data_18399 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18399 _Entry.PDB_ID 2LRW 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 18399 _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 8 8 LEU N N 2 125.142 125.142 121.290 3.852 18399 2 1 1 . 1 1 8 8 LEU HA H 2 4.474 4.474 4.949 -0.475 18399 3 1 1 . 1 1 8 8 LEU CA C 2 55.275 55.275 54.051 1.224 18399 4 1 1 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.409 -1.507 18399 5 1 1 . 1 1 8 8 LEU H H 2 8.251 8.251 7.672 0.579 18399 6 1 1 . 1 1 9 9 LEU N N 3 126.326 126.326 121.897 4.429 18399 7 1 1 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.934 -0.138 18399 8 1 1 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.301 -0.258 18399 9 1 1 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.058 -1.550 18399 10 1 1 . 1 1 9 9 LEU H H 3 8.307 8.307 7.933 0.374 18399 11 1 1 . 1 1 10 10 LYS N N 4 121.349 121.349 123.721 -2.372 18399 12 1 1 . 1 1 10 10 LYS HA H 4 5.080 5.080 5.115 -0.035 18399 13 1 1 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.717 -0.085 18399 14 1 1 . 1 1 10 10 LYS CB C 4 34.425 34.425 33.886 0.539 18399 15 1 1 . 1 1 10 10 LYS H H 4 8.428 8.428 8.513 -0.085 18399 16 1 1 . 1 1 11 11 VAL N N 5 122.408 122.408 122.286 0.122 18399 17 1 1 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.813 -0.125 18399 18 1 1 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.952 0.374 18399 19 1 1 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.721 1.109 18399 20 1 1 . 1 1 11 11 VAL H H 5 9.088 9.088 8.517 0.571 18399 21 1 1 . 1 1 12 12 LYS N N 6 127.778 127.778 126.147 1.631 18399 22 1 1 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.289 0.063 18399 23 1 1 . 1 1 12 12 LYS CA C 6 54.675 54.675 53.782 0.893 18399 24 1 1 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.166 -0.983 18399 25 1 1 . 1 1 12 12 LYS H H 6 9.029 9.029 8.667 0.362 18399 26 1 1 . 1 1 13 13 THR N N 7 116.723 116.723 115.055 1.668 18399 27 1 1 . 1 1 13 13 THR HA H 7 4.860 4.860 4.611 0.249 18399 28 1 1 . 1 1 13 13 THR CA C 7 60.392 60.392 60.348 0.044 18399 29 1 1 . 1 1 13 13 THR CB C 7 71.189 71.189 70.856 0.333 18399 30 1 1 . 1 1 13 13 THR H H 7 8.790 8.790 8.307 0.483 18399 31 1 1 . 1 1 14 14 VAL N N 8 119.340 119.340 120.765 -1.425 18399 32 1 1 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.177 -0.074 18399 33 1 1 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.365 0.347 18399 34 1 1 . 1 1 14 14 VAL CB C 8 31.160 31.160 32.060 -0.900 18399 35 1 1 . 1 1 14 14 VAL H H 8 8.872 8.872 8.565 0.307 18399 36 1 1 . 1 1 15 15 SER N N 9 114.630 114.630 114.540 0.090 18399 37 1 1 . 1 1 15 15 SER HA H 9 4.513 4.513 4.553 -0.040 18399 38 1 1 . 1 1 15 15 SER CA C 9 57.913 57.913 58.525 -0.612 18399 39 1 1 . 1 1 15 15 SER CB C 9 63.243 63.243 63.359 -0.116 18399 40 1 1 . 1 1 15 15 SER H H 9 7.859 7.859 7.590 0.269 18399 41 1 1 . 1 1 16 16 ASN N N 10 115.509 115.509 118.187 -2.678 18399 42 1 1 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.458 -0.266 18399 43 1 1 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.768 0.193 18399 44 1 1 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.634 -1.339 18399 45 1 1 . 1 1 16 16 ASN H H 10 8.229 8.229 7.947 0.282 18399 46 1 1 . 1 1 17 17 LYS N N 11 120.345 120.345 119.397 0.948 18399 47 1 1 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.503 -0.248 18399 48 1 1 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.162 1.185 18399 49 1 1 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.972 -0.036 18399 50 1 1 . 1 1 17 17 LYS H H 11 7.315 7.315 7.581 -0.266 18399 51 1 1 . 1 1 18 18 VAL N N 12 125.270 125.270 125.150 0.120 18399 52 1 1 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.619 0.018 18399 53 1 1 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.445 0.304 18399 54 1 1 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.942 -0.750 18399 55 1 1 . 1 1 18 18 VAL H H 12 8.576 8.576 8.215 0.361 18399 56 1 1 . 1 1 19 19 ILE N N 13 130.928 130.928 127.613 3.315 18399 57 1 1 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.412 -0.259 18399 58 1 1 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.449 0.996 18399 59 1 1 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.595 0.600 18399 60 1 1 . 1 1 19 19 ILE H H 13 9.486 9.486 8.814 0.672 18399 61 1 1 . 1 1 20 20 GLN N N 14 124.762 124.762 126.739 -1.977 18399 62 1 1 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.816 0.246 18399 63 1 1 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.650 0.145 18399 64 1 1 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.183 0.418 18399 65 1 1 . 1 1 20 20 GLN H H 14 8.803 8.803 8.480 0.323 18399 66 1 1 . 1 1 21 21 ILE N N 15 126.010 126.010 119.965 6.045 18399 67 1 1 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.666 -0.153 18399 68 1 1 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.650 -0.011 18399 69 1 1 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.893 -1.722 18399 70 1 1 . 1 1 21 21 ILE H H 15 9.076 9.076 8.057 1.019 18399 71 1 1 . 1 1 22 22 THR N N 16 118.074 118.074 118.065 0.009 18399 72 1 1 . 1 1 22 22 THR HA H 16 4.904 4.904 4.489 0.415 18399 73 1 1 . 1 1 22 22 THR CA C 16 61.462 61.462 61.397 0.065 18399 74 1 1 . 1 1 22 22 THR CB C 16 69.657 69.657 68.326 1.331 18399 75 1 1 . 1 1 22 22 THR H H 16 9.047 9.047 8.527 0.519 18399 76 1 1 . 1 1 23 23 SER N N 17 113.130 113.130 116.117 -2.987 18399 77 1 1 . 1 1 23 23 SER HA H 17 4.440 4.440 4.617 -0.177 18399 78 1 1 . 1 1 23 23 SER CA C 17 58.002 58.002 58.802 -0.800 18399 79 1 1 . 1 1 23 23 SER CB C 17 64.268 64.268 63.886 0.382 18399 80 1 1 . 1 1 23 23 SER H H 17 7.330 7.330 7.760 -0.430 18399 81 1 1 . 1 1 24 24 LEU N N 18 123.241 123.241 125.693 -2.452 18399 82 1 1 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.748 -0.009 18399 83 1 1 . 1 1 24 24 LEU CA C 18 53.858 53.858 54.138 -0.280 18399 84 1 1 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.685 -2.195 18399 85 1 1 . 1 1 24 24 LEU H H 18 8.728 8.728 8.092 0.636 18399 86 1 1 . 1 1 25 25 THR N N 19 111.915 111.915 115.146 -3.231 18399 87 1 1 . 1 1 25 25 THR HA H 19 4.816 4.816 4.361 0.455 18399 88 1 1 . 1 1 25 25 THR CA C 19 59.575 59.575 61.675 -2.100 18399 89 1 1 . 1 1 25 25 THR CB C 19 72.043 72.043 69.805 2.239 18399 90 1 1 . 1 1 25 25 THR H H 19 9.363 9.363 8.262 1.101 18399 91 1 1 . 1 1 26 26 ASP N N 20 117.183 117.183 117.406 -0.223 18399 92 1 1 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.628 -0.295 18399 93 1 1 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.533 2.196 18399 94 1 1 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.675 -2.293 18399 95 1 1 . 1 1 26 26 ASP H H 20 8.785 8.785 8.362 0.423 18399 96 1 1 . 1 1 27 27 ASP N N 21 116.327 116.327 119.283 -2.956 18399 97 1 1 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.599 0.075 18399 98 1 1 . 1 1 27 27 ASP CA C 21 54.770 54.770 55.724 -0.954 18399 99 1 1 . 1 1 27 27 ASP CB C 21 42.294 42.294 41.646 0.648 18399 100 1 1 . 1 1 27 27 ASP H H 21 7.775 7.775 8.166 -0.391 18399 101 1 1 . 1 1 28 28 ASN N N 22 117.269 117.269 113.545 3.724 18399 102 1 1 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.738 0.154 18399 103 1 1 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.666 1.144 18399 104 1 1 . 1 1 28 28 ASN CB C 22 41.101 41.101 39.781 1.320 18399 105 1 1 . 1 1 28 28 ASN H H 22 7.829 7.829 8.318 -0.489 18399 106 1 1 . 1 1 29 29 THR N N 23 108.639 108.639 114.281 -5.642 18399 107 1 1 . 1 1 29 29 THR HA H 23 5.206 5.206 3.918 1.288 18399 108 1 1 . 1 1 29 29 THR CA C 23 59.830 59.830 66.389 -6.559 18399 109 1 1 . 1 1 29 29 THR CB C 23 72.396 72.396 67.755 4.641 18399 110 1 1 . 1 1 29 29 THR H H 23 9.145 9.145 8.033 1.112 18399 111 1 1 . 1 1 30 30 ILE N N 24 120.336 120.336 122.850 -2.514 18399 112 1 1 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.883 -0.197 18399 113 1 1 . 1 1 30 30 ILE CA C 24 61.580 61.580 64.812 -3.232 18399 114 1 1 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.711 -4.367 18399 115 1 1 . 1 1 30 30 ILE H H 24 8.477 8.477 8.263 0.214 18399 116 1 1 . 1 1 31 31 ALA N N 25 123.489 123.489 122.760 0.729 18399 117 1 1 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.077 -0.206 18399 118 1 1 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.339 0.617 18399 119 1 1 . 1 1 31 31 ALA CB C 25 18.160 18.160 17.921 0.239 18399 120 1 1 . 1 1 31 31 ALA H H 25 8.951 8.951 7.723 1.228 18399 121 1 1 . 1 1 32 32 GLU N N 26 120.101 120.101 119.385 0.716 18399 122 1 1 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.169 -0.154 18399 123 1 1 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.271 0.080 18399 124 1 1 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.296 -0.574 18399 125 1 1 . 1 1 32 32 GLU H H 26 7.988 7.988 8.532 -0.544 18399 126 1 1 . 1 1 33 33 LEU N N 27 124.025 124.025 120.330 3.695 18399 127 1 1 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.100 -0.067 18399 128 1 1 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.755 0.907 18399 129 1 1 . 1 1 33 33 LEU CB C 27 40.157 40.157 41.721 -1.564 18399 130 1 1 . 1 1 33 33 LEU H H 27 8.083 8.083 7.591 0.492 18399 131 1 1 . 1 1 34 34 LYS N N 28 119.471 119.471 118.719 0.752 18399 132 1 1 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.180 -0.381 18399 133 1 1 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.645 1.865 18399 134 1 1 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.678 0.170 18399 135 1 1 . 1 1 34 34 LYS H H 28 8.746 8.746 8.656 0.090 18399 136 1 1 . 1 1 35 35 GLY N N 29 106.034 106.034 107.881 -1.847 18399 137 1 1 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.883 0.159 18399 138 1 1 . 1 1 35 35 GLY H H 29 8.096 8.096 8.417 -0.321 18399 139 1 1 . 1 1 36 36 LYS N N 30 121.196 121.196 122.339 -1.143 18399 140 1 1 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.211 0.026 18399 141 1 1 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.858 -1.516 18399 142 1 1 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.276 -1.743 18399 143 1 1 . 1 1 36 36 LYS H H 30 7.704 7.704 7.741 -0.037 18399 144 1 1 . 1 1 37 37 LEU N N 31 121.657 121.657 121.285 0.372 18399 145 1 1 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.146 0.149 18399 146 1 1 . 1 1 37 37 LEU CA C 31 57.282 57.282 57.759 -0.477 18399 147 1 1 . 1 1 37 37 LEU CB C 31 42.192 42.192 41.480 0.712 18399 148 1 1 . 1 1 37 37 LEU H H 31 7.948 7.948 7.946 0.002 18399 149 1 1 . 1 1 38 38 GLU N N 32 123.295 123.295 118.673 4.622 18399 150 1 1 . 1 1 38 38 GLU HA H 32 4.354 4.354 4.013 0.341 18399 151 1 1 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.943 0.361 18399 152 1 1 . 1 1 38 38 GLU CB C 32 29.339 29.339 28.955 0.384 18399 153 1 1 . 1 1 38 38 GLU H H 32 8.714 8.714 8.059 0.655 18399 154 1 1 . 1 1 39 39 GLU N N 33 118.296 118.296 119.881 -1.585 18399 155 1 1 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.085 -0.099 18399 156 1 1 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.906 0.236 18399 157 1 1 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.607 -0.005 18399 158 1 1 . 1 1 39 39 GLU H H 33 7.470 7.470 7.982 -0.512 18399 159 1 1 . 1 1 40 40 SER N N 34 112.266 112.266 114.752 -2.486 18399 160 1 1 . 1 1 40 40 SER CA C 34 61.150 61.150 61.027 0.123 18399 161 1 1 . 1 1 40 40 SER CB C 34 63.578 63.578 63.257 0.321 18399 162 1 1 . 1 1 40 40 SER H H 34 8.054 8.054 7.816 0.238 18399 163 1 1 . 1 1 41 41 GLU N N 35 116.449 116.449 120.299 -3.850 18399 164 1 1 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.371 -0.004 18399 165 1 1 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.508 -1.452 18399 166 1 1 . 1 1 41 41 GLU CB C 35 30.544 30.544 29.898 0.646 18399 167 1 1 . 1 1 41 41 GLU H H 35 8.908 8.908 7.821 1.087 18399 168 1 1 . 1 1 42 42 GLY N N 36 108.168 108.168 108.452 -0.284 18399 169 1 1 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.018 0.406 18399 170 1 1 . 1 1 42 42 GLY H H 36 7.930 7.930 7.673 0.257 18399 171 1 1 . 1 1 43 43 ILE N N 37 120.326 120.326 116.910 3.416 18399 172 1 1 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.544 -0.814 18399 173 1 1 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.810 1.409 18399 174 1 1 . 1 1 43 43 ILE H H 37 6.446 6.446 7.229 -0.783 18399 175 1 1 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.610 -0.434 18399 176 1 1 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.611 0.407 18399 177 1 1 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.579 -0.420 18399 178 1 1 . 1 1 45 45 GLY N N 39 111.710 111.710 110.412 1.298 18399 179 1 1 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.597 1.009 18399 180 1 1 . 1 1 45 45 GLY H H 39 9.228 9.228 8.606 0.622 18399 181 1 1 . 1 1 46 46 ASN N N 40 114.967 114.967 115.513 -0.546 18399 182 1 1 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.672 -0.160 18399 183 1 1 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.568 0.905 18399 184 1 1 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.543 -2.033 18399 185 1 1 . 1 1 46 46 ASN H H 40 8.325 8.325 7.950 0.375 18399 186 1 1 . 1 1 47 47 MET N N 41 118.446 118.446 119.046 -0.600 18399 187 1 1 . 1 1 47 47 MET HA H 41 4.557 4.557 4.535 0.022 18399 188 1 1 . 1 1 47 47 MET CA C 41 54.886 54.886 56.578 -1.692 18399 189 1 1 . 1 1 47 47 MET CB C 41 32.632 32.632 33.881 -1.249 18399 190 1 1 . 1 1 47 47 MET H H 41 8.247 8.247 7.990 0.257 18399 191 1 1 . 1 1 48 48 ILE N N 42 119.569 119.569 116.098 3.471 18399 192 1 1 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.747 0.349 18399 193 1 1 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.942 0.807 18399 194 1 1 . 1 1 48 48 ILE CB C 42 39.436 39.436 35.523 3.913 18399 195 1 1 . 1 1 48 48 ILE H H 42 7.422 7.422 7.956 -0.534 18399 196 1 1 . 1 1 49 49 ARG N N 43 127.179 127.179 122.057 5.122 18399 197 1 1 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.630 -0.050 18399 198 1 1 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.355 -0.393 18399 199 1 1 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.759 -1.730 18399 200 1 1 . 1 1 49 49 ARG H H 43 8.967 8.967 7.826 1.141 18399 201 1 1 . 1 1 50 50 LEU N N 44 122.639 122.639 122.108 0.531 18399 202 1 1 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.099 0.308 18399 203 1 1 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.353 -0.658 18399 204 1 1 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.765 2.890 18399 205 1 1 . 1 1 50 50 LEU H H 44 8.603 8.603 8.428 0.175 18399 206 1 1 . 1 1 51 51 VAL N N 45 121.931 121.931 118.532 3.399 18399 207 1 1 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.854 -0.146 18399 208 1 1 . 1 1 51 51 VAL CA C 45 60.583 60.583 60.343 0.241 18399 209 1 1 . 1 1 51 51 VAL CB C 45 34.601 34.601 32.499 2.102 18399 210 1 1 . 1 1 51 51 VAL H H 45 8.960 8.960 8.563 0.397 18399 211 1 1 . 1 1 52 52 TYR N N 46 126.384 126.384 128.351 -1.967 18399 212 1 1 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.790 0.299 18399 213 1 1 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.170 -0.095 18399 214 1 1 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.774 1.895 18399 215 1 1 . 1 1 52 52 TYR H H 46 8.879 8.879 8.875 0.004 18399 216 1 1 . 1 1 53 53 GLN N N 47 127.041 127.041 128.168 -1.127 18399 217 1 1 . 1 1 53 53 GLN HA H 47 3.656 3.656 3.981 -0.325 18399 218 1 1 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.512 -0.238 18399 219 1 1 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.695 -2.254 18399 220 1 1 . 1 1 53 53 GLN H H 47 9.323 9.323 9.498 -0.175 18399 221 1 1 . 1 1 54 54 GLY N N 48 102.991 102.991 102.260 0.731 18399 222 1 1 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.330 0.043 18399 223 1 1 . 1 1 54 54 GLY H H 48 8.358 8.358 8.610 -0.252 18399 224 1 1 . 1 1 55 55 LYS N N 49 121.595 121.595 121.245 0.350 18399 225 1 1 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.686 -0.069 18399 226 1 1 . 1 1 55 55 LYS CA C 49 54.340 54.340 54.587 -0.247 18399 227 1 1 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.531 -0.330 18399 228 1 1 . 1 1 55 55 LYS H H 49 7.819 7.819 7.996 -0.177 18399 229 1 1 . 1 1 56 56 GLN N N 50 122.484 122.484 119.452 3.032 18399 230 1 1 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.698 -0.113 18399 231 1 1 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.665 1.113 18399 232 1 1 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.750 -2.049 18399 233 1 1 . 1 1 56 56 GLN H H 50 8.757 8.757 8.397 0.360 18399 234 1 1 . 1 1 57 57 LEU N N 51 125.130 125.130 120.562 4.568 18399 235 1 1 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.030 0.270 18399 236 1 1 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.202 -1.062 18399 237 1 1 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.171 1.054 18399 238 1 1 . 1 1 57 57 LEU H H 51 8.442 8.442 8.852 -0.410 18399 239 1 1 . 1 1 58 58 GLU N N 52 122.551 122.551 120.656 1.895 18399 240 1 1 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.471 -0.012 18399 241 1 1 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.839 -0.729 18399 242 1 1 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.290 0.756 18399 243 1 1 . 1 1 58 58 GLU H H 52 8.125 8.125 8.670 -0.545 18399 244 1 1 . 1 1 59 59 ASP N N 53 122.235 122.235 122.202 0.033 18399 245 1 1 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.360 -0.215 18399 246 1 1 . 1 1 59 59 ASP CA C 53 57.699 57.699 57.675 0.024 18399 247 1 1 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.772 0.239 18399 248 1 1 . 1 1 59 59 ASP H H 53 8.346 8.346 8.753 -0.407 18399 249 1 1 . 1 1 60 60 GLU N N 54 113.128 113.128 117.153 -4.025 18399 250 1 1 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.105 0.210 18399 251 1 1 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.206 -0.870 18399 252 1 1 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.556 -0.514 18399 253 1 1 . 1 1 60 60 GLU H H 54 8.756 8.756 8.493 0.263 18399 254 1 1 . 1 1 61 61 LYS N N 55 119.869 119.869 119.092 0.777 18399 255 1 1 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.382 -0.131 18399 256 1 1 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.682 1.275 18399 257 1 1 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.414 1.530 18399 258 1 1 . 1 1 61 61 LYS H H 55 7.677 7.677 7.741 -0.064 18399 259 1 1 . 1 1 62 62 ARG N N 56 117.724 117.724 120.199 -2.475 18399 260 1 1 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.177 0.547 18399 261 1 1 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.731 2.389 18399 262 1 1 . 1 1 62 62 ARG H H 56 8.797 8.797 7.672 1.125 18399 263 1 1 . 1 1 63 63 LEU N N 57 123.223 123.223 121.779 1.444 18399 264 1 1 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.209 -0.171 18399 265 1 1 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.413 2.010 18399 266 1 1 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.689 -1.291 18399 267 1 1 . 1 1 63 63 LEU H H 57 8.728 8.728 8.420 0.308 18399 268 1 1 . 1 1 64 64 LYS N N 58 114.073 114.073 118.580 -4.507 18399 269 1 1 . 1 1 64 64 LYS HA H 58 4.409 4.409 3.991 0.418 18399 270 1 1 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.183 -1.349 18399 271 1 1 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.613 -0.489 18399 272 1 1 . 1 1 64 64 LYS H H 58 8.681 8.681 8.249 0.432 18399 273 1 1 . 1 1 65 65 ASP N N 59 120.640 120.640 118.927 1.713 18399 274 1 1 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.559 -0.140 18399 275 1 1 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.933 0.573 18399 276 1 1 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.845 -0.797 18399 277 1 1 . 1 1 65 65 ASP H H 59 7.862 7.862 8.197 -0.335 18399 278 1 1 . 1 1 66 66 TYR N N 60 117.775 117.775 120.967 -3.192 18399 279 1 1 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.311 0.305 18399 280 1 1 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.633 -2.483 18399 281 1 1 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.935 0.394 18399 282 1 1 . 1 1 66 66 TYR H H 60 7.545 7.545 8.086 -0.541 18399 283 1 1 . 1 1 67 67 GLN N N 61 117.450 117.450 117.760 -0.310 18399 284 1 1 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.071 0.112 18399 285 1 1 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.175 -0.557 18399 286 1 1 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.713 -2.135 18399 287 1 1 . 1 1 67 67 GLN H H 61 8.155 8.155 7.697 0.458 18399 288 1 1 . 1 1 68 68 MET N N 62 120.193 120.193 118.306 1.887 18399 289 1 1 . 1 1 68 68 MET HA H 62 4.470 4.470 4.366 0.104 18399 290 1 1 . 1 1 68 68 MET CA C 62 55.767 55.767 55.730 0.037 18399 291 1 1 . 1 1 68 68 MET CB C 62 33.105 33.105 32.706 0.399 18399 292 1 1 . 1 1 68 68 MET H H 62 7.997 7.997 7.430 0.567 18399 293 1 1 . 1 1 69 69 SER N N 63 116.722 116.722 112.367 4.355 18399 294 1 1 . 1 1 69 69 SER HA H 63 4.530 4.530 4.200 0.330 18399 295 1 1 . 1 1 69 69 SER CA C 63 57.654 57.654 59.665 -2.011 18399 296 1 1 . 1 1 69 69 SER CB C 63 64.803 64.803 62.190 2.613 18399 297 1 1 . 1 1 69 69 SER H H 63 8.073 8.073 8.635 -0.562 18399 298 1 1 . 1 1 70 70 ALA N N 64 123.286 123.286 120.380 2.906 18399 299 1 1 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.441 -0.185 18399 300 1 1 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.035 1.531 18399 301 1 1 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.229 -0.987 18399 302 1 1 . 1 1 70 70 ALA H H 64 8.492 8.492 8.051 0.441 18399 303 1 1 . 1 1 71 71 GLY N N 65 110.294 110.294 108.135 2.159 18399 304 1 1 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.875 0.252 18399 305 1 1 . 1 1 71 71 GLY H H 65 8.907 8.907 8.010 0.897 18399 306 1 1 . 1 1 72 72 ALA N N 66 123.229 123.229 128.626 -5.397 18399 307 1 1 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.186 0.102 18399 308 1 1 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.314 0.562 18399 309 1 1 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.477 0.348 18399 310 1 1 . 1 1 72 72 ALA H H 66 7.572 7.572 8.640 -1.068 18399 311 1 1 . 1 1 73 73 THR N N 67 116.161 116.161 114.799 1.362 18399 312 1 1 . 1 1 73 73 THR HA H 67 5.060 5.060 4.357 0.703 18399 313 1 1 . 1 1 73 73 THR CA C 67 61.493 61.493 60.675 0.818 18399 314 1 1 . 1 1 73 73 THR CB C 67 71.022 71.022 71.151 -0.129 18399 315 1 1 . 1 1 73 73 THR H H 67 8.253 8.253 8.594 -0.341 18399 316 1 1 . 1 1 74 74 PHE N N 68 124.518 124.518 126.121 -1.603 18399 317 1 1 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.261 0.108 18399 318 1 1 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.105 -2.092 18399 319 1 1 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.977 -1.084 18399 320 1 1 . 1 1 74 74 PHE H H 68 8.989 8.989 8.406 0.583 18399 321 1 1 . 1 1 75 75 HIS N N 69 120.835 120.835 127.088 -6.253 18399 322 1 1 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.802 0.344 18399 323 1 1 . 1 1 75 75 HIS CA C 69 56.131 56.131 55.114 1.016 18399 324 1 1 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.248 0.335 18399 325 1 1 . 1 1 75 75 HIS H H 69 9.300 9.300 8.670 0.630 18399 326 1 1 . 1 1 76 76 MET N N 70 122.731 122.731 123.028 -0.297 18399 327 1 1 . 1 1 76 76 MET HA H 70 5.199 5.199 4.603 0.596 18399 328 1 1 . 1 1 76 76 MET CA C 70 54.683 54.683 54.617 0.066 18399 329 1 1 . 1 1 76 76 MET CB C 70 35.426 35.426 35.714 -0.288 18399 330 1 1 . 1 1 76 76 MET H H 70 8.563 8.563 8.339 0.224 18399 331 1 1 . 1 1 77 77 VAL N N 71 128.801 128.801 125.773 3.028 18399 332 1 1 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.361 -0.084 18399 333 1 1 . 1 1 77 77 VAL CA C 71 61.343 61.343 61.034 0.309 18399 334 1 1 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.770 0.886 18399 335 1 1 . 1 1 77 77 VAL H H 71 9.118 9.118 8.401 0.717 18399 336 1 1 . 1 1 78 78 VAL N N 72 125.528 125.528 130.039 -4.511 18399 337 1 1 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.349 0.269 18399 338 1 1 . 1 1 78 78 VAL CA C 72 61.485 61.485 60.523 0.962 18399 339 1 1 . 1 1 78 78 VAL CB C 72 32.311 32.311 32.700 -0.389 18399 340 1 1 . 1 1 78 78 VAL H H 72 8.544 8.544 8.289 0.255 18399 341 1 1 . 1 1 79 79 ALA N N 73 131.664 131.664 132.218 -0.554 18399 342 1 1 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.954 -0.631 18399 343 1 1 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.407 0.339 18399 344 1 1 . 1 1 79 79 ALA CB C 73 19.445 19.445 19.039 0.406 18399 345 1 1 . 1 1 79 79 ALA H H 73 8.957 8.957 8.181 0.776 18399 346 1 1 . 1 1 80 80 LEU N N 74 120.722 120.722 119.499 1.223 18399 347 1 1 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.693 -0.414 18399 348 1 1 . 1 1 80 80 LEU CA C 74 55.191 55.191 54.760 0.431 18399 349 1 1 . 1 1 80 80 LEU CB C 74 42.356 42.356 41.406 0.950 18399 350 1 1 . 1 1 80 80 LEU H H 74 8.193 8.193 8.357 -0.164 18399 351 1 1 . 1 1 81 81 ARG N N 75 121.022 121.022 121.654 -0.632 18399 352 1 1 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.275 0.019 18399 353 1 1 . 1 1 81 81 ARG CA C 75 55.604 55.604 57.452 -1.847 18399 354 1 1 . 1 1 81 81 ARG CB C 75 30.856 30.856 30.772 0.084 18399 355 1 1 . 1 1 81 81 ARG H H 75 8.207 8.207 8.127 0.080 18399 356 1 1 . 1 1 82 82 ALA N N 76 125.815 125.815 118.533 7.282 18399 357 1 1 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.385 -0.107 18399 358 1 1 . 1 1 82 82 ALA CA C 76 52.478 52.478 52.369 0.109 18399 359 1 1 . 1 1 82 82 ALA CB C 76 18.813 18.813 19.944 -1.131 18399 360 1 1 . 1 1 82 82 ALA H H 76 8.471 8.471 7.671 0.800 18399 361 1 1 . 1 1 83 83 GLY N N 77 109.110 109.110 108.427 0.683 18399 362 1 1 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.332 0.004 18399 363 1 1 . 1 1 83 83 GLY H H 77 8.506 8.506 8.844 -0.338 18399 364 1 2 . 1 1 8 8 LEU N N 2 125.142 125.142 121.813 3.329 18399 365 1 2 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.106 -0.632 18399 366 1 2 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.894 1.381 18399 367 1 2 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.613 -1.711 18399 368 1 2 . 1 1 8 8 LEU H H 2 8.251 8.251 7.697 0.554 18399 369 1 2 . 1 1 9 9 LEU N N 3 126.326 126.326 121.498 4.828 18399 370 1 2 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.930 -0.134 18399 371 1 2 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.270 -0.227 18399 372 1 2 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.022 -1.514 18399 373 1 2 . 1 1 9 9 LEU H H 3 8.307 8.307 8.137 0.170 18399 374 1 2 . 1 1 10 10 LYS N N 4 121.349 121.349 123.417 -2.068 18399 375 1 2 . 1 1 10 10 LYS HA H 4 5.080 5.080 4.996 0.084 18399 376 1 2 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.831 -0.199 18399 377 1 2 . 1 1 10 10 LYS CB C 4 34.425 34.425 33.900 0.525 18399 378 1 2 . 1 1 10 10 LYS H H 4 8.428 8.428 8.437 -0.009 18399 379 1 2 . 1 1 11 11 VAL N N 5 122.408 122.408 122.672 -0.264 18399 380 1 2 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.923 -0.235 18399 381 1 2 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.898 0.428 18399 382 1 2 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.834 0.997 18399 383 1 2 . 