 41.790 39.486 2.304 18484 6453 1 15 . 1 1 38 38 ILE H H 38 9.224 9.224 8.347 0.877 18484 6454 1 15 . 1 1 39 39 THR N N 39 111.692 111.692 110.295 1.397 18484 6455 1 15 . 1 1 39 39 THR HA H 39 5.443 5.443 5.184 0.259 18484 6456 1 15 . 1 1 39 39 THR CA C 39 57.825 57.825 60.955 -3.130 18484 6457 1 15 . 1 1 39 39 THR CB C 39 70.337 70.337 71.147 -0.810 18484 6458 1 15 . 1 1 39 39 THR H H 39 8.077 8.077 8.142 -0.065 18484 6459 1 15 . 1 1 40 40 ARG N N 40 121.666 121.666 121.587 0.079 18484 6460 1 15 . 1 1 40 40 ARG HA H 40 4.707 4.707 4.857 -0.150 18484 6461 1 15 . 1 1 40 40 ARG CA C 40 55.674 55.674 55.231 0.443 18484 6462 1 15 . 1 1 40 40 ARG CB C 40 34.932 34.932 33.725 1.207 18484 6463 1 15 . 1 1 40 40 ARG H H 40 8.558 8.558 9.133 -0.575 18484 6464 1 15 . 1 1 41 41 THR N N 41 115.335 115.335 112.670 2.665 18484 6465 1 15 . 1 1 41 41 THR HA H 41 5.345 5.345 5.330 0.015 18484 6466 1 15 . 1 1 41 41 THR CA C 41 59.028 59.028 61.139 -2.111 18484 6467 1 15 . 1 1 41 41 THR CB C 41 70.332 70.332 71.778 -1.446 18484 6468 1 15 . 1 1 41 41 THR H H 41 8.532 8.532 8.258 0.274 18484 6469 1 15 . 1 1 42 42 GLU N N 42 122.278 122.278 125.047 -2.769 18484 6470 1 15 . 1 1 42 42 GLU HA H 42 4.705 4.705 4.448 0.257 18484 6471 1 15 . 1 1 42 42 GLU CA C 42 54.318 54.318 54.438 -0.120 18484 6472 1 15 . 1 1 42 42 GLU CB C 42 33.984 33.984 31.069 2.915 18484 6473 1 15 . 1 1 42 42 GLU H H 42 9.049 9.049 8.953 0.096 18484 6474 1 15 . 1 1 43 43 GLU N N 43 122.782 122.782 123.185 -0.403 18484 6475 1 15 . 1 1 43 43 GLU HA H 43 4.659 4.659 4.226 0.433 18484 6476 1 15 . 1 1 43 43 GLU CA C 43 56.074 56.074 56.784 -0.710 18484 6477 1 15 . 1 1 43 43 GLU CB C 43 31.559 31.559 28.671 2.888 18484 6478 1 15 . 1 1 43 43 GLU H H 43 8.722 8.722 8.595 0.127 18484 6479 1 15 . 1 1 44 44 ILE N N 44 123.255 123.255 127.155 -3.900 18484 6480 1 15 . 1 1 44 44 ILE HA H 44 4.557 4.557 4.472 0.085 18484 6481 1 15 . 1 1 44 44 ILE CA C 44 55.622 55.622 58.147 -2.525 18484 6482 1 15 . 1 1 44 44 ILE CB C 44 40.902 40.902 38.925 1.977 18484 6483 1 15 . 1 1 44 44 ILE H H 44 7.740 7.740 7.759 -0.019 18484 6484 1 15 . 1 1 45 45 PRO HA H 45 4.177 4.177 4.551 -0.374 18484 6485 1 15 . 1 1 45 45 PRO CA C 45 61.978 61.978 62.335 -0.357 18484 6486 1 15 . 1 1 45 45 PRO CB C 45 32.314 32.314 32.305 0.009 18484 6487 1 15 . 1 1 46 46 PHE N N 46 114.670 114.670 118.212 -3.542 18484 6488 1 15 . 1 1 46 46 PHE HA H 46 4.913 4.913 4.682 0.231 18484 6489 1 15 . 1 1 46 46 PHE CA C 46 54.749 54.749 56.571 -1.822 18484 6490 1 15 . 1 1 46 46 PHE CB C 46 42.057 42.057 40.490 1.567 18484 6491 1 15 . 1 1 46 46 PHE H H 46 6.912 6.912 8.016 -1.104 18484 6492 1 15 . 1 1 47 47 GLU N N 47 120.217 120.217 120.792 -0.575 18484 6493 1 15 . 1 1 47 47 GLU HA H 47 4.600 4.600 4.421 0.179 18484 6494 1 15 . 1 1 47 47 GLU CA C 47 54.771 54.771 55.829 -1.058 18484 6495 1 15 . 1 1 47 47 GLU CB C 47 32.338 32.338 32.391 -0.053 18484 6496 1 15 . 1 1 47 47 GLU H H 47 8.271 8.271 8.691 -0.420 18484 6497 1 15 . 1 1 48 48 VAL N N 48 121.331 121.331 123.583 -2.252 18484 6498 1 15 . 1 1 48 48 VAL HA H 48 4.734 4.734 4.271 0.463 18484 6499 1 15 . 1 1 48 48 VAL CA C 48 61.472 61.472 62.469 -0.997 18484 6500 1 15 . 1 1 48 48 VAL CB C 48 32.699 32.699 32.250 0.449 18484 6501 1 15 . 1 1 48 48 VAL H H 48 8.625 8.625 8.381 0.244 18484 6502 1 15 . 1 1 49 49 ILE N N 49 132.310 132.310 124.343 7.967 18484 6503 1 15 . 1 1 49 49 ILE HA H 49 4.205 4.205 4.476 -0.271 18484 6504 1 15 . 1 1 49 49 ILE CA C 49 58.886 58.886 58.337 0.549 18484 6505 1 15 . 1 1 49 49 ILE CB C 49 39.037 39.037 40.475 -1.438 18484 6506 1 15 . 1 1 49 49 ILE H H 49 9.505 9.505 7.918 1.587 18484 6507 1 15 . 1 1 50 50 LYS N N 50 125.764 125.764 122.896 2.868 18484 6508 1 15 . 1 1 50 50 LYS HA H 50 5.284 5.284 4.439 0.845 18484 6509 1 15 . 1 1 50 50 LYS CA C 50 54.802 54.802 55.691 -0.889 18484 6510 1 15 . 1 1 50 50 LYS CB C 50 34.186 34.186 32.453 1.733 18484 6511 1 15 . 1 1 50 50 LYS H H 50 8.507 8.507 8.318 0.189 18484 6512 1 15 . 1 1 51 51 LYS N N 51 124.935 124.935 125.836 -0.901 18484 6513 1 15 . 1 1 51 51 LYS HA H 51 4.608 4.608 4.472 0.136 18484 6514 1 15 . 1 1 51 51 LYS CA C 51 54.006 54.006 55.548 -1.542 18484 6515 1 15 . 1 1 51 51 LYS CB C 51 34.756 34.756 35.206 -0.450 18484 6516 1 15 . 1 1 51 51 LYS H H 51 9.066 9.066 8.194 0.872 18484 6517 1 15 . 1 1 52 52 GLU N N 52 124.186 124.186 122.989 1.197 18484 6518 1 15 . 1 1 52 52 GLU HA H 52 4.621 4.621 5.197 -0.576 18484 6519 1 15 . 1 1 52 52 GLU CA C 52 55.931 55.931 55.595 0.336 18484 6520 1 15 . 1 1 52 52 GLU CB C 52 31.036 31.036 31.463 -0.427 18484 6521 1 15 . 1 1 52 52 GLU H H 52 8.777 8.777 8.571 0.206 18484 6522 1 15 . 1 1 53 53 ASN N N 53 121.687 121.687 123.723 -2.036 18484 6523 1 15 . 1 1 53 53 ASN HA H 53 5.240 5.240 5.267 -0.027 18484 6524 1 15 . 1 1 53 53 ASN CA C 53 49.409 49.409 49.493 -0.084 18484 6525 1 15 . 1 1 53 53 ASN CB C 53 40.473 40.473 40.374 0.099 18484 6526 1 15 . 1 1 53 53 ASN H H 53 8.890 8.890 8.765 0.125 18484 6527 1 15 . 1 1 54 54 PRO HA H 54 4.587 4.587 4.539 0.048 18484 6528 1 15 . 1 1 54 54 PRO CA C 54 62.650 62.650 63.952 -1.302 18484 6529 1 15 . 1 1 54 54 PRO CB C 54 32.219 32.219 32.092 0.127 18484 6530 1 15 . 1 1 55 55 ASN N N 55 115.629 115.629 116.854 -1.225 18484 6531 1 15 . 1 1 55 55 ASN HA H 55 4.695 4.695 4.481 0.214 18484 6532 1 15 . 1 1 55 55 ASN CA C 55 53.685 53.685 54.729 -1.044 18484 6533 1 15 . 1 1 55 55 ASN CB C 55 39.137 39.137 37.977 1.161 18484 6534 1 15 . 1 1 55 55 ASN H H 55 8.422 8.422 8.439 -0.017 18484 6535 1 15 . 1 1 56 56 LEU N N 56 121.277 121.277 119.328 1.949 18484 6536 1 15 . 1 1 56 56 LEU HA H 56 4.686 4.686 4.305 0.381 18484 6537 1 15 . 1 1 56 56 LEU CA C 56 52.145 52.145 54.217 -2.072 18484 6538 1 15 . 1 1 56 56 LEU CB C 56 42.456 42.456 41.884 0.572 18484 6539 1 15 . 1 1 56 56 LEU H H 56 7.278 7.278 7.560 -0.282 18484 6540 1 15 . 1 1 57 57 PRO HA H 57 4.298 4.298 4.420 -0.122 18484 6541 1 15 . 1 1 57 57 PRO CA C 57 61.332 61.332 62.555 -1.223 18484 6542 1 15 . 1 1 57 57 PRO CB C 57 32.232 32.232 31.174 1.058 18484 6543 1 15 . 1 1 58 58 ALA N N 58 123.896 123.896 119.979 3.917 18484 6544 1 15 . 1 1 58 58 ALA HA H 58 3.892 3.892 3.929 -0.037 18484 6545 1 15 . 1 1 58 58 ALA CA C 58 53.559 53.559 52.498 1.061 18484 6546 1 15 . 1 1 58 58 ALA CB C 58 19.480 19.480 18.563 0.917 18484 6547 1 15 . 1 1 58 58 ALA H H 58 8.263 8.263 7.489 0.774 18484 6548 1 15 . 1 1 59 59 GLY N N 59 110.843 110.843 108.891 1.952 18484 6549 1 15 . 1 1 59 59 GLY CA C 59 45.339 45.339 45.348 -0.009 18484 6550 1 15 . 1 1 59 59 GLY H H 59 8.755 8.755 8.272 0.483 18484 6551 1 15 . 1 1 60 60 GLN N N 60 121.444 121.444 121.606 -0.162 18484 6552 1 15 . 1 1 60 60 GLN HA H 60 4.251 4.251 4.271 -0.020 18484 6553 1 15 . 1 1 60 60 GLN CA C 60 56.080 56.080 56.164 -0.084 18484 6554 1 15 . 1 1 60 60 GLN CB C 60 29.876 29.876 29.356 0.520 18484 6555 1 15 . 1 1 60 60 GLN H H 60 7.877 7.877 8.064 -0.187 18484 6556 1 15 . 1 1 61 61 GLU N N 61 123.364 123.364 125.640 -2.276 18484 6557 1 15 . 1 1 61 61 GLU HA H 61 5.241 5.241 4.379 0.862 18484 6558 1 15 . 1 1 61 61 GLU CA C 61 55.012 55.012 55.797 -0.785 18484 6559 1 15 . 1 1 61 61 GLU CB C 61 32.368 32.368 31.838 0.530 18484 6560 1 15 . 1 1 61 61 GLU H H 61 8.419 8.419 8.474 -0.055 18484 6561 1 15 . 1 1 62 62 ASN N N 62 121.499 121.499 120.515 0.984 18484 6562 1 15 . 1 1 62 62 ASN HA H 62 5.078 5.078 4.841 0.237 18484 6563 1 15 . 1 1 62 62 ASN CA C 62 51.617 51.617 52.684 -1.067 18484 6564 1 15 . 1 1 62 62 ASN CB C 62 40.999 40.999 40.306 0.693 18484 6565 1 15 . 1 1 62 62 ASN H H 62 9.164 9.164 8.495 0.669 18484 6566 1 15 . 1 1 63 63 ILE N N 63 125.976 125.976 126.823 -0.847 18484 6567 1 15 . 1 1 63 63 ILE HA H 63 3.979 3.979 4.868 -0.889 18484 6568 1 15 . 1 1 63 63 ILE CA C 63 61.650 61.650 61.357 0.293 18484 6569 1 15 . 1 1 63 63 ILE CB C 63 37.404 37.404 38.889 -1.485 18484 6570 1 15 . 1 1 63 63 ILE H H 63 9.032 9.032 8.640 0.392 18484 6571 1 15 . 1 1 64 64 ILE N N 64 130.073 130.073 126.232 3.841 18484 6572 1 15 . 1 1 64 64 ILE HA H 64 4.139 4.139 4.367 -0.228 18484 6573 1 15 . 1 1 64 64 ILE CA C 64 60.699 60.699 61.032 -0.333 18484 6574 1 15 . 1 1 64 64 ILE CB C 64 38.029 38.029 38.817 -0.788 18484 6575 1 15 . 1 1 64 64 ILE H H 64 8.876 8.876 9.151 -0.275 18484 6576 1 15 . 1 1 65 65 THR N N 65 116.771 116.771 116.430 0.341 18484 6577 1 15 . 1 1 65 65 THR HA H 65 4.349 4.349 4.430 -0.081 18484 6578 1 15 . 1 1 65 65 THR CA C 65 60.066 60.066 61.475 -1.409 18484 6579 1 15 . 1 1 65 65 THR CB C 65 71.059 71.059 70.905 0.154 18484 6580 1 15 . 1 1 65 65 THR H H 65 7.699 7.699 7.438 0.261 18484 6581 1 15 . 1 1 66 66 ALA N N 66 130.117 130.117 129.124 0.993 18484 6582 1 15 . 1 1 66 66 ALA HA H 66 3.928 3.928 4.068 -0.140 18484 6583 1 15 . 1 1 66 66 ALA CA C 66 51.617 51.617 52.600 -0.983 18484 6584 1 15 . 1 1 66 66 ALA CB C 66 19.653 19.653 19.243 0.410 18484 6585 1 15 . 1 1 66 66 ALA H H 66 8.579 8.579 8.328 0.251 18484 6586 1 15 . 1 1 67 67 GLY N N 67 107.619 107.619 110.923 -3.304 18484 6587 1 15 . 1 1 67 67 GLY CA C 67 43.606 43.606 44.106 -0.500 18484 6588 1 15 . 1 1 67 67 GLY H H 67 8.387 8.387 8.126 0.261 18484 6589 1 15 . 1 1 68 68 VAL N N 68 123.776 123.776 124.120 -0.344 18484 6590 1 15 . 1 1 68 68 VAL HA H 68 4.124 4.124 4.208 -0.084 18484 6591 1 15 . 1 1 68 68 VAL CA C 68 60.443 60.443 60.357 0.086 18484 6592 1 15 . 1 1 68 68 VAL CB C 68 34.972 34.972 35.708 -0.736 18484 6593 1 15 . 1 1 68 68 VAL H H 68 8.966 8.966 8.210 0.756 18484 6594 1 15 . 1 1 69 69 LYS N N 69 125.803 125.803 126.038 -0.235 18484 6595 1 15 . 1 1 69 69 LYS HA H 69 4.448 4.448 4.362 0.086 18484 6596 1 15 . 1 1 69 69 LYS CA C 69 57.012 57.012 57.273 -0.261 18484 6597 1 15 . 1 1 69 69 LYS CB C 69 33.410 33.410 31.613 1.797 18484 6598 1 15 . 1 1 69 69 LYS H H 69 8.799 8.799 8.802 -0.003 18484 6599 1 15 . 1 1 70 70 GLY N N 70 108.188 108.188 113.962 -5.774 18484 6600 1 15 . 1 1 70 70 GLY CA C 70 43.549 43.549 44.872 -1.323 18484 6601 1 15 . 1 1 70 70 GLY H H 70 8.858 8.858 8.251 0.607 18484 6602 1 15 . 1 1 71 71 GLU N N 71 123.030 123.030 120.033 2.997 18484 6603 1 15 . 1 1 71 71 GLU HA H 71 5.059 5.059 4.644 0.415 18484 6604 1 15 . 1 1 71 71 GLU CA C 71 56.146 56.146 56.428 -0.282 18484 6605 1 15 . 1 1 71 71 GLU CB C 71 36.142 36.142 31.750 4.392 18484 6606 1 15 . 1 1 71 71 GLU H H 71 9.538 9.538 8.290 1.248 18484 6607 1 15 . 1 1 72 72 ARG N N 72 126.426 126.426 126.403 0.023 18484 6608 1 15 . 1 1 72 72 ARG HA H 72 5.059 5.059 4.974 0.085 18484 6609 1 15 . 1 1 72 72 ARG CA C 72 54.001 54.001 54.715 -0.714 18484 6610 1 15 . 1 1 72 72 ARG CB C 72 33.500 33.500 32.160 1.340 18484 6611 1 15 . 1 1 72 72 ARG H H 72 9.191 9.191 8.052 1.139 18484 6612 1 15 . 1 1 73 73 THR N N 73 120.983 120.983 121.504 -0.521 18484 6613 1 15 . 1 1 73 73 THR HA H 73 4.522 4.522 4.966 -0.444 18484 6614 1 15 . 1 1 73 73 THR CA C 73 60.953 60.953 64.258 -3.305 18484 6615 1 15 . 1 1 73 73 THR CB C 73 68.412 68.412 69.872 -1.460 18484 6616 1 15 . 1 1 73 73 THR H H 73 9.249 9.249 8.550 0.699 18484 6617 1 15 . 1 1 74 74 HIS N N 74 125.685 125.685 124.355 1.330 18484 6618 1 15 . 1 1 74 74 HIS HA H 74 5.153 5.153 4.912 0.241 18484 6619 1 15 . 1 1 74 74 HIS CA C 74 54.487 54.487 55.096 -0.609 18484 6620 1 15 . 1 1 74 74 HIS CB C 74 32.997 32.997 32.345 0.652 18484 6621 1 15 . 1 1 74 74 HIS H H 74 9.056 9.056 9.364 -0.308 18484 6622 1 15 . 1 1 75 75 TYR N N 75 123.688 123.688 125.081 -1.393 18484 6623 1 15 . 1 1 75 75 TYR HA H 75 4.868 4.868 4.898 -0.030 18484 6624 1 15 . 1 1 75 75 TYR CA C 75 56.499 56.499 54.225 2.274 18484 6625 1 15 . 1 1 75 75 TYR CB C 75 38.425 38.425 36.651 1.774 18484 6626 1 15 . 1 1 75 75 TYR H H 75 8.945 8.945 8.274 0.671 18484 6627 1 15 . 1 1 76 76 ILE N N 76 125.717 125.717 123.778 1.939 18484 6628 1 15 . 1 1 76 76 ILE HA H 76 4.800 4.800 4.400 0.400 18484 6629 1 15 . 1 1 76 76 ILE CA C 76 58.787 58.787 60.122 -1.335 18484 6630 1 15 . 1 1 76 76 ILE CB C 76 42.034 42.034 39.806 2.228 18484 6631 1 15 . 1 1 76 76 ILE H H 76 9.079 9.079 8.489 0.590 18484 6632 1 15 . 1 1 77 77 SER N N 77 120.473 120.473 117.248 3.225 18484 6633 1 15 . 1 1 77 77 SER HA H 77 5.183 5.183 4.800 0.383 18484 6634 1 15 . 1 1 77 77 SER CA C 77 55.930 55.930 56.900 -0.970 18484 6635 1 15 . 1 1 77 77 SER CB C 77 63.118 63.118 64.196 -1.078 18484 6636 1 15 . 1 1 77 77 SER H H 77 9.047 9.047 8.030 1.017 18484 6637 1 15 . 1 1 78 78 VAL N N 78 128.488 128.488 129.454 -0.966 18484 6638 1 15 . 1 1 78 78 VAL HA H 78 4.729 4.729 4.350 0.379 18484 6639 1 15 . 1 1 78 78 VAL CA C 78 60.517 60.517 61.802 -1.285 18484 6640 1 15 . 1 1 78 78 VAL CB C 78 33.685 33.685 30.970 2.715 18484 6641 1 15 . 1 1 78 78 VAL H H 78 9.301 9.301 8.146 1.155 18484 6642 1 15 . 1 1 79 79 LEU N N 79 129.698 129.698 129.076 0.622 18484 6643 1 15 . 1 1 79 79 LEU HA H 79 4.783 4.783 4.676 0.107 18484 6644 1 15 . 1 1 79 79 LEU CA C 79 53.873 53.873 53.035 0.838 18484 6645 1 15 . 1 1 79 79 LEU CB C 79 45.605 45.605 44.526 1.079 18484 6646 1 15 . 1 1 79 79 LEU H H 79 8.553 8.553 7.915 0.638 18484 6647 1 15 . 1 1 80 80 THR N N 80 123.276 123.276 116.030 7.246 18484 6648 1 15 . 1 1 80 80 THR HA H 80 5.096 5.096 4.753 0.343 18484 6649 1 15 . 1 1 80 80 THR CA C 80 60.231 60.231 60.939 -0.708 18484 6650 1 15 . 1 1 80 80 THR CB C 80 68.171 68.171 68.321 -0.150 18484 6651 1 15 . 1 1 80 80 THR H H 80 8.754 8.754 8.587 0.167 18484 6652 1 15 . 1 1 81 81 GLU N N 81 125.405 125.405 127.046 -1.641 18484 6653 1 15 . 1 1 81 81 GLU HA H 81 4.530 4.530 4.335 0.195 18484 6654 1 15 . 1 1 81 81 GLU CA C 81 55.372 55.372 55.671 -0.299 18484 6655 1 15 . 1 1 81 81 GLU CB C 81 32.374 32.374 29.930 2.444 18484 6656 1 15 . 1 1 81 81 GLU H H 81 8.615 8.615 8.837 -0.222 18484 6657 1 15 . 1 1 82 82 ASN N N 82 124.375 124.375 123.737 0.638 18484 6658 1 15 . 1 1 82 82 ASN HA H 82 4.360 4.360 4.478 -0.117 18484 6659 1 15 . 1 1 82 82 ASN CA C 82 54.328 54.328 53.565 0.763 18484 6660 1 15 . 1 1 82 82 ASN CB C 82 37.432 37.432 37.329 0.103 18484 6661 1 15 . 1 1 82 82 ASN H H 82 9.559 9.559 8.998 0.561 18484 6662 1 15 . 1 1 83 83 GLY N N 83 103.733 103.733 104.021 -0.288 18484 6663 1 15 . 1 1 83 83 GLY CA C 83 45.359 45.359 45.190 0.169 18484 6664 1 15 . 1 1 83 83 GLY H H 83 8.626 8.626 8.237 0.389 18484 6665 1 15 . 1 1 84 84 LYS N N 84 121.407 121.407 119.145 2.262 18484 6666 1 15 . 1 1 84 84 LYS HA H 84 4.698 4.698 4.576 0.122 18484 6667 1 15 . 1 1 84 84 LYS CA C 84 55.182 55.182 54.951 0.231 18484 6668 1 15 . 1 1 84 84 LYS CB C 84 34.807 34.807 35.115 -0.308 18484 6669 1 15 . 1 1 84 84 LYS H H 84 7.813 7.813 7.914 -0.101 18484 6670 1 15 . 1 1 85 85 THR N N 85 121.799 121.799 117.188 4.611 18484 6671 1 15 . 1 1 85 85 THR HA H 85 5.194 5.194 5.404 -0.210 18484 6672 1 15 . 1 1 85 85 THR CA C 85 60.472 60.472 60.782 -0.310 18484 6673 1 15 . 1 1 85 85 THR CB C 85 69.134 69.134 69.317 -0.183 18484 6674 1 15 . 1 1 85 85 THR H H 85 8.796 8.796 8.389 0.407 18484 6675 1 15 . 1 1 86 86 THR N N 86 122.071 122.071 121.938 0.133 18484 6676 1 15 . 1 1 86 86 THR HA H 86 4.535 4.535 4.617 -0.082 18484 6677 1 15 . 1 1 86 86 THR CA C 86 59.990 59.990 61.217 -1.227 18484 6678 1 15 . 1 1 86 86 THR CB C 86 69.856 69.856 70.760 -0.904 18484 6679 1 15 . 1 1 86 86 THR H H 86 9.134 9.134 8.117 1.017 18484 6680 1 15 . 1 1 87 87 GLU N N 87 126.429 126.429 123.814 2.615 18484 6681 1 15 . 1 1 87 87 GLU HA H 87 5.030 5.030 4.591 0.439 18484 6682 1 15 . 1 1 87 87 GLU CA C 87 55.029 55.029 54.914 0.115 18484 6683 1 15 . 1 1 87 87 GLU CB C 87 31.746 31.746 29.739 2.006 18484 6684 1 15 . 1 1 87 87 GLU H H 87 8.905 8.905 8.613 0.292 18484 6685 1 15 . 1 1 88 88 THR N N 88 120.353 120.353 119.863 0.490 18484 6686 1 15 . 1 1 88 88 THR HA H 88 4.450 4.450 4.568 -0.118 18484 6687 1 15 . 1 1 88 88 THR CA C 88 60.472 60.472 61.449 -0.977 18484 6688 1 15 . 1 1 88 88 THR CB C 88 70.646 70.646 70.899 -0.253 18484 6689 1 15 . 1 1 88 88 THR H H 88 9.016 9.016 8.411 0.605 18484 6690 1 15 . 1 1 89 89 VAL N N 89 128.484 128.484 127.743 0.741 18484 6691 1 15 . 1 1 89 89 VAL HA H 89 3.978 3.978 3.760 0.218 18484 6692 1 15 . 1 1 89 89 VAL CA C 89 62.471 62.471 64.594 -2.123 18484 6693 1 15 . 1 1 89 89 VAL CB C 89 31.216 31.216 31.375 -0.159 18484 6694 1 15 . 1 1 89 89 VAL H H 89 9.054 9.054 8.878 0.176 18484 6695 1 15 . 1 1 90 90 LEU N N 90 130.587 130.587 128.721 1.866 18484 6696 1 15 . 1 1 90 90 LEU HA H 90 4.325 4.325 4.561 -0.236 18484 6697 1 15 . 1 1 90 90 LEU CA C 90 56.129 56.129 55.097 1.032 18484 6698 1 15 . 1 1 90 90 LEU CB C 90 42.958 42.958 43.110 -0.152 18484 6699 1 15 . 1 1 90 90 LEU H H 90 9.426 9.426 8.366 1.060 18484 6700 1 15 . 1 1 91 91 ASP N N 91 114.928 114.928 118.838 -3.910 18484 6701 1 15 . 1 1 91 91 ASP HA H 91 4.846 4.846 4.827 0.019 18484 6702 1 15 . 1 1 91 91 ASP CA C 91 53.688 53.688 53.276 0.412 18484 6703 1 15 . 1 1 91 91 ASP CB C 91 43.521 43.521 43.602 -0.081 18484 6704 1 15 . 1 1 91 91 ASP H H 91 7.924 7.924 8.070 -0.146 18484 6705 1 15 . 1 1 92 92 SER N N 92 117.203 117.203 115.142 2.061 18484 6706 1 15 . 1 1 92 92 SER HA H 92 5.519 5.519 2.958 2.561 18484 6707 1 15 . 1 1 92 92 SER CA C 92 56.622 56.622 56.123 0.499 18484 6708 1 15 . 1 1 92 92 SER CB C 92 63.359 63.359 64.821 -1.462 18484 6709 1 15 . 1 1 92 92 SER H H 92 8.376 8.376 8.040 0.336 18484 6710 1 15 . 1 1 93 93 GLN N N 93 122.058 122.058 118.255 3.803 18484 6711 1 15 . 1 1 93 93 GLN HA H 93 4.731 4.731 4.507 0.224 18484 6712 1 15 . 1 1 93 93 GLN CA C 93 54.781 54.781 53.939 0.842 18484 6713 1 15 . 1 1 93 93 GLN CB C 93 33.312 33.312 32.837 0.475 18484 6714 1 15 . 1 1 93 93 GLN H H 93 9.005 9.005 8.243 0.762 18484 6715 1 15 . 1 1 94 94 VAL N N 94 125.231 125.231 121.427 3.804 18484 6716 1 15 . 1 1 94 94 VAL HA H 94 4.233 4.233 4.192 0.041 18484 6717 1 15 . 1 1 94 94 VAL CA C 94 63.282 63.282 62.208 1.074 18484 6718 1 15 . 1 1 94 94 VAL CB C 94 30.906 30.906 31.835 -0.930 18484 6719 1 15 . 1 1 94 94 VAL H H 94 9.085 9.085 8.571 0.514 18484 6720 1 15 . 1 1 95 95 THR N N 95 121.170 121.170 121.786 -0.616 18484 6721 1 15 . 1 1 95 95 THR HA H 95 4.384 4.384 4.620 -0.236 18484 6722 1 15 . 1 1 95 95 THR CA C 95 60.953 60.953 61.093 -0.140 18484 6723 1 15 . 1 1 95 95 THR CB C 95 68.653 68.653 68.537 0.116 18484 6724 1 15 . 1 1 95 95 THR H H 95 8.521 8.521 8.280 0.241 18484 6725 1 15 . 1 1 96 96 LYS N N 96 123.236 123.236 122.697 0.539 18484 6726 1 15 . 1 1 96 96 LYS HA H 96 4.418 4.418 4.209 0.209 18484 6727 1 15 . 1 1 96 96 LYS CA C 96 56.418 56.418 57.201 -0.783 18484 6728 1 15 . 1 1 96 96 LYS CB C 96 35.690 35.690 33.543 2.147 18484 6729 1 15 . 1 1 96 96 LYS H H 96 7.912 7.912 8.296 -0.384 18484 6730 1 15 . 1 1 97 97 GLU N N 97 125.835 125.835 118.774 7.061 18484 6731 1 15 . 1 1 97 97 GLU HA H 97 4.151 4.151 4.062 0.089 18484 6732 1 15 . 1 1 97 97 GLU CA C 97 56.412 56.412 56.620 -0.208 18484 6733 1 15 . 1 1 97 97 GLU CB C 97 29.948 29.948 28.962 0.986 18484 6734 1 15 . 1 1 97 97 GLU H H 97 8.665 8.665 8.238 0.427 18484 6735 1 15 . 1 1 98 98 VAL N N 98 122.204 122.204 122.730 -0.526 18484 6736 1 15 . 1 1 98 98 VAL HA H 98 3.915 3.915 4.174 -0.259 18484 6737 1 15 . 1 1 98 98 VAL CA C 98 60.208 60.208 62.758 -2.550 18484 6738 1 15 . 1 1 98 98 VAL CB C 98 33.692 33.692 32.590 1.103 18484 6739 1 15 . 1 1 98 98 VAL H H 98 8.339 8.339 8.151 0.188 18484 6740 1 15 . 1 1 99 99 ILE N N 99 127.874 127.874 130.072 -2.198 18484 6741 1 15 . 1 1 99 99 ILE HA H 99 4.197 4.197 3.939 0.258 18484 6742 1 15 . 1 1 99 99 ILE CA C 99 60.606 60.606 62.283 -1.677 18484 6743 1 15 . 1 1 99 99 ILE CB C 99 39.186 39.186 38.222 0.964 18484 6744 1 15 . 1 1 99 99 ILE H H 99 8.608 8.608 8.027 0.581 18484 6745 1 15 . 1 1 100 100 ASN N N 100 123.343 123.343 125.852 -2.509 18484 6746 1 15 . 1 1 100 100 ASN HA H 100 4.914 4.914 4.855 0.059 18484 6747 1 15 . 1 1 100 100 ASN CA C 100 53.704 53.704 51.892 1.812 18484 6748 1 15 . 1 1 100 100 ASN CB C 100 37.731 37.731 39.898 -2.167 18484 6749 1 15 . 1 1 100 100 ASN H H 100 8.446 8.446 8.381 0.065 18484 6750 1 15 . 1 1 101 101 GLN N N 101 120.980 120.980 123.292 -2.312 18484 6751 1 15 . 1 1 101 101 GLN HA H 101 4.325 4.325 4.320 0.005 18484 6752 1 15 . 1 1 101 101 GLN CA C 101 54.659 54.659 56.300 -1.641 18484 6753 1 15 . 1 1 101 101 GLN CB C 101 31.616 31.616 28.234 3.382 18484 6754 1 15 . 1 1 101 101 GLN H H 101 8.254 8.254 8.713 -0.459 18484 6755 1 15 . 1 1 102 102 VAL N N 102 127.057 127.057 128.744 -1.687 18484 6756 1 15 . 1 1 102 102 VAL HA H 102 4.965 4.965 4.055 0.910 18484 6757 1 15 . 1 1 102 102 VAL CA C 102 60.264 60.264 63.121 -2.857 18484 6758 1 15 . 1 1 102 102 VAL CB C 102 33.626 33.626 31.368 2.258 18484 6759 1 15 . 1 1 102 102 VAL H H 102 8.742 8.742 8.673 0.069 18484 6760 1 15 . 1 1 103 103 VAL N N 103 127.794 127.794 128.303 -0.509 18484 6761 1 15 . 1 1 103 103 VAL HA H 103 4.812 4.812 4.916 -0.104 18484 6762 1 15 . 1 1 103 103 VAL CA C 103 58.547 58.547 60.444 -1.897 18484 6763 1 15 . 1 1 103 103 VAL CB C 103 35.718 35.718 33.569 2.149 18484 6764 1 15 . 1 1 103 103 VAL H H 103 9.160 9.160 8.055 1.105 18484 6765 1 15 . 1 1 104 104 GLU N N 104 125.160 125.160 127.322 -2.162 18484 6766 1 15 . 1 1 104 104 GLU HA H 104 5.513 5.513 4.751 0.762 18484 6767 1 15 . 1 1 104 104 GLU CA C 104 53.721 53.721 54.785 -1.064 18484 6768 1 15 . 1 1 104 104 GLU CB C 104 32.383 32.383 31.180 1.203 18484 6769 1 15 . 1 1 104 104 GLU H H 104 9.085 9.085 8.913 0.172 18484 6770 1 15 . 1 1 105 105 VAL N N 105 117.602 117.602 125.439 -7.837 18484 6771 1 15 . 1 1 105 105 VAL HA H 105 5.241 5.241 4.875 0.366 18484 6772 1 15 . 1 1 105 105 VAL CA C 105 57.055 57.055 59.448 -2.393 18484 6773 1 15 . 1 1 105 105 VAL CB C 105 35.204 35.204 35.011 0.193 18484 6774 1 15 . 1 1 105 105 VAL H H 105 8.536 8.536 8.936 -0.400 18484 6775 1 15 . 1 1 106 106 GLY N N 106 111.023 111.023 112.922 -1.899 18484 6776 1 15 . 1 1 106 106 GLY CA C 106 46.117 46.117 44.631 1.486 18484 6777 1 15 . 1 1 106 106 GLY H H 106 8.635 8.635 8.119 0.516 18484 6778 1 15 . 1 1 107 107 ALA N N 107 127.369 127.369 125.769 1.600 18484 6779 1 15 . 1 1 107 107 ALA HA H 107 4.515 4.515 4.839 -0.324 18484 6780 1 15 . 1 1 107 107 ALA CA C 107 50.477 50.477 49.413 1.064 18484 6781 1 15 . 1 1 107 107 ALA CB C 107 19.924 19.924 19.517 0.407 18484 6782 1 15 . 1 1 107 107 ALA H H 107 7.929 7.929 7.877 0.052 18484 6783 1 15 . 1 1 108 108 PRO HA H 108 4.494 4.494 4.394 0.100 18484 6784 1 15 . 1 1 108 108 PRO CA C 108 61.698 61.698 64.247 -2.549 18484 6785 1 15 . 1 1 108 108 PRO CB C 108 31.900 31.900 32.154 -0.254 18484 6786 1 15 . 1 1 109 109 VAL N N 109 119.821 119.821 117.628 2.193 18484 6787 1 15 . 1 1 109 109 VAL HA H 109 4.092 4.092 4.242 -0.150 18484 6788 1 15 . 1 1 109 109 VAL CA C 109 60.949 60.949 62.225 -1.276 18484 6789 1 15 . 1 1 109 109 VAL CB C 109 32.389 32.389 32.748 -0.359 18484 6790 1 15 . 1 1 109 109 VAL H H 109 8.303 8.303 7.784 0.519 18484 6791 1 15 . 1 1 110 110 THR N N 110 118.171 118.171 120.220 -2.049 18484 6792 1 15 . 1 1 110 110 THR HA H 110 4.338 4.338 4.667 -0.329 18484 6793 1 15 . 1 1 110 110 THR CA C 110 59.028 59.028 61.825 -2.797 18484 6794 1 15 . 1 1 110 110 THR CB C 110 67.676 67.676 69.650 -1.974 18484 6795 1 15 . 1 1 110 110 THR H H 110 8.209 8.209 8.117 0.092 18484 6796 1 16 . 1 1 2 2 GLY N N 2 110.403 110.403 109.496 0.907 18484 6797 1 16 . 1 1 2 2 GLY H H 2 8.459 8.459 8.083 0.376 18484 6798 1 16 . 1 1 10 10 SER HA H 10 4.435 4.435 4.215 0.220 18484 6799 1 16 . 1 1 11 11 SER CA C 11 57.649 57.649 58.498 -0.850 18484 6800 1 16 . 1 1 11 11 SER CB C 11 62.672 62.672 63.070 -0.398 18484 6801 1 16 . 1 1 12 12 GLY N N 12 110.471 110.471 113.708 -3.237 18484 6802 1 16 . 1 1 12 12 GLY CA C 12 45.312 45.312 45.631 -0.319 18484 6803 1 16 . 1 1 12 12 GLY H H 12 8.365 8.365 8.674 -0.309 18484 6804 1 16 . 1 1 13 13 LEU N N 13 121.432 121.432 118.386 3.046 18484 6805 1 16 . 1 1 13 13 LEU HA H 13 4.327 4.327 4.131 0.196 18484 6806 1 16 . 1 1 13 13 LEU CA C 13 55.573 55.573 56.029 -0.456 18484 6807 1 16 . 1 1 13 13 LEU CB C 13 42.428 42.428 42.117 0.311 18484 6808 1 16 . 1 1 13 13 LEU H H 13 8.024 8.024 8.220 -0.196 18484 6809 1 16 . 1 1 14 14 VAL N N 14 122.309 122.309 121.900 0.409 18484 6810 1 16 . 1 1 14 14 VAL H H 14 8.062 8.062 8.581 -0.519 18484 6811 1 16 . 1 1 16 16 ARG N N 16 121.951 121.951 121.510 0.441 18484 6812 1 16 . 1 1 16 16 ARG HA H 16 4.312 4.312 4.372 -0.060 18484 6813 1 16 . 1 1 16 16 ARG CA C 16 56.102 56.102 55.660 0.443 18484 6814 1 16 . 1 1 16 16 ARG CB C 16 30.891 30.891 30.584 0.307 18484 6815 1 16 . 1 1 16 16 ARG H H 16 8.465 8.465 8.773 -0.308 18484 6816 1 16 . 1 1 20 20 MET HA H 20 4.435 4.435 4.611 -0.176 18484 6817 1 16 . 1 1 20 20 MET CA C 20 55.500 55.500 55.777 -0.277 18484 6818 1 16 . 1 1 20 20 MET CB C 20 32.070 32.070 33.369 -1.299 18484 6819 1 16 . 1 1 21 21 SER N N 21 117.005 117.005 114.000 3.005 18484 6820 1 16 . 1 1 21 21 SER HA H 21 4.435 4.435 4.635 -0.200 18484 6821 1 16 . 1 1 21 21 SER CA C 21 57.066 57.066 57.883 -0.817 18484 6822 1 16 . 1 1 21 21 SER CB C 21 62.566 62.566 64.246 -1.680 18484 6823 1 16 . 1 1 21 21 SER H H 21 8.332 8.332 8.061 0.271 18484 6824 1 16 . 1 1 22 22 LEU N N 22 124.083 124.083 121.533 2.550 18484 6825 1 16 . 1 1 22 22 LEU HA H 22 4.348 4.348 4.467 -0.119 18484 6826 1 16 . 1 1 22 22 LEU CA C 22 55.471 55.471 56.229 -0.758 18484 6827 1 16 . 1 1 22 22 LEU CB C 22 42.322 42.322 43.786 -1.464 18484 6828 1 16 . 1 1 22 22 LEU H H 22 8.340 8.340 8.365 -0.025 18484 6829 1 16 . 1 1 23 23 ASP N N 23 120.867 120.867 120.841 0.026 18484 6830 1 16 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.603 -0.037 18484 6831 1 16 . 1 1 23 23 ASP CA C 23 54.687 54.687 53.542 1.145 18484 6832 1 16 . 1 1 23 23 ASP CB C 23 41.553 41.553 38.589 2.965 18484 6833 1 16 . 1 1 23 23 ASP H H 23 8.312 8.312 8.485 -0.173 18484 6834 1 16 . 1 1 24 24 GLU N N 24 121.470 121.470 123.589 -2.119 18484 6835 1 16 . 1 1 24 24 GLU HA H 24 4.566 4.566 4.383 0.183 18484 6836 1 16 . 1 1 24 24 GLU CA C 24 56.921 56.921 56.126 0.795 18484 6837 1 16 . 1 1 24 24 GLU CB C 24 30.015 30.015 29.298 0.717 18484 6838 1 16 . 1 1 24 24 GLU H H 24 8.411 8.411 8.182 0.229 18484 6839 1 16 . 1 1 25 25 ASN N N 25 118.582 118.582 121.996 -3.414 18484 6840 1 16 . 1 1 25 25 ASN HA H 25 4.707 4.707 4.883 -0.176 18484 6841 1 16 . 1 1 25 25 ASN CA C 25 53.593 53.593 52.908 0.685 18484 6842 1 16 . 1 1 25 25 ASN CB C 25 39.188 39.188 39.485 -0.297 18484 6843 1 16 . 1 1 25 25 ASN H H 25 8.436 8.436 8.112 0.324 18484 6844 1 16 . 1 1 26 26 GLU N N 26 121.262 121.262 119.371 1.891 18484 6845 1 16 . 1 1 26 26 GLU HA H 26 4.247 4.247 4.536 -0.289 18484 6846 1 16 . 1 1 26 26 GLU CA C 26 56.310 56.310 57.132 -0.822 18484 6847 1 16 . 1 1 26 26 GLU CB C 26 30.342 30.342 30.519 -0.177 18484 6848 1 16 . 1 1 26 26 GLU H H 26 8.196 8.196 8.492 -0.296 18484 6849 1 16 . 1 1 27 27 VAL N N 27 121.381 121.381 118.408 2.973 18484 6850 1 16 . 1 1 27 27 VAL HA H 27 4.036 4.036 4.242 -0.206 18484 6851 1 16 . 1 1 27 27 VAL CA C 27 62.396 62.396 61.417 0.979 18484 6852 1 16 . 1 1 27 27 VAL CB C 27 32.770 32.770 32.859 -0.089 18484 6853 1 16 . 1 1 27 27 VAL H H 27 8.092 8.092 7.453 0.639 18484 6854 1 16 . 1 1 28 28 ALA N N 28 127.549 127.549 129.878 -2.329 18484 6855 1 16 . 1 1 28 28 ALA HA H 28 4.300 4.300 4.301 -0.001 18484 6856 1 16 . 1 1 28 28 ALA CA C 28 52.388 52.388 53.692 -1.304 18484 6857 1 16 . 1 1 28 28 ALA CB C 28 20.383 20.383 19.319 1.064 18484 6858 1 16 . 1 1 28 28 ALA H H 28 8.280 8.280 8.554 -0.274 18484 6859 1 16 . 1 1 29 29 ALA N N 29 122.963 122.963 119.896 3.067 18484 6860 1 16 . 1 1 29 29 ALA HA H 29 4.257 4.257 4.303 -0.046 18484 6861 1 16 . 1 1 29 29 ALA CA C 29 52.737 52.737 52.179 0.558 18484 6862 1 16 . 1 1 29 29 ALA CB C 29 20.585 20.585 19.569 1.016 18484 6863 1 16 . 1 1 29 29 ALA H H 29 8.182 8.182 8.025 0.157 18484 6864 1 16 . 1 1 30 30 ASN N N 30 117.863 117.863 116.951 0.912 18484 6865 1 16 . 1 1 30 30 ASN HA H 30 4.697 4.697 4.736 -0.039 18484 6866 1 16 . 1 1 30 30 ASN CA C 30 53.107 53.107 52.890 0.217 18484 6867 1 16 . 1 1 30 30 ASN CB C 30 38.876 38.876 38.791 0.084 18484 6868 1 16 . 1 1 30 30 ASN H H 30 8.323 8.323 8.399 -0.076 18484 6869 1 16 . 1 1 31 31 VAL N N 31 120.074 120.074 118.393 1.681 18484 6870 1 16 . 1 1 31 31 VAL HA H 31 4.131 4.131 4.231 -0.100 18484 6871 1 16 . 1 1 31 31 VAL CA C 31 60.983 60.983 62.284 -1.301 18484 6872 1 16 . 1 1 31 31 VAL CB C 31 32.827 32.827 32.641 0.186 18484 6873 1 16 . 1 1 31 31 VAL H H 31 8.041 8.041 7.731 0.310 18484 6874 1 16 . 1 1 32 32 GLU N N 32 124.378 124.378 122.763 1.615 18484 6875 1 16 . 1 1 32 32 GLU HA H 32 4.339 4.339 4.536 -0.197 18484 6876 1 16 . 1 1 32 32 GLU CA C 32 56.728 56.728 55.281 1.447 18484 6877 1 16 . 1 1 32 32 GLU CB C 32 30.439 30.439 32.029 -1.590 18484 6878 1 16 . 1 1 32 32 GLU H H 32 8.487 8.487 8.267 0.220 18484 6879 1 16 . 1 1 33 33 THR N N 33 116.772 116.772 115.835 0.937 18484 6880 1 16 . 1 1 33 33 THR HA H 33 4.312 4.312 4.148 0.164 18484 6881 1 16 . 1 1 33 33 THR CA C 33 60.472 60.472 63.965 -3.493 18484 6882 1 16 . 1 1 33 33 THR CB C 33 68.412 68.412 69.158 -0.746 18484 6883 1 16 . 1 1 33 33 THR H H 33 8.224 8.224 8.229 -0.005 18484 6884 1 16 . 1 1 34 34 ARG N N 34 124.955 124.955 120.841 4.114 18484 6885 1 16 . 1 1 34 34 ARG HA H 34 4.732 4.732 4.534 0.198 18484 6886 1 16 . 1 1 34 34 ARG CA C 34 53.635 53.635 53.208 0.427 18484 6887 1 16 . 1 1 34 34 ARG CB C 34 30.581 30.581 30.727 -0.146 18484 6888 1 16 . 1 1 34 34 ARG H H 34 8.438 8.438 7.819 0.619 18484 6889 1 16 . 1 1 35 35 PRO HA H 35 4.667 4.667 4.419 0.248 18484 6890 1 16 . 1 1 35 35 PRO CA C 35 61.995 61.995 63.799 -1.804 18484 6891 1 16 . 1 1 35 35 PRO CB C 35 32.459 32.459 32.311 0.148 18484 6892 1 16 . 1 1 36 36 GLU N N 36 121.398 121.398 117.175 4.223 18484 6893 1 16 . 1 1 36 36 GLU HA H 36 4.509 4.509 4.554 -0.045 18484 6894 1 16 . 1 1 36 36 GLU CA C 36 55.563 55.563 55.299 0.264 18484 6895 1 16 . 1 1 36 36 GLU CB C 36 31.628 31.628 31.843 -0.215 18484 6896 1 16 . 1 1 36 36 GLU H H 36 8.663 8.663 8.117 0.546 18484 6897 1 16 . 1 1 37 37 LEU N N 37 125.233 125.233 123.431 1.802 18484 6898 1 16 . 1 1 37 37 LEU HA H 37 5.240 5.240 4.736 0.504 18484 6899 1 16 . 1 1 37 37 LEU CA C 37 54.120 54.120 54.241 -0.121 18484 6900 1 16 . 1 1 37 37 LEU CB C 37 42.407 42.407 43.193 -0.786 18484 6901 1 16 . 1 1 37 37 LEU H H 37 8.352 8.352 8.584 -0.232 18484 6902 1 16 . 