1 1 11 11 VAL H H 5 9.088 9.088 8.361 0.727 18399 384 1 2 . 1 1 12 12 LYS N N 6 127.778 127.778 126.282 1.496 18399 385 1 2 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.309 0.043 18399 386 1 2 . 1 1 12 12 LYS CA C 6 54.675 54.675 53.859 0.816 18399 387 1 2 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.265 -1.081 18399 388 1 2 . 1 1 12 12 LYS H H 6 9.029 9.029 8.602 0.427 18399 389 1 2 . 1 1 13 13 THR N N 7 116.723 116.723 118.432 -1.709 18399 390 1 2 . 1 1 13 13 THR HA H 7 4.860 4.860 4.745 0.115 18399 391 1 2 . 1 1 13 13 THR CA C 7 60.392 60.392 60.161 0.231 18399 392 1 2 . 1 1 13 13 THR CB C 7 71.189 71.189 69.875 1.314 18399 393 1 2 . 1 1 13 13 THR H H 7 8.790 8.790 8.480 0.310 18399 394 1 2 . 1 1 14 14 VAL N N 8 119.340 119.340 121.615 -2.275 18399 395 1 2 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.111 -0.008 18399 396 1 2 . 1 1 14 14 VAL CA C 8 64.712 64.712 63.505 1.206 18399 397 1 2 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.542 -0.382 18399 398 1 2 . 1 1 14 14 VAL H H 8 8.872 8.872 8.515 0.357 18399 399 1 2 . 1 1 15 15 SER N N 9 114.630 114.630 114.054 0.576 18399 400 1 2 . 1 1 15 15 SER HA H 9 4.513 4.513 4.507 0.006 18399 401 1 2 . 1 1 15 15 SER CA C 9 57.913 57.913 58.204 -0.291 18399 402 1 2 . 1 1 15 15 SER CB C 9 63.243 63.243 62.853 0.390 18399 403 1 2 . 1 1 15 15 SER H H 9 7.859 7.859 8.091 -0.232 18399 404 1 2 . 1 1 16 16 ASN N N 10 115.509 115.509 117.399 -1.890 18399 405 1 2 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.438 -0.246 18399 406 1 2 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.422 0.539 18399 407 1 2 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.195 -0.900 18399 408 1 2 . 1 1 16 16 ASN H H 10 8.229 8.229 7.921 0.308 18399 409 1 2 . 1 1 17 17 LYS N N 11 120.345 120.345 119.599 0.746 18399 410 1 2 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.492 -0.237 18399 411 1 2 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.175 1.172 18399 412 1 2 . 1 1 17 17 LYS CB C 11 32.936 32.936 33.070 -0.134 18399 413 1 2 . 1 1 17 17 LYS H H 11 7.315 7.315 7.566 -0.251 18399 414 1 2 . 1 1 18 18 VAL N N 12 125.270 125.270 125.225 0.045 18399 415 1 2 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.429 0.208 18399 416 1 2 . 1 1 18 18 VAL CA C 12 61.749 61.749 62.028 -0.279 18399 417 1 2 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.971 -0.779 18399 418 1 2 . 1 1 18 18 VAL H H 12 8.576 8.576 8.327 0.249 18399 419 1 2 . 1 1 19 19 ILE N N 13 130.928 130.928 128.115 2.813 18399 420 1 2 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.398 -0.245 18399 421 1 2 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.551 0.894 18399 422 1 2 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.450 0.745 18399 423 1 2 . 1 1 19 19 ILE H H 13 9.486 9.486 8.813 0.673 18399 424 1 2 . 1 1 20 20 GLN N N 14 124.762 124.762 127.013 -2.251 18399 425 1 2 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.813 0.249 18399 426 1 2 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.563 0.232 18399 427 1 2 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.229 0.372 18399 428 1 2 . 1 1 20 20 GLN H H 14 8.803 8.803 8.496 0.307 18399 429 1 2 . 1 1 21 21 ILE N N 15 126.010 126.010 121.106 4.904 18399 430 1 2 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.592 -0.079 18399 431 1 2 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.621 0.018 18399 432 1 2 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.349 -1.178 18399 433 1 2 . 1 1 21 21 ILE H H 15 9.076 9.076 8.108 0.968 18399 434 1 2 . 1 1 22 22 THR N N 16 118.074 118.074 117.279 0.795 18399 435 1 2 . 1 1 22 22 THR HA H 16 4.904 4.904 4.545 0.359 18399 436 1 2 . 1 1 22 22 THR CA C 16 61.462 61.462 61.697 -0.235 18399 437 1 2 . 1 1 22 22 THR CB C 16 69.657 69.657 68.225 1.432 18399 438 1 2 . 1 1 22 22 THR H H 16 9.047 9.047 8.489 0.558 18399 439 1 2 . 1 1 23 23 SER N N 17 113.130 113.130 117.814 -4.684 18399 440 1 2 . 1 1 23 23 SER HA H 17 4.440 4.440 4.607 -0.167 18399 441 1 2 . 1 1 23 23 SER CA C 17 58.002 58.002 58.561 -0.559 18399 442 1 2 . 1 1 23 23 SER CB C 17 64.268 64.268 63.623 0.645 18399 443 1 2 . 1 1 23 23 SER H H 17 7.330 7.330 8.304 -0.974 18399 444 1 2 . 1 1 24 24 LEU N N 18 123.241 123.241 124.679 -1.438 18399 445 1 2 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.838 -0.099 18399 446 1 2 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.740 0.118 18399 447 1 2 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.944 -2.454 18399 448 1 2 . 1 1 24 24 LEU H H 18 8.728 8.728 7.878 0.850 18399 449 1 2 . 1 1 25 25 THR N N 19 111.915 111.915 115.814 -3.899 18399 450 1 2 . 1 1 25 25 THR HA H 19 4.816 4.816 4.463 0.353 18399 451 1 2 . 1 1 25 25 THR CA C 19 59.575 59.575 61.835 -2.260 18399 452 1 2 . 1 1 25 25 THR CB C 19 72.043 72.043 69.851 2.192 18399 453 1 2 . 1 1 25 25 THR H H 19 9.363 9.363 8.400 0.963 18399 454 1 2 . 1 1 26 26 ASP N N 20 117.183 117.183 117.196 -0.013 18399 455 1 2 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.792 -0.459 18399 456 1 2 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.478 2.251 18399 457 1 2 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.359 -1.977 18399 458 1 2 . 1 1 26 26 ASP H H 20 8.785 8.785 8.476 0.309 18399 459 1 2 . 1 1 27 27 ASP N N 21 116.327 116.327 118.801 -2.474 18399 460 1 2 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.593 0.081 18399 461 1 2 . 1 1 27 27 ASP CA C 21 54.770 54.770 55.304 -0.534 18399 462 1 2 . 1 1 27 27 ASP CB C 21 42.294 42.294 41.662 0.632 18399 463 1 2 . 1 1 27 27 ASP H H 21 7.775 7.775 8.110 -0.335 18399 464 1 2 . 1 1 28 28 ASN N N 22 117.269 117.269 114.076 3.193 18399 465 1 2 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.795 0.097 18399 466 1 2 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.730 1.080 18399 467 1 2 . 1 1 28 28 ASN CB C 22 41.101 41.101 39.854 1.247 18399 468 1 2 . 1 1 28 28 ASN H H 22 7.829 7.829 8.162 -0.333 18399 469 1 2 . 1 1 29 29 THR N N 23 108.639 108.639 114.142 -5.503 18399 470 1 2 . 1 1 29 29 THR HA H 23 5.206 5.206 3.897 1.309 18399 471 1 2 . 1 1 29 29 THR CA C 23 59.830 59.830 66.453 -6.623 18399 472 1 2 . 1 1 29 29 THR CB C 23 72.396 72.396 67.540 4.856 18399 473 1 2 . 1 1 29 29 THR H H 23 9.145 9.145 8.030 1.115 18399 474 1 2 . 1 1 30 30 ILE N N 24 120.336 120.336 123.008 -2.672 18399 475 1 2 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.845 -0.159 18399 476 1 2 . 1 1 30 30 ILE CA C 24 61.580 61.580 64.928 -3.348 18399 477 1 2 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.698 -4.354 18399 478 1 2 . 1 1 30 30 ILE H H 24 8.477 8.477 8.246 0.231 18399 479 1 2 . 1 1 31 31 ALA N N 25 123.489 123.489 122.591 0.898 18399 480 1 2 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.182 -0.311 18399 481 1 2 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.323 0.633 18399 482 1 2 . 1 1 31 31 ALA CB C 25 18.160 18.160 18.145 0.015 18399 483 1 2 . 1 1 31 31 ALA H H 25 8.951 8.951 7.704 1.247 18399 484 1 2 . 1 1 32 32 GLU N N 26 120.101 120.101 119.106 0.995 18399 485 1 2 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.156 -0.141 18399 486 1 2 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.116 0.235 18399 487 1 2 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.248 -0.526 18399 488 1 2 . 1 1 32 32 GLU H H 26 7.988 7.988 8.563 -0.575 18399 489 1 2 . 1 1 33 33 LEU N N 27 124.025 124.025 120.270 3.755 18399 490 1 2 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.021 0.012 18399 491 1 2 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.782 0.880 18399 492 1 2 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.193 -2.036 18399 493 1 2 . 1 1 33 33 LEU H H 27 8.083 8.083 7.657 0.426 18399 494 1 2 . 1 1 34 34 LYS N N 28 119.471 119.471 118.447 1.024 18399 495 1 2 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.119 -0.320 18399 496 1 2 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.654 1.855 18399 497 1 2 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.795 0.053 18399 498 1 2 . 1 1 34 34 LYS H H 28 8.746 8.746 8.677 0.069 18399 499 1 2 . 1 1 35 35 GLY N N 29 106.034 106.034 107.888 -1.854 18399 500 1 2 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.870 0.172 18399 501 1 2 . 1 1 35 35 GLY H H 29 8.096 8.096 8.413 -0.317 18399 502 1 2 . 1 1 36 36 LYS N N 30 121.196 121.196 122.490 -1.294 18399 503 1 2 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.147 0.090 18399 504 1 2 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.988 -1.646 18399 505 1 2 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.336 -1.803 18399 506 1 2 . 1 1 36 36 LYS H H 30 7.704 7.704 7.771 -0.067 18399 507 1 2 . 1 1 37 37 LEU N N 31 121.657 121.657 121.151 0.506 18399 508 1 2 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.062 0.233 18399 509 1 2 . 1 1 37 37 LEU CA C 31 57.282 57.282 57.860 -0.578 18399 510 1 2 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.240 -0.048 18399 511 1 2 . 1 1 37 37 LEU H H 31 7.948 7.948 8.045 -0.097 18399 512 1 2 . 1 1 38 38 GLU N N 32 123.295 123.295 118.459 4.836 18399 513 1 2 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.978 0.376 18399 514 1 2 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.849 0.455 18399 515 1 2 . 1 1 38 38 GLU CB C 32 29.339 29.339 29.023 0.317 18399 516 1 2 . 1 1 38 38 GLU H H 32 8.714 8.714 8.160 0.554 18399 517 1 2 . 1 1 39 39 GLU N N 33 118.296 118.296 119.964 -1.668 18399 518 1 2 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.086 -0.100 18399 519 1 2 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.833 0.309 18399 520 1 2 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.574 0.028 18399 521 1 2 . 1 1 39 39 GLU H H 33 7.470 7.470 7.905 -0.435 18399 522 1 2 . 1 1 40 40 SER N N 34 112.266 112.266 114.570 -2.304 18399 523 1 2 . 1 1 40 40 SER CA C 34 61.150 61.150 61.022 0.128 18399 524 1 2 . 1 1 40 40 SER CB C 34 63.578 63.578 63.248 0.330 18399 525 1 2 . 1 1 40 40 SER H H 34 8.054 8.054 7.812 0.242 18399 526 1 2 . 1 1 41 41 GLU N N 35 116.449 116.449 119.900 -3.451 18399 527 1 2 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.384 -0.017 18399 528 1 2 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.405 -1.349 18399 529 1 2 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.206 0.339 18399 530 1 2 . 1 1 41 41 GLU H H 35 8.908 8.908 7.784 1.124 18399 531 1 2 . 1 1 42 42 GLY N N 36 108.168 108.168 108.838 -0.670 18399 532 1 2 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.071 0.353 18399 533 1 2 . 1 1 42 42 GLY H H 36 7.930 7.930 8.049 -0.119 18399 534 1 2 . 1 1 43 43 ILE N N 37 120.326 120.326 116.843 3.483 18399 535 1 2 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.526 -0.796 18399 536 1 2 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.346 1.873 18399 537 1 2 . 1 1 43 43 ILE H H 37 6.446 6.446 7.239 -0.793 18399 538 1 2 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.619 -0.443 18399 539 1 2 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.585 0.433 18399 540 1 2 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.677 -0.518 18399 541 1 2 . 1 1 45 45 GLY N N 39 111.710 111.710 110.324 1.386 18399 542 1 2 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.818 0.788 18399 543 1 2 . 1 1 45 45 GLY H H 39 9.228 9.228 8.777 0.451 18399 544 1 2 . 1 1 46 46 ASN N N 40 114.967 114.967 113.809 1.158 18399 545 1 2 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.711 -0.199 18399 546 1 2 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.544 0.929 18399 547 1 2 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.557 -2.047 18399 548 1 2 . 1 1 46 46 ASN H H 40 8.325 8.325 7.910 0.415 18399 549 1 2 . 1 1 47 47 MET N N 41 118.446 118.446 118.772 -0.326 18399 550 1 2 . 1 1 47 47 MET HA H 41 4.557 4.557 4.537 0.020 18399 551 1 2 . 1 1 47 47 MET CA C 41 54.886 54.886 56.192 -1.306 18399 552 1 2 . 1 1 47 47 MET CB C 41 32.632 32.632 33.959 -1.327 18399 553 1 2 . 1 1 47 47 MET H H 41 8.247 8.247 7.914 0.333 18399 554 1 2 . 1 1 48 48 ILE N N 42 119.569 119.569 116.218 3.351 18399 555 1 2 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.796 0.300 18399 556 1 2 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.767 0.982 18399 557 1 2 . 1 1 48 48 ILE CB C 42 39.436 39.436 34.738 4.698 18399 558 1 2 . 1 1 48 48 ILE H H 42 7.422 7.422 7.920 -0.498 18399 559 1 2 . 1 1 49 49 ARG N N 43 127.179 127.179 121.524 5.655 18399 560 1 2 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.559 0.021 18399 561 1 2 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.503 -0.541 18399 562 1 2 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.916 -1.887 18399 563 1 2 . 1 1 49 49 ARG H H 43 8.967 8.967 7.965 1.002 18399 564 1 2 . 1 1 50 50 LEU N N 44 122.639 122.639 121.923 0.716 18399 565 1 2 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.068 0.339 18399 566 1 2 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.127 -0.432 18399 567 1 2 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.928 2.728 18399 568 1 2 . 1 1 50 50 LEU H H 44 8.603 8.603 8.421 0.182 18399 569 1 2 . 1 1 51 51 VAL N N 45 121.931 121.931 118.803 3.128 18399 570 1 2 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.804 -0.096 18399 571 1 2 . 1 1 51 51 VAL CA C 45 60.583 60.583 61.150 -0.567 18399 572 1 2 . 1 1 51 51 VAL CB C 45 34.601 34.601 33.344 1.257 18399 573 1 2 . 1 1 51 51 VAL H H 45 8.960 8.960 8.507 0.453 18399 574 1 2 . 1 1 52 52 TYR N N 46 126.384 126.384 128.579 -2.195 18399 575 1 2 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.788 0.301 18399 576 1 2 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.177 -0.102 18399 577 1 2 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.916 1.753 18399 578 1 2 . 1 1 52 52 TYR H H 46 8.879 8.879 8.910 -0.031 18399 579 1 2 . 1 1 53 53 GLN N N 47 127.041 127.041 128.158 -1.117 18399 580 1 2 . 1 1 53 53 GLN HA H 47 3.656 3.656 3.975 -0.319 18399 581 1 2 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.784 -0.510 18399 582 1 2 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.771 -2.330 18399 583 1 2 . 1 1 53 53 GLN H H 47 9.323 9.323 9.524 -0.201 18399 584 1 2 . 1 1 54 54 GLY N N 48 102.991 102.991 102.567 0.424 18399 585 1 2 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.334 0.040 18399 586 1 2 . 1 1 54 54 GLY H H 48 8.358 8.358 8.648 -0.290 18399 587 1 2 . 1 1 55 55 LYS N N 49 121.595 121.595 121.174 0.421 18399 588 1 2 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.676 -0.059 18399 589 1 2 . 1 1 55 55 LYS CA C 49 54.340 54.340 54.591 -0.251 18399 590 1 2 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.485 -0.284 18399 591 1 2 . 1 1 55 55 LYS H H 49 7.819 7.819 8.001 -0.182 18399 592 1 2 . 1 1 56 56 GLN N N 50 122.484 122.484 119.734 2.750 18399 593 1 2 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.703 -0.118 18399 594 1 2 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.623 1.155 18399 595 1 2 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.888 -2.187 18399 596 1 2 . 1 1 56 56 GLN H H 50 8.757 8.757 8.446 0.311 18399 597 1 2 . 1 1 57 57 LEU N N 51 125.130 125.130 119.727 5.403 18399 598 1 2 . 1 1 57 57 LEU HA H 51 4.300 4.300 3.985 0.315 18399 599 1 2 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.216 -1.077 18399 600 1 2 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.299 0.926 18399 601 1 2 . 1 1 57 57 LEU H H 51 8.442 8.442 8.902 -0.460 18399 602 1 2 . 1 1 58 58 GLU N N 52 122.551 122.551 121.306 1.245 18399 603 1 2 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.496 -0.037 18399 604 1 2 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.601 -0.491 18399 605 1 2 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.222 0.824 18399 606 1 2 . 1 1 58 58 GLU H H 52 8.125 8.125 8.811 -0.686 18399 607 1 2 . 1 1 59 59 ASP N N 53 122.235 122.235 121.951 0.284 18399 608 1 2 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.377 -0.232 18399 609 1 2 . 1 1 59 59 ASP CA C 53 57.699 57.699 57.713 -0.014 18399 610 1 2 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.871 0.140 18399 611 1 2 . 1 1 59 59 ASP H H 53 8.346 8.346 8.627 -0.281 18399 612 1 2 . 1 1 60 60 GLU N N 54 113.128 113.128 116.898 -3.770 18399 613 1 2 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.148 0.167 18399 614 1 2 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.391 -1.055 18399 615 1 2 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.534 -0.492 18399 616 1 2 . 1 1 60 60 GLU H H 54 8.756 8.756 8.556 0.200 18399 617 1 2 . 1 1 61 61 LYS N N 55 119.869 119.869 119.538 0.331 18399 618 1 2 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.426 -0.175 18399 619 1 2 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.569 1.388 18399 620 1 2 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.458 1.486 18399 621 1 2 . 1 1 61 61 LYS H H 55 7.677 7.677 7.729 -0.052 18399 622 1 2 . 1 1 62 62 ARG N N 56 117.724 117.724 120.224 -2.500 18399 623 1 2 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.182 0.542 18399 624 1 2 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.731 2.389 18399 625 1 2 . 1 1 62 62 ARG H H 56 8.797 8.797 7.682 1.115 18399 626 1 2 . 1 1 63 63 LEU N N 57 123.223 123.223 121.743 1.480 18399 627 1 2 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.227 -0.189 18399 628 1 2 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.336 2.088 18399 629 1 2 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.701 -1.303 18399 630 1 2 . 1 1 63 63 LEU H H 57 8.728 8.728 8.420 0.308 18399 631 1 2 . 1 1 64 64 LYS N N 58 114.073 114.073 118.496 -4.423 18399 632 1 2 . 1 1 64 64 LYS HA H 58 4.409 4.409 4.000 0.409 18399 633 1 2 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.077 -1.243 18399 634 1 2 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.600 -0.476 18399 635 1 2 . 1 1 64 64 LYS H H 58 8.681 8.681 8.273 0.408 18399 636 1 2 . 1 1 65 65 ASP N N 59 120.640 120.640 118.702 1.938 18399 637 1 2 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.538 -0.119 18399 638 1 2 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.729 0.777 18399 639 1 2 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.982 -0.934 18399 640 1 2 . 1 1 65 65 ASP H H 59 7.862 7.862 8.082 -0.220 18399 641 1 2 . 1 1 66 66 TYR N N 60 117.775 117.775 119.828 -2.053 18399 642 1 2 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.220 0.396 18399 643 1 2 . 1 1 66 66 TYR CA C 60 58.150 58.150 61.015 -2.865 18399 644 1 2 . 1 1 66 66 TYR CB C 60 39.329 39.329 39.239 0.090 18399 645 1 2 . 1 1 66 66 TYR H H 60 7.545 7.545 7.973 -0.428 18399 646 1 2 . 1 1 67 67 GLN N N 61 117.450 117.450 116.898 0.552 18399 647 1 2 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.123 0.060 18399 648 1 2 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.276 -0.659 18399 649 1 2 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.408 -1.830 18399 650 1 2 . 1 1 67 67 GLN H H 61 8.155 8.155 8.013 0.142 18399 651 1 2 . 1 1 68 68 MET N N 62 120.193 120.193 118.029 2.164 18399 652 1 2 . 1 1 68 68 MET HA H 62 4.470 4.470 4.404 0.066 18399 653 1 2 . 1 1 68 68 MET CA C 62 55.767 55.767 55.947 -0.180 18399 654 1 2 . 1 1 68 68 MET CB C 62 33.105 33.105 32.579 0.526 18399 655 1 2 . 1 1 68 68 MET H H 62 7.997 7.997 7.392 0.605 18399 656 1 2 . 1 1 69 69 SER N N 63 116.722 116.722 111.726 4.996 18399 657 1 2 . 1 1 69 69 SER HA H 63 4.530 4.530 4.193 0.337 18399 658 1 2 . 1 1 69 69 SER CA C 63 57.654 57.654 59.501 -1.847 18399 659 1 2 . 1 1 69 69 SER CB C 63 64.803 64.803 62.010 2.793 18399 660 1 2 . 1 1 69 69 SER H H 63 8.073 8.073 8.575 -0.502 18399 661 1 2 . 1 1 70 70 ALA N N 64 123.286 123.286 119.316 3.970 18399 662 1 2 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.503 -0.247 18399 663 1 2 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.247 1.319 18399 664 1 2 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.523 -1.281 18399 665 1 2 . 1 1 70 70 ALA H H 64 8.492 8.492 7.946 0.546 18399 666 1 2 . 1 1 71 71 GLY N N 65 110.294 110.294 108.117 2.177 18399 667 1 2 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.602 0.524 18399 668 1 2 . 1 1 71 71 GLY H H 65 8.907 8.907 8.049 0.858 18399 669 1 2 . 1 1 72 72 ALA N N 66 123.229 123.229 129.234 -6.005 18399 670 1 2 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.223 0.066 18399 671 1 2 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.263 0.613 18399 672 1 2 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.459 0.367 18399 673 1 2 . 1 1 72 72 ALA H H 66 7.572 7.572 8.717 -1.145 18399 674 1 2 . 1 1 73 73 THR N N 67 116.161 116.161 114.763 1.398 18399 675 1 2 . 1 1 73 73 THR HA H 67 5.060 5.060 4.397 0.663 18399 676 1 2 . 1 1 73 73 THR CA C 67 61.493 61.493 60.266 1.227 18399 677 1 2 . 1 1 73 73 THR CB C 67 71.022 71.022 71.186 -0.164 18399 678 1 2 . 1 1 73 73 THR H H 67 8.253 8.253 8.686 -0.433 18399 679 1 2 . 1 1 74 74 PHE N N 68 124.518 124.518 126.149 -1.631 18399 680 1 2 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.210 0.159 18399 681 1 2 . 1 1 74 74 PHE CA C 68 54.013 54.013 55.957 -1.944 18399 682 1 2 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.306 -0.413 18399 683 1 2 . 1 1 74 74 PHE H H 68 8.989 8.989 8.449 0.540 18399 684 1 2 . 1 1 75 75 HIS N N 69 120.835 120.835 126.654 -5.819 18399 685 1 2 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.738 0.408 18399 686 1 2 . 1 1 75 75 HIS CA C 69 56.131 56.131 54.615 1.516 18399 687 1 2 . 1 1 75 75 HIS CB C 69 31.584 31.584 32.106 -0.522 18399 688 1 2 . 1 1 75 75 HIS H H 69 9.300 9.300 8.806 0.494 18399 689 1 2 . 1 1 76 76 MET N N 70 122.731 122.731 123.193 -0.462 18399 690 1 2 . 1 1 76 76 MET HA H 70 5.199 5.199 4.496 0.703 18399 691 1 2 . 1 1 76 76 MET CA C 70 54.683 54.683 54.509 0.174 18399 692 1 2 . 1 1 76 76 MET CB C 70 35.426 35.426 35.375 0.051 18399 693 1 2 . 1 1 76 76 MET H H 70 8.563 8.563 8.389 0.174 18399 694 1 2 . 1 1 77 77 VAL N N 71 128.801 128.801 125.942 2.859 18399 695 1 2 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.343 -0.066 18399 696 1 2 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.389 0.954 18399 697 1 2 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.725 0.931 18399 698 1 2 . 1 1 77 77 VAL H H 71 9.118 9.118 8.445 0.673 18399 699 1 2 . 1 1 78 78 VAL N N 72 125.528 125.528 129.360 -3.832 18399 700 1 2 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.311 0.307 18399 701 1 2 . 1 1 78 78 VAL CA C 72 61.485 61.485 60.829 0.656 18399 702 1 2 . 1 1 78 78 VAL CB C 72 32.311 32.311 32.230 0.081 18399 703 1 2 . 1 1 78 78 VAL H H 72 8.544 8.544 8.322 0.222 18399 704 1 2 . 1 1 79 79 ALA N N 73 131.664 131.664 131.447 0.217 18399 705 1 2 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.640 -0.317 18399 706 1 2 . 1 1 79 79 ALA CA C 73 51.746 51.746 50.812 0.934 18399 707 1 2 . 1 1 79 79 ALA CB C 73 19.445 19.445 19.365 0.080 18399 708 1 2 . 1 1 79 79 ALA H H 73 8.957 8.957 8.314 0.643 18399 709 1 2 . 1 1 80 80 LEU N N 74 120.722 120.722 122.426 -1.704 18399 710 1 2 . 1 1 80 80 LEU HA H 74 4.279 4.279 3.961 0.318 18399 711 1 2 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.436 -0.245 18399 712 1 2 . 1 1 80 80 LEU CB C 74 42.356 42.356 41.227 1.129 18399 713 1 2 . 1 1 80 80 LEU H H 74 8.193 8.193 8.619 -0.426 18399 714 1 2 . 1 1 81 81 ARG N N 75 121.022 121.022 121.014 0.008 18399 715 1 2 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.385 -0.091 18399 716 1 2 . 1 1 81 81 ARG CA C 75 55.604 55.604 55.724 -0.120 18399 717 1 2 . 1 1 81 81 ARG CB C 75 30.856 30.856 31.192 -0.336 18399 718 1 2 . 1 1 81 81 ARG H H 75 8.207 8.207 8.121 0.086 18399 719 1 2 . 1 1 82 82 ALA N N 76 125.815 125.815 121.409 4.406 18399 720 1 2 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.157 0.121 18399 721 1 2 . 1 1 82 82 ALA CA C 76 52.478 52.478 52.214 0.264 18399 722 1 2 . 1 1 82 82 ALA CB C 76 18.813 18.813 18.525 0.288 18399 723 1 2 . 1 1 82 82 ALA H H 76 8.471 8.471 7.915 0.556 18399 724 1 2 . 1 1 83 83 GLY N N 77 109.110 109.110 106.247 2.863 18399 725 1 2 . 1 1 83 83 GLY CA C 77 45.336 45.336 46.839 -1.503 18399 726 1 2 . 1 1 83 83 GLY H H 77 8.506 8.506 9.772 -1.266 18399 727 1 3 . 1 1 8 8 LEU N N 2 125.142 125.142 121.482 3.660 18399 728 1 3 . 1 1 8 8 LEU HA H 2 4.474 4.474 4.961 -0.487 18399 729 1 3 . 1 1 8 8 LEU CA C 2 55.275 55.275 54.075 1.200 18399 730 1 3 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.329 -1.427 18399 731 1 3 . 1 1 8 8 LEU H H 2 8.251 8.251 7.742 0.510 18399 732 1 3 . 1 1 9 9 LEU N N 3 126.326 126.326 121.889 4.437 18399 733 1 3 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.934 -0.138 18399 734 1 3 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.320 -0.277 18399 735 1 3 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.033 -1.525 18399 736 1 3 . 1 1 9 9 LEU H H 3 8.307 8.307 7.920 0.387 18399 737 1 3 . 1 1 10 10 LYS N N 4 121.349 121.349 123.700 -2.351 18399 738 1 3 . 1 1 10 10 LYS HA H 4 5.080 5.080 5.097 -0.017 18399 739 1 3 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.681 -0.049 18399 740 1 3 . 1 1 10 10 LYS CB C 4 34.425 34.425 33.945 0.480 18399 741 1 3 . 1 1 10 10 LYS H H 4 8.428 8.428 8.566 -0.138 18399 742 1 3 . 1 1 11 11 VAL N N 5 122.408 122.408 123.174 -0.766 18399 743 1 3 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.816 -0.128 18399 744 1 3 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.392 0.934 18399 745 1 3 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.361 1.468 18399 746 1 3 . 1 1 11 11 VAL H H 5 9.088 9.088 8.359 0.729 18399 747 1 3 . 1 1 12 12 LYS N N 6 127.778 127.778 124.965 2.813 18399 748 1 3 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.078 0.274 18399 749 1 3 . 1 1 12 12 LYS CA C 6 54.675 54.675 53.575 1.100 18399 750 1 3 . 1 1 12 12 LYS CB C 6 34.184 34.184 34.584 -0.400 18399 751 1 3 . 1 1 12 12 LYS H H 6 9.029 9.029 8.370 0.659 18399 752 1 3 . 1 1 13 13 THR N N 7 116.723 116.723 114.588 2.135 18399 753 1 3 . 1 1 13 13 THR HA H 7 4.860 4.860 4.648 0.212 18399 754 1 3 . 1 1 13 13 THR CA C 7 60.392 60.392 59.819 0.573 18399 755 1 3 . 1 1 13 13 THR CB C 7 71.189 71.189 70.934 0.255 18399 756 1 3 . 1 1 13 13 THR H H 7 8.790 8.790 8.309 0.481 18399 757 1 3 . 1 1 14 14 VAL N N 8 119.340 119.340 120.303 -0.963 18399 758 1 3 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.230 -0.127 18399 759 1 3 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.031 0.681 18399 760 1 3 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.202 -0.042 18399 761 1 3 . 1 1 14 14 VAL H H 8 8.872 8.872 8.741 0.131 18399 762 1 3 . 1 1 15 15 SER N N 9 114.630 114.630 114.467 0.163 18399 763 1 3 . 1 1 15 15 SER HA H 9 4.513 4.513 4.564 -0.051 18399 764 1 3 . 1 1 15 15 SER CA C 9 57.913 57.913 58.372 -0.459 18399 765 1 3 . 1 1 15 15 SER CB C 9 63.243 63.243 63.376 -0.133 18399 766 1 3 . 1 1 15 15 SER H H 9 7.859 7.859 7.554 0.305 18399 767 1 3 . 1 1 16 16 ASN N N 10 115.509 115.509 117.475 -1.966 18399 768 1 3 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.357 -0.165 18399 769 1 3 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.687 0.274 18399 770 1 3 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.779 -1.484 18399 771 1 3 . 1 1 16 16 ASN H H 10 8.229 8.229 7.850 0.379 18399 772 1 3 . 1 1 17 17 LYS N N 11 120.345 120.345 119.368 0.977 18399 773 1 3 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.450 -0.195 18399 774 1 3 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.128 1.219 18399 775 1 3 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.985 -0.049 18399 776 1 3 . 1 1 17 17 LYS H H 11 7.315 7.315 7.486 -0.171 18399 777 1 3 . 1 1 18 18 VAL N N 12 125.270 125.270 125.360 -0.090 18399 778 1 3 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.429 0.208 18399 779 1 3 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.435 0.314 18399 780 1 3 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.873 -0.681 18399 781 1 3 . 1 1 18 18 VAL H H 12 8.576 8.576 8.183 0.393 18399 782 1 3 . 1 1 19 19 ILE N N 13 130.928 130.928 127.874 3.054 18399 783 1 3 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.409 -0.256 18399 784 1 3 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.275 1.170 18399 785 1 3 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.524 0.671 18399 786 1 3 . 1 1 19 19 ILE H H 13 9.486 9.486 8.727 0.759 18399 787 1 3 . 1 1 20 20 GLN N N 14 124.762 124.762 126.768 -2.006 18399 788 1 3 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.787 0.275 18399 789 1 3 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.824 -0.029 18399 790 1 3 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.190 0.411 18399 791 1 3 . 1 1 20 20 GLN H H 14 8.803 8.803 8.458 0.345 18399 792 1 3 . 1 1 21 21 ILE N N 15 126.010 126.010 119.845 6.165 18399 793 1 3 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.629 -0.116 18399 794 1 3 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.559 0.080 18399 795 1 3 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.949 -1.778 18399 796 1 3 . 1 1 21 21 ILE H H 15 9.076 9.076 8.050 1.026 18399 797 1 3 . 1 1 22 22 THR N N 16 118.074 118.074 118.122 -0.048 18399 798 1 3 . 1 1 22 22 THR HA H 16 4.904 4.904 4.472 0.432 18399 799 1 3 . 1 1 22 22 THR CA C 16 61.462 61.462 61.459 0.003 18399 800 1 3 . 1 1 22 22 THR CB C 16 69.657 69.657 68.236 1.421 18399 801 1 3 . 1 1 22 22 THR H H 16 9.047 9.047 8.510 0.537 18399 802 1 3 . 1 1 23 23 SER N N 17 113.130 113.130 116.031 -2.901 18399 803 1 3 . 1 1 23 23 SER HA H 17 4.440 4.440 4.594 -0.154 18399 804 1 3 . 1 1 23 23 SER CA C 17 58.002 58.002 58.199 -0.197 18399 805 1 3 . 1 1 23 23 SER CB C 17 64.268 64.268 63.808 0.460 18399 806 1 3 . 1 1 23 23 SER H H 17 7.330 7.330 7.785 -0.455 18399 807 1 3 . 1 1 24 24 LEU N N 18 123.241 123.241 125.852 -2.611 18399 808 1 3 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.642 0.097 18399 809 1 3 . 1 1 24 24 LEU CA C 18 53.858 53.858 54.011 -0.153 18399 810 1 3 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.476 -1.986 18399 811 1 3 . 1 1 24 24 LEU H H 18 8.728 8.728 8.182 0.546 18399 812 1 3 . 1 1 25 25 THR N N 19 111.915 111.915 115.396 -3.481 18399 813 1 3 . 1 1 25 25 THR HA H 19 4.816 4.816 4.247 0.569 18399 814 1 3 . 1 1 25 25 THR CA C 19 59.575 59.575 61.405 -1.830 18399 815 1 3 . 1 1 25 25 THR CB C 19 72.043 72.043 70.234 1.809 18399 816 1 3 . 1 1 25 25 THR H H 19 9.363 9.363 8.375 0.988 18399 817 1 3 . 1 1 26 26 ASP N N 20 117.183 117.183 116.938 0.245 18399 818 1 3 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.513 -0.180 18399 819 1 3 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.471 2.258 18399 820 1 3 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.243 -1.861 18399 821 1 3 . 1 1 26 26 ASP H H 20 8.785 8.785 8.272 0.513 18399 822 1 3 . 1 1 27 27 ASP N N 21 116.327 116.327 119.477 -3.150 18399 823 1 3 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.635 0.039 18399 824 1 3 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.807 -2.037 18399 825 1 3 . 1 1 27 27 ASP CB C 21 42.294 42.294 42.300 -0.006 18399 826 1 3 . 1 1 27 27 ASP H H 21 7.775 7.775 8.312 -0.537 18399 827 1 3 . 1 1 28 28 ASN N N 22 117.269 117.269 113.308 3.961 18399 828 1 3 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.843 0.049 18399 829 1 3 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.164 1.646 18399 830 1 3 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.733 0.367 18399 831 1 3 . 1 1 28 28 ASN H H 22 7.829 7.829 8.474 -0.645 18399 832 1 3 . 1 1 29 29 THR N N 23 108.639 108.639 114.714 -6.075 18399 833 1 3 . 1 1 29 29 THR HA H 23 5.206 5.206 3.851 1.355 18399 834 1 3 . 1 1 29 29 THR CA C 23 59.830 59.830 65.898 -6.068 18399 835 1 3 . 1 1 29 29 THR CB C 23 72.396 72.396 67.607 4.789 18399 836 1 3 . 1 1 29 29 THR H H 23 9.145 9.145 8.238 0.907 18399 837 1 3 . 1 1 30 30 ILE N N 24 120.336 120.336 122.421 -2.085 18399 838 1 3 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.882 -0.196 18399 839 1 3 . 1 1 30 30 ILE CA C 24 61.580 61.580 64.933 -3.353 18399 840 1 3 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.782 -4.438 18399 841 1 3 . 1 1 30 30 ILE H H 24 8.477 8.477 8.136 0.341 18399 842 1 3 . 1 1 31 31 ALA N N 25 123.489 123.489 122.721 0.768 18399 843 1 3 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.227 -0.356 18399 844 1 3 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.306 0.650 18399 845 1 3 . 1 1 31 31 ALA CB C 25 18.160 18.160 18.168 -0.008 18399 846 1 3 . 1 1 31 31 ALA H H 25 8.951 8.951 7.715 1.236 18399 847 1 3 . 1 1 32 32 GLU N N 26 120.101 120.101 119.400 0.701 18399 848 1 3 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.162 -0.147 18399 849 1 3 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.292 0.059 18399 850 1 3 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.292 -0.570 18399 851 1 3 . 1 1 32 32 GLU H H 26 7.988 7.988 8.517 -0.529 18399 852 1 3 . 1 1 33 33 LEU N N 27 124.025 124.025 120.371 3.654 18399 853 1 3 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.094 -0.061 18399 854 1 3 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.644 1.018 18399 855 1 3 . 1 1 33 33 LEU CB C 27 40.157 40.157 41.660 -1.503 18399 856 1 3 . 1 1 33 33 LEU H H 27 8.083 8.083 7.567 0.516 18399 857 1 3 . 1 1 34 34 LYS N N 28 119.471 119.471 118.739 0.732 18399 858 1 3 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.140 -0.341 18399 859 1 3 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.747 1.763 18399 860 1 3 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.842 0.006 18399 861 1 3 . 1 1 34 34 LYS H H 28 8.746 8.746 8.690 0.056 18399 862 1 3 . 1 1 35 35 GLY N N 29 106.034 106.034 107.925 -1.891 18399 863 1 3 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.896 0.146 18399 864 1 3 . 1 1 35 35 GLY H H 29 8.096 8.096 8.441 -0.345 18399 865 1 3 . 1 1 36 36 LYS N N 30 121.196 121.196 122.045 -0.849 18399 866 1 3 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.135 0.102 18399 867 1 3 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.454 -1.112 18399 868 1 3 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.304 -1.771 18399 869 1 3 . 1 1 36 36 LYS H H 30 7.704 7.704 7.836 -0.132 18399 870 1 3 . 1 1 37 37 LEU N N 31 121.657 121.657 120.750 0.907 18399 871 1 3 . 1 1 37 37 LEU HA H 31 4.295 4.295 3.996 0.299 18399 872 1 3 . 1 1 37 37 LEU CA C 31 57.282 57.282 58.312 -1.030 18399 873 1 3 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.166 0.026 18399 874 1 3 . 1 1 37 37 LEU H H 31 7.948 7.948 7.906 0.042 18399 875 1 3 . 1 1 38 38 GLU N N 32 123.295 123.295 118.541 4.754 18399 876 1 3 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.977 0.377 18399 877 1 3 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.864 0.440 18399 878 1 3 . 1 1 38 38 GLU CB C 32 29.339 29.339 29.062 0.277 18399 879 1 3 . 1 1 38 38 GLU H H 32 8.714 8.714 8.070 0.644 18399 880 1 3 . 1 1 39 39 GLU N N 33 118.296 118.296 119.747 -1.451 18399 881 1 3 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.087 -0.101 18399 882 1 3 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.904 0.238 18399 883 1 3 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.504 0.098 18399 884 1 3 . 1 1 39 39 GLU H H 33 7.470 7.470 7.999 -0.529 18399 885 1 3 . 1 1 40 40 SER N N 34 112.266 112.266 114.413 -2.147 18399 886 1 3 . 1 1 40 40 SER CA C 34 61.150 61.150 61.015 0.135 18399 887 1 3 . 1 1 40 40 SER CB C 34 63.578 63.578 63.279 0.299 18399 888 1 3 . 1 1 40 40 SER H H 34 8.054 8.054 7.745 0.309 18399 889 1 3 . 1 1 41 41 GLU N N 35 116.449 116.449 118.384 -1.935 18399 890 1 3 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.380 -0.013 18399 891 1 3 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.522 -1.466 18399 892 1 3 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.390 0.154 18399 893 1 3 . 1 1 41 41 GLU H H 35 8.908 8.908 7.773 1.135 18399 894 1 3 . 1 1 42 42 GLY N N 36 108.168 108.168 108.809 -0.641 18399 895 1 3 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.100 0.324 18399 896 1 3 . 1 1 42 42 GLY H H 36 7.930 7.930 8.032 -0.102 18399 897 1 3 . 1 1 43 43 ILE N N 37 120.326 120.326 117.356 2.970 18399 898 1 3 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.573 -0.843 18399 899 1 3 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.823 1.396 18399 900 1 3 . 1 1 43 43 ILE H H 37 6.446 6.446 7.322 -0.876 18399 901 1 3 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.627 -0.451 18399 902 1 3 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.559 0.459 18399 903 1 3 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.754 -0.595 18399 904 1 3 . 1 1 45 45 GLY N N 39 111.710 111.710 110.438 1.272 18399 905 1 3 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.736 0.870 18399 906 1 3 . 1 1 45 45 GLY H H 39 9.228 9.228 8.674 0.554 18399 907 1 3 . 1 1 46 46 ASN N N 40 114.967 114.967 114.793 0.174 18399 908 1 3 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.675 -0.163 18399 909 1 3 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.137 1.336 18399 910 1 3 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.124 -1.614 18399 911 1 3 . 1 1 46 46 ASN H H 40 8.325 8.325 8.078 0.247 18399 912 1 3 . 1 1 47 47 MET N N 41 118.446 118.446 119.735 -1.289 18399 913 1 3 . 1 1 47 47 MET HA H 41 4.557 4.557 4.494 0.063 18399 914 1 3 . 1 1 47 47 MET CA C 41 54.886 54.886 56.631 -1.745 18399 915 1 3 . 1 1 47 47 MET CB C 41 32.632 32.632 33.726 -1.094 18399 916 1 3 . 1 1 47 47 MET H H 41 8.247 8.247 7.974 0.273 18399 917 1 3 . 1 1 48 48 ILE N N 42 119.569 119.569 117.303 2.266 18399 918 1 3 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.840 0.256 18399 919 1 3 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.733 1.016 18399 920 1 3 . 1 1 48 48 ILE CB C 42 39.436 39.436 34.931 4.505 18399 921 1 3 . 1 1 48 48 ILE H H 42 7.422 7.422 7.902 -0.480 18399 922 1 3 . 1 1 49 49 ARG N N 43 127.179 127.179 120.389 6.790 18399 923 1 3 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.641 -0.061 18399 924 1 3 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.377 -0.415 18399 925 1 3 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.083 -1.054 18399 926 1 3 . 1 1 49 49 ARG H H 43 8.967 8.967 8.001 0.966 18399 927 1 3 . 1 1 50 50 LEU N N 44 122.639 122.639 121.531 1.108 18399 928 1 3 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.284 0.123 18399 929 1 3 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.382 -0.687 18399 930 1 3 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.577 3.078 18399 931 1 3 . 1 1 50 50 LEU H H 44 8.603 8.603 8.511 0.092 18399 932 1 3 . 1 1 51 51 VAL N N 45 121.931 121.931 118.469 3.462 18399 933 1 3 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.857 -0.149 18399 934 1 3 . 1 1 51 51 VAL CA C 45 60.583 60.583 60.048 0.535 18399 935 1 3 . 1 1 51 51 VAL CB C 45 34.601 34.601 32.249 2.352 18399 936 1 3 . 1 1 51 51 VAL H H 45 8.960 8.960 8.538 0.422 18399 937 1 3 . 1 1 52 52 TYR N N 46 126.384 126.384 128.516 -2.132 18399 938 1 3 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.801 0.288 18399 939 1 3 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.323 -0.248 18399 940 1 3 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.830 1.839 18399 941 1 3 . 1 1 52 52 TYR H H 46 8.879 8.879 8.887 -0.008 18399 942 1 3 . 1 1 53 53 GLN N N 47 127.041 127.041 128.234 -1.193 18399 943 1 3 . 1 1 53 53 GLN HA H 47 3.656 3.656 4.004 -0.348 18399 944 1 3 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.586 -0.312 18399 945 1 3 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.568 -2.127 18399 946 1 3 . 1 1 53 53 GLN H H 47 9.323 9.323 9.510 -0.187 18399 947 1 3 . 1 1 54 54 GLY N N 48 102.991 102.991 102.019 0.972 18399 948 1 3 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.329 0.044 18399 949 1 3 . 1 1 54 54 GLY H H 48 8.358 8.358 8.561 -0.203 18399 950 1 3 . 1 1 55 55 LYS N N 49 121.595 121.595 121.309 0.286 18399 951 1 3 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.674 -0.057 18399 952 1 3 . 1 1 55 55 LYS CA C 49 54.340 54.340 54.698 -0.358 18399 953 1 3 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.560 -0.359 18399 954 1 3 . 1 1 55 55 LYS H H 49 7.819 7.819 7.970 -0.151 18399 955 1 3 . 1 1 56 56 GLN N N 50 122.484 122.484 119.484 3.000 18399 956 1 3 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.777 -0.192 18399 957 1 3 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.709 1.069 18399 958 1 3 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.853 -2.152 18399 959 1 3 . 1 1 56 56 GLN H H 50 8.757 8.757 8.460 0.297 18399 960 1 3 . 1 1 57 57 LEU N N 51 125.130 125.130 120.077 5.053 18399 961 1 3 . 1 1 57 57 LEU HA H 51 4.300 4.300 3.970 0.331 18399 962 1 3 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.110 -0.971 18399 963 1 3 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.336 0.889 18399 964 1 3 . 1 1 57 57 LEU H H 51 8.442 8.442 8.797 -0.355 18399 965 1 3 . 1 1 58 58 GLU N N 52 122.551 122.551 120.109 2.442 18399 966 1 3 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.500 -0.041 18399 967 1 3 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.625 -0.515 18399 968 1 3 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.335 0.711 18399 969 1 3 . 1 1 58 58 GLU H H 52 8.125 8.125 8.661 -0.536 18399 970 1 3 . 1 1 59 59 ASP N N 53 122.235 122.235 122.017 0.218 18399 971 1 3 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.386 -0.241 18399 972 1 3 . 1 1 59 59 ASP CA C 53 57.699 57.699 57.926 -0.227 18399 973 1 3 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.851 0.160 18399 974 1 3 . 1 1 59 59 ASP H H 53 8.346 8.346 8.669 -0.323 18399 975 1 3 . 1 1 60 60 GLU N N 54 113.128 113.128 116.778 -3.650 18399 976 1 3 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.181 0.134 18399 977 1 3 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.177 -0.841 18399 978 1 3 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.592 -0.550 18399 979 1 3 . 1 1 60 60 GLU H H 54 8.756 8.756 8.563 0.193 18399 980 1 3 . 1 1 61 61 LYS N N 55 119.869 119.869 119.208 0.661 18399 981 1 3 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.464 -0.213 18399 982 1 3 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.710 1.247 18399 983 1 3 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.595 1.349 18399 984 1 3 . 1 1 61 61 LYS H H 55 7.677 7.677 7.687 -0.010 18399 985 1 3 . 1 1 62 62 ARG N N 56 117.724 117.724 120.199 -2.475 18399 986 1 3 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.175 0.549 18399 987 1 3 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.734 2.386 18399 988 1 3 . 1 1 62 62 ARG H H 56 8.797 8.797 7.675 1.122 18399 989 1 3 . 1 1 63 63 LEU N N 57 123.223 123.223 121.768 1.455 18399 990 1 3 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.229 -0.191 18399 991 1 3 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.399 2.025 18399 992 1 3 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.717 -1.319 18399 993 1 3 . 1 1 63 63 LEU H H 57 8.728 8.728 8.423 0.305 18399 994 1 3 . 1 1 64 64 LYS N N 58 114.073 114.073 118.098 -4.025 18399 995 1 3 . 1 1 64 64 LYS HA H 58 4.409 4.409 4.026 0.383 18399 996 1 3 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.175 -1.341 18399 997 1 3 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.540 -0.416 18399 998 1 3 . 1 1 64 64 LYS H H 58 8.681 8.681 8.346 0.335 18399 999 1 3 . 1 1 65 65 ASP N N 59 120.640 120.640 119.077 1.563 18399 1000 1 3 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.524 -0.105 18399 1001 1 3 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.713 0.793 18399 1002 1 3 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.822 -0.774 18399 1003 1 3 . 1 1 65 65 ASP H H 59 7.862 7.862 8.151 -0.289 18399 1004 1 3 . 1 1 66 66 TYR N N 60 117.775 117.775 119.676 -1.901 18399 1005 1 3 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.276 0.340 18399 1006 1 3 . 1 1 66 66 TYR CA C 60 58.150 58.150 59.933 -1.783 18399 1007 1 3 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.862 0.466 18399 1008 1 3 . 1 1 66 66 TYR H H 60 7.545 7.545 7.988 -0.443 18399 1009 1 3 . 1 1 67 67 GLN N N 61 117.450 117.450 117.304 0.146 18399 1010 1 3 . 1 1 67 67 GLN HA H 61 4.183 4.183 3.997 0.186 18399 1011 1 3 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.009 -0.392 18399 1012 1 3 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.661 -2.083 18399 1013 1 3 . 1 1 67 67 GLN H H 61 8.155 8.155 7.694 0.461 18399 1014 1 3 . 1 1 68 68 MET N N 62 120.193 120.193 118.289 1.904 18399 1015 1 3 . 1 1 68 68 MET HA H 62 4.470 4.470 4.370 0.100 18399 1016 1 3 . 1 1 68 68 MET CA C 62 55.767 55.767 55.791 -0.024 18399 1017 1 3 . 1 1 68 68 MET CB C 62 33.105 33.105 32.693 0.412 18399 1018 1 3 . 1 1 68 68 MET H H 62 7.997 7.997 7.439 0.558 18399 1019 1 3 . 1 1 69 69 SER N N 63 116.722 116.722 111.646 5.076 18399 1020 1 3 . 1 1 69 69 SER HA H 63 4.530 4.530 4.190 0.340 18399 1021 1 3 . 1 1 69 69 SER CA C 63 57.654 57.654 59.928 -2.274 18399 1022 1 3 . 1 1 69 69 SER CB C 63 64.803 64.803 62.158 2.644 18399 1023 1 3 . 1 1 69 69 SER H H 63 8.073 8.073 8.655 -0.582 18399 1024 1 3 . 1 1 70 70 ALA N N 64 123.286 123.286 119.134 4.152 18399 1025 1 3 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.513 -0.257 18399 1026 1 3 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.306 1.260 18399 1027 1 3 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.451 -1.208 18399 1028 1 3 . 1 1 70 70 ALA H H 64 8.492 8.492 7.898 0.594 18399 1029 1 3 . 1 1 71 71 GLY N N 65 110.294 110.294 108.148 2.146 18399 1030 1 3 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.874 0.252 18399 1031 1 3 . 1 1 71 71 GLY H H 65 8.907 8.907 8.014 0.893 18399 1032 1 3 . 1 1 72 72 ALA N N 66 123.229 123.229 128.670 -5.441 18399 1033 1 3 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.144 0.144 18399 1034 1 3 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.242 0.634 18399 1035 1 3 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.422 0.404 18399 1036 1 3 . 1 1 72 72 ALA H H 66 7.572 7.572 8.614 -1.042 18399 1037 1 3 . 1 1 73 73 THR N N 67 116.161 116.161 115.071 1.090 18399 1038 1 3 . 1 1 73 73 THR HA H 67 5.060 5.060 4.369 0.691 18399 1039 1 3 . 1 1 73 73 THR CA C 67 61.493 61.493 60.052 1.441 18399 1040 1 3 . 1 1 73 73 THR CB C 67 71.022 71.022 71.003 0.019 18399 1041 1 3 . 1 1 73 73 THR H H 67 8.253 8.253 8.542 -0.289 18399 1042 1 3 . 1 1 74 74 PHE N N 68 124.518 124.518 125.457 -0.939 18399 1043 1 3 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.082 0.287 18399 1044 1 3 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.249 -2.236 18399 1045 1 3 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.850 -0.957 18399 1046 1 3 . 1 1 74 74 PHE H H 68 8.989 8.989 8.417 0.572 18399 1047 1 3 . 1 1 75 75 HIS N N 69 120.835 120.835 126.169 -5.334 18399 1048 1 3 . 1 1 75 75 HIS HA H 69 5.146 5.146 5.130 0.016 18399 1049 1 3 . 1 1 75 75 HIS CA C 69 56.131 56.131 55.225 0.906 18399 1050 1 3 . 1 1 75 75 HIS CB C 69 31.584 31.584 32.234 -0.650 18399 1051 1 3 . 1 1 75 75 HIS H H 69 9.300 9.300 8.910 0.390 18399 1052 1 3 . 1 1 76 76 MET N N 70 122.731 122.731 122.916 -0.185 18399 1053 1 3 . 1 1 76 76 MET HA H 70 5.199 5.199 4.986 0.213 18399 1054 1 3 . 1 1 76 76 MET CA C 70 54.683 54.683 54.922 -0.239 18399 1055 1 3 . 1 1 76 76 MET CB C 70 35.426 35.426 35.678 -0.252 18399 1056 1 3 . 1 1 76 76 MET H H 70 8.563 8.563 8.617 -0.054 18399 1057 1 3 . 1 1 77 77 VAL N N 71 128.801 128.801 126.849 1.952 18399 1058 1 3 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.342 -0.065 18399 1059 1 3 . 1 1 77 77 VAL CA C 71 61.343 61.343 61.317 0.026 18399 1060 1 3 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.417 1.239 18399 1061 1 3 . 1 1 77 77 VAL H H 71 9.118 9.118 8.518 0.600 18399 1062 1 3 . 1 1 78 78 VAL N N 72 125.528 125.528 128.880 -3.352 18399 1063 1 3 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.288 0.330 18399 1064 1 3 . 1 1 78 78 VAL CA C 72 61.485 61.485 60.288 1.197 18399 1065 1 3 . 1 1 78 78 VAL CB C 72 32.311 32.311 32.447 -0.136 18399 1066 1 3 . 1 1 78 78 VAL H H 72 8.544 8.544 8.388 0.156 18399 1067 1 3 . 1 1 79 79 ALA N N 73 131.664 131.664 131.490 0.174 18399 1068 1 3 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.809 -0.486 18399 1069 1 3 . 1 1 79 79 ALA CA C 73 51.746 51.746 50.959 0.787 18399 1070 1 3 . 1 1 79 79 ALA CB C 73 19.445 19.445 19.051 0.394 18399 1071 1 3 . 1 1 79 79 ALA H H 73 8.957 8.957 8.325 0.632 18399 1072 1 3 . 1 1 80 80 LEU N N 74 120.722 120.722 119.902 0.820 18399 1073 1 3 . 1 1 80 80 LEU HA H 74 4.279 4.279 3.948 0.331 18399 1074 1 3 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.446 -0.255 18399 1075 1 3 . 1 1 80 80 LEU CB C 74 42.356 42.356 40.002 2.353 18399 1076 1 3 . 1 1 80 80 LEU H H 74 8.193 8.193 8.625 -0.432 18399 1077 1 3 . 1 1 81 81 ARG N N 75 121.022 121.022 120.988 0.034 18399 1078 1 3 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.314 -0.020 18399 1079 1 3 . 1 1 81 81 ARG CA C 75 55.604 55.604 55.196 0.409 18399 1080 1 3 . 1 1 81 81 ARG CB C 75 30.856 30.856 30.912 -0.056 18399 1081 1 3 . 1 1 81 81 ARG H H 75 8.207 8.207 7.871 0.336 18399 1082 1 3 . 1 1 82 82 ALA N N 76 125.815 125.815 120.918 4.897 18399 1083 1 3 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.183 0.095 18399 1084 1 3 . 1 1 82 82 ALA CA C 76 52.478 52.478 52.067 0.411 18399 1085 1 3 . 1 1 82 82 ALA CB C 76 18.813 18.813 18.491 0.322 18399 1086 1 3 . 1 1 82 82 ALA H H 76 8.471 8.471 8.356 0.115 18399 1087 1 3 . 1 1 83 83 GLY N N 77 109.110 109.110 105.755 3.355 18399 1088 1 3 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.005 0.330 18399 1089 1 3 . 1 1 83 83 GLY H H 77 8.506 8.506 8.767 -0.261 18399 1090 1 4 . 1 1 8 8 LEU N N 2 125.142 125.142 121.924 3.218 18399 1091 1 4 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.162 -0.688 18399 1092 1 4 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.935 1.340 18399 1093 1 4 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.673 -1.771 18399 1094 1 4 . 1 1 8 8 LEU H H 2 8.251 8.251 7.688 0.563 18399 1095 1 4 . 1 1 9 9 LEU N N 3 126.326 126.326 121.076 5.250 18399 1096 1 4 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.931 -0.135 18399 1097 1 4 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.263 -0.220 18399 1098 1 4 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.124 -1.616 18399 1099 1 4 . 1 1 9 9 LEU H H 3 8.307 8.307 8.266 0.041 18399 1100 1 4 . 1 1 10 10 LYS N N 4 121.349 121.349 123.796 -2.447 18399 1101 1 4 . 1 1 10 10 LYS HA H 4 5.080 5.080 4.957 0.123 18399 1102 1 4 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.575 0.057 18399 1103 1 4 . 1 1 10 10 LYS CB C 4 34.425 34.425 33.937 0.488 18399 1104 1 4 . 1 1 10 10 LYS H H 4 8.428 8.428 8.409 0.019 18399 1105 1 4 . 1 1 11 11 VAL N N 5 122.408 122.408 122.201 0.207 18399 1106 1 4 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.960 -0.272 18399 1107 1 4 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.837 0.489 18399 1108 1 4 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.614 1.216 18399 1109 1 4 . 1 1 11 11 VAL H H 5 9.088 9.088 8.419 0.669 18399 1110 1 4 . 1 1 12 12 LYS N N 6 127.778 127.778 126.384 1.394 18399 1111 1 4 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.308 0.044 18399 1112 1 4 . 1 1 12 12 LYS CA C 6 54.675 54.675 53.917 0.757 18399 1113 1 4 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.321 -1.137 18399 1114 1 4 . 1 1 12 12 LYS H H 6 9.029 9.029 8.565 0.464 18399 1115 1 4 . 1 1 13 13 THR N N 7 116.723 116.723 117.726 -1.003 18399 1116 1 4 . 1 1 13 13 THR HA H 7 4.860 4.860 4.782 0.078 18399 1117 1 4 . 1 1 13 13 THR CA C 7 60.392 60.392 60.542 -0.150 18399 1118 1 4 . 1 1 13 13 THR CB C 7 71.189 71.189 70.182 1.007 18399 1119 1 4 . 1 1 13 13 THR H H 7 8.790 8.790 8.422 0.368 18399 1120 1 4 . 1 1 14 14 VAL N N 8 119.340 119.340 121.246 -1.906 18399 1121 1 4 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.109 -0.006 18399 1122 1 4 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.555 0.157 18399 1123 1 4 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.848 -0.688 18399 1124 1 4 . 1 1 14 14 VAL H H 8 8.872 8.872 8.740 0.132 18399 1125 1 4 . 1 1 15 15 SER N N 9 114.630 114.630 115.562 -0.932 18399 1126 1 4 . 1 1 15 15 SER HA H 9 4.513 4.513 4.444 0.069 18399 1127 1 4 . 1 1 15 15 SER CA C 9 57.913 57.913 58.388 -0.475 18399 1128 1 4 . 1 1 15 15 SER CB C 9 63.243 63.243 62.894 0.349 18399 1129 1 4 . 1 1 15 15 SER H H 9 7.859 7.859 7.939 -0.080 18399 1130 1 4 . 1 1 16 16 ASN N N 10 115.509 115.509 117.644 -2.135 18399 1131 1 4 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.392 -0.200 18399 1132 1 4 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.709 0.252 18399 1133 1 4 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.410 -1.115 18399 1134 1 4 . 1 1 16 16 ASN H H 10 8.229 8.229 8.002 0.227 18399 1135 1 4 . 1 1 17 17 LYS N N 11 120.345 120.345 119.971 0.374 18399 1136 1 4 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.485 -0.230 18399 1137 1 4 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.154 1.193 18399 1138 1 4 . 1 1 17 17 LYS CB C 11 32.936 32.936 33.133 -0.197 18399 1139 1 4 . 1 1 17 17 LYS H H 11 7.315 7.315 7.566 -0.251 18399 1140 1 4 . 1 1 18 18 VAL N N 12 125.270 125.270 125.040 0.230 18399 1141 1 4 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.495 0.142 18399 1142 1 4 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.757 -0.008 18399 1143 1 4 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.870 -0.678 18399 1144 1 4 . 