1 1 38 38 ILE N N 38 121.904 121.904 121.872 0.032 18484 6903 1 16 . 1 1 38 38 ILE HA H 38 4.775 4.775 4.653 0.122 18484 6904 1 16 . 1 1 38 38 ILE CA C 38 58.065 58.065 59.645 -1.581 18484 6905 1 16 . 1 1 38 38 ILE CB C 38 41.790 41.790 39.880 1.910 18484 6906 1 16 . 1 1 38 38 ILE H H 38 9.224 9.224 8.946 0.278 18484 6907 1 16 . 1 1 39 39 THR N N 39 111.692 111.692 110.524 1.168 18484 6908 1 16 . 1 1 39 39 THR HA H 39 5.443 5.443 5.390 0.053 18484 6909 1 16 . 1 1 39 39 THR CA C 39 57.825 57.825 60.425 -2.600 18484 6910 1 16 . 1 1 39 39 THR CB C 39 70.337 70.337 71.420 -1.083 18484 6911 1 16 . 1 1 39 39 THR H H 39 8.077 8.077 8.181 -0.104 18484 6912 1 16 . 1 1 40 40 ARG N N 40 121.666 121.666 120.812 0.854 18484 6913 1 16 . 1 1 40 40 ARG HA H 40 4.707 4.707 4.524 0.183 18484 6914 1 16 . 1 1 40 40 ARG CA C 40 55.674 55.674 55.811 -0.137 18484 6915 1 16 . 1 1 40 40 ARG CB C 40 34.932 34.932 32.634 2.298 18484 6916 1 16 . 1 1 40 40 ARG H H 40 8.558 8.558 8.856 -0.298 18484 6917 1 16 . 1 1 41 41 THR N N 41 115.335 115.335 118.690 -3.355 18484 6918 1 16 . 1 1 41 41 THR HA H 41 5.345 5.345 5.142 0.203 18484 6919 1 16 . 1 1 41 41 THR CA C 41 59.028 59.028 61.754 -2.726 18484 6920 1 16 . 1 1 41 41 THR CB C 41 70.332 70.332 69.949 0.383 18484 6921 1 16 . 1 1 41 41 THR H H 41 8.532 8.532 8.493 0.039 18484 6922 1 16 . 1 1 42 42 GLU N N 42 122.278 122.278 126.604 -4.326 18484 6923 1 16 . 1 1 42 42 GLU HA H 42 4.705 4.705 4.551 0.154 18484 6924 1 16 . 1 1 42 42 GLU CA C 42 54.318 54.318 54.191 0.127 18484 6925 1 16 . 1 1 42 42 GLU CB C 42 33.984 33.984 32.074 1.910 18484 6926 1 16 . 1 1 42 42 GLU H H 42 9.049 9.049 8.879 0.170 18484 6927 1 16 . 1 1 43 43 GLU N N 43 122.782 122.782 123.115 -0.333 18484 6928 1 16 . 1 1 43 43 GLU HA H 43 4.659 4.659 4.240 0.419 18484 6929 1 16 . 1 1 43 43 GLU CA C 43 56.074 56.074 56.870 -0.796 18484 6930 1 16 . 1 1 43 43 GLU CB C 43 31.559 31.559 28.779 2.780 18484 6931 1 16 . 1 1 43 43 GLU H H 43 8.722 8.722 8.649 0.073 18484 6932 1 16 . 1 1 44 44 ILE N N 44 123.255 123.255 125.504 -2.249 18484 6933 1 16 . 1 1 44 44 ILE HA H 44 4.557 4.557 4.538 0.019 18484 6934 1 16 . 1 1 44 44 ILE CA C 44 55.622 55.622 58.193 -2.571 18484 6935 1 16 . 1 1 44 44 ILE CB C 44 40.902 40.902 38.657 2.245 18484 6936 1 16 . 1 1 44 44 ILE H H 44 7.740 7.740 7.923 -0.183 18484 6937 1 16 . 1 1 45 45 PRO HA H 45 4.177 4.177 4.548 -0.371 18484 6938 1 16 . 1 1 45 45 PRO CA C 45 61.978 61.978 62.268 -0.290 18484 6939 1 16 . 1 1 45 45 PRO CB C 45 32.314 32.314 32.221 0.093 18484 6940 1 16 . 1 1 46 46 PHE N N 46 114.670 114.670 119.276 -4.606 18484 6941 1 16 . 1 1 46 46 PHE HA H 46 4.913 4.913 4.770 0.143 18484 6942 1 16 . 1 1 46 46 PHE CA C 46 54.749 54.749 56.053 -1.304 18484 6943 1 16 . 1 1 46 46 PHE CB C 46 42.057 42.057 40.169 1.888 18484 6944 1 16 . 1 1 46 46 PHE H H 46 6.912 6.912 8.072 -1.160 18484 6945 1 16 . 1 1 47 47 GLU N N 47 120.217 120.217 120.394 -0.177 18484 6946 1 16 . 1 1 47 47 GLU HA H 47 4.600 4.600 4.409 0.191 18484 6947 1 16 . 1 1 47 47 GLU CA C 47 54.771 54.771 55.220 -0.449 18484 6948 1 16 . 1 1 47 47 GLU CB C 47 32.338 32.338 32.367 -0.029 18484 6949 1 16 . 1 1 47 47 GLU H H 47 8.271 8.271 8.655 -0.384 18484 6950 1 16 . 1 1 48 48 VAL N N 48 121.331 121.331 124.843 -3.512 18484 6951 1 16 . 1 1 48 48 VAL HA H 48 4.734 4.734 4.252 0.482 18484 6952 1 16 . 1 1 48 48 VAL CA C 48 61.472 61.472 62.785 -1.313 18484 6953 1 16 . 1 1 48 48 VAL CB C 48 32.699 32.699 32.664 0.035 18484 6954 1 16 . 1 1 48 48 VAL H H 48 8.625 8.625 8.471 0.154 18484 6955 1 16 . 1 1 49 49 ILE N N 49 132.310 132.310 128.816 3.494 18484 6956 1 16 . 1 1 49 49 ILE HA H 49 4.205 4.205 4.472 -0.267 18484 6957 1 16 . 1 1 49 49 ILE CA C 49 58.886 58.886 59.066 -0.180 18484 6958 1 16 . 1 1 49 49 ILE CB C 49 39.037 39.037 40.529 -1.492 18484 6959 1 16 . 1 1 49 49 ILE H H 49 9.505 9.505 8.056 1.449 18484 6960 1 16 . 1 1 50 50 LYS N N 50 125.764 125.764 122.396 3.368 18484 6961 1 16 . 1 1 50 50 LYS HA H 50 5.284 5.284 4.585 0.699 18484 6962 1 16 . 1 1 50 50 LYS CA C 50 54.802 54.802 55.414 -0.612 18484 6963 1 16 . 1 1 50 50 LYS CB C 50 34.186 34.186 33.210 0.976 18484 6964 1 16 . 1 1 50 50 LYS H H 50 8.507 8.507 8.329 0.178 18484 6965 1 16 . 1 1 51 51 LYS N N 51 124.935 124.935 125.540 -0.605 18484 6966 1 16 . 1 1 51 51 LYS HA H 51 4.608 4.608 4.492 0.116 18484 6967 1 16 . 1 1 51 51 LYS CA C 51 54.006 54.006 54.658 -0.652 18484 6968 1 16 . 1 1 51 51 LYS CB C 51 34.756 34.756 35.013 -0.257 18484 6969 1 16 . 1 1 51 51 LYS H H 51 9.066 9.066 8.125 0.941 18484 6970 1 16 . 1 1 52 52 GLU N N 52 124.186 124.186 122.420 1.766 18484 6971 1 16 . 1 1 52 52 GLU HA H 52 4.621 4.621 5.026 -0.405 18484 6972 1 16 . 1 1 52 52 GLU CA C 52 55.931 55.931 55.645 0.286 18484 6973 1 16 . 1 1 52 52 GLU CB C 52 31.036 31.036 30.820 0.216 18484 6974 1 16 . 1 1 52 52 GLU H H 52 8.777 8.777 8.577 0.200 18484 6975 1 16 . 1 1 53 53 ASN N N 53 121.687 121.687 123.268 -1.581 18484 6976 1 16 . 1 1 53 53 ASN HA H 53 5.240 5.240 5.195 0.045 18484 6977 1 16 . 1 1 53 53 ASN CA C 53 49.409 49.409 49.699 -0.290 18484 6978 1 16 . 1 1 53 53 ASN CB C 53 40.473 40.473 41.831 -1.357 18484 6979 1 16 . 1 1 53 53 ASN H H 53 8.890 8.890 9.112 -0.222 18484 6980 1 16 . 1 1 54 54 PRO HA H 54 4.587 4.587 4.497 0.090 18484 6981 1 16 . 1 1 54 54 PRO CA C 54 62.650 62.650 64.567 -1.917 18484 6982 1 16 . 1 1 54 54 PRO CB C 54 32.219 32.219 32.106 0.113 18484 6983 1 16 . 1 1 55 55 ASN N N 55 115.629 115.629 116.165 -0.536 18484 6984 1 16 . 1 1 55 55 ASN HA H 55 4.695 4.695 4.504 0.191 18484 6985 1 16 . 1 1 55 55 ASN CA C 55 53.685 53.685 54.551 -0.866 18484 6986 1 16 . 1 1 55 55 ASN CB C 55 39.137 39.137 38.431 0.706 18484 6987 1 16 . 1 1 55 55 ASN H H 55 8.422 8.422 8.294 0.128 18484 6988 1 16 . 1 1 56 56 LEU N N 56 121.277 121.277 119.440 1.837 18484 6989 1 16 . 1 1 56 56 LEU HA H 56 4.686 4.686 4.487 0.199 18484 6990 1 16 . 1 1 56 56 LEU CA C 56 52.145 52.145 53.453 -1.308 18484 6991 1 16 . 1 1 56 56 LEU CB C 56 42.456 42.456 41.821 0.635 18484 6992 1 16 . 1 1 56 56 LEU H H 56 7.278 7.278 7.316 -0.038 18484 6993 1 16 . 1 1 57 57 PRO HA H 57 4.298 4.298 4.465 -0.167 18484 6994 1 16 . 1 1 57 57 PRO CA C 57 61.332 61.332 62.116 -0.784 18484 6995 1 16 . 1 1 57 57 PRO CB C 57 32.232 32.232 30.117 2.115 18484 6996 1 16 . 1 1 58 58 ALA N N 58 123.896 123.896 121.830 2.066 18484 6997 1 16 . 1 1 58 58 ALA HA H 58 3.892 3.892 4.035 -0.143 18484 6998 1 16 . 1 1 58 58 ALA CA C 58 53.559 53.559 52.754 0.805 18484 6999 1 16 . 1 1 58 58 ALA CB C 58 19.480 19.480 18.850 0.630 18484 7000 1 16 . 1 1 58 58 ALA H H 58 8.263 8.263 7.228 1.035 18484 7001 1 16 . 1 1 59 59 GLY N N 59 110.843 110.843 107.675 3.168 18484 7002 1 16 . 1 1 59 59 GLY CA C 59 45.339 45.339 46.071 -0.731 18484 7003 1 16 . 1 1 59 59 GLY H H 59 8.755 8.755 8.556 0.199 18484 7004 1 16 . 1 1 60 60 GLN N N 60 121.444 121.444 118.191 3.253 18484 7005 1 16 . 1 1 60 60 GLN HA H 60 4.251 4.251 4.479 -0.228 18484 7006 1 16 . 1 1 60 60 GLN CA C 60 56.080 56.080 55.016 1.064 18484 7007 1 16 . 1 1 60 60 GLN CB C 60 29.876 29.876 32.001 -2.125 18484 7008 1 16 . 1 1 60 60 GLN H H 60 7.877 7.877 8.045 -0.168 18484 7009 1 16 . 1 1 61 61 GLU N N 61 123.364 123.364 119.757 3.607 18484 7010 1 16 . 1 1 61 61 GLU HA H 61 5.241 5.241 4.686 0.555 18484 7011 1 16 . 1 1 61 61 GLU CA C 61 55.012 55.012 55.890 -0.878 18484 7012 1 16 . 1 1 61 61 GLU CB C 61 32.368 32.368 32.444 -0.076 18484 7013 1 16 . 1 1 61 61 GLU H H 61 8.419 8.419 8.522 -0.103 18484 7014 1 16 . 1 1 62 62 ASN N N 62 121.499 121.499 122.558 -1.059 18484 7015 1 16 . 1 1 62 62 ASN HA H 62 5.078 5.078 4.958 0.120 18484 7016 1 16 . 1 1 62 62 ASN CA C 62 51.617 51.617 52.343 -0.726 18484 7017 1 16 . 1 1 62 62 ASN CB C 62 40.999 40.999 40.404 0.596 18484 7018 1 16 . 1 1 62 62 ASN H H 62 9.164 9.164 8.370 0.793 18484 7019 1 16 . 1 1 63 63 ILE N N 63 125.976 125.976 123.789 2.187 18484 7020 1 16 . 1 1 63 63 ILE HA H 63 3.979 3.979 4.354 -0.375 18484 7021 1 16 . 1 1 63 63 ILE CA C 63 61.650 61.650 59.904 1.746 18484 7022 1 16 . 1 1 63 63 ILE CB C 63 37.404 37.404 35.738 1.666 18484 7023 1 16 . 1 1 63 63 ILE H H 63 9.032 9.032 8.700 0.332 18484 7024 1 16 . 1 1 64 64 ILE N N 64 130.073 130.073 128.335 1.738 18484 7025 1 16 . 1 1 64 64 ILE HA H 64 4.139 4.139 3.944 0.195 18484 7026 1 16 . 1 1 64 64 ILE CA C 64 60.699 60.699 63.153 -2.454 18484 7027 1 16 . 1 1 64 64 ILE CB C 64 38.029 38.029 38.563 -0.534 18484 7028 1 16 . 1 1 64 64 ILE H H 64 8.876 8.876 8.718 0.158 18484 7029 1 16 . 1 1 65 65 THR N N 65 116.771 116.771 114.067 2.704 18484 7030 1 16 . 1 1 65 65 THR HA H 65 4.349 4.349 4.409 -0.060 18484 7031 1 16 . 1 1 65 65 THR CA C 65 60.066 60.066 61.526 -1.460 18484 7032 1 16 . 1 1 65 65 THR CB C 65 71.059 71.059 69.937 1.122 18484 7033 1 16 . 1 1 65 65 THR H H 65 7.699 7.699 7.454 0.245 18484 7034 1 16 . 1 1 66 66 ALA N N 66 130.117 130.117 128.858 1.259 18484 7035 1 16 . 1 1 66 66 ALA HA H 66 3.928 3.928 4.092 -0.164 18484 7036 1 16 . 1 1 66 66 ALA CA C 66 51.617 51.617 52.759 -1.142 18484 7037 1 16 . 1 1 66 66 ALA CB C 66 19.653 19.653 19.358 0.295 18484 7038 1 16 . 1 1 66 66 ALA H H 66 8.579 8.579 8.371 0.208 18484 7039 1 16 . 1 1 67 67 GLY N N 67 107.619 107.619 108.700 -1.081 18484 7040 1 16 . 1 1 67 67 GLY CA C 67 43.606 43.606 43.757 -0.151 18484 7041 1 16 . 1 1 67 67 GLY H H 67 8.387 8.387 7.804 0.583 18484 7042 1 16 . 1 1 68 68 VAL N N 68 123.776 123.776 122.594 1.182 18484 7043 1 16 . 1 1 68 68 VAL HA H 68 4.124 4.124 4.254 -0.130 18484 7044 1 16 . 1 1 68 68 VAL CA C 68 60.443 60.443 60.978 -0.535 18484 7045 1 16 . 1 1 68 68 VAL CB C 68 34.972 34.972 35.668 -0.696 18484 7046 1 16 . 1 1 68 68 VAL H H 68 8.966 8.966 8.295 0.671 18484 7047 1 16 . 1 1 69 69 LYS N N 69 125.803 125.803 128.160 -2.357 18484 7048 1 16 . 1 1 69 69 LYS HA H 69 4.448 4.448 4.336 0.112 18484 7049 1 16 . 1 1 69 69 LYS CA C 69 57.012 57.012 57.390 -0.378 18484 7050 1 16 . 1 1 69 69 LYS CB C 69 33.410 33.410 31.755 1.655 18484 7051 1 16 . 1 1 69 69 LYS H H 69 8.799 8.799 8.939 -0.140 18484 7052 1 16 . 1 1 70 70 GLY N N 70 108.188 108.188 113.103 -4.915 18484 7053 1 16 . 1 1 70 70 GLY CA C 70 43.549 43.549 44.837 -1.288 18484 7054 1 16 . 1 1 70 70 GLY H H 70 8.858 8.858 8.031 0.827 18484 7055 1 16 . 1 1 71 71 GLU N N 71 123.030 123.030 118.749 4.281 18484 7056 1 16 . 1 1 71 71 GLU HA H 71 5.059 5.059 4.691 0.368 18484 7057 1 16 . 1 1 71 71 GLU CA C 71 56.146 56.146 56.673 -0.527 18484 7058 1 16 . 1 1 71 71 GLU CB C 71 36.142 36.142 32.070 4.072 18484 7059 1 16 . 1 1 71 71 GLU H H 71 9.538 9.538 8.320 1.218 18484 7060 1 16 . 1 1 72 72 ARG N N 72 126.426 126.426 125.464 0.962 18484 7061 1 16 . 1 1 72 72 ARG HA H 72 5.059 5.059 4.974 0.085 18484 7062 1 16 . 1 1 72 72 ARG CA C 72 54.001 54.001 54.663 -0.662 18484 7063 1 16 . 1 1 72 72 ARG CB C 72 33.500 33.500 32.235 1.265 18484 7064 1 16 . 1 1 72 72 ARG H H 72 9.191 9.191 8.106 1.085 18484 7065 1 16 . 1 1 73 73 THR N N 73 120.983 120.983 122.293 -1.310 18484 7066 1 16 . 1 1 73 73 THR HA H 73 4.522 4.522 4.578 -0.056 18484 7067 1 16 . 1 1 73 73 THR CA C 73 60.953 60.953 64.392 -3.439 18484 7068 1 16 . 1 1 73 73 THR CB C 73 68.412 68.412 69.434 -1.022 18484 7069 1 16 . 1 1 73 73 THR H H 73 9.249 9.249 8.782 0.467 18484 7070 1 16 . 1 1 74 74 HIS N N 74 125.685 125.685 125.262 0.423 18484 7071 1 16 . 1 1 74 74 HIS HA H 74 5.153 5.153 4.841 0.312 18484 7072 1 16 . 1 1 74 74 HIS CA C 74 54.487 54.487 55.392 -0.905 18484 7073 1 16 . 1 1 74 74 HIS CB C 74 32.997 32.997 32.369 0.628 18484 7074 1 16 . 1 1 74 74 HIS H H 74 9.056 9.056 9.384 -0.328 18484 7075 1 16 . 1 1 75 75 TYR N N 75 123.688 123.688 124.845 -1.157 18484 7076 1 16 . 1 1 75 75 TYR HA H 75 4.868 4.868 5.025 -0.157 18484 7077 1 16 . 1 1 75 75 TYR CA C 75 56.499 56.499 54.502 1.997 18484 7078 1 16 . 1 1 75 75 TYR CB C 75 38.425 38.425 36.533 1.892 18484 7079 1 16 . 1 1 75 75 TYR H H 75 8.945 8.945 8.519 0.426 18484 7080 1 16 . 1 1 76 76 ILE N N 76 125.717 125.717 124.519 1.198 18484 7081 1 16 . 1 1 76 76 ILE HA H 76 4.800 4.800 4.259 0.541 18484 7082 1 16 . 1 1 76 76 ILE CA C 76 58.787 58.787 60.587 -1.800 18484 7083 1 16 . 1 1 76 76 ILE CB C 76 42.034 42.034 40.103 1.931 18484 7084 1 16 . 1 1 76 76 ILE H H 76 9.079 9.079 8.202 0.877 18484 7085 1 16 . 1 1 77 77 SER N N 77 120.473 120.473 118.208 2.265 18484 7086 1 16 . 1 1 77 77 SER HA H 77 5.183 5.183 4.931 0.252 18484 7087 1 16 . 1 1 77 77 SER CA C 77 55.930 55.930 57.452 -1.522 18484 7088 1 16 . 1 1 77 77 SER CB C 77 63.118 63.118 64.569 -1.451 18484 7089 1 16 . 1 1 77 77 SER H H 77 9.047 9.047 8.081 0.966 18484 7090 1 16 . 1 1 78 78 VAL N N 78 128.488 128.488 125.054 3.434 18484 7091 1 16 . 1 1 78 78 VAL HA H 78 4.729 4.729 4.884 -0.155 18484 7092 1 16 . 1 1 78 78 VAL CA C 78 60.517 60.517 60.280 0.237 18484 7093 1 16 . 1 1 78 78 VAL CB C 78 33.685 33.685 31.256 2.429 18484 7094 1 16 . 1 1 78 78 VAL H H 78 9.301 9.301 7.935 1.366 18484 7095 1 16 . 1 1 79 79 LEU N N 79 129.698 129.698 129.091 0.607 18484 7096 1 16 . 1 1 79 79 LEU HA H 79 4.783 4.783 4.699 0.084 18484 7097 1 16 . 1 1 79 79 LEU CA C 79 53.873 53.873 53.457 0.416 18484 7098 1 16 . 1 1 79 79 LEU CB C 79 45.605 45.605 44.926 0.679 18484 7099 1 16 . 1 1 79 79 LEU H H 79 8.553 8.553 7.808 0.745 18484 7100 1 16 . 1 1 80 80 THR N N 80 123.276 123.276 119.481 3.795 18484 7101 1 16 . 1 1 80 80 THR HA H 80 5.096 5.096 4.915 0.181 18484 7102 1 16 . 1 1 80 80 THR CA C 80 60.231 60.231 62.183 -1.952 18484 7103 1 16 . 1 1 80 80 THR CB C 80 68.171 68.171 69.470 -1.299 18484 7104 1 16 . 1 1 80 80 THR H H 80 8.754 8.754 8.540 0.214 18484 7105 1 16 . 1 1 81 81 GLU N N 81 125.405 125.405 127.857 -2.452 18484 7106 1 16 . 1 1 81 81 GLU HA H 81 4.530 4.530 4.540 -0.010 18484 7107 1 16 . 1 1 81 81 GLU CA C 81 55.372 55.372 55.836 -0.464 18484 7108 1 16 . 1 1 81 81 GLU CB C 81 32.374 32.374 31.901 0.473 18484 7109 1 16 . 1 1 81 81 GLU H H 81 8.615 8.615 8.385 0.230 18484 7110 1 16 . 1 1 82 82 ASN N N 82 124.375 124.375 121.509 2.866 18484 7111 1 16 . 1 1 82 82 ASN HA H 82 4.360 4.360 4.402 -0.042 18484 7112 1 16 . 1 1 82 82 ASN CA C 82 54.328 54.328 53.505 0.823 18484 7113 1 16 . 1 1 82 82 ASN CB C 82 37.432 37.432 37.444 -0.012 18484 7114 1 16 . 1 1 82 82 ASN H H 82 9.559 9.559 8.899 0.660 18484 7115 1 16 . 1 1 83 83 GLY N N 83 103.733 103.733 101.222 2.511 18484 7116 1 16 . 1 1 83 83 GLY CA C 83 45.359 45.359 44.832 0.527 18484 7117 1 16 . 1 1 83 83 GLY H H 83 8.626 8.626 8.558 0.068 18484 7118 1 16 . 1 1 84 84 LYS N N 84 121.407 121.407 118.546 2.861 18484 7119 1 16 . 1 1 84 84 LYS HA H 84 4.698 4.698 4.654 0.044 18484 7120 1 16 . 1 1 84 84 LYS CA C 84 55.182 55.182 54.509 0.673 18484 7121 1 16 . 1 1 84 84 LYS CB C 84 34.807 34.807 35.971 -1.164 18484 7122 1 16 . 1 1 84 84 LYS H H 84 7.813 7.813 7.821 -0.008 18484 7123 1 16 . 1 1 85 85 THR N N 85 121.799 121.799 118.191 3.608 18484 7124 1 16 . 1 1 85 85 THR HA H 85 5.194 5.194 5.135 0.059 18484 7125 1 16 . 1 1 85 85 THR CA C 85 60.472 60.472 61.068 -0.596 18484 7126 1 16 . 1 1 85 85 THR CB C 85 69.134 69.134 69.530 -0.396 18484 7127 1 16 . 1 1 85 85 THR H H 85 8.796 8.796 8.472 0.324 18484 7128 1 16 . 1 1 86 86 THR N N 86 122.071 122.071 121.436 0.635 18484 7129 1 16 . 1 1 86 86 THR HA H 86 4.535 4.535 4.551 -0.016 18484 7130 1 16 . 1 1 86 86 THR CA C 86 59.990 59.990 60.967 -0.977 18484 7131 1 16 . 1 1 86 86 THR CB C 86 69.856 69.856 70.201 -0.345 18484 7132 1 16 . 1 1 86 86 THR H H 86 9.134 9.134 8.298 0.836 18484 7133 1 16 . 1 1 87 87 GLU N N 87 126.429 126.429 124.260 2.169 18484 7134 1 16 . 1 1 87 87 GLU HA H 87 5.030 5.030 4.648 0.382 18484 7135 1 16 . 1 1 87 87 GLU CA C 87 55.029 55.029 54.785 0.244 18484 7136 1 16 . 1 1 87 87 GLU CB C 87 31.746 31.746 29.611 2.135 18484 7137 1 16 . 1 1 87 87 GLU H H 87 8.905 8.905 8.605 0.300 18484 7138 1 16 . 1 1 88 88 THR N N 88 120.353 120.353 120.758 -0.405 18484 7139 1 16 . 1 1 88 88 THR HA H 88 4.450 4.450 4.596 -0.146 18484 7140 1 16 . 1 1 88 88 THR CA C 88 60.472 60.472 61.405 -0.933 18484 7141 1 16 . 1 1 88 88 THR CB C 88 70.646 70.646 69.942 0.705 18484 7142 1 16 . 1 1 88 88 THR H H 88 9.016 9.016 8.066 0.950 18484 7143 1 16 . 1 1 89 89 VAL N N 89 128.484 128.484 124.689 3.795 18484 7144 1 16 . 1 1 89 89 VAL HA H 89 3.978 3.978 3.857 0.121 18484 7145 1 16 . 1 1 89 89 VAL CA C 89 62.471 62.471 63.865 -1.394 18484 7146 1 16 . 1 1 89 89 VAL CB C 89 31.216 31.216 31.404 -0.188 18484 7147 1 16 . 1 1 89 89 VAL H H 89 9.054 9.054 8.776 0.278 18484 7148 1 16 . 1 1 90 90 LEU N N 90 130.587 130.587 129.098 1.489 18484 7149 1 16 . 1 1 90 90 LEU HA H 90 4.325 4.325 4.741 -0.416 18484 7150 1 16 . 1 1 90 90 LEU CA C 90 56.129 56.129 55.504 0.625 18484 7151 1 16 . 1 1 90 90 LEU CB C 90 42.958 42.958 43.656 -0.698 18484 7152 1 16 . 1 1 90 90 LEU H H 90 9.426 9.426 8.422 1.004 18484 7153 1 16 . 1 1 91 91 ASP N N 91 114.928 114.928 116.712 -1.784 18484 7154 1 16 . 1 1 91 91 ASP HA H 91 4.846 4.846 4.686 0.160 18484 7155 1 16 . 1 1 91 91 ASP CA C 91 53.688 53.688 53.864 -0.176 18484 7156 1 16 . 1 1 91 91 ASP CB C 91 43.521 43.521 43.885 -0.364 18484 7157 1 16 . 1 1 91 91 ASP H H 91 7.924 7.924 7.968 -0.044 18484 7158 1 16 . 1 1 92 92 SER N N 92 117.203 117.203 116.385 0.818 18484 7159 1 16 . 1 1 92 92 SER HA H 92 5.519 5.519 3.207 2.312 18484 7160 1 16 . 1 1 92 92 SER CA C 92 56.622 56.622 56.546 0.076 18484 7161 1 16 . 1 1 92 92 SER CB C 92 63.359 63.359 65.528 -2.169 18484 7162 1 16 . 1 1 92 92 SER H H 92 8.376 8.376 7.996 0.380 18484 7163 1 16 . 1 1 93 93 GLN N N 93 122.058 122.058 118.564 3.494 18484 7164 1 16 . 1 1 93 93 GLN HA H 93 4.731 4.731 4.550 0.181 18484 7165 1 16 . 1 1 93 93 GLN CA C 93 54.781 54.781 54.201 0.580 18484 7166 1 16 . 1 1 93 93 GLN CB C 93 33.312 33.312 33.115 0.197 18484 7167 1 16 . 1 1 93 93 GLN H H 93 9.005 9.005 7.914 1.091 18484 7168 1 16 . 1 1 94 94 VAL N N 94 125.231 125.231 120.775 4.456 18484 7169 1 16 . 1 1 94 94 VAL HA H 94 4.233 4.233 4.121 0.112 18484 7170 1 16 . 1 1 94 94 VAL CA C 94 63.282 63.282 62.440 0.842 18484 7171 1 16 . 1 1 94 94 VAL CB C 94 30.906 30.906 32.056 -1.151 18484 7172 1 16 . 1 1 94 94 VAL H H 94 9.085 9.085 8.546 0.539 18484 7173 1 16 . 1 1 95 95 THR N N 95 121.170 121.170 122.323 -1.153 18484 7174 1 16 . 1 1 95 95 THR HA H 95 4.384 4.384 4.601 -0.217 18484 7175 1 16 . 1 1 95 95 THR CA C 95 60.953 60.953 60.714 0.239 18484 7176 1 16 . 1 1 95 95 THR CB C 95 68.653 68.653 68.559 0.094 18484 7177 1 16 . 1 1 95 95 THR H H 95 8.521 8.521 8.235 0.286 18484 7178 1 16 . 1 1 96 96 LYS N N 96 123.236 123.236 121.843 1.393 18484 7179 1 16 . 1 1 96 96 LYS HA H 96 4.418 4.418 4.201 0.217 18484 7180 1 16 . 1 1 96 96 LYS CA C 96 56.418 56.418 57.122 -0.704 18484 7181 1 16 . 1 1 96 96 LYS CB C 96 35.690 35.690 33.194 2.496 18484 7182 1 16 . 1 1 96 96 LYS H H 96 7.912 7.912 8.246 -0.334 18484 7183 1 16 . 1 1 97 97 GLU N N 97 125.835 125.835 120.094 5.741 18484 7184 1 16 . 1 1 97 97 GLU HA H 97 4.151 4.151 4.141 0.010 18484 7185 1 16 . 1 1 97 97 GLU CA C 97 56.412 56.412 56.574 -0.162 18484 7186 1 16 . 1 1 97 97 GLU CB C 97 29.948 29.948 29.322 0.626 18484 7187 1 16 . 1 1 97 97 GLU H H 97 8.665 8.665 8.087 0.578 18484 7188 1 16 . 1 1 98 98 VAL N N 98 122.204 122.204 123.906 -1.702 18484 7189 1 16 . 1 1 98 98 VAL HA H 98 3.915 3.915 4.191 -0.276 18484 7190 1 16 . 1 1 98 98 VAL CA C 98 60.208 60.208 62.654 -2.446 18484 7191 1 16 . 1 1 98 98 VAL CB C 98 33.692 33.692 32.347 1.345 18484 7192 1 16 . 1 1 98 98 VAL H H 98 8.339 8.339 8.260 0.079 18484 7193 1 16 . 1 1 99 99 ILE N N 99 127.874 127.874 129.617 -1.743 18484 7194 1 16 . 1 1 99 99 ILE HA H 99 4.197 4.197 3.994 0.203 18484 7195 1 16 . 1 1 99 99 ILE CA C 99 60.606 60.606 61.069 -0.463 18484 7196 1 16 . 1 1 99 99 ILE CB C 99 39.186 39.186 37.391 1.795 18484 7197 1 16 . 1 1 99 99 ILE H H 99 8.608 8.608 8.118 0.490 18484 7198 1 16 . 1 1 100 100 ASN N N 100 123.343 123.343 126.523 -3.180 18484 7199 1 16 . 1 1 100 100 ASN HA H 100 4.914 4.914 4.769 0.145 18484 7200 1 16 . 1 1 100 100 ASN CA C 100 53.704 53.704 51.966 1.738 18484 7201 1 16 . 1 1 100 100 ASN CB C 100 37.731 37.731 39.580 -1.849 18484 7202 1 16 . 1 1 100 100 ASN H H 100 8.446 8.446 8.416 0.030 18484 7203 1 16 . 1 1 101 101 GLN N N 101 120.980 120.980 123.663 -2.683 18484 7204 1 16 . 1 1 101 101 GLN HA H 101 4.325 4.325 4.202 0.123 18484 7205 1 16 . 1 1 101 101 GLN CA C 101 54.659 54.659 55.995 -1.335 18484 7206 1 16 . 1 1 101 101 GLN CB C 101 31.616 31.616 28.130 3.486 18484 7207 1 16 . 1 1 101 101 GLN H H 101 8.254 8.254 8.565 -0.311 18484 7208 1 16 . 1 1 102 102 VAL N N 102 127.057 127.057 127.548 -0.491 18484 7209 1 16 . 1 1 102 102 VAL HA H 102 4.965 4.965 4.066 0.899 18484 7210 1 16 . 1 1 102 102 VAL CA C 102 60.264 60.264 62.409 -2.145 18484 7211 1 16 . 1 1 102 102 VAL CB C 102 33.626 33.626 31.738 1.888 18484 7212 1 16 . 1 1 102 102 VAL H H 102 8.742 8.742 8.829 -0.087 18484 7213 1 16 . 1 1 103 103 VAL N N 103 127.794 127.794 121.048 6.746 18484 7214 1 16 . 1 1 103 103 VAL HA H 103 4.812 4.812 5.260 -0.448 18484 7215 1 16 . 1 1 103 103 VAL CA C 103 58.547 58.547 59.443 -0.896 18484 7216 1 16 . 1 1 103 103 VAL CB C 103 35.718 35.718 35.687 0.031 18484 7217 1 16 . 1 1 103 103 VAL H H 103 9.160 9.160 8.122 1.038 18484 7218 1 16 . 1 1 104 104 GLU N N 104 125.160 125.160 124.721 0.439 18484 7219 1 16 . 1 1 104 104 GLU HA H 104 5.513 5.513 4.949 0.564 18484 7220 1 16 . 1 1 104 104 GLU CA C 104 53.721 53.721 54.940 -1.219 18484 7221 1 16 . 1 1 104 104 GLU CB C 104 32.383 32.383 31.591 0.792 18484 7222 1 16 . 1 1 104 104 GLU H H 104 9.085 9.085 8.076 1.009 18484 7223 1 16 . 1 1 105 105 VAL N N 105 117.602 117.602 121.221 -3.619 18484 7224 1 16 . 1 1 105 105 VAL HA H 105 5.241 5.241 4.915 0.326 18484 7225 1 16 . 1 1 105 105 VAL CA C 105 57.055 57.055 59.170 -2.115 18484 7226 1 16 . 1 1 105 105 VAL CB C 105 35.204 35.204 32.629 2.575 18484 7227 1 16 . 1 1 105 105 VAL H H 105 8.536 8.536 9.001 -0.465 18484 7228 1 16 . 1 1 106 106 GLY N N 106 111.023 111.023 111.037 -0.014 18484 7229 1 16 . 1 1 106 106 GLY CA C 106 46.117 46.117 44.319 1.798 18484 7230 1 16 . 1 1 106 106 GLY H H 106 8.635 8.635 8.091 0.544 18484 7231 1 16 . 1 1 107 107 ALA N N 107 127.369 127.369 125.160 2.209 18484 7232 1 16 . 1 1 107 107 ALA HA H 107 4.515 4.515 4.557 -0.042 18484 7233 1 16 . 1 1 107 107 ALA CA C 107 50.477 50.477 50.838 -0.361 18484 7234 1 16 . 1 1 107 107 ALA CB C 107 19.924 19.924 20.104 -0.180 18484 7235 1 16 . 1 1 107 107 ALA H H 107 7.929 7.929 7.858 0.071 18484 7236 1 16 . 1 1 108 108 PRO HA H 108 4.494 4.494 4.610 -0.116 18484 7237 1 16 . 1 1 108 108 PRO CA C 108 61.698 61.698 63.438 -1.740 18484 7238 1 16 . 1 1 108 108 PRO CB C 108 31.900 31.900 32.263 -0.363 18484 7239 1 16 . 1 1 109 109 VAL N N 109 119.821 119.821 120.145 -0.324 18484 7240 1 16 . 1 1 109 109 VAL HA H 109 4.092 4.092 3.604 0.488 18484 7241 1 16 . 1 1 109 109 VAL CA C 109 60.949 60.949 64.432 -3.483 18484 7242 1 16 . 1 1 109 109 VAL CB C 109 32.389 32.389 31.028 1.361 18484 7243 1 16 . 1 1 109 109 VAL H H 109 8.303 8.303 8.573 -0.270 18484 7244 1 16 . 1 1 110 110 THR N N 110 118.171 118.171 115.016 3.155 18484 7245 1 16 . 1 1 110 110 THR HA H 110 4.338 4.338 3.959 0.379 18484 7246 1 16 . 1 1 110 110 THR CA C 110 59.028 59.028 63.468 -4.440 18484 7247 1 16 . 1 1 110 110 THR CB C 110 67.676 67.676 67.636 0.040 18484 7248 1 16 . 1 1 110 110 THR H H 110 8.209 8.209 8.208 0.001 18484 7249 1 17 . 1 1 2 2 GLY N N 2 110.403 110.403 110.117 0.286 18484 7250 1 17 . 1 1 2 2 GLY H H 2 8.459 8.459 8.232 0.227 18484 7251 1 17 . 1 1 10 10 SER HA H 10 4.435 4.435 4.921 -0.486 18484 7252 1 17 . 1 1 11 11 SER CA C 11 57.649 57.649 59.492 -1.843 18484 7253 1 17 . 1 1 11 11 SER CB C 11 62.672 62.672 63.734 -1.062 18484 7254 1 17 . 1 1 12 12 GLY N N 12 110.471 110.471 108.507 1.964 18484 7255 1 17 . 1 1 12 12 GLY CA C 12 45.312 45.312 44.682 0.630 18484 7256 1 17 . 1 1 12 12 GLY H H 12 8.365 8.365 8.524 -0.159 18484 7257 1 17 . 1 1 13 13 LEU N N 13 121.432 121.432 124.335 -2.903 18484 7258 1 17 . 1 1 13 13 LEU HA H 13 4.327 4.327 4.357 -0.030 18484 7259 1 17 . 1 1 13 13 LEU CA C 13 55.573 55.573 54.630 0.943 18484 7260 1 17 . 1 1 13 13 LEU CB C 13 42.428 42.428 40.836 1.592 18484 7261 1 17 . 1 1 13 13 LEU H H 13 8.024 8.024 7.981 0.043 18484 7262 1 17 . 1 1 14 14 VAL N N 14 122.309 122.309 124.700 -2.391 18484 7263 1 17 . 1 1 14 14 VAL H H 14 8.062 8.062 8.581 -0.519 18484 7264 1 17 . 1 1 16 16 ARG N N 16 121.951 121.951 118.036 3.915 18484 7265 1 17 . 1 1 16 16 ARG HA H 16 4.312 4.312 4.416 -0.104 18484 7266 1 17 . 1 1 16 16 ARG CA C 16 56.102 56.102 55.453 0.649 18484 7267 1 17 . 1 1 16 16 ARG CB C 16 30.891 30.891 31.273 -0.382 18484 7268 1 17 . 1 1 16 16 ARG H H 16 8.465 8.465 8.165 0.300 18484 7269 1 17 . 1 1 20 20 MET HA H 20 4.435 4.435 4.423 0.012 18484 7270 1 17 . 1 1 20 20 MET CA C 20 55.500 55.500 55.852 -0.352 18484 7271 1 17 . 1 1 20 20 MET CB C 20 32.070 32.070 33.506 -1.436 18484 7272 1 17 . 1 1 21 21 SER N N 21 117.005 117.005 119.587 -2.582 18484 7273 1 17 . 1 1 21 21 SER HA H 21 4.435 4.435 4.356 0.079 18484 7274 1 17 . 1 1 21 21 SER CA C 21 57.066 57.066 59.272 -2.206 18484 7275 1 17 . 1 1 21 21 SER CB C 21 62.566 62.566 63.811 -1.245 18484 7276 1 17 . 1 1 21 21 SER H H 21 8.332 8.332 8.215 0.117 18484 7277 1 17 . 1 1 22 22 LEU N N 22 124.083 124.083 117.726 6.357 18484 7278 1 17 . 1 1 22 22 LEU HA H 22 4.348 4.348 4.768 -0.420 18484 7279 1 17 . 1 1 22 22 LEU CA C 22 55.471 55.471 55.356 0.115 18484 7280 1 17 . 1 1 22 22 LEU CB C 22 42.322 42.322 42.617 -0.295 18484 7281 1 17 . 1 1 22 22 LEU H H 22 8.340 8.340 8.385 -0.045 18484 7282 1 17 . 1 1 23 23 ASP N N 23 120.867 120.867 117.165 3.702 18484 7283 1 17 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.811 -0.245 18484 7284 1 17 . 1 1 23 23 ASP CA C 23 54.687 54.687 53.644 1.043 18484 7285 1 17 . 1 1 23 23 ASP CB C 23 41.553 41.553 42.093 -0.540 18484 7286 1 17 . 1 1 23 23 ASP H H 23 8.312 8.312 7.813 0.499 18484 7287 1 17 . 1 1 24 24 GLU N N 24 121.470 121.470 118.575 2.895 18484 7288 1 17 . 1 1 24 24 GLU HA H 24 4.566 4.566 4.445 0.121 18484 7289 1 17 . 1 1 24 24 GLU CA C 24 56.921 56.921 56.648 0.273 18484 7290 1 17 . 1 1 24 24 GLU CB C 24 30.015 30.015 31.116 -1.101 18484 7291 1 17 . 1 1 24 24 GLU H H 24 8.411 8.411 8.549 -0.138 18484 7292 1 17 . 1 1 25 25 ASN N N 25 118.582 118.582 118.057 0.525 18484 7293 1 17 . 1 1 25 25 ASN HA H 25 4.707 4.707 4.747 -0.040 18484 7294 1 17 . 1 1 25 25 ASN CA C 25 53.593 53.593 53.372 0.221 18484 7295 1 17 . 1 1 25 25 ASN CB C 25 39.188 39.188 39.008 0.180 18484 7296 1 17 . 1 1 25 25 ASN H H 25 8.436 8.436 8.246 0.190 18484 7297 1 17 . 1 1 26 26 GLU N N 26 121.262 121.262 120.594 0.668 18484 7298 1 17 . 1 1 26 26 GLU HA H 26 4.247 4.247 4.465 -0.218 18484 7299 1 17 . 1 1 26 26 GLU CA C 26 56.310 56.310 55.584 0.726 18484 7300 1 17 . 1 1 26 26 GLU CB C 26 30.342 30.342 31.825 -1.482 18484 7301 1 17 . 1 1 26 26 GLU H H 26 8.196 8.196 8.680 -0.484 18484 7302 1 17 . 1 1 27 27 VAL N N 27 121.381 121.381 123.114 -1.733 18484 7303 1 17 . 1 1 27 27 VAL HA H 27 4.036 4.036 4.256 -0.220 18484 7304 1 17 . 1 1 27 27 VAL CA C 27 62.396 62.396 62.648 -0.252 18484 7305 1 17 . 1 1 27 27 VAL CB C 27 32.770 32.770 31.702 1.068 18484 7306 1 17 . 1 1 27 27 VAL H H 27 8.092 8.092 8.483 -0.391 18484 7307 1 17 . 1 1 28 28 ALA N N 28 127.549 127.549 122.407 5.142 18484 7308 1 17 . 1 1 28 28 ALA HA H 28 4.300 4.300 4.305 -0.005 18484 7309 1 17 . 1 1 28 28 ALA CA C 28 52.388 52.388 52.650 -0.262 18484 7310 1 17 . 1 1 28 28 ALA CB C 28 20.383 20.383 18.740 1.643 18484 7311 1 17 . 1 1 28 28 ALA H H 28 8.280 8.280 8.055 0.225 18484 7312 1 17 . 1 1 29 29 ALA N N 29 122.963 122.963 123.257 -0.294 18484 7313 1 17 . 1 1 29 29 ALA HA H 29 4.257 4.257 4.160 0.097 18484 7314 1 17 . 1 1 29 29 ALA CA C 29 52.737 52.737 53.228 -0.491 18484 7315 1 17 . 1 1 29 29 ALA CB C 29 20.585 20.585 19.078 1.507 18484 7316 1 17 . 1 1 29 29 ALA H H 29 8.182 8.182 8.169 0.013 18484 7317 1 17 . 1 1 30 30 ASN N N 30 117.863 117.863 115.465 2.398 18484 7318 1 17 . 1 1 30 30 ASN HA H 30 4.697 4.697 4.691 0.006 18484 7319 1 17 . 1 1 30 30 ASN CA C 30 53.107 53.107 52.887 0.220 18484 7320 1 17 . 1 1 30 30 ASN CB C 30 38.876 38.876 39.459 -0.583 18484 7321 1 17 . 1 1 30 30 ASN H H 30 8.323 8.323 8.164 0.159 18484 7322 1 17 . 1 1 31 31 VAL N N 31 120.074 120.074 116.622 3.452 18484 7323 1 17 . 1 1 31 31 VAL HA H 31 4.131 4.131 3.762 0.369 18484 7324 1 17 . 1 1 31 31 VAL CA C 31 60.983 60.983 63.697 -2.714 18484 7325 1 17 . 1 1 31 31 VAL CB C 31 32.827 32.827 31.881 0.946 18484 7326 1 17 . 1 1 31 31 VAL H H 31 8.041 8.041 7.802 0.239 18484 7327 1 17 . 1 1 32 32 GLU N N 32 124.378 124.378 120.369 4.009 18484 7328 1 17 . 1 1 32 32 GLU HA H 32 4.339 4.339 4.439 -0.100 18484 7329 1 17 . 1 1 32 32 GLU CA C 32 56.728 56.728 56.653 0.075 18484 7330 1 17 . 1 1 32 32 GLU CB C 32 30.439 30.439 30.712 -0.273 18484 7331 1 17 . 1 1 32 32 GLU H H 32 8.487 8.487 8.680 -0.193 18484 7332 1 17 . 1 1 33 33 THR N N 33 116.772 116.772 117.820 -1.048 18484 7333 1 17 . 1 1 33 33 THR HA H 33 4.312 4.312 4.061 0.251 18484 7334 1 17 . 1 1 33 33 THR CA C 33 60.472 60.472 62.406 -1.934 18484 7335 1 17 . 1 1 33 33 THR CB C 33 68.412 68.412 68.985 -0.573 18484 7336 1 17 . 1 1 33 33 THR H H 33 8.224 8.224 7.797 0.427 18484 7337 1 17 . 1 1 34 34 ARG N N 34 124.955 124.955 121.026 3.929 18484 7338 1 17 . 1 1 34 34 ARG HA H 34 4.732 4.732 4.068 0.664 18484 7339 1 17 . 1 1 34 34 ARG CA C 34 53.635 53.635 56.211 -2.576 18484 7340 1 17 . 1 1 34 34 ARG CB C 34 30.581 30.581 29.266 1.315 18484 7341 1 17 . 1 1 34 34 ARG H H 34 8.438 8.438 8.607 -0.169 18484 7342 1 17 . 1 1 35 35 PRO HA H 35 4.667 4.667 4.377 0.290 18484 7343 1 17 . 1 1 35 35 PRO CA C 35 61.995 61.995 63.857 -1.862 18484 7344 1 17 . 1 1 35 35 PRO CB C 35 32.459 32.459 32.579 -0.120 18484 7345 1 17 . 1 1 36 36 GLU N N 36 121.398 121.398 116.190 5.208 18484 7346 1 17 . 1 1 36 36 GLU HA H 36 4.509 4.509 4.479 0.030 18484 7347 1 17 . 1 1 36 36 GLU CA C 36 55.563 55.563 55.404 0.159 18484 7348 1 17 . 1 1 36 36 GLU CB C 36 31.628 31.628 30.876 0.752 18484 7349 1 17 . 1 1 36 36 GLU H H 36 8.663 8.663 8.070 0.593 18484 7350 1 17 . 1 1 37 37 LEU N N 37 125.233 125.233 122.790 2.443 18484 7351 1 17 . 1 1 37 37 LEU HA H 37 5.240 5.240 4.528 0.712 18484 7352 1 17 . 