1 1 18 18 VAL H H 12 8.576 8.576 8.331 0.245 18399 1145 1 4 . 1 1 19 19 ILE N N 13 130.928 130.928 128.414 2.514 18399 1146 1 4 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.359 -0.206 18399 1147 1 4 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.782 0.663 18399 1148 1 4 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.983 0.212 18399 1149 1 4 . 1 1 19 19 ILE H H 13 9.486 9.486 8.827 0.659 18399 1150 1 4 . 1 1 20 20 GLN N N 14 124.762 124.762 128.143 -3.381 18399 1151 1 4 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.748 0.314 18399 1152 1 4 . 1 1 20 20 GLN CA C 14 54.795 54.795 55.246 -0.451 18399 1153 1 4 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.606 -0.005 18399 1154 1 4 . 1 1 20 20 GLN H H 14 8.803 8.803 8.567 0.236 18399 1155 1 4 . 1 1 21 21 ILE N N 15 126.010 126.010 123.518 2.492 18399 1156 1 4 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.634 -0.121 18399 1157 1 4 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.400 0.239 18399 1158 1 4 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.499 -1.328 18399 1159 1 4 . 1 1 21 21 ILE H H 15 9.076 9.076 8.189 0.887 18399 1160 1 4 . 1 1 22 22 THR N N 16 118.074 118.074 117.503 0.571 18399 1161 1 4 . 1 1 22 22 THR HA H 16 4.904 4.904 4.598 0.306 18399 1162 1 4 . 1 1 22 22 THR CA C 16 61.462 61.462 61.722 -0.260 18399 1163 1 4 . 1 1 22 22 THR CB C 16 69.657 69.657 68.584 1.073 18399 1164 1 4 . 1 1 22 22 THR H H 16 9.047 9.047 8.457 0.590 18399 1165 1 4 . 1 1 23 23 SER N N 17 113.130 113.130 118.599 -5.469 18399 1166 1 4 . 1 1 23 23 SER HA H 17 4.440 4.440 4.672 -0.232 18399 1167 1 4 . 1 1 23 23 SER CA C 17 58.002 58.002 58.460 -0.458 18399 1168 1 4 . 1 1 23 23 SER CB C 17 64.268 64.268 63.115 1.153 18399 1169 1 4 . 1 1 23 23 SER H H 17 7.330 7.330 8.384 -1.054 18399 1170 1 4 . 1 1 24 24 LEU N N 18 123.241 123.241 124.460 -1.219 18399 1171 1 4 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.821 -0.082 18399 1172 1 4 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.478 0.380 18399 1173 1 4 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.875 -2.385 18399 1174 1 4 . 1 1 24 24 LEU H H 18 8.728 8.728 7.921 0.807 18399 1175 1 4 . 1 1 25 25 THR N N 19 111.915 111.915 115.807 -3.892 18399 1176 1 4 . 1 1 25 25 THR HA H 19 4.816 4.816 4.306 0.510 18399 1177 1 4 . 1 1 25 25 THR CA C 19 59.575 59.575 62.056 -2.481 18399 1178 1 4 . 1 1 25 25 THR CB C 19 72.043 72.043 69.768 2.275 18399 1179 1 4 . 1 1 25 25 THR H H 19 9.363 9.363 8.311 1.052 18399 1180 1 4 . 1 1 26 26 ASP N N 20 117.183 117.183 114.840 2.343 18399 1181 1 4 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.575 -0.242 18399 1182 1 4 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.648 2.081 18399 1183 1 4 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.205 -1.823 18399 1184 1 4 . 1 1 26 26 ASP H H 20 8.785 8.785 8.320 0.465 18399 1185 1 4 . 1 1 27 27 ASP N N 21 116.327 116.327 118.968 -2.641 18399 1186 1 4 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.580 0.094 18399 1187 1 4 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.417 -1.647 18399 1188 1 4 . 1 1 27 27 ASP CB C 21 42.294 42.294 42.176 0.118 18399 1189 1 4 . 1 1 27 27 ASP H H 21 7.775 7.775 8.244 -0.469 18399 1190 1 4 . 1 1 28 28 ASN N N 22 117.269 117.269 114.153 3.116 18399 1191 1 4 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.870 0.022 18399 1192 1 4 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.113 1.697 18399 1193 1 4 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.767 0.334 18399 1194 1 4 . 1 1 28 28 ASN H H 22 7.829 7.829 8.512 -0.683 18399 1195 1 4 . 1 1 29 29 THR N N 23 108.639 108.639 114.689 -6.050 18399 1196 1 4 . 1 1 29 29 THR HA H 23 5.206 5.206 3.854 1.352 18399 1197 1 4 . 1 1 29 29 THR CA C 23 59.830 59.830 66.069 -6.239 18399 1198 1 4 . 1 1 29 29 THR CB C 23 72.396 72.396 67.617 4.779 18399 1199 1 4 . 1 1 29 29 THR H H 23 9.145 9.145 8.217 0.928 18399 1200 1 4 . 1 1 30 30 ILE N N 24 120.336 120.336 122.546 -2.210 18399 1201 1 4 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.829 -0.143 18399 1202 1 4 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.332 -3.752 18399 1203 1 4 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.783 -4.439 18399 1204 1 4 . 1 1 30 30 ILE H H 24 8.477 8.477 8.110 0.367 18399 1205 1 4 . 1 1 31 31 ALA N N 25 123.489 123.489 122.424 1.065 18399 1206 1 4 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.154 -0.283 18399 1207 1 4 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.326 0.630 18399 1208 1 4 . 1 1 31 31 ALA CB C 25 18.160 18.160 18.019 0.141 18399 1209 1 4 . 1 1 31 31 ALA H H 25 8.951 8.951 7.717 1.234 18399 1210 1 4 . 1 1 32 32 GLU N N 26 120.101 120.101 119.146 0.955 18399 1211 1 4 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.156 -0.141 18399 1212 1 4 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.075 0.276 18399 1213 1 4 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.245 -0.523 18399 1214 1 4 . 1 1 32 32 GLU H H 26 7.988 7.988 8.545 -0.557 18399 1215 1 4 . 1 1 33 33 LEU N N 27 124.025 124.025 120.257 3.768 18399 1216 1 4 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.021 0.012 18399 1217 1 4 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.765 0.897 18399 1218 1 4 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.184 -2.027 18399 1219 1 4 . 1 1 33 33 LEU H H 27 8.083 8.083 7.841 0.242 18399 1220 1 4 . 1 1 34 34 LYS N N 28 119.471 119.471 118.509 0.962 18399 1221 1 4 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.146 -0.347 18399 1222 1 4 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.575 1.935 18399 1223 1 4 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.683 0.165 18399 1224 1 4 . 1 1 34 34 LYS H H 28 8.746 8.746 8.642 0.104 18399 1225 1 4 . 1 1 35 35 GLY N N 29 106.034 106.034 107.880 -1.846 18399 1226 1 4 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.898 0.145 18399 1227 1 4 . 1 1 35 35 GLY H H 29 8.096 8.096 8.399 -0.303 18399 1228 1 4 . 1 1 36 36 LYS N N 30 121.196 121.196 122.016 -0.820 18399 1229 1 4 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.143 0.094 18399 1230 1 4 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.446 -1.104 18399 1231 1 4 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.282 -1.749 18399 1232 1 4 . 1 1 36 36 LYS H H 30 7.704 7.704 7.850 -0.146 18399 1233 1 4 . 1 1 37 37 LEU N N 31 121.657 121.657 121.176 0.481 18399 1234 1 4 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.060 0.235 18399 1235 1 4 . 1 1 37 37 LEU CA C 31 57.282 57.282 57.906 -0.624 18399 1236 1 4 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.225 -0.033 18399 1237 1 4 . 1 1 37 37 LEU H H 31 7.948 7.948 7.987 -0.039 18399 1238 1 4 . 1 1 38 38 GLU N N 32 123.295 123.295 118.467 4.828 18399 1239 1 4 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.981 0.373 18399 1240 1 4 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.826 0.478 18399 1241 1 4 . 1 1 38 38 GLU CB C 32 29.339 29.339 29.016 0.323 18399 1242 1 4 . 1 1 38 38 GLU H H 32 8.714 8.714 8.057 0.657 18399 1243 1 4 . 1 1 39 39 GLU N N 33 118.296 118.296 119.929 -1.633 18399 1244 1 4 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.101 -0.115 18399 1245 1 4 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.547 0.595 18399 1246 1 4 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.469 0.133 18399 1247 1 4 . 1 1 39 39 GLU H H 33 7.470 7.470 7.929 -0.459 18399 1248 1 4 . 1 1 40 40 SER N N 34 112.266 112.266 114.567 -2.301 18399 1249 1 4 . 1 1 40 40 SER CA C 34 61.150 61.150 60.972 0.178 18399 1250 1 4 . 1 1 40 40 SER CB C 34 63.578 63.578 63.235 0.343 18399 1251 1 4 . 1 1 40 40 SER H H 34 8.054 8.054 7.831 0.223 18399 1252 1 4 . 1 1 41 41 GLU N N 35 116.449 116.449 119.996 -3.547 18399 1253 1 4 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.336 0.031 18399 1254 1 4 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.501 -1.445 18399 1255 1 4 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.015 0.529 18399 1256 1 4 . 1 1 41 41 GLU H H 35 8.908 8.908 7.783 1.125 18399 1257 1 4 . 1 1 42 42 GLY N N 36 108.168 108.168 108.758 -0.590 18399 1258 1 4 . 1 1 42 42 GLY CA C 36 46.424 46.424 45.909 0.515 18399 1259 1 4 . 1 1 42 42 GLY H H 36 7.930 7.930 7.982 -0.052 18399 1260 1 4 . 1 1 43 43 ILE N N 37 120.326 120.326 116.049 4.277 18399 1261 1 4 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.432 -0.702 18399 1262 1 4 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.387 1.832 18399 1263 1 4 . 1 1 43 43 ILE H H 37 6.446 6.446 7.086 -0.640 18399 1264 1 4 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.614 -0.438 18399 1265 1 4 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.618 0.400 18399 1266 1 4 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.562 -0.403 18399 1267 1 4 . 1 1 45 45 GLY N N 39 111.710 111.710 110.170 1.540 18399 1268 1 4 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.691 0.915 18399 1269 1 4 . 1 1 45 45 GLY H H 39 9.228 9.228 8.677 0.551 18399 1270 1 4 . 1 1 46 46 ASN N N 40 114.967 114.967 114.720 0.247 18399 1271 1 4 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.664 -0.152 18399 1272 1 4 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.543 0.930 18399 1273 1 4 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.155 -1.645 18399 1274 1 4 . 1 1 46 46 ASN H H 40 8.325 8.325 7.972 0.353 18399 1275 1 4 . 1 1 47 47 MET N N 41 118.446 118.446 118.793 -0.347 18399 1276 1 4 . 1 1 47 47 MET HA H 41 4.557 4.557 4.471 0.086 18399 1277 1 4 . 1 1 47 47 MET CA C 41 54.886 54.886 56.417 -1.532 18399 1278 1 4 . 1 1 47 47 MET CB C 41 32.632 32.632 33.648 -1.016 18399 1279 1 4 . 1 1 47 47 MET H H 41 8.247 8.247 7.906 0.341 18399 1280 1 4 . 1 1 48 48 ILE N N 42 119.569 119.569 117.035 2.534 18399 1281 1 4 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.739 0.357 18399 1282 1 4 . 1 1 48 48 ILE CA C 42 62.749 62.749 62.009 0.740 18399 1283 1 4 . 1 1 48 48 ILE CB C 42 39.436 39.436 35.656 3.780 18399 1284 1 4 . 1 1 48 48 ILE H H 42 7.422 7.422 7.849 -0.427 18399 1285 1 4 . 1 1 49 49 ARG N N 43 127.179 127.179 121.553 5.626 18399 1286 1 4 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.599 -0.019 18399 1287 1 4 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.723 -0.761 18399 1288 1 4 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.857 -1.828 18399 1289 1 4 . 1 1 49 49 ARG H H 43 8.967 8.967 7.830 1.137 18399 1290 1 4 . 1 1 50 50 LEU N N 44 122.639 122.639 121.800 0.839 18399 1291 1 4 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.034 0.373 18399 1292 1 4 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.266 -0.571 18399 1293 1 4 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.755 2.900 18399 1294 1 4 . 1 1 50 50 LEU H H 44 8.603 8.603 8.416 0.187 18399 1295 1 4 . 1 1 51 51 VAL N N 45 121.931 121.931 118.412 3.519 18399 1296 1 4 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.819 -0.112 18399 1297 1 4 . 1 1 51 51 VAL CA C 45 60.583 60.583 60.285 0.298 18399 1298 1 4 . 1 1 51 51 VAL CB C 45 34.601 34.601 32.628 1.973 18399 1299 1 4 . 1 1 51 51 VAL H H 45 8.960 8.960 8.494 0.466 18399 1300 1 4 . 1 1 52 52 TYR N N 46 126.384 126.384 128.473 -2.089 18399 1301 1 4 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.771 0.318 18399 1302 1 4 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.553 -0.478 18399 1303 1 4 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.642 2.027 18399 1304 1 4 . 1 1 52 52 TYR H H 46 8.879 8.879 8.878 0.001 18399 1305 1 4 . 1 1 53 53 GLN N N 47 127.041 127.041 128.164 -1.123 18399 1306 1 4 . 1 1 53 53 GLN HA H 47 3.656 3.656 3.997 -0.341 18399 1307 1 4 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.557 -0.283 18399 1308 1 4 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.609 -2.168 18399 1309 1 4 . 1 1 53 53 GLN H H 47 9.323 9.323 9.517 -0.194 18399 1310 1 4 . 1 1 54 54 GLY N N 48 102.991 102.991 101.616 1.375 18399 1311 1 4 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.307 0.066 18399 1312 1 4 . 1 1 54 54 GLY H H 48 8.358 8.358 8.552 -0.194 18399 1313 1 4 . 1 1 55 55 LYS N N 49 121.595 121.595 120.263 1.332 18399 1314 1 4 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.730 -0.113 18399 1315 1 4 . 1 1 55 55 LYS CA C 49 54.340 54.340 54.703 -0.363 18399 1316 1 4 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.767 -0.566 18399 1317 1 4 . 1 1 55 55 LYS H H 49 7.819 7.819 7.938 -0.119 18399 1318 1 4 . 1 1 56 56 GLN N N 50 122.484 122.484 118.521 3.963 18399 1319 1 4 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.786 -0.201 18399 1320 1 4 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.384 1.394 18399 1321 1 4 . 1 1 56 56 GLN CB C 50 28.701 28.701 31.058 -2.357 18399 1322 1 4 . 1 1 56 56 GLN H H 50 8.757 8.757 8.217 0.540 18399 1323 1 4 . 1 1 57 57 LEU N N 51 125.130 125.130 119.114 6.016 18399 1324 1 4 . 1 1 57 57 LEU HA H 51 4.300 4.300 3.945 0.355 18399 1325 1 4 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.156 -1.017 18399 1326 1 4 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.185 1.040 18399 1327 1 4 . 1 1 57 57 LEU H H 51 8.442 8.442 8.814 -0.372 18399 1328 1 4 . 1 1 58 58 GLU N N 52 122.551 122.551 120.689 1.862 18399 1329 1 4 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.405 0.054 18399 1330 1 4 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.617 -0.507 18399 1331 1 4 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.283 0.763 18399 1332 1 4 . 1 1 58 58 GLU H H 52 8.125 8.125 8.726 -0.601 18399 1333 1 4 . 1 1 59 59 ASP N N 53 122.235 122.235 121.540 0.695 18399 1334 1 4 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.338 -0.193 18399 1335 1 4 . 1 1 59 59 ASP CA C 53 57.699 57.699 58.097 -0.398 18399 1336 1 4 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.900 0.111 18399 1337 1 4 . 1 1 59 59 ASP H H 53 8.346 8.346 8.687 -0.341 18399 1338 1 4 . 1 1 60 60 GLU N N 54 113.128 113.128 117.647 -4.519 18399 1339 1 4 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.150 0.165 18399 1340 1 4 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.394 -1.058 18399 1341 1 4 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.591 -0.549 18399 1342 1 4 . 1 1 60 60 GLU H H 54 8.756 8.756 8.529 0.227 18399 1343 1 4 . 1 1 61 61 LYS N N 55 119.869 119.869 119.590 0.279 18399 1344 1 4 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.431 -0.180 18399 1345 1 4 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.582 1.375 18399 1346 1 4 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.435 1.509 18399 1347 1 4 . 1 1 61 61 LYS H H 55 7.677 7.677 7.748 -0.071 18399 1348 1 4 . 1 1 62 62 ARG N N 56 117.724 117.724 120.226 -2.502 18399 1349 1 4 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.177 0.547 18399 1350 1 4 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.729 2.391 18399 1351 1 4 . 1 1 62 62 ARG H H 56 8.797 8.797 7.679 1.118 18399 1352 1 4 . 1 1 63 63 LEU N N 57 123.223 123.223 121.745 1.478 18399 1353 1 4 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.225 -0.187 18399 1354 1 4 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.363 2.061 18399 1355 1 4 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.715 -1.317 18399 1356 1 4 . 1 1 63 63 LEU H H 57 8.728 8.728 8.421 0.307 18399 1357 1 4 . 1 1 64 64 LYS N N 58 114.073 114.073 118.494 -4.421 18399 1358 1 4 . 1 1 64 64 LYS HA H 58 4.409 4.409 3.998 0.411 18399 1359 1 4 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.083 -1.249 18399 1360 1 4 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.597 -0.473 18399 1361 1 4 . 1 1 64 64 LYS H H 58 8.681 8.681 8.271 0.409 18399 1362 1 4 . 1 1 65 65 ASP N N 59 120.640 120.640 118.521 2.119 18399 1363 1 4 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.580 -0.161 18399 1364 1 4 . 1 1 65 65 ASP CA C 59 56.506 56.506 56.056 0.450 18399 1365 1 4 . 1 1 65 65 ASP CB C 59 40.048 40.048 41.051 -1.003 18399 1366 1 4 . 1 1 65 65 ASP H H 59 7.862 7.862 8.046 -0.184 18399 1367 1 4 . 1 1 66 66 TYR N N 60 117.775 117.775 120.693 -2.918 18399 1368 1 4 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.254 0.362 18399 1369 1 4 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.999 -2.849 18399 1370 1 4 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.899 0.430 18399 1371 1 4 . 1 1 66 66 TYR H H 60 7.545 7.545 8.037 -0.491 18399 1372 1 4 . 1 1 67 67 GLN N N 61 117.450 117.450 117.442 0.008 18399 1373 1 4 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.048 0.135 18399 1374 1 4 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.538 -0.921 18399 1375 1 4 . 1 1 67 67 GLN CB C 61 26.578 26.578 27.926 -1.348 18399 1376 1 4 . 1 1 67 67 GLN H H 61 8.155 8.155 7.904 0.251 18399 1377 1 4 . 1 1 68 68 MET N N 62 120.193 120.193 119.708 0.485 18399 1378 1 4 . 1 1 68 68 MET HA H 62 4.470 4.470 4.355 0.115 18399 1379 1 4 . 1 1 68 68 MET CA C 62 55.767 55.767 55.342 0.425 18399 1380 1 4 . 1 1 68 68 MET CB C 62 33.105 33.105 32.626 0.479 18399 1381 1 4 . 1 1 68 68 MET H H 62 7.997 7.997 7.459 0.538 18399 1382 1 4 . 1 1 69 69 SER N N 63 116.722 116.722 111.607 5.115 18399 1383 1 4 . 1 1 69 69 SER HA H 63 4.530 4.530 4.239 0.291 18399 1384 1 4 . 1 1 69 69 SER CA C 63 57.654 57.654 59.309 -1.655 18399 1385 1 4 . 1 1 69 69 SER CB C 63 64.803 64.803 62.054 2.748 18399 1386 1 4 . 1 1 69 69 SER H H 63 8.073 8.073 8.661 -0.588 18399 1387 1 4 . 1 1 70 70 ALA N N 64 123.286 123.286 119.561 3.725 18399 1388 1 4 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.512 -0.256 18399 1389 1 4 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.225 1.341 18399 1390 1 4 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.697 -1.455 18399 1391 1 4 . 1 1 70 70 ALA H H 64 8.492 8.492 7.959 0.533 18399 1392 1 4 . 1 1 71 71 GLY N N 65 110.294 110.294 108.164 2.130 18399 1393 1 4 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.597 0.530 18399 1394 1 4 . 1 1 71 71 GLY H H 65 8.907 8.907 8.038 0.869 18399 1395 1 4 . 1 1 72 72 ALA N N 66 123.229 123.229 128.948 -5.719 18399 1396 1 4 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.235 0.053 18399 1397 1 4 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.210 0.666 18399 1398 1 4 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.421 0.405 18399 1399 1 4 . 1 1 72 72 ALA H H 66 7.572 7.572 8.662 -1.090 18399 1400 1 4 . 1 1 73 73 THR N N 67 116.161 116.161 115.071 1.090 18399 1401 1 4 . 1 1 73 73 THR HA H 67 5.060 5.060 4.397 0.663 18399 1402 1 4 . 1 1 73 73 THR CA C 67 61.493 61.493 60.123 1.369 18399 1403 1 4 . 1 1 73 73 THR CB C 67 71.022 71.022 71.126 -0.104 18399 1404 1 4 . 1 1 73 73 THR H H 67 8.253 8.253 8.630 -0.377 18399 1405 1 4 . 1 1 74 74 PHE N N 68 124.518 124.518 126.340 -1.822 18399 1406 1 4 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.181 0.188 18399 1407 1 4 . 1 1 74 74 PHE CA C 68 54.013 54.013 55.995 -1.982 18399 1408 1 4 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.608 -0.715 18399 1409 1 4 . 1 1 74 74 PHE H H 68 8.989 8.989 8.335 0.654 18399 1410 1 4 . 1 1 75 75 HIS N N 69 120.835 120.835 127.166 -6.331 18399 1411 1 4 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.775 0.371 18399 1412 1 4 . 1 1 75 75 HIS CA C 69 56.131 56.131 55.092 1.039 18399 1413 1 4 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.350 0.234 18399 1414 1 4 . 1 1 75 75 HIS H H 69 9.300 9.300 8.809 0.491 18399 1415 1 4 . 1 1 76 76 MET N N 70 122.731 122.731 122.592 0.139 18399 1416 1 4 . 1 1 76 76 MET HA H 70 5.199 5.199 4.615 0.584 18399 1417 1 4 . 1 1 76 76 MET CA C 70 54.683 54.683 54.753 -0.070 18399 1418 1 4 . 1 1 76 76 MET CB C 70 35.426 35.426 35.592 -0.166 18399 1419 1 4 . 1 1 76 76 MET H H 70 8.563 8.563 8.277 0.286 18399 1420 1 4 . 1 1 77 77 VAL N N 71 128.801 128.801 127.098 1.703 18399 1421 1 4 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.297 -0.020 18399 1422 1 4 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.980 0.363 18399 1423 1 4 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.211 1.445 18399 1424 1 4 . 1 1 77 77 VAL H H 71 9.118 9.118 8.452 0.666 18399 1425 1 4 . 1 1 78 78 VAL N N 72 125.528 125.528 128.694 -3.166 18399 1426 1 4 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.294 0.324 18399 1427 1 4 . 1 1 78 78 VAL CA C 72 61.485 61.485 60.435 1.050 18399 1428 1 4 . 1 1 78 78 VAL CB C 72 32.311 32.311 32.337 -0.026 18399 1429 1 4 . 1 1 78 78 VAL H H 72 8.544 8.544 8.352 0.192 18399 1430 1 4 . 1 1 79 79 ALA N N 73 131.664 131.664 131.791 -0.127 18399 1431 1 4 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.728 -0.405 18399 1432 1 4 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.712 0.034 18399 1433 1 4 . 1 1 79 79 ALA CB C 73 19.445 19.445 18.493 0.952 18399 1434 1 4 . 1 1 79 79 ALA H H 73 8.957 8.957 8.630 0.327 18399 1435 1 4 . 1 1 80 80 LEU N N 74 120.722 120.722 121.608 -0.886 18399 1436 1 4 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.381 -0.102 18399 1437 1 4 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.250 -0.059 18399 1438 1 4 . 1 1 80 80 LEU CB C 74 42.356 42.356 42.631 -0.275 18399 1439 1 4 . 1 1 80 80 LEU H H 74 8.193 8.193 8.560 -0.367 18399 1440 1 4 . 1 1 81 81 ARG N N 75 121.022 121.022 120.572 0.450 18399 1441 1 4 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.244 0.050 18399 1442 1 4 . 1 1 81 81 ARG CA C 75 55.604 55.604 55.900 -0.296 18399 1443 1 4 . 1 1 81 81 ARG CB C 75 30.856 30.856 30.604 0.253 18399 1444 1 4 . 1 1 81 81 ARG H H 75 8.207 8.207 7.941 0.266 18399 1445 1 4 . 1 1 82 82 ALA N N 76 125.815 125.815 122.539 3.276 18399 1446 1 4 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.231 0.047 18399 1447 1 4 . 1 1 82 82 ALA CA C 76 52.478 52.478 52.081 0.397 18399 1448 1 4 . 1 1 82 82 ALA CB C 76 18.813 18.813 19.446 -0.633 18399 1449 1 4 . 1 1 82 82 ALA H H 76 8.471 8.471 8.274 0.197 18399 1450 1 4 . 1 1 83 83 GLY N N 77 109.110 109.110 106.159 2.951 18399 1451 1 4 . 1 1 83 83 GLY CA C 77 45.336 45.336 44.142 1.194 18399 1452 1 4 . 1 1 83 83 GLY H H 77 8.506 8.506 8.272 0.234 18399 1453 1 5 . 1 1 8 8 LEU N N 2 125.142 125.142 121.193 3.949 18399 1454 1 5 . 1 1 8 8 LEU HA H 2 4.474 4.474 4.986 -0.512 18399 1455 1 5 . 1 1 8 8 LEU CA C 2 55.275 55.275 54.060 1.215 18399 1456 1 5 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.538 -1.636 18399 1457 1 5 . 1 1 8 8 LEU H H 2 8.251 8.251 7.749 0.502 18399 1458 1 5 . 1 1 9 9 LEU N N 3 126.326 126.326 121.548 4.778 18399 1459 1 5 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.933 -0.137 18399 1460 1 5 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.323 -0.280 18399 1461 1 5 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.085 -1.577 18399 1462 1 5 . 1 1 9 9 LEU H H 3 8.307 8.307 7.965 0.342 18399 1463 1 5 . 1 1 10 10 LYS N N 4 121.349 121.349 123.952 -2.603 18399 1464 1 5 . 1 1 10 10 LYS HA H 4 5.080 5.080 5.132 -0.052 18399 1465 1 5 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.468 0.164 18399 1466 1 5 . 1 1 10 10 LYS CB C 4 34.425 34.425 34.084 0.341 18399 1467 1 5 . 1 1 10 10 LYS H H 4 8.428 8.428 8.467 -0.039 18399 1468 1 5 . 1 1 11 11 VAL N N 5 122.408 122.408 122.985 -0.577 18399 1469 1 5 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.773 -0.085 18399 1470 1 5 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.557 0.769 18399 1471 1 5 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.541 1.289 18399 1472 1 5 . 1 1 11 11 VAL H H 5 9.088 9.088 8.489 0.599 18399 1473 1 5 . 1 1 12 12 LYS N N 6 127.778 127.778 124.902 2.876 18399 1474 1 5 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.282 0.070 18399 1475 1 5 . 1 1 12 12 LYS CA C 6 54.675 54.675 53.949 0.726 18399 1476 1 5 . 1 1 12 12 LYS CB C 6 34.184 34.184 34.965 -0.781 18399 1477 1 5 . 1 1 12 12 LYS H H 6 9.029 9.029 8.632 0.397 18399 1478 1 5 . 1 1 13 13 THR N N 7 116.723 116.723 114.144 2.579 18399 1479 1 5 . 1 1 13 13 THR HA H 7 4.860 4.860 4.630 0.230 18399 1480 1 5 . 1 1 13 13 THR CA C 7 60.392 60.392 60.058 0.334 18399 1481 1 5 . 1 1 13 13 THR CB C 7 71.189 71.189 71.120 0.069 18399 1482 1 5 . 1 1 13 13 THR H H 7 8.790 8.790 8.326 0.464 18399 1483 1 5 . 1 1 14 14 VAL N N 8 119.340 119.340 120.118 -0.778 18399 1484 1 5 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.166 -0.063 18399 1485 1 5 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.180 0.532 18399 1486 1 5 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.788 -0.628 18399 1487 1 5 . 1 1 14 14 VAL H H 8 8.872 8.872 8.677 0.195 18399 1488 1 5 . 1 1 15 15 SER N N 9 114.630 114.630 116.124 -1.494 18399 1489 1 5 . 1 1 15 15 SER HA H 9 4.513 4.513 4.490 0.023 18399 1490 1 5 . 1 1 15 15 SER CA C 9 57.913 57.913 58.338 -0.425 18399 1491 1 5 . 1 1 15 15 SER CB C 9 63.243 63.243 63.218 0.025 18399 1492 1 5 . 1 1 15 15 SER H H 9 7.859 7.859 7.678 0.181 18399 1493 1 5 . 1 1 16 16 ASN N N 10 115.509 115.509 117.660 -2.151 18399 1494 1 5 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.357 -0.165 18399 1495 1 5 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.826 0.135 18399 1496 1 5 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.526 -1.231 18399 1497 1 5 . 1 1 16 16 ASN H H 10 8.229 8.229 8.046 0.183 18399 1498 1 5 . 1 1 17 17 LYS N N 11 120.345 120.345 119.608 0.737 18399 1499 1 5 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.516 -0.261 18399 1500 1 5 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.052 1.295 18399 1501 1 5 . 1 1 17 17 LYS CB C 11 32.936 32.936 33.116 -0.180 18399 1502 1 5 . 1 1 17 17 LYS H H 11 7.315 7.315 7.602 -0.287 18399 1503 1 5 . 1 1 18 18 VAL N N 12 125.270 125.270 125.189 0.081 18399 1504 1 5 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.577 0.060 18399 1505 1 5 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.617 0.132 18399 1506 1 5 . 1 1 18 18 VAL CB C 12 32.192 32.192 33.040 -0.848 18399 1507 1 5 . 1 1 18 18 VAL H H 12 8.576 8.576 8.276 0.300 18399 1508 1 5 . 1 1 19 19 ILE N N 13 130.928 130.928 127.478 3.450 18399 1509 1 5 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.419 -0.266 18399 1510 1 5 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.493 0.952 18399 1511 1 5 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.920 0.275 18399 1512 1 5 . 1 1 19 19 ILE H H 13 9.486 9.486 8.785 0.701 18399 1513 1 5 . 1 1 20 20 GLN N N 14 124.762 124.762 126.519 -1.757 18399 1514 1 5 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.840 0.222 18399 1515 1 5 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.608 0.186 18399 1516 1 5 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.402 0.199 18399 1517 1 5 . 1 1 20 20 GLN H H 14 8.803 8.803 8.457 0.346 18399 1518 1 5 . 1 1 21 21 ILE N N 15 126.010 126.010 119.997 6.013 18399 1519 1 5 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.702 -0.189 18399 1520 1 5 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.684 -0.045 18399 1521 1 5 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.762 -1.591 18399 1522 1 5 . 1 1 21 21 ILE H H 15 9.076 9.076 8.066 1.010 18399 1523 1 5 . 1 1 22 22 THR N N 16 118.074 118.074 118.035 0.039 18399 1524 1 5 . 1 1 22 22 THR HA H 16 4.904 4.904 4.465 0.439 18399 1525 1 5 . 1 1 22 22 THR CA C 16 61.462 61.462 61.109 0.353 18399 1526 1 5 . 1 1 22 22 THR CB C 16 69.657 69.657 68.639 1.018 18399 1527 1 5 . 1 1 22 22 THR H H 16 9.047 9.047 8.501 0.546 18399 1528 1 5 . 1 1 23 23 SER N N 17 113.130 113.130 116.686 -3.556 18399 1529 1 5 . 1 1 23 23 SER HA H 17 4.440 4.440 4.625 -0.185 18399 1530 1 5 . 1 1 23 23 SER CA C 17 58.002 58.002 58.398 -0.396 18399 1531 1 5 . 1 1 23 23 SER CB C 17 64.268 64.268 63.736 0.532 18399 1532 1 5 . 1 1 23 23 SER H H 17 7.330 7.330 7.961 -0.631 18399 1533 1 5 . 1 1 24 24 LEU N N 18 123.241 123.241 125.092 -1.851 18399 1534 1 5 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.715 0.024 18399 1535 1 5 . 1 1 24 24 LEU CA C 18 53.858 53.858 54.084 -0.226 18399 1536 1 5 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.604 -2.114 18399 1537 1 5 . 1 1 24 24 LEU H H 18 8.728 8.728 8.088 0.640 18399 1538 1 5 . 1 1 25 25 THR N N 19 111.915 111.915 114.435 -2.520 18399 1539 1 5 . 1 1 25 25 THR HA H 19 4.816 4.816 4.226 0.590 18399 1540 1 5 . 1 1 25 25 THR CA C 19 59.575 59.575 61.557 -1.982 18399 1541 1 5 . 1 1 25 25 THR CB C 19 72.043 72.043 70.287 1.756 18399 1542 1 5 . 1 1 25 25 THR H H 19 9.363 9.363 8.360 1.003 18399 1543 1 5 . 1 1 26 26 ASP N N 20 117.183 117.183 116.595 0.588 18399 1544 1 5 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.554 -0.221 18399 1545 1 5 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.721 2.008 18399 1546 1 5 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.383 -2.001 18399 1547 1 5 . 1 1 26 26 ASP H H 20 8.785 8.785 8.446 0.339 18399 1548 1 5 . 1 1 27 27 ASP N N 21 116.327 116.327 119.824 -3.497 18399 1549 1 5 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.647 0.027 18399 1550 1 5 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.517 -1.747 18399 1551 1 5 . 1 1 27 27 ASP CB C 21 42.294 42.294 42.224 0.070 18399 1552 1 5 . 1 1 27 27 ASP H H 21 7.775 7.775 8.258 -0.483 18399 1553 1 5 . 1 1 28 28 ASN N N 22 117.269 117.269 113.490 3.779 18399 1554 1 5 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.836 0.056 18399 1555 1 5 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.104 1.706 18399 1556 1 5 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.925 0.176 18399 1557 1 5 . 1 1 28 28 ASN H H 22 7.829 7.829 8.473 -0.644 18399 1558 1 5 . 1 1 29 29 THR N N 23 108.639 108.639 114.796 -6.157 18399 1559 1 5 . 1 1 29 29 THR HA H 23 5.206 5.206 3.854 1.352 18399 1560 1 5 . 1 1 29 29 THR CA C 23 59.830 59.830 65.957 -6.127 18399 1561 1 5 . 1 1 29 29 THR CB C 23 72.396 72.396 67.635 4.761 18399 1562 1 5 . 1 1 29 29 THR H H 23 9.145 9.145 8.219 0.926 18399 1563 1 5 . 1 1 30 30 ILE N N 24 120.336 120.336 122.464 -2.128 18399 1564 1 5 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.848 -0.162 18399 1565 1 5 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.138 -3.558 18399 1566 1 5 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.797 -4.453 18399 1567 1 5 . 1 1 30 30 ILE H H 24 8.477 8.477 8.119 0.358 18399 1568 1 5 . 1 1 31 31 ALA N N 25 123.489 123.489 122.483 1.006 18399 1569 1 5 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.151 -0.280 18399 1570 1 5 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.319 0.637 18399 1571 1 5 . 1 1 31 31 ALA CB C 25 18.160 18.160 18.139 0.021 18399 1572 1 5 . 1 1 31 31 ALA H H 25 8.951 8.951 7.697 1.254 18399 1573 1 5 . 1 1 32 32 GLU N N 26 120.101 120.101 119.086 1.015 18399 1574 1 5 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.143 -0.128 18399 1575 1 5 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.098 0.253 18399 1576 1 5 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.235 -0.513 18399 1577 1 5 . 1 1 32 32 GLU H H 26 7.988 7.988 8.544 -0.556 18399 1578 1 5 . 1 1 33 33 LEU N N 27 124.025 124.025 120.297 3.728 18399 1579 1 5 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.007 0.026 18399 1580 1 5 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.865 0.797 18399 1581 1 5 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.197 -2.040 18399 1582 1 5 . 1 1 33 33 LEU H H 27 8.083 8.083 7.662 0.421 18399 1583 1 5 . 1 1 34 34 LYS N N 28 119.471 119.471 118.608 0.863 18399 1584 1 5 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.129 -0.330 18399 1585 1 5 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.652 1.858 18399 1586 1 5 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.657 0.191 18399 1587 1 5 . 1 1 34 34 LYS H H 28 8.746 8.746 8.617 0.129 18399 1588 1 5 . 1 1 35 35 GLY N N 29 106.034 106.034 107.872 -1.838 18399 1589 1 5 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.843 0.199 18399 1590 1 5 . 1 1 35 35 GLY H H 29 8.096 8.096 8.429 -0.333 18399 1591 1 5 . 1 1 36 36 LYS N N 30 121.196 121.196 122.428 -1.232 18399 1592 1 5 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.155 0.082 18399 1593 1 5 . 1 1 36 36 LYS CA C 30 57.342 57.342 59.150 -1.808 18399 1594 1 5 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.419 -1.886 18399 1595 1 5 . 1 1 36 36 LYS H H 30 7.704 7.704 7.782 -0.078 18399 1596 1 5 . 1 1 37 37 LEU N N 31 121.657 121.657 120.736 0.921 18399 1597 1 5 . 1 1 37 37 LEU HA H 31 4.295 4.295 3.999 0.296 18399 1598 1 5 . 1 1 37 37 LEU CA C 31 57.282 57.282 58.181 -0.899 18399 1599 1 5 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.127 0.065 18399 1600 1 5 . 1 1 37 37 LEU H H 31 7.948 7.948 8.111 -0.163 18399 1601 1 5 . 1 1 38 38 GLU N N 32 123.295 123.295 118.927 4.368 18399 1602 1 5 . 1 1 38 38 GLU HA H 32 4.354 4.354 4.010 0.344 18399 1603 1 5 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.823 0.481 18399 1604 1 5 . 1 1 38 38 GLU CB C 32 29.339 29.339 28.744 0.595 18399 1605 1 5 . 1 1 38 38 GLU H H 32 8.714 8.714 8.207 0.507 18399 1606 1 5 . 1 1 39 39 GLU N N 33 118.296 118.296 119.799 -1.503 18399 1607 1 5 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.046 -0.060 18399 1608 1 5 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.553 0.589 18399 1609 1 5 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.629 -0.027 18399 1610 1 5 . 1 1 39 39 GLU H H 33 7.470 7.470 7.855 -0.385 18399 1611 1 5 . 1 1 40 40 SER N N 34 112.266 112.266 114.484 -2.218 18399 1612 1 5 . 1 1 40 40 SER CA C 34 61.150 61.150 61.072 0.078 18399 1613 1 5 . 1 1 40 40 SER CB C 34 63.578 63.578 63.173 0.404 18399 1614 1 5 . 1 1 40 40 SER H H 34 8.054 8.054 7.848 0.206 18399 1615 1 5 . 1 1 41 41 GLU N N 35 116.449 116.449 118.687 -2.238 18399 1616 1 5 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.357 0.010 18399 1617 1 5 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.592 -1.536 18399 1618 1 5 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.350 0.194 18399 1619 1 5 . 1 1 41 41 GLU H H 35 8.908 8.908 7.781 1.127 18399 1620 1 5 . 1 1 42 42 GLY N N 36 108.168 108.168 108.660 -0.492 18399 1621 1 5 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.049 0.375 18399 1622 1 5 . 1 1 42 42 GLY H H 36 7.930 7.930 7.976 -0.046 18399 1623 1 5 . 1 1 43 43 ILE N N 37 120.326 120.326 116.447 3.879 18399 1624 1 5 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.597 -0.867 18399 1625 1 5 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.534 1.685 18399 1626 1 5 . 1 1 43 43 ILE H H 37 6.446 6.446 7.328 -0.882 18399 1627 1 5 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.612 -0.436 18399 1628 1 5 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.566 0.452 18399 1629 1 5 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.731 -0.572 18399 1630 1 5 . 1 1 45 45 GLY N N 39 111.710 111.710 109.363 2.347 18399 1631 1 5 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.610 0.996 18399 1632 1 5 . 1 1 45 45 GLY H H 39 9.228 9.228 8.816 0.412 18399 1633 1 5 . 1 1 46 46 ASN N N 40 114.967 114.967 114.317 0.650 18399 1634 1 5 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.685 -0.173 18399 1635 1 5 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.493 0.980 18399 1636 1 5 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.120 -1.610 18399 1637 1 5 . 1 1 46 46 ASN H H 40 8.325 8.325 7.934 0.391 18399 1638 1 5 . 1 1 47 47 MET N N 41 118.446 118.446 119.651 -1.205 18399 1639 1 5 . 1 1 47 47 MET HA H 41 4.557 4.557 4.482 0.075 18399 1640 1 5 . 1 1 47 47 MET CA C 41 54.886 54.886 56.426 -1.540 18399 1641 1 5 . 1 1 47 47 MET CB C 41 32.632 32.632 33.665 -1.033 18399 1642 1 5 . 1 1 47 47 MET H H 41 8.247 8.247 7.966 0.281 18399 1643 1 5 . 1 1 48 48 ILE N N 42 119.569 119.569 116.944 2.625 18399 1644 1 5 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.760 0.336 18399 1645 1 5 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.542 1.207 18399 1646 1 5 . 1 1 48 48 ILE CB C 42 39.436 39.436 34.909 4.527 18399 1647 1 5 . 1 1 48 48 ILE H H 42 7.422 7.422 7.830 -0.408 18399 1648 1 5 . 1 1 49 49 ARG N N 43 127.179 127.179 120.766 6.413 18399 1649 1 5 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.597 -0.017 18399 1650 1 5 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.019 -0.057 18399 1651 1 5 . 1 1 49 49 ARG CB C 43 31.029 31.029 31.059 -0.030 18399 1652 1 5 . 1 1 49 49 ARG H H 43 8.967 8.967 7.861 1.106 18399 1653 1 5 . 1 1 50 50 LEU N N 44 122.639 122.639 121.829 0.810 18399 1654 1 5 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.144 0.263 18399 1655 1 5 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.328 -0.633 18399 1656 1 5 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.517 3.139 18399 1657 1 5 . 1 1 50 50 LEU H H 44 8.603 8.603 8.408 0.195 18399 1658 1 5 . 1 1 51 51 VAL N N 45 121.931 121.931 118.607 3.324 18399 1659 1 5 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.826 -0.118 18399 1660 1 5 . 1 1 51 51 VAL CA C 45 60.583 60.583 61.551 -0.968 18399 1661 1 5 . 1 1 51 51 VAL CB C 45 34.601 34.601 33.382 1.219 18399 1662 1 5 . 1 1 51 51 VAL H H 45 8.960 8.960 8.300 0.660 18399 1663 1 5 . 1 1 52 52 TYR N N 46 126.384 126.384 128.516 -2.132 18399 1664 1 5 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.873 0.216 18399 1665 1 5 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.231 -0.156 18399 1666 1 5 . 1 1 52 52 TYR CB C 46 41.669 41.669 40.026 1.643 18399 1667 1 5 . 1 1 52 52 TYR H H 46 8.879 8.879 8.908 -0.029 18399 1668 1 5 . 1 1 53 53 GLN N N 47 127.041 127.041 128.179 -1.138 18399 1669 1 5 . 1 1 53 53 GLN HA H 47 3.656 3.656 4.023 -0.367 18399 1670 1 5 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.606 -0.332 18399 1671 1 5 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.506 -2.065 18399 1672 1 5 . 1 1 53 53 GLN H H 47 9.323 9.323 9.512 -0.189 18399 1673 1 5 . 1 1 54 54 GLY N N 48 102.991 102.991 102.158 0.833 18399 1674 1 5 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.175 0.199 18399 1675 1 5 . 1 1 54 54 GLY H H 48 8.358 8.358 8.669 -0.311 18399 1676 1 5 . 1 1 55 55 LYS N N 49 121.595 121.595 120.922 0.673 18399 1677 1 5 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.642 -0.025 18399 1678 1 5 . 1 1 55 55 LYS CA C 49 54.340 54.340 55.285 -0.945 18399 1679 1 5 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.638 -0.437 18399 1680 1 5 . 1 1 55 55 LYS H H 49 7.819 7.819 7.990 -0.171 18399 1681 1 5 . 1 1 56 56 GLN N N 50 122.484 122.484 119.331 3.153 18399 1682 1 5 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.782 -0.197 18399 1683 1 5 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.627 1.151 18399 1684 1 5 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.882 -2.181 18399 1685 1 5 . 1 1 56 56 GLN H H 50 8.757 8.757 8.470 0.287 18399 1686 1 5 . 1 1 57 57 LEU N N 51 125.130 125.130 120.156 4.974 18399 1687 1 5 . 1 1 57 57 LEU HA H 51 4.300 4.300 3.964 0.336 18399 1688 1 5 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.226 -1.087 18399 1689 1 5 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.243 0.982 18399 1690 1 5 . 1 1 57 57 LEU H H 51 8.442 8.442 8.935 -0.493 18399 1691 1 5 . 1 1 58 58 GLU N N 52 122.551 122.551 121.380 1.171 18399 1692 1 5 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.483 -0.024 18399 1693 1 5 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.657 -0.547 18399 1694 1 5 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.224 0.822 18399 1695 1 5 . 1 1 58 58 GLU H H 52 8.125 8.125 8.815 -0.690 18399 1696 1 5 . 1 1 59 59 ASP N N 53 122.235 122.235 122.098 0.137 18399 1697 1 5 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.378 -0.233 18399 1698 1 5 . 1 1 59 59 ASP CA C 53 57.699 57.699 57.898 -0.199 18399 1699 1 5 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.752 0.259 18399 1700 1 5 . 1 1 59 59 ASP H H 53 8.346 8.346 8.733 -0.387 18399 1701 1 5 . 1 1 60 60 GLU N N 54 113.128 113.128 116.490 -3.362 18399 1702 1 5 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.138 0.177 18399 1703 1 5 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.109 -0.773 18399 1704 1 5 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.564 -0.522 18399 1705 1 5 . 1 1 60 60 GLU H H 54 8.756 8.756 8.495 0.261 18399 1706 1 5 . 1 1 61 61 LYS N N 55 119.869 119.869 118.975 0.894 18399 1707 1 5 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.443 -0.192 18399 1708 1 5 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.802 1.155 18399 1709 1 5 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.542 1.402 18399 1710 1 5 . 1 1 61 61 LYS H H 55 7.677 7.677 7.654 0.023 18399 1711 1 5 . 1 1 62 62 ARG N N 56 117.724 117.724 120.189 -2.465 18399 1712 1 5 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.170 0.554 18399 1713 1 5 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.728 2.392 18399 1714 1 5 . 1 1 62 62 ARG H H 56 8.797 8.797 7.665 1.132 18399 1715 1 5 . 1 1 63 63 LEU N N 57 123.223 123.223 121.752 1.471 18399 1716 1 5 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.227 -0.189 18399 1717 1 5 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.393 2.031 18399 1718 1 5 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.718 -1.320 18399 1719 1 5 . 1 1 63 63 LEU H H 57 8.728 8.728 8.417 0.311 18399 1720 1 5 . 1 1 64 64 LYS N N 58 114.073 114.073 118.031 -3.958 18399 1721 1 5 . 1 1 64 64 LYS HA H 58 4.409 4.409 4.030 0.379 18399 1722 1 5 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.156 -1.322 18399 1723 1 5 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.548 -0.424 18399 1724 1 5 . 1 1 64 64 LYS H H 58 8.681 8.681 8.361 0.320 18399 1725 1 5 . 1 1 65 65 ASP N N 59 120.640 120.640 118.945 1.695 18399 1726 1 5 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.514 -0.095 18399 1727 1 5 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.786 0.720 18399 1728 1 5 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.849 -0.801 18399 1729 1 5 . 1 1 65 65 ASP H H 59 7.862 7.862 8.129 -0.267 18399 1730 1 5 . 1 1 66 66 TYR N N 60 117.775 117.775 119.801 -2.026 18399 1731 1 5 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.265 0.351 18399 1732 1 5 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.069 -1.919 18399 1733 1 5 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.949 0.380 18399 1734 1 5 . 1 1 66 66 TYR H H 60 7.545 7.545 8.035 -0.490 18399 1735 1 5 . 1 1 67 67 GLN N N 61 117.450 117.450 117.677 -0.227 18399 1736 1 5 . 1 1 67 67 GLN HA H 61 4.183 4.183 3.972 0.211 18399 1737 1 5 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.267 -0.650 18399 1738 1 5 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.473 -1.895 18399 1739 1 5 . 1 1 67 67 GLN H H 61 8.155 8.155 7.795 0.360 18399 1740 1 5 . 1 1 68 68 MET N N 62 120.193 120.193 118.206 1.987 18399 1741 1 5 . 1 1 68 68 MET HA H 62 4.470 4.470 4.378 0.092 18399 1742 1 5 . 1 1 68 68 MET CA C 62 55.767 55.767 55.835 -0.068 18399 1743 1 5 . 1 1 68 68 MET CB C 62 33.105 33.105 32.627 0.478 18399 1744 1 5 . 1 1 68 68 MET H H 62 7.997 7.997 7.427 0.570 18399 1745 1 5 . 1 1 69 69 SER N N 63 116.722 116.722 112.473 4.249 18399 1746 1 5 . 1 1 69 69 SER HA H 63 4.530 4.530 4.282 0.248 18399 1747 1 5 . 1 1 69 69 SER CA C 63 57.654 57.654 59.904 -2.250 18399 1748 1 5 . 1 1 69 69 SER CB C 63 64.803 64.803 62.085 2.718 18399 1749 1 5 . 1 1 69 69 SER H H 63 8.073 8.073 8.679 -0.606 18399 1750 1 5 . 1 1 70 70 ALA N N 64 123.286 123.286 120.045 3.241 18399 1751 1 5 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.432 -0.176 18399 1752 1 5 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.100 1.466 18399 1753 1 5 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.481 -1.239 18399 1754 1 5 . 1 1 70 70 ALA H H 64 8.492 8.492 8.063 0.429 18399 1755 1 5 . 1 1 71 71 GLY N N 65 110.294 110.294 107.696 2.598 18399 1756 1 5 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.568 0.559 18399 1757 1 5 . 1 1 71 71 GLY H H 65 8.907 8.907 8.128 0.779 18399 1758 1 5 . 1 1 72 72 ALA N N 66 123.229 123.229 128.566 -5.337 18399 1759 1 5 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.173 0.115 18399 1760 1 5 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.299 0.577 18399 1761 1 5 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.482 0.344 18399 1762 1 5 . 1 1 72 72 ALA H H 66 7.572 7.572 8.633 -1.061 18399 1763 1 5 . 1 1 73 73 THR N N 67 116.161 116.161 114.918 1.243 18399 1764 1 5 . 1 1 73 73 THR HA H 67 5.060 5.060 4.405 0.655 18399 1765 1 5 . 1 1 73 73 THR CA C 67 61.493 61.493 60.664 0.829 18399 1766 1 5 . 1 1 73 73 THR CB C 67 71.022 71.022 71.164 -0.142 18399 1767 1 5 . 1 1 73 73 THR H H 67 8.253 8.253 8.599 -0.346 18399 1768 1 5 . 1 1 74 74 PHE N N 68 124.518 124.518 126.173 -1.655 18399 1769 1 5 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.272 0.097 18399 1770 1 5 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.133 -2.120 18399 1771 1 5 . 1 1 74 74 PHE CB C 68 40.893 40.893 42.013 -1.120 18399 1772 1 5 . 1 1 74 74 PHE H H 68 8.989 8.989 8.427 0.562 18399 1773 1 5 . 1 1 75 75 HIS N N 69 120.835 120.835 127.043 -6.208 18399 1774 1 5 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.795 0.351 18399 1775 1 5 . 1 1 75 75 HIS CA C 69 56.131 56.131 54.980 1.151 18399 1776 1 5 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.169 0.415 18399 1777 1 5 . 1 1 75 75 HIS H H 69 9.300 9.300 8.616 0.684 18399 1778 1 5 . 1 1 76 76 MET N N 70 122.731 122.731 122.883 -0.152 18399 1779 1 5 . 1 1 76 76 MET HA H 70 5.199 5.199 4.532 0.667 18399 1780 1 5 . 1 1 76 76 MET CA C 70 54.683 54.683 54.583 0.100 18399 1781 1 5 . 1 1 76 76 MET CB C 70 35.426 35.426 35.904 -0.478 18399 1782 1 5 . 1 1 76 76 MET H H 70 8.563 8.563 8.136 0.427 18399 1783 1 5 . 1 1 77 77 VAL N N 71 128.801 128.801 126.151 2.650 18399 1784 1 5 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.411 -0.134 18399 1785 1 5 . 1 1 77 77 VAL CA C 71 61.343 61.343 59.792 1.550 18399 1786 1 5 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.422 1.234 18399 1787 1 5 . 1 1 77 77 VAL H H 71 9.118 9.118 8.521 0.597 18399 1788 1 5 . 1 1 78 78 VAL N N 72 125.528 125.528 129.599 -4.071 18399 1789 1 5 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.197 0.421 18399 1790 1 5 . 1 1 78 78 VAL CA C 72 61.485 61.485 61.706 -0.221 18399 1791 1 5 . 1 1 78 78 VAL CB C 72 32.311 32.311 31.272 1.039 18399 1792 1 5 . 1 1 78 78 VAL H H 72 8.544 8.544 8.395 0.149 18399 1793 1 5 . 1 1 79 79 ALA N N 73 131.664 131.664 131.152 0.512 18399 1794 1 5 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.693 -0.370 18399 1795 1 5 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.416 0.330 18399 1796 1 5 . 1 1 79 79 ALA CB C 73 19.445 19.445 18.727 0.717 18399 1797 1 5 . 1 1 79 79 ALA H H 73 8.957 8.957 8.379 0.579 18399 1798 1 5 . 1 1 80 80 LEU N N 74 120.722 120.722 118.484 2.238 18399 1799 1 5 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.585 -0.306 18399 1800 1 5 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.812 -0.621 18399 1801 1 5 . 1 1 80 80 LEU CB C 74 42.356 42.356 41.917 0.438 18399 1802 1 5 . 1 1 80 80 LEU H H 74 8.193 8.193 8.314 -0.121 18399 1803 1 5 . 1 1 81 81 ARG N N 75 121.022 121.022 121.809 -0.787 18399 1804 1 5 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.059 0.235 18399 1805 1 5 . 1 1 81 81 ARG CA C 75 55.604 55.604 58.137 -2.533 18399 1806 1 5 . 1 1 81 81 ARG CB C 75 30.856 30.856 30.174 0.683 18399 1807 1 5 . 1 1 81 81 ARG H H 75 8.207 8.207 8.297 -0.090 18399 1808 1 5 . 1 1 82 82 ALA N N 76 125.815 125.815 118.636 7.179 18399 1809 1 5 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.438 -0.160 18399 1810 1 5 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.718 0.760 18399 1811 1 5 . 1 1 82 82 ALA CB C 76 18.813 18.813 21.048 -2.235 18399 1812 1 5 . 1 1 82 82 ALA H H 76 8.471 8.471 7.700 0.771 18399 1813 1 5 . 1 1 83 83 GLY N N 77 109.110 109.110 108.419 0.691 18399 1814 1 5 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.139 0.197 18399 1815 1 5 . 1 1 83 83 GLY H H 77 8.506 8.506 8.776 -0.270 18399 1816 1 6 . 1 1 8 8 LEU N N 2 125.142 125.142 121.964 3.178 18399 1817 1 6 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.122 -0.648 18399 1818 1 6 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.910 1.365 18399 1819 1 6 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.608 -1.706 18399 1820 1 6 . 1 1 8 8 LEU H H 2 8.251 8.251 7.735 0.516 18399 1821 1 6 . 1 1 9 9 LEU N N 3 126.326 126.326 121.346 4.980 18399 1822 1 6 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.952 -0.156 18399 1823 1 6 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.301 -0.258 18399 1824 1 6 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.017 -1.509 18399 1825 1 6 . 1 1 9 9 LEU H H 3 8.307 8.307 8.133 0.174 18399 1826 1 6 . 1 1 10 10 LYS N N 4 121.349 121.349 123.738 -2.389 18399 1827 1 6 . 1 1 10 10 LYS HA H 4 5.080 5.080 5.077 0.003 18399 1828 1 6 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.784 -0.152 18399 1829 1 6 . 1 1 10 10 LYS CB C 4 34.425 34.425 34.081 0.344 18399 1830 1 6 . 1 1 10 10 LYS H H 4 8.428 8.428 8.530 -0.102 18399 1831 1 6 . 1 1 11 11 VAL N N 5 122.408 122.408 123.019 -0.611 18399 1832 1 6 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.888 -0.200 18399 1833 1 6 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.669 0.657 18399 1834 1 6 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.511 1.319 18399 1835 1 6 . 1 1 11 11 VAL H H 5 9.088 9.088 8.641 0.447 18399 1836 1 6 . 1 1 12 12 LYS N N 6 127.778 127.778 125.784 1.994 18399 1837 1 6 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.234 0.118 18399 1838 1 6 . 1 1 12 12 LYS CA C 6 54.675 54.675 53.969 0.706 18399 1839 1 6 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.346 -1.162 18399 1840 1 6 . 1 1 12 12 LYS H H 6 9.029 9.029 8.720 0.309 18399 1841 1 6 . 1 1 13 13 THR N N 7 116.723 116.723 118.038 -1.315 18399 1842 1 6 . 1 1 13 13 THR HA H 7 4.860 4.860 4.599 0.261 18399 1843 1 6 . 1 1 13 13 THR CA C 7 60.392 60.392 60.172 0.220 18399 1844 1 6 . 1 1 13 13 THR CB C 7 71.189 71.189 70.085 1.104 18399 1845 1 6 . 1 1 13 13 THR H H 7 8.790 8.790 8.413 0.377 18399 1846 1 6 . 1 1 14 14 VAL N N 8 119.340 119.340 121.336 -1.996 18399 1847 1 6 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.089 0.014 18399 1848 1 6 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.634 0.078 18399 1849 1 6 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.873 -0.713 18399 1850 1 6 . 1 1 14 14 VAL H H 8 8.872 8.872 8.583 0.289 18399 1851 1 6 . 1 1 15 15 SER N N 9 114.630 114.630 115.458 -0.828 18399 1852 1 6 . 1 1 15 15 SER HA H 9 4.513 4.513 4.470 0.043 18399 1853 1 6 . 1 1 15 15 SER CA C 9 57.913 57.913 58.449 -0.536 18399 1854 1 6 . 1 1 15 15 SER CB C 9 63.243 63.243 62.964 0.279 18399 1855 1 6 . 1 1 15 15 SER H H 9 7.859 7.859 8.002 -0.143 18399 1856 1 6 . 1 1 16 16 ASN N N 10 115.509 115.509 117.026 -1.517 18399 1857 1 6 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.449 -0.257 18399 1858 1 6 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.577 0.384 18399 1859 1 6 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.236 -0.941 18399 1860 1 6 . 1 1 16 16 ASN H H 10 8.229 8.229 7.857 0.372 18399 1861 1 6 . 1 1 17 17 LYS N N 11 120.345 120.345 119.808 0.537 18399 1862 1 6 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.456 -0.201 18399 1863 1 6 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.263 1.084 18399 1864 1 6 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.945 -0.009 18399 1865 1 6 . 1 1 17 17 LYS H H 11 7.315 7.315 7.534 -0.219 18399 1866 1 6 . 1 1 18 18 VAL N N 12 125.270 125.270 125.086 0.184 18399 1867 1 6 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.576 0.061 18399 1868 1 6 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.455 0.295 18399 1869 1 6 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.797 -0.605 18399 1870 1 6 . 1 1 18 18 VAL H H 12 8.576 8.576 8.237 0.339 18399 1871 1 6 . 1 1 19 19 ILE N N 13 130.928 130.928 128.188 2.740 18399 1872 1 6 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.435 -0.282 18399 1873 1 6 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.687 0.758 18399 1874 1 6 . 1 1 19 19 ILE CB C 13 40.195 40.195 40.326 -0.131 18399 1875 1 6 . 1 1 19 19 ILE H H 13 9.486 9.486 8.931 0.555 18399 1876 1 6 . 1 1 20 20 GLN N N 14 124.762 124.762 126.539 -1.777 18399 1877 1 6 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.901 0.161 18399 1878 1 6 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.597 0.198 18399 1879 1 6 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.894 -0.293 18399 1880 1 6 . 1 1 20 20 GLN H H 14 8.803 8.803 8.467 0.336 18399 1881 1 6 . 1 1 21 21 ILE N N 15 126.010 126.010 120.468 5.542 18399 1882 1 6 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.615 -0.102 18399 1883 1 6 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.568 0.071 18399 1884 1 6 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.805 -1.634 18399 1885 1 6 . 1 1 21 21 ILE H H 15 9.076 9.076 8.184 0.892 18399 1886 1 6 . 1 1 22 22 THR N N 16 118.074 118.074 117.160 0.914 18399 1887 1 6 . 1 1 22 22 THR HA H 16 4.904 4.904 4.514 0.390 18399 1888 1 6 . 1 1 22 22 THR CA C 16 61.462 61.462 61.607 -0.145 18399 1889 1 6 . 1 1 22 22 THR CB C 16 69.657 69.657 68.670 0.987 18399 1890 1 6 . 1 1 22 22 THR H H 16 9.047 9.047 8.553 0.494 18399 1891 1 6 . 1 1 23 23 SER N N 17 113.130 113.130 118.014 -4.884 18399 1892 1 6 . 1 1 23 23 SER HA H 17 4.440 4.440 4.647 -0.207 18399 1893 1 6 . 1 1 23 23 SER CA C 17 58.002 58.002 58.150 -0.148 18399 1894 1 6 . 1 1 23 23 SER CB C 17 64.268 64.268 63.420 0.848 18399 1895 1 6 . 1 1 23 23 SER H H 17 7.330 7.330 8.495 -1.165 18399 1896 1 6 . 