1 1 37 37 LEU CA C 37 54.120 54.120 54.167 -0.048 18484 7353 1 17 . 1 1 37 37 LEU CB C 37 42.407 42.407 42.528 -0.120 18484 7354 1 17 . 1 1 37 37 LEU H H 37 8.352 8.352 8.587 -0.235 18484 7355 1 17 . 1 1 38 38 ILE N N 38 121.904 121.904 126.395 -4.491 18484 7356 1 17 . 1 1 38 38 ILE HA H 38 4.775 4.775 4.621 0.154 18484 7357 1 17 . 1 1 38 38 ILE CA C 38 58.065 58.065 59.935 -1.870 18484 7358 1 17 . 1 1 38 38 ILE CB C 38 41.790 41.790 40.671 1.119 18484 7359 1 17 . 1 1 38 38 ILE H H 38 9.224 9.224 8.441 0.783 18484 7360 1 17 . 1 1 39 39 THR N N 39 111.692 111.692 113.682 -1.990 18484 7361 1 17 . 1 1 39 39 THR HA H 39 5.443 5.443 5.030 0.413 18484 7362 1 17 . 1 1 39 39 THR CA C 39 57.825 57.825 61.202 -3.377 18484 7363 1 17 . 1 1 39 39 THR CB C 39 70.337 70.337 70.777 -0.440 18484 7364 1 17 . 1 1 39 39 THR H H 39 8.077 8.077 8.238 -0.161 18484 7365 1 17 . 1 1 40 40 ARG N N 40 121.666 121.666 120.755 0.911 18484 7366 1 17 . 1 1 40 40 ARG HA H 40 4.707 4.707 4.620 0.087 18484 7367 1 17 . 1 1 40 40 ARG CA C 40 55.674 55.674 55.414 0.260 18484 7368 1 17 . 1 1 40 40 ARG CB C 40 34.932 34.932 32.824 2.108 18484 7369 1 17 . 1 1 40 40 ARG H H 40 8.558 8.558 9.092 -0.534 18484 7370 1 17 . 1 1 41 41 THR N N 41 115.335 115.335 120.437 -5.102 18484 7371 1 17 . 1 1 41 41 THR HA H 41 5.345 5.345 4.836 0.509 18484 7372 1 17 . 1 1 41 41 THR CA C 41 59.028 59.028 61.542 -2.514 18484 7373 1 17 . 1 1 41 41 THR CB C 41 70.332 70.332 69.592 0.740 18484 7374 1 17 . 1 1 41 41 THR H H 41 8.532 8.532 8.688 -0.156 18484 7375 1 17 . 1 1 42 42 GLU N N 42 122.278 122.278 127.969 -5.691 18484 7376 1 17 . 1 1 42 42 GLU HA H 42 4.705 4.705 4.515 0.190 18484 7377 1 17 . 1 1 42 42 GLU CA C 42 54.318 54.318 53.909 0.409 18484 7378 1 17 . 1 1 42 42 GLU CB C 42 33.984 33.984 31.021 2.963 18484 7379 1 17 . 1 1 42 42 GLU H H 42 9.049 9.049 8.205 0.844 18484 7380 1 17 . 1 1 43 43 GLU N N 43 122.782 122.782 121.351 1.431 18484 7381 1 17 . 1 1 43 43 GLU HA H 43 4.659 4.659 4.179 0.480 18484 7382 1 17 . 1 1 43 43 GLU CA C 43 56.074 56.074 57.304 -1.230 18484 7383 1 17 . 1 1 43 43 GLU CB C 43 31.559 31.559 29.450 2.109 18484 7384 1 17 . 1 1 43 43 GLU H H 43 8.722 8.722 8.547 0.175 18484 7385 1 17 . 1 1 44 44 ILE N N 44 123.255 123.255 127.110 -3.855 18484 7386 1 17 . 1 1 44 44 ILE HA H 44 4.557 4.557 4.472 0.085 18484 7387 1 17 . 1 1 44 44 ILE CA C 44 55.622 55.622 57.873 -2.251 18484 7388 1 17 . 1 1 44 44 ILE CB C 44 40.902 40.902 38.509 2.393 18484 7389 1 17 . 1 1 44 44 ILE H H 44 7.740 7.740 7.860 -0.120 18484 7390 1 17 . 1 1 45 45 PRO HA H 45 4.177 4.177 4.581 -0.404 18484 7391 1 17 . 1 1 45 45 PRO CA C 45 61.978 61.978 62.227 -0.249 18484 7392 1 17 . 1 1 45 45 PRO CB C 45 32.314 32.314 32.232 0.082 18484 7393 1 17 . 1 1 46 46 PHE N N 46 114.670 114.670 116.452 -1.782 18484 7394 1 17 . 1 1 46 46 PHE HA H 46 4.913 4.913 5.008 -0.095 18484 7395 1 17 . 1 1 46 46 PHE CA C 46 54.749 54.749 55.792 -1.043 18484 7396 1 17 . 1 1 46 46 PHE CB C 46 42.057 42.057 41.004 1.053 18484 7397 1 17 . 1 1 46 46 PHE H H 46 6.912 6.912 8.093 -1.181 18484 7398 1 17 . 1 1 47 47 GLU N N 47 120.217 120.217 118.757 1.460 18484 7399 1 17 . 1 1 47 47 GLU HA H 47 4.600 4.600 4.364 0.236 18484 7400 1 17 . 1 1 47 47 GLU CA C 47 54.771 54.771 55.451 -0.680 18484 7401 1 17 . 1 1 47 47 GLU CB C 47 32.338 32.338 32.884 -0.546 18484 7402 1 17 . 1 1 47 47 GLU H H 47 8.271 8.271 8.564 -0.293 18484 7403 1 17 . 1 1 48 48 VAL N N 48 121.331 121.331 123.011 -1.680 18484 7404 1 17 . 1 1 48 48 VAL HA H 48 4.734 4.734 4.303 0.431 18484 7405 1 17 . 1 1 48 48 VAL CA C 48 61.472 61.472 62.265 -0.793 18484 7406 1 17 . 1 1 48 48 VAL CB C 48 32.699 32.699 32.410 0.289 18484 7407 1 17 . 1 1 48 48 VAL H H 48 8.625 8.625 8.634 -0.009 18484 7408 1 17 . 1 1 49 49 ILE N N 49 132.310 132.310 125.922 6.388 18484 7409 1 17 . 1 1 49 49 ILE HA H 49 4.205 4.205 4.509 -0.304 18484 7410 1 17 . 1 1 49 49 ILE CA C 49 58.886 58.886 60.248 -1.362 18484 7411 1 17 . 1 1 49 49 ILE CB C 49 39.037 39.037 42.077 -3.040 18484 7412 1 17 . 1 1 49 49 ILE H H 49 9.505 9.505 8.321 1.184 18484 7413 1 17 . 1 1 50 50 LYS N N 50 125.764 125.764 122.723 3.041 18484 7414 1 17 . 1 1 50 50 LYS HA H 50 5.284 5.284 4.984 0.300 18484 7415 1 17 . 1 1 50 50 LYS CA C 50 54.802 54.802 55.171 -0.369 18484 7416 1 17 . 1 1 50 50 LYS CB C 50 34.186 34.186 33.281 0.905 18484 7417 1 17 . 1 1 50 50 LYS H H 50 8.507 8.507 8.414 0.093 18484 7418 1 17 . 1 1 51 51 LYS N N 51 124.935 124.935 125.922 -0.987 18484 7419 1 17 . 1 1 51 51 LYS HA H 51 4.608 4.608 4.571 0.037 18484 7420 1 17 . 1 1 51 51 LYS CA C 51 54.006 54.006 54.098 -0.092 18484 7421 1 17 . 1 1 51 51 LYS CB C 51 34.756 34.756 35.558 -0.802 18484 7422 1 17 . 1 1 51 51 LYS H H 51 9.066 9.066 8.215 0.851 18484 7423 1 17 . 1 1 52 52 GLU N N 52 124.186 124.186 123.204 0.982 18484 7424 1 17 . 1 1 52 52 GLU HA H 52 4.621 4.621 4.677 -0.056 18484 7425 1 17 . 1 1 52 52 GLU CA C 52 55.931 55.931 55.644 0.287 18484 7426 1 17 . 1 1 52 52 GLU CB C 52 31.036 31.036 30.206 0.830 18484 7427 1 17 . 1 1 52 52 GLU H H 52 8.777 8.777 8.673 0.104 18484 7428 1 17 . 1 1 53 53 ASN N N 53 121.687 121.687 121.368 0.319 18484 7429 1 17 . 1 1 53 53 ASN HA H 53 5.240 5.240 5.032 0.208 18484 7430 1 17 . 1 1 53 53 ASN CA C 53 49.409 49.409 50.192 -0.783 18484 7431 1 17 . 1 1 53 53 ASN CB C 53 40.473 40.473 40.172 0.301 18484 7432 1 17 . 1 1 53 53 ASN H H 53 8.890 8.890 9.085 -0.195 18484 7433 1 17 . 1 1 54 54 PRO HA H 54 4.587 4.587 4.551 0.036 18484 7434 1 17 . 1 1 54 54 PRO CA C 54 62.650 62.650 63.753 -1.103 18484 7435 1 17 . 1 1 54 54 PRO CB C 54 32.219 32.219 30.591 1.628 18484 7436 1 17 . 1 1 55 55 ASN N N 55 115.629 115.629 119.509 -3.880 18484 7437 1 17 . 1 1 55 55 ASN HA H 55 4.695 4.695 4.667 0.028 18484 7438 1 17 . 1 1 55 55 ASN CA C 55 53.685 53.685 53.532 0.153 18484 7439 1 17 . 1 1 55 55 ASN CB C 55 39.137 39.137 39.855 -0.717 18484 7440 1 17 . 1 1 55 55 ASN H H 55 8.422 8.422 8.397 0.025 18484 7441 1 17 . 1 1 56 56 LEU N N 56 121.277 121.277 123.341 -2.064 18484 7442 1 17 . 1 1 56 56 LEU HA H 56 4.686 4.686 4.435 0.251 18484 7443 1 17 . 1 1 56 56 LEU CA C 56 52.145 52.145 54.736 -2.591 18484 7444 1 17 . 1 1 56 56 LEU CB C 56 42.456 42.456 40.964 1.492 18484 7445 1 17 . 1 1 56 56 LEU H H 56 7.278 7.278 7.460 -0.182 18484 7446 1 17 . 1 1 57 57 PRO HA H 57 4.298 4.298 4.422 -0.124 18484 7447 1 17 . 1 1 57 57 PRO CA C 57 61.332 61.332 62.558 -1.226 18484 7448 1 17 . 1 1 57 57 PRO CB C 57 32.232 32.232 29.598 2.634 18484 7449 1 17 . 1 1 58 58 ALA N N 58 123.896 123.896 121.505 2.391 18484 7450 1 17 . 1 1 58 58 ALA HA H 58 3.892 3.892 4.007 -0.115 18484 7451 1 17 . 1 1 58 58 ALA CA C 58 53.559 53.559 52.373 1.186 18484 7452 1 17 . 1 1 58 58 ALA CB C 58 19.480 19.480 18.898 0.582 18484 7453 1 17 . 1 1 58 58 ALA H H 58 8.263 8.263 7.818 0.445 18484 7454 1 17 . 1 1 59 59 GLY N N 59 110.843 110.843 110.724 0.119 18484 7455 1 17 . 1 1 59 59 GLY CA C 59 45.339 45.339 45.643 -0.304 18484 7456 1 17 . 1 1 59 59 GLY H H 59 8.755 8.755 8.445 0.310 18484 7457 1 17 . 1 1 60 60 GLN N N 60 121.444 121.444 119.311 2.133 18484 7458 1 17 . 1 1 60 60 GLN HA H 60 4.251 4.251 4.483 -0.232 18484 7459 1 17 . 1 1 60 60 GLN CA C 60 56.080 56.080 55.237 0.843 18484 7460 1 17 . 1 1 60 60 GLN CB C 60 29.876 29.876 31.320 -1.444 18484 7461 1 17 . 1 1 60 60 GLN H H 60 7.877 7.877 8.077 -0.200 18484 7462 1 17 . 1 1 61 61 GLU N N 61 123.364 123.364 124.982 -1.618 18484 7463 1 17 . 1 1 61 61 GLU HA H 61 5.241 5.241 4.635 0.606 18484 7464 1 17 . 1 1 61 61 GLU CA C 61 55.012 55.012 55.288 -0.277 18484 7465 1 17 . 1 1 61 61 GLU CB C 61 32.368 32.368 31.422 0.946 18484 7466 1 17 . 1 1 61 61 GLU H H 61 8.419 8.419 8.708 -0.289 18484 7467 1 17 . 1 1 62 62 ASN N N 62 121.499 121.499 123.167 -1.668 18484 7468 1 17 . 1 1 62 62 ASN HA H 62 5.078 5.078 4.963 0.115 18484 7469 1 17 . 1 1 62 62 ASN CA C 62 51.617 51.617 52.097 -0.480 18484 7470 1 17 . 1 1 62 62 ASN CB C 62 40.999 40.999 40.919 0.080 18484 7471 1 17 . 1 1 62 62 ASN H H 62 9.164 9.164 8.468 0.696 18484 7472 1 17 . 1 1 63 63 ILE N N 63 125.976 125.976 120.134 5.842 18484 7473 1 17 . 1 1 63 63 ILE HA H 63 3.979 3.979 4.407 -0.428 18484 7474 1 17 . 1 1 63 63 ILE CA C 63 61.650 61.650 59.447 2.203 18484 7475 1 17 . 1 1 63 63 ILE CB C 63 37.404 37.404 36.943 0.461 18484 7476 1 17 . 1 1 63 63 ILE H H 63 9.032 9.032 8.573 0.459 18484 7477 1 17 . 1 1 64 64 ILE N N 64 130.073 130.073 127.984 2.089 18484 7478 1 17 . 1 1 64 64 ILE HA H 64 4.139 4.139 3.956 0.183 18484 7479 1 17 . 1 1 64 64 ILE CA C 64 60.699 60.699 63.232 -2.533 18484 7480 1 17 . 1 1 64 64 ILE CB C 64 38.029 38.029 38.469 -0.440 18484 7481 1 17 . 1 1 64 64 ILE H H 64 8.876 8.876 8.252 0.624 18484 7482 1 17 . 1 1 65 65 THR N N 65 116.771 116.771 114.497 2.274 18484 7483 1 17 . 1 1 65 65 THR HA H 65 4.349 4.349 4.439 -0.090 18484 7484 1 17 . 1 1 65 65 THR CA C 65 60.066 60.066 61.710 -1.644 18484 7485 1 17 . 1 1 65 65 THR CB C 65 71.059 71.059 69.595 1.464 18484 7486 1 17 . 1 1 65 65 THR H H 65 7.699 7.699 7.628 0.071 18484 7487 1 17 . 1 1 66 66 ALA N N 66 130.117 130.117 128.334 1.783 18484 7488 1 17 . 1 1 66 66 ALA HA H 66 3.928 3.928 4.104 -0.176 18484 7489 1 17 . 1 1 66 66 ALA CA C 66 51.617 51.617 52.715 -1.098 18484 7490 1 17 . 1 1 66 66 ALA CB C 66 19.653 19.653 19.442 0.211 18484 7491 1 17 . 1 1 66 66 ALA H H 66 8.579 8.579 8.238 0.341 18484 7492 1 17 . 1 1 67 67 GLY N N 67 107.619 107.619 108.738 -1.119 18484 7493 1 17 . 1 1 67 67 GLY CA C 67 43.606 43.606 44.064 -0.458 18484 7494 1 17 . 1 1 67 67 GLY H H 67 8.387 8.387 7.842 0.545 18484 7495 1 17 . 1 1 68 68 VAL N N 68 123.776 123.776 123.034 0.742 18484 7496 1 17 . 1 1 68 68 VAL HA H 68 4.124 4.124 4.073 0.051 18484 7497 1 17 . 1 1 68 68 VAL CA C 68 60.443 60.443 59.963 0.480 18484 7498 1 17 . 1 1 68 68 VAL CB C 68 34.972 34.972 36.066 -1.094 18484 7499 1 17 . 1 1 68 68 VAL H H 68 8.966 8.966 8.281 0.685 18484 7500 1 17 . 1 1 69 69 LYS N N 69 125.803 125.803 127.001 -1.198 18484 7501 1 17 . 1 1 69 69 LYS HA H 69 4.448 4.448 4.279 0.169 18484 7502 1 17 . 1 1 69 69 LYS CA C 69 57.012 57.012 57.735 -0.723 18484 7503 1 17 . 1 1 69 69 LYS CB C 69 33.410 33.410 32.806 0.604 18484 7504 1 17 . 1 1 69 69 LYS H H 69 8.799 8.799 8.797 0.002 18484 7505 1 17 . 1 1 70 70 GLY N N 70 108.188 108.188 113.437 -5.249 18484 7506 1 17 . 1 1 70 70 GLY CA C 70 43.549 43.549 44.103 -0.554 18484 7507 1 17 . 1 1 70 70 GLY H H 70 8.858 8.858 8.078 0.780 18484 7508 1 17 . 1 1 71 71 GLU N N 71 123.030 123.030 118.459 4.571 18484 7509 1 17 . 1 1 71 71 GLU HA H 71 5.059 5.059 4.653 0.406 18484 7510 1 17 . 1 1 71 71 GLU CA C 71 56.146 56.146 55.723 0.423 18484 7511 1 17 . 1 1 71 71 GLU CB C 71 36.142 36.142 34.520 1.622 18484 7512 1 17 . 1 1 71 71 GLU H H 71 9.538 9.538 8.696 0.842 18484 7513 1 17 . 1 1 72 72 ARG N N 72 126.426 126.426 122.522 3.904 18484 7514 1 17 . 1 1 72 72 ARG HA H 72 5.059 5.059 4.872 0.187 18484 7515 1 17 . 1 1 72 72 ARG CA C 72 54.001 54.001 54.992 -0.991 18484 7516 1 17 . 1 1 72 72 ARG CB C 72 33.500 33.500 33.770 -0.270 18484 7517 1 17 . 1 1 72 72 ARG H H 72 9.191 9.191 8.449 0.742 18484 7518 1 17 . 1 1 73 73 THR N N 73 120.983 120.983 124.449 -3.466 18484 7519 1 17 . 1 1 73 73 THR HA H 73 4.522 4.522 4.517 0.005 18484 7520 1 17 . 1 1 73 73 THR CA C 73 60.953 60.953 64.245 -3.292 18484 7521 1 17 . 1 1 73 73 THR CB C 73 68.412 68.412 69.590 -1.178 18484 7522 1 17 . 1 1 73 73 THR H H 73 9.249 9.249 8.805 0.444 18484 7523 1 17 . 1 1 74 74 HIS N N 74 125.685 125.685 126.305 -0.620 18484 7524 1 17 . 1 1 74 74 HIS HA H 74 5.153 5.153 4.496 0.657 18484 7525 1 17 . 1 1 74 74 HIS CA C 74 54.487 54.487 55.415 -0.928 18484 7526 1 17 . 1 1 74 74 HIS CB C 74 32.997 32.997 31.270 1.727 18484 7527 1 17 . 1 1 74 74 HIS H H 74 9.056 9.056 8.654 0.402 18484 7528 1 17 . 1 1 75 75 TYR N N 75 123.688 123.688 125.291 -1.603 18484 7529 1 17 . 1 1 75 75 TYR HA H 75 4.868 4.868 4.828 0.040 18484 7530 1 17 . 1 1 75 75 TYR CA C 75 56.499 56.499 54.416 2.083 18484 7531 1 17 . 1 1 75 75 TYR CB C 75 38.425 38.425 36.248 2.177 18484 7532 1 17 . 1 1 75 75 TYR H H 75 8.945 8.945 7.683 1.262 18484 7533 1 17 . 1 1 76 76 ILE N N 76 125.717 125.717 124.439 1.278 18484 7534 1 17 . 1 1 76 76 ILE HA H 76 4.800 4.800 4.400 0.400 18484 7535 1 17 . 1 1 76 76 ILE CA C 76 58.787 58.787 59.862 -1.075 18484 7536 1 17 . 1 1 76 76 ILE CB C 76 42.034 42.034 39.304 2.730 18484 7537 1 17 . 1 1 76 76 ILE H H 76 9.079 9.079 7.895 1.184 18484 7538 1 17 . 1 1 77 77 SER N N 77 120.473 120.473 120.443 0.030 18484 7539 1 17 . 1 1 77 77 SER HA H 77 5.183 5.183 4.585 0.598 18484 7540 1 17 . 1 1 77 77 SER CA C 77 55.930 55.930 58.247 -2.317 18484 7541 1 17 . 1 1 77 77 SER CB C 77 63.118 63.118 63.781 -0.663 18484 7542 1 17 . 1 1 77 77 SER H H 77 9.047 9.047 8.340 0.707 18484 7543 1 17 . 1 1 78 78 VAL N N 78 128.488 128.488 126.712 1.776 18484 7544 1 17 . 1 1 78 78 VAL HA H 78 4.729 4.729 4.006 0.723 18484 7545 1 17 . 1 1 78 78 VAL CA C 78 60.517 60.517 63.138 -2.621 18484 7546 1 17 . 1 1 78 78 VAL CB C 78 33.685 33.685 31.791 1.894 18484 7547 1 17 . 1 1 78 78 VAL H H 78 9.301 9.301 8.045 1.256 18484 7548 1 17 . 1 1 79 79 LEU N N 79 129.698 129.698 131.266 -1.568 18484 7549 1 17 . 1 1 79 79 LEU HA H 79 4.783 4.783 4.695 0.088 18484 7550 1 17 . 1 1 79 79 LEU CA C 79 53.873 53.873 53.760 0.113 18484 7551 1 17 . 1 1 79 79 LEU CB C 79 45.605 45.605 41.629 3.976 18484 7552 1 17 . 1 1 79 79 LEU H H 79 8.553 8.553 8.131 0.422 18484 7553 1 17 . 1 1 80 80 THR N N 80 123.276 123.276 120.579 2.697 18484 7554 1 17 . 1 1 80 80 THR HA H 80 5.096 5.096 4.415 0.681 18484 7555 1 17 . 1 1 80 80 THR CA C 80 60.231 60.231 63.286 -3.055 18484 7556 1 17 . 1 1 80 80 THR CB C 80 68.171 68.171 69.425 -1.254 18484 7557 1 17 . 1 1 80 80 THR H H 80 8.754 8.754 8.560 0.194 18484 7558 1 17 . 1 1 81 81 GLU N N 81 125.405 125.405 127.155 -1.750 18484 7559 1 17 . 1 1 81 81 GLU HA H 81 4.530 4.530 4.467 0.063 18484 7560 1 17 . 1 1 81 81 GLU CA C 81 55.372 55.372 55.661 -0.289 18484 7561 1 17 . 1 1 81 81 GLU CB C 81 32.374 32.374 31.395 0.979 18484 7562 1 17 . 1 1 81 81 GLU H H 81 8.615 8.615 8.585 0.030 18484 7563 1 17 . 1 1 82 82 ASN N N 82 124.375 124.375 123.383 0.992 18484 7564 1 17 . 1 1 82 82 ASN HA H 82 4.360 4.360 4.473 -0.113 18484 7565 1 17 . 1 1 82 82 ASN CA C 82 54.328 54.328 53.483 0.845 18484 7566 1 17 . 1 1 82 82 ASN CB C 82 37.432 37.432 38.075 -0.644 18484 7567 1 17 . 1 1 82 82 ASN H H 82 9.559 9.559 8.918 0.641 18484 7568 1 17 . 1 1 83 83 GLY N N 83 103.733 103.733 104.572 -0.839 18484 7569 1 17 . 1 1 83 83 GLY CA C 83 45.359 45.359 44.960 0.399 18484 7570 1 17 . 1 1 83 83 GLY H H 83 8.626 8.626 8.208 0.418 18484 7571 1 17 . 1 1 84 84 LYS N N 84 121.407 121.407 119.732 1.675 18484 7572 1 17 . 1 1 84 84 LYS HA H 84 4.698 4.698 4.589 0.109 18484 7573 1 17 . 1 1 84 84 LYS CA C 84 55.182 55.182 55.324 -0.142 18484 7574 1 17 . 1 1 84 84 LYS CB C 84 34.807 34.807 35.095 -0.288 18484 7575 1 17 . 1 1 84 84 LYS H H 84 7.813 7.813 7.658 0.155 18484 7576 1 17 . 1 1 85 85 THR N N 85 121.799 121.799 118.440 3.359 18484 7577 1 17 . 1 1 85 85 THR HA H 85 5.194 5.194 4.377 0.817 18484 7578 1 17 . 1 1 85 85 THR CA C 85 60.472 60.472 61.926 -1.454 18484 7579 1 17 . 1 1 85 85 THR CB C 85 69.134 69.134 68.926 0.208 18484 7580 1 17 . 1 1 85 85 THR H H 85 8.796 8.796 8.471 0.325 18484 7581 1 17 . 1 1 86 86 THR N N 86 122.071 122.071 122.023 0.048 18484 7582 1 17 . 1 1 86 86 THR HA H 86 4.535 4.535 4.440 0.095 18484 7583 1 17 . 1 1 86 86 THR CA C 86 59.990 59.990 62.054 -2.064 18484 7584 1 17 . 1 1 86 86 THR CB C 86 69.856 69.856 70.094 -0.238 18484 7585 1 17 . 1 1 86 86 THR H H 86 9.134 9.134 8.047 1.087 18484 7586 1 17 . 1 1 87 87 GLU N N 87 126.429 126.429 125.347 1.082 18484 7587 1 17 . 1 1 87 87 GLU HA H 87 5.030 5.030 4.649 0.381 18484 7588 1 17 . 1 1 87 87 GLU CA C 87 55.029 55.029 54.774 0.255 18484 7589 1 17 . 1 1 87 87 GLU CB C 87 31.746 31.746 29.625 2.121 18484 7590 1 17 . 1 1 87 87 GLU H H 87 8.905 8.905 8.581 0.324 18484 7591 1 17 . 1 1 88 88 THR N N 88 120.353 120.353 120.600 -0.247 18484 7592 1 17 . 1 1 88 88 THR HA H 88 4.450 4.450 4.473 -0.023 18484 7593 1 17 . 1 1 88 88 THR CA C 88 60.472 60.472 61.090 -0.618 18484 7594 1 17 . 1 1 88 88 THR CB C 88 70.646 70.646 70.391 0.255 18484 7595 1 17 . 1 1 88 88 THR H H 88 9.016 9.016 8.384 0.632 18484 7596 1 17 . 1 1 89 89 VAL N N 89 128.484 128.484 127.641 0.843 18484 7597 1 17 . 1 1 89 89 VAL HA H 89 3.978 3.978 3.909 0.069 18484 7598 1 17 . 1 1 89 89 VAL CA C 89 62.471 62.471 63.622 -1.151 18484 7599 1 17 . 1 1 89 89 VAL CB C 89 31.216 31.216 32.062 -0.846 18484 7600 1 17 . 1 1 89 89 VAL H H 89 9.054 9.054 8.809 0.245 18484 7601 1 17 . 1 1 90 90 LEU N N 90 130.587 130.587 129.924 0.663 18484 7602 1 17 . 1 1 90 90 LEU HA H 90 4.325 4.325 4.577 -0.252 18484 7603 1 17 . 1 1 90 90 LEU CA C 90 56.129 56.129 54.890 1.239 18484 7604 1 17 . 1 1 90 90 LEU CB C 90 42.958 42.958 43.148 -0.189 18484 7605 1 17 . 1 1 90 90 LEU H H 90 9.426 9.426 8.711 0.715 18484 7606 1 17 . 1 1 91 91 ASP N N 91 114.928 114.928 116.298 -1.370 18484 7607 1 17 . 1 1 91 91 ASP HA H 91 4.846 4.846 4.682 0.164 18484 7608 1 17 . 1 1 91 91 ASP CA C 91 53.688 53.688 54.367 -0.679 18484 7609 1 17 . 1 1 91 91 ASP CB C 91 43.521 43.521 43.582 -0.061 18484 7610 1 17 . 1 1 91 91 ASP H H 91 7.924 7.924 7.809 0.115 18484 7611 1 17 . 1 1 92 92 SER N N 92 117.203 117.203 116.453 0.750 18484 7612 1 17 . 1 1 92 92 SER HA H 92 5.519 5.519 2.785 2.734 18484 7613 1 17 . 1 1 92 92 SER CA C 92 56.622 56.622 56.242 0.380 18484 7614 1 17 . 1 1 92 92 SER CB C 92 63.359 63.359 65.396 -2.037 18484 7615 1 17 . 1 1 92 92 SER H H 92 8.376 8.376 7.979 0.397 18484 7616 1 17 . 1 1 93 93 GLN N N 93 122.058 122.058 120.728 1.330 18484 7617 1 17 . 1 1 93 93 GLN HA H 93 4.731 4.731 4.501 0.230 18484 7618 1 17 . 1 1 93 93 GLN CA C 93 54.781 54.781 54.578 0.203 18484 7619 1 17 . 1 1 93 93 GLN CB C 93 33.312 33.312 32.234 1.078 18484 7620 1 17 . 1 1 93 93 GLN H H 93 9.005 9.005 8.011 0.994 18484 7621 1 17 . 1 1 94 94 VAL N N 94 125.231 125.231 120.593 4.638 18484 7622 1 17 . 1 1 94 94 VAL HA H 94 4.233 4.233 4.178 0.055 18484 7623 1 17 . 1 1 94 94 VAL CA C 94 63.282 63.282 61.853 1.429 18484 7624 1 17 . 1 1 94 94 VAL CB C 94 30.906 30.906 31.508 -0.602 18484 7625 1 17 . 1 1 94 94 VAL H H 94 9.085 9.085 8.306 0.779 18484 7626 1 17 . 1 1 95 95 THR N N 95 121.170 121.170 122.350 -1.180 18484 7627 1 17 . 1 1 95 95 THR HA H 95 4.384 4.384 4.563 -0.179 18484 7628 1 17 . 1 1 95 95 THR CA C 95 60.953 60.953 61.158 -0.205 18484 7629 1 17 . 1 1 95 95 THR CB C 95 68.653 68.653 68.052 0.601 18484 7630 1 17 . 1 1 95 95 THR H H 95 8.521 8.521 8.167 0.354 18484 7631 1 17 . 1 1 96 96 LYS N N 96 123.236 123.236 121.541 1.695 18484 7632 1 17 . 1 1 96 96 LYS HA H 96 4.418 4.418 4.075 0.343 18484 7633 1 17 . 1 1 96 96 LYS CA C 96 56.418 56.418 56.625 -0.207 18484 7634 1 17 . 1 1 96 96 LYS CB C 96 35.690 35.690 31.160 4.530 18484 7635 1 17 . 1 1 96 96 LYS H H 96 7.912 7.912 8.277 -0.365 18484 7636 1 17 . 1 1 97 97 GLU N N 97 125.835 125.835 120.767 5.068 18484 7637 1 17 . 1 1 97 97 GLU HA H 97 4.151 4.151 4.061 0.090 18484 7638 1 17 . 1 1 97 97 GLU CA C 97 56.412 56.412 57.389 -0.977 18484 7639 1 17 . 1 1 97 97 GLU CB C 97 29.948 29.948 30.025 -0.077 18484 7640 1 17 . 1 1 97 97 GLU H H 97 8.665 8.665 8.551 0.114 18484 7641 1 17 . 1 1 98 98 VAL N N 98 122.204 122.204 126.725 -4.521 18484 7642 1 17 . 1 1 98 98 VAL HA H 98 3.915 3.915 4.138 -0.223 18484 7643 1 17 . 1 1 98 98 VAL CA C 98 60.208 60.208 62.861 -2.653 18484 7644 1 17 . 1 1 98 98 VAL CB C 98 33.692 33.692 32.402 1.290 18484 7645 1 17 . 1 1 98 98 VAL H H 98 8.339 8.339 8.361 -0.022 18484 7646 1 17 . 1 1 99 99 ILE N N 99 127.874 127.874 130.018 -2.144 18484 7647 1 17 . 1 1 99 99 ILE HA H 99 4.197 4.197 3.966 0.231 18484 7648 1 17 . 1 1 99 99 ILE CA C 99 60.606 60.606 60.843 -0.237 18484 7649 1 17 . 1 1 99 99 ILE CB C 99 39.186 39.186 36.876 2.310 18484 7650 1 17 . 1 1 99 99 ILE H H 99 8.608 8.608 7.994 0.614 18484 7651 1 17 . 1 1 100 100 ASN N N 100 123.343 123.343 127.099 -3.756 18484 7652 1 17 . 1 1 100 100 ASN HA H 100 4.914 4.914 4.912 0.002 18484 7653 1 17 . 1 1 100 100 ASN CA C 100 53.704 53.704 51.841 1.863 18484 7654 1 17 . 1 1 100 100 ASN CB C 100 37.731 37.731 39.311 -1.580 18484 7655 1 17 . 1 1 100 100 ASN H H 100 8.446 8.446 8.483 -0.037 18484 7656 1 17 . 1 1 101 101 GLN N N 101 120.980 120.980 122.833 -1.853 18484 7657 1 17 . 1 1 101 101 GLN HA H 101 4.325 4.325 4.429 -0.104 18484 7658 1 17 . 1 1 101 101 GLN CA C 101 54.659 54.659 56.404 -1.744 18484 7659 1 17 . 1 1 101 101 GLN CB C 101 31.616 31.616 29.324 2.292 18484 7660 1 17 . 1 1 101 101 GLN H H 101 8.254 8.254 8.673 -0.419 18484 7661 1 17 . 1 1 102 102 VAL N N 102 127.057 127.057 121.258 5.799 18484 7662 1 17 . 1 1 102 102 VAL HA H 102 4.965 4.965 4.457 0.508 18484 7663 1 17 . 1 1 102 102 VAL CA C 102 60.264 60.264 60.845 -0.581 18484 7664 1 17 . 1 1 102 102 VAL CB C 102 33.626 33.626 32.028 1.598 18484 7665 1 17 . 1 1 102 102 VAL H H 102 8.742 8.742 7.908 0.834 18484 7666 1 17 . 1 1 103 103 VAL N N 103 127.794 127.794 121.758 6.036 18484 7667 1 17 . 1 1 103 103 VAL HA H 103 4.812 4.812 4.950 -0.138 18484 7668 1 17 . 1 1 103 103 VAL CA C 103 58.547 58.547 59.789 -1.242 18484 7669 1 17 . 1 1 103 103 VAL CB C 103 35.718 35.718 33.438 2.280 18484 7670 1 17 . 1 1 103 103 VAL H H 103 9.160 9.160 7.600 1.560 18484 7671 1 17 . 1 1 104 104 GLU N N 104 125.160 125.160 127.593 -2.433 18484 7672 1 17 . 1 1 104 104 GLU HA H 104 5.513 5.513 4.694 0.819 18484 7673 1 17 . 1 1 104 104 GLU CA C 104 53.721 53.721 55.754 -2.033 18484 7674 1 17 . 1 1 104 104 GLU CB C 104 32.383 32.383 29.840 2.542 18484 7675 1 17 . 1 1 104 104 GLU H H 104 9.085 9.085 8.747 0.338 18484 7676 1 17 . 1 1 105 105 VAL N N 105 117.602 117.602 125.613 -8.011 18484 7677 1 17 . 1 1 105 105 VAL HA H 105 5.241 5.241 4.721 0.520 18484 7678 1 17 . 1 1 105 105 VAL CA C 105 57.055 57.055 61.006 -3.951 18484 7679 1 17 . 1 1 105 105 VAL CB C 105 35.204 35.204 32.621 2.583 18484 7680 1 17 . 1 1 105 105 VAL H H 105 8.536 8.536 9.111 -0.575 18484 7681 1 17 . 1 1 106 106 GLY N N 106 111.023 111.023 112.444 -1.421 18484 7682 1 17 . 1 1 106 106 GLY CA C 106 46.117 46.117 45.335 0.782 18484 7683 1 17 . 1 1 106 106 GLY H H 106 8.635 8.635 7.998 0.637 18484 7684 1 17 . 1 1 107 107 ALA N N 107 127.369 127.369 128.126 -0.757 18484 7685 1 17 . 1 1 107 107 ALA HA H 107 4.515 4.515 4.114 0.401 18484 7686 1 17 . 1 1 107 107 ALA CA C 107 50.477 50.477 52.148 -1.671 18484 7687 1 17 . 1 1 107 107 ALA CB C 107 19.924 19.924 17.670 2.254 18484 7688 1 17 . 1 1 107 107 ALA H H 107 7.929 7.929 7.749 0.180 18484 7689 1 17 . 1 1 108 108 PRO HA H 108 4.494 4.494 4.281 0.213 18484 7690 1 17 . 1 1 108 108 PRO CA C 108 61.698 61.698 65.384 -3.686 18484 7691 1 17 . 1 1 108 108 PRO CB C 108 31.900 31.900 32.282 -0.382 18484 7692 1 17 . 1 1 109 109 VAL N N 109 119.821 119.821 110.159 9.662 18484 7693 1 17 . 1 1 109 109 VAL HA H 109 4.092 4.092 4.291 -0.199 18484 7694 1 17 . 1 1 109 109 VAL CA C 109 60.949 60.949 62.394 -1.445 18484 7695 1 17 . 1 1 109 109 VAL CB C 109 32.389 32.389 32.026 0.363 18484 7696 1 17 . 1 1 109 109 VAL H H 109 8.303 8.303 7.390 0.913 18484 7697 1 17 . 1 1 110 110 THR N N 110 118.171 118.171 114.782 3.389 18484 7698 1 17 . 1 1 110 110 THR HA H 110 4.338 4.338 4.279 0.059 18484 7699 1 17 . 1 1 110 110 THR CA C 110 59.028 59.028 62.668 -3.640 18484 7700 1 17 . 1 1 110 110 THR CB C 110 67.676 67.676 68.095 -0.419 18484 7701 1 17 . 1 1 110 110 THR H H 110 8.209 8.209 8.109 0.100 18484 7702 1 18 . 1 1 2 2 GLY N N 2 110.403 110.403 110.063 0.340 18484 7703 1 18 . 1 1 2 2 GLY H H 2 8.459 8.459 8.543 -0.084 18484 7704 1 18 . 1 1 10 10 SER HA H 10 4.435 4.435 4.179 0.256 18484 7705 1 18 . 1 1 11 11 SER CA C 11 57.649 57.649 58.440 -0.791 18484 7706 1 18 . 1 1 11 11 SER CB C 11 62.672 62.672 63.304 -0.632 18484 7707 1 18 . 1 1 12 12 GLY N N 12 110.471 110.471 108.150 2.321 18484 7708 1 18 . 1 1 12 12 GLY CA C 12 45.312 45.312 45.163 0.149 18484 7709 1 18 . 1 1 12 12 GLY H H 12 8.365 8.365 8.490 -0.125 18484 7710 1 18 . 1 1 13 13 LEU N N 13 121.432 121.432 118.485 2.947 18484 7711 1 18 . 1 1 13 13 LEU HA H 13 4.327 4.327 4.479 -0.152 18484 7712 1 18 . 1 1 13 13 LEU CA C 13 55.573 55.573 54.206 1.367 18484 7713 1 18 . 1 1 13 13 LEU CB C 13 42.428 42.428 43.564 -1.136 18484 7714 1 18 . 1 1 13 13 LEU H H 13 8.024 8.024 7.848 0.176 18484 7715 1 18 . 1 1 14 14 VAL N N 14 122.309 122.309 118.631 3.678 18484 7716 1 18 . 1 1 14 14 VAL H H 14 8.062 8.062 8.137 -0.075 18484 7717 1 18 . 1 1 16 16 ARG N N 16 121.951 121.951 120.305 1.646 18484 7718 1 18 . 1 1 16 16 ARG HA H 16 4.312 4.312 4.252 0.060 18484 7719 1 18 . 1 1 16 16 ARG CA C 16 56.102 56.102 57.358 -1.256 18484 7720 1 18 . 1 1 16 16 ARG CB C 16 30.891 30.891 30.216 0.675 18484 7721 1 18 . 1 1 16 16 ARG H H 16 8.465 8.465 8.179 0.286 18484 7722 1 18 . 1 1 20 20 MET HA H 20 4.435 4.435 4.711 -0.276 18484 7723 1 18 . 1 1 20 20 MET CA C 20 55.500 55.500 55.019 0.481 18484 7724 1 18 . 1 1 20 20 MET CB C 20 32.070 32.070 32.951 -0.881 18484 7725 1 18 . 1 1 21 21 SER N N 21 117.005 117.005 118.986 -1.981 18484 7726 1 18 . 1 1 21 21 SER HA H 21 4.435 4.435 4.690 -0.255 18484 7727 1 18 . 1 1 21 21 SER CA C 21 57.066 57.066 57.818 -0.752 18484 7728 1 18 . 1 1 21 21 SER CB C 21 62.566 62.566 64.056 -1.490 18484 7729 1 18 . 1 1 21 21 SER H H 21 8.332 8.332 8.340 -0.008 18484 7730 1 18 . 1 1 22 22 LEU N N 22 124.083 124.083 128.399 -4.316 18484 7731 1 18 . 1 1 22 22 LEU HA H 22 4.348 4.348 4.561 -0.213 18484 7732 1 18 . 1 1 22 22 LEU CA C 22 55.471 55.471 55.016 0.455 18484 7733 1 18 . 1 1 22 22 LEU CB C 22 42.322 42.322 41.492 0.830 18484 7734 1 18 . 1 1 22 22 LEU H H 22 8.340 8.340 8.775 -0.435 18484 7735 1 18 . 1 1 23 23 ASP N N 23 120.867 120.867 122.278 -1.411 18484 7736 1 18 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.707 -0.141 18484 7737 1 18 . 1 1 23 23 ASP CA C 23 54.687 54.687 55.180 -0.493 18484 7738 1 18 . 1 1 23 23 ASP CB C 23 41.553 41.553 41.440 0.113 18484 7739 1 18 . 1 1 23 23 ASP H H 23 8.312 8.312 8.434 -0.122 18484 7740 1 18 . 1 1 24 24 GLU N N 24 121.470 121.470 121.150 0.320 18484 7741 1 18 . 1 1 24 24 GLU HA H 24 4.566 4.566 4.520 0.046 18484 7742 1 18 . 1 1 24 24 GLU CA C 24 56.921 56.921 55.963 0.958 18484 7743 1 18 . 1 1 24 24 GLU CB C 24 30.015 30.015 29.478 0.537 18484 7744 1 18 . 1 1 24 24 GLU H H 24 8.411 8.411 8.415 -0.004 18484 7745 1 18 . 1 1 25 25 ASN N N 25 118.582 118.582 117.936 0.646 18484 7746 1 18 . 1 1 25 25 ASN HA H 25 4.707 4.707 4.428 0.279 18484 7747 1 18 . 1 1 25 25 ASN CA C 25 53.593 53.593 54.346 -0.753 18484 7748 1 18 . 1 1 25 25 ASN CB C 25 39.188 39.188 38.743 0.445 18484 7749 1 18 . 1 1 25 25 ASN H H 25 8.436 8.436 8.529 -0.093 18484 7750 1 18 . 1 1 26 26 GLU N N 26 121.262 121.262 119.124 2.138 18484 7751 1 18 . 1 1 26 26 GLU HA H 26 4.247 4.247 4.363 -0.116 18484 7752 1 18 . 1 1 26 26 GLU CA C 26 56.310 56.310 56.233 0.077 18484 7753 1 18 . 1 1 26 26 GLU CB C 26 30.342 30.342 29.666 0.676 18484 7754 1 18 . 1 1 26 26 GLU H H 26 8.196 8.196 8.484 -0.288 18484 7755 1 18 . 1 1 27 27 VAL N N 27 121.381 121.381 120.067 1.314 18484 7756 1 18 . 1 1 27 27 VAL HA H 27 4.036 4.036 4.217 -0.181 18484 7757 1 18 . 1 1 27 27 VAL CA C 27 62.396 62.396 62.441 -0.045 18484 7758 1 18 . 1 1 27 27 VAL CB C 27 32.770 32.770 30.696 2.074 18484 7759 1 18 . 1 1 27 27 VAL H H 27 8.092 8.092 8.156 -0.064 18484 7760 1 18 . 1 1 28 28 ALA N N 28 127.549 127.549 130.424 -2.875 18484 7761 1 18 . 1 1 28 28 ALA HA H 28 4.300 4.300 4.339 -0.039 18484 7762 1 18 . 1 1 28 28 ALA CA C 28 52.388 52.388 52.593 -0.205 18484 7763 1 18 . 1 1 28 28 ALA CB C 28 20.383 20.383 19.730 0.653 18484 7764 1 18 . 1 1 28 28 ALA H H 28 8.280 8.280 8.646 -0.366 18484 7765 1 18 . 1 1 29 29 ALA N N 29 122.963 122.963 121.496 1.467 18484 7766 1 18 . 1 1 29 29 ALA HA H 29 4.257 4.257 4.364 -0.107 18484 7767 1 18 . 1 1 29 29 ALA CA C 29 52.737 52.737 51.712 1.024 18484 7768 1 18 . 1 1 29 29 ALA CB C 29 20.585 20.585 19.929 0.656 18484 7769 1 18 . 1 1 29 29 ALA H H 29 8.182 8.182 7.841 0.341 18484 7770 1 18 . 1 1 30 30 ASN N N 30 117.863 117.863 121.291 -3.428 18484 7771 1 18 . 1 1 30 30 ASN HA H 30 4.697 4.697 4.886 -0.189 18484 7772 1 18 . 1 1 30 30 ASN CA C 30 53.107 53.107 52.334 0.773 18484 7773 1 18 . 1 1 30 30 ASN CB C 30 38.876 38.876 37.407 1.469 18484 7774 1 18 . 1 1 30 30 ASN H H 30 8.323 8.323 8.778 -0.455 18484 7775 1 18 . 1 1 31 31 VAL N N 31 120.074 120.074 117.355 2.719 18484 7776 1 18 . 1 1 31 31 VAL HA H 31 4.131 4.131 3.976 0.155 18484 7777 1 18 . 1 1 31 31 VAL CA C 31 60.983 60.983 62.498 -1.515 18484 7778 1 18 . 1 1 31 31 VAL CB C 31 32.827 32.827 32.704 0.123 18484 7779 1 18 . 1 1 31 31 VAL H H 31 8.041 8.041 7.551 0.490 18484 7780 1 18 . 1 1 32 32 GLU N N 32 124.378 124.378 119.655 4.723 18484 7781 1 18 . 1 1 32 32 GLU HA H 32 4.339 4.339 4.448 -0.109 18484 7782 1 18 . 1 1 32 32 GLU CA C 32 56.728 56.728 55.666 1.062 18484 7783 1 18 . 1 1 32 32 GLU CB C 32 30.439 30.439 30.967 -0.528 18484 7784 1 18 . 1 1 32 32 GLU H H 32 8.487 8.487 8.256 0.231 18484 7785 1 18 . 1 1 33 33 THR N N 33 116.772 116.772 113.151 3.621 18484 7786 1 18 . 1 1 33 33 THR HA H 33 4.312 4.312 4.033 0.279 18484 7787 1 18 . 1 1 33 33 THR CA C 33 60.472 60.472 62.535 -2.063 18484 7788 1 18 . 1 1 33 33 THR CB C 33 68.412 68.412 68.738 -0.326 18484 7789 1 18 . 1 1 33 33 THR H H 33 8.224 8.224 8.287 -0.063 18484 7790 1 18 . 1 1 34 34 ARG N N 34 124.955 124.955 123.086 1.869 18484 7791 1 18 . 1 1 34 34 ARG HA H 34 4.732 4.732 4.439 0.293 18484 7792 1 18 . 1 1 34 34 ARG CA C 34 53.635 53.635 55.470 -1.835 18484 7793 1 18 . 1 1 34 34 ARG CB C 34 30.581 30.581 30.198 0.383 18484 7794 1 18 . 1 1 34 34 ARG H H 34 8.438 8.438 8.425 0.013 18484 7795 1 18 . 1 1 35 35 PRO HA H 35 4.667 4.667 4.408 0.259 18484 7796 1 18 . 1 1 35 35 PRO CA C 35 61.995 61.995 62.675 -0.680 18484 7797 1 18 . 1 1 35 35 PRO CB C 35 32.459 32.459 32.469 -0.010 18484 7798 1 18 . 1 1 36 36 GLU N N 36 121.398 121.398 119.222 2.176 18484 7799 1 18 . 1 1 36 36 GLU HA H 36 4.509 4.509 4.407 0.102 18484 7800 1 18 . 1 1 36 36 GLU CA C 36 55.563 55.563 56.289 -0.726 18484 7801 1 18 . 1 1 36 36 GLU CB C 36 31.628 31.628 29.715 1.913 18484 7802 1 18 . 1 1 36 36 GLU H H 36 8.663 8.663 8.542 0.121 18484 7803 1 18 . 1 1 37 37 LEU N N 37 125.233 125.233 125.801 -0.568 18484 7804 1 18 . 1 1 37 37 LEU HA H 37 5.240 5.240 4.299 0.941 18484 7805 1 18 . 1 1 37 37 LEU CA C 37 54.120 54.120 54.752 -0.632 18484 7806 1 18 . 1 1 37 37 LEU CB C 37 42.407 42.407 41.406 1.001 18484 7807 1 18 . 1 1 37 37 LEU H H 37 8.352 8.352 8.594 -0.242 18484 7808 1 18 . 1 1 38 38 ILE N N 38 121.904 121.904 123.817 -1.913 18484 7809 1 18 . 1 1 38 38 ILE HA H 38 4.775 4.775 4.765 0.010 18484 7810 1 18 . 1 1 38 38 ILE CA C 38 58.065 58.065 59.600 -1.535 18484 7811 1 18 . 1 1 38 38 ILE CB C 38 41.790 41.790 40.394 1.396 18484 7812 1 18 . 1 1 38 38 ILE H H 38 9.224 9.224 8.387 0.837 18484 7813 1 18 . 1 1 39 39 THR N N 39 111.692 111.692 112.127 -0.435 18484 7814 1 18 . 1 1 39 39 THR HA H 39 5.443 5.443 5.254 0.189 18484 7815 1 18 . 1 1 39 39 THR CA C 39 57.825 57.825 61.180 -3.355 18484 7816 1 18 . 1 1 39 39 THR CB C 39 70.337 70.337 71.148 -0.811 18484 7817 1 18 . 1 1 39 39 THR H H 39 8.077 8.077 8.253 -0.176 18484 7818 1 18 . 1 1 40 40 ARG N N 40 121.666 121.666 122.932 -1.266 18484 7819 1 18 . 1 1 40 40 ARG HA H 40 4.707 4.707 4.683 0.024 18484 7820 1 18 . 1 1 40 40 ARG CA C 40 55.674 55.674 55.300 0.374 18484 7821 1 18 . 1 1 40 40 ARG CB C 40 34.932 34.932 33.696 1.236 18484 7822 1 18 . 1 1 40 40 ARG H H 40 8.558 8.558 9.255 -0.697 18484 7823 1 18 . 1 1 41 41 THR N N 41 115.335 115.335 118.783 -3.448 18484 7824 1 18 . 1 1 41 41 THR HA H 41 5.345 5.345 4.783 0.562 18484 7825 1 18 . 1 1 41 41 THR CA C 41 59.028 59.028 61.519 -2.490 18484 7826 1 18 . 1 1 41 41 THR CB C 41 70.332 70.332 70.025 0.307 18484 7827 1 18 . 1 1 41 41 THR H H 41 8.532 8.532 8.665 -0.133 18484 7828 1 18 . 1 1 42 42 GLU N N 42 122.278 122.278 127.862 -5.584 18484 7829 1 18 . 1 1 42 42 GLU HA H 42 4.705 4.705 4.544 0.161 18484 7830 1 18 . 1 1 42 42 GLU CA C 42 54.318 54.318 54.034 0.284 18484 7831 1 18 . 1 1 42 42 GLU CB C 42 33.984 33.984 31.067 2.917 18484 7832 1 18 . 1 1 42 42 GLU H H 42 9.049 9.049 8.642 0.407 18484 7833 1 18 . 1 1 43 43 GLU N N 43 122.782 122.782 121.941 0.841 18484 7834 1 18 . 1 1 43 43 GLU HA H 43 4.659 4.659 4.206 0.453 18484 7835 1 18 . 1 1 43 43 GLU CA C 43 56.074 56.074 56.627 -0.553 18484 7836 1 18 . 1 1 43 43 GLU CB C 43 31.559 31.559 28.349 3.210 18484 7837 1 18 . 1 1 43 43 GLU H H 43 8.722 8.722 8.658 0.064 18484 7838 1 18 . 1 1 44 44 ILE N N 44 123.255 123.255 126.712 -3.457 18484 7839 1 18 . 1 1 44 44 ILE HA H 44 4.557 4.557 4.467 0.090 18484 7840 1 18 . 1 1 44 44 ILE CA C 44 55.622 55.622 58.059 -2.437 18484 7841 1 18 . 1 1 44 44 ILE CB C 44 40.902 40.902 38.409 2.493 18484 7842 1 18 . 1 1 44 44 ILE H H 44 7.740 7.740 7.907 -0.167 18484 7843 1 18 . 1 1 45 45 PRO HA H 45 4.177 4.177 4.620 -0.443 18484 7844 1 18 . 1 1 45 45 PRO CA C 45 61.978 61.978 62.089 -0.111 18484 7845 1 18 . 1 1 45 45 PRO CB C 45 32.314 32.314 32.458 -0.144 18484 7846 1 18 . 1 1 46 46 PHE N N 46 114.670 114.670 119.032 -4.362 18484 7847 1 18 . 1 1 46 46 PHE HA H 46 4.913 4.913 4.772 0.141 18484 7848 1 18 . 1 1 46 46 PHE CA C 46 54.749 54.749 56.147 -1.398 18484 7849 1 18 . 1 1 46 46 PHE CB C 46 42.057 42.057 40.459 1.598 18484 7850 1 18 . 1 1 46 46 PHE H H 46 6.912 6.912 8.241 -1.329 18484 7851 1 18 . 1 1 47 47 GLU N N 47 120.217 120.217 120.237 -0.020 18484 7852 1 18 . 1 1 47 47 GLU HA H 47 4.600 4.600 4.347 0.253 18484 7853 1 18 . 1 1 47 47 GLU CA C 47 54.771 54.771 55.174 -0.403 18484 7854 1 18 . 1 1 47 47 GLU CB C 47 32.338 32.338 32.328 0.010 18484 7855 1 18 . 1 1 47 47 GLU H H 47 8.271 8.271 8.773 -0.502 18484 7856 1 18 . 1 1 48 48 VAL N N 48 121.331 121.331 124.804 -3.473 18484 7857 1 18 . 1 1 48 48 VAL HA H 48 4.734 4.734 4.359 0.376 18484 7858 1 18 . 1 1 48 48 VAL CA C 48 61.472 61.472 62.973 -1.501 18484 7859 1 18 . 1 1 48 48 VAL CB C 48 32.699 32.699 32.604 0.095 18484 7860 1 18 . 1 1 48 48 VAL H H 48 8.625 8.625 8.474 0.151 18484 7861 1 18 . 1 1 49 49 ILE N N 49 132.310 132.310 128.743 3.567 18484 7862 1 18 . 1 1 49 49 ILE HA H 49 4.205 4.205 4.395 -0.190 18484 7863 1 18 . 1 1 49 49 ILE CA C 49 58.886 58.886 60.122 -1.236 18484 7864 1 18 . 1 1 49 49 ILE CB C 49 39.037 39.037 41.638 -2.601 18484 7865 1 18 . 1 1 49 49 ILE H H 49 9.505 9.505 8.121 1.384 18484 7866 1 18 . 1 1 50 50 LYS N N 50 125.764 125.764 123.621 2.143 18484 7867 1 18 . 1 1 50 50 LYS HA H 50 5.284 5.284 4.973 0.311 18484 7868 1 18 . 1 1 50 50 LYS CA C 50 54.802 54.802 54.725 0.077 18484 7869 1 18 . 1 1 50 50 LYS CB C 50 34.186 34.186 32.772 1.414 18484 7870 1 18 . 1 1 50 50 LYS H H 50 8.507 8.507 8.450 0.057 18484 7871 1 18 . 1 1 51 51 LYS N N 51 124.935 124.935 125.163 -0.228 18484 7872 1 18 . 1 1 51 51 LYS HA H 51 4.608 4.608 4.371 0.237 18484 7873 1 18 . 1 1 51 51 LYS CA C 51 54.006 54.006 55.539 -1.533 18484 7874 1 18 . 1 1 51 51 LYS CB C 51 34.756 34.756 34.515 0.241 18484 7875 1 18 . 1 1 51 51 LYS H H 51 9.066 9.066 8.023 1.043 18484 7876 1 18 . 1 1 52 52 GLU N N 52 124.186 124.186 121.319 2.867 18484 7877 1 18 . 1 1 52 52 GLU HA H 52 4.621 4.621 5.052 -0.431 18484 7878 1 18 . 1 1 52 52 GLU CA C 52 55.931 55.931 54.268 1.663 18484 7879 1 18 . 1 1 52 52 GLU CB C 52 31.036 31.036 30.443 0.593 18484 7880 1 18 . 1 1 52 52 GLU H H 52 8.777 8.777 8.541 0.236 18484 7881 1 18 . 1 1 53 53 ASN N N 53 121.687 121.687 124.051 -2.364 18484 7882 1 18 . 1 1 53 53 ASN HA H 53 5.240 5.240 5.092 0.148 18484 7883 1 18 . 1 1 53 53 ASN CA C 53 49.409 49.409 49.877 -0.468 18484 7884 1 18 . 1 1 53 53 ASN CB C 53 40.473 40.473 39.371 1.101 18484 7885 1 18 . 1 1 53 53 ASN H H 53 8.890 8.890 8.061 0.829 18484 7886 1 18 . 1 1 54 54 PRO HA H 54 4.587 4.587 4.406 0.181 18484 7887 1 18 . 1 1 54 54 PRO CA C 54 62.650 62.650 63.943 -1.293 18484 7888 1 18 . 1 1 54 54 PRO CB C 54 32.219 32.219 32.051 0.168 18484 7889 1 18 . 1 1 55 55 ASN N N 55 115.629 115.629 115.675 -0.046 18484 7890 1 18 . 1 1 55 55 ASN HA H 55 4.695 4.695 4.699 -0.004 18484 7891 1 18 . 1 1 55 55 ASN CA C 55 53.685 53.685 52.438 1.247 18484 7892 1 18 . 1 1 55 55 ASN CB C 55 39.137 39.137 38.176 0.961 18484 7893 1 18 . 1 1 55 55 ASN H H 55 8.422 8.422 8.298 0.124 18484 7894 1 18 . 1 1 56 56 LEU N N 56 121.277 121.277 122.162 -0.885 18484 7895 1 18 . 1 1 56 56 LEU HA H 56 4.686 4.686 4.743 -0.057 18484 7896 1 18 . 1 1 56 56 LEU CA C 56 52.145 52.145 51.646 0.499 18484 7897 1 18 . 1 1 56 56 LEU CB C 56 42.456 42.456 43.212 -0.756 18484 7898 1 18 . 1 1 56 56 LEU H H 56 7.278 7.278 7.319 -0.041 18484 7899 1 18 . 1 1 57 57 PRO HA H 57 4.298 4.298 4.479 -0.181 18484 7900 1 18 . 1 1 57 57 PRO CA C 57 61.332 61.332 62.389 -1.056 18484 7901 1 18 . 1 1 57 57 PRO CB C 57 32.232 32.232 31.470 0.762 18484 7902 1 18 . 1 1 58 58 ALA N N 58 123.896 123.896 119.856 4.040 18484 7903 1 18 . 1 1 58 58 ALA HA H 58 3.892 3.892 4.132 -0.240 18484 7904 1 18 . 1 1 58 58 ALA CA C 58 53.559 53.559 52.654 0.905 18484 7905 1 18 . 1 1 58 58 ALA CB C 58 19.480 19.480 18.567 0.913 18484 7906 1 18 . 1 1 58 58 ALA H H 58 8.263 8.263 7.482 0.781 18484 7907 1 18 . 1 1 59 59 GLY N N 59 110.843 110.843 110.712 0.131 18484 7908 1 18 . 1 1 59 59 GLY CA C 59 45.339 45.339 45.567 -0.228 18484 7909 1 18 . 1 1 59 59 GLY H H 59 8.755 8.755 8.701 0.054 18484 7910 1 18 . 1 1 60 60 GLN N N 60 121.444 121.444 119.394 2.050 18484 7911 1 18 . 1 1 60 60 GLN HA H 60 4.251 4.251 4.503 -0.252 18484 7912 1 18 . 1 1 60 60 GLN CA C 60 56.080 56.080 55.161 0.919 18484 7913 1 18 . 1 1 60 60 GLN CB C 60 29.876 29.876 31.200 -1.324 18484 7914 1 18 . 1 1 60 60 GLN H H 60 7.877 7.877 7.867 0.010 18484 7915 1 18 . 1 1 61 61 GLU N N 61 123.364 123.364 125.979 -2.615 18484 7916 1 18 . 1 1 61 61 GLU HA H 61 5.241 5.241 4.772 0.469 18484 7917 1 18 . 1 1 61 61 GLU CA C 61 55.012 55.012 55.659 -0.647 18484 7918 1 18 . 1 1 61 61 GLU CB C 61 32.368 32.368 30.995 1.373 18484 7919 1 18 . 1 1 61 61 GLU H H 61 8.419 8.419 8.715 -0.296 18484 7920 1 18 . 1 1 62 62 ASN N N 62 121.499 121.499 123.121 -1.622 18484 7921 1 18 . 1 1 62 62 ASN HA H 62 5.078 5.078 4.958 0.120 18484 7922 1 18 . 1 1 62 62 ASN CA C 62 51.617 51.617 52.785 -1.168 18484 7923 1 18 . 1 1 62 62 ASN CB C 62 40.999 40.999 40.435 0.564 18484 7924 1 18 . 1 1 62 62 ASN H H 62 9.164 9.164 8.323 0.841 18484 7925 1 18 . 1 1 63 63 ILE N N 63 125.976 125.976 122.970 3.006 18484 7926 1 18 . 1 1 63 63 ILE HA H 63 3.979 3.979 4.488 -0.509 18484 7927 1 18 . 1 1 63 63 ILE CA C 63 61.650 61.650 61.851 -0.201 18484 7928 1 18 . 1 1 63 63 ILE CB C 63 37.404 37.404 38.628 -1.224 18484 7929 1 18 . 1 1 63 63 ILE H H 63 9.032 9.032 8.660 0.372 18484 7930 1 18 . 1 1 64 64 ILE N N 64 130.073 130.073 127.275 2.798 18484 7931 1 18 . 1 1 64 64 ILE HA H 64 4.139 4.139 4.248 -0.109 18484 7932 1 18 . 1 1 64 64 ILE CA C 64 60.699 60.699 62.426 -1.727 18484 7933 1 18 . 1 1 64 64 ILE CB C 64 38.029 38.029 39.196 -1.167 18484 7934 1 18 . 1 1 64 64 ILE H H 64 8.876 8.876 8.970 -0.094 18484 7935 1 18 . 1 1 65 65 THR N N 65 116.771 116.771 116.940 -0.169 18484 7936 1 18 . 1 1 65 65 THR HA H 65 4.349 4.349 4.499 -0.150 18484 7937 1 18 . 1 1 65 65 THR CA C 65 60.066 60.066 61.391 -1.325 18484 7938 1 18 . 1 1 65 65 THR CB C 65 71.059 71.059 70.264 0.795 18484 7939 1 18 . 1 1 65 65 THR H H 65 7.699 7.699 7.506 0.193 18484 7940 1 18 . 1 1 66 66 ALA N N 66 130.117 130.117 129.067 1.050 18484 7941 1 18 . 1 1 66 66 ALA HA H 66 3.928 3.928 4.099 -0.171 18484 7942 1 18 . 1 1 66 66 ALA CA C 66 51.617 51.617 52.631 -1.014 18484 7943 1 18 . 1 1 66 66 ALA CB C 66 19.653 19.653 19.497 0.157 18484 7944 1 18 . 1 1 66 66 ALA H H 66 8.579 8.579 8.352 0.227 18484 7945 1 18 . 1 1 67 67 GLY N N 67 107.619 107.619 106.343 1.276 18484 7946 1 18 . 1 1 67 67 GLY CA C 67 43.606 43.606 43.666 -0.060 18484 7947 1 18 . 1 1 67 67 GLY H H 67 8.387 8.387 7.819 0.568 18484 7948 1 18 . 1 1 68 68 VAL N N 68 123.776 123.776 123.259 0.517 18484 7949 1 18 . 1 1 68 68 VAL HA H 68 4.124 4.124 4.252 -0.128 18484 7950 1 18 . 1 1 68 68 VAL CA C 68 60.443 60.443 59.989 0.454 18484 7951 1 18 . 1 1 68 68 VAL CB C 68 34.972 34.972 36.327 -1.355 18484 7952 1 18 . 1 1 68 68 VAL H H 68 8.966 8.966 8.085 0.881 18484 7953 1 18 . 1 1 69 69 LYS N N 69 125.803 125.803 125.409 0.394 18484 7954 1 18 . 1 1 69 69 LYS HA H 69 4.448 4.448 4.352 0.096 18484 7955 1 18 . 1 1 69 69 LYS CA C 69 57.012 57.012 57.442 -0.430 18484 7956 1 18 . 1 1 69 69 LYS CB C 69 33.410 33.410 31.993 1.417 18484 7957 1 18 . 1 1 69 69 LYS H H 69 8.799 8.799 8.715 0.084 18484 7958 1 18 . 1 1 70 70 GLY N N 70 108.188 108.188 114.344 -6.156 18484 7959 1 18 . 1 1 70 70 GLY CA C 70 43.549 43.549 45.120 -1.571 18484 7960 1 18 . 1 1 70 70 GLY H H 70 8.858 8.858 8.229 0.629 18484 7961 1 18 . 1 1 71 71 GLU N N 71 123.030 123.030 119.228 3.802 18484 7962 1 18 . 1 1 71 71 GLU HA H 71 5.059 5.059 4.648 0.411 18484 7963 1 18 . 1 1 71 71 GLU CA C 71 56.146 56.146 56.615 -0.469 18484 7964 1 18 . 1 1 71 71 GLU CB C 71 36.142 36.142 31.947 4.195 18484 7965 1 18 . 1 1 71 71 GLU H H 71 9.538 9.538 8.273 1.265 18484 7966 1 18 . 1 1 72 72 ARG N N 72 126.426 126.426 126.050 0.376 18484 7967 1 18 . 1 1 72 72 ARG HA H 72 5.059 5.059 4.817 0.242 18484 7968 1 18 . 1 1 72 72 ARG CA C 72 54.001 54.001 54.570 -0.569 18484 7969 1 18 . 1 1 72 72 ARG CB C 72 33.500 33.500 32.401 1.099 18484 7970 1 18 . 1 1 72 72 ARG H H 72 9.191 9.191 8.099 1.092 18484 7971 1 18 . 1 1 73 73 THR N N 73 120.983 120.983 121.987 -1.004 18484 7972 1 18 . 1 1 73 73 THR HA H 73 4.522 4.522 4.522 0.000 18484 7973 1 18 . 1 1 73 73 THR CA C 73 60.953 60.953 64.774 -3.821 18484 7974 1 18 . 1 1 73 73 THR CB C 73 68.412 68.412 69.862 -1.450 18484 7975 1 18 . 1 1 73 73 THR H H 73 9.249 9.249 8.420 0.829 18484 7976 1 18 . 1 1 74 74 HIS N N 74 125.685 125.685 124.788 0.897 18484 7977 1 18 . 1 1 74 74 HIS HA H 74 5.153 5.153 4.520 0.633 18484 7978 1 18 . 1 1 74 74 HIS CA C 74 54.487 54.487 55.389 -0.902 18484 7979 1 18 . 1 1 74 74 HIS CB C 74 32.997 32.997 31.888 1.109 18484 7980 1 18 . 1 1 74 74 HIS H H 74 9.056 9.056 9.072 -0.016 18484 7981 1 18 . 1 1 75 75 TYR N N 75 123.688 123.688 125.122 -1.434 18484 7982 1 18 . 1 1 75 75 TYR HA H 75 4.868 4.868 5.053 -0.185 18484 7983 1 18 . 1 1 75 75 TYR CA C 75 56.499 56.499 54.131 2.368 18484 7984 1 18 . 1 1 75 75 TYR CB C 75 38.425 38.425 36.350 2.075 18484 7985 1 18 . 1 1 75 75 TYR H H 75 8.945 8.945 7.703 1.242 18484 7986 1 18 . 1 1 76 76 ILE N N 76 125.717 125.717 124.383 1.334 18484 7987 1 18 . 1 1 76 76 ILE HA H 76 4.800 4.800 4.252 0.548 18484 7988 1 18 . 1 1 76 76 ILE CA C 76 58.787 58.787 60.911 -2.124 18484 7989 1 18 . 1 1 76 76 ILE CB C 76 42.034 42.034 39.664 2.370 18484 7990 1 18 . 1 1 76 76 ILE H H 76 9.079 9.079 8.004 1.075 18484 7991 1 18 . 1 1 77 77 SER N N 77 120.473 120.473 119.996 0.477 18484 7992 1 18 . 1 1 77 77 SER HA H 77 5.183 5.183 4.811 0.372 18484 7993 1 18 . 1 1 77 77 SER CA C 77 55.930 55.930 57.172 -1.242 18484 7994 1 18 . 1 1 77 77 SER CB C 77 63.118 63.118 63.764 -0.646 18484 7995 1 18 . 1 1 77 77 SER H H 77 9.047 9.047 8.138 0.909 18484 7996 1 18 . 1 1 78 78 VAL N N 78 128.488 128.488 122.562 5.926 18484 7997 1 18 . 1 1 78 78 VAL HA H 78 4.729 4.729 4.284 0.445 18484 7998 1 18 . 1 1 78 78 VAL CA C 78 60.517 60.517 61.541 -1.024 18484 7999 1 18 . 1 1 78 78 VAL CB C 78 33.685 33.685 31.794 1.891 18484 8000 1 18 . 1 1 78 78 VAL H H 78 9.301 9.301 7.967 1.334 18484 8001 1 18 . 1 1 79 79 LEU N N 79 129.698 129.698 130.415 -0.717 18484 8002 1 18 . 1 1 79 79 LEU HA H 79 4.783 4.783 4.828 -0.045 18484 8003 1 18 . 1 1 79 79 LEU CA C 79 53.873 53.873 53.065 0.808 18484 8004 1 18 . 1 1 79 79 LEU CB C 79 45.605 45.605 42.919 2.686 18484 8005 1 18 . 1 1 79 79 LEU H H 79 8.553 8.553 8.125 0.428 18484 8006 1 18 . 1 1 80 80 THR N N 80 123.276 123.276 122.525 0.751 18484 8007 1 18 . 1 1 80 80 THR HA H 80 5.096 5.096 4.210 0.886 18484 8008 1 18 . 1 1 80 80 THR CA C 80 60.231 60.231 62.682 -2.451 18484 8009 1 18 . 1 1 80 80 THR CB C 80 68.171 68.171 68.351 -0.180 18484 8010 1 18 . 1 1 80 80 THR H H 80 8.754 8.754 8.748 0.006 18484 8011 1 18 . 1 1 81 81 GLU N N 81 125.405 125.405 127.241 -1.836 18484 8012 1 18 . 1 1 81 81 GLU HA H 81 4.530 4.530 4.032 0.498 18484 8013 1 18 . 1 1 81 81 GLU CA C 81 55.372 55.372 57.144 -1.772 18484 8014 1 18 . 1 1 81 81 GLU CB C 81 32.374 32.374 29.356 3.018 18484 8015 1 18 . 1 1 81 81 GLU H H 81 8.615 8.615 8.402 0.213 18484 8016 1 18 . 1 1 82 82 ASN N N 82 124.375 124.375 123.887 0.488 18484 8017 1 18 . 1 1 82 82 ASN HA H 82 4.360 4.360 4.405 -0.045 18484 8018 1 18 . 1 1 82 82 ASN CA C 82 54.328 54.328 55.527 -1.199 18484 8019 1 18 . 1 1 82 82 ASN CB C 82 37.432 37.432 37.715 -0.283 18484 8020 1 18 . 1 1 82 82 ASN H H 82 9.559 9.559 8.589 0.970 18484 8021 1 18 . 1 1 83 83 GLY N N 83 103.733 103.733 106.849 -3.116 18484 8022 1 18 . 1 1 83 83 GLY CA C 83 45.359 45.359 45.791 -0.432 18484 8023 1 18 . 1 1 83 83 GLY H H 83 8.626 8.626 8.321 0.305 18484 8024 1 18 . 1 1 84 84 LYS N N 84 121.407 121.407 120.133 1.274 18484 8025 1 18 . 1 1 84 84 LYS HA H 84 4.698 4.698 4.511 0.187 18484 8026 1 18 . 1 1 84 84 LYS CA C 84 55.182 55.182 55.097 0.085 18484 8027 1 18 . 1 1 84 84 LYS CB C 84 34.807 34.807 35.080 -0.273 18484 8028 1 18 . 1 1 84 84 LYS H H 84 7.813 7.813 7.753 0.060 18484 8029 1 18 . 1 1 85 85 THR N N 85 121.799 121.799 121.341 0.458 18484 8030 1 18 . 1 1 85 85 THR HA H 85 5.194 5.194 4.362 0.832 18484 8031 1 18 . 1 1 85 85 THR CA C 85 60.472 60.472 61.916 -1.444 18484 8032 1 18 . 1 1 85 85 THR CB C 85 69.134 69.134 69.285 -0.151 18484 8033 1 18 . 1 1 85 85 THR H H 85 8.796 8.796 8.378 0.418 18484 8034 1 18 . 1 1 86 86 THR N N 86 122.071 122.071 118.735 3.336 18484 8035 1 18 . 1 1 86 86 THR HA H 86 4.535 4.535 4.611 -0.076 18484 8036 1 18 . 1 1 86 86 THR CA C 86 59.990 59.990 60.093 -0.102 18484 8037 1 18 . 1 1 86 86 THR CB C 86 69.856 69.856 70.760 -0.904 18484 8038 1 18 . 1 1 86 86 THR H H 86 9.134 9.134 8.172 0.962 18484 8039 1 18 . 1 1 87 87 GLU N N 87 126.429 126.429 123.743 2.686 18484 8040 1 18 . 1 1 87 87 GLU HA H 87 5.030 5.030 4.440 0.590 18484 8041 1 18 . 1 1 87 87 GLU CA C 87 55.029 55.029 56.069 -1.040 18484 8042 1 18 . 1 1 87 87 GLU CB C 87 31.746 31.746 29.701 2.045 18484 8043 1 18 . 1 1 87 87 GLU H H 87 8.905 8.905 8.709 0.196 18484 8044 1 18 . 1 1 88 88 THR N N 88 120.353 120.353 120.730 -0.377 18484 8045 1 18 . 1 1 88 88 THR HA H 88 4.450 4.450 4.503 -0.053 18484 8046 1 18 . 1 1 88 88 THR CA C 88 60.472 60.472 61.657 -1.185 18484 8047 1 18 . 1 1 88 88 THR CB C 88 70.646 70.646 70.338 0.308 18484 8048 1 18 . 1 1 88 88 THR H H 88 9.016 9.016 8.561 0.455 18484 8049 1 18 . 1 1 89 89 VAL N N 89 128.484 128.484 126.478 2.006 18484 8050 1 18 . 1 1 89 89 VAL HA H 89 3.978 3.978 3.880 0.098 18484 8051 1 18 . 1 1 89 89 VAL CA C 89 62.471 62.471 64.228 -1.757 18484 8052 1 18 . 1 1 89 89 VAL CB C 89 31.216 31.216 31.541 -0.325 18484 8053 1 18 . 1 1 89 89 VAL H H 89 9.054 9.054 8.746 0.308 18484 8054 1 18 . 1 1 90 90 LEU N N 90 130.587 130.587 128.660 1.927 18484 8055 1 18 . 1 1 90 90 LEU HA H 90 4.325 4.325 4.620 -0.295 18484 8056 1 18 . 1 1 90 90 LEU CA C 90 56.129 56.129 55.540 0.589 18484 8057 1 18 . 1 1 90 90 LEU CB C 90 42.958 42.958 43.858 -0.900 18484 8058 1 18 . 1 1 90 90 LEU H H 90 9.426 9.426 8.495 0.931 18484 8059 1 18 . 1 1 91 91 ASP N N 91 114.928 114.928 118.198 -3.270 18484 8060 1 18 . 1 1 91 91 ASP HA H 91 4.846 4.846 4.778 0.068 18484 8061 1 18 . 1 1 91 91 ASP CA C 91 53.688 53.688 53.615 0.073 18484 8062 1 18 . 1 1 91 91 ASP CB C 91 43.521 43.521 43.884 -0.363 18484 8063 1 18 . 1 1 91 91 ASP H H 91 7.924 7.924 8.097 -0.173 18484 8064 1 18 . 1 1 92 92 SER N N 92 117.203 117.203 114.891 2.312 18484 8065 1 18 . 1 1 92 92 SER HA H 92 5.519 5.519 2.565 2.954 18484 8066 1 18 . 1 1 92 92 SER CA C 92 56.622 56.622 55.957 0.665 18484 8067 1 18 . 1 1 92 92 SER CB C 92 63.359 63.359 65.158 -1.799 18484 8068 1 18 . 1 1 92 92 SER H H 92 8.376 8.376 8.068 0.308 18484 8069 1 18 . 1 1 93 93 GLN N N 93 122.058 122.058 118.484 3.574 18484 8070 1 18 . 1 1 93 93 GLN HA H 93 4.731 4.731 4.446 0.285 18484 8071 1 18 . 1 1 93 93 GLN CA C 93 54.781 54.781 54.499 0.282 18484 8072 1 18 . 1 1 93 93 GLN CB C 93 33.312 33.312 32.128 1.184 18484 8073 1 18 . 1 1 93 93 GLN H H 93 9.005 9.005 7.801 1.204 18484 8074 1 18 . 1 1 94 94 VAL N N 94 125.231 125.231 121.046 4.185 18484 8075 1 18 . 1 1 94 94 VAL HA H 94 4.233 4.233 4.184 0.049 18484 8076 1 18 . 1 1 94 94 VAL CA C 94 63.282 63.282 61.999 1.283 18484 8077 1 18 . 1 1 94 94 VAL CB C 94 30.906 30.906 31.888 -0.982 18484 8078 1 18 . 1 1 94 94 VAL H H 94 9.085 9.085 8.522 0.563 18484 8079 1 18 . 1 1 95 95 THR N N 95 121.170 121.170 122.129 -0.959 18484 8080 1 18 . 1 1 95 95 THR HA H 95 4.384 4.384 4.604 -0.220 18484 8081 1 18 . 1 1 95 95 THR CA C 95 60.953 60.953 61.104 -0.151 18484 8082 1 18 . 1 1 95 95 THR CB C 95 68.653 68.653 68.271 0.382 18484 8083 1 18 . 1 1 95 95 THR H H 95 8.521 8.521 8.270 0.251 18484 8084 1 18 . 1 1 96 96 LYS N N 96 123.236 123.236 122.583 0.653 18484 8085 1 18 . 1 1 96 96 LYS HA H 96 4.418 4.418 4.199 0.219 18484 8086 1 18 . 1 1 96 96 LYS CA C 96 56.418 56.418 57.151 -0.733 18484 8087 1 18 . 1 1 96 96 LYS CB C 96 35.690 35.690 33.450 2.240 18484 8088 1 18 . 1 1 96 96 LYS H H 96 7.912 7.912 8.182 -0.270 18484 8089 1 18 . 1 1 97 97 GLU N N 97 125.835 125.835 119.854 5.981 18484 8090 1 18 . 1 1 97 97 GLU HA H 97 4.151 4.151 4.141 0.010 18484 8091 1 18 . 1 1 97 97 GLU CA C 97 56.412 56.412 56.554 -0.142 18484 8092 1 18 . 1 1 97 97 GLU CB C 97 29.948 29.948 29.555 0.393 18484 8093 1 18 . 1 1 97 97 GLU H H 97 8.665 8.665 8.074 0.591 18484 8094 1 18 . 1 1 98 98 VAL N N 98 122.204 122.204 123.771 -1.567 18484 8095 1 18 . 1 1 98 98 VAL HA H 98 3.915 3.915 4.154 -0.239 18484 8096 1 18 . 1 1 98 98 VAL CA C 98 60.208 60.208 62.682 -2.474 18484 8097 1 18 . 1 1 98 98 VAL CB C 98 33.692 33.692 32.267 1.425 18484 8098 1 18 . 1 1 98 98 VAL H H 98 8.339 8.339 8.362 -0.023 18484 8099 1 18 . 1 1 99 99 ILE N N 99 127.874 127.874 129.322 -1.448 18484 8100 1 18 . 1 1 99 99 ILE HA H 99 4.197 4.197 3.946 0.251 18484 8101 1 18 . 1 1 99 99 ILE CA C 99 60.606 60.606 62.276 -1.670 18484 8102 1 18 . 1 1 99 99 ILE CB C 99 39.186 39.186 38.477 0.709 18484 8103 1 18 . 1 1 99 99 ILE H H 99 8.608 8.608 7.805 0.803 18484 8104 1 18 . 1 1 100 100 ASN N N 100 123.343 123.343 124.607 -1.264 18484 8105 1 18 . 1 1 100 100 ASN HA H 100 4.914 4.914 4.749 0.165 18484 8106 1 18 . 1 1 100 100 ASN CA C 100 53.704 53.704 51.750 1.954 18484 8107 1 18 . 1 1 100 100 ASN CB C 100 37.731 37.731 40.209 -2.478 18484 8108 1 18 . 1 1 100 100 ASN H H 100 8.446 8.446 8.317 0.129 18484 8109 1 18 . 1 1 101 101 GLN N N 101 120.980 120.980 122.316 -1.336 18484 8110 1 18 . 1 1 101 101 GLN HA H 101 4.325 4.325 4.383 -0.058 18484 8111 1 18 . 1 1 101 101 GLN CA C 101 54.659 54.659 56.135 -1.476 18484 8112 1 18 . 1 1 101 101 GLN CB C 101 31.616 31.616 28.834 2.782 18484 8113 1 18 . 1 1 101 101 GLN H H 101 8.254 8.254 8.611 -0.357 18484 8114 1 18 . 1 1 102 102 VAL N N 102 127.057 127.057 127.424 -0.367 18484 8115 1 18 . 1 1 102 102 VAL HA H 102 4.965 4.965 4.088 0.877 18484 8116 1 18 . 1 1 102 102 VAL CA C 102 60.264 60.264 62.785 -2.521 18484 8117 1 18 . 1 1 102 102 VAL CB C 102 33.626 33.626 32.092 1.534 18484 8118 1 18 . 1 1 102 102 VAL H H 102 8.742 8.742 9.099 -0.357 18484 8119 1 18 . 1 1 103 103 VAL N N 103 127.794 127.794 127.852 -0.058 18484 8120 1 18 . 1 1 103 103 VAL HA H 103 4.812 4.812 4.675 0.137 18484 8121 1 18 . 1 1 103 103 VAL CA C 103 58.547 58.547 60.803 -2.256 18484 8122 1 18 . 1 1 103 103 VAL CB C 103 35.718 35.718 33.320 2.398 18484 8123 1 18 . 1 1 103 103 VAL H H 103 9.160 9.160 7.964 1.196 18484 8124 1 18 . 1 1 104 104 GLU N N 104 125.160 125.160 128.145 -2.985 18484 8125 1 18 . 1 1 104 104 GLU HA H 104 5.513 5.513 4.727 0.786 18484 8126 1 18 . 1 1 104 104 GLU CA C 104 53.721 53.721 55.474 -1.754 18484 8127 1 18 . 1 1 104 104 GLU CB C 104 32.383 32.383 31.380 1.003 18484 8128 1 18 . 1 1 104 104 GLU H H 104 9.085 9.085 8.108 0.977 18484 8129 1 18 . 1 1 105 105 VAL N N 105 117.602 117.602 123.045 -5.443 18484 8130 1 18 . 1 1 105 105 VAL HA H 105 5.241 5.241 4.879 0.362 18484 8131 1 18 . 1 1 105 105 VAL CA C 105 57.055 57.055 60.829 -3.774 18484 8132 1 18 . 1 1 105 105 VAL CB C 105 35.204 35.204 33.694 1.510 18484 8133 1 18 . 1 1 105 105 VAL H H 105 8.536 8.536 8.500 0.036 18484 8134 1 18 . 1 1 106 106 GLY N N 106 111.023 111.023 115.206 -4.183 18484 8135 1 18 . 1 1 106 106 GLY CA C 106 46.117 46.117 45.089 1.028 18484 8136 1 18 . 1 1 106 106 GLY H H 106 8.635 8.635 8.103 0.532 18484 8137 1 18 . 1 1 107 107 ALA N N 107 127.369 127.369 127.786 -0.417 18484 8138 1 18 . 1 1 107 107 ALA HA H 107 4.515 4.515 4.702 -0.187 18484 8139 1 18 . 1 1 107 107 ALA CA C 107 50.477 50.477 49.224 1.254 18484 8140 1 18 . 1 1 107 107 ALA CB C 107 19.924 19.924 19.111 0.813 18484 8141 1 18 . 1 1 107 107 ALA H H 107 7.929 7.929 8.235 -0.306 18484 8142 1 18 . 1 1 108 108 PRO HA H 108 4.494 4.494 4.323 0.171 18484 8143 1 18 . 1 1 108 108 PRO CA C 108 61.698 61.698 64.236 -2.538 18484 8144 1 18 . 1 1 108 108 PRO CB C 108 31.900 31.900 32.004 -0.104 18484 8145 1 18 . 1 1 109 109 VAL N N 109 119.821 119.821 120.950 -1.129 18484 8146 1 18 . 1 1 109 109 VAL HA H 109 4.092 4.092 3.912 0.180 18484 8147 1 18 . 1 1 109 109 VAL CA C 109 60.949 60.949 63.307 -2.358 18484 8148 1 18 . 1 1 109 109 VAL CB C 109 32.389 32.389 30.140 2.249 18484 8149 1 18 . 1 1 109 109 VAL H H 109 8.303 8.303 7.783 0.520 18484 8150 1 18 . 1 1 110 110 THR N N 110 118.171 118.171 120.258 -2.087 18484 8151 1 18 . 1 1 110 110 THR HA H 110 4.338 4.338 4.484 -0.146 18484 8152 1 18 . 1 1 110 110 THR CA C 110 59.028 59.028 61.491 -2.463 18484 8153 1 18 . 1 1 110 110 THR CB C 110 67.676 67.676 69.922 -2.246 18484 8154 1 18 . 1 1 110 110 THR H H 110 8.209 8.209 8.274 -0.065 18484 8155 1 19 . 1 1 2 2 GLY N N 2 110.403 110.403 111.219 -0.816 18484 8156 1 19 . 1 1 2 2 GLY H H 2 8.459 8.459 8.608 -0.149 18484 8157 1 19 . 1 1 10 10 SER HA H 10 4.435 4.435 4.413 0.022 18484 8158 1 19 . 1 1 11 11 SER CA C 11 57.649 57.649 57.620 0.029 18484 8159 1 19 . 1 1 11 11 SER CB C 11 62.672 62.672 64.014 -1.343 18484 8160 1 19 . 1 1 12 12 GLY N N 12 110.471 110.471 108.581 1.890 18484 8161 1 19 . 1 1 12 12 GLY CA C 12 45.312 45.312 45.011 0.301 18484 8162 1 19 . 1 1 12 12 GLY H H 12 8.365 8.365 8.237 0.128 18484 8163 1 19 . 1 1 13 13 LEU N N 13 121.432 121.432 119.619 1.813 18484 8164 1 19 . 1 1 13 13 LEU HA H 13 4.327 4.327 4.900 -0.573 18484 8165 1 19 . 1 1 13 13 LEU CA C 13 55.573 55.573 54.977 0.596 18484 8166 1 19 . 1 1 13 13 LEU CB C 13 42.428 42.428 42.946 -0.518 18484 8167 1 19 . 1 1 13 13 LEU H H 13 8.024 8.024 8.107 -0.083 18484 8168 1 19 . 1 1 14 14 VAL N N 14 122.309 122.309 120.446 1.863 18484 8169 1 19 . 1 1 14 14 VAL H H 14 8.062 8.062 8.242 -0.180 18484 8170 1 19 . 1 1 16 16 ARG N N 16 121.951 121.951 119.944 2.007 18484 8171 1 19 . 1 1 16 16 ARG HA H 16 4.312 4.312 4.132 0.180 18484 8172 1 19 . 1 1 16 16 ARG CA C 16 56.102 56.102 57.534 -1.432 18484 8173 1 19 . 1 1 16 16 ARG CB C 16 30.891 30.891 30.060 0.831 18484 8174 1 19 . 1 1 16 16 ARG H H 16 8.465 8.465 8.485 -0.020 18484 8175 1 19 . 1 1 20 20 MET HA H 20 4.435 4.435 4.274 0.161 18484 8176 1 19 . 1 1 20 20 MET CA C 20 55.500 55.500 55.803 -0.303 18484 8177 1 19 . 1 1 20 20 MET CB C 20 32.070 32.070 33.014 -0.944 18484 8178 1 19 . 1 1 21 21 SER N N 21 117.005 117.005 115.037 1.968 18484 8179 1 19 . 1 1 21 21 SER HA H 21 4.435 4.435 4.519 -0.084 18484 8180 1 19 . 1 1 21 21 SER CA C 21 57.066 57.066 57.251 -0.184 18484 8181 1 19 . 1 1 21 21 SER CB C 21 62.566 62.566 64.838 -2.272 18484 8182 1 19 . 1 1 21 21 SER H H 21 8.332 8.332 8.262 0.070 18484 8183 1 19 . 1 1 22 22 LEU N N 22 124.083 124.083 124.040 0.043 18484 8184 1 19 . 1 1 22 22 LEU HA H 22 4.348 4.348 4.334 0.014 18484 8185 1 19 . 1 1 22 22 LEU CA C 22 55.471 55.471 55.633 -0.162 18484 8186 1 19 . 1 1 22 22 LEU CB C 22 42.322 42.322 39.920 2.402 18484 8187 1 19 . 1 1 22 22 LEU H H 22 8.340 8.340 8.647 -0.307 18484 8188 1 19 . 1 1 23 23 ASP N N 23 120.867 120.867 122.625 -1.758 18484 8189 1 19 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.671 -0.105 18484 8190 1 19 . 1 1 23 23 ASP CA C 23 54.687 54.687 53.687 1.000 18484 8191 1 19 . 1 1 23 23 ASP CB C 23 41.553 41.553 42.750 -1.197 18484 8192 1 19 . 1 1 23 23 ASP H H 23 8.312 8.312 8.093 0.219 18484 8193 1 19 . 1 1 24 24 GLU N N 24 121.470 121.470 119.986 1.484 18484 8194 1 19 . 1 1 24 24 GLU HA H 24 4.566 4.566 4.257 0.309 18484 8195 1 19 . 1 1 24 24 GLU CA C 24 56.921 56.921 57.127 -0.206 18484 8196 1 19 . 1 1 24 24 GLU CB C 24 30.015 30.015 29.861 0.153 18484 8197 1 19 . 1 1 24 24 GLU H H 24 8.411 8.411 8.659 -0.248 18484 8198 1 19 . 1 1 25 25 ASN N N 25 118.582 118.582 116.226 2.356 18484 8199 1 19 . 1 1 25 25 ASN HA H 25 4.707 4.707 4.422 0.285 18484 8200 1 19 . 1 1 25 25 ASN CA C 25 53.593 53.593 53.781 -0.188 18484 8201 1 19 . 1 1 25 25 ASN CB C 25 39.188 39.188 37.889 1.299 18484 8202 1 19 . 1 1 25 25 ASN H H 25 8.436 8.436 8.627 -0.191 18484 8203 1 19 . 1 1 26 26 GLU N N 26 121.262 121.262 116.989 4.273 18484 8204 1 19 . 1 1 26 26 GLU HA H 26 4.247 4.247 4.381 -0.134 18484 8205 1 19 . 1 1 26 26 GLU CA C 26 56.310 56.310 55.721 0.589 18484 8206 1 19 . 1 1 26 26 GLU CB C 26 30.342 30.342 32.968 -2.626 18484 8207 1 19 . 1 1 26 26 GLU H H 26 8.196 8.196 7.865 0.331 18484 8208 1 19 . 1 1 27 27 VAL N N 27 121.381 121.381 121.015 0.366 18484 8209 1 19 . 1 1 27 27 VAL HA H 27 4.036 4.036 4.221 -0.185 18484 8210 1 19 . 1 1 27 27 VAL CA C 27 62.396 62.396 62.078 0.318 18484 8211 1 19 . 1 1 27 27 VAL CB C 27 32.770 32.770 32.622 0.148 18484 8212 1 19 . 1 1 27 27 VAL H H 27 8.092 8.092 8.470 -0.378 18484 8213 1 19 . 1 1 28 28 ALA N N 28 127.549 127.549 128.681 -1.132 18484 8214 1 19 . 1 1 28 28 ALA HA H 28 4.300 4.300 4.413 -0.113 18484 8215 1 19 . 1 1 28 28 ALA CA C 28 52.388 52.388 52.112 0.276 18484 8216 1 19 . 1 1 28 28 ALA CB C 28 20.383 20.383 18.628 1.756 18484 8217 1 19 . 1 1 28 28 ALA H H 28 8.280 8.280 8.382 -0.102 18484 8218 1 19 . 1 1 29 29 ALA N N 29 122.963 122.963 121.234 1.729 18484 8219 1 19 . 1 1 29 29 ALA HA H 29 4.257 4.257 4.405 -0.148 18484 8220 1 19 . 1 1 29 29 ALA CA C 29 52.737 52.737 52.338 0.399 18484 8221 1 19 . 1 1 29 29 ALA CB C 29 20.585 20.585 19.460 1.125 18484 8222 1 19 . 1 1 29 29 ALA H H 29 8.182 8.182 7.597 0.585 18484 8223 1 19 . 1 1 30 30 ASN N N 30 117.863 117.863 120.457 -2.594 18484 8224 1 19 . 1 1 30 30 ASN HA H 30 4.697 4.697 4.606 0.091 18484 8225 1 19 . 1 1 30 30 ASN CA C 30 53.107 53.107 53.159 -0.052 18484 8226 1 19 . 1 1 30 30 ASN CB C 30 38.876 38.876 39.087 -0.211 18484 8227 1 19 . 1 1 30 30 ASN H H 30 8.323 8.323 8.143 0.180 18484 8228 1 19 . 1 1 31 31 VAL N N 31 120.074 120.074 123.559 -3.485 18484 8229 1 19 . 1 1 31 31 VAL HA H 31 4.131 4.131 4.029 0.102 18484 8230 1 19 . 1 1 31 31 VAL CA C 31 60.983 60.983 62.970 -1.987 18484 8231 1 19 . 1 1 31 31 VAL CB C 31 32.827 32.827 32.392 0.435 18484 8232 1 19 . 1 1 31 31 VAL H H 31 8.041 8.041 8.298 -0.257 18484 8233 1 19 . 1 1 32 32 GLU N N 32 124.378 124.378 118.226 6.152 18484 8234 1 19 . 1 1 32 32 GLU HA H 32 4.339 4.339 3.958 0.381 18484 8235 1 19 . 1 1 32 32 GLU CA C 32 56.728 56.728 58.254 -1.526 18484 8236 1 19 . 1 1 32 32 GLU CB C 32 30.439 30.439 28.488 1.951 18484 8237 1 19 . 1 1 32 32 GLU H H 32 8.487 8.487 8.376 0.111 18484 8238 1 19 . 1 1 33 33 THR N N 33 116.772 116.772 109.797 6.975 18484 8239 1 19 . 1 1 33 33 THR HA H 33 4.312 4.312 3.839 0.473 18484 8240 1 19 . 1 1 33 33 THR CA C 33 60.472 60.472 62.995 -2.523 18484 8241 1 19 . 1 1 33 33 THR CB C 33 68.412 68.412 68.449 -0.037 18484 8242 1 19 . 1 1 33 33 THR H H 33 8.224 8.224 8.446 -0.222 18484 8243 1 19 . 1 1 34 34 ARG N N 34 124.955 124.955 119.873 5.082 18484 8244 1 19 . 1 1 34 34 ARG HA H 34 4.732 4.732 4.626 0.106 18484 8245 1 19 . 1 1 34 34 ARG CA C 34 53.635 53.635 55.210 -1.575 18484 8246 1 19 . 1 1 34 34 ARG CB C 34 30.581 30.581 30.871 -0.290 18484 8247 1 19 . 1 1 34 34 ARG H H 34 8.438 8.438 8.213 0.225 18484 8248 1 19 . 1 1 35 35 PRO HA H 35 4.667 4.667 4.491 0.176 18484 8249 1 19 . 1 1 35 35 PRO CA C 35 61.995 61.995 64.112 -2.118 18484 8250 1 19 . 1 1 35 35 PRO CB C 35 32.459 32.459 32.462 -0.002 18484 8251 1 19 . 1 1 36 36 GLU N N 36 121.398 121.398 119.091 2.307 18484 8252 1 19 . 