1 1 24 24 LEU N N 18 123.241 123.241 124.464 -1.223 18399 1897 1 6 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.842 -0.103 18399 1898 1 6 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.795 0.063 18399 1899 1 6 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.926 -2.436 18399 1900 1 6 . 1 1 24 24 LEU H H 18 8.728 8.728 7.908 0.820 18399 1901 1 6 . 1 1 25 25 THR N N 19 111.915 111.915 115.292 -3.377 18399 1902 1 6 . 1 1 25 25 THR HA H 19 4.816 4.816 4.228 0.588 18399 1903 1 6 . 1 1 25 25 THR CA C 19 59.575 59.575 62.145 -2.570 18399 1904 1 6 . 1 1 25 25 THR CB C 19 72.043 72.043 69.690 2.353 18399 1905 1 6 . 1 1 25 25 THR H H 19 9.363 9.363 8.307 1.056 18399 1906 1 6 . 1 1 26 26 ASP N N 20 117.183 117.183 114.729 2.454 18399 1907 1 6 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.583 -0.250 18399 1908 1 6 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.566 2.163 18399 1909 1 6 . 1 1 26 26 ASP CB C 20 39.382 39.382 40.894 -1.512 18399 1910 1 6 . 1 1 26 26 ASP H H 20 8.785 8.785 8.327 0.458 18399 1911 1 6 . 1 1 27 27 ASP N N 21 116.327 116.327 118.501 -2.174 18399 1912 1 6 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.512 0.162 18399 1913 1 6 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.812 -2.042 18399 1914 1 6 . 1 1 27 27 ASP CB C 21 42.294 42.294 42.360 -0.066 18399 1915 1 6 . 1 1 27 27 ASP H H 21 7.775 7.775 8.251 -0.476 18399 1916 1 6 . 1 1 28 28 ASN N N 22 117.269 117.269 113.517 3.752 18399 1917 1 6 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.799 0.093 18399 1918 1 6 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.375 1.435 18399 1919 1 6 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.654 0.447 18399 1920 1 6 . 1 1 28 28 ASN H H 22 7.829 7.829 8.518 -0.689 18399 1921 1 6 . 1 1 29 29 THR N N 23 108.639 108.639 114.255 -5.616 18399 1922 1 6 . 1 1 29 29 THR HA H 23 5.206 5.206 3.890 1.316 18399 1923 1 6 . 1 1 29 29 THR CA C 23 59.830 59.830 65.978 -6.147 18399 1924 1 6 . 1 1 29 29 THR CB C 23 72.396 72.396 67.792 4.604 18399 1925 1 6 . 1 1 29 29 THR H H 23 9.145 9.145 8.160 0.985 18399 1926 1 6 . 1 1 30 30 ILE N N 24 120.336 120.336 122.451 -2.115 18399 1927 1 6 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.854 -0.168 18399 1928 1 6 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.029 -3.449 18399 1929 1 6 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.791 -4.447 18399 1930 1 6 . 1 1 30 30 ILE H H 24 8.477 8.477 8.112 0.365 18399 1931 1 6 . 1 1 31 31 ALA N N 25 123.489 123.489 122.606 0.883 18399 1932 1 6 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.206 -0.335 18399 1933 1 6 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.304 0.652 18399 1934 1 6 . 1 1 31 31 ALA CB C 25 18.160 18.160 18.133 0.027 18399 1935 1 6 . 1 1 31 31 ALA H H 25 8.951 8.951 7.706 1.245 18399 1936 1 6 . 1 1 32 32 GLU N N 26 120.101 120.101 119.420 0.681 18399 1937 1 6 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.166 -0.151 18399 1938 1 6 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.256 0.095 18399 1939 1 6 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.294 -0.572 18399 1940 1 6 . 1 1 32 32 GLU H H 26 7.988 7.988 8.522 -0.534 18399 1941 1 6 . 1 1 33 33 LEU N N 27 124.025 124.025 120.366 3.659 18399 1942 1 6 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.098 -0.065 18399 1943 1 6 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.880 0.781 18399 1944 1 6 . 1 1 33 33 LEU CB C 27 40.157 40.157 41.758 -1.601 18399 1945 1 6 . 1 1 33 33 LEU H H 27 8.083 8.083 7.647 0.436 18399 1946 1 6 . 1 1 34 34 LYS N N 28 119.471 119.471 118.732 0.739 18399 1947 1 6 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.109 -0.310 18399 1948 1 6 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.761 1.750 18399 1949 1 6 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.789 0.059 18399 1950 1 6 . 1 1 34 34 LYS H H 28 8.746 8.746 8.721 0.025 18399 1951 1 6 . 1 1 35 35 GLY N N 29 106.034 106.034 107.865 -1.831 18399 1952 1 6 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.905 0.137 18399 1953 1 6 . 1 1 35 35 GLY H H 29 8.096 8.096 8.444 -0.348 18399 1954 1 6 . 1 1 36 36 LYS N N 30 121.196 121.196 121.683 -0.487 18399 1955 1 6 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.208 0.029 18399 1956 1 6 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.471 -1.129 18399 1957 1 6 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.245 -1.712 18399 1958 1 6 . 1 1 36 36 LYS H H 30 7.704 7.704 7.793 -0.089 18399 1959 1 6 . 1 1 37 37 LEU N N 31 121.657 121.657 120.909 0.748 18399 1960 1 6 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.096 0.199 18399 1961 1 6 . 1 1 37 37 LEU CA C 31 57.282 57.282 57.992 -0.709 18399 1962 1 6 . 1 1 37 37 LEU CB C 31 42.192 42.192 41.440 0.752 18399 1963 1 6 . 1 1 37 37 LEU H H 31 7.948 7.948 8.220 -0.272 18399 1964 1 6 . 1 1 38 38 GLU N N 32 123.295 123.295 119.055 4.240 18399 1965 1 6 . 1 1 38 38 GLU HA H 32 4.354 4.354 4.049 0.305 18399 1966 1 6 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.854 0.450 18399 1967 1 6 . 1 1 38 38 GLU CB C 32 29.339 29.339 28.616 0.723 18399 1968 1 6 . 1 1 38 38 GLU H H 32 8.714 8.714 8.308 0.406 18399 1969 1 6 . 1 1 39 39 GLU N N 33 118.296 118.296 119.578 -1.282 18399 1970 1 6 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.069 -0.083 18399 1971 1 6 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.921 0.221 18399 1972 1 6 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.541 0.061 18399 1973 1 6 . 1 1 39 39 GLU H H 33 7.470 7.470 7.838 -0.368 18399 1974 1 6 . 1 1 40 40 SER N N 34 112.266 112.266 114.288 -2.022 18399 1975 1 6 . 1 1 40 40 SER CA C 34 61.150 61.150 61.110 0.040 18399 1976 1 6 . 1 1 40 40 SER CB C 34 63.578 63.578 63.178 0.400 18399 1977 1 6 . 1 1 40 40 SER H H 34 8.054 8.054 7.843 0.211 18399 1978 1 6 . 1 1 41 41 GLU N N 35 116.449 116.449 118.524 -2.075 18399 1979 1 6 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.372 -0.005 18399 1980 1 6 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.557 -1.501 18399 1981 1 6 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.438 0.106 18399 1982 1 6 . 1 1 41 41 GLU H H 35 8.908 8.908 7.776 1.132 18399 1983 1 6 . 1 1 42 42 GLY N N 36 108.168 108.168 108.706 -0.538 18399 1984 1 6 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.119 0.305 18399 1985 1 6 . 1 1 42 42 GLY H H 36 7.930 7.930 8.014 -0.084 18399 1986 1 6 . 1 1 43 43 ILE N N 37 120.326 120.326 116.472 3.854 18399 1987 1 6 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.629 -0.899 18399 1988 1 6 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.489 1.730 18399 1989 1 6 . 1 1 43 43 ILE H H 37 6.446 6.446 7.329 -0.883 18399 1990 1 6 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.609 -0.433 18399 1991 1 6 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.533 0.485 18399 1992 1 6 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.791 -0.631 18399 1993 1 6 . 1 1 45 45 GLY N N 39 111.710 111.710 108.825 2.885 18399 1994 1 6 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.793 0.813 18399 1995 1 6 . 1 1 45 45 GLY H H 39 9.228 9.228 8.878 0.350 18399 1996 1 6 . 1 1 46 46 ASN N N 40 114.967 114.967 114.266 0.701 18399 1997 1 6 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.689 -0.177 18399 1998 1 6 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.551 0.922 18399 1999 1 6 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.362 -1.852 18399 2000 1 6 . 1 1 46 46 ASN H H 40 8.325 8.325 7.867 0.458 18399 2001 1 6 . 1 1 47 47 MET N N 41 118.446 118.446 119.249 -0.803 18399 2002 1 6 . 1 1 47 47 MET HA H 41 4.557 4.557 4.478 0.079 18399 2003 1 6 . 1 1 47 47 MET CA C 41 54.886 54.886 56.572 -1.686 18399 2004 1 6 . 1 1 47 47 MET CB C 41 32.632 32.632 33.857 -1.225 18399 2005 1 6 . 1 1 47 47 MET H H 41 8.247 8.247 7.890 0.357 18399 2006 1 6 . 1 1 48 48 ILE N N 42 119.569 119.569 116.859 2.710 18399 2007 1 6 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.806 0.290 18399 2008 1 6 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.675 1.074 18399 2009 1 6 . 1 1 48 48 ILE CB C 42 39.436 39.436 34.880 4.556 18399 2010 1 6 . 1 1 48 48 ILE H H 42 7.422 7.422 7.844 -0.422 18399 2011 1 6 . 1 1 49 49 ARG N N 43 127.179 127.179 121.945 5.234 18399 2012 1 6 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.547 0.033 18399 2013 1 6 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.630 -0.668 18399 2014 1 6 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.179 -1.150 18399 2015 1 6 . 1 1 49 49 ARG H H 43 8.967 8.967 7.884 1.083 18399 2016 1 6 . 1 1 50 50 LEU N N 44 122.639 122.639 122.613 0.026 18399 2017 1 6 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.167 0.240 18399 2018 1 6 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.093 -0.398 18399 2019 1 6 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.943 2.712 18399 2020 1 6 . 1 1 50 50 LEU H H 44 8.603 8.603 8.460 0.143 18399 2021 1 6 . 1 1 51 51 VAL N N 45 121.931 121.931 118.779 3.152 18399 2022 1 6 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.820 -0.112 18399 2023 1 6 . 1 1 51 51 VAL CA C 45 60.583 60.583 61.142 -0.559 18399 2024 1 6 . 1 1 51 51 VAL CB C 45 34.601 34.601 33.405 1.196 18399 2025 1 6 . 1 1 51 51 VAL H H 45 8.960 8.960 8.195 0.765 18399 2026 1 6 . 1 1 52 52 TYR N N 46 126.384 126.384 128.607 -2.223 18399 2027 1 6 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.834 0.255 18399 2028 1 6 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.253 -0.178 18399 2029 1 6 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.991 1.678 18399 2030 1 6 . 1 1 52 52 TYR H H 46 8.879 8.879 8.934 -0.055 18399 2031 1 6 . 1 1 53 53 GLN N N 47 127.041 127.041 128.287 -1.246 18399 2032 1 6 . 1 1 53 53 GLN HA H 47 3.656 3.656 4.004 -0.348 18399 2033 1 6 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.612 -0.339 18399 2034 1 6 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.509 -2.068 18399 2035 1 6 . 1 1 53 53 GLN H H 47 9.323 9.323 9.487 -0.164 18399 2036 1 6 . 1 1 54 54 GLY N N 48 102.991 102.991 102.004 0.987 18399 2037 1 6 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.306 0.067 18399 2038 1 6 . 1 1 54 54 GLY H H 48 8.358 8.358 8.589 -0.231 18399 2039 1 6 . 1 1 55 55 LYS N N 49 121.595 121.595 121.259 0.336 18399 2040 1 6 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.686 -0.069 18399 2041 1 6 . 1 1 55 55 LYS CA C 49 54.340 54.340 54.553 -0.213 18399 2042 1 6 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.554 -0.353 18399 2043 1 6 . 1 1 55 55 LYS H H 49 7.819 7.819 7.993 -0.174 18399 2044 1 6 . 1 1 56 56 GLN N N 50 122.484 122.484 119.375 3.109 18399 2045 1 6 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.735 -0.150 18399 2046 1 6 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.650 1.128 18399 2047 1 6 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.973 -2.272 18399 2048 1 6 . 1 1 56 56 GLN H H 50 8.757 8.757 8.465 0.292 18399 2049 1 6 . 1 1 57 57 LEU N N 51 125.130 125.130 119.278 5.852 18399 2050 1 6 . 1 1 57 57 LEU HA H 51 4.300 4.300 3.933 0.367 18399 2051 1 6 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.572 -1.433 18399 2052 1 6 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.347 0.878 18399 2053 1 6 . 1 1 57 57 LEU H H 51 8.442 8.442 9.014 -0.572 18399 2054 1 6 . 1 1 58 58 GLU N N 52 122.551 122.551 119.949 2.602 18399 2055 1 6 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.434 0.025 18399 2056 1 6 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.529 -0.419 18399 2057 1 6 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.229 0.817 18399 2058 1 6 . 1 1 58 58 GLU H H 52 8.125 8.125 8.624 -0.499 18399 2059 1 6 . 1 1 59 59 ASP N N 53 122.235 122.235 121.897 0.338 18399 2060 1 6 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.375 -0.230 18399 2061 1 6 . 1 1 59 59 ASP CA C 53 57.699 57.699 57.806 -0.107 18399 2062 1 6 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.880 0.131 18399 2063 1 6 . 1 1 59 59 ASP H H 53 8.346 8.346 8.610 -0.264 18399 2064 1 6 . 1 1 60 60 GLU N N 54 113.128 113.128 116.245 -3.117 18399 2065 1 6 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.157 0.158 18399 2066 1 6 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.070 -0.734 18399 2067 1 6 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.619 -0.577 18399 2068 1 6 . 1 1 60 60 GLU H H 54 8.756 8.756 8.491 0.265 18399 2069 1 6 . 1 1 61 61 LYS N N 55 119.869 119.869 119.312 0.557 18399 2070 1 6 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.409 -0.158 18399 2071 1 6 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.545 1.412 18399 2072 1 6 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.538 1.405 18399 2073 1 6 . 1 1 61 61 LYS H H 55 7.677 7.677 7.683 -0.006 18399 2074 1 6 . 1 1 62 62 ARG N N 56 117.724 117.724 120.129 -2.405 18399 2075 1 6 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.147 0.577 18399 2076 1 6 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.772 2.348 18399 2077 1 6 . 1 1 62 62 ARG H H 56 8.797 8.797 7.663 1.134 18399 2078 1 6 . 1 1 63 63 LEU N N 57 123.223 123.223 121.461 1.762 18399 2079 1 6 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.204 -0.166 18399 2080 1 6 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.438 1.986 18399 2081 1 6 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.628 -1.230 18399 2082 1 6 . 1 1 63 63 LEU H H 57 8.728 8.728 8.376 0.352 18399 2083 1 6 . 1 1 64 64 LYS N N 58 114.073 114.073 118.515 -4.442 18399 2084 1 6 . 1 1 64 64 LYS HA H 58 4.409 4.409 3.993 0.416 18399 2085 1 6 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.087 -1.253 18399 2086 1 6 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.599 -0.475 18399 2087 1 6 . 1 1 64 64 LYS H H 58 8.681 8.681 8.271 0.410 18399 2088 1 6 . 1 1 65 65 ASP N N 59 120.640 120.640 118.723 1.917 18399 2089 1 6 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.505 -0.086 18399 2090 1 6 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.706 0.800 18399 2091 1 6 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.892 -0.844 18399 2092 1 6 . 1 1 65 65 ASP H H 59 7.862 7.862 8.098 -0.236 18399 2093 1 6 . 1 1 66 66 TYR N N 60 117.775 117.775 119.923 -2.148 18399 2094 1 6 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.241 0.375 18399 2095 1 6 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.770 -2.620 18399 2096 1 6 . 1 1 66 66 TYR CB C 60 39.329 39.329 39.032 0.297 18399 2097 1 6 . 1 1 66 66 TYR H H 60 7.545 7.545 7.994 -0.449 18399 2098 1 6 . 1 1 67 67 GLN N N 61 117.450 117.450 117.702 -0.252 18399 2099 1 6 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.031 0.152 18399 2100 1 6 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.472 -0.855 18399 2101 1 6 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.449 -1.871 18399 2102 1 6 . 1 1 67 67 GLN H H 61 8.155 8.155 7.957 0.198 18399 2103 1 6 . 1 1 68 68 MET N N 62 120.193 120.193 118.180 2.013 18399 2104 1 6 . 1 1 68 68 MET HA H 62 4.470 4.470 4.352 0.118 18399 2105 1 6 . 1 1 68 68 MET CA C 62 55.767 55.767 55.605 0.161 18399 2106 1 6 . 1 1 68 68 MET CB C 62 33.105 33.105 32.771 0.334 18399 2107 1 6 . 1 1 68 68 MET H H 62 7.997 7.997 7.375 0.622 18399 2108 1 6 . 1 1 69 69 SER N N 63 116.722 116.722 112.081 4.641 18399 2109 1 6 . 1 1 69 69 SER HA H 63 4.530 4.530 4.197 0.333 18399 2110 1 6 . 1 1 69 69 SER CA C 63 57.654 57.654 59.241 -1.587 18399 2111 1 6 . 1 1 69 69 SER CB C 63 64.803 64.803 62.435 2.368 18399 2112 1 6 . 1 1 69 69 SER H H 63 8.073 8.073 8.619 -0.546 18399 2113 1 6 . 1 1 70 70 ALA N N 64 123.286 123.286 120.747 2.539 18399 2114 1 6 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.471 -0.215 18399 2115 1 6 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.009 1.557 18399 2116 1 6 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.666 -1.425 18399 2117 1 6 . 1 1 70 70 ALA H H 64 8.492 8.492 7.998 0.494 18399 2118 1 6 . 1 1 71 71 GLY N N 65 110.294 110.294 107.827 2.467 18399 2119 1 6 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.373 0.754 18399 2120 1 6 . 1 1 71 71 GLY H H 65 8.907 8.907 8.097 0.810 18399 2121 1 6 . 1 1 72 72 ALA N N 66 123.229 123.229 128.733 -5.504 18399 2122 1 6 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.245 0.043 18399 2123 1 6 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.226 0.650 18399 2124 1 6 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.458 0.368 18399 2125 1 6 . 1 1 72 72 ALA H H 66 7.572 7.572 8.689 -1.117 18399 2126 1 6 . 1 1 73 73 THR N N 67 116.161 116.161 114.948 1.213 18399 2127 1 6 . 1 1 73 73 THR HA H 67 5.060 5.060 4.410 0.650 18399 2128 1 6 . 1 1 73 73 THR CA C 67 61.493 61.493 60.224 1.269 18399 2129 1 6 . 1 1 73 73 THR CB C 67 71.022 71.022 71.170 -0.148 18399 2130 1 6 . 1 1 73 73 THR H H 67 8.253 8.253 8.620 -0.367 18399 2131 1 6 . 1 1 74 74 PHE N N 68 124.518 124.518 126.172 -1.654 18399 2132 1 6 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.235 0.134 18399 2133 1 6 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.057 -2.044 18399 2134 1 6 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.465 -0.572 18399 2135 1 6 . 1 1 74 74 PHE H H 68 8.989 8.989 8.487 0.502 18399 2136 1 6 . 1 1 75 75 HIS N N 69 120.835 120.835 126.489 -5.654 18399 2137 1 6 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.742 0.404 18399 2138 1 6 . 1 1 75 75 HIS CA C 69 56.131 56.131 54.667 1.464 18399 2139 1 6 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.944 -0.360 18399 2140 1 6 . 1 1 75 75 HIS H H 69 9.300 9.300 8.686 0.614 18399 2141 1 6 . 1 1 76 76 MET N N 70 122.731 122.731 122.488 0.243 18399 2142 1 6 . 1 1 76 76 MET HA H 70 5.199 5.199 4.529 0.670 18399 2143 1 6 . 1 1 76 76 MET CA C 70 54.683 54.683 54.524 0.159 18399 2144 1 6 . 1 1 76 76 MET CB C 70 35.426 35.426 35.480 -0.054 18399 2145 1 6 . 1 1 76 76 MET H H 70 8.563 8.563 8.116 0.447 18399 2146 1 6 . 1 1 77 77 VAL N N 71 128.801 128.801 126.065 2.736 18399 2147 1 6 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.332 -0.055 18399 2148 1 6 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.379 0.964 18399 2149 1 6 . 1 1 77 77 VAL CB C 71 34.656 34.656 32.742 1.914 18399 2150 1 6 . 1 1 77 77 VAL H H 71 9.118 9.118 8.540 0.578 18399 2151 1 6 . 1 1 78 78 VAL N N 72 125.528 125.528 127.678 -2.150 18399 2152 1 6 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.170 0.448 18399 2153 1 6 . 1 1 78 78 VAL CA C 72 61.485 61.485 61.733 -0.248 18399 2154 1 6 . 1 1 78 78 VAL CB C 72 32.311 32.311 30.943 1.368 18399 2155 1 6 . 1 1 78 78 VAL H H 72 8.544 8.544 8.499 0.045 18399 2156 1 6 . 1 1 79 79 ALA N N 73 131.664 131.664 131.272 0.392 18399 2157 1 6 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.767 -0.444 18399 2158 1 6 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.677 0.069 18399 2159 1 6 . 1 1 79 79 ALA CB C 73 19.445 19.445 19.192 0.253 18399 2160 1 6 . 1 1 79 79 ALA H H 73 8.957 8.957 8.553 0.404 18399 2161 1 6 . 1 1 80 80 LEU N N 74 120.722 120.722 122.635 -1.913 18399 2162 1 6 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.445 -0.166 18399 2163 1 6 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.118 0.073 18399 2164 1 6 . 1 1 80 80 LEU CB C 74 42.356 42.356 42.364 -0.008 18399 2165 1 6 . 1 1 80 80 LEU H H 74 8.193 8.193 8.798 -0.605 18399 2166 1 6 . 1 1 81 81 ARG N N 75 121.022 121.022 119.967 1.055 18399 2167 1 6 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.616 -0.322 18399 2168 1 6 . 1 1 81 81 ARG CA C 75 55.604 55.604 54.745 0.859 18399 2169 1 6 . 1 1 81 81 ARG CB C 75 30.856 30.856 31.556 -0.700 18399 2170 1 6 . 1 1 81 81 ARG H H 75 8.207 8.207 7.746 0.461 18399 2171 1 6 . 1 1 82 82 ALA N N 76 125.815 125.815 122.151 3.664 18399 2172 1 6 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.664 -0.386 18399 2173 1 6 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.679 0.799 18399 2174 1 6 . 1 1 82 82 ALA CB C 76 18.813 18.813 19.457 -0.644 18399 2175 1 6 . 1 1 82 82 ALA H H 76 8.471 8.471 8.405 0.066 18399 2176 1 6 . 1 1 83 83 GLY N N 77 109.110 109.110 108.785 0.325 18399 2177 1 6 . 1 1 83 83 GLY CA C 77 45.336 45.336 44.327 1.009 18399 2178 1 6 . 1 1 83 83 GLY H H 77 8.506 8.506 8.502 0.004 18399 2179 1 7 . 1 1 8 8 LEU N N 2 125.142 125.142 122.615 2.527 18399 2180 1 7 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.147 -0.673 18399 2181 1 7 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.937 1.338 18399 2182 1 7 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.908 -2.006 18399 2183 1 7 . 1 1 8 8 LEU H H 2 8.251 8.251 7.678 0.573 18399 2184 1 7 . 1 1 9 9 LEU N N 3 126.326 126.326 121.306 5.020 18399 2185 1 7 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.964 -0.168 18399 2186 1 7 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.285 -0.242 18399 2187 1 7 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.120 -1.612 18399 2188 1 7 . 1 1 9 9 LEU H H 3 8.307 8.307 8.269 0.038 18399 2189 1 7 . 1 1 10 10 LYS N N 4 121.349 121.349 123.614 -2.265 18399 2190 1 7 . 1 1 10 10 LYS HA H 4 5.080 5.080 4.973 0.107 18399 2191 1 7 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.636 -0.004 18399 2192 1 7 . 1 1 10 10 LYS CB C 4 34.425 34.425 34.187 0.238 18399 2193 1 7 . 1 1 10 10 LYS H H 4 8.428 8.428 8.549 -0.121 18399 2194 1 7 . 1 1 11 11 VAL N N 5 122.408 122.408 122.996 -0.588 18399 2195 1 7 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.922 -0.234 18399 2196 1 7 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.607 0.719 18399 2197 1 7 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.846 0.984 18399 2198 1 7 . 1 1 11 11 VAL H H 5 9.088 9.088 8.588 0.500 18399 2199 1 7 . 1 1 12 12 LYS N N 6 127.778 127.778 125.575 2.203 18399 2200 1 7 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.251 0.101 18399 2201 1 7 . 1 1 12 12 LYS CA C 6 54.675 54.675 54.093 0.582 18399 2202 1 7 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.192 -1.008 18399 2203 1 7 . 1 1 12 12 LYS H H 6 9.029 9.029 8.702 0.327 18399 2204 1 7 . 1 1 13 13 THR N N 7 116.723 116.723 118.907 -2.184 18399 2205 1 7 . 1 1 13 13 THR HA H 7 4.860 4.860 4.756 0.104 18399 2206 1 7 . 1 1 13 13 THR CA C 7 60.392 60.392 61.345 -0.953 18399 2207 1 7 . 1 1 13 13 THR CB C 7 71.189 71.189 70.314 0.875 18399 2208 1 7 . 1 1 13 13 THR H H 7 8.790 8.790 8.377 0.413 18399 2209 1 7 . 1 1 14 14 VAL N N 8 119.340 119.340 121.743 -2.403 18399 2210 1 7 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.115 -0.012 18399 2211 1 7 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.513 0.199 18399 2212 1 7 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.799 -0.639 18399 2213 1 7 . 1 1 14 14 VAL H H 8 8.872 8.872 8.708 0.164 18399 2214 1 7 . 1 1 15 15 SER N N 9 114.630 114.630 115.564 -0.934 18399 2215 1 7 . 1 1 15 15 SER HA H 9 4.513 4.513 4.434 0.079 18399 2216 1 7 . 1 1 15 15 SER CA C 9 57.913 57.913 58.486 -0.573 18399 2217 1 7 . 1 1 15 15 SER CB C 9 63.243 63.243 62.798 0.445 18399 2218 1 7 . 1 1 15 15 SER H H 9 7.859 7.859 7.892 -0.033 18399 2219 1 7 . 1 1 16 16 ASN N N 10 115.509 115.509 117.769 -2.260 18399 2220 1 7 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.424 -0.232 18399 2221 1 7 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.803 0.158 18399 2222 1 7 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.222 -0.927 18399 2223 1 7 . 1 1 16 16 ASN H H 10 8.229 8.229 8.062 0.167 18399 2224 1 7 . 1 1 17 17 LYS N N 11 120.345 120.345 120.029 0.316 18399 2225 1 7 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.474 -0.219 18399 2226 1 7 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.061 1.286 18399 2227 1 7 . 1 1 17 17 LYS CB C 11 32.936 32.936 33.017 -0.081 18399 2228 1 7 . 1 1 17 17 LYS H H 11 7.315 7.315 7.587 -0.272 18399 2229 1 7 . 1 1 18 18 VAL N N 12 125.270 125.270 124.854 0.416 18399 2230 1 7 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.730 -0.093 18399 2231 1 7 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.091 0.658 18399 2232 1 7 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.567 -0.375 18399 2233 1 7 . 1 1 18 18 VAL H H 12 8.576 8.576 8.312 0.264 18399 2234 1 7 . 1 1 19 19 ILE N N 13 130.928 130.928 128.174 2.754 18399 2235 1 7 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.399 -0.246 18399 2236 1 7 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.601 0.844 18399 2237 1 7 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.633 0.562 18399 2238 1 7 . 1 1 19 19 ILE H H 13 9.486 9.486 9.039 0.447 18399 2239 1 7 . 1 1 20 20 GLN N N 14 124.762 124.762 127.157 -2.395 18399 2240 1 7 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.880 0.182 18399 2241 1 7 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.600 0.195 18399 2242 1 7 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.313 0.288 18399 2243 1 7 . 1 1 20 20 GLN H H 14 8.803 8.803 8.519 0.284 18399 2244 1 7 . 1 1 21 21 ILE N N 15 126.010 126.010 121.101 4.909 18399 2245 1 7 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.626 -0.113 18399 2246 1 7 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.690 -0.051 18399 2247 1 7 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.405 -1.234 18399 2248 1 7 . 1 1 21 21 ILE H H 15 9.076 9.076 8.158 0.918 18399 2249 1 7 . 1 1 22 22 THR N N 16 118.074 118.074 117.855 0.219 18399 2250 1 7 . 1 1 22 22 THR HA H 16 4.904 4.904 4.572 0.332 18399 2251 1 7 . 1 1 22 22 THR CA C 16 61.462 61.462 61.502 -0.039 18399 2252 1 7 . 1 1 22 22 THR CB C 16 69.657 69.657 68.336 1.321 18399 2253 1 7 . 1 1 22 22 THR H H 16 9.047 9.047 8.414 0.633 18399 2254 1 7 . 1 1 23 23 SER N N 17 113.130 113.130 119.817 -6.687 18399 2255 1 7 . 1 1 23 23 SER HA H 17 4.440 4.440 4.548 -0.108 18399 2256 1 7 . 1 1 23 23 SER CA C 17 58.002 58.002 58.727 -0.725 18399 2257 1 7 . 1 1 23 23 SER CB C 17 64.268 64.268 63.769 0.499 18399 2258 1 7 . 1 1 23 23 SER H H 17 7.330 7.330 7.995 -0.665 18399 2259 1 7 . 1 1 24 24 LEU N N 18 123.241 123.241 124.910 -1.669 18399 2260 1 7 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.673 0.066 18399 2261 1 7 . 1 1 24 24 LEU CA C 18 53.858 53.858 54.310 -0.452 18399 2262 1 7 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.483 -1.992 18399 2263 1 7 . 1 1 24 24 LEU H H 18 8.728 8.728 8.178 0.550 18399 2264 1 7 . 1 1 25 25 THR N N 19 111.915 111.915 114.354 -2.439 18399 2265 1 7 . 1 1 25 25 THR HA H 19 4.816 4.816 4.332 0.484 18399 2266 1 7 . 1 1 25 25 THR CA C 19 59.575 59.575 60.982 -1.407 18399 2267 1 7 . 1 1 25 25 THR CB C 19 72.043 72.043 70.377 1.665 18399 2268 1 7 . 1 1 25 25 THR H H 19 9.363 9.363 8.405 0.958 18399 2269 1 7 . 1 1 26 26 ASP N N 20 117.183 117.183 115.544 1.639 18399 2270 1 7 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.620 -0.287 18399 2271 1 7 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.785 1.944 18399 2272 1 7 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.315 -1.933 18399 2273 1 7 . 