1 1 36 36 GLU HA H 36 4.509 4.509 4.618 -0.109 18484 8253 1 19 . 1 1 36 36 GLU CA C 36 55.563 55.563 55.822 -0.259 18484 8254 1 19 . 1 1 36 36 GLU CB C 36 31.628 31.628 31.771 -0.143 18484 8255 1 19 . 1 1 36 36 GLU H H 36 8.663 8.663 8.564 0.099 18484 8256 1 19 . 1 1 37 37 LEU N N 37 125.233 125.233 122.993 2.240 18484 8257 1 19 . 1 1 37 37 LEU HA H 37 5.240 5.240 5.269 -0.029 18484 8258 1 19 . 1 1 37 37 LEU CA C 37 54.120 54.120 54.164 -0.045 18484 8259 1 19 . 1 1 37 37 LEU CB C 37 42.407 42.407 42.648 -0.241 18484 8260 1 19 . 1 1 37 37 LEU H H 37 8.352 8.352 8.550 -0.198 18484 8261 1 19 . 1 1 38 38 ILE N N 38 121.904 121.904 122.030 -0.126 18484 8262 1 19 . 1 1 38 38 ILE HA H 38 4.775 4.775 4.486 0.289 18484 8263 1 19 . 1 1 38 38 ILE CA C 38 58.065 58.065 59.885 -1.820 18484 8264 1 19 . 1 1 38 38 ILE CB C 38 41.790 41.790 39.939 1.851 18484 8265 1 19 . 1 1 38 38 ILE H H 38 9.224 9.224 8.961 0.263 18484 8266 1 19 . 1 1 39 39 THR N N 39 111.692 111.692 111.843 -0.151 18484 8267 1 19 . 1 1 39 39 THR HA H 39 5.443 5.443 4.927 0.516 18484 8268 1 19 . 1 1 39 39 THR CA C 39 57.825 57.825 61.288 -3.463 18484 8269 1 19 . 1 1 39 39 THR CB C 39 70.337 70.337 70.505 -0.168 18484 8270 1 19 . 1 1 39 39 THR H H 39 8.077 8.077 8.282 -0.205 18484 8271 1 19 . 1 1 40 40 ARG N N 40 121.666 121.666 125.768 -4.102 18484 8272 1 19 . 1 1 40 40 ARG HA H 40 4.707 4.707 4.752 -0.045 18484 8273 1 19 . 1 1 40 40 ARG CA C 40 55.674 55.674 54.844 0.830 18484 8274 1 19 . 1 1 40 40 ARG CB C 40 34.932 34.932 33.877 1.056 18484 8275 1 19 . 1 1 40 40 ARG H H 40 8.558 8.558 9.182 -0.624 18484 8276 1 19 . 1 1 41 41 THR N N 41 115.335 115.335 118.200 -2.865 18484 8277 1 19 . 1 1 41 41 THR HA H 41 5.345 5.345 5.083 0.262 18484 8278 1 19 . 1 1 41 41 THR CA C 41 59.028 59.028 61.339 -2.311 18484 8279 1 19 . 1 1 41 41 THR CB C 41 70.332 70.332 69.494 0.838 18484 8280 1 19 . 1 1 41 41 THR H H 41 8.532 8.532 8.442 0.090 18484 8281 1 19 . 1 1 42 42 GLU N N 42 122.278 122.278 127.336 -5.058 18484 8282 1 19 . 1 1 42 42 GLU HA H 42 4.705 4.705 4.534 0.171 18484 8283 1 19 . 1 1 42 42 GLU CA C 42 54.318 54.318 54.915 -0.597 18484 8284 1 19 . 1 1 42 42 GLU CB C 42 33.984 33.984 32.770 1.214 18484 8285 1 19 . 1 1 42 42 GLU H H 42 9.049 9.049 9.096 -0.047 18484 8286 1 19 . 1 1 43 43 GLU N N 43 122.782 122.782 123.612 -0.830 18484 8287 1 19 . 1 1 43 43 GLU HA H 43 4.659 4.659 4.258 0.401 18484 8288 1 19 . 1 1 43 43 GLU CA C 43 56.074 56.074 57.014 -0.940 18484 8289 1 19 . 1 1 43 43 GLU CB C 43 31.559 31.559 28.512 3.047 18484 8290 1 19 . 1 1 43 43 GLU H H 43 8.722 8.722 8.684 0.038 18484 8291 1 19 . 1 1 44 44 ILE N N 44 123.255 123.255 125.500 -2.245 18484 8292 1 19 . 1 1 44 44 ILE HA H 44 4.557 4.557 4.541 0.016 18484 8293 1 19 . 1 1 44 44 ILE CA C 44 55.622 55.622 58.295 -2.674 18484 8294 1 19 . 1 1 44 44 ILE CB C 44 40.902 40.902 38.476 2.426 18484 8295 1 19 . 1 1 44 44 ILE H H 44 7.740 7.740 7.853 -0.113 18484 8296 1 19 . 1 1 45 45 PRO HA H 45 4.177 4.177 4.504 -0.327 18484 8297 1 19 . 1 1 45 45 PRO CA C 45 61.978 61.978 62.432 -0.454 18484 8298 1 19 . 1 1 45 45 PRO CB C 45 32.314 32.314 32.217 0.097 18484 8299 1 19 . 1 1 46 46 PHE N N 46 114.670 114.670 118.068 -3.398 18484 8300 1 19 . 1 1 46 46 PHE HA H 46 4.913 4.913 4.694 0.219 18484 8301 1 19 . 1 1 46 46 PHE CA C 46 54.749 54.749 56.510 -1.761 18484 8302 1 19 . 1 1 46 46 PHE CB C 46 42.057 42.057 40.471 1.586 18484 8303 1 19 . 1 1 46 46 PHE H H 46 6.912 6.912 7.972 -1.060 18484 8304 1 19 . 1 1 47 47 GLU N N 47 120.217 120.217 120.513 -0.296 18484 8305 1 19 . 1 1 47 47 GLU HA H 47 4.600 4.600 4.473 0.127 18484 8306 1 19 . 1 1 47 47 GLU CA C 47 54.771 54.771 55.662 -0.891 18484 8307 1 19 . 1 1 47 47 GLU CB C 47 32.338 32.338 32.265 0.073 18484 8308 1 19 . 1 1 47 47 GLU H H 47 8.271 8.271 8.519 -0.248 18484 8309 1 19 . 1 1 48 48 VAL N N 48 121.331 121.331 123.123 -1.792 18484 8310 1 19 . 1 1 48 48 VAL HA H 48 4.734 4.734 4.255 0.479 18484 8311 1 19 . 1 1 48 48 VAL CA C 48 61.472 61.472 63.084 -1.612 18484 8312 1 19 . 1 1 48 48 VAL CB C 48 32.699 32.699 32.267 0.432 18484 8313 1 19 . 1 1 48 48 VAL H H 48 8.625 8.625 8.512 0.113 18484 8314 1 19 . 1 1 49 49 ILE N N 49 132.310 132.310 127.008 5.302 18484 8315 1 19 . 1 1 49 49 ILE HA H 49 4.205 4.205 4.368 -0.163 18484 8316 1 19 . 1 1 49 49 ILE CA C 49 58.886 58.886 60.012 -1.126 18484 8317 1 19 . 1 1 49 49 ILE CB C 49 39.037 39.037 41.432 -2.395 18484 8318 1 19 . 1 1 49 49 ILE H H 49 9.505 9.505 8.129 1.376 18484 8319 1 19 . 1 1 50 50 LYS N N 50 125.764 125.764 123.831 1.933 18484 8320 1 19 . 1 1 50 50 LYS HA H 50 5.284 5.284 4.638 0.646 18484 8321 1 19 . 1 1 50 50 LYS CA C 50 54.802 54.802 54.844 -0.042 18484 8322 1 19 . 1 1 50 50 LYS CB C 50 34.186 34.186 32.000 2.186 18484 8323 1 19 . 1 1 50 50 LYS H H 50 8.507 8.507 8.304 0.203 18484 8324 1 19 . 1 1 51 51 LYS N N 51 124.935 124.935 125.036 -0.101 18484 8325 1 19 . 1 1 51 51 LYS HA H 51 4.608 4.608 4.637 -0.029 18484 8326 1 19 . 1 1 51 51 LYS CA C 51 54.006 54.006 54.648 -0.642 18484 8327 1 19 . 1 1 51 51 LYS CB C 51 34.756 34.756 34.080 0.676 18484 8328 1 19 . 1 1 51 51 LYS H H 51 9.066 9.066 8.132 0.934 18484 8329 1 19 . 1 1 52 52 GLU N N 52 124.186 124.186 121.514 2.672 18484 8330 1 19 . 1 1 52 52 GLU HA H 52 4.621 4.621 4.306 0.315 18484 8331 1 19 . 1 1 52 52 GLU CA C 52 55.931 55.931 56.349 -0.418 18484 8332 1 19 . 1 1 52 52 GLU CB C 52 31.036 31.036 30.463 0.573 18484 8333 1 19 . 1 1 52 52 GLU H H 52 8.777 8.777 8.566 0.211 18484 8334 1 19 . 1 1 53 53 ASN N N 53 121.687 121.687 125.601 -3.914 18484 8335 1 19 . 1 1 53 53 ASN HA H 53 5.240 5.240 5.101 0.139 18484 8336 1 19 . 1 1 53 53 ASN CA C 53 49.409 49.409 49.763 -0.354 18484 8337 1 19 . 1 1 53 53 ASN CB C 53 40.473 40.473 39.364 1.109 18484 8338 1 19 . 1 1 53 53 ASN H H 53 8.890 8.890 8.652 0.238 18484 8339 1 19 . 1 1 54 54 PRO HA H 54 4.587 4.587 4.789 -0.202 18484 8340 1 19 . 1 1 54 54 PRO CA C 54 62.650 62.650 63.372 -0.722 18484 8341 1 19 . 1 1 54 54 PRO CB C 54 32.219 32.219 29.898 2.321 18484 8342 1 19 . 1 1 55 55 ASN N N 55 115.629 115.629 118.269 -2.640 18484 8343 1 19 . 1 1 55 55 ASN HA H 55 4.695 4.695 4.713 -0.018 18484 8344 1 19 . 1 1 55 55 ASN CA C 55 53.685 53.685 53.514 0.172 18484 8345 1 19 . 1 1 55 55 ASN CB C 55 39.137 39.137 40.186 -1.049 18484 8346 1 19 . 1 1 55 55 ASN H H 55 8.422 8.422 8.473 -0.051 18484 8347 1 19 . 1 1 56 56 LEU N N 56 121.277 121.277 123.225 -1.948 18484 8348 1 19 . 1 1 56 56 LEU HA H 56 4.686 4.686 4.347 0.339 18484 8349 1 19 . 1 1 56 56 LEU CA C 56 52.145 52.145 54.920 -2.775 18484 8350 1 19 . 1 1 56 56 LEU CB C 56 42.456 42.456 41.383 1.073 18484 8351 1 19 . 1 1 56 56 LEU H H 56 7.278 7.278 7.583 -0.305 18484 8352 1 19 . 1 1 57 57 PRO HA H 57 4.298 4.298 4.448 -0.150 18484 8353 1 19 . 1 1 57 57 PRO CA C 57 61.332 61.332 62.511 -1.179 18484 8354 1 19 . 1 1 57 57 PRO CB C 57 32.232 32.232 30.957 1.275 18484 8355 1 19 . 1 1 58 58 ALA N N 58 123.896 123.896 119.314 4.582 18484 8356 1 19 . 1 1 58 58 ALA HA H 58 3.892 3.892 3.960 -0.068 18484 8357 1 19 . 1 1 58 58 ALA CA C 58 53.559 53.559 52.459 1.100 18484 8358 1 19 . 1 1 58 58 ALA CB C 58 19.480 19.480 18.684 0.795 18484 8359 1 19 . 1 1 58 58 ALA H H 58 8.263 8.263 7.070 1.193 18484 8360 1 19 . 1 1 59 59 GLY N N 59 110.843 110.843 110.178 0.665 18484 8361 1 19 . 1 1 59 59 GLY CA C 59 45.339 45.339 45.146 0.193 18484 8362 1 19 . 1 1 59 59 GLY H H 59 8.755 8.755 8.690 0.065 18484 8363 1 19 . 1 1 60 60 GLN N N 60 121.444 121.444 118.639 2.805 18484 8364 1 19 . 1 1 60 60 GLN HA H 60 4.251 4.251 4.523 -0.272 18484 8365 1 19 . 1 1 60 60 GLN CA C 60 56.080 56.080 54.010 2.070 18484 8366 1 19 . 1 1 60 60 GLN CB C 60 29.876 29.876 31.246 -1.370 18484 8367 1 19 . 1 1 60 60 GLN H H 60 7.877 7.877 7.862 0.015 18484 8368 1 19 . 1 1 61 61 GLU N N 61 123.364 123.364 122.457 0.907 18484 8369 1 19 . 1 1 61 61 GLU HA H 61 5.241 5.241 4.781 0.460 18484 8370 1 19 . 1 1 61 61 GLU CA C 61 55.012 55.012 55.272 -0.259 18484 8371 1 19 . 1 1 61 61 GLU CB C 61 32.368 32.368 31.622 0.746 18484 8372 1 19 . 1 1 61 61 GLU H H 61 8.419 8.419 8.590 -0.171 18484 8373 1 19 . 1 1 62 62 ASN N N 62 121.499 121.499 122.780 -1.281 18484 8374 1 19 . 1 1 62 62 ASN HA H 62 5.078 5.078 5.052 0.026 18484 8375 1 19 . 1 1 62 62 ASN CA C 62 51.617 51.617 52.344 -0.727 18484 8376 1 19 . 1 1 62 62 ASN CB C 62 40.999 40.999 40.020 0.979 18484 8377 1 19 . 1 1 62 62 ASN H H 62 9.164 9.164 8.342 0.822 18484 8378 1 19 . 1 1 63 63 ILE N N 63 125.976 125.976 124.285 1.691 18484 8379 1 19 . 1 1 63 63 ILE HA H 63 3.979 3.979 4.294 -0.315 18484 8380 1 19 . 1 1 63 63 ILE CA C 63 61.650 61.650 61.995 -0.345 18484 8381 1 19 . 1 1 63 63 ILE CB C 63 37.404 37.404 38.490 -1.086 18484 8382 1 19 . 1 1 63 63 ILE H H 63 9.032 9.032 8.825 0.207 18484 8383 1 19 . 1 1 64 64 ILE N N 64 130.073 130.073 127.186 2.887 18484 8384 1 19 . 1 1 64 64 ILE HA H 64 4.139 4.139 4.257 -0.118 18484 8385 1 19 . 1 1 64 64 ILE CA C 64 60.699 60.699 62.319 -1.620 18484 8386 1 19 . 1 1 64 64 ILE CB C 64 38.029 38.029 39.175 -1.146 18484 8387 1 19 . 1 1 64 64 ILE H H 64 8.876 8.876 9.197 -0.321 18484 8388 1 19 . 1 1 65 65 THR N N 65 116.771 116.771 116.140 0.631 18484 8389 1 19 . 1 1 65 65 THR HA H 65 4.349 4.349 4.503 -0.154 18484 8390 1 19 . 1 1 65 65 THR CA C 65 60.066 60.066 61.112 -1.046 18484 8391 1 19 . 1 1 65 65 THR CB C 65 71.059 71.059 69.818 1.241 18484 8392 1 19 . 1 1 65 65 THR H H 65 7.699 7.699 7.580 0.119 18484 8393 1 19 . 1 1 66 66 ALA N N 66 130.117 130.117 128.252 1.865 18484 8394 1 19 . 1 1 66 66 ALA HA H 66 3.928 3.928 4.055 -0.127 18484 8395 1 19 . 1 1 66 66 ALA CA C 66 51.617 51.617 52.634 -1.017 18484 8396 1 19 . 1 1 66 66 ALA CB C 66 19.653 19.653 19.457 0.196 18484 8397 1 19 . 1 1 66 66 ALA H H 66 8.579 8.579 8.260 0.319 18484 8398 1 19 . 1 1 67 67 GLY N N 67 107.619 107.619 107.755 -0.136 18484 8399 1 19 . 1 1 67 67 GLY CA C 67 43.606 43.606 43.755 -0.149 18484 8400 1 19 . 1 1 67 67 GLY H H 67 8.387 8.387 7.811 0.576 18484 8401 1 19 . 1 1 68 68 VAL N N 68 123.776 123.776 124.070 -0.294 18484 8402 1 19 . 1 1 68 68 VAL HA H 68 4.124 4.124 4.148 -0.024 18484 8403 1 19 . 1 1 68 68 VAL CA C 68 60.443 60.443 60.903 -0.460 18484 8404 1 19 . 1 1 68 68 VAL CB C 68 34.972 34.972 35.903 -0.931 18484 8405 1 19 . 1 1 68 68 VAL H H 68 8.966 8.966 8.184 0.782 18484 8406 1 19 . 1 1 69 69 LYS N N 69 125.803 125.803 127.841 -2.038 18484 8407 1 19 . 1 1 69 69 LYS HA H 69 4.448 4.448 4.398 0.050 18484 8408 1 19 . 1 1 69 69 LYS CA C 69 57.012 57.012 57.314 -0.302 18484 8409 1 19 . 1 1 69 69 LYS CB C 69 33.410 33.410 31.378 2.032 18484 8410 1 19 . 1 1 69 69 LYS H H 69 8.799 8.799 8.957 -0.158 18484 8411 1 19 . 1 1 70 70 GLY N N 70 108.188 108.188 112.899 -4.711 18484 8412 1 19 . 1 1 70 70 GLY CA C 70 43.549 43.549 44.799 -1.250 18484 8413 1 19 . 1 1 70 70 GLY H H 70 8.858 8.858 7.973 0.885 18484 8414 1 19 . 1 1 71 71 GLU N N 71 123.030 123.030 119.663 3.367 18484 8415 1 19 . 1 1 71 71 GLU HA H 71 5.059 5.059 4.700 0.359 18484 8416 1 19 . 1 1 71 71 GLU CA C 71 56.146 56.146 56.448 -0.302 18484 8417 1 19 . 1 1 71 71 GLU CB C 71 36.142 36.142 31.898 4.244 18484 8418 1 19 . 1 1 71 71 GLU H H 71 9.538 9.538 8.314 1.224 18484 8419 1 19 . 1 1 72 72 ARG N N 72 126.426 126.426 126.215 0.211 18484 8420 1 19 . 1 1 72 72 ARG HA H 72 5.059 5.059 4.995 0.064 18484 8421 1 19 . 1 1 72 72 ARG CA C 72 54.001 54.001 54.578 -0.577 18484 8422 1 19 . 1 1 72 72 ARG CB C 72 33.500 33.500 32.223 1.277 18484 8423 1 19 . 1 1 72 72 ARG H H 72 9.191 9.191 8.095 1.096 18484 8424 1 19 . 1 1 73 73 THR N N 73 120.983 120.983 122.428 -1.445 18484 8425 1 19 . 1 1 73 73 THR HA H 73 4.522 4.522 4.543 -0.021 18484 8426 1 19 . 1 1 73 73 THR CA C 73 60.953 60.953 64.296 -3.344 18484 8427 1 19 . 1 1 73 73 THR CB C 73 68.412 68.412 69.478 -1.067 18484 8428 1 19 . 1 1 73 73 THR H H 73 9.249 9.249 8.758 0.491 18484 8429 1 19 . 1 1 74 74 HIS N N 74 125.685 125.685 124.538 1.147 18484 8430 1 19 . 1 1 74 74 HIS HA H 74 5.153 5.153 4.842 0.311 18484 8431 1 19 . 1 1 74 74 HIS CA C 74 54.487 54.487 55.377 -0.890 18484 8432 1 19 . 1 1 74 74 HIS CB C 74 32.997 32.997 32.525 0.472 18484 8433 1 19 . 1 1 74 74 HIS H H 74 9.056 9.056 9.441 -0.385 18484 8434 1 19 . 1 1 75 75 TYR N N 75 123.688 123.688 124.836 -1.148 18484 8435 1 19 . 1 1 75 75 TYR HA H 75 4.868 4.868 4.940 -0.072 18484 8436 1 19 . 1 1 75 75 TYR CA C 75 56.499 56.499 54.459 2.040 18484 8437 1 19 . 1 1 75 75 TYR CB C 75 38.425 38.425 36.444 1.981 18484 8438 1 19 . 1 1 75 75 TYR H H 75 8.945 8.945 8.596 0.349 18484 8439 1 19 . 1 1 76 76 ILE N N 76 125.717 125.717 124.544 1.173 18484 8440 1 19 . 1 1 76 76 ILE HA H 76 4.800 4.800 4.440 0.360 18484 8441 1 19 . 1 1 76 76 ILE CA C 76 58.787 58.787 60.558 -1.771 18484 8442 1 19 . 1 1 76 76 ILE CB C 76 42.034 42.034 40.024 2.010 18484 8443 1 19 . 1 1 76 76 ILE H H 76 9.079 9.079 8.422 0.657 18484 8444 1 19 . 1 1 77 77 SER N N 77 120.473 120.473 117.514 2.959 18484 8445 1 19 . 1 1 77 77 SER HA H 77 5.183 5.183 4.884 0.299 18484 8446 1 19 . 1 1 77 77 SER CA C 77 55.930 55.930 56.776 -0.846 18484 8447 1 19 . 1 1 77 77 SER CB C 77 63.118 63.118 65.163 -2.045 18484 8448 1 19 . 1 1 77 77 SER H H 77 9.047 9.047 8.403 0.644 18484 8449 1 19 . 1 1 78 78 VAL N N 78 128.488 128.488 127.600 0.888 18484 8450 1 19 . 1 1 78 78 VAL HA H 78 4.729 4.729 4.155 0.574 18484 8451 1 19 . 1 1 78 78 VAL CA C 78 60.517 60.517 61.436 -0.919 18484 8452 1 19 . 1 1 78 78 VAL CB C 78 33.685 33.685 32.346 1.339 18484 8453 1 19 . 1 1 78 78 VAL H H 78 9.301 9.301 7.966 1.335 18484 8454 1 19 . 1 1 79 79 LEU N N 79 129.698 129.698 129.771 -0.073 18484 8455 1 19 . 1 1 79 79 LEU HA H 79 4.783 4.783 4.721 0.062 18484 8456 1 19 . 1 1 79 79 LEU CA C 79 53.873 53.873 53.851 0.022 18484 8457 1 19 . 1 1 79 79 LEU CB C 79 45.605 45.605 45.302 0.303 18484 8458 1 19 . 1 1 79 79 LEU H H 79 8.553 8.553 8.321 0.232 18484 8459 1 19 . 1 1 80 80 THR N N 80 123.276 123.276 118.495 4.781 18484 8460 1 19 . 1 1 80 80 THR HA H 80 5.096 5.096 4.446 0.650 18484 8461 1 19 . 1 1 80 80 THR CA C 80 60.231 60.231 62.153 -1.922 18484 8462 1 19 . 1 1 80 80 THR CB C 80 68.171 68.171 68.598 -0.427 18484 8463 1 19 . 1 1 80 80 THR H H 80 8.754 8.754 8.565 0.189 18484 8464 1 19 . 1 1 81 81 GLU N N 81 125.405 125.405 127.568 -2.163 18484 8465 1 19 . 1 1 81 81 GLU HA H 81 4.530 4.530 4.287 0.243 18484 8466 1 19 . 1 1 81 81 GLU CA C 81 55.372 55.372 55.430 -0.058 18484 8467 1 19 . 1 1 81 81 GLU CB C 81 32.374 32.374 29.670 2.704 18484 8468 1 19 . 1 1 81 81 GLU H H 81 8.615 8.615 8.445 0.170 18484 8469 1 19 . 1 1 82 82 ASN N N 82 124.375 124.375 122.332 2.043 18484 8470 1 19 . 1 1 82 82 ASN HA H 82 4.360 4.360 4.461 -0.101 18484 8471 1 19 . 1 1 82 82 ASN CA C 82 54.328 54.328 53.584 0.744 18484 8472 1 19 . 1 1 82 82 ASN CB C 82 37.432 37.432 38.005 -0.573 18484 8473 1 19 . 1 1 82 82 ASN H H 82 9.559 9.559 8.859 0.700 18484 8474 1 19 . 1 1 83 83 GLY N N 83 103.733 103.733 104.866 -1.133 18484 8475 1 19 . 1 1 83 83 GLY CA C 83 45.359 45.359 45.639 -0.280 18484 8476 1 19 . 1 1 83 83 GLY H H 83 8.626 8.626 8.286 0.340 18484 8477 1 19 . 1 1 84 84 LYS N N 84 121.407 121.407 118.686 2.721 18484 8478 1 19 . 1 1 84 84 LYS HA H 84 4.698 4.698 4.582 0.116 18484 8479 1 19 . 1 1 84 84 LYS CA C 84 55.182 55.182 55.109 0.073 18484 8480 1 19 . 1 1 84 84 LYS CB C 84 34.807 34.807 35.018 -0.211 18484 8481 1 19 . 1 1 84 84 LYS H H 84 7.813 7.813 7.965 -0.152 18484 8482 1 19 . 1 1 85 85 THR N N 85 121.799 121.799 118.166 3.633 18484 8483 1 19 . 1 1 85 85 THR HA H 85 5.194 5.194 4.617 0.577 18484 8484 1 19 . 1 1 85 85 THR CA C 85 60.472 60.472 61.788 -1.315 18484 8485 1 19 . 1 1 85 85 THR CB C 85 69.134 69.134 69.631 -0.497 18484 8486 1 19 . 1 1 85 85 THR H H 85 8.796 8.796 8.459 0.337 18484 8487 1 19 . 1 1 86 86 THR N N 86 122.071 122.071 122.305 -0.234 18484 8488 1 19 . 1 1 86 86 THR HA H 86 4.535 4.535 4.529 0.006 18484 8489 1 19 . 1 1 86 86 THR CA C 86 59.990 59.990 61.496 -1.506 18484 8490 1 19 . 1 1 86 86 THR CB C 86 69.856 69.856 69.927 -0.071 18484 8491 1 19 . 1 1 86 86 THR H H 86 9.134 9.134 8.443 0.691 18484 8492 1 19 . 1 1 87 87 GLU N N 87 126.429 126.429 126.596 -0.167 18484 8493 1 19 . 1 1 87 87 GLU HA H 87 5.030 5.030 4.163 0.867 18484 8494 1 19 . 1 1 87 87 GLU CA C 87 55.029 55.029 56.390 -1.361 18484 8495 1 19 . 1 1 87 87 GLU CB C 87 31.746 31.746 29.389 2.357 18484 8496 1 19 . 1 1 87 87 GLU H H 87 8.905 8.905 8.581 0.324 18484 8497 1 19 . 1 1 88 88 THR N N 88 120.353 120.353 118.430 1.923 18484 8498 1 19 . 1 1 88 88 THR HA H 88 4.450 4.450 4.592 -0.142 18484 8499 1 19 . 1 1 88 88 THR CA C 88 60.472 60.472 60.648 -0.175 18484 8500 1 19 . 1 1 88 88 THR CB C 88 70.646 70.646 70.303 0.343 18484 8501 1 19 . 1 1 88 88 THR H H 88 9.016 9.016 7.896 1.119 18484 8502 1 19 . 1 1 89 89 VAL N N 89 128.484 128.484 124.604 3.880 18484 8503 1 19 . 1 1 89 89 VAL HA H 89 3.978 3.978 3.934 0.044 18484 8504 1 19 . 1 1 89 89 VAL CA C 89 62.471 62.471 63.891 -1.420 18484 8505 1 19 . 1 1 89 89 VAL CB C 89 31.216 31.216 31.460 -0.244 18484 8506 1 19 . 1 1 89 89 VAL H H 89 9.054 9.054 8.931 0.123 18484 8507 1 19 . 1 1 90 90 LEU N N 90 130.587 130.587 127.593 2.994 18484 8508 1 19 . 1 1 90 90 LEU HA H 90 4.325 4.325 4.597 -0.272 18484 8509 1 19 . 1 1 90 90 LEU CA C 90 56.129 56.129 54.919 1.210 18484 8510 1 19 . 1 1 90 90 LEU CB C 90 42.958 42.958 43.255 -0.297 18484 8511 1 19 . 1 1 90 90 LEU H H 90 9.426 9.426 8.378 1.048 18484 8512 1 19 . 1 1 91 91 ASP N N 91 114.928 114.928 116.720 -1.792 18484 8513 1 19 . 1 1 91 91 ASP HA H 91 4.846 4.846 4.692 0.154 18484 8514 1 19 . 1 1 91 91 ASP CA C 91 53.688 53.688 54.259 -0.571 18484 8515 1 19 . 1 1 91 91 ASP CB C 91 43.521 43.521 43.333 0.188 18484 8516 1 19 . 1 1 91 91 ASP H H 91 7.924 7.924 7.931 -0.008 18484 8517 1 19 . 1 1 92 92 SER N N 92 117.203 117.203 116.006 1.197 18484 8518 1 19 . 1 1 92 92 SER HA H 92 5.519 5.519 3.164 2.355 18484 8519 1 19 . 1 1 92 92 SER CA C 92 56.622 56.622 56.723 -0.101 18484 8520 1 19 . 1 1 92 92 SER CB C 92 63.359 63.359 65.555 -2.196 18484 8521 1 19 . 1 1 92 92 SER H H 92 8.376 8.376 7.962 0.414 18484 8522 1 19 . 1 1 93 93 GLN N N 93 122.058 122.058 118.312 3.746 18484 8523 1 19 . 1 1 93 93 GLN HA H 93 4.731 4.731 4.610 0.121 18484 8524 1 19 . 1 1 93 93 GLN CA C 93 54.781 54.781 54.065 0.716 18484 8525 1 19 . 1 1 93 93 GLN CB C 93 33.312 33.312 33.416 -0.104 18484 8526 1 19 . 1 1 93 93 GLN H H 93 9.005 9.005 7.924 1.081 18484 8527 1 19 . 1 1 94 94 VAL N N 94 125.231 125.231 117.181 8.050 18484 8528 1 19 . 1 1 94 94 VAL HA H 94 4.233 4.233 4.250 -0.017 18484 8529 1 19 . 1 1 94 94 VAL CA C 94 63.282 63.282 62.088 1.194 18484 8530 1 19 . 1 1 94 94 VAL CB C 94 30.906 30.906 31.387 -0.482 18484 8531 1 19 . 1 1 94 94 VAL H H 94 9.085 9.085 8.489 0.596 18484 8532 1 19 . 1 1 95 95 THR N N 95 121.170 121.170 119.862 1.308 18484 8533 1 19 . 1 1 95 95 THR HA H 95 4.384 4.384 4.589 -0.205 18484 8534 1 19 . 1 1 95 95 THR CA C 95 60.953 60.953 60.908 0.045 18484 8535 1 19 . 1 1 95 95 THR CB C 95 68.653 68.653 68.621 0.032 18484 8536 1 19 . 1 1 95 95 THR H H 95 8.521 8.521 8.254 0.267 18484 8537 1 19 . 1 1 96 96 LYS N N 96 123.236 123.236 122.414 0.822 18484 8538 1 19 . 1 1 96 96 LYS HA H 96 4.418 4.418 4.193 0.225 18484 8539 1 19 . 1 1 96 96 LYS CA C 96 56.418 56.418 57.202 -0.784 18484 8540 1 19 . 1 1 96 96 LYS CB C 96 35.690 35.690 33.340 2.350 18484 8541 1 19 . 1 1 96 96 LYS H H 96 7.912 7.912 8.262 -0.350 18484 8542 1 19 . 1 1 97 97 GLU N N 97 125.835 125.835 119.948 5.887 18484 8543 1 19 . 1 1 97 97 GLU HA H 97 4.151 4.151 4.086 0.065 18484 8544 1 19 . 1 1 97 97 GLU CA C 97 56.412 56.412 56.576 -0.164 18484 8545 1 19 . 1 1 97 97 GLU CB C 97 29.948 29.948 29.628 0.320 18484 8546 1 19 . 1 1 97 97 GLU H H 97 8.665 8.665 8.143 0.522 18484 8547 1 19 . 1 1 98 98 VAL N N 98 122.204 122.204 123.287 -1.083 18484 8548 1 19 . 1 1 98 98 VAL HA H 98 3.915 3.915 4.187 -0.272 18484 8549 1 19 . 1 1 98 98 VAL CA C 98 60.208 60.208 62.770 -2.562 18484 8550 1 19 . 1 1 98 98 VAL CB C 98 33.692 33.692 32.480 1.212 18484 8551 1 19 . 1 1 98 98 VAL H H 98 8.339 8.339 8.239 0.100 18484 8552 1 19 . 1 1 99 99 ILE N N 99 127.874 127.874 129.753 -1.879 18484 8553 1 19 . 1 1 99 99 ILE HA H 99 4.197 4.197 4.005 0.192 18484 8554 1 19 . 1 1 99 99 ILE CA C 99 60.606 60.606 61.115 -0.509 18484 8555 1 19 . 1 1 99 99 ILE CB C 99 39.186 39.186 37.246 1.940 18484 8556 1 19 . 1 1 99 99 ILE H H 99 8.608 8.608 8.043 0.565 18484 8557 1 19 . 1 1 100 100 ASN N N 100 123.343 123.343 126.259 -2.916 18484 8558 1 19 . 1 1 100 100 ASN HA H 100 4.914 4.914 4.821 0.093 18484 8559 1 19 . 1 1 100 100 ASN CA C 100 53.704 53.704 51.575 2.129 18484 8560 1 19 . 1 1 100 100 ASN CB C 100 37.731 37.731 39.632 -1.901 18484 8561 1 19 . 1 1 100 100 ASN H H 100 8.446 8.446 8.429 0.017 18484 8562 1 19 . 1 1 101 101 GLN N N 101 120.980 120.980 123.471 -2.491 18484 8563 1 19 . 1 1 101 101 GLN HA H 101 4.325 4.325 4.168 0.157 18484 8564 1 19 . 1 1 101 101 GLN CA C 101 54.659 54.659 56.300 -1.641 18484 8565 1 19 . 1 1 101 101 GLN CB C 101 31.616 31.616 28.172 3.444 18484 8566 1 19 . 1 1 101 101 GLN H H 101 8.254 8.254 8.676 -0.422 18484 8567 1 19 . 1 1 102 102 VAL N N 102 127.057 127.057 127.770 -0.713 18484 8568 1 19 . 1 1 102 102 VAL HA H 102 4.965 4.965 4.059 0.906 18484 8569 1 19 . 1 1 102 102 VAL CA C 102 60.264 60.264 62.399 -2.135 18484 8570 1 19 . 1 1 102 102 VAL CB C 102 33.626 33.626 31.433 2.193 18484 8571 1 19 . 1 1 102 102 VAL H H 102 8.742 8.742 8.987 -0.245 18484 8572 1 19 . 1 1 103 103 VAL N N 103 127.794 127.794 127.778 0.016 18484 8573 1 19 . 1 1 103 103 VAL HA H 103 4.812 4.812 4.887 -0.075 18484 8574 1 19 . 1 1 103 103 VAL CA C 103 58.547 58.547 59.296 -0.749 18484 8575 1 19 . 1 1 103 103 VAL CB C 103 35.718 35.718 35.439 0.279 18484 8576 1 19 . 1 1 103 103 VAL H H 103 9.160 9.160 8.033 1.127 18484 8577 1 19 . 1 1 104 104 GLU N N 104 125.160 125.160 126.978 -1.818 18484 8578 1 19 . 1 1 104 104 GLU HA H 104 5.513 5.513 4.728 0.785 18484 8579 1 19 . 1 1 104 104 GLU CA C 104 53.721 53.721 54.599 -0.878 18484 8580 1 19 . 1 1 104 104 GLU CB C 104 32.383 32.383 31.997 0.386 18484 8581 1 19 . 1 1 104 104 GLU H H 104 9.085 9.085 8.253 0.832 18484 8582 1 19 . 1 1 105 105 VAL N N 105 117.602 117.602 120.756 -3.154 18484 8583 1 19 . 1 1 105 105 VAL HA H 105 5.241 5.241 5.146 0.095 18484 8584 1 19 . 1 1 105 105 VAL CA C 105 57.055 57.055 59.648 -2.593 18484 8585 1 19 . 1 1 105 105 VAL CB C 105 35.204 35.204 32.921 2.283 18484 8586 1 19 . 1 1 105 105 VAL H H 105 8.536 8.536 8.393 0.143 18484 8587 1 19 . 1 1 106 106 GLY N N 106 111.023 111.023 108.664 2.359 18484 8588 1 19 . 1 1 106 106 GLY CA C 106 46.117 46.117 43.718 2.398 18484 8589 1 19 . 1 1 106 106 GLY H H 106 8.635 8.635 8.097 0.538 18484 8590 1 19 . 1 1 107 107 ALA N N 107 127.369 127.369 126.273 1.096 18484 8591 1 19 . 1 1 107 107 ALA HA H 107 4.515 4.515 4.672 -0.157 18484 8592 1 19 . 1 1 107 107 ALA CA C 107 50.477 50.477 51.091 -0.614 18484 8593 1 19 . 1 1 107 107 ALA CB C 107 19.924 19.924 20.618 -0.694 18484 8594 1 19 . 1 1 107 107 ALA H H 107 7.929 7.929 7.753 0.176 18484 8595 1 19 . 1 1 108 108 PRO HA H 108 4.494 4.494 4.625 -0.131 18484 8596 1 19 . 1 1 108 108 PRO CA C 108 61.698 61.698 62.704 -1.006 18484 8597 1 19 . 1 1 108 108 PRO CB C 108 31.900 31.900 32.418 -0.518 18484 8598 1 19 . 1 1 109 109 VAL N N 109 119.821 119.821 122.501 -2.680 18484 8599 1 19 . 1 1 109 109 VAL HA H 109 4.092 4.092 3.804 0.288 18484 8600 1 19 . 1 1 109 109 VAL CA C 109 60.949 60.949 64.502 -3.553 18484 8601 1 19 . 1 1 109 109 VAL CB C 109 32.389 32.389 32.195 0.194 18484 8602 1 19 . 1 1 109 109 VAL H H 109 8.303 8.303 8.474 -0.171 18484 8603 1 19 . 1 1 110 110 THR N N 110 118.171 118.171 109.908 8.263 18484 8604 1 19 . 1 1 110 110 THR HA H 110 4.338 4.338 4.192 0.146 18484 8605 1 19 . 1 1 110 110 THR CA C 110 59.028 59.028 62.085 -3.057 18484 8606 1 19 . 1 1 110 110 THR CB C 110 67.676 67.676 68.769 -1.093 18484 8607 1 19 . 1 1 110 110 THR H H 110 8.209 8.209 7.751 0.458 18484 8608 1 20 . 1 1 2 2 GLY N N 2 110.403 110.403 109.693 0.710 18484 8609 1 20 . 1 1 2 2 GLY H H 2 8.459 8.459 8.421 0.038 18484 8610 1 20 . 1 1 10 10 SER HA H 10 4.435 4.435 4.540 -0.105 18484 8611 1 20 . 1 1 11 11 SER CA C 11 57.649 57.649 58.196 -0.547 18484 8612 1 20 . 1 1 11 11 SER CB C 11 62.672 62.672 63.752 -1.080 18484 8613 1 20 . 1 1 12 12 GLY N N 12 110.471 110.471 111.314 -0.843 18484 8614 1 20 . 1 1 12 12 GLY CA C 12 45.312 45.312 45.537 -0.225 18484 8615 1 20 . 1 1 12 12 GLY H H 12 8.365 8.365 8.599 -0.234 18484 8616 1 20 . 1 1 13 13 LEU N N 13 121.432 121.432 117.714 3.718 18484 8617 1 20 . 1 1 13 13 LEU HA H 13 4.327 4.327 4.067 0.260 18484 8618 1 20 . 1 1 13 13 LEU CA C 13 55.573 55.573 55.829 -0.256 18484 8619 1 20 . 1 1 13 13 LEU CB C 13 42.428 42.428 41.763 0.665 18484 8620 1 20 . 1 1 13 13 LEU H H 13 8.024 8.024 7.865 0.159 18484 8621 1 20 . 1 1 14 14 VAL N N 14 122.309 122.309 115.216 7.093 18484 8622 1 20 . 1 1 14 14 VAL H H 14 8.062 8.062 7.509 0.553 18484 8623 1 20 . 1 1 16 16 ARG N N 16 121.951 121.951 118.428 3.523 18484 8624 1 20 . 1 1 16 16 ARG HA H 16 4.312 4.312 4.400 -0.088 18484 8625 1 20 . 1 1 16 16 ARG CA C 16 56.102 56.102 56.317 -0.215 18484 8626 1 20 . 1 1 16 16 ARG CB C 16 30.891 30.891 30.835 0.056 18484 8627 1 20 . 1 1 16 16 ARG H H 16 8.465 8.465 8.174 0.291 18484 8628 1 20 . 1 1 20 20 MET HA H 20 4.435 4.435 4.233 0.202 18484 8629 1 20 . 1 1 20 20 MET CA C 20 55.500 55.500 57.316 -1.816 18484 8630 1 20 . 1 1 20 20 MET CB C 20 32.070 32.070 32.963 -0.893 18484 8631 1 20 . 1 1 21 21 SER N N 21 117.005 117.005 112.309 4.696 18484 8632 1 20 . 1 1 21 21 SER HA H 21 4.435 4.435 4.571 -0.136 18484 8633 1 20 . 1 1 21 21 SER CA C 21 57.066 57.066 57.340 -0.273 18484 8634 1 20 . 1 1 21 21 SER CB C 21 62.566 62.566 65.731 -3.165 18484 8635 1 20 . 1 1 21 21 SER H H 21 8.332 8.332 7.418 0.914 18484 8636 1 20 . 1 1 22 22 LEU N N 22 124.083 124.083 120.763 3.320 18484 8637 1 20 . 1 1 22 22 LEU HA H 22 4.348 4.348 4.115 0.233 18484 8638 1 20 . 1 1 22 22 LEU CA C 22 55.471 55.471 56.135 -0.664 18484 8639 1 20 . 1 1 22 22 LEU CB C 22 42.322 42.322 42.271 0.051 18484 8640 1 20 . 1 1 22 22 LEU H H 22 8.340 8.340 8.330 0.010 18484 8641 1 20 . 1 1 23 23 ASP N N 23 120.867 120.867 112.244 8.623 18484 8642 1 20 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.602 -0.036 18484 8643 1 20 . 1 1 23 23 ASP CA C 23 54.687 54.687 54.424 0.263 18484 8644 1 20 . 1 1 23 23 ASP CB C 23 41.553 41.553 40.447 1.107 18484 8645 1 20 . 1 1 23 23 ASP H H 23 8.312 8.312 7.769 0.543 18484 8646 1 20 . 1 1 24 24 GLU N N 24 121.470 121.470 119.532 1.938 18484 8647 1 20 . 1 1 24 24 GLU HA H 24 4.566 4.566 3.871 0.695 18484 8648 1 20 . 1 1 24 24 GLU CA C 24 56.921 56.921 58.597 -1.676 18484 8649 1 20 . 1 1 24 24 GLU CB C 24 30.015 30.015 28.851 1.164 18484 8650 1 20 . 1 1 24 24 GLU H H 24 8.411 8.411 8.472 -0.061 18484 8651 1 20 . 1 1 25 25 ASN N N 25 118.582 118.582 119.454 -0.872 18484 8652 1 20 . 1 1 25 25 ASN HA H 25 4.707 4.707 4.492 0.215 18484 8653 1 20 . 1 1 25 25 ASN CA C 25 53.593 53.593 54.163 -0.570 18484 8654 1 20 . 1 1 25 25 ASN CB C 25 39.188 39.188 37.578 1.610 18484 8655 1 20 . 1 1 25 25 ASN H H 25 8.436 8.436 8.484 -0.048 18484 8656 1 20 . 1 1 26 26 GLU N N 26 121.262 121.262 114.593 6.669 18484 8657 1 20 . 1 1 26 26 GLU HA H 26 4.247 4.247 4.111 0.136 18484 8658 1 20 . 1 1 26 26 GLU CA C 26 56.310 56.310 57.159 -0.849 18484 8659 1 20 . 1 1 26 26 GLU CB C 26 30.342 30.342 29.108 1.234 18484 8660 1 20 . 1 1 26 26 GLU H H 26 8.196 8.196 8.414 -0.218 18484 8661 1 20 . 1 1 27 27 VAL N N 27 121.381 121.381 117.392 3.989 18484 8662 1 20 . 1 1 27 27 VAL HA H 27 4.036 4.036 4.447 -0.411 18484 8663 1 20 . 1 1 27 27 VAL CA C 27 62.396 62.396 61.258 1.138 18484 8664 1 20 . 1 1 27 27 VAL CB C 27 32.770 32.770 34.020 -1.250 18484 8665 1 20 . 1 1 27 27 VAL H H 27 8.092 8.092 7.924 0.168 18484 8666 1 20 . 1 1 28 28 ALA N N 28 127.549 127.549 124.217 3.332 18484 8667 1 20 . 1 1 28 28 ALA HA H 28 4.300 4.300 4.385 -0.085 18484 8668 1 20 . 1 1 28 28 ALA CA C 28 52.388 52.388 52.040 0.348 18484 8669 1 20 . 1 1 28 28 ALA CB C 28 20.383 20.383 18.855 1.528 18484 8670 1 20 . 1 1 28 28 ALA H H 28 8.280 8.280 8.496 -0.216 18484 8671 1 20 . 1 1 29 29 ALA N N 29 122.963 122.963 123.451 -0.488 18484 8672 1 20 . 1 1 29 29 ALA HA H 29 4.257 4.257 4.243 0.014 18484 8673 1 20 . 1 1 29 29 ALA CA C 29 52.737 52.737 53.116 -0.379 18484 8674 1 20 . 1 1 29 29 ALA CB C 29 20.585 20.585 19.074 1.511 18484 8675 1 20 . 1 1 29 29 ALA H H 29 8.182 8.182 8.408 -0.226 18484 8676 1 20 . 1 1 30 30 ASN N N 30 117.863 117.863 116.625 1.238 18484 8677 1 20 . 1 1 30 30 ASN HA H 30 4.697 4.697 4.781 -0.084 18484 8678 1 20 . 1 1 30 30 ASN CA C 30 53.107 53.107 52.752 0.355 18484 8679 1 20 . 1 1 30 30 ASN CB C 30 38.876 38.876 38.877 -0.001 18484 8680 1 20 . 1 1 30 30 ASN H H 30 8.323 8.323 8.326 -0.003 18484 8681 1 20 . 1 1 31 31 VAL N N 31 120.074 120.074 116.851 3.223 18484 8682 1 20 . 1 1 31 31 VAL HA H 31 4.131 4.131 4.033 0.098 18484 8683 1 20 . 1 1 31 31 VAL CA C 31 60.983 60.983 63.825 -2.842 18484 8684 1 20 . 1 1 31 31 VAL CB C 31 32.827 32.827 32.056 0.771 18484 8685 1 20 . 1 1 31 31 VAL H H 31 8.041 8.041 8.263 -0.222 18484 8686 1 20 . 1 1 32 32 GLU N N 32 124.378 124.378 120.277 4.101 18484 8687 1 20 . 1 1 32 32 GLU HA H 32 4.339 4.339 4.718 -0.379 18484 8688 1 20 . 1 1 32 32 GLU CA C 32 56.728 56.728 55.372 1.356 18484 8689 1 20 . 1 1 32 32 GLU CB C 32 30.439 30.439 32.489 -2.050 18484 8690 1 20 . 1 1 32 32 GLU H H 32 8.487 8.487 8.156 0.331 18484 8691 1 20 . 1 1 33 33 THR N N 33 116.772 116.772 113.688 3.084 18484 8692 1 20 . 1 1 33 33 THR HA H 33 4.312 4.312 4.490 -0.178 18484 8693 1 20 . 1 1 33 33 THR CA C 33 60.472 60.472 61.743 -1.271 18484 8694 1 20 . 1 1 33 33 THR CB C 33 68.412 68.412 69.450 -1.038 18484 8695 1 20 . 1 1 33 33 THR H H 33 8.224 8.224 7.930 0.294 18484 8696 1 20 . 1 1 34 34 ARG N N 34 124.955 124.955 122.988 1.967 18484 8697 1 20 . 1 1 34 34 ARG HA H 34 4.732 4.732 4.589 0.143 18484 8698 1 20 . 1 1 34 34 ARG CA C 34 53.635 53.635 54.084 -0.449 18484 8699 1 20 . 1 1 34 34 ARG CB C 34 30.581 30.581 30.671 -0.090 18484 8700 1 20 . 1 1 34 34 ARG H H 34 8.438 8.438 7.821 0.617 18484 8701 1 20 . 1 1 35 35 PRO HA H 35 4.667 4.667 4.370 0.297 18484 8702 1 20 . 1 1 35 35 PRO CA C 35 61.995 61.995 63.654 -1.659 18484 8703 1 20 . 1 1 35 35 PRO CB C 35 32.459 32.459 32.414 0.045 18484 8704 1 20 . 1 1 36 36 GLU N N 36 121.398 121.398 118.533 2.865 18484 8705 1 20 . 1 1 36 36 GLU HA H 36 4.509 4.509 4.623 -0.114 18484 8706 1 20 . 1 1 36 36 GLU CA C 36 55.563 55.563 55.797 -0.234 18484 8707 1 20 . 1 1 36 36 GLU CB C 36 31.628 31.628 30.964 0.664 18484 8708 1 20 . 1 1 36 36 GLU H H 36 8.663 8.663 8.527 0.136 18484 8709 1 20 . 1 1 37 37 LEU N N 37 125.233 125.233 122.699 2.534 18484 8710 1 20 . 1 1 37 37 LEU HA H 37 5.240 5.240 4.862 0.378 18484 8711 1 20 . 1 1 37 37 LEU CA C 37 54.120 54.120 54.489 -0.369 18484 8712 1 20 . 1 1 37 37 LEU CB C 37 42.407 42.407 42.435 -0.028 18484 8713 1 20 . 1 1 37 37 LEU H H 37 8.352 8.352 8.451 -0.099 18484 8714 1 20 . 1 1 38 38 ILE N N 38 121.904 121.904 121.830 0.074 18484 8715 1 20 . 1 1 38 38 ILE HA H 38 4.775 4.775 4.570 0.205 18484 8716 1 20 . 1 1 38 38 ILE CA C 38 58.065 58.065 59.921 -1.856 18484 8717 1 20 . 1 1 38 38 ILE CB C 38 41.790 41.790 40.173 1.617 18484 8718 1 20 . 1 1 38 38 ILE H H 38 9.224 9.224 8.881 0.343 18484 8719 1 20 . 1 1 39 39 THR N N 39 111.692 111.692 111.410 0.282 18484 8720 1 20 . 1 1 39 39 THR HA H 39 5.443 5.443 5.119 0.324 18484 8721 1 20 . 1 1 39 39 THR CA C 39 57.825 57.825 61.140 -3.315 18484 8722 1 20 . 1 1 39 39 THR CB C 39 70.337 70.337 70.662 -0.325 18484 8723 1 20 . 1 1 39 39 THR H H 39 8.077 8.077 8.159 -0.082 18484 8724 1 20 . 1 1 40 40 ARG N N 40 121.666 121.666 124.629 -2.963 18484 8725 1 20 . 1 1 40 40 ARG HA H 40 4.707 4.707 4.883 -0.176 18484 8726 1 20 . 1 1 40 40 ARG CA C 40 55.674 55.674 54.665 1.009 18484 8727 1 20 . 1 1 40 40 ARG CB C 40 34.932 34.932 34.121 0.811 18484 8728 1 20 . 1 1 40 40 ARG H H 40 8.558 8.558 9.284 -0.726 18484 8729 1 20 . 1 1 41 41 THR N N 41 115.335 115.335 115.078 0.257 18484 8730 1 20 . 1 1 41 41 THR HA H 41 5.345 5.345 5.167 0.178 18484 8731 1 20 . 1 1 41 41 THR CA C 41 59.028 59.028 61.724 -2.696 18484 8732 1 20 . 1 1 41 41 THR CB C 41 70.332 70.332 71.165 -0.833 18484 8733 1 20 . 1 1 41 41 THR H H 41 8.532 8.532 8.231 0.301 18484 8734 1 20 . 1 1 42 42 GLU N N 42 122.278 122.278 125.315 -3.037 18484 8735 1 20 . 1 1 42 42 GLU HA H 42 4.705 4.705 4.432 0.273 18484 8736 1 20 . 1 1 42 42 GLU CA C 42 54.318 54.318 54.034 0.284 18484 8737 1 20 . 1 1 42 42 GLU CB C 42 33.984 33.984 31.659 2.325 18484 8738 1 20 . 1 1 42 42 GLU H H 42 9.049 9.049 9.262 -0.213 18484 8739 1 20 . 1 1 43 43 GLU N N 43 122.782 122.782 126.284 -3.502 18484 8740 1 20 . 1 1 43 43 GLU HA H 43 4.659 4.659 4.205 0.454 18484 8741 1 20 . 1 1 43 43 GLU CA C 43 56.074 56.074 57.121 -1.047 18484 8742 1 20 . 1 1 43 43 GLU CB C 43 31.559 31.559 29.156 2.403 18484 8743 1 20 . 1 1 43 43 GLU H H 43 8.722 8.722 8.690 0.032 18484 8744 1 20 . 1 1 44 44 ILE N N 44 123.255 123.255 127.549 -4.294 18484 8745 1 20 . 1 1 44 44 ILE HA H 44 4.557 4.557 4.467 0.090 18484 8746 1 20 . 1 1 44 44 ILE CA C 44 55.622 55.622 58.298 -2.676 18484 8747 1 20 . 1 1 44 44 ILE CB C 44 40.902 40.902 38.573 2.329 18484 8748 1 20 . 1 1 44 44 ILE H H 44 7.740 7.740 7.902 -0.162 18484 8749 1 20 . 1 1 45 45 PRO HA H 45 4.177 4.177 4.574 -0.397 18484 8750 1 20 . 1 1 45 45 PRO CA C 45 61.978 61.978 62.231 -0.253 18484 8751 1 20 . 1 1 45 45 PRO CB C 45 32.314 32.314 32.357 -0.043 18484 8752 1 20 . 1 1 46 46 PHE N N 46 114.670 114.670 118.332 -3.662 18484 8753 1 20 . 1 1 46 46 PHE HA H 46 4.913 4.913 4.700 0.213 18484 8754 1 20 . 1 1 46 46 PHE CA C 46 54.749 54.749 56.391 -1.642 18484 8755 1 20 . 1 1 46 46 PHE CB C 46 42.057 42.057 40.718 1.339 18484 8756 1 20 . 1 1 46 46 PHE H H 46 6.912 6.912 8.084 -1.172 18484 8757 1 20 . 1 1 47 47 GLU N N 47 120.217 120.217 118.923 1.294 18484 8758 1 20 . 1 1 47 47 GLU HA H 47 4.600 4.600 4.197 0.403 18484 8759 1 20 . 1 1 47 47 GLU CA C 47 54.771 54.771 55.017 -0.247 18484 8760 1 20 . 1 1 47 47 GLU CB C 47 32.338 32.338 31.118 1.220 18484 8761 1 20 . 1 1 47 47 GLU H H 47 8.271 8.271 8.597 -0.326 18484 8762 1 20 . 1 1 48 48 VAL N N 48 121.331 121.331 125.476 -4.145 18484 8763 1 20 . 1 1 48 48 VAL HA H 48 4.734 4.734 4.246 0.488 18484 8764 1 20 . 1 1 48 48 VAL CA C 48 61.472 61.472 62.915 -1.443 18484 8765 1 20 . 1 1 48 48 VAL CB C 48 32.699 32.699 32.126 0.573 18484 8766 1 20 . 1 1 48 48 VAL H H 48 8.625 8.625 8.414 0.211 18484 8767 1 20 . 1 1 49 49 ILE N N 49 132.310 132.310 129.160 3.150 18484 8768 1 20 . 1 1 49 49 ILE HA H 49 4.205 4.205 4.470 -0.265 18484 8769 1 20 . 1 1 49 49 ILE CA C 49 58.886 58.886 59.118 -0.232 18484 8770 1 20 . 1 1 49 49 ILE CB C 49 39.037 39.037 39.831 -0.794 18484 8771 1 20 . 1 1 49 49 ILE H H 49 9.505 9.505 7.979 1.526 18484 8772 1 20 . 1 1 50 50 LYS N N 50 125.764 125.764 122.142 3.622 18484 8773 1 20 . 1 1 50 50 LYS HA H 50 5.284 5.284 4.857 0.427 18484 8774 1 20 . 1 1 50 50 LYS CA C 50 54.802 54.802 54.805 -0.003 18484 8775 1 20 . 1 1 50 50 LYS CB C 50 34.186 34.186 32.454 1.732 18484 8776 1 20 . 1 1 50 50 LYS H H 50 8.507 8.507 8.267 0.240 18484 8777 1 20 . 1 1 51 51 LYS N N 51 124.935 124.935 125.925 -0.990 18484 8778 1 20 . 1 1 51 51 LYS HA H 51 4.608 4.608 4.393 0.215 18484 8779 1 20 . 1 1 51 51 LYS CA C 51 54.006 54.006 55.925 -1.919 18484 8780 1 20 . 1 1 51 51 LYS CB C 51 34.756 34.756 34.886 -0.131 18484 8781 1 20 . 1 1 51 51 LYS H H 51 9.066 9.066 8.285 0.781 18484 8782 1 20 . 1 1 52 52 GLU N N 52 124.186 124.186 122.985 1.201 18484 8783 1 20 . 1 1 52 52 GLU HA H 52 4.621 4.621 4.812 -0.191 18484 8784 1 20 . 1 1 52 52 GLU CA C 52 55.931 55.931 55.752 0.179 18484 8785 1 20 . 1 1 52 52 GLU CB C 52 31.036 31.036 30.493 0.543 18484 8786 1 20 . 1 1 52 52 GLU H H 52 8.777 8.777 8.515 0.262 18484 8787 1 20 . 1 1 53 53 ASN N N 53 121.687 121.687 126.414 -4.727 18484 8788 1 20 . 1 1 53 53 ASN HA H 53 5.240 5.240 5.222 0.018 18484 8789 1 20 . 1 1 53 53 ASN CA C 53 49.409 49.409 50.002 -0.592 18484 8790 1 20 . 1 1 53 53 ASN CB C 53 40.473 40.473 39.833 0.640 18484 8791 1 20 . 1 1 53 53 ASN H H 53 8.890 8.890 8.515 0.375 18484 8792 1 20 . 1 1 54 54 PRO HA H 54 4.587 4.587 4.388 0.199 18484 8793 1 20 . 1 1 54 54 PRO CA C 54 62.650 62.650 64.508 -1.858 18484 8794 1 20 . 1 1 54 54 PRO CB C 54 32.219 32.219 32.184 0.035 18484 8795 1 20 . 1 1 55 55 ASN N N 55 115.629 115.629 116.018 -0.389 18484 8796 1 20 . 1 1 55 55 ASN HA H 55 4.695 4.695 4.521 0.174 18484 8797 1 20 . 1 1 55 55 ASN CA C 55 53.685 53.685 54.322 -0.637 18484 8798 1 20 . 1 1 55 55 ASN CB C 55 39.137 39.137 38.457 0.680 18484 8799 1 20 . 1 1 55 55 ASN H H 55 8.422 8.422 8.124 0.298 18484 8800 1 20 . 1 1 56 56 LEU N N 56 121.277 121.277 121.213 0.064 18484 8801 1 20 . 1 1 56 56 LEU HA H 56 4.686 4.686 4.247 0.439 18484 8802 1 20 . 1 1 56 56 LEU CA C 56 52.145 52.145 54.514 -2.369 18484 8803 1 20 . 1 1 56 56 LEU CB C 56 42.456 42.456 41.876 0.580 18484 8804 1 20 . 1 1 56 56 LEU H H 56 7.278 7.278 7.385 -0.107 18484 8805 1 20 . 1 1 57 57 PRO HA H 57 4.298 4.298 4.474 -0.176 18484 8806 1 20 . 1 1 57 57 PRO CA C 57 61.332 61.332 62.228 -0.896 18484 8807 1 20 . 1 1 57 57 PRO CB C 57 32.232 32.232 31.088 1.144 18484 8808 1 20 . 1 1 58 58 ALA N N 58 123.896 123.896 122.152 1.744 18484 8809 1 20 . 1 1 58 58 ALA HA H 58 3.892 3.892 3.930 -0.038 18484 8810 1 20 . 1 1 58 58 ALA CA C 58 53.559 53.559 52.893 0.666 18484 8811 1 20 . 1 1 58 58 ALA CB C 58 19.480 19.480 18.421 1.060 18484 8812 1 20 . 1 1 58 58 ALA H H 58 8.263 8.263 7.790 0.473 18484 8813 1 20 . 1 1 59 59 GLY N N 59 110.843 110.843 109.479 1.364 18484 8814 1 20 . 1 1 59 59 GLY CA C 59 45.339 45.339 45.658 -0.319 18484 8815 1 20 . 1 1 59 59 GLY H H 59 8.755 8.755 8.586 0.169 18484 8816 1 20 . 1 1 60 60 GLN N N 60 121.444 121.444 118.305 3.139 18484 8817 1 20 . 1 1 60 60 GLN HA H 60 4.251 4.251 4.630 -0.379 18484 8818 1 20 . 1 1 60 60 GLN CA C 60 56.080 56.080 54.349 1.731 18484 8819 1 20 . 1 1 60 60 GLN CB C 60 29.876 29.876 31.316 -1.440 18484 8820 1 20 . 1 1 60 60 GLN H H 60 7.877 7.877 7.999 -0.122 18484 8821 1 20 . 1 1 61 61 GLU N N 61 123.364 123.364 121.630 1.734 18484 8822 1 20 . 1 1 61 61 GLU HA H 61 5.241 5.241 5.510 -0.269 18484 8823 1 20 . 1 1 61 61 GLU CA C 61 55.012 55.012 54.247 0.765 18484 8824 1 20 . 1 1 61 61 GLU CB C 61 32.368 32.368 33.193 -0.825 18484 8825 1 20 . 1 1 61 61 GLU H H 61 8.419 8.419 8.612 -0.193 18484 8826 1 20 . 1 1 62 62 ASN N N 62 121.499 121.499 119.169 2.330 18484 8827 1 20 . 1 1 62 62 ASN HA H 62 5.078 5.078 4.943 0.135 18484 8828 1 20 . 1 1 62 62 ASN CA C 62 51.617 51.617 51.718 -0.101 18484 8829 1 20 . 1 1 62 62 ASN CB C 62 40.999 40.999 40.803 0.196 18484 8830 1 20 . 1 1 62 62 ASN H H 62 9.164 9.164 8.376 0.788 18484 8831 1 20 . 1 1 63 63 ILE N N 63 125.976 125.976 120.063 5.913 18484 8832 1 20 . 1 1 63 63 ILE HA H 63 3.979 3.979 4.584 -0.605 18484 8833 1 20 . 1 1 63 63 ILE CA C 63 61.650 61.650 59.459 2.192 18484 8834 1 20 . 1 1 63 63 ILE CB C 63 37.404 37.404 36.670 0.734 18484 8835 1 20 . 1 1 63 63 ILE H H 63 9.032 9.032 8.517 0.515 18484 8836 1 20 . 1 1 64 64 ILE N N 64 130.073 130.073 127.378 2.695 18484 8837 1 20 . 1 1 64 64 ILE HA H 64 4.139 4.139 3.964 0.175 18484 8838 1 20 . 1 1 64 64 ILE CA C 64 60.699 60.699 62.792 -2.094 18484 8839 1 20 . 1 1 64 64 ILE CB C 64 38.029 38.029 37.658 0.371 18484 8840 1 20 . 1 1 64 64 ILE H H 64 8.876 8.876 8.595 0.281 18484 8841 1 20 . 1 1 65 65 THR N N 65 116.771 116.771 114.725 2.046 18484 8842 1 20 . 1 1 65 65 THR HA H 65 4.349 4.349 4.426 -0.077 18484 8843 1 20 . 1 1 65 65 THR CA C 65 60.066 60.066 60.892 -0.826 18484 8844 1 20 . 1 1 65 65 THR CB C 65 71.059 71.059 70.121 0.938 18484 8845 1 20 . 1 1 65 65 THR H H 65 7.699 7.699 7.467 0.232 18484 8846 1 20 . 1 1 66 66 ALA N N 66 130.117 130.117 128.633 1.484 18484 8847 1 20 . 1 1 66 66 ALA HA H 66 3.928 3.928 4.057 -0.129 18484 8848 1 20 . 1 1 66 66 ALA CA C 66 51.617 51.617 52.746 -1.129 18484 8849 1 20 . 1 1 66 66 ALA CB C 66 19.653 19.653 19.324 0.329 18484 8850 1 20 . 1 1 66 66 ALA H H 66 8.579 8.579 8.299 0.280 18484 8851 1 20 . 1 1 67 67 GLY N N 67 107.619 107.619 109.374 -1.755 18484 8852 1 20 . 1 1 67 67 GLY CA C 67 43.606 43.606 43.688 -0.082 18484 8853 1 20 . 1 1 67 67 GLY H H 67 8.387 8.387 7.975 0.412 18484 8854 1 20 . 1 1 68 68 VAL N N 68 123.776 123.776 122.901 0.875 18484 8855 1 20 . 1 1 68 68 VAL HA H 68 4.124 4.124 4.329 -0.205 18484 8856 1 20 . 1 1 68 68 VAL CA C 68 60.443 60.443 60.600 -0.157 18484 8857 1 20 . 1 1 68 68 VAL CB C 68 34.972 34.972 35.929 -0.957 18484 8858 1 20 . 1 1 68 68 VAL H H 68 8.966 8.966 8.331 0.635 18484 8859 1 20 . 1 1 69 69 LYS N N 69 125.803 125.803 127.694 -1.891 18484 8860 1 20 . 1 1 69 69 LYS HA H 69 4.448 4.448 4.311 0.138 18484 8861 1 20 . 1 1 69 69 LYS CA C 69 57.012 57.012 57.471 -0.459 18484 8862 1 20 . 1 1 69 69 LYS CB C 69 33.410 33.410 32.055 1.355 18484 8863 1 20 . 1 1 69 69 LYS H H 69 8.799 8.799 8.974 -0.175 18484 8864 1 20 . 1 1 70 70 GLY N N 70 108.188 108.188 112.788 -4.600 18484 8865 1 20 . 1 1 70 70 GLY CA C 70 43.549 43.549 44.673 -1.124 18484 8866 1 20 . 1 1 70 70 GLY H H 70 8.858 8.858 8.015 0.843 18484 8867 1 20 . 1 1 71 71 GLU N N 71 123.030 123.030 119.086 3.944 18484 8868 1 20 . 1 1 71 71 GLU HA H 71 5.059 5.059 4.644 0.415 18484 8869 1 20 . 1 1 71 71 GLU CA C 71 56.146 56.146 56.607 -0.461 18484 8870 1 20 . 1 1 71 71 GLU CB C 71 36.142 36.142 31.936 4.207 18484 8871 1 20 . 1 1 71 71 GLU H H 71 9.538 9.538 8.314 1.224 18484 8872 1 20 . 1 1 72 72 ARG N N 72 126.426 126.426 125.765 0.661 18484 8873 1 20 . 1 1 72 72 ARG HA H 72 5.059 5.059 4.812 0.247 18484 8874 1 20 . 1 1 72 72 ARG CA C 72 54.001 54.001 54.550 -0.549 18484 8875 1 20 . 1 1 72 72 ARG CB C 72 33.500 33.500 32.499 1.001 18484 8876 1 20 . 1 1 72 72 ARG H H 72 9.191 9.191 8.092 1.099 18484 8877 1 20 . 1 1 73 73 THR N N 73 120.983 120.983 122.925 -1.942 18484 8878 1 20 . 1 1 73 73 THR HA H 73 4.522 4.522 4.838 -0.316 18484 8879 1 20 . 1 1 73 73 THR CA C 73 60.953 60.953 64.350 -3.397 18484 8880 1 20 . 1 1 73 73 THR CB C 73 68.412 68.412 69.783 -1.371 18484 8881 1 20 . 1 1 73 73 THR H H 73 9.249 9.249 8.300 0.949 18484 8882 1 20 . 1 1 74 74 HIS N N 74 125.685 125.685 124.869 0.816 18484 8883 1 20 . 1 1 74 74 HIS HA H 74 5.153 5.153 4.532 0.621 18484 8884 1 20 . 1 1 74 74 HIS CA C 74 54.487 54.487 55.333 -0.846 18484 8885 1 20 . 1 1 74 74 HIS CB C 74 32.997 32.997 31.606 1.391 18484 8886 1 20 . 1 1 74 74 HIS H H 74 9.056 9.056 9.095 -0.040 18484 8887 1 20 . 1 1 75 75 TYR N N 75 123.688 123.688 125.486 -1.798 18484 8888 1 20 . 1 1 75 75 TYR HA H 75 4.868 4.868 4.986 -0.118 18484 8889 1 20 . 1 1 75 75 TYR CA C 75 56.499 56.499 54.235 2.264 18484 8890 1 20 . 1 1 75 75 TYR CB C 75 38.425 38.425 36.491 1.934 18484 8891 1 20 . 1 1 75 75 TYR H H 75 8.945 8.945 7.643 1.302 18484 8892 1 20 . 1 1 76 76 ILE N N 76 125.717 125.717 124.593 1.124 18484 8893 1 20 . 1 1 76 76 ILE HA H 76 4.800 4.800 4.344 0.456 18484 8894 1 20 . 1 1 76 76 ILE CA C 76 58.787 58.787 60.872 -2.085 18484 8895 1 20 . 1 1 76 76 ILE CB C 76 42.034 42.034 39.355 2.679 18484 8896 1 20 . 1 1 76 76 ILE H H 76 9.079 9.079 8.314 0.765 18484 8897 1 20 . 1 1 77 77 SER N N 77 120.473 120.473 120.289 0.184 18484 8898 1 20 . 1 1 77 77 SER HA H 77 5.183 5.183 4.754 0.429 18484 8899 1 20 . 1 1 77 77 SER CA C 77 55.930 55.930 57.397 -1.467 18484 8900 1 20 . 1 1 77 77 SER CB C 77 63.118 63.118 64.684 -1.566 18484 8901 1 20 . 1 1 77 77 SER H H 77 9.047 9.047 8.089 0.958 18484 8902 1 20 . 1 1 78 78 VAL N N 78 128.488 128.488 127.633 0.855 18484 8903 1 20 . 1 1 78 78 VAL HA H 78 4.729 4.729 4.227 0.502 18484 8904 1 20 . 1 1 78 78 VAL CA C 78 60.517 60.517 61.421 -0.904 18484 8905 1 20 . 1 1 78 78 VAL CB C 78 33.685 33.685 32.013 1.672 18484 8906 1 20 . 1 1 78 78 VAL H H 78 9.301 9.301 7.857 1.444 18484 8907 1 20 . 1 1 79 79 LEU N N 79 129.698 129.698 130.764 -1.066 18484 8908 1 20 . 1 1 79 79 LEU HA H 79 4.783 4.783 4.688 0.095 18484 8909 1 20 . 1 1 79 79 LEU CA C 79 53.873 53.873 54.056 -0.183 18484 8910 1 20 . 1 1 79 79 LEU CB C 79 45.605 45.605 42.960 2.645 18484 8911 1 20 . 1 1 79 79 LEU H H 79 8.553 8.553 8.161 0.392 18484 8912 1 20 . 1 1 80 80 THR N N 80 123.276 123.276 121.862 1.414 18484 8913 1 20 . 1 1 80 80 THR HA H 80 5.096 5.096 4.490 0.606 18484 8914 1 20 . 1 1 80 80 THR CA C 80 60.231 60.231 62.329 -2.098 18484 8915 1 20 . 1 1 80 80 THR CB C 80 68.171 68.171 68.373 -0.202 18484 8916 1 20 . 1 1 80 80 THR H H 80 8.754 8.754 8.756 -0.002 18484 8917 1 20 . 1 1 81 81 GLU N N 81 125.405 125.405 127.888 -2.483 18484 8918 1 20 . 1 1 81 81 GLU HA H 81 4.530 4.530 4.297 0.233 18484 8919 1 20 . 1 1 81 81 GLU CA C 81 55.372 55.372 56.110 -0.738 18484 8920 1 20 . 1 1 81 81 GLU CB C 81 32.374 32.374 29.023 3.350 18484 8921 1 20 . 1 1 81 81 GLU H H 81 8.615 8.615 8.311 0.304 18484 8922 1 20 . 1 1 82 82 ASN N N 82 124.375 124.375 120.991 3.384 18484 8923 1 20 . 1 1 82 82 ASN HA H 82 4.360 4.360 4.398 -0.038 18484 8924 1 20 . 1 1 82 82 ASN CA C 82 54.328 54.328 53.487 0.841 18484 8925 1 20 . 1 1 82 82 ASN CB C 82 37.432 37.432 37.499 -0.067 18484 8926 1 20 . 1 1 82 82 ASN H H 82 9.559 9.559 8.835 0.724 18484 8927 1 20 . 1 1 83 83 GLY N N 83 103.733 103.733 105.117 -1.384 18484 8928 1 20 . 1 1 83 83 GLY CA C 83 45.359 45.359 44.628 0.731 18484 8929 1 20 . 1 1 83 83 GLY H H 83 8.626 8.626 8.159 0.467 18484 8930 1 20 . 1 1 84 84 LYS N N 84 121.407 121.407 119.691 1.716 18484 8931 1 20 . 1 1 84 84 LYS HA H 84 4.698 4.698 4.517 0.181 18484 8932 1 20 . 1 1 84 84 LYS CA C 84 55.182 55.182 55.543 -0.361 18484 8933 1 20 . 1 1 84 84 LYS CB C 84 34.807 34.807 35.079 -0.272 18484 8934 1 20 . 1 1 84 84 LYS H H 84 7.813 7.813 7.995 -0.182 18484 8935 1 20 . 1 1 85 85 THR N N 85 121.799 121.799 121.613 0.186 18484 8936 1 20 . 1 1 85 85 THR HA H 85 5.194 5.194 4.842 0.352 18484 8937 1 20 . 1 1 85 85 THR CA C 85 60.472 60.472 61.948 -1.476 18484 8938 1 20 . 1 1 85 85 THR CB C 85 69.134 69.134 69.302 -0.168 18484 8939 1 20 . 1 1 85 85 THR H H 85 8.796 8.796 8.478 0.318 18484 8940 1 20 . 1 1 86 86 THR N N 86 122.071 122.071 122.433 -0.362 18484 8941 1 20 . 1 1 86 86 THR HA H 86 4.535 4.535 4.596 -0.061 18484 8942 1 20 . 1 1 86 86 THR CA C 86 59.990 59.990 61.167 -1.177 18484 8943 1 20 . 1 1 86 86 THR CB C 86 69.856 69.856 70.880 -1.024 18484 8944 1 20 . 1 1 86 86 THR H H 86 9.134 9.134 8.147 0.987 18484 8945 1 20 . 1 1 87 87 GLU N N 87 126.429 126.429 123.435 2.994 18484 8946 1 20 . 1 1 87 87 GLU HA H 87 5.030 5.030 4.606 0.424 18484 8947 1 20 . 1 1 87 87 GLU CA C 87 55.029 55.029 55.483 -0.454 18484 8948 1 20 . 1 1 87 87 GLU CB C 87 31.746 31.746 30.038 1.708 18484 8949 1 20 . 1 1 87 87 GLU H H 87 8.905 8.905 8.607 0.298 18484 8950 1 20 . 1 1 88 88 THR N N 88 120.353 120.353 119.983 0.370 18484 8951 1 20 . 1 1 88 88 THR HA H 88 4.450 4.450 4.528 -0.078 18484 8952 1 20 . 1 1 88 88 THR CA C 88 60.472 60.472 61.210 -0.738 18484 8953 1 20 . 1 1 88 88 THR CB C 88 70.646 70.646 70.952 -0.306 18484 8954 1 20 . 1 1 88 88 THR H H 88 9.016 9.016 8.494 0.522 18484 8955 1 20 . 1 1 89 89 VAL N N 89 128.484 128.484 126.952 1.532 18484 8956 1 20 . 1 1 89 89 VAL HA H 89 3.978 3.978 3.925 0.053 18484 8957 1 20 . 1 1 89 89 VAL CA C 89 62.471 62.471 64.116 -1.645 18484 8958 1 20 . 1 1 89 89 VAL CB C 89 31.216 31.216 32.319 -1.103 18484 8959 1 20 . 1 1 89 89 VAL H H 89 9.054 9.054 8.872 0.182 18484 8960 1 20 . 1 1 90 90 LEU N N 90 130.587 130.587 130.006 0.581 18484 8961 1 20 . 1 1 90 90 LEU HA H 90 4.325 4.325 4.744 -0.419 18484 8962 1 20 . 1 1 90 90 LEU CA C 90 56.129 56.129 54.995 1.135 18484 8963 1 20 . 1 1 90 90 LEU CB C 90 42.958 42.958 42.940 0.018 18484 8964 1 20 . 1 1 90 90 LEU H H 90 9.426 9.426 8.446 0.980 18484 8965 1 20 . 1 1 91 91 ASP N N 91 114.928 114.928 118.100 -3.172 18484 8966 1 20 . 1 1 91 91 ASP HA H 91 4.846 4.846 4.719 0.127 18484 8967 1 20 . 1 1 91 91 ASP CA C 91 53.688 53.688 53.444 0.244 18484 8968 1 20 . 1 1 91 91 ASP CB C 91 43.521 43.521 43.755 -0.234 18484 8969 1 20 . 1 1 91 91 ASP H H 91 7.924 7.924 8.019 -0.095 18484 8970 1 20 . 1 1 92 92 SER N N 92 117.203 117.203 116.791 0.412 18484 8971 1 20 . 1 1 92 92 SER HA H 92 5.519 5.519 2.665 2.854 18484 8972 1 20 . 1 1 92 92 SER CA C 92 56.622 56.622 56.141 0.481 18484 8973 1 20 . 1 1 92 92 SER CB C 92 63.359 63.359 64.721 -1.362 18484 8974 1 20 . 1 1 92 92 SER H H 92 8.376 8.376 8.131 0.245 18484 8975 1 20 . 1 1 93 93 GLN N N 93 122.058 122.058 119.494 2.564 18484 8976 1 20 . 1 1 93 93 GLN HA H 93 4.731 4.731 4.512 0.219 18484 8977 1 20 . 1 1 93 93 GLN CA C 93 54.781 54.781 53.861 0.920 18484 8978 1 20 . 1 1 93 93 GLN CB C 93 33.312 33.312 31.708 1.604 18484 8979 1 20 . 1 1 93 93 GLN H H 93 9.005 9.005 7.988 1.017 18484 8980 1 20 . 1 1 94 94 VAL N N 94 125.231 125.231 120.852 4.379 18484 8981 1 20 . 1 1 94 94 VAL HA H 94 4.233 4.233 4.126 0.107 18484 8982 1 20 . 1 1 94 94 VAL CA C 94 63.282 63.282 62.480 0.802 18484 8983 1 20 . 1 1 94 94 VAL CB C 94 30.906 30.906 32.191 -1.285 18484 8984 1 20 . 1 1 94 94 VAL H H 94 9.085 9.085 8.566 0.519 18484 8985 1 20 . 1 1 95 95 THR N N 95 121.170 121.170 122.070 -0.900 18484 8986 1 20 . 1 1 95 95 THR HA H 95 4.384 4.384 4.585 -0.201 18484 8987 1 20 . 1 1 95 95 THR CA C 95 60.953 60.953 60.878 0.075 18484 8988 1 20 . 1 1 95 95 THR CB C 95 68.653 68.653 68.413 0.240 18484 8989 1 20 . 1 1 95 95 THR H H 95 8.521 8.521 8.273 0.248 18484 8990 1 20 . 1 1 96 96 LYS N N 96 123.236 123.236 121.720 1.516 18484 8991 1 20 . 1 1 96 96 LYS HA H 96 4.418 4.418 4.217 0.201 18484 8992 1 20 . 1 1 96 96 LYS CA C 96 56.418 56.418 57.093 -0.675 18484 8993 1 20 . 1 1 96 96 LYS CB C 96 35.690 35.690 33.741 1.949 18484 8994 1 20 . 1 1 96 96 LYS H H 96 7.912 7.912 8.122 -0.210 18484 8995 1 20 . 1 1 97 97 GLU N N 97 125.835 125.835 119.581 6.254 18484 8996 1 20 . 1 1 97 97 GLU HA H 97 4.151 4.151 4.069 0.082 18484 8997 1 20 . 1 1 97 97 GLU CA C 97 56.412 56.412 56.953 -0.541 18484 8998 1 20 . 1 1 97 97 GLU CB C 97 29.948 29.948 29.363 0.585 18484 8999 1 20 . 1 1 97 97 GLU H H 97 8.665 8.665 8.276 0.389 18484 9000 1 20 . 1 1 98 98 VAL N N 98 122.204 122.204 122.524 -0.320 18484 9001 1 20 . 1 1 98 98 VAL HA H 98 3.915 3.915 4.219 -0.304 18484 9002 1 20 . 1 1 98 98 VAL CA C 98 60.208 60.208 62.866 -2.658 18484 9003 1 20 . 1 1 98 98 VAL CB C 98 33.692 33.692 32.420 1.272 18484 9004 1 20 . 1 1 98 98 VAL H H 98 8.339 8.339 8.260 0.079 18484 9005 1 20 . 1 1 99 99 ILE N N 99 127.874 127.874 129.431 -1.557 18484 9006 1 20 . 1 1 99 99 ILE HA H 99 4.197 4.197 3.955 0.242 18484 9007 1 20 . 1 1 99 99 ILE CA C 99 60.606 60.606 61.702 -1.096 18484 9008 1 20 . 1 1 99 99 ILE CB C 99 39.186 39.186 38.219 0.967 18484 9009 1 20 . 1 1 99 99 ILE H H 99 8.608 8.608 7.907 0.701 18484 9010 1 20 . 1 1 100 100 ASN N N 100 123.343 123.343 125.314 -1.971 18484 9011 1 20 . 1 1 100 100 ASN HA H 100 4.914 4.914 4.805 0.109 18484 9012 1 20 . 1 1 100 100 ASN CA C 100 53.704 53.704 52.351 1.353 18484 9013 1 20 . 1 1 100 100 ASN CB C 100 37.731 37.731 39.774 -2.043 18484 9014 1 20 . 1 1 100 100 ASN H H 100 8.446 8.446 8.360 0.086 18484 9015 1 20 . 1 1 101 101 GLN N N 101 120.980 120.980 122.464 -1.484 18484 9016 1 20 . 1 1 101 101 GLN HA H 101 4.325 4.325 4.424 -0.099 18484 9017 1 20 . 1 1 101 101 GLN CA C 101 54.659 54.659 55.641 -0.982 18484 9018 1 20 . 1 1 101 101 GLN CB C 101 31.616 31.616 28.714 2.902 18484 9019 1 20 . 1 1 101 101 GLN H H 101 8.254 8.254 8.671 -0.417 18484 9020 1 20 . 1 1 102 102 VAL N N 102 127.057 127.057 128.661 -1.604 18484 9021 1 20 . 1 1 102 102 VAL HA H 102 4.965 4.965 4.042 0.923 18484 9022 1 20 . 1 1 102 102 VAL CA C 102 60.264 60.264 62.274 -2.010 18484 9023 1 20 . 1 1 102 102 VAL CB C 102 33.626 33.626 30.733 2.893 18484 9024 1 20 . 1 1 102 102 VAL H H 102 8.742 8.742 8.633 0.109 18484 9025 1 20 . 1 1 103 103 VAL N N 103 127.794 127.794 123.324 4.470 18484 9026 1 20 . 1 1 103 103 VAL HA H 103 4.812 4.812 5.135 -0.323 18484 9027 1 20 . 1 1 103 103 VAL CA C 103 58.547 58.547 59.560 -1.013 18484 9028 1 20 . 1 1 103 103 VAL CB C 103 35.718 35.718 34.416 1.302 18484 9029 1 20 . 1 1 103 103 VAL H H 103 9.160 9.160 7.797 1.363 18484 9030 1 20 . 1 1 104 104 GLU N N 104 125.160 125.160 127.092 -1.932 18484 9031 1 20 . 1 1 104 104 GLU HA H 104 5.513 5.513 4.678 0.835 18484 9032 1 20 . 1 1 104 104 GLU CA C 104 53.721 53.721 55.030 -1.309 18484 9033 1 20 . 1 1 104 104 GLU CB C 104 32.383 32.383 31.676 0.707 18484 9034 1 20 . 1 1 104 104 GLU H H 104 9.085 9.085 8.382 0.703 18484 9035 1 20 . 1 1 105 105 VAL N N 105 117.602 117.602 119.888 -2.286 18484 9036 1 20 . 1 1 105 105 VAL HA H 105 5.241 5.241 5.273 -0.032 18484 9037 1 20 . 1 1 105 105 VAL CA C 105 57.055 57.055 59.334 -2.279 18484 9038 1 20 . 1 1 105 105 VAL CB C 105 35.204 35.204 32.921 2.283 18484 9039 1 20 . 1 1 105 105 VAL H H 105 8.536 8.536 8.992 -0.456 18484 9040 1 20 . 1 1 106 106 GLY N N 106 111.023 111.023 114.824 -3.801 18484 9041 1 20 . 1 1 106 106 GLY CA C 106 46.117 46.117 45.184 0.933 18484 9042 1 20 . 1 1 106 106 GLY H H 106 8.635 8.635 8.692 -0.057 18484 9043 1 20 . 1 1 107 107 ALA N N 107 127.369 127.369 126.778 0.591 18484 9044 1 20 . 1 1 107 107 ALA HA H 107 4.515 4.515 4.497 0.018 18484 9045 1 20 . 1 1 107 107 ALA CA C 107 50.477 50.477 50.790 -0.313 18484 9046 1 20 . 1 1 107 107 ALA CB C 107 19.924 19.924 20.012 -0.088 18484 9047 1 20 . 1 1 107 107 ALA H H 107 7.929 7.929 7.700 0.229 18484 9048 1 20 . 1 1 108 108 PRO HA H 108 4.494 4.494 4.700 -0.206 18484 9049 1 20 . 1 1 108 108 PRO CA C 108 61.698 61.698 63.188 -1.490 18484 9050 1 20 . 1 1 108 108 PRO CB C 108 31.900 31.900 32.555 -0.655 18484 9051 1 20 . 1 1 109 109 VAL N N 109 119.821 119.821 116.317 3.504 18484 9052 1 20 . 1 1 109 109 VAL HA H 109 4.092 4.092 4.137 -0.045 18484 9053 1 20 . 1 1 109 109 VAL CA C 109 60.949 60.949 62.242 -1.293 18484 9054 1 20 . 1 1 109 109 VAL CB C 109 32.389 32.389 32.628 -0.239 18484 9055 1 20 . 1 1 109 109 VAL H H 109 8.303 8.303 8.223 0.080 18484 9056 1 20 . 1 1 110 110 THR N N 110 118.171 118.171 115.617 2.554 18484 9057 1 20 . 1 1 110 110 THR HA H 110 4.338 4.338 4.041 0.297 18484 9058 1 20 . 1 1 110 110 THR CA C 110 59.028 59.028 63.452 -4.424 18484 9059 1 20 . 1 1 110 110 THR CB C 110 67.676 67.676 68.742 -1.066 18484 9060 1 20 . 1 1 110 110 THR H H 110 8.209 8.209 7.896 0.313 18484 9061 1 21 . 1 1 2 2 GLY N N 2 110.403 110.403 110.648 -0.245 18484 9062 1 21 . 1 1 2 2 GLY H H 2 8.459 8.459 8.312 0.147 18484 9063 1 21 . 1 1 10 10 SER HA H 10 4.435 4.435 4.265 0.170 18484 9064 1 21 . 1 1 11 11 SER CA C 11 57.649 57.649 58.801 -1.152 18484 9065 1 21 . 1 1 11 11 SER CB C 11 62.672 62.672 63.058 -0.386 18484 9066 1 21 . 1 1 12 12 GLY N N 12 110.471 110.471 106.038 4.433 18484 9067 1 21 . 1 1 12 12 GLY CA C 12 45.312 45.312 44.883 0.429 18484 9068 1 21 . 1 1 12 12 GLY H H 12 8.365 8.365 8.102 0.263 18484 9069 1 21 . 1 1 13 13 LEU N N 13 121.432 121.432 123.650 -2.218 18484 9070 1 21 . 1 1 13 13 LEU HA H 13 4.327 4.327 4.820 -0.493 18484 9071 1 21 . 1 1 13 13 LEU CA C 13 55.573 55.573 54.582 0.991 18484 9072 1 21 . 1 1 13 13 LEU CB C 13 42.428 42.428 42.159 0.269 18484 9073 1 21 . 1 1 13 13 LEU H H 13 8.024 8.024 7.841 0.183 18484 9074 1 21 . 1 1 14 14 VAL N N 14 122.309 122.309 117.304 5.005 18484 9075 1 21 . 1 1 14 14 VAL H H 14 8.062 8.062 7.873 0.189 18484 9076 1 21 . 1 1 16 16 ARG N N 16 121.951 121.951 122.518 -0.567 18484 9077 1 21 . 1 1 16 16 ARG HA H 16 4.312 4.312 4.301 0.011 18484 9078 1 21 . 1 1 16 16 ARG CA C 16 56.102 56.102 55.990 0.112 18484 9079 1 21 . 1 1 16 16 ARG CB C 16 30.891 30.891 30.806 0.085 18484 9080 1 21 . 1 1 16 16 ARG H H 16 8.465 8.465 8.344 0.121 18484 9081 1 21 . 1 1 20 20 MET HA H 20 4.435 4.435 4.236 0.199 18484 9082 1 21 . 1 1 20 20 MET CA C 20 55.500 55.500 56.251 -0.751 18484 9083 1 21 . 1 1 20 20 MET CB C 20 32.070 32.070 32.521 -0.451 18484 9084 1 21 . 1 1 21 21 SER N N 21 117.005 117.005 123.034 -6.029 18484 9085 1 21 . 1 1 21 21 SER HA H 21 4.435 4.435 4.708 -0.273 18484 9086 1 21 . 1 1 21 21 SER CA C 21 57.066 57.066 58.291 -1.225 18484 9087 1 21 . 1 1 21 21 SER CB C 21 62.566 62.566 62.804 -0.238 18484 9088 1 21 . 1 1 21 21 SER H H 21 8.332 8.332 8.332 0.000 18484 9089 1 21 . 1 1 22 22 LEU N N 22 124.083 124.083 120.865 3.218 18484 9090 1 21 . 1 1 22 22 LEU HA H 22 4.348 4.348 4.941 -0.593 18484 9091 1 21 . 1 1 22 22 LEU CA C 22 55.471 55.471 54.225 1.246 18484 9092 1 21 . 1 1 22 22 LEU CB C 22 42.322 42.322 44.250 -1.928 18484 9093 1 21 . 1 1 22 22 LEU H H 22 8.340 8.340 7.614 0.726 18484 9094 1 21 . 1 1 23 23 ASP N N 23 120.867 120.867 119.948 0.919 18484 9095 1 21 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.482 0.084 18484 9096 1 21 . 1 1 23 23 ASP CA C 23 54.687 54.687 55.749 -1.062 18484 9097 1 21 . 1 1 23 23 ASP CB C 23 41.553 41.553 41.297 0.256 18484 9098 1 21 . 1 1 23 23 ASP H H 23 8.312 8.312 8.802 -0.490 18484 9099 1 21 . 1 1 24 24 GLU N N 24 121.470 121.470 119.108 2.362 18484 9100 1 21 . 1 1 24 24 GLU HA H 24 4.566 4.566 4.295 0.271 18484 9101 1 21 . 1 1 24 24 GLU CA C 24 56.921 56.921 56.433 0.488 18484 9102 1 21 . 1 1 24 24 GLU CB C 24 30.015 30.015 30.505 -0.490 18484 9103 1 21 . 1 1 24 24 GLU H H 24 8.411 8.411 8.188 0.223 18484 9104 1 21 . 1 1 25 25 ASN N N 25 118.582 118.582 120.967 -2.385 18484 9105 1 21 . 1 1 25 25 ASN HA H 25 4.707 4.707 4.834 -0.127 18484 9106 1 21 . 1 1 25 25 ASN CA C 25 53.593 53.593 52.772 0.821 18484 9107 1 21 . 1 1 25 25 ASN CB C 25 39.188 39.188 39.849 -0.661 18484 9108 1 21 . 1 1 25 25 ASN H H 25 8.436 8.436 8.615 -0.179 18484 9109 1 21 . 1 1 26 26 GLU N N 26 121.262 121.262 124.454 -3.192 18484 9110 1 21 . 1 1 26 26 GLU HA H 26 4.247 4.247 4.151 0.096 18484 9111 1 21 . 1 1 26 26 GLU CA C 26 56.310 56.310 58.723 -2.413 18484 9112 1 21 . 1 1 26 26 GLU CB C 26 30.342 30.342 29.700 0.642 18484 9113 1 21 . 1 1 26 26 GLU H H 26 8.196 8.196 8.862 -0.666 18484 9114 1 21 . 1 1 27 27 VAL N N 27 121.381 121.381 116.471 4.910 18484 9115 1 21 . 1 1 27 27 VAL HA H 27 4.036 4.036 4.144 -0.108 18484 9116 1 21 . 1 1 27 27 VAL CA C 27 62.396 62.396 62.158 0.238 18484 9117 1 21 . 1 1 27 27 VAL CB C 27 32.770 32.770 32.485 0.285 18484 9118 1 21 . 1 1 27 27 VAL H H 27 8.092 8.092 8.114 -0.022 18484 9119 1 21 . 1 1 28 28 ALA N N 28 127.549 127.549 122.864 4.685 18484 9120 1 21 . 1 1 28 28 ALA HA H 28 4.300 4.300 4.098 0.202 18484 9121 1 21 . 1 1 28 28 ALA CA C 28 52.388 52.388 52.553 -0.165 18484 9122 1 21 . 1 1 28 28 ALA CB C 28 20.383 20.383 17.976 2.407 18484 9123 1 21 . 1 1 28 28 ALA H H 28 8.280 8.280 7.897 0.383 18484 9124 1 21 . 1 1 29 29 ALA N N 29 122.963 122.963 125.094 -2.131 18484 9125 1 21 . 1 1 29 29 ALA HA H 29 4.257 4.257 4.343 -0.086 18484 9126 1 21 . 1 1 29 29 ALA CA C 29 52.737 52.737 51.668 1.069 18484 9127 1 21 . 1 1 29 29 ALA CB C 29 20.585 20.585 20.292 0.293 18484 9128 1 21 . 1 1 29 29 ALA H H 29 8.182 8.182 7.856 0.326 18484 9129 1 21 . 1 1 30 30 ASN N N 30 117.863 117.863 121.470 -3.607 18484 9130 1 21 . 1 1 30 30 ASN HA H 30 4.697 4.697 4.757 -0.060 18484 9131 1 21 . 1 1 30 30 ASN CA C 30 53.107 53.107 53.008 0.098 18484 9132 1 21 . 1 1 30 30 ASN CB C 30 38.876 38.876 39.929 -1.053 18484 9133 1 21 . 1 1 30 30 ASN H H 30 8.323 8.323 8.372 -0.049 18484 9134 1 21 . 1 1 31 31 VAL N N 31 120.074 120.074 121.896 -1.822 18484 9135 1 21 . 1 1 31 31 VAL HA H 31 4.131 4.131 3.946 0.185 18484 9136 1 21 . 1 1 31 31 VAL CA C 31 60.983 60.983 62.589 -1.606 18484 9137 1 21 . 1 1 31 31 VAL CB C 31 32.827 32.827 31.828 0.999 18484 9138 1 21 . 1 1 31 31 VAL H H 31 8.041 8.041 8.115 -0.074 18484 9139 1 21 . 1 1 32 32 GLU N N 32 124.378 124.378 125.185 -0.807 18484 9140 1 21 . 1 1 32 32 GLU HA H 32 4.339 4.339 4.419 -0.080 18484 9141 1 21 . 1 1 32 32 GLU CA C 32 56.728 56.728 56.046 0.682 18484 9142 1 21 . 1 1 32 32 GLU CB C 32 30.439 30.439 28.649 1.790 18484 9143 1 21 . 1 1 32 32 GLU H H 32 8.487 8.487 8.618 -0.131 18484 9144 1 21 . 1 1 33 33 THR N N 33 116.772 116.772 115.718 1.054 18484 9145 1 21 . 1 1 33 33 THR HA H 33 4.312 4.312 4.599 -0.287 18484 9146 1 21 . 1 1 33 33 THR CA C 33 60.472 60.472 60.576 -0.104 18484 9147 1 21 . 1 1 33 33 THR CB C 33 68.412 68.412 70.147 -1.735 18484 9148 1 21 . 1 1 33 33 THR H H 33 8.224 8.224 7.765 0.459 18484 9149 1 21 . 1 1 34 34 ARG N N 34 124.955 124.955 122.102 2.853 18484 9150 1 21 . 1 1 34 34 ARG HA H 34 4.732 4.732 4.770 -0.038 18484 9151 1 21 . 1 1 34 34 ARG CA C 34 53.635 53.635 54.010 -0.374 18484 9152 1 21 . 