1 1 26 26 ASP H H 20 8.785 8.785 8.443 0.342 18399 2274 1 7 . 1 1 27 27 ASP N N 21 116.327 116.327 118.882 -2.555 18399 2275 1 7 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.579 0.095 18399 2276 1 7 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.373 -1.603 18399 2277 1 7 . 1 1 27 27 ASP CB C 21 42.294 42.294 42.060 0.234 18399 2278 1 7 . 1 1 27 27 ASP H H 21 7.775 7.775 8.401 -0.626 18399 2279 1 7 . 1 1 28 28 ASN N N 22 117.269 117.269 113.812 3.457 18399 2280 1 7 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.835 0.057 18399 2281 1 7 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.112 1.698 18399 2282 1 7 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.704 0.397 18399 2283 1 7 . 1 1 28 28 ASN H H 22 7.829 7.829 8.529 -0.700 18399 2284 1 7 . 1 1 29 29 THR N N 23 108.639 108.639 114.742 -6.103 18399 2285 1 7 . 1 1 29 29 THR HA H 23 5.206 5.206 3.820 1.386 18399 2286 1 7 . 1 1 29 29 THR CA C 23 59.830 59.830 65.928 -6.098 18399 2287 1 7 . 1 1 29 29 THR CB C 23 72.396 72.396 67.704 4.692 18399 2288 1 7 . 1 1 29 29 THR H H 23 9.145 9.145 8.133 1.012 18399 2289 1 7 . 1 1 30 30 ILE N N 24 120.336 120.336 122.447 -2.111 18399 2290 1 7 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.735 -0.049 18399 2291 1 7 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.229 -3.649 18399 2292 1 7 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.670 -4.326 18399 2293 1 7 . 1 1 30 30 ILE H H 24 8.477 8.477 8.034 0.443 18399 2294 1 7 . 1 1 31 31 ALA N N 25 123.489 123.489 122.412 1.077 18399 2295 1 7 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.026 -0.155 18399 2296 1 7 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.304 0.652 18399 2297 1 7 . 1 1 31 31 ALA CB C 25 18.160 18.160 17.883 0.277 18399 2298 1 7 . 1 1 31 31 ALA H H 25 8.951 8.951 7.674 1.277 18399 2299 1 7 . 1 1 32 32 GLU N N 26 120.101 120.101 118.765 1.336 18399 2300 1 7 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.017 -0.002 18399 2301 1 7 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.424 -0.073 18399 2302 1 7 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.275 -0.553 18399 2303 1 7 . 1 1 32 32 GLU H H 26 7.988 7.988 8.616 -0.628 18399 2304 1 7 . 1 1 33 33 LEU N N 27 124.025 124.025 120.231 3.794 18399 2305 1 7 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.003 0.030 18399 2306 1 7 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.736 0.926 18399 2307 1 7 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.147 -1.990 18399 2308 1 7 . 1 1 33 33 LEU H H 27 8.083 8.083 7.799 0.284 18399 2309 1 7 . 1 1 34 34 LYS N N 28 119.471 119.471 118.479 0.992 18399 2310 1 7 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.135 -0.336 18399 2311 1 7 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.562 1.948 18399 2312 1 7 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.661 0.187 18399 2313 1 7 . 1 1 34 34 LYS H H 28 8.746 8.746 8.615 0.131 18399 2314 1 7 . 1 1 35 35 GLY N N 29 106.034 106.034 107.914 -1.880 18399 2315 1 7 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.891 0.151 18399 2316 1 7 . 1 1 35 35 GLY H H 29 8.096 8.096 8.395 -0.299 18399 2317 1 7 . 1 1 36 36 LYS N N 30 121.196 121.196 122.468 -1.272 18399 2318 1 7 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.150 0.087 18399 2319 1 7 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.471 -1.129 18399 2320 1 7 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.214 -1.681 18399 2321 1 7 . 1 1 36 36 LYS H H 30 7.704 7.704 7.819 -0.115 18399 2322 1 7 . 1 1 37 37 LEU N N 31 121.657 121.657 121.116 0.541 18399 2323 1 7 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.056 0.239 18399 2324 1 7 . 1 1 37 37 LEU CA C 31 57.282 57.282 57.908 -0.626 18399 2325 1 7 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.206 -0.014 18399 2326 1 7 . 1 1 37 37 LEU H H 31 7.948 7.948 7.977 -0.029 18399 2327 1 7 . 1 1 38 38 GLU N N 32 123.295 123.295 118.590 4.705 18399 2328 1 7 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.974 0.380 18399 2329 1 7 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.864 0.440 18399 2330 1 7 . 1 1 38 38 GLU CB C 32 29.339 29.339 29.024 0.315 18399 2331 1 7 . 1 1 38 38 GLU H H 32 8.714 8.714 8.078 0.636 18399 2332 1 7 . 1 1 39 39 GLU N N 33 118.296 118.296 120.050 -1.754 18399 2333 1 7 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.060 -0.074 18399 2334 1 7 . 1 1 39 39 GLU CA C 33 59.142 59.142 59.006 0.136 18399 2335 1 7 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.692 -0.090 18399 2336 1 7 . 1 1 39 39 GLU H H 33 7.470 7.470 7.905 -0.435 18399 2337 1 7 . 1 1 40 40 SER N N 34 112.266 112.266 114.623 -2.357 18399 2338 1 7 . 1 1 40 40 SER CA C 34 61.150 61.150 61.054 0.096 18399 2339 1 7 . 1 1 40 40 SER CB C 34 63.578 63.578 63.258 0.320 18399 2340 1 7 . 1 1 40 40 SER H H 34 8.054 8.054 7.798 0.256 18399 2341 1 7 . 1 1 41 41 GLU N N 35 116.449 116.449 119.911 -3.462 18399 2342 1 7 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.383 -0.016 18399 2343 1 7 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.408 -1.352 18399 2344 1 7 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.210 0.334 18399 2345 1 7 . 1 1 41 41 GLU H H 35 8.908 8.908 7.785 1.123 18399 2346 1 7 . 1 1 42 42 GLY N N 36 108.168 108.168 108.791 -0.623 18399 2347 1 7 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.089 0.335 18399 2348 1 7 . 1 1 42 42 GLY H H 36 7.930 7.930 8.037 -0.107 18399 2349 1 7 . 1 1 43 43 ILE N N 37 120.326 120.326 117.492 2.834 18399 2350 1 7 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.572 -0.842 18399 2351 1 7 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.819 1.400 18399 2352 1 7 . 1 1 43 43 ILE H H 37 6.446 6.446 7.345 -0.899 18399 2353 1 7 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.612 -0.436 18399 2354 1 7 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.557 0.461 18399 2355 1 7 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.733 -0.575 18399 2356 1 7 . 1 1 45 45 GLY N N 39 111.710 111.710 110.388 1.322 18399 2357 1 7 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.832 0.774 18399 2358 1 7 . 1 1 45 45 GLY H H 39 9.228 9.228 8.630 0.598 18399 2359 1 7 . 1 1 46 46 ASN N N 40 114.967 114.967 114.074 0.893 18399 2360 1 7 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.654 -0.142 18399 2361 1 7 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.371 1.102 18399 2362 1 7 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.049 -1.539 18399 2363 1 7 . 1 1 46 46 ASN H H 40 8.325 8.325 8.052 0.273 18399 2364 1 7 . 1 1 47 47 MET N N 41 118.446 118.446 119.711 -1.265 18399 2365 1 7 . 1 1 47 47 MET HA H 41 4.557 4.557 4.481 0.076 18399 2366 1 7 . 1 1 47 47 MET CA C 41 54.886 54.886 56.419 -1.532 18399 2367 1 7 . 1 1 47 47 MET CB C 41 32.632 32.632 33.620 -0.988 18399 2368 1 7 . 1 1 47 47 MET H H 41 8.247 8.247 7.976 0.271 18399 2369 1 7 . 1 1 48 48 ILE N N 42 119.569 119.569 117.060 2.509 18399 2370 1 7 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.814 0.282 18399 2371 1 7 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.464 1.285 18399 2372 1 7 . 1 1 48 48 ILE CB C 42 39.436 39.436 35.055 4.381 18399 2373 1 7 . 1 1 48 48 ILE H H 42 7.422 7.422 7.871 -0.449 18399 2374 1 7 . 1 1 49 49 ARG N N 43 127.179 127.179 122.498 4.681 18399 2375 1 7 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.572 0.008 18399 2376 1 7 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.502 -0.540 18399 2377 1 7 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.028 -0.999 18399 2378 1 7 . 1 1 49 49 ARG H H 43 8.967 8.967 7.827 1.140 18399 2379 1 7 . 1 1 50 50 LEU N N 44 122.639 122.639 122.933 -0.294 18399 2380 1 7 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.183 0.224 18399 2381 1 7 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.397 -0.702 18399 2382 1 7 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.780 2.875 18399 2383 1 7 . 1 1 50 50 LEU H H 44 8.603 8.603 8.389 0.214 18399 2384 1 7 . 1 1 51 51 VAL N N 45 121.931 121.931 118.707 3.224 18399 2385 1 7 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.811 -0.103 18399 2386 1 7 . 1 1 51 51 VAL CA C 45 60.583 60.583 61.637 -1.054 18399 2387 1 7 . 1 1 51 51 VAL CB C 45 34.601 34.601 33.408 1.192 18399 2388 1 7 . 1 1 51 51 VAL H H 45 8.960 8.960 8.459 0.501 18399 2389 1 7 . 1 1 52 52 TYR N N 46 126.384 126.384 128.908 -2.524 18399 2390 1 7 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.865 0.224 18399 2391 1 7 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.880 -0.805 18399 2392 1 7 . 1 1 52 52 TYR CB C 46 41.669 41.669 40.105 1.564 18399 2393 1 7 . 1 1 52 52 TYR H H 46 8.879 8.879 8.898 -0.019 18399 2394 1 7 . 1 1 53 53 GLN N N 47 127.041 127.041 128.115 -1.074 18399 2395 1 7 . 1 1 53 53 GLN HA H 47 3.656 3.656 3.824 -0.168 18399 2396 1 7 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.408 -0.134 18399 2397 1 7 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.213 -1.772 18399 2398 1 7 . 1 1 53 53 GLN H H 47 9.323 9.323 9.116 0.207 18399 2399 1 7 . 1 1 54 54 GLY N N 48 102.991 102.991 101.451 1.540 18399 2400 1 7 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.147 0.226 18399 2401 1 7 . 1 1 54 54 GLY H H 48 8.358 8.358 8.527 -0.169 18399 2402 1 7 . 1 1 55 55 LYS N N 49 121.595 121.595 120.145 1.450 18399 2403 1 7 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.643 -0.026 18399 2404 1 7 . 1 1 55 55 LYS CA C 49 54.340 54.340 55.156 -0.816 18399 2405 1 7 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.878 -0.677 18399 2406 1 7 . 1 1 55 55 LYS H H 49 7.819 7.819 7.979 -0.160 18399 2407 1 7 . 1 1 56 56 GLN N N 50 122.484 122.484 118.815 3.669 18399 2408 1 7 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.727 -0.142 18399 2409 1 7 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.347 1.431 18399 2410 1 7 . 1 1 56 56 GLN CB C 50 28.701 28.701 31.081 -2.380 18399 2411 1 7 . 1 1 56 56 GLN H H 50 8.757 8.757 8.205 0.552 18399 2412 1 7 . 1 1 57 57 LEU N N 51 125.130 125.130 120.430 4.700 18399 2413 1 7 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.080 0.220 18399 2414 1 7 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.654 -1.514 18399 2415 1 7 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.336 0.889 18399 2416 1 7 . 1 1 57 57 LEU H H 51 8.442 8.442 8.776 -0.334 18399 2417 1 7 . 1 1 58 58 GLU N N 52 122.551 122.551 120.543 2.008 18399 2418 1 7 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.465 -0.006 18399 2419 1 7 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.208 -0.098 18399 2420 1 7 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.265 0.781 18399 2421 1 7 . 1 1 58 58 GLU H H 52 8.125 8.125 8.584 -0.459 18399 2422 1 7 . 1 1 59 59 ASP N N 53 122.235 122.235 122.133 0.102 18399 2423 1 7 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.298 -0.153 18399 2424 1 7 . 1 1 59 59 ASP CA C 53 57.699 57.699 57.802 -0.103 18399 2425 1 7 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.738 0.273 18399 2426 1 7 . 1 1 59 59 ASP H H 53 8.346 8.346 8.672 -0.326 18399 2427 1 7 . 1 1 60 60 GLU N N 54 113.128 113.128 117.219 -4.091 18399 2428 1 7 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.113 0.202 18399 2429 1 7 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.240 -0.904 18399 2430 1 7 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.486 -0.444 18399 2431 1 7 . 1 1 60 60 GLU H H 54 8.756 8.756 8.508 0.248 18399 2432 1 7 . 1 1 61 61 LYS N N 55 119.869 119.869 119.297 0.572 18399 2433 1 7 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.400 -0.149 18399 2434 1 7 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.610 1.347 18399 2435 1 7 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.488 1.456 18399 2436 1 7 . 1 1 61 61 LYS H H 55 7.677 7.677 7.703 -0.026 18399 2437 1 7 . 1 1 62 62 ARG N N 56 117.724 117.724 120.196 -2.472 18399 2438 1 7 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.127 0.597 18399 2439 1 7 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.712 2.408 18399 2440 1 7 . 1 1 62 62 ARG H H 56 8.797 8.797 7.648 1.149 18399 2441 1 7 . 1 1 63 63 LEU N N 57 123.223 123.223 121.724 1.499 18399 2442 1 7 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.214 -0.176 18399 2443 1 7 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.393 2.031 18399 2444 1 7 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.710 -1.312 18399 2445 1 7 . 1 1 63 63 LEU H H 57 8.728 8.728 8.409 0.319 18399 2446 1 7 . 1 1 64 64 LYS N N 58 114.073 114.073 118.531 -4.458 18399 2447 1 7 . 1 1 64 64 LYS HA H 58 4.409 4.409 4.018 0.391 18399 2448 1 7 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.168 -1.334 18399 2449 1 7 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.646 -0.522 18399 2450 1 7 . 1 1 64 64 LYS H H 58 8.681 8.681 8.265 0.416 18399 2451 1 7 . 1 1 65 65 ASP N N 59 120.640 120.640 118.731 1.909 18399 2452 1 7 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.650 -0.231 18399 2453 1 7 . 1 1 65 65 ASP CA C 59 56.506 56.506 56.090 0.416 18399 2454 1 7 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.878 -0.830 18399 2455 1 7 . 1 1 65 65 ASP H H 59 7.862 7.862 8.073 -0.211 18399 2456 1 7 . 1 1 66 66 TYR N N 60 117.775 117.775 121.034 -3.259 18399 2457 1 7 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.302 0.314 18399 2458 1 7 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.348 -2.198 18399 2459 1 7 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.966 0.363 18399 2460 1 7 . 1 1 66 66 TYR H H 60 7.545 7.545 8.077 -0.532 18399 2461 1 7 . 1 1 67 67 GLN N N 61 117.450 117.450 117.753 -0.303 18399 2462 1 7 . 1 1 67 67 GLN HA H 61 4.183 4.183 3.997 0.186 18399 2463 1 7 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.074 -0.457 18399 2464 1 7 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.422 -1.844 18399 2465 1 7 . 1 1 67 67 GLN H H 61 8.155 8.155 7.812 0.343 18399 2466 1 7 . 1 1 68 68 MET N N 62 120.193 120.193 118.238 1.955 18399 2467 1 7 . 1 1 68 68 MET HA H 62 4.470 4.470 4.428 0.042 18399 2468 1 7 . 1 1 68 68 MET CA C 62 55.767 55.767 55.885 -0.118 18399 2469 1 7 . 1 1 68 68 MET CB C 62 33.105 33.105 32.780 0.325 18399 2470 1 7 . 1 1 68 68 MET H H 62 7.997 7.997 7.475 0.522 18399 2471 1 7 . 1 1 69 69 SER N N 63 116.722 116.722 112.311 4.411 18399 2472 1 7 . 1 1 69 69 SER HA H 63 4.530 4.530 4.251 0.279 18399 2473 1 7 . 1 1 69 69 SER CA C 63 57.654 57.654 59.894 -2.240 18399 2474 1 7 . 1 1 69 69 SER CB C 63 64.803 64.803 62.140 2.663 18399 2475 1 7 . 1 1 69 69 SER H H 63 8.073 8.073 8.713 -0.640 18399 2476 1 7 . 1 1 70 70 ALA N N 64 123.286 123.286 120.095 3.191 18399 2477 1 7 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.439 -0.183 18399 2478 1 7 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.089 1.477 18399 2479 1 7 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.211 -0.969 18399 2480 1 7 . 1 1 70 70 ALA H H 64 8.492 8.492 8.090 0.402 18399 2481 1 7 . 1 1 71 71 GLY N N 65 110.294 110.294 108.128 2.166 18399 2482 1 7 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.558 0.569 18399 2483 1 7 . 1 1 71 71 GLY H H 65 8.907 8.907 7.984 0.923 18399 2484 1 7 . 1 1 72 72 ALA N N 66 123.229 123.229 128.934 -5.705 18399 2485 1 7 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.300 -0.012 18399 2486 1 7 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.255 0.621 18399 2487 1 7 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.422 0.404 18399 2488 1 7 . 1 1 72 72 ALA H H 66 7.572 7.572 8.512 -0.940 18399 2489 1 7 . 1 1 73 73 THR N N 67 116.161 116.161 115.552 0.609 18399 2490 1 7 . 1 1 73 73 THR HA H 67 5.060 5.060 5.009 0.051 18399 2491 1 7 . 1 1 73 73 THR CA C 67 61.493 61.493 60.187 1.306 18399 2492 1 7 . 1 1 73 73 THR CB C 67 71.022 71.022 71.315 -0.293 18399 2493 1 7 . 1 1 73 73 THR H H 67 8.253 8.253 8.865 -0.612 18399 2494 1 7 . 1 1 74 74 PHE N N 68 124.518 124.518 126.587 -2.069 18399 2495 1 7 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.266 0.103 18399 2496 1 7 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.186 -2.173 18399 2497 1 7 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.875 -0.982 18399 2498 1 7 . 1 1 74 74 PHE H H 68 8.989 8.989 8.516 0.473 18399 2499 1 7 . 1 1 75 75 HIS N N 69 120.835 120.835 127.128 -6.293 18399 2500 1 7 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.838 0.308 18399 2501 1 7 . 1 1 75 75 HIS CA C 69 56.131 56.131 55.058 1.073 18399 2502 1 7 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.290 0.294 18399 2503 1 7 . 1 1 75 75 HIS H H 69 9.300 9.300 8.763 0.537 18399 2504 1 7 . 1 1 76 76 MET N N 70 122.731 122.731 122.767 -0.036 18399 2505 1 7 . 1 1 76 76 MET HA H 70 5.199 5.199 4.544 0.655 18399 2506 1 7 . 1 1 76 76 MET CA C 70 54.683 54.683 54.570 0.113 18399 2507 1 7 . 1 1 76 76 MET CB C 70 35.426 35.426 36.067 -0.641 18399 2508 1 7 . 1 1 76 76 MET H H 70 8.563 8.563 8.291 0.272 18399 2509 1 7 . 1 1 77 77 VAL N N 71 128.801 128.801 126.627 2.174 18399 2510 1 7 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.433 -0.156 18399 2511 1 7 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.006 1.337 18399 2512 1 7 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.832 0.824 18399 2513 1 7 . 1 1 77 77 VAL H H 71 9.118 9.118 8.568 0.550 18399 2514 1 7 . 1 1 78 78 VAL N N 72 125.528 125.528 129.691 -4.163 18399 2515 1 7 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.189 0.429 18399 2516 1 7 . 1 1 78 78 VAL CA C 72 61.485 61.485 62.233 -0.748 18399 2517 1 7 . 1 1 78 78 VAL CB C 72 32.311 32.311 31.390 0.921 18399 2518 1 7 . 1 1 78 78 VAL H H 72 8.544 8.544 8.435 0.109 18399 2519 1 7 . 1 1 79 79 ALA N N 73 131.664 131.664 130.595 1.069 18399 2520 1 7 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.526 -0.203 18399 2521 1 7 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.374 0.372 18399 2522 1 7 . 1 1 79 79 ALA CB C 73 19.445 19.445 19.631 -0.187 18399 2523 1 7 . 1 1 79 79 ALA H H 73 8.957 8.957 8.767 0.190 18399 2524 1 7 . 1 1 80 80 LEU N N 74 120.722 120.722 118.008 2.714 18399 2525 1 7 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.060 0.219 18399 2526 1 7 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.768 -0.577 18399 2527 1 7 . 1 1 80 80 LEU CB C 74 42.356 42.356 40.336 2.020 18399 2528 1 7 . 1 1 80 80 LEU H H 74 8.193 8.193 8.095 0.098 18399 2529 1 7 . 1 1 81 81 ARG N N 75 121.022 121.022 120.508 0.514 18399 2530 1 7 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.252 0.042 18399 2531 1 7 . 1 1 81 81 ARG CA C 75 55.604 55.604 56.411 -0.807 18399 2532 1 7 . 1 1 81 81 ARG CB C 75 30.856 30.856 30.733 0.123 18399 2533 1 7 . 1 1 81 81 ARG H H 75 8.207 8.207 7.992 0.215 18399 2534 1 7 . 1 1 82 82 ALA N N 76 125.815 125.815 120.150 5.665 18399 2535 1 7 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.437 -0.159 18399 2536 1 7 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.995 0.483 18399 2537 1 7 . 1 1 82 82 ALA CB C 76 18.813 18.813 19.821 -1.008 18399 2538 1 7 . 1 1 82 82 ALA H H 76 8.471 8.471 7.998 0.473 18399 2539 1 7 . 1 1 83 83 GLY N N 77 109.110 109.110 107.186 1.924 18399 2540 1 7 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.635 -0.298 18399 2541 1 7 . 1 1 83 83 GLY H H 77 8.506 8.506 9.469 -0.963 18399 2542 1 8 . 1 1 8 8 LEU N N 2 125.142 125.142 122.780 2.362 18399 2543 1 8 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.021 -0.547 18399 2544 1 8 . 1 1 8 8 LEU CA C 2 55.275 55.275 54.045 1.230 18399 2545 1 8 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.429 -1.527 18399 2546 1 8 . 1 1 8 8 LEU H H 2 8.251 8.251 7.801 0.450 18399 2547 1 8 . 1 1 9 9 LEU N N 3 126.326 126.326 121.426 4.900 18399 2548 1 8 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.945 -0.149 18399 2549 1 8 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.444 -0.401 18399 2550 1 8 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.026 -1.518 18399 2551 1 8 . 1 1 9 9 LEU H H 3 8.307 8.307 8.117 0.190 18399 2552 1 8 . 1 1 10 10 LYS N N 4 121.349 121.349 123.188 -1.839 18399 2553 1 8 . 1 1 10 10 LYS HA H 4 5.080 5.080 5.183 -0.103 18399 2554 1 8 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.800 -0.168 18399 2555 1 8 . 1 1 10 10 LYS CB C 4 34.425 34.425 34.092 0.333 18399 2556 1 8 . 1 1 10 10 LYS H H 4 8.428 8.428 8.485 -0.057 18399 2557 1 8 . 1 1 11 11 VAL N N 5 122.408 122.408 122.229 0.179 18399 2558 1 8 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.904 -0.216 18399 2559 1 8 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.806 0.520 18399 2560 1 8 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.906 0.924 18399 2561 1 8 . 1 1 11 11 VAL H H 5 9.088 9.088 8.634 0.454 18399 2562 1 8 . 1 1 12 12 LYS N N 6 127.778 127.778 125.351 2.427 18399 2563 1 8 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.299 0.053 18399 2564 1 8 . 1 1 12 12 LYS CA C 6 54.675 54.675 53.756 0.919 18399 2565 1 8 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.584 -1.400 18399 2566 1 8 . 1 1 12 12 LYS H H 6 9.029 9.029 8.664 0.365 18399 2567 1 8 . 1 1 13 13 THR N N 7 116.723 116.723 118.230 -1.507 18399 2568 1 8 . 1 1 13 13 THR HA H 7 4.860 4.860 4.752 0.108 18399 2569 1 8 . 1 1 13 13 THR CA C 7 60.392 60.392 60.637 -0.245 18399 2570 1 8 . 1 1 13 13 THR CB C 7 71.189 71.189 70.243 0.946 18399 2571 1 8 . 1 1 13 13 THR H H 7 8.790 8.790 8.367 0.423 18399 2572 1 8 . 1 1 14 14 VAL N N 8 119.340 119.340 121.988 -2.648 18399 2573 1 8 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.097 0.006 18399 2574 1 8 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.418 0.294 18399 2575 1 8 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.656 -0.496 18399 2576 1 8 . 1 1 14 14 VAL H H 8 8.872 8.872 8.784 0.088 18399 2577 1 8 . 1 1 15 15 SER N N 9 114.630 114.630 115.041 -0.411 18399 2578 1 8 . 1 1 15 15 SER HA H 9 4.513 4.513 4.450 0.063 18399 2579 1 8 . 1 1 15 15 SER CA C 9 57.913 57.913 58.349 -0.436 18399 2580 1 8 . 1 1 15 15 SER CB C 9 63.243 63.243 62.872 0.371 18399 2581 1 8 . 1 1 15 15 SER H H 9 7.859 7.859 7.920 -0.061 18399 2582 1 8 . 1 1 16 16 ASN N N 10 115.509 115.509 117.486 -1.977 18399 2583 1 8 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.389 -0.197 18399 2584 1 8 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.581 0.380 18399 2585 1 8 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.595 -1.300 18399 2586 1 8 . 1 1 16 16 ASN H H 10 8.229 8.229 8.027 0.202 18399 2587 1 8 . 1 1 17 17 LYS N N 11 120.345 120.345 120.278 0.067 18399 2588 1 8 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.464 -0.209 18399 2589 1 8 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.097 1.250 18399 2590 1 8 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.994 -0.058 18399 2591 1 8 . 1 1 17 17 LYS H H 11 7.315 7.315 7.567 -0.252 18399 2592 1 8 . 1 1 18 18 VAL N N 12 125.270 125.270 124.898 0.372 18399 2593 1 8 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.665 -0.028 18399 2594 1 8 . 1 1 18 18 VAL CA C 12 61.749 61.749 60.722 1.027 18399 2595 1 8 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.554 -0.362 18399 2596 1 8 . 1 1 18 18 VAL H H 12 8.576 8.576 8.231 0.345 18399 2597 1 8 . 1 1 19 19 ILE N N 13 130.928 130.928 127.786 3.142 18399 2598 1 8 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.441 -0.288 18399 2599 1 8 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.402 1.043 18399 2600 1 8 . 1 1 19 19 ILE CB C 13 40.195 40.195 40.839 -0.644 18399 2601 1 8 . 1 1 19 19 ILE H H 13 9.486 9.486 8.970 0.516 18399 2602 1 8 . 1 1 20 20 GLN N N 14 124.762 124.762 125.657 -0.895 18399 2603 1 8 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.638 0.424 18399 2604 1 8 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.893 -0.098 18399 2605 1 8 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.302 0.299 18399 2606 1 8 . 1 1 20 20 GLN H H 14 8.803 8.803 8.409 0.394 18399 2607 1 8 . 1 1 21 21 ILE N N 15 126.010 126.010 120.292 5.718 18399 2608 1 8 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.686 -0.173 18399 2609 1 8 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.666 -0.027 18399 2610 1 8 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.562 -1.391 18399 2611 1 8 . 1 1 21 21 ILE H H 15 9.076 9.076 8.344 0.732 18399 2612 1 8 . 1 1 22 22 THR N N 16 118.074 118.074 118.010 0.064 18399 2613 1 8 . 1 1 22 22 THR HA H 16 4.904 4.904 4.508 0.396 18399 2614 1 8 . 1 1 22 22 THR CA C 16 61.462 61.462 61.747 -0.285 18399 2615 1 8 . 1 1 22 22 THR CB C 16 69.657 69.657 68.880 0.777 18399 2616 1 8 . 1 1 22 22 THR H H 16 9.047 9.047 8.528 0.519 18399 2617 1 8 . 1 1 23 23 SER N N 17 113.130 113.130 118.736 -5.606 18399 2618 1 8 . 1 1 23 23 SER HA H 17 4.440 4.440 4.654 -0.214 18399 2619 1 8 . 1 1 23 23 SER CA C 17 58.002 58.002 58.558 -0.556 18399 2620 1 8 . 1 1 23 23 SER CB C 17 64.268 64.268 63.351 0.917 18399 2621 1 8 . 1 1 23 23 SER H H 17 7.330 7.330 8.294 -0.964 18399 2622 1 8 . 1 1 24 24 LEU N N 18 123.241 123.241 123.905 -0.664 18399 2623 1 8 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.766 -0.027 18399 2624 1 8 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.567 0.291 18399 2625 1 8 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.373 -1.883 18399 2626 1 8 . 1 1 24 24 LEU H H 18 8.728 8.728 7.815 0.913 18399 2627 1 8 . 1 1 25 25 THR N N 19 111.915 111.915 115.378 -3.463 18399 2628 1 8 . 1 1 25 25 THR HA H 19 4.816 4.816 4.362 0.454 18399 2629 1 8 . 1 1 25 25 THR CA C 19 59.575 59.575 61.304 -1.729 18399 2630 1 8 . 1 1 25 25 THR CB C 19 72.043 72.043 69.689 2.354 18399 2631 1 8 . 1 1 25 25 THR H H 19 9.363 9.363 8.228 1.135 18399 2632 1 8 . 1 1 26 26 ASP N N 20 117.183 117.183 117.434 -0.251 18399 2633 1 8 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.515 -0.182 18399 2634 1 8 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.905 1.824 18399 2635 1 8 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.161 -1.779 18399 2636 1 8 . 1 1 26 26 ASP H H 20 8.785 8.785 8.258 0.527 18399 2637 1 8 . 1 1 27 27 ASP N N 21 116.327 116.327 119.888 -3.561 18399 2638 1 8 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.639 0.035 18399 2639 1 8 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.749 -1.979 18399 2640 1 8 . 1 1 27 27 ASP CB C 21 42.294 42.294 42.386 -0.092 18399 2641 1 8 . 1 1 27 27 ASP H H 21 7.775 7.775 8.293 -0.518 18399 2642 1 8 . 1 1 28 28 ASN N N 22 117.269 117.269 113.673 3.596 18399 2643 1 8 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.824 0.068 18399 2644 1 8 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.210 1.600 18399 2645 1 8 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.757 0.344 18399 2646 1 8 . 1 1 28 28 ASN H H 22 7.829 7.829 8.461 -0.632 18399 2647 1 8 . 1 1 29 29 THR N N 23 108.639 108.639 114.209 -5.570 18399 2648 1 8 . 