1 1 34 34 ARG CB C 34 30.581 30.581 30.856 -0.275 18484 9153 1 21 . 1 1 34 34 ARG H H 34 8.438 8.438 8.537 -0.099 18484 9154 1 21 . 1 1 35 35 PRO HA H 35 4.667 4.667 4.459 0.208 18484 9155 1 21 . 1 1 35 35 PRO CA C 35 61.995 61.995 62.623 -0.628 18484 9156 1 21 . 1 1 35 35 PRO CB C 35 32.459 32.459 32.564 -0.105 18484 9157 1 21 . 1 1 36 36 GLU N N 36 121.398 121.398 118.777 2.621 18484 9158 1 21 . 1 1 36 36 GLU HA H 36 4.509 4.509 4.561 -0.052 18484 9159 1 21 . 1 1 36 36 GLU CA C 36 55.563 55.563 55.890 -0.327 18484 9160 1 21 . 1 1 36 36 GLU CB C 36 31.628 31.628 31.017 0.611 18484 9161 1 21 . 1 1 36 36 GLU H H 36 8.663 8.663 8.523 0.140 18484 9162 1 21 . 1 1 37 37 LEU N N 37 125.233 125.233 124.275 0.958 18484 9163 1 21 . 1 1 37 37 LEU HA H 37 5.240 5.240 4.740 0.500 18484 9164 1 21 . 1 1 37 37 LEU CA C 37 54.120 54.120 54.889 -0.769 18484 9165 1 21 . 1 1 37 37 LEU CB C 37 42.407 42.407 42.178 0.229 18484 9166 1 21 . 1 1 37 37 LEU H H 37 8.352 8.352 8.509 -0.157 18484 9167 1 21 . 1 1 38 38 ILE N N 38 121.904 121.904 122.506 -0.602 18484 9168 1 21 . 1 1 38 38 ILE HA H 38 4.775 4.775 4.883 -0.108 18484 9169 1 21 . 1 1 38 38 ILE CA C 38 58.065 58.065 59.760 -1.695 18484 9170 1 21 . 1 1 38 38 ILE CB C 38 41.790 41.790 40.541 1.249 18484 9171 1 21 . 1 1 38 38 ILE H H 38 9.224 9.224 8.938 0.286 18484 9172 1 21 . 1 1 39 39 THR N N 39 111.692 111.692 111.375 0.317 18484 9173 1 21 . 1 1 39 39 THR HA H 39 5.443 5.443 5.157 0.286 18484 9174 1 21 . 1 1 39 39 THR CA C 39 57.825 57.825 60.708 -2.883 18484 9175 1 21 . 1 1 39 39 THR CB C 39 70.337 70.337 71.280 -0.943 18484 9176 1 21 . 1 1 39 39 THR H H 39 8.077 8.077 8.259 -0.182 18484 9177 1 21 . 1 1 40 40 ARG N N 40 121.666 121.666 121.165 0.501 18484 9178 1 21 . 1 1 40 40 ARG HA H 40 4.707 4.707 4.553 0.154 18484 9179 1 21 . 1 1 40 40 ARG CA C 40 55.674 55.674 55.281 0.393 18484 9180 1 21 . 1 1 40 40 ARG CB C 40 34.932 34.932 33.059 1.873 18484 9181 1 21 . 1 1 40 40 ARG H H 40 8.558 8.558 8.993 -0.435 18484 9182 1 21 . 1 1 41 41 THR N N 41 115.335 115.335 120.076 -4.741 18484 9183 1 21 . 1 1 41 41 THR HA H 41 5.345 5.345 4.914 0.431 18484 9184 1 21 . 1 1 41 41 THR CA C 41 59.028 59.028 61.410 -2.382 18484 9185 1 21 . 1 1 41 41 THR CB C 41 70.332 70.332 69.805 0.527 18484 9186 1 21 . 1 1 41 41 THR H H 41 8.532 8.532 8.559 -0.027 18484 9187 1 21 . 1 1 42 42 GLU N N 42 122.278 122.278 127.839 -5.561 18484 9188 1 21 . 1 1 42 42 GLU HA H 42 4.705 4.705 4.520 0.185 18484 9189 1 21 . 1 1 42 42 GLU CA C 42 54.318 54.318 54.535 -0.217 18484 9190 1 21 . 1 1 42 42 GLU CB C 42 33.984 33.984 30.865 3.119 18484 9191 1 21 . 1 1 42 42 GLU H H 42 9.049 9.049 8.166 0.883 18484 9192 1 21 . 1 1 43 43 GLU N N 43 122.782 122.782 123.395 -0.613 18484 9193 1 21 . 1 1 43 43 GLU HA H 43 4.659 4.659 4.167 0.492 18484 9194 1 21 . 1 1 43 43 GLU CA C 43 56.074 56.074 56.525 -0.451 18484 9195 1 21 . 1 1 43 43 GLU CB C 43 31.559 31.559 29.269 2.290 18484 9196 1 21 . 1 1 43 43 GLU H H 43 8.722 8.722 8.647 0.075 18484 9197 1 21 . 1 1 44 44 ILE N N 44 123.255 123.255 127.514 -4.259 18484 9198 1 21 . 1 1 44 44 ILE HA H 44 4.557 4.557 4.307 0.250 18484 9199 1 21 . 1 1 44 44 ILE CA C 44 55.622 55.622 58.924 -3.302 18484 9200 1 21 . 1 1 44 44 ILE CB C 44 40.902 40.902 37.964 2.938 18484 9201 1 21 . 1 1 44 44 ILE H H 44 7.740 7.740 7.866 -0.126 18484 9202 1 21 . 1 1 45 45 PRO HA H 45 4.177 4.177 4.540 -0.363 18484 9203 1 21 . 1 1 45 45 PRO CA C 45 61.978 61.978 61.924 0.054 18484 9204 1 21 . 1 1 45 45 PRO CB C 45 32.314 32.314 32.695 -0.381 18484 9205 1 21 . 1 1 46 46 PHE N N 46 114.670 114.670 118.441 -3.771 18484 9206 1 21 . 1 1 46 46 PHE HA H 46 4.913 4.913 4.617 0.296 18484 9207 1 21 . 1 1 46 46 PHE CA C 46 54.749 54.749 56.699 -1.950 18484 9208 1 21 . 1 1 46 46 PHE CB C 46 42.057 42.057 40.097 1.960 18484 9209 1 21 . 1 1 46 46 PHE H H 46 6.912 6.912 7.763 -0.851 18484 9210 1 21 . 1 1 47 47 GLU N N 47 120.217 120.217 120.642 -0.425 18484 9211 1 21 . 1 1 47 47 GLU HA H 47 4.600 4.600 4.560 0.040 18484 9212 1 21 . 1 1 47 47 GLU CA C 47 54.771 54.771 55.974 -1.203 18484 9213 1 21 . 1 1 47 47 GLU CB C 47 32.338 32.338 31.904 0.434 18484 9214 1 21 . 1 1 47 47 GLU H H 47 8.271 8.271 8.688 -0.417 18484 9215 1 21 . 1 1 48 48 VAL N N 48 121.331 121.331 125.199 -3.868 18484 9216 1 21 . 1 1 48 48 VAL HA H 48 4.734 4.734 4.213 0.521 18484 9217 1 21 . 1 1 48 48 VAL CA C 48 61.472 61.472 62.357 -0.885 18484 9218 1 21 . 1 1 48 48 VAL CB C 48 32.699 32.699 32.396 0.303 18484 9219 1 21 . 1 1 48 48 VAL H H 48 8.625 8.625 8.473 0.152 18484 9220 1 21 . 1 1 49 49 ILE N N 49 132.310 132.310 127.635 4.675 18484 9221 1 21 . 1 1 49 49 ILE HA H 49 4.205 4.205 4.409 -0.204 18484 9222 1 21 . 1 1 49 49 ILE CA C 49 58.886 58.886 59.810 -0.924 18484 9223 1 21 . 1 1 49 49 ILE CB C 49 39.037 39.037 40.466 -1.429 18484 9224 1 21 . 1 1 49 49 ILE H H 49 9.505 9.505 8.036 1.469 18484 9225 1 21 . 1 1 50 50 LYS N N 50 125.764 125.764 122.681 3.083 18484 9226 1 21 . 1 1 50 50 LYS HA H 50 5.284 5.284 4.547 0.737 18484 9227 1 21 . 1 1 50 50 LYS CA C 50 54.802 54.802 55.384 -0.582 18484 9228 1 21 . 1 1 50 50 LYS CB C 50 34.186 34.186 32.470 1.716 18484 9229 1 21 . 1 1 50 50 LYS H H 50 8.507 8.507 8.397 0.110 18484 9230 1 21 . 1 1 51 51 LYS N N 51 124.935 124.935 125.366 -0.431 18484 9231 1 21 . 1 1 51 51 LYS HA H 51 4.608 4.608 4.520 0.088 18484 9232 1 21 . 1 1 51 51 LYS CA C 51 54.006 54.006 55.112 -1.106 18484 9233 1 21 . 1 1 51 51 LYS CB C 51 34.756 34.756 35.442 -0.686 18484 9234 1 21 . 1 1 51 51 LYS H H 51 9.066 9.066 8.190 0.876 18484 9235 1 21 . 1 1 52 52 GLU N N 52 124.186 124.186 121.994 2.192 18484 9236 1 21 . 1 1 52 52 GLU HA H 52 4.621 4.621 5.115 -0.494 18484 9237 1 21 . 1 1 52 52 GLU CA C 52 55.931 55.931 55.193 0.738 18484 9238 1 21 . 1 1 52 52 GLU CB C 52 31.036 31.036 31.972 -0.936 18484 9239 1 21 . 1 1 52 52 GLU H H 52 8.777 8.777 8.521 0.256 18484 9240 1 21 . 1 1 53 53 ASN N N 53 121.687 121.687 121.029 0.658 18484 9241 1 21 . 1 1 53 53 ASN HA H 53 5.240 5.240 5.199 0.041 18484 9242 1 21 . 1 1 53 53 ASN CA C 53 49.409 49.409 49.958 -0.549 18484 9243 1 21 . 1 1 53 53 ASN CB C 53 40.473 40.473 41.366 -0.893 18484 9244 1 21 . 1 1 53 53 ASN H H 53 8.890 8.890 9.048 -0.158 18484 9245 1 21 . 1 1 54 54 PRO HA H 54 4.587 4.587 4.473 0.114 18484 9246 1 21 . 1 1 54 54 PRO CA C 54 62.650 62.650 64.286 -1.636 18484 9247 1 21 . 1 1 54 54 PRO CB C 54 32.219 32.219 32.458 -0.239 18484 9248 1 21 . 1 1 55 55 ASN N N 55 115.629 115.629 116.894 -1.265 18484 9249 1 21 . 1 1 55 55 ASN HA H 55 4.695 4.695 4.519 0.176 18484 9250 1 21 . 1 1 55 55 ASN CA C 55 53.685 53.685 54.801 -1.116 18484 9251 1 21 . 1 1 55 55 ASN CB C 55 39.137 39.137 39.135 0.002 18484 9252 1 21 . 1 1 55 55 ASN H H 55 8.422 8.422 8.999 -0.577 18484 9253 1 21 . 1 1 56 56 LEU N N 56 121.277 121.277 118.576 2.701 18484 9254 1 21 . 1 1 56 56 LEU HA H 56 4.686 4.686 4.612 0.074 18484 9255 1 21 . 1 1 56 56 LEU CA C 56 52.145 52.145 52.526 -0.381 18484 9256 1 21 . 1 1 56 56 LEU CB C 56 42.456 42.456 41.430 1.026 18484 9257 1 21 . 1 1 56 56 LEU H H 56 7.278 7.278 7.379 -0.101 18484 9258 1 21 . 1 1 57 57 PRO HA H 57 4.298 4.298 4.469 -0.171 18484 9259 1 21 . 1 1 57 57 PRO CA C 57 61.332 61.332 62.010 -0.678 18484 9260 1 21 . 1 1 57 57 PRO CB C 57 32.232 32.232 29.868 2.364 18484 9261 1 21 . 1 1 58 58 ALA N N 58 123.896 123.896 119.977 3.919 18484 9262 1 21 . 1 1 58 58 ALA HA H 58 3.892 3.892 4.014 -0.122 18484 9263 1 21 . 1 1 58 58 ALA CA C 58 53.559 53.559 52.633 0.926 18484 9264 1 21 . 1 1 58 58 ALA CB C 58 19.480 19.480 18.710 0.770 18484 9265 1 21 . 1 1 58 58 ALA H H 58 8.263 8.263 7.460 0.803 18484 9266 1 21 . 1 1 59 59 GLY N N 59 110.843 110.843 110.247 0.596 18484 9267 1 21 . 1 1 59 59 GLY CA C 59 45.339 45.339 45.668 -0.329 18484 9268 1 21 . 1 1 59 59 GLY H H 59 8.755 8.755 8.465 0.290 18484 9269 1 21 . 1 1 60 60 GLN N N 60 121.444 121.444 118.542 2.902 18484 9270 1 21 . 1 1 60 60 GLN HA H 60 4.251 4.251 4.506 -0.255 18484 9271 1 21 . 1 1 60 60 GLN CA C 60 56.080 56.080 54.980 1.100 18484 9272 1 21 . 1 1 60 60 GLN CB C 60 29.876 29.876 31.359 -1.483 18484 9273 1 21 . 1 1 60 60 GLN H H 60 7.877 7.877 8.162 -0.285 18484 9274 1 21 . 1 1 61 61 GLU N N 61 123.364 123.364 123.149 0.215 18484 9275 1 21 . 1 1 61 61 GLU HA H 61 5.241 5.241 4.835 0.406 18484 9276 1 21 . 1 1 61 61 GLU CA C 61 55.012 55.012 55.355 -0.342 18484 9277 1 21 . 1 1 61 61 GLU CB C 61 32.368 32.368 31.155 1.213 18484 9278 1 21 . 1 1 61 61 GLU H H 61 8.419 8.419 8.588 -0.169 18484 9279 1 21 . 1 1 62 62 ASN N N 62 121.499 121.499 124.279 -2.780 18484 9280 1 21 . 1 1 62 62 ASN HA H 62 5.078 5.078 4.975 0.103 18484 9281 1 21 . 1 1 62 62 ASN CA C 62 51.617 51.617 52.408 -0.791 18484 9282 1 21 . 1 1 62 62 ASN CB C 62 40.999 40.999 40.855 0.144 18484 9283 1 21 . 1 1 62 62 ASN H H 62 9.164 9.164 8.238 0.926 18484 9284 1 21 . 1 1 63 63 ILE N N 63 125.976 125.976 126.004 -0.028 18484 9285 1 21 . 1 1 63 63 ILE HA H 63 3.979 3.979 4.409 -0.430 18484 9286 1 21 . 1 1 63 63 ILE CA C 63 61.650 61.650 59.590 2.060 18484 9287 1 21 . 1 1 63 63 ILE CB C 63 37.404 37.404 36.444 0.959 18484 9288 1 21 . 1 1 63 63 ILE H H 63 9.032 9.032 8.696 0.336 18484 9289 1 21 . 1 1 64 64 ILE N N 64 130.073 130.073 128.237 1.836 18484 9290 1 21 . 1 1 64 64 ILE HA H 64 4.139 4.139 3.898 0.241 18484 9291 1 21 . 1 1 64 64 ILE CA C 64 60.699 60.699 63.390 -2.691 18484 9292 1 21 . 1 1 64 64 ILE CB C 64 38.029 38.029 38.487 -0.458 18484 9293 1 21 . 1 1 64 64 ILE H H 64 8.876 8.876 8.932 -0.056 18484 9294 1 21 . 1 1 65 65 THR N N 65 116.771 116.771 112.750 4.021 18484 9295 1 21 . 1 1 65 65 THR HA H 65 4.349 4.349 4.403 -0.054 18484 9296 1 21 . 1 1 65 65 THR CA C 65 60.066 60.066 62.056 -1.990 18484 9297 1 21 . 1 1 65 65 THR CB C 65 71.059 71.059 70.420 0.639 18484 9298 1 21 . 1 1 65 65 THR H H 65 7.699 7.699 7.360 0.339 18484 9299 1 21 . 1 1 66 66 ALA N N 66 130.117 130.117 130.606 -0.489 18484 9300 1 21 . 1 1 66 66 ALA HA H 66 3.928 3.928 4.314 -0.386 18484 9301 1 21 . 1 1 66 66 ALA CA C 66 51.617 51.617 51.850 -0.233 18484 9302 1 21 . 1 1 66 66 ALA CB C 66 19.653 19.653 19.006 0.646 18484 9303 1 21 . 1 1 66 66 ALA H H 66 8.579 8.579 8.398 0.181 18484 9304 1 21 . 1 1 67 67 GLY N N 67 107.619 107.619 111.356 -3.737 18484 9305 1 21 . 1 1 67 67 GLY CA C 67 43.606 43.606 44.239 -0.633 18484 9306 1 21 . 1 1 67 67 GLY H H 67 8.387 8.387 7.810 0.577 18484 9307 1 21 . 1 1 68 68 VAL N N 68 123.776 123.776 123.487 0.289 18484 9308 1 21 . 1 1 68 68 VAL HA H 68 4.124 4.124 4.306 -0.182 18484 9309 1 21 . 1 1 68 68 VAL CA C 68 60.443 60.443 60.141 0.302 18484 9310 1 21 . 1 1 68 68 VAL CB C 68 34.972 34.972 35.299 -0.327 18484 9311 1 21 . 1 1 68 68 VAL H H 68 8.966 8.966 8.153 0.813 18484 9312 1 21 . 1 1 69 69 LYS N N 69 125.803 125.803 127.646 -1.843 18484 9313 1 21 . 1 1 69 69 LYS HA H 69 4.448 4.448 4.301 0.147 18484 9314 1 21 . 1 1 69 69 LYS CA C 69 57.012 57.012 57.578 -0.566 18484 9315 1 21 . 1 1 69 69 LYS CB C 69 33.410 33.410 31.624 1.786 18484 9316 1 21 . 1 1 69 69 LYS H H 69 8.799 8.799 8.955 -0.156 18484 9317 1 21 . 1 1 70 70 GLY N N 70 108.188 108.188 112.068 -3.880 18484 9318 1 21 . 1 1 70 70 GLY CA C 70 43.549 43.549 44.312 -0.763 18484 9319 1 21 . 1 1 70 70 GLY H H 70 8.858 8.858 8.124 0.734 18484 9320 1 21 . 1 1 71 71 GLU N N 71 123.030 123.030 118.959 4.071 18484 9321 1 21 . 1 1 71 71 GLU HA H 71 5.059 5.059 4.601 0.458 18484 9322 1 21 . 1 1 71 71 GLU CA C 71 56.146 56.146 55.755 0.391 18484 9323 1 21 . 1 1 71 71 GLU CB C 71 36.142 36.142 33.992 2.150 18484 9324 1 21 . 1 1 71 71 GLU H H 71 9.538 9.538 8.511 1.027 18484 9325 1 21 . 1 1 72 72 ARG N N 72 126.426 126.426 123.534 2.892 18484 9326 1 21 . 1 1 72 72 ARG HA H 72 5.059 5.059 4.864 0.195 18484 9327 1 21 . 1 1 72 72 ARG CA C 72 54.001 54.001 54.925 -0.924 18484 9328 1 21 . 1 1 72 72 ARG CB C 72 33.500 33.500 33.576 -0.076 18484 9329 1 21 . 1 1 72 72 ARG H H 72 9.191 9.191 8.416 0.775 18484 9330 1 21 . 1 1 73 73 THR N N 73 120.983 120.983 125.628 -4.645 18484 9331 1 21 . 1 1 73 73 THR HA H 73 4.522 4.522 4.482 0.040 18484 9332 1 21 . 1 1 73 73 THR CA C 73 60.953 60.953 64.105 -3.152 18484 9333 1 21 . 1 1 73 73 THR CB C 73 68.412 68.412 69.421 -1.009 18484 9334 1 21 . 1 1 73 73 THR H H 73 9.249 9.249 8.652 0.597 18484 9335 1 21 . 1 1 74 74 HIS N N 74 125.685 125.685 126.773 -1.088 18484 9336 1 21 . 1 1 74 74 HIS HA H 74 5.153 5.153 4.500 0.653 18484 9337 1 21 . 1 1 74 74 HIS CA C 74 54.487 54.487 54.952 -0.465 18484 9338 1 21 . 1 1 74 74 HIS CB C 74 32.997 32.997 30.970 2.027 18484 9339 1 21 . 1 1 74 74 HIS H H 74 9.056 9.056 8.435 0.621 18484 9340 1 21 . 1 1 75 75 TYR N N 75 123.688 123.688 125.250 -1.562 18484 9341 1 21 . 1 1 75 75 TYR HA H 75 4.868 4.868 4.950 -0.082 18484 9342 1 21 . 1 1 75 75 TYR CA C 75 56.499 56.499 54.855 1.645 18484 9343 1 21 . 1 1 75 75 TYR CB C 75 38.425 38.425 36.891 1.534 18484 9344 1 21 . 1 1 75 75 TYR H H 75 8.945 8.945 7.537 1.408 18484 9345 1 21 . 1 1 76 76 ILE N N 76 125.717 125.717 124.055 1.662 18484 9346 1 21 . 1 1 76 76 ILE HA H 76 4.800 4.800 4.337 0.463 18484 9347 1 21 . 1 1 76 76 ILE CA C 76 58.787 58.787 59.689 -0.902 18484 9348 1 21 . 1 1 76 76 ILE CB C 76 42.034 42.034 40.549 1.485 18484 9349 1 21 . 1 1 76 76 ILE H H 76 9.079 9.079 8.331 0.748 18484 9350 1 21 . 1 1 77 77 SER N N 77 120.473 120.473 117.404 3.069 18484 9351 1 21 . 1 1 77 77 SER HA H 77 5.183 5.183 4.927 0.256 18484 9352 1 21 . 1 1 77 77 SER CA C 77 55.930 55.930 57.082 -1.152 18484 9353 1 21 . 1 1 77 77 SER CB C 77 63.118 63.118 64.454 -1.336 18484 9354 1 21 . 1 1 77 77 SER H H 77 9.047 9.047 8.528 0.519 18484 9355 1 21 . 1 1 78 78 VAL N N 78 128.488 128.488 126.988 1.500 18484 9356 1 21 . 1 1 78 78 VAL HA H 78 4.729 4.729 4.098 0.631 18484 9357 1 21 . 1 1 78 78 VAL CA C 78 60.517 60.517 61.815 -1.298 18484 9358 1 21 . 1 1 78 78 VAL CB C 78 33.685 33.685 32.228 1.457 18484 9359 1 21 . 1 1 78 78 VAL H H 78 9.301 9.301 7.997 1.304 18484 9360 1 21 . 1 1 79 79 LEU N N 79 129.698 129.698 131.103 -1.405 18484 9361 1 21 . 1 1 79 79 LEU HA H 79 4.783 4.783 4.736 0.047 18484 9362 1 21 . 1 1 79 79 LEU CA C 79 53.873 53.873 53.665 0.208 18484 9363 1 21 . 1 1 79 79 LEU CB C 79 45.605 45.605 42.788 2.817 18484 9364 1 21 . 1 1 79 79 LEU H H 79 8.553 8.553 8.238 0.315 18484 9365 1 21 . 1 1 80 80 THR N N 80 123.276 123.276 122.750 0.526 18484 9366 1 21 . 1 1 80 80 THR HA H 80 5.096 5.096 4.522 0.574 18484 9367 1 21 . 1 1 80 80 THR CA C 80 60.231 60.231 63.049 -2.818 18484 9368 1 21 . 1 1 80 80 THR CB C 80 68.171 68.171 69.090 -0.919 18484 9369 1 21 . 1 1 80 80 THR H H 80 8.754 8.754 8.426 0.328 18484 9370 1 21 . 1 1 81 81 GLU N N 81 125.405 125.405 128.160 -2.755 18484 9371 1 21 . 1 1 81 81 GLU HA H 81 4.530 4.530 4.444 0.086 18484 9372 1 21 . 1 1 81 81 GLU CA C 81 55.372 55.372 55.825 -0.453 18484 9373 1 21 . 1 1 81 81 GLU CB C 81 32.374 32.374 30.891 1.483 18484 9374 1 21 . 1 1 81 81 GLU H H 81 8.615 8.615 8.230 0.385 18484 9375 1 21 . 1 1 82 82 ASN N N 82 124.375 124.375 123.252 1.123 18484 9376 1 21 . 1 1 82 82 ASN HA H 82 4.360 4.360 4.487 -0.127 18484 9377 1 21 . 1 1 82 82 ASN CA C 82 54.328 54.328 53.634 0.694 18484 9378 1 21 . 1 1 82 82 ASN CB C 82 37.432 37.432 37.879 -0.447 18484 9379 1 21 . 1 1 82 82 ASN H H 82 9.559 9.559 8.983 0.576 18484 9380 1 21 . 1 1 83 83 GLY N N 83 103.733 103.733 104.042 -0.309 18484 9381 1 21 . 1 1 83 83 GLY CA C 83 45.359 45.359 44.809 0.550 18484 9382 1 21 . 1 1 83 83 GLY H H 83 8.626 8.626 8.081 0.545 18484 9383 1 21 . 1 1 84 84 LYS N N 84 121.407 121.407 120.049 1.358 18484 9384 1 21 . 1 1 84 84 LYS HA H 84 4.698 4.698 4.560 0.138 18484 9385 1 21 . 1 1 84 84 LYS CA C 84 55.182 55.182 55.315 -0.133 18484 9386 1 21 . 1 1 84 84 LYS CB C 84 34.807 34.807 34.647 0.160 18484 9387 1 21 . 1 1 84 84 LYS H H 84 7.813 7.813 7.902 -0.089 18484 9388 1 21 . 1 1 85 85 THR N N 85 121.799 121.799 123.606 -1.807 18484 9389 1 21 . 1 1 85 85 THR HA H 85 5.194 5.194 4.433 0.761 18484 9390 1 21 . 1 1 85 85 THR CA C 85 60.472 60.472 62.730 -2.259 18484 9391 1 21 . 1 1 85 85 THR CB C 85 69.134 69.134 68.997 0.137 18484 9392 1 21 . 1 1 85 85 THR H H 85 8.796 8.796 8.414 0.382 18484 9393 1 21 . 1 1 86 86 THR N N 86 122.071 122.071 122.218 -0.147 18484 9394 1 21 . 1 1 86 86 THR HA H 86 4.535 4.535 4.494 0.041 18484 9395 1 21 . 1 1 86 86 THR CA C 86 59.990 59.990 61.409 -1.419 18484 9396 1 21 . 1 1 86 86 THR CB C 86 69.856 69.856 69.974 -0.118 18484 9397 1 21 . 1 1 86 86 THR H H 86 9.134 9.134 8.012 1.122 18484 9398 1 21 . 1 1 87 87 GLU N N 87 126.429 126.429 124.794 1.635 18484 9399 1 21 . 1 1 87 87 GLU HA H 87 5.030 5.030 4.674 0.356 18484 9400 1 21 . 1 1 87 87 GLU CA C 87 55.029 55.029 54.852 0.177 18484 9401 1 21 . 1 1 87 87 GLU CB C 87 31.746 31.746 29.578 2.168 18484 9402 1 21 . 1 1 87 87 GLU H H 87 8.905 8.905 8.632 0.273 18484 9403 1 21 . 1 1 88 88 THR N N 88 120.353 120.353 119.720 0.633 18484 9404 1 21 . 1 1 88 88 THR HA H 88 4.450 4.450 4.574 -0.124 18484 9405 1 21 . 1 1 88 88 THR CA C 88 60.472 60.472 61.415 -0.943 18484 9406 1 21 . 1 1 88 88 THR CB C 88 70.646 70.646 70.838 -0.192 18484 9407 1 21 . 1 1 88 88 THR H H 88 9.016 9.016 8.260 0.756 18484 9408 1 21 . 1 1 89 89 VAL N N 89 128.484 128.484 123.834 4.650 18484 9409 1 21 . 1 1 89 89 VAL HA H 89 3.978 3.978 3.847 0.131 18484 9410 1 21 . 1 1 89 89 VAL CA C 89 62.471 62.471 63.671 -1.200 18484 9411 1 21 . 1 1 89 89 VAL CB C 89 31.216 31.216 32.074 -0.858 18484 9412 1 21 . 1 1 89 89 VAL H H 89 9.054 9.054 8.696 0.358 18484 9413 1 21 . 1 1 90 90 LEU N N 90 130.587 130.587 124.917 5.670 18484 9414 1 21 . 1 1 90 90 LEU HA H 90 4.325 4.325 4.658 -0.333 18484 9415 1 21 . 1 1 90 90 LEU CA C 90 56.129 56.129 55.139 0.990 18484 9416 1 21 . 1 1 90 90 LEU CB C 90 42.958 42.958 43.686 -0.728 18484 9417 1 21 . 1 1 90 90 LEU H H 90 9.426 9.426 8.363 1.063 18484 9418 1 21 . 1 1 91 91 ASP N N 91 114.928 114.928 117.127 -2.199 18484 9419 1 21 . 1 1 91 91 ASP HA H 91 4.846 4.846 4.682 0.164 18484 9420 1 21 . 1 1 91 91 ASP CA C 91 53.688 53.688 54.635 -0.947 18484 9421 1 21 . 1 1 91 91 ASP CB C 91 43.521 43.521 43.742 -0.221 18484 9422 1 21 . 1 1 91 91 ASP H H 91 7.924 7.924 7.808 0.116 18484 9423 1 21 . 1 1 92 92 SER N N 92 117.203 117.203 117.189 0.014 18484 9424 1 21 . 1 1 92 92 SER HA H 92 5.519 5.519 2.792 2.727 18484 9425 1 21 . 1 1 92 92 SER CA C 92 56.622 56.622 56.397 0.225 18484 9426 1 21 . 1 1 92 92 SER CB C 92 63.359 63.359 65.326 -1.968 18484 9427 1 21 . 1 1 92 92 SER H H 92 8.376 8.376 8.009 0.367 18484 9428 1 21 . 1 1 93 93 GLN N N 93 122.058 122.058 120.698 1.360 18484 9429 1 21 . 1 1 93 93 GLN HA H 93 4.731 4.731 4.457 0.274 18484 9430 1 21 . 1 1 93 93 GLN CA C 93 54.781 54.781 54.538 0.243 18484 9431 1 21 . 1 1 93 93 GLN CB C 93 33.312 33.312 31.007 2.305 18484 9432 1 21 . 1 1 93 93 GLN H H 93 9.005 9.005 7.739 1.266 18484 9433 1 21 . 1 1 94 94 VAL N N 94 125.231 125.231 120.277 4.954 18484 9434 1 21 . 1 1 94 94 VAL HA H 94 4.233 4.233 4.104 0.129 18484 9435 1 21 . 1 1 94 94 VAL CA C 94 63.282 63.282 62.555 0.727 18484 9436 1 21 . 1 1 94 94 VAL CB C 94 30.906 30.906 32.086 -1.180 18484 9437 1 21 . 1 1 94 94 VAL H H 94 9.085 9.085 8.559 0.526 18484 9438 1 21 . 1 1 95 95 THR N N 95 121.170 121.170 121.849 -0.679 18484 9439 1 21 . 1 1 95 95 THR HA H 95 4.384 4.384 4.466 -0.082 18484 9440 1 21 . 1 1 95 95 THR CA C 95 60.953 60.953 61.011 -0.058 18484 9441 1 21 . 1 1 95 95 THR CB C 95 68.653 68.653 68.409 0.244 18484 9442 1 21 . 1 1 95 95 THR H H 95 8.521 8.521 8.345 0.176 18484 9443 1 21 . 1 1 96 96 LYS N N 96 123.236 123.236 122.914 0.322 18484 9444 1 21 . 1 1 96 96 LYS HA H 96 4.418 4.418 4.055 0.363 18484 9445 1 21 . 1 1 96 96 LYS CA C 96 56.418 56.418 56.834 -0.416 18484 9446 1 21 . 1 1 96 96 LYS CB C 96 35.690 35.690 31.970 3.720 18484 9447 1 21 . 1 1 96 96 LYS H H 96 7.912 7.912 8.454 -0.542 18484 9448 1 21 . 1 1 97 97 GLU N N 97 125.835 125.835 119.628 6.207 18484 9449 1 21 . 1 1 97 97 GLU HA H 97 4.151 4.151 4.055 0.096 18484 9450 1 21 . 1 1 97 97 GLU CA C 97 56.412 56.412 57.175 -0.763 18484 9451 1 21 . 1 1 97 97 GLU CB C 97 29.948 29.948 30.220 -0.272 18484 9452 1 21 . 1 1 97 97 GLU H H 97 8.665 8.665 8.281 0.384 18484 9453 1 21 . 1 1 98 98 VAL N N 98 122.204 122.204 125.024 -2.820 18484 9454 1 21 . 1 1 98 98 VAL HA H 98 3.915 3.915 4.241 -0.326 18484 9455 1 21 . 1 1 98 98 VAL CA C 98 60.208 60.208 63.073 -2.865 18484 9456 1 21 . 1 1 98 98 VAL CB C 98 33.692 33.692 32.715 0.977 18484 9457 1 21 . 1 1 98 98 VAL H H 98 8.339 8.339 8.170 0.169 18484 9458 1 21 . 1 1 99 99 ILE N N 99 127.874 127.874 130.628 -2.754 18484 9459 1 21 . 1 1 99 99 ILE HA H 99 4.197 4.197 3.978 0.219 18484 9460 1 21 . 1 1 99 99 ILE CA C 99 60.606 60.606 60.978 -0.372 18484 9461 1 21 . 1 1 99 99 ILE CB C 99 39.186 39.186 37.596 1.590 18484 9462 1 21 . 1 1 99 99 ILE H H 99 8.608 8.608 8.317 0.291 18484 9463 1 21 . 1 1 100 100 ASN N N 100 123.343 123.343 127.017 -3.674 18484 9464 1 21 . 1 1 100 100 ASN HA H 100 4.914 4.914 4.642 0.272 18484 9465 1 21 . 1 1 100 100 ASN CA C 100 53.704 53.704 53.788 -0.084 18484 9466 1 21 . 1 1 100 100 ASN CB C 100 37.731 37.731 39.250 -1.519 18484 9467 1 21 . 1 1 100 100 ASN H H 100 8.446 8.446 8.330 0.116 18484 9468 1 21 . 1 1 101 101 GLN N N 101 120.980 120.980 121.114 -0.134 18484 9469 1 21 . 1 1 101 101 GLN HA H 101 4.325 4.325 4.390 -0.065 18484 9470 1 21 . 1 1 101 101 GLN CA C 101 54.659 54.659 56.468 -1.809 18484 9471 1 21 . 1 1 101 101 GLN CB C 101 31.616 31.616 29.749 1.867 18484 9472 1 21 . 1 1 101 101 GLN H H 101 8.254 8.254 8.371 -0.117 18484 9473 1 21 . 1 1 102 102 VAL N N 102 127.057 127.057 125.408 1.649 18484 9474 1 21 . 1 1 102 102 VAL HA H 102 4.965 4.965 4.271 0.694 18484 9475 1 21 . 1 1 102 102 VAL CA C 102 60.264 60.264 61.653 -1.389 18484 9476 1 21 . 1 1 102 102 VAL CB C 102 33.626 33.626 33.067 0.559 18484 9477 1 21 . 1 1 102 102 VAL H H 102 8.742 8.742 8.765 -0.023 18484 9478 1 21 . 1 1 103 103 VAL N N 103 127.794 127.794 126.950 0.844 18484 9479 1 21 . 1 1 103 103 VAL HA H 103 4.812 4.812 5.024 -0.212 18484 9480 1 21 . 1 1 103 103 VAL CA C 103 58.547 58.547 60.370 -1.823 18484 9481 1 21 . 1 1 103 103 VAL CB C 103 35.718 35.718 34.473 1.245 18484 9482 1 21 . 1 1 103 103 VAL H H 103 9.160 9.160 8.079 1.081 18484 9483 1 21 . 1 1 104 104 GLU N N 104 125.160 125.160 126.145 -0.985 18484 9484 1 21 . 1 1 104 104 GLU HA H 104 5.513 5.513 5.019 0.494 18484 9485 1 21 . 1 1 104 104 GLU CA C 104 53.721 53.721 54.320 -0.599 18484 9486 1 21 . 1 1 104 104 GLU CB C 104 32.383 32.383 33.054 -0.671 18484 9487 1 21 . 1 1 104 104 GLU H H 104 9.085 9.085 8.395 0.690 18484 9488 1 21 . 1 1 105 105 VAL N N 105 117.602 117.602 119.796 -2.194 18484 9489 1 21 . 1 1 105 105 VAL HA H 105 5.241 5.241 4.933 0.308 18484 9490 1 21 . 1 1 105 105 VAL CA C 105 57.055 57.055 59.126 -2.071 18484 9491 1 21 . 1 1 105 105 VAL CB C 105 35.204 35.204 34.326 0.878 18484 9492 1 21 . 1 1 105 105 VAL H H 105 8.536 8.536 8.853 -0.317 18484 9493 1 21 . 1 1 106 106 GLY N N 106 111.023 111.023 112.985 -1.962 18484 9494 1 21 . 1 1 106 106 GLY CA C 106 46.117 46.117 45.750 0.367 18484 9495 1 21 . 1 1 106 106 GLY H H 106 8.635 8.635 8.255 0.380 18484 9496 1 21 . 1 1 107 107 ALA N N 107 127.369 127.369 127.295 0.074 18484 9497 1 21 . 1 1 107 107 ALA HA H 107 4.515 4.515 4.071 0.444 18484 9498 1 21 . 1 1 107 107 ALA CA C 107 50.477 50.477 51.895 -1.418 18484 9499 1 21 . 1 1 107 107 ALA CB C 107 19.924 19.924 17.518 2.406 18484 9500 1 21 . 1 1 107 107 ALA H H 107 7.929 7.929 7.978 -0.049 18484 9501 1 21 . 1 1 108 108 PRO HA H 108 4.494 4.494 4.510 -0.016 18484 9502 1 21 . 1 1 108 108 PRO CA C 108 61.698 61.698 62.787 -1.089 18484 9503 1 21 . 1 1 108 108 PRO CB C 108 31.900 31.900 32.177 -0.277 18484 9504 1 21 . 1 1 109 109 VAL N N 109 119.821 119.821 111.850 7.971 18484 9505 1 21 . 1 1 109 109 VAL HA H 109 4.092 4.092 4.588 -0.496 18484 9506 1 21 . 1 1 109 109 VAL CA C 109 60.949 60.949 62.888 -1.939 18484 9507 1 21 . 1 1 109 109 VAL CB C 109 32.389 32.389 31.318 1.071 18484 9508 1 21 . 1 1 109 109 VAL H H 109 8.303 8.303 8.082 0.221 18484 9509 1 21 . 1 1 110 110 THR N N 110 118.171 118.171 111.231 6.940 18484 9510 1 21 . 1 1 110 110 THR HA H 110 4.338 4.338 4.433 -0.095 18484 9511 1 21 . 1 1 110 110 THR CA C 110 59.028 59.028 62.631 -3.603 18484 9512 1 21 . 1 1 110 110 THR CB C 110 67.676 67.676 68.946 -1.270 18484 9513 1 21 . 1 1 110 110 THR H H 110 8.209 8.209 8.095 0.114 18484 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 90 3.374 -0.812 3.293 18484 2 1 1 "Average Difference" HA 101 0.413 -0.077 0.408 18484 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18484 4 1 1 "Average Difference" CA 95 1.368 0.628 1.221 18484 5 1 1 "Average Difference" CB 89 1.388 -0.541 1.286 18484 6 1 1 "Average Difference" HN 90 0.528 -0.253 0.467 18484 7 1 2 "Average Difference" N 90 3.484 -0.183 3.498 18484 8 1 2 "Average Difference" HA 101 0.468 -0.164 0.440 18484 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18484 10 1 2 "Average Difference" CA 95 1.622 0.914 1.348 18484 11 1 2 "Average Difference" CB 89 1.672 -0.903 1.415 18484 12 1 2 "Average Difference" HN 90 0.526 -0.221 0.481 18484 13 1 3 "Average Difference" N 90 3.195 -0.633 3.150 18484 14 1 3 "Average Difference" HA 101 0.465 -0.113 0.454 18484 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18484 16 1 3 "Average Difference" CA 95 1.426 0.697 1.251 18484 17 1 3 "Average Difference" CB 89 1.380 -0.463 1.307 18484 18 1 3 "Average Difference" HN 90 0.521 -0.287 0.437 18484 19 1 4 "Average Difference" N 90 2.838 -0.236 2.844 18484 20 1 4 "Average Difference" HA 101 0.461 -0.103 0.451 18484 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18484 22 1 4 "Average Difference" CA 95 1.271 0.534 1.160 18484 23 1 4 "Average Difference" CB 89 1.374 -0.455 1.304 18484 24 1 4 "Average Difference" HN 90 0.535 -0.275 0.461 18484 25 1 5 "Average Difference" N 90 2.934 -0.493 2.908 18484 26 1 5 "Average Difference" HA 101 0.487 -0.089 0.481 18484 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18484 28 1 5 "Average Difference" CA 95 1.402 0.587 1.280 18484 29 1 5 "Average Difference" CB 89 1.386 -0.345 1.350 18484 30 1 5 "Average Difference" HN 90 0.542 -0.304 0.451 18484 31 1 6 "Average Difference" N 90 2.841 -0.487 2.814 18484 32 1 6 "Average Difference" HA 101 0.424 -0.085 0.417 18484 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18484 34 1 6 "Average Difference" CA 95 1.243 0.594 1.098 18484 35 1 6 "Average Difference" CB 89 1.328 -0.414 1.269 18484 36 1 6 "Average Difference" HN 90 0.533 -0.287 0.451 18484 37 1 7 "Average Difference" N 90 2.878 -0.100 2.892 18484 38 1 7 "Average Difference" HA 101 0.456 -0.083 0.451 18484 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18484 40 1 7 "Average Difference" CA 95 1.459 0.616 1.330 18484 41 1 7 "Average Difference" CB 89 1.384 -0.462 1.312 18484 42 1 7 "Average Difference" HN 90 0.515 -0.244 0.456 18484 43 1 8 "Average Difference" N 90 2.869 -0.120 2.882 18484 44 1 8 "Average Difference" HA 101 0.438 -0.100 0.428 18484 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18484 46 1 8 "Average Difference" CA 95 1.329 0.650 1.165 18484 47 1 8 "Average Difference" CB 89 1.390 -0.592 1.264 18484 48 1 8 "Average Difference" HN 90 0.558 -0.261 0.496 18484 49 1 9 "Average Difference" N 90 3.069 -0.289 3.072 18484 50 1 9 "Average Difference" HA 101 0.444 -0.098 0.436 18484 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18484 52 1 9 "Average Difference" CA 95 1.346 0.637 1.192 18484 53 1 9 "Average Difference" CB 89 1.426 -0.435 1.366 18484 54 1 9 "Average Difference" HN 90 0.537 -0.252 0.476 18484 55 1 10 "Average Difference" N 90 2.809 -0.378 2.800 18484 56 1 10 "Average Difference" HA 101 0.439 -0.129 0.422 18484 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18484 58 1 10 "Average Difference" CA 95 1.426 0.810 1.180 18484 59 1 10 "Average Difference" CB 89 1.391 -0.477 1.314 18484 60 1 10 "Average Difference" HN 90 0.541 -0.291 0.459 18484 61 1 11 "Average Difference" N 90 2.998 -0.726 2.925 18484 62 1 11 "Average Difference" HA 101 0.433 -0.102 0.422 18484 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18484 64 1 11 "Average Difference" CA 95 1.421 0.652 1.270 18484 65 1 11 "Average Difference" CB 89 1.468 -0.560 1.364 18484 66 1 11 "Average Difference" HN 90 0.554 -0.262 0.490 18484 67 1 12 "Average Difference" N 90 3.156 -0.332 3.156 18484 68 1 12 "Average Difference" HA 101 0.449 -0.091 0.442 18484 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18484 70 1 12 "Average Difference" CA 95 1.357 0.615 1.216 18484 71 1 12 "Average Difference" CB 89 1.454 -0.548 1.354 18484 72 1 12 "Average Difference" HN 90 0.569 -0.277 0.500 18484 73 1 13 "Average Difference" N 90 2.905 -0.494 2.879 18484 74 1 13 "Average Difference" HA 101 0.473 -0.094 0.466 18484 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18484 76 1 13 "Average Difference" CA 95 1.354 0.654 1.192 18484 77 1 13 "Average Difference" CB 89 1.415 -0.434 1.355 18484 78 1 13 "Average Difference" HN 90 0.530 -0.251 0.469 18484 79 1 14 "Average Difference" N 90 2.791 -0.433 2.772 18484 80 1 14 "Average Difference" HA 101 0.411 -0.097 0.402 18484 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18484 82 1 14 "Average Difference" CA 95 1.267 0.568 1.139 18484 83 1 14 "Average Difference" CB 89 1.384 -0.414 1.328 18484 84 1 14 "Average Difference" HN 90 0.539 -0.276 0.465 18484 85 1 15 "Average Difference" N 90 2.829 -0.607 2.779 18484 86 1 15 "Average Difference" HA 101 0.444 -0.086 0.438 18484 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18484 88 1 15 "Average Difference" CA 95 1.303 0.577 1.175 18484 89 1 15 "Average Difference" CB 89 1.460 -0.379 1.418 18484 90 1 15 "Average Difference" HN 90 0.524 -0.236 0.471 18484 91 1 16 "Average Difference" N 90 2.594 -0.765 2.493 18484 92 1 16 "Average Difference" HA 101 0.373 -0.081 0.366 18484 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18484 94 1 16 "Average Difference" CA 95 1.366 0.605 1.231 18484 95 1 16 "Average Difference" CB 89 1.369 -0.391 1.320 18484 96 1 16 "Average Difference" HN 90 0.545 -0.260 0.481 18484 97 1 17 "Average Difference" N 90 3.201 -0.547 3.171 18484 98 1 17 "Average Difference" HA 101 0.463 -0.118 0.450 18484 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18484 100 1 17 "Average Difference" CA 95 1.511 0.718 1.336 18484 101 1 17 "Average Difference" CB 89 1.479 -0.527 1.390 18484 102 1 17 "Average Difference" HN 90 0.554 -0.277 0.483 18484 103 1 18 "Average Difference" N 90 2.580 -0.127 2.591 18484 104 1 18 "Average Difference" HA 101 0.468 -0.103 0.459 18484 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18484 106 1 18 "Average Difference" CA 95 1.416 0.654 1.262 18484 107 1 18 "Average Difference" CB 89 1.438 -0.530 1.344 18484 108 1 18 "Average Difference" HN 90 0.581 -0.268 0.518 18484 109 1 19 "Average Difference" N 90 2.883 -0.671 2.819 18484 110 1 19 "Average Difference" HA 101 0.403 -0.104 0.391 18484 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18484 112 1 19 "Average Difference" CA 95 1.371 0.660 1.209 18484 113 1 19 "Average Difference" CB 89 1.443 -0.443 1.381 18484 114 1 19 "Average Difference" HN 90 0.527 -0.233 0.475 18484 115 1 20 "Average Difference" N 90 2.911 -0.885 2.789 18484 116 1 20 "Average Difference" HA 101 0.436 -0.102 0.426 18484 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18484 118 1 20 "Average Difference" CA 95 1.383 0.662 1.220 18484 119 1 20 "Average Difference" CB 89 1.406 -0.479 1.329 18484 120 1 20 "Average Difference" HN 90 0.560 -0.289 0.482 18484 121 1 21 "Average Difference" N 90 2.977 -0.307 2.977 18484 122 1 21 "Average Difference" HA 101 0.430 -0.100 0.420 18484 123 1 21 "Average Difference" C 0 0.000 0.000 0.000 18484 124 1 21 "Average Difference" CA 95 1.307 0.645 1.143 18484 125 1 21 "Average Difference" CB 89 1.335 -0.426 1.272 18484 126 1 21 "Average Difference" HN 90 0.545 -0.275 0.473 18484 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 18484 _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 GLY N N 2 110.403 110.403 109.883 0.520 18484 2 1 . 1 1 2 2 GLY H H 2 8.459 8.459 8.419 0.040 18484 3 1 . 1 1 10 10 SER HA H 10 4.435 4.435 4.441 -0.006 18484 4 1 . 1 1 11 11 SER CA C 11 57.649 57.649 58.512 -0.863 18484 5 1 . 1 1 11 11 SER CB C 11 62.672 62.672 63.827 -1.155 18484 6 1 . 1 1 12 12 GLY N N 12 110.471 110.471 110.466 0.005 18484 7 1 . 1 1 12 12 GLY CA C 12 45.312 45.312 45.015 0.297 18484 8 1 . 1 1 12 12 GLY H H 12 8.365 8.365 8.394 -0.029 18484 9 1 . 1 1 13 13 LEU N N 13 121.432 121.432 120.791 0.641 18484 10 1 . 1 1 13 13 LEU HA H 13 4.327 4.327 4.489 -0.162 18484 11 1 . 1 1 13 13 LEU CA C 13 55.573 55.573 55.038 0.535 18484 12 1 . 1 1 13 13 LEU CB C 13 42.428 42.428 42.563 -0.135 18484 13 1 . 1 1 13 13 LEU H H 13 8.024 8.024 8.003 0.021 18484 14 1 . 1 1 14 14 VAL N N 14 122.309 122.309 119.065 3.244 18484 15 1 . 1 1 14 14 VAL H H 14 8.062 8.062 8.010 0.052 18484 16 1 . 1 1 16 16 ARG N N 16 121.951 121.951 120.081 1.870 18484 17 1 . 1 1 16 16 ARG HA H 16 4.312 4.312 4.267 0.045 18484 18 1 . 1 1 16 16 ARG CA C 16 56.102 56.102 56.437 -0.335 18484 19 1 . 1 1 16 16 ARG CB C 16 30.891 30.891 30.500 0.391 18484 20 1 . 1 1 16 16 ARG H H 16 8.465 8.465 8.272 0.193 18484 21 1 . 1 1 20 20 MET HA H 20 4.435 4.435 4.450 -0.015 18484 22 1 . 1 1 20 20 MET CA C 20 55.500 55.500 55.935 -0.435 18484 23 1 . 1 1 20 20 MET CB C 20 32.070 32.070 33.078 -1.008 18484 24 1 . 1 1 21 21 SER N N 21 117.005 117.005 116.786 0.219 18484 25 1 . 1 1 21 21 SER HA H 21 4.435 4.435 4.507 -0.072 18484 26 1 . 1 1 21 21 SER CA C 21 57.066 57.066 58.554 -1.488 18484 27 1 . 1 1 21 21 SER CB C 21 62.566 62.566 63.981 -1.415 18484 28 1 . 1 1 21 21 SER H H 21 8.332 8.332 8.262 0.070 18484 29 1 . 1 1 22 22 LEU N N 22 124.083 124.083 121.830 2.253 18484 30 1 . 1 1 22 22 LEU HA H 22 4.348 4.348 4.419 -0.071 18484 31 1 . 1 1 22 22 LEU CA C 22 55.471 55.471 55.610 -0.139 18484 32 1 . 1 1 22 22 LEU CB C 22 42.322 42.322 42.404 -0.082 18484 33 1 . 1 1 22 22 LEU H H 22 8.340 8.340 8.166 0.174 18484 34 1 . 1 1 23 23 ASP N N 23 120.867 120.867 119.577 1.290 18484 35 1 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.648 -0.082 18484 36 1 . 1 1 23 23 ASP CA C 23 54.687 54.687 54.360 0.327 18484 37 1 . 1 1 23 23 ASP CB C 23 41.553 41.553 41.462 0.091 18484 38 1 . 1 1 23 23 ASP H H 23 8.312 8.312 8.230 0.082 18484 39 1 . 1 1 24 24 GLU N N 24 121.470 121.470 120.232 1.238 18484 40 1 . 1 1 24 24 GLU HA H 24 4.566 4.566 4.292 0.274 18484 41 1 . 1 1 24 24 GLU CA C 24 56.921 56.921 56.733 0.188 18484 42 1 . 1 1 24 24 GLU CB C 24 30.015 30.015 30.141 -0.126 18484 43 1 . 1 1 24 24 GLU H H 24 8.411 8.411 8.361 0.050 18484 44 1 . 1 1 25 25 ASN N N 25 118.582 118.582 119.498 -0.916 18484 45 1 . 1 1 25 25 ASN HA H 25 4.707 4.707 4.649 0.058 18484 46 1 . 1 1 25 25 ASN CA C 25 53.593 53.593 53.560 0.033 18484 47 1 . 1 1 25 25 ASN CB C 25 39.188 39.188 38.841 0.347 18484 48 1 . 1 1 25 25 ASN H H 25 8.436 8.436 8.411 0.025 18484 49 1 . 1 1 26 26 GLU N N 26 121.262 121.262 119.963 1.299 18484 50 1 . 1 1 26 26 GLU HA H 26 4.247 4.247 4.335 -0.088 18484 51 1 . 1 1 26 26 GLU CA C 26 56.310 56.310 56.471 -0.161 18484 52 1 . 1 1 26 26 GLU CB C 26 30.342 30.342 30.515 -0.173 18484 53 1 . 1 1 26 26 GLU H H 26 8.196 8.196 8.353 -0.157 18484 54 1 . 1 1 27 27 VAL N N 27 121.381 121.381 119.559 1.822 18484 55 1 . 1 1 27 27 VAL HA H 27 4.036 4.036 4.129 -0.093 18484 56 1 . 1 1 27 27 VAL CA C 27 62.396 62.396 62.462 -0.066 18484 57 1 . 1 1 27 27 VAL CB C 27 32.770 32.770 32.332 0.438 18484 58 1 . 1 1 27 27 VAL H H 27 8.092 8.092 8.206 -0.114 18484 59 1 . 1 1 28 28 ALA N N 28 127.549 127.549 126.205 1.344 18484 60 1 . 1 1 28 28 ALA HA H 28 4.300 4.300 4.270 0.030 18484 61 1 . 1 1 28 28 ALA CA C 28 52.388 52.388 52.640 -0.252 18484 62 1 . 1 1 28 28 ALA CB C 28 20.383 20.383 18.798 1.585 18484 63 1 . 1 1 28 28 ALA H H 28 8.280 8.280 8.284 -0.004 18484 64 1 . 1 1 29 29 ALA N N 29 122.963 122.963 122.982 -0.019 18484 65 1 . 1 1 29 29 ALA HA H 29 4.257 4.257 4.286 -0.029 18484 66 1 . 1 1 29 29 ALA CA C 29 52.737 52.737 52.499 0.238 18484 67 1 . 1 1 29 29 ALA CB C 29 20.585 20.585 19.209 1.376 18484 68 1 . 1 1 29 29 ALA H H 29 8.182 8.182 8.200 -0.018 18484 69 1 . 1 1 30 30 ASN N N 30 117.863 117.863 117.336 0.527 18484 70 1 . 1 1 30 30 ASN HA H 30 4.697 4.697 4.660 0.037 18484 71 1 . 1 1 30 30 ASN CA C 30 53.107 53.107 53.379 -0.272 18484 72 1 . 1 1 30 30 ASN CB C 30 38.876 38.876 38.895 -0.019 18484 73 1 . 1 1 30 30 ASN H H 30 8.323 8.323 8.371 -0.048 18484 74 1 . 1 1 31 31 VAL N N 31 120.074 120.074 117.971 2.103 18484 75 1 . 1 1 31 31 VAL HA H 31 4.131 4.131 4.175 -0.044 18484 76 1 . 1 1 31 31 VAL CA C 31 60.983 60.983 62.725 -1.742 18484 77 1 . 1 1 31 31 VAL CB C 31 32.827 32.827 32.316 0.511 18484 78 1 . 1 1 31 31 VAL H H 31 8.041 8.041 7.991 0.050 18484 79 1 . 1 1 32 32 GLU N N 32 124.378 124.378 121.238 3.140 18484 80 1 . 1 1 32 32 GLU HA H 32 4.339 4.339 4.397 -0.058 18484 81 1 . 1 1 32 32 GLU CA C 32 56.728 56.728 56.604 0.124 18484 82 1 . 1 1 32 32 GLU CB C 32 30.439 30.439 30.350 0.089 18484 83 1 . 1 1 32 32 GLU H H 32 8.487 8.487 8.453 0.034 18484 84 1 . 1 1 33 33 THR N N 33 116.772 116.772 114.534 2.238 18484 85 1 . 1 1 33 33 THR HA H 33 4.312 4.312 4.332 -0.020 18484 86 1 . 1 1 33 33 THR CA C 33 60.472 60.472 62.262 -1.790 18484 87 1 . 1 1 33 33 THR CB C 33 68.412 68.412 69.354 -0.942 18484 88 1 . 1 1 33 33 THR H H 33 8.224 8.224 8.070 0.154 18484 89 1 . 1 1 34 34 ARG N N 34 124.955 124.955 122.468 2.487 18484 90 1 . 1 1 34 34 ARG HA H 34 4.732 4.732 4.454 0.278 18484 91 1 . 1 1 34 34 ARG CA C 34 53.635 53.635 55.069 -1.434 18484 92 1 . 1 1 34 34 ARG CB C 34 30.581 30.581 30.270 0.311 18484 93 1 . 1 1 34 34 ARG H H 34 8.438 8.438 8.196 0.242 18484 94 1 . 1 1 35 35 PRO HA H 35 4.667 4.667 4.416 0.251 18484 95 1 . 1 1 35 35 PRO CA C 35 61.995 61.995 63.392 -1.397 18484 96 1 . 1 1 35 35 PRO CB C 35 32.459 32.459 32.426 0.033 18484 97 1 . 1 1 36 36 GLU N N 36 121.398 121.398 118.320 3.078 18484 98 1 . 1 1 36 36 GLU HA H 36 4.509 4.509 4.480 0.029 18484 99 1 . 1 1 36 36 GLU CA C 36 55.563 55.563 55.806 -0.243 18484 100 1 . 1 1 36 36 GLU CB C 36 31.628 31.628 30.853 0.775 18484 101 1 . 1 1 36 36 GLU H H 36 8.663 8.663 8.388 0.275 18484 102 1 . 1 1 37 37 LEU N N 37 125.233 125.233 123.841 1.392 18484 103 1 . 1 1 37 37 LEU HA H 37 5.240 5.240 4.649 0.591 18484 104 1 . 1 1 37 37 LEU CA C 37 54.120 54.120 54.569 -0.449 18484 105 1 . 1 1 37 37 LEU CB C 37 42.407 42.407 42.198 0.209 18484 106 1 . 1 1 37 37 LEU H H 37 8.352 8.352 8.527 -0.175 18484 107 1 . 1 1 38 38 ILE N N 38 121.904 121.904 123.134 -1.230 18484 108 1 . 1 1 38 38 ILE HA H 38 4.775 4.775 4.667 0.108 18484 109 1 . 1 1 38 38 ILE CA C 38 58.065 58.065 59.623 -1.558 18484 110 1 . 1 1 38 38 ILE CB C 38 41.790 41.790 40.208 1.582 18484 111 1 . 1 1 38 38 ILE H H 38 9.224 9.224 8.700 0.524 18484 112 1 . 1 1 39 39 THR N N 39 111.692 111.692 112.155 -0.463 18484 113 1 . 1 1 39 39 THR HA H 39 5.443 5.443 5.073 0.370 18484 114 1 . 1 1 39 39 THR CA C 39 57.825 57.825 60.926 -3.101 18484 115 1 . 1 1 39 39 THR CB C 39 70.337 70.337 70.998 -0.661 18484 116 1 . 1 1 39 39 THR H H 39 8.077 8.077 8.234 -0.157 18484 117 1 . 1 1 40 40 ARG N N 40 121.666 121.666 122.895 -1.229 18484 118 1 . 1 1 40 40 ARG HA H 40 4.707 4.707 4.627 0.080 18484 119 1 . 1 1 40 40 ARG CA C 40 55.674 55.674 55.579 0.095 18484 120 1 . 1 1 40 40 ARG CB C 40 34.932 34.932 33.135 1.797 18484 121 1 . 1 1 40 40 ARG H H 40 8.558 8.558 9.025 -0.467 18484 122 1 . 1 1 41 41 THR N N 41 115.335 115.335 119.551 -4.216 18484 123 1 . 1 1 41 41 THR HA H 41 5.345 5.345 4.967 0.378 18484 124 1 . 1 1 41 41 THR CA C 41 59.028 59.028 61.661 -2.633 18484 125 1 . 1 1 41 41 THR CB C 41 70.332 70.332 69.928 0.404 18484 126 1 . 1 1 41 41 THR H H 41 8.532 8.532 8.543 -0.011 18484 127 1 . 1 1 42 42 GLU N N 42 122.278 122.278 127.348 -5.070 18484 128 1 . 1 1 42 42 GLU HA H 42 4.705 4.705 4.513 0.192 18484 129 1 . 1 1 42 42 GLU CA C 42 54.318 54.318 54.408 -0.090 18484 130 1 . 1 1 42 42 GLU CB C 42 33.984 33.984 31.340 2.644 18484 131 1 . 1 1 42 42 GLU H H 42 9.049 9.049 8.521 0.528 18484 132 1 . 1 1 43 43 GLU N N 43 122.782 122.782 122.631 0.151 18484 133 1 . 1 1 43 43 GLU HA H 43 4.659 4.659 4.250 0.409 18484 134 1 . 1 1 43 43 GLU CA C 43 56.074 56.074 56.867 -0.793 18484 135 1 . 1 1 43 43 GLU CB C 43 31.559 31.559 28.910 2.649 18484 136 1 . 1 1 43 43 GLU H H 43 8.722 8.722 8.621 0.101 18484 137 1 . 1 1 44 44 ILE N N 44 123.255 123.255 127.066 -3.811 18484 138 1 . 1 1 44 44 ILE HA H 44 4.557 4.557 4.452 0.105 18484 139 1 . 1 1 44 44 ILE CA C 44 55.622 55.622 58.229 -2.607 18484 140 1 . 1 1 44 44 ILE CB C 44 40.902 40.902 38.564 2.338 18484 141 1 . 1 1 44 44 ILE H H 44 7.740 7.740 7.843 -0.103 18484 142 1 . 1 1 45 45 PRO HA H 45 4.177 4.177 4.568 -0.391 18484 143 1 . 1 1 45 45 PRO CA C 45 61.978 61.978 62.170 -0.192 18484 144 1 . 1 1 45 45 PRO CB C 45 32.314 32.314 32.339 -0.025 18484 145 1 . 1 1 46 46 PHE N N 46 114.670 114.670 118.219 -3.549 18484 146 1 . 1 1 46 46 PHE HA H 46 4.913 4.913 4.760 0.152 18484 147 1 . 1 1 46 46 PHE CA C 46 54.749 54.749 56.251 -1.502 18484 148 1 . 1 1 46 46 PHE CB C 46 42.057 42.057 40.586 1.471 18484 149 1 . 1 1 46 46 PHE H H 46 6.912 6.912 7.974 -1.062 18484 150 1 . 1 1 47 47 GLU N N 47 120.217 120.217 120.057 0.160 18484 151 1 . 1 1 47 47 GLU HA H 47 4.600 4.600 4.405 0.195 18484 152 1 . 1 1 47 47 GLU CA C 47 54.771 54.771 55.572 -0.801 18484 153 1 . 1 1 47 47 GLU CB C 47 32.338 32.338 32.391 -0.053 18484 154 1 . 1 1 47 47 GLU H H 47 8.271 8.271 8.635 -0.364 18484 155 1 . 1 1 48 48 VAL N N 48 121.331 121.331 124.256 -2.925 18484 156 1 . 1 1 48 48 VAL HA H 48 4.734 4.734 4.273 0.461 18484 157 1 . 1 1 48 48 VAL CA C 48 61.472 61.472 62.728 -1.256 18484 158 1 . 1 1 48 48 VAL CB C 48 32.699 32.699 32.447 0.252 18484 159 1 . 1 1 48 48 VAL H H 48 8.625 8.625 8.454 0.171 18484 160 1 . 1 1 49 49 ILE N N 49 132.310 132.310 126.318 5.992 18484 161 1 . 1 1 49 49 ILE HA H 49 4.205 4.205 4.443 -0.238 18484 162 1 . 1 1 49 49 ILE CA C 49 58.886 58.886 59.505 -0.619 18484 163 1 . 1 1 49 49 ILE CB C 49 39.037 39.037 40.992 -1.955 18484 164 1 . 1 1 49 49 ILE H H 49 9.505 9.505 8.219 1.286 18484 165 1 . 1 1 50 50 LYS N N 50 125.764 125.764 123.256 2.508 18484 166 1 . 1 1 50 50 LYS HA H 50 5.284 5.284 4.652 0.632 18484 167 1 . 1 1 50 50 LYS CA C 50 54.802 54.802 55.191 -0.389 18484 168 1 . 1 1 50 50 LYS CB C 50 34.186 34.186 32.762 1.424 18484 169 1 . 1 1 50 50 LYS H H 50 8.507 8.507 8.386 0.121 18484 170 1 . 1 1 51 51 LYS N N 51 124.935 124.935 125.442 -0.507 18484 171 1 . 1 1 51 51 LYS HA H 51 4.608 4.608 4.526 0.082 18484 172 1 . 1 1 51 51 LYS CA C 51 54.006 54.006 54.930 -0.924 18484 173 1 . 1 1 51 51 LYS CB C 51 34.756 34.756 34.727 0.029 18484 174 1 . 1 1 51 51 LYS H H 51 9.066 9.066 8.266 0.800 18484 175 1 . 1 1 52 52 GLU N N 52 124.186 124.186 122.294 1.892 18484 176 1 . 1 1 52 52 GLU HA H 52 4.621 4.621 4.864 -0.243 18484 177 1 . 1 1 52 52 GLU CA C 52 55.931 55.931 55.495 0.436 18484 178 1 . 1 1 52 52 GLU CB C 52 31.036 31.036 30.599 0.437 18484 179 1 . 1 1 52 52 GLU H H 52 8.777 8.777 8.578 0.199 18484 180 1 . 1 1 53 53 ASN N N 53 121.687 121.687 123.807 -2.120 18484 181 1 . 1 1 53 53 ASN HA H 53 5.240 5.240 5.148 0.092 18484 182 1 . 1 1 53 53 ASN CA C 53 49.409 49.409 50.086 -0.677 18484 183 1 . 1 1 53 53 ASN CB C 53 40.473 40.473 39.859 0.614 18484 184 1 . 1 1 53 53 ASN H H 53 8.890 8.890 8.686 0.204 18484 185 1 . 1 1 54 54 PRO HA H 54 4.587 4.587 4.497 0.090 18484 186 1 . 1 1 54 54 PRO CA C 54 62.650 62.650 64.300 -1.650 18484 187 1 . 1 1 54 54 PRO CB C 54 32.219 32.219 31.833 0.386 18484 188 1 . 1 1 55 55 ASN N N 55 115.629 115.629 116.465 -0.836 18484 189 1 . 1 1 55 55 ASN HA H 55 4.695 4.695 4.567 0.128 18484 190 1 . 1 1 55 55 ASN CA C 55 53.685 53.685 54.027 -0.342 18484 191 1 . 1 1 55 55 ASN CB C 55 39.137 39.137 38.586 0.551 18484 192 1 . 1 1 55 55 ASN H H 55 8.422 8.422 8.362 0.060 18484 193 1 . 1 1 56 56 LEU N N 56 121.277 121.277 120.656 0.621 18484 194 1 . 1 1 56 56 LEU HA H 56 4.686 4.686 4.457 0.229 18484 195 1 . 1 1 56 56 LEU CA C 56 52.145 52.145 53.475 -1.330 18484 196 1 . 1 1 56 56 LEU CB C 56 42.456 42.456 41.838 0.618 18484 197 1 . 1 1 56 56 LEU H H 56 7.278 7.278 7.458 -0.180 18484 198 1 . 1 1 57 57 PRO HA H 57 4.298 4.298 4.452 -0.154 18484 199 1 . 1 1 57 57 PRO CA C 57 61.332 61.332 62.445 -1.113 18484 200 1 . 1 1 57 57 PRO CB C 57 32.232 32.232 30.714 1.518 18484 201 1 . 1 1 58 58 ALA N N 58 123.896 123.896 120.706 3.190 18484 202 1 . 1 1 58 58 ALA HA H 58 3.892 3.892 4.019 -0.127 18484 203 1 . 1 1 58 58 ALA CA C 58 53.559 53.559 52.665 0.894 18484 204 1 . 1 1 58 58 ALA CB C 58 19.480 19.480 18.589 0.891 18484 205 1 . 1 1 58 58 ALA H H 58 8.263 8.263 7.619 0.644 18484 206 1 . 1 1 59 59 GLY N N 59 110.843 110.843 109.572 1.271 18484 207 1 . 1 1 59 59 GLY CA C 59 45.339 45.339 45.570 -0.231 18484 208 1 . 1 1 59 59 GLY H H 59 8.755 8.755 8.491 0.264 18484 209 1 . 1 1 60 60 GLN N N 60 121.444 121.444 119.389 2.055 18484 210 1 . 1 1 60 60 GLN HA H 60 4.251 4.251 4.459 -0.208 18484 211 1 . 1 1 60 60 GLN CA C 60 56.080 56.080 55.137 0.943 18484 212 1 . 1 1 60 60 GLN CB C 60 29.876 29.876 30.791 -0.915 18484 213 1 . 1 1 60 60 GLN H H 60 7.877 7.877 8.029 -0.152 18484 214 1 . 1 1 61 61 GLU N N 61 123.364 123.364 124.265 -0.901 18484 215 1 . 1 1 61 61 GLU HA H 61 5.241 5.241 4.839 0.402 18484 216 1 . 1 1 61 61 GLU CA C 61 55.012 55.012 55.248 -0.236 18484 217 1 . 1 1 61 61 GLU CB C 61 32.368 32.368 31.877 0.491 18484 218 1 . 1 1 61 61 GLU H H 61 8.419 8.419 8.605 -0.186 18484 219 1 . 1 1 62 62 ASN N N 62 121.499 121.499 122.139 -0.640 18484 220 1 . 1 1 62 62 ASN HA H 62 5.078 5.078 4.942 0.136 18484 221 1 . 1 1 62 62 ASN CA C 62 51.617 51.617 52.262 -0.645 18484 222 1 . 1 1 62 62 ASN CB C 62 40.999 40.999 40.473 0.526 18484 223 1 . 1 1 62 62 ASN H H 62 9.164 9.164 8.372 0.792 18484 224 1 . 1 1 63 63 ILE N N 63 125.976 125.976 123.720 2.256 18484 225 1 . 1 1 63 63 ILE HA H 63 3.979 3.979 4.382 -0.403 18484 226 1 . 1 1 63 63 ILE CA C 63 61.650 61.650 60.429 1.221 18484 227 1 . 1 1 63 63 ILE CB C 63 37.404 37.404 36.948 0.456 18484 228 1 . 1 1 63 63 ILE H H 63 9.032 9.032 8.669 0.363 18484 229 1 . 1 1 64 64 ILE N N 64 130.073 130.073 127.868 2.205 18484 230 1 . 1 1 64 64 ILE HA H 64 4.139 4.139 4.075 0.064 18484 231 1 . 1 1 64 64 ILE CA C 64 60.699 60.699 62.447 -1.748 18484 232 1 . 1 1 64 64 ILE CB C 64 38.029 38.029 38.390 -0.361 18484 233 1 . 1 1 64 64 ILE H H 64 8.876 8.876 8.709 0.167 18484 234 1 . 1 1 65 65 THR N N 65 116.771 116.771 114.815 1.956 18484 235 1 . 1 1 65 65 THR HA H 65 4.349 4.349 4.434 -0.085 18484 236 1 . 1 1 65 65 THR CA C 65 60.066 60.066 61.422 -1.356 18484 237 1 . 1 1 65 65 THR CB C 65 71.059 71.059 69.988 1.071 18484 238 1 . 1 1 65 65 THR H H 65 7.699 7.699 7.492 0.207 18484 239 1 . 1 1 66 66 ALA N N 66 130.117 130.117 128.745 1.372 18484 240 1 . 1 1 66 66 ALA HA H 66 3.928 3.928 4.139 -0.211 18484 241 1 . 1 1 66 66 ALA CA C 66 51.617 51.617 52.578 -0.961 18484 242 1 . 1 1 66 66 ALA CB C 66 19.653 19.653 19.348 0.305 18484 243 1 . 1 1 66 66 ALA H H 66 8.579 8.579 8.289 0.290 18484 244 1 . 1 1 67 67 GLY N N 67 107.619 107.619 109.188 -1.569 18484 245 1 . 1 1 67 67 GLY CA C 67 43.606 43.606 43.986 -0.380 18484 246 1 . 1 1 67 67 GLY H H 67 8.387 8.387 7.941 0.446 18484 247 1 . 1 1 68 68 VAL N N 68 123.776 123.776 123.307 0.469 18484 248 1 . 1 1 68 68 VAL HA H 68 4.124 4.124 4.133 -0.009 18484 249 1 . 1 1 68 68 VAL CA C 68 60.443 60.443 60.171 0.272 18484 250 1 . 1 1 68 68 VAL CB C 68 34.972 34.972 35.852 -0.880 18484 251 1 . 1 1 68 68 VAL H H 68 8.966 8.966 8.191 0.775 18484 252 1 . 1 1 69 69 LYS N N 69 125.803 125.803 126.421 -0.618 18484 253 1 . 1 1 69 69 LYS HA H 69 4.448 4.448 4.379 0.069 18484 254 1 . 1 1 69 69 LYS CA C 69 57.012 57.012 57.329 -0.317 18484 255 1 . 1 1 69 69 LYS CB C 69 33.410 33.410 31.973 1.437 18484 256 1 . 1 1 69 69 LYS H H 69 8.799 8.799 8.844 -0.045 18484 257 1 . 1 1 70 70 GLY N N 70 108.188 108.188 112.772 -4.584 18484 258 1 . 1 1 70 70 GLY CA C 70 43.549 43.549 44.381 -0.832 18484 259 1 . 1 1 70 70 GLY H H 70 8.858 8.858 8.138 0.720 18484 260 1 . 1 1 71 71 GLU N N 71 123.030 123.030 118.755 4.275 18484 261 1 . 1 1 71 71 GLU HA H 71 5.059 5.059 4.636 0.423 18484 262 1 . 1 1 71 71 GLU CA C 71 56.146 56.146 56.295 -0.149 18484 263 1 . 1 1 71 71 GLU CB C 71 36.142 36.142 33.036 3.106 18484 264 1 . 1 1 71 71 GLU H H 71 9.538 9.538 8.402 1.136 18484 265 1 . 1 1 72 72 ARG N N 72 126.426 126.426 124.602 1.824 18484 266 1 . 1 1 72 72 ARG HA H 72 5.059 5.059 4.894 0.165 18484 267 1 . 1 1 72 72 ARG CA C 72 54.001 54.001 54.894 -0.893 18484 268 1 . 1 1 72 72 ARG CB C 72 33.500 33.500 32.960 0.540 18484 269 1 . 1 1 72 72 ARG H H 72 9.191 9.191 8.253 0.938 18484 270 1 . 1 1 73 73 THR N N 73 120.983 120.983 124.014 -3.031 18484 271 1 . 1 1 73 73 THR HA H 73 4.522 4.522 4.533 -0.011 18484 272 1 . 1 1 73 73 THR CA C 73 60.953 60.953 64.293 -3.340 18484 273 1 . 1 1 73 73 THR CB C 73 68.412 68.412 69.526 -1.114 18484 274 1 . 1 1 73 73 THR H H 73 9.249 9.249 8.587 0.662 18484 275 1 . 1 1 74 74 HIS N N 74 125.685 125.685 125.873 -0.188 18484 276 1 . 1 1 74 74 HIS HA H 74 5.153 5.153 4.638 0.515 18484 277 1 . 1 1 74 74 HIS CA C 74 54.487 54.487 55.279 -0.792 18484 278 1 . 1 1 74 74 HIS CB C 74 32.997 32.997 31.519 1.478 18484 279 1 . 1 1 74 74 HIS H H 74 9.056 9.056 8.885 0.171 18484 280 1 . 1 1 75 75 TYR N N 75 123.688 123.688 125.095 -1.407 18484 281 1 . 1 1 75 75 TYR HA H 75 4.868 4.868 4.909 -0.041 18484 282 1 . 1 1 75 75 TYR CA C 75 56.499 56.499 54.585 1.914 18484 283 1 . 1 1 75 75 TYR CB C 75 38.425 38.425 36.601 1.824 18484 284 1 . 1 1 75 75 TYR H H 75 8.945 8.945 7.829 1.116 18484 285 1 . 1 1 76 76 ILE N N 76 125.717 125.717 124.237 1.480 18484 286 1 . 1 1 76 76 ILE HA H 76 4.800 4.800 4.337 0.463 18484 287 1 . 1 1 76 76 ILE CA C 76 58.787 58.787 60.325 -1.538 18484 288 1 . 1 1 76 76 ILE CB C 76 42.034 42.034 39.973 2.062 18484 289 1 . 1 1 76 76 ILE H H 76 9.079 9.079 8.330 0.749 18484 290 1 . 1 1 77 77 SER N N 77 120.473 120.473 118.585 1.888 18484 291 1 . 1 1 77 77 SER HA H 77 5.183 5.183 4.851 0.332 18484 292 1 . 1 1 77 77 SER CA C 77 55.930 55.930 57.236 -1.306 18484 293 1 . 1 1 77 77 SER CB C 77 63.118 63.118 64.140 -1.022 18484 294 1 . 1 1 77 77 SER H H 77 9.047 9.047 8.205 0.843 18484 295 1 . 1 1 78 78 VAL N N 78 128.488 128.488 126.552 1.936 18484 296 1 . 1 1 78 78 VAL HA H 78 4.729 4.729 4.267 0.462 18484 297 1 . 1 1 78 78 VAL CA C 78 60.517 60.517 61.826 -1.309 18484 298 1 . 1 1 78 78 VAL CB C 78 33.685 33.685 31.653 2.032 18484 299 1 . 1 1 78 78 VAL H H 78 9.301 9.301 8.106 1.195 18484 300 1 . 1 1 79 79 LEU N N 79 129.698 129.698 130.155 -0.457 18484 301 1 . 1 1 79 79 LEU HA H 79 4.783 4.783 4.726 0.057 18484 302 1 . 1 1 79 79 LEU CA C 79 53.873 53.873 53.494 0.379 18484 303 1 . 1 1 79 79 LEU CB C 79 45.605 45.605 43.711 1.894 18484 304 1 . 1 1 79 79 LEU H H 79 8.553 8.553 8.027 0.526 18484 305 1 . 1 1 80 80 THR N N 80 123.276 123.276 120.680 2.596 18484 306 1 . 1 1 80 80 THR HA H 80 5.096 5.096 4.612 0.484 18484 307 1 . 1 1 80 80 THR CA C 80 60.231 60.231 62.271 -2.040 18484 308 1 . 1 1 80 80 THR CB C 80 68.171 68.171 68.971 -0.800 18484 309 1 . 1 1 80 80 THR H H 80 8.754 8.754 8.611 0.143 18484 310 1 . 1 1 81 81 GLU N N 81 125.405 125.405 127.437 -2.032 18484 311 1 . 1 1 81 81 GLU HA H 81 4.530 4.530 4.421 0.109 18484 312 1 . 1 1 81 81 GLU CA C 81 55.372 55.372 55.810 -0.438 18484 313 1 . 1 1 81 81 GLU CB C 81 32.374 32.374 30.795 1.579 18484 314 1 . 1 1 81 81 GLU H H 81 8.615 8.615 8.454 0.161 18484 315 1 . 1 1 82 82 ASN N N 82 124.375 124.375 122.320 2.055 18484 316 1 . 1 1 82 82 ASN HA H 82 4.360 4.360 4.452 -0.092 18484 317 1 . 1 1 82 82 ASN CA C 82 54.328 54.328 53.699 0.629 18484 318 1 . 1 1 82 82 ASN CB C 82 37.432 37.432 37.671 -0.239 18484 319 1 . 1 1 82 82 ASN H H 82 9.559 9.559 8.982 0.577 18484 320 1 . 1 1 83 83 GLY N N 83 103.733 103.733 104.259 -0.526 18484 321 1 . 1 1 83 83 GLY CA C 83 45.359 45.359 45.114 0.245 18484 322 1 . 1 1 83 83 GLY H H 83 8.626 8.626 8.342 0.284 18484 323 1 . 1 1 84 84 LYS N N 84 121.407 121.407 119.215 2.192 18484 324 1 . 1 1 84 84 LYS HA H 84 4.698 4.698 4.557 0.141 18484 325 1 . 1 1 84 84 LYS CA C 84 55.182 55.182 55.083 0.099 18484 326 1 . 1 1 84 84 LYS CB C 84 34.807 34.807 34.940 -0.133 18484 327 1 . 1 1 84 84 LYS H H 84 7.813 7.813 7.816 -0.003 18484 328 1 . 1 1 85 85 THR N N 85 121.799 121.799 119.999 1.800 18484 329 1 . 1 1 85 85 THR HA H 85 5.194 5.194 4.728 0.466 18484 330 1 . 1 1 85 85 THR CA C 85 60.472 60.472 61.641 -1.169 18484 331 1 . 1 1 85 85 THR CB C 85 69.134 69.134 69.123 0.011 18484 332 1 . 1 1 85 85 THR H H 85 8.796 8.796 8.484 0.312 18484 333 1 . 1 1 86 86 THR N N 86 122.071 122.071 121.255 0.816 18484 334 1 . 1 1 86 86 THR HA H 86 4.535 4.535 4.505 0.030 18484 335 1 . 1 1 86 86 THR CA C 86 59.990 59.990 61.461 -1.471 18484 336 1 . 1 1 86 86 THR CB C 86 69.856 69.856 70.173 -0.317 18484 337 1 . 1 1 86 86 THR H H 86 9.134 9.134 8.292 0.842 18484 338 1 . 1 1 87 87 GLU N N 87 126.429 126.429 125.104 1.325 18484 339 1 . 1 1 87 87 GLU HA H 87 5.030 5.030 4.542 0.488 18484 340 1 . 1 1 87 87 GLU CA C 87 55.029 55.029 55.521 -0.492 18484 341 1 . 1 1 87 87 GLU CB C 87 31.746 31.746 29.854 1.892 18484 342 1 . 1 1 87 87 GLU H H 87 8.905 8.905 8.623 0.282 18484 343 1 . 1 1 88 88 THR N N 88 120.353 120.353 120.233 0.120 18484 344 1 . 1 1 88 88 THR HA H 88 4.450 4.450 4.560 -0.110 18484 345 1 . 1 1 88 88 THR CA C 88 60.472 60.472 61.218 -0.746 18484 346 1 . 1 1 88 88 THR CB C 88 70.646 70.646 70.570 0.076 18484 347 1 . 1 1 88 88 THR H H 88 9.016 9.016 8.264 0.752 18484 348 1 . 1 1 89 89 VAL N N 89 128.484 128.484 126.167 2.317 18484 349 1 . 1 1 89 89 VAL HA H 89 3.978 3.978 3.932 0.046 18484 350 1 . 1 1 89 89 VAL CA C 89 62.471 62.471 63.724 -1.253 18484 351 1 . 1 1 89 89 VAL CB C 89 31.216 31.216 32.080 -0.864 18484 352 1 . 1 1 89 89 VAL H H 89 9.054 9.054 8.804 0.250 18484 353 1 . 1 1 90 90 LEU N N 90 130.587 130.587 127.877 2.710 18484 354 1 . 1 1 90 90 LEU HA H 90 4.325 4.325 4.658 -0.333 18484 355 1 . 1 1 90 90 LEU CA C 90 56.129 56.129 55.184 0.945 18484 356 1 . 1 1 90 90 LEU CB C 90 42.958 42.958 43.478 -0.520 18484 357 1 . 1 1 90 90 LEU H H 90 9.426 9.426 8.497 0.929 18484 358 1 . 1 1 91 91 ASP N N 91 114.928 114.928 118.028 -3.100 18484 359 1 . 1 1 91 91 ASP HA H 91 4.846 4.846 4.718 0.128 18484 360 1 . 1 1 91 91 ASP CA C 91 53.688 53.688 53.841 -0.153 18484 361 1 . 1 1 91 91 ASP CB C 91 43.521 43.521 43.612 -0.091 18484 362 1 . 1 1 91 91 ASP H H 91 7.924 7.924 7.888 0.036 18484 363 1 . 1 1 92 92 SER N N 92 117.203 117.203 116.954 0.249 18484 364 1 . 1 1 92 92 SER HA H 92 5.519 5.519 2.829 2.690 18484 365 1 . 1 1 92 92 SER CA C 92 56.622 56.622 56.414 0.208 18484 366 1 . 1 1 92 92 SER CB C 92 63.359 63.359 65.217 -1.858 18484 367 1 . 1 1 92 92 SER H H 92 8.376 8.376 8.023 0.353 18484 368 1 . 1 1 93 93 GLN N N 93 122.058 122.058 119.866 2.192 18484 369 1 . 1 1 93 93 GLN HA H 93 4.731 4.731 4.523 0.208 18484 370 1 . 1 1 93 93 GLN CA C 93 54.781 54.781 54.159 0.621 18484 371 1 . 1 1 93 93 GLN CB C 93 33.312 33.312 31.853 1.459 18484 372 1 . 1 1 93 93 GLN H H 93 9.005 9.005 7.928 1.077 18484 373 1 . 1 1 94 94 VAL N N 94 125.231 125.231 120.188 5.043 18484 374 1 . 1 1 94 94 VAL HA H 94 4.233 4.233 4.180 0.053 18484 375 1 . 1 1 94 94 VAL CA C 94 63.282 63.282 62.173 1.109 18484 376 1 . 1 1 94 94 VAL CB C 94 30.906 30.906 31.582 -0.676 18484 377 1 . 1 1 94 94 VAL H H 94 9.085 9.085 8.483 0.601 18484 378 1 . 1 1 95 95 THR N N 95 121.170 121.170 121.328 -0.158 18484 379 1 . 1 1 95 95 THR HA H 95 4.384 4.384 4.557 -0.173 18484 380 1 . 1 1 95 95 THR CA C 95 60.953 60.953 60.999 -0.046 18484 381 1 . 1 1 95 95 THR CB C 95 68.653 68.653 68.331 0.322 18484 382 1 . 1 1 95 95 THR H H 95 8.521 8.521 8.309 0.212 18484 383 1 . 1 1 96 96 LYS N N 96 123.236 123.236 122.800 0.436 18484 384 1 . 1 1 96 96 LYS HA H 96 4.418 4.418 4.154 0.264 18484 385 1 . 1 1 96 96 LYS CA C 96 56.418 56.418 57.095 -0.677 18484 386 1 . 1 1 96 96 LYS CB C 96 35.690 35.690 32.648 3.042 18484 387 1 . 1 1 96 96 LYS H H 96 7.912 7.912 8.280 -0.368 18484 388 1 . 1 1 97 97 GLU N N 97 125.835 125.835 119.735 6.100 18484 389 1 . 1 1 97 97 GLU HA H 97 4.151 4.151 4.060 0.091 18484 390 1 . 1 1 97 97 GLU CA C 97 56.412 56.412 56.977 -0.565 18484 391 1 . 1 1 97 97 GLU CB C 97 29.948 29.948 29.745 0.203 18484 392 1 . 1 1 97 97 GLU H H 97 8.665 8.665 8.194 0.471 18484 393 1 . 1 1 98 98 VAL N N 98 122.204 122.204 124.094 -1.890 18484 394 1 . 1 1 98 98 VAL HA H 98 3.915 3.915 4.187 -0.272 18484 395 1 . 1 1 98 98 VAL CA C 98 60.208 60.208 62.665 -2.457 18484 396 1 . 1 1 98 98 VAL CB C 98 33.692 33.692 32.449 1.243 18484 397 1 . 1 1 98 98 VAL H H 98 8.339 8.339 8.303 0.036 18484 398 1 . 1 1 99 99 ILE N N 99 127.874 127.874 129.793 -1.919 18484 399 1 . 1 1 99 99 ILE HA H 99 4.197 4.197 3.999 0.198 18484 400 1 . 1 1 99 99 ILE CA C 99 60.606 60.606 61.189 -0.583 18484 401 1 . 1 1 99 99 ILE CB C 99 39.186 39.186 37.822 1.364 18484 402 1 . 1 1 99 99 ILE H H 99 8.608 8.608 8.049 0.559 18484 403 1 . 1 1 100 100 ASN N N 100 123.343 123.343 126.116 -2.773 18484 404 1 . 1 1 100 100 ASN HA H 100 4.914 4.914 4.836 0.078 18484 405 1 . 1 1 100 100 ASN CA C 100 53.704 53.704 52.167 1.537 18484 406 1 . 1 1 100 100 ASN CB C 100 37.731 37.731 39.649 -1.918 18484 407 1 . 1 1 100 100 ASN H H 100 8.446 8.446 8.445 0.001 18484 408 1 . 1 1 101 101 GLN N N 101 120.980 120.980 122.569 -1.589 18484 409 1 . 1 1 101 101 GLN HA H 101 4.325 4.325 4.382 -0.057 18484 410 1 . 1 1 101 101 GLN CA C 101 54.659 54.659 56.140 -1.481 18484 411 1 . 1 1 101 101 GLN CB C 101 31.616 31.616 28.836 2.780 18484 412 1 . 1 1 101 101 GLN H H 101 8.254 8.254 8.656 -0.402 18484 413 1 . 1 1 102 102 VAL N N 102 127.057 127.057 126.947 0.110 18484 414 1 . 1 1 102 102 VAL HA H 102 4.965 4.965 4.182 0.783 18484 415 1 . 1 1 102 102 VAL CA C 102 60.264 60.264 61.870 -1.606 18484 416 1 . 1 1 102 102 VAL CB C 102 33.626 33.626 31.944 1.682 18484 417 1 . 1 1 102 102 VAL H H 102 8.742 8.742 8.634 0.108 18484 418 1 . 1 1 103 103 VAL N N 103 127.794 127.794 125.453 2.341 18484 419 1 . 1 1 103 103 VAL HA H 103 4.812 4.812 5.017 -0.205 18484 420 1 . 1 1 103 103 VAL CA C 103 58.547 58.547 59.599 -1.052 18484 421 1 . 1 1 103 103 VAL CB C 103 35.718 35.718 34.435 1.283 18484 422 1 . 1 1 103 103 VAL H H 103 9.160 9.160 7.973 1.187 18484 423 1 . 1 1 104 104 GLU N N 104 125.160 125.160 126.816 -1.656 18484 424 1 . 1 1 104 104 GLU HA H 104 5.513 5.513 4.721 0.792 18484 425 1 . 1 1 104 104 GLU CA C 104 53.721 53.721 54.951 -1.230 18484 426 1 . 1 1 104 104 GLU CB C 104 32.383 32.383 31.053 1.330 18484 427 1 . 1 1 104 104 GLU H H 104 9.085 9.085 8.309 0.776 18484 428 1 . 1 1 105 105 VAL N N 105 117.602 117.602 123.485 -5.883 18484 429 1 . 1 1 105 105 VAL HA H 105 5.241 5.241 4.883 0.358 18484 430 1 . 1 1 105 105 VAL CA C 105 57.055 57.055 60.162 -3.107 18484 431 1 . 1 1 105 105 VAL CB C 105 35.204 35.204 33.205 1.999 18484 432 1 . 1 1 105 105 VAL H H 105 8.536 8.536 8.659 -0.123 18484 433 1 . 1 1 106 106 GLY N N 106 111.023 111.023 113.818 -2.795 18484 434 1 . 1 1 106 106 GLY CA C 106 46.117 46.117 44.809 1.308 18484 435 1 . 1 1 106 106 GLY H H 106 8.635 8.635 8.290 0.345 18484 436 1 . 1 1 107 107 ALA N N 107 127.369 127.369 126.857 0.512 18484 437 1 . 1 1 107 107 ALA HA H 107 4.515 4.515 4.536 -0.021 18484 438 1 . 1 1 107 107 ALA CA C 107 50.477 50.477 50.467 0.010 18484 439 1 . 1 1 107 107 ALA CB C 107 19.924 19.924 19.174 0.750 18484 440 1 . 1 1 107 107 ALA H H 107 7.929 7.929 7.907 0.022 18484 441 1 . 1 1 108 108 PRO HA H 108 4.494 4.494 4.478 0.016 18484 442 1 . 1 1 108 108 PRO CA C 108 61.698 61.698 63.376 -1.678 18484 443 1 . 1 1 108 108 PRO CB C 108 31.900 31.900 32.019 -0.119 18484 444 1 . 1 1 109 109 VAL N N 109 119.821 119.821 117.681 2.140 18484 445 1 . 1 1 109 109 VAL HA H 109 4.092 4.092 4.108 -0.016 18484 446 1 . 1 1 109 109 VAL CA C 109 60.949 60.949 63.073 -2.124 18484 447 1 . 1 1 109 109 VAL CB C 109 32.389 32.389 32.085 0.304 18484 448 1 . 1 1 109 109 VAL H H 109 8.303 8.303 8.087 0.216 18484 449 1 . 1 1 110 110 THR N N 110 118.171 118.171 115.583 2.588 18484 450 1 . 1 1 110 110 THR HA H 110 4.338 4.338 4.386 -0.048 18484 451 1 . 1 1 110 110 THR CA C 110 59.028 59.028 62.459 -3.431 18484 452 1 . 1 1 110 110 THR CB C 110 67.676 67.676 69.082 -1.406 18484 453 1 . 1 1 110 110 THR H H 110 8.209 8.209 8.128 0.081 18484 stop_ save_