1 1 29 29 THR HA H 23 5.206 5.206 3.826 1.380 18399 2649 1 8 . 1 1 29 29 THR CA C 23 59.830 59.830 66.124 -6.294 18399 2650 1 8 . 1 1 29 29 THR CB C 23 72.396 72.396 67.561 4.835 18399 2651 1 8 . 1 1 29 29 THR H H 23 9.145 9.145 8.151 0.994 18399 2652 1 8 . 1 1 30 30 ILE N N 24 120.336 120.336 122.520 -2.184 18399 2653 1 8 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.825 -0.139 18399 2654 1 8 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.269 -3.689 18399 2655 1 8 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.781 -4.437 18399 2656 1 8 . 1 1 30 30 ILE H H 24 8.477 8.477 8.102 0.375 18399 2657 1 8 . 1 1 31 31 ALA N N 25 123.489 123.489 122.488 1.001 18399 2658 1 8 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.065 -0.194 18399 2659 1 8 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.328 0.628 18399 2660 1 8 . 1 1 31 31 ALA CB C 25 18.160 18.160 17.926 0.234 18399 2661 1 8 . 1 1 31 31 ALA H H 25 8.951 8.951 7.716 1.235 18399 2662 1 8 . 1 1 32 32 GLU N N 26 120.101 120.101 118.909 1.192 18399 2663 1 8 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.101 -0.086 18399 2664 1 8 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.127 0.224 18399 2665 1 8 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.257 -0.535 18399 2666 1 8 . 1 1 32 32 GLU H H 26 7.988 7.988 8.556 -0.568 18399 2667 1 8 . 1 1 33 33 LEU N N 27 124.025 124.025 120.282 3.743 18399 2668 1 8 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.016 0.017 18399 2669 1 8 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.773 0.889 18399 2670 1 8 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.172 -2.015 18399 2671 1 8 . 1 1 33 33 LEU H H 27 8.083 8.083 7.789 0.294 18399 2672 1 8 . 1 1 34 34 LYS N N 28 119.471 119.471 118.488 0.983 18399 2673 1 8 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.112 -0.313 18399 2674 1 8 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.678 1.832 18399 2675 1 8 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.788 0.060 18399 2676 1 8 . 1 1 34 34 LYS H H 28 8.746 8.746 8.707 0.038 18399 2677 1 8 . 1 1 35 35 GLY N N 29 106.034 106.034 107.845 -1.811 18399 2678 1 8 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.861 0.181 18399 2679 1 8 . 1 1 35 35 GLY H H 29 8.096 8.096 8.408 -0.312 18399 2680 1 8 . 1 1 36 36 LYS N N 30 121.196 121.196 122.175 -0.979 18399 2681 1 8 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.154 0.083 18399 2682 1 8 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.681 -1.339 18399 2683 1 8 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.413 -1.880 18399 2684 1 8 . 1 1 36 36 LYS H H 30 7.704 7.704 7.806 -0.102 18399 2685 1 8 . 1 1 37 37 LEU N N 31 121.657 121.657 121.077 0.580 18399 2686 1 8 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.068 0.227 18399 2687 1 8 . 1 1 37 37 LEU CA C 31 57.282 57.282 58.194 -0.911 18399 2688 1 8 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.267 -0.075 18399 2689 1 8 . 1 1 37 37 LEU H H 31 7.948 7.948 8.176 -0.228 18399 2690 1 8 . 1 1 38 38 GLU N N 32 123.295 123.295 118.747 4.548 18399 2691 1 8 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.999 0.354 18399 2692 1 8 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.828 0.476 18399 2693 1 8 . 1 1 38 38 GLU CB C 32 29.339 29.339 28.711 0.628 18399 2694 1 8 . 1 1 38 38 GLU H H 32 8.714 8.714 8.236 0.478 18399 2695 1 8 . 1 1 39 39 GLU N N 33 118.296 118.296 119.911 -1.615 18399 2696 1 8 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.072 -0.086 18399 2697 1 8 . 1 1 39 39 GLU CA C 33 59.142 59.142 59.006 0.136 18399 2698 1 8 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.658 -0.056 18399 2699 1 8 . 1 1 39 39 GLU H H 33 7.470 7.470 7.868 -0.398 18399 2700 1 8 . 1 1 40 40 SER N N 34 112.266 112.266 114.574 -2.308 18399 2701 1 8 . 1 1 40 40 SER CA C 34 61.150 61.150 61.006 0.144 18399 2702 1 8 . 1 1 40 40 SER CB C 34 63.578 63.578 63.223 0.355 18399 2703 1 8 . 1 1 40 40 SER H H 34 8.054 8.054 7.935 0.119 18399 2704 1 8 . 1 1 41 41 GLU N N 35 116.449 116.449 119.951 -3.502 18399 2705 1 8 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.371 -0.004 18399 2706 1 8 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.468 -1.412 18399 2707 1 8 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.161 0.383 18399 2708 1 8 . 1 1 41 41 GLU H H 35 8.908 8.908 7.787 1.121 18399 2709 1 8 . 1 1 42 42 GLY N N 36 108.168 108.168 108.702 -0.534 18399 2710 1 8 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.111 0.313 18399 2711 1 8 . 1 1 42 42 GLY H H 36 7.930 7.930 7.998 -0.068 18399 2712 1 8 . 1 1 43 43 ILE N N 37 120.326 120.326 116.501 3.825 18399 2713 1 8 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.592 -0.862 18399 2714 1 8 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.479 1.740 18399 2715 1 8 . 1 1 43 43 ILE H H 37 6.446 6.446 7.365 -0.919 18399 2716 1 8 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.614 -0.438 18399 2717 1 8 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.559 0.459 18399 2718 1 8 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.744 -0.585 18399 2719 1 8 . 1 1 45 45 GLY N N 39 111.710 111.710 110.152 1.558 18399 2720 1 8 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.922 0.684 18399 2721 1 8 . 1 1 45 45 GLY H H 39 9.228 9.228 8.688 0.540 18399 2722 1 8 . 1 1 46 46 ASN N N 40 114.967 114.967 114.030 0.937 18399 2723 1 8 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.640 -0.128 18399 2724 1 8 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.325 1.148 18399 2725 1 8 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.193 -1.683 18399 2726 1 8 . 1 1 46 46 ASN H H 40 8.325 8.325 7.901 0.424 18399 2727 1 8 . 1 1 47 47 MET N N 41 118.446 118.446 119.419 -0.973 18399 2728 1 8 . 1 1 47 47 MET HA H 41 4.557 4.557 4.558 -0.001 18399 2729 1 8 . 1 1 47 47 MET CA C 41 54.886 54.886 56.836 -1.950 18399 2730 1 8 . 1 1 47 47 MET CB C 41 32.632 32.632 33.899 -1.267 18399 2731 1 8 . 1 1 47 47 MET H H 41 8.247 8.247 7.896 0.351 18399 2732 1 8 . 1 1 48 48 ILE N N 42 119.569 119.569 116.042 3.527 18399 2733 1 8 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.787 0.309 18399 2734 1 8 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.701 1.048 18399 2735 1 8 . 1 1 48 48 ILE CB C 42 39.436 39.436 34.686 4.750 18399 2736 1 8 . 1 1 48 48 ILE H H 42 7.422 7.422 7.949 -0.527 18399 2737 1 8 . 1 1 49 49 ARG N N 43 127.179 127.179 122.125 5.054 18399 2738 1 8 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.562 0.018 18399 2739 1 8 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.867 -0.905 18399 2740 1 8 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.003 -0.974 18399 2741 1 8 . 1 1 49 49 ARG H H 43 8.967 8.967 7.800 1.167 18399 2742 1 8 . 1 1 50 50 LEU N N 44 122.639 122.639 122.310 0.329 18399 2743 1 8 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.148 0.259 18399 2744 1 8 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.090 -0.395 18399 2745 1 8 . 1 1 50 50 LEU CB C 44 46.655 46.655 44.128 2.527 18399 2746 1 8 . 1 1 50 50 LEU H H 44 8.603 8.603 8.422 0.181 18399 2747 1 8 . 1 1 51 51 VAL N N 45 121.931 121.931 118.664 3.267 18399 2748 1 8 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.798 -0.090 18399 2749 1 8 . 1 1 51 51 VAL CA C 45 60.583 60.583 61.099 -0.516 18399 2750 1 8 . 1 1 51 51 VAL CB C 45 34.601 34.601 33.580 1.022 18399 2751 1 8 . 1 1 51 51 VAL H H 45 8.960 8.960 8.169 0.791 18399 2752 1 8 . 1 1 52 52 TYR N N 46 126.384 126.384 128.454 -2.070 18399 2753 1 8 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.786 0.303 18399 2754 1 8 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.165 -0.090 18399 2755 1 8 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.785 1.884 18399 2756 1 8 . 1 1 52 52 TYR H H 46 8.879 8.879 8.823 0.056 18399 2757 1 8 . 1 1 53 53 GLN N N 47 127.041 127.041 128.224 -1.183 18399 2758 1 8 . 1 1 53 53 GLN HA H 47 3.656 3.656 4.028 -0.372 18399 2759 1 8 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.622 -0.348 18399 2760 1 8 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.462 -2.021 18399 2761 1 8 . 1 1 53 53 GLN H H 47 9.323 9.323 9.608 -0.285 18399 2762 1 8 . 1 1 54 54 GLY N N 48 102.991 102.991 103.220 -0.229 18399 2763 1 8 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.088 0.285 18399 2764 1 8 . 1 1 54 54 GLY H H 48 8.358 8.358 8.704 -0.346 18399 2765 1 8 . 1 1 55 55 LYS N N 49 121.595 121.595 120.748 0.847 18399 2766 1 8 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.657 -0.040 18399 2767 1 8 . 1 1 55 55 LYS CA C 49 54.340 54.340 55.031 -0.691 18399 2768 1 8 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.707 -0.506 18399 2769 1 8 . 1 1 55 55 LYS H H 49 7.819 7.819 8.012 -0.193 18399 2770 1 8 . 1 1 56 56 GLN N N 50 122.484 122.484 118.946 3.538 18399 2771 1 8 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.659 -0.074 18399 2772 1 8 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.656 1.122 18399 2773 1 8 . 1 1 56 56 GLN CB C 50 28.701 28.701 31.012 -2.311 18399 2774 1 8 . 1 1 56 56 GLN H H 50 8.757 8.757 8.382 0.375 18399 2775 1 8 . 1 1 57 57 LEU N N 51 125.130 125.130 121.094 4.036 18399 2776 1 8 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.095 0.205 18399 2777 1 8 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.840 -1.701 18399 2778 1 8 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.437 0.788 18399 2779 1 8 . 1 1 57 57 LEU H H 51 8.442 8.442 8.744 -0.302 18399 2780 1 8 . 1 1 58 58 GLU N N 52 122.551 122.551 120.595 1.956 18399 2781 1 8 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.441 0.018 18399 2782 1 8 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.243 -0.133 18399 2783 1 8 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.264 0.782 18399 2784 1 8 . 1 1 58 58 GLU H H 52 8.125 8.125 8.537 -0.412 18399 2785 1 8 . 1 1 59 59 ASP N N 53 122.235 122.235 121.771 0.464 18399 2786 1 8 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.343 -0.198 18399 2787 1 8 . 1 1 59 59 ASP CA C 53 57.699 57.699 58.349 -0.650 18399 2788 1 8 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.790 0.221 18399 2789 1 8 . 1 1 59 59 ASP H H 53 8.346 8.346 8.783 -0.437 18399 2790 1 8 . 1 1 60 60 GLU N N 54 113.128 113.128 117.088 -3.960 18399 2791 1 8 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.140 0.175 18399 2792 1 8 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.101 -0.765 18399 2793 1 8 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.657 -0.615 18399 2794 1 8 . 1 1 60 60 GLU H H 54 8.756 8.756 8.465 0.291 18399 2795 1 8 . 1 1 61 61 LYS N N 55 119.869 119.869 118.984 0.885 18399 2796 1 8 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.447 -0.196 18399 2797 1 8 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.789 1.168 18399 2798 1 8 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.511 1.433 18399 2799 1 8 . 1 1 61 61 LYS H H 55 7.677 7.677 7.658 0.019 18399 2800 1 8 . 1 1 62 62 ARG N N 56 117.724 117.724 120.112 -2.388 18399 2801 1 8 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.144 0.580 18399 2802 1 8 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.802 2.318 18399 2803 1 8 . 1 1 62 62 ARG H H 56 8.797 8.797 7.660 1.137 18399 2804 1 8 . 1 1 63 63 LEU N N 57 123.223 123.223 121.323 1.900 18399 2805 1 8 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.202 -0.164 18399 2806 1 8 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.453 1.972 18399 2807 1 8 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.635 -1.237 18399 2808 1 8 . 1 1 63 63 LEU H H 57 8.728 8.728 8.364 0.364 18399 2809 1 8 . 1 1 64 64 LYS N N 58 114.073 114.073 118.522 -4.449 18399 2810 1 8 . 1 1 64 64 LYS HA H 58 4.409 4.409 3.993 0.416 18399 2811 1 8 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.144 -1.310 18399 2812 1 8 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.619 -0.494 18399 2813 1 8 . 1 1 64 64 LYS H H 58 8.681 8.681 8.269 0.412 18399 2814 1 8 . 1 1 65 65 ASP N N 59 120.640 120.640 119.078 1.562 18399 2815 1 8 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.564 -0.145 18399 2816 1 8 . 1 1 65 65 ASP CA C 59 56.506 56.506 56.003 0.503 18399 2817 1 8 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.890 -0.842 18399 2818 1 8 . 1 1 65 65 ASP H H 59 7.862 7.862 8.059 -0.197 18399 2819 1 8 . 1 1 66 66 TYR N N 60 117.775 117.775 119.863 -2.088 18399 2820 1 8 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.270 0.346 18399 2821 1 8 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.395 -2.245 18399 2822 1 8 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.883 0.446 18399 2823 1 8 . 1 1 66 66 TYR H H 60 7.545 7.545 8.009 -0.464 18399 2824 1 8 . 1 1 67 67 GLN N N 61 117.450 117.450 117.770 -0.320 18399 2825 1 8 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.021 0.162 18399 2826 1 8 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.353 -0.737 18399 2827 1 8 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.591 -2.013 18399 2828 1 8 . 1 1 67 67 GLN H H 61 8.155 8.155 7.833 0.322 18399 2829 1 8 . 1 1 68 68 MET N N 62 120.193 120.193 118.188 2.005 18399 2830 1 8 . 1 1 68 68 MET HA H 62 4.470 4.470 4.374 0.096 18399 2831 1 8 . 1 1 68 68 MET CA C 62 55.767 55.767 55.452 0.315 18399 2832 1 8 . 1 1 68 68 MET CB C 62 33.105 33.105 32.815 0.290 18399 2833 1 8 . 1 1 68 68 MET H H 62 7.997 7.997 7.388 0.609 18399 2834 1 8 . 1 1 69 69 SER N N 63 116.722 116.722 112.901 3.821 18399 2835 1 8 . 1 1 69 69 SER HA H 63 4.530 4.530 4.222 0.308 18399 2836 1 8 . 1 1 69 69 SER CA C 63 57.654 57.654 59.155 -1.501 18399 2837 1 8 . 1 1 69 69 SER CB C 63 64.803 64.803 62.167 2.636 18399 2838 1 8 . 1 1 69 69 SER H H 63 8.073 8.073 8.559 -0.486 18399 2839 1 8 . 1 1 70 70 ALA N N 64 123.286 123.286 120.805 2.481 18399 2840 1 8 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.493 -0.237 18399 2841 1 8 . 1 1 70 70 ALA CA C 64 53.566 53.566 51.991 1.575 18399 2842 1 8 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.660 -1.418 18399 2843 1 8 . 1 1 70 70 ALA H H 64 8.492 8.492 8.011 0.481 18399 2844 1 8 . 1 1 71 71 GLY N N 65 110.294 110.294 107.766 2.528 18399 2845 1 8 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.731 0.396 18399 2846 1 8 . 1 1 71 71 GLY H H 65 8.907 8.907 8.052 0.855 18399 2847 1 8 . 1 1 72 72 ALA N N 66 123.229 123.229 127.977 -4.748 18399 2848 1 8 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.253 0.035 18399 2849 1 8 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.284 0.592 18399 2850 1 8 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.449 0.377 18399 2851 1 8 . 1 1 72 72 ALA H H 66 7.572 7.572 8.649 -1.077 18399 2852 1 8 . 1 1 73 73 THR N N 67 116.161 116.161 115.154 1.007 18399 2853 1 8 . 1 1 73 73 THR HA H 67 5.060 5.060 4.371 0.689 18399 2854 1 8 . 1 1 73 73 THR CA C 67 61.493 61.493 60.736 0.757 18399 2855 1 8 . 1 1 73 73 THR CB C 67 71.022 71.022 71.241 -0.219 18399 2856 1 8 . 1 1 73 73 THR H H 67 8.253 8.253 8.714 -0.461 18399 2857 1 8 . 1 1 74 74 PHE N N 68 124.518 124.518 125.759 -1.241 18399 2858 1 8 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.251 0.118 18399 2859 1 8 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.111 -2.098 18399 2860 1 8 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.618 -0.725 18399 2861 1 8 . 1 1 74 74 PHE H H 68 8.989 8.989 8.447 0.542 18399 2862 1 8 . 1 1 75 75 HIS N N 69 120.835 120.835 126.549 -5.714 18399 2863 1 8 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.730 0.416 18399 2864 1 8 . 1 1 75 75 HIS CA C 69 56.131 56.131 54.595 1.536 18399 2865 1 8 . 1 1 75 75 HIS CB C 69 31.584 31.584 32.141 -0.557 18399 2866 1 8 . 1 1 75 75 HIS H H 69 9.300 9.300 8.660 0.640 18399 2867 1 8 . 1 1 76 76 MET N N 70 122.731 122.731 122.162 0.569 18399 2868 1 8 . 1 1 76 76 MET HA H 70 5.199 5.199 4.593 0.606 18399 2869 1 8 . 1 1 76 76 MET CA C 70 54.683 54.683 54.596 0.087 18399 2870 1 8 . 1 1 76 76 MET CB C 70 35.426 35.426 35.631 -0.205 18399 2871 1 8 . 1 1 76 76 MET H H 70 8.563 8.563 7.985 0.578 18399 2872 1 8 . 1 1 77 77 VAL N N 71 128.801 128.801 127.144 1.657 18399 2873 1 8 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.325 -0.048 18399 2874 1 8 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.991 0.352 18399 2875 1 8 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.286 1.370 18399 2876 1 8 . 1 1 77 77 VAL H H 71 9.118 9.118 8.497 0.621 18399 2877 1 8 . 1 1 78 78 VAL N N 72 125.528 125.528 127.748 -2.220 18399 2878 1 8 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.164 0.454 18399 2879 1 8 . 1 1 78 78 VAL CA C 72 61.485 61.485 60.819 0.666 18399 2880 1 8 . 1 1 78 78 VAL CB C 72 32.311 32.311 30.732 1.579 18399 2881 1 8 . 1 1 78 78 VAL H H 72 8.544 8.544 8.524 0.020 18399 2882 1 8 . 1 1 79 79 ALA N N 73 131.664 131.664 130.645 1.019 18399 2883 1 8 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.694 -0.371 18399 2884 1 8 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.601 0.145 18399 2885 1 8 . 1 1 79 79 ALA CB C 73 19.445 19.445 18.959 0.486 18399 2886 1 8 . 1 1 79 79 ALA H H 73 8.957 8.957 8.521 0.436 18399 2887 1 8 . 1 1 80 80 LEU N N 74 120.722 120.722 122.603 -1.881 18399 2888 1 8 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.407 -0.128 18399 2889 1 8 . 1 1 80 80 LEU CA C 74 55.191 55.191 54.841 0.350 18399 2890 1 8 . 1 1 80 80 LEU CB C 74 42.356 42.356 42.252 0.104 18399 2891 1 8 . 1 1 80 80 LEU H H 74 8.193 8.193 8.607 -0.414 18399 2892 1 8 . 1 1 81 81 ARG N N 75 121.022 121.022 116.933 4.089 18399 2893 1 8 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.067 0.227 18399 2894 1 8 . 1 1 81 81 ARG CA C 75 55.604 55.604 56.782 -1.179 18399 2895 1 8 . 1 1 81 81 ARG CB C 75 30.856 30.856 30.210 0.646 18399 2896 1 8 . 1 1 81 81 ARG H H 75 8.207 8.207 8.135 0.072 18399 2897 1 8 . 1 1 82 82 ALA N N 76 125.815 125.815 121.984 3.831 18399 2898 1 8 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.449 -0.171 18399 2899 1 8 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.998 0.480 18399 2900 1 8 . 1 1 82 82 ALA CB C 76 18.813 18.813 20.805 -1.992 18399 2901 1 8 . 1 1 82 82 ALA H H 76 8.471 8.471 8.236 0.235 18399 2902 1 8 . 1 1 83 83 GLY N N 77 109.110 109.110 110.079 -0.969 18399 2903 1 8 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.224 0.112 18399 2904 1 8 . 1 1 83 83 GLY H H 77 8.506 8.506 9.150 -0.644 18399 2905 1 9 . 1 1 8 8 LEU N N 2 125.142 125.142 121.944 3.198 18399 2906 1 9 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.149 -0.675 18399 2907 1 9 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.937 1.338 18399 2908 1 9 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.656 -1.754 18399 2909 1 9 . 1 1 8 8 LEU H H 2 8.251 8.251 7.768 0.483 18399 2910 1 9 . 1 1 9 9 LEU N N 3 126.326 126.326 121.453 4.873 18399 2911 1 9 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.953 -0.157 18399 2912 1 9 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.288 -0.245 18399 2913 1 9 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.047 -1.539 18399 2914 1 9 . 1 1 9 9 LEU H H 3 8.307 8.307 8.191 0.116 18399 2915 1 9 . 1 1 10 10 LYS N N 4 121.349 121.349 123.435 -2.086 18399 2916 1 9 . 1 1 10 10 LYS HA H 4 5.080 5.080 5.019 0.061 18399 2917 1 9 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.777 -0.145 18399 2918 1 9 . 1 1 10 10 LYS CB C 4 34.425 34.425 34.113 0.312 18399 2919 1 9 . 1 1 10 10 LYS H H 4 8.428 8.428 8.467 -0.039 18399 2920 1 9 . 1 1 11 11 VAL N N 5 122.408 122.408 122.889 -0.481 18399 2921 1 9 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.828 -0.140 18399 2922 1 9 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.587 0.738 18399 2923 1 9 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.821 1.009 18399 2924 1 9 . 1 1 11 11 VAL H H 5 9.088 9.088 8.516 0.572 18399 2925 1 9 . 1 1 12 12 LYS N N 6 127.778 127.778 125.176 2.602 18399 2926 1 9 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.233 0.119 18399 2927 1 9 . 1 1 12 12 LYS CA C 6 54.675 54.675 54.199 0.476 18399 2928 1 9 . 1 1 12 12 LYS CB C 6 34.184 34.184 34.716 -0.532 18399 2929 1 9 . 1 1 12 12 LYS H H 6 9.029 9.029 8.619 0.410 18399 2930 1 9 . 1 1 13 13 THR N N 7 116.723 116.723 118.196 -1.473 18399 2931 1 9 . 1 1 13 13 THR HA H 7 4.860 4.860 4.783 0.077 18399 2932 1 9 . 1 1 13 13 THR CA C 7 60.392 60.392 60.995 -0.603 18399 2933 1 9 . 1 1 13 13 THR CB C 7 71.189 71.189 70.289 0.900 18399 2934 1 9 . 1 1 13 13 THR H H 7 8.790 8.790 8.260 0.530 18399 2935 1 9 . 1 1 14 14 VAL N N 8 119.340 119.340 121.943 -2.603 18399 2936 1 9 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.118 -0.015 18399 2937 1 9 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.616 0.096 18399 2938 1 9 . 1 1 14 14 VAL CB C 8 31.160 31.160 32.145 -0.985 18399 2939 1 9 . 1 1 14 14 VAL H H 8 8.872 8.872 8.691 0.181 18399 2940 1 9 . 1 1 15 15 SER N N 9 114.630 114.630 115.447 -0.817 18399 2941 1 9 . 1 1 15 15 SER HA H 9 4.513 4.513 4.475 0.038 18399 2942 1 9 . 1 1 15 15 SER CA C 9 57.913 57.913 58.742 -0.830 18399 2943 1 9 . 1 1 15 15 SER CB C 9 63.243 63.243 62.810 0.433 18399 2944 1 9 . 1 1 15 15 SER H H 9 7.859 7.859 7.912 -0.053 18399 2945 1 9 . 1 1 16 16 ASN N N 10 115.509 115.509 117.274 -1.765 18399 2946 1 9 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.334 -0.142 18399 2947 1 9 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.528 0.433 18399 2948 1 9 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.770 -1.475 18399 2949 1 9 . 1 1 16 16 ASN H H 10 8.229 8.229 8.004 0.225 18399 2950 1 9 . 1 1 17 17 LYS N N 11 120.345 120.345 120.041 0.304 18399 2951 1 9 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.470 -0.215 18399 2952 1 9 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.090 1.257 18399 2953 1 9 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.988 -0.052 18399 2954 1 9 . 1 1 17 17 LYS H H 11 7.315 7.315 7.586 -0.271 18399 2955 1 9 . 1 1 18 18 VAL N N 12 125.270 125.270 124.766 0.504 18399 2956 1 9 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.700 -0.063 18399 2957 1 9 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.127 0.622 18399 2958 1 9 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.556 -0.364 18399 2959 1 9 . 1 1 18 18 VAL H H 12 8.576 8.576 8.274 0.302 18399 2960 1 9 . 1 1 19 19 ILE N N 13 130.928 130.928 128.092 2.836 18399 2961 1 9 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.385 -0.232 18399 2962 1 9 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.460 0.985 18399 2963 1 9 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.488 0.707 18399 2964 1 9 . 1 1 19 19 ILE H H 13 9.486 9.486 8.992 0.494 18399 2965 1 9 . 1 1 20 20 GLN N N 14 124.762 124.762 127.101 -2.339 18399 2966 1 9 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.835 0.227 18399 2967 1 9 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.572 0.223 18399 2968 1 9 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.265 0.336 18399 2969 1 9 . 1 1 20 20 GLN H H 14 8.803 8.803 8.511 0.292 18399 2970 1 9 . 1 1 21 21 ILE N N 15 126.010 126.010 121.011 4.999 18399 2971 1 9 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.623 -0.110 18399 2972 1 9 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.724 -0.085 18399 2973 1 9 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.325 -1.154 18399 2974 1 9 . 1 1 21 21 ILE H H 15 9.076 9.076 8.126 0.950 18399 2975 1 9 . 1 1 22 22 THR N N 16 118.074 118.074 117.185 0.889 18399 2976 1 9 . 1 1 22 22 THR HA H 16 4.904 4.904 4.616 0.288 18399 2977 1 9 . 1 1 22 22 THR CA C 16 61.462 61.462 61.597 -0.135 18399 2978 1 9 . 1 1 22 22 THR CB C 16 69.657 69.657 68.410 1.247 18399 2979 1 9 . 1 1 22 22 THR H H 16 9.047 9.047 8.491 0.556 18399 2980 1 9 . 1 1 23 23 SER N N 17 113.130 113.130 117.354 -4.224 18399 2981 1 9 . 1 1 23 23 SER HA H 17 4.440 4.440 4.643 -0.203 18399 2982 1 9 . 1 1 23 23 SER CA C 17 58.002 58.002 58.349 -0.347 18399 2983 1 9 . 1 1 23 23 SER CB C 17 64.268 64.268 63.273 0.995 18399 2984 1 9 . 1 1 23 23 SER H H 17 7.330 7.330 8.425 -1.095 18399 2985 1 9 . 1 1 24 24 LEU N N 18 123.241 123.241 124.700 -1.459 18399 2986 1 9 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.705 0.034 18399 2987 1 9 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.389 0.469 18399 2988 1 9 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.214 -1.724 18399 2989 1 9 . 1 1 24 24 LEU H H 18 8.728 8.728 7.929 0.799 18399 2990 1 9 . 1 1 25 25 THR N N 19 111.915 111.915 116.727 -4.812 18399 2991 1 9 . 1 1 25 25 THR HA H 19 4.816 4.816 4.232 0.584 18399 2992 1 9 . 1 1 25 25 THR CA C 19 59.575 59.575 61.638 -2.063 18399 2993 1 9 . 1 1 25 25 THR CB C 19 72.043 72.043 69.707 2.337 18399 2994 1 9 . 1 1 25 25 THR H H 19 9.363 9.363 8.323 1.040 18399 2995 1 9 . 1 1 26 26 ASP N N 20 117.183 117.183 117.801 -0.618 18399 2996 1 9 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.531 -0.198 18399 2997 1 9 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.144 2.585 18399 2998 1 9 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.141 -1.759 18399 2999 1 9 . 1 1 26 26 ASP H H 20 8.785 8.785 8.176 0.609 18399 3000 1 9 . 1 1 27 27 ASP N N 21 116.327 116.327 119.139 -2.812 18399 3001 1 9 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.541 0.133 18399 3002 1 9 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.020 -1.250 18399 3003 1 9 . 1 1 27 27 ASP CB C 21 42.294 42.294 41.572 0.722 18399 3004 1 9 . 1 1 27 27 ASP H H 21 7.775 7.775 8.075 -0.300 18399 3005 1 9 . 1 1 28 28 ASN N N 22 117.269 117.269 113.924 3.345 18399 3006 1 9 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.762 0.130 18399 3007 1 9 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.633 1.177 18399 3008 1 9 . 1 1 28 28 ASN CB C 22 41.101 41.101 39.665 1.436 18399 3009 1 9 . 1 1 28 28 ASN H H 22 7.829 7.829 8.290 -0.461 18399 3010 1 9 . 1 1 29 29 THR N N 23 108.639 108.639 113.822 -5.183 18399 3011 1 9 . 1 1 29 29 THR HA H 23 5.206 5.206 3.853 1.353 18399 3012 1 9 . 1 1 29 29 THR CA C 23 59.830 59.830 66.514 -6.684 18399 3013 1 9 . 1 1 29 29 THR CB C 23 72.396 72.396 67.438 4.958 18399 3014 1 9 . 1 1 29 29 THR H H 23 9.145 9.145 8.030 1.115 18399 3015 1 9 . 1 1 30 30 ILE N N 24 120.336 120.336 123.120 -2.784 18399 3016 1 9 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.818 -0.132 18399 3017 1 9 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.172 -3.592 18399 3018 1 9 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.721 -4.377 18399 3019 1 9 . 1 1 30 30 ILE H H 24 8.477 8.477 8.232 0.245 18399 3020 1 9 . 1 1 31 31 ALA N N 25 123.489 123.489 122.416 1.073 18399 3021 1 9 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.152 -0.281 18399 3022 1 9 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.342 0.614 18399 3023 1 9 . 1 1 31 31 ALA CB C 25 18.160 18.160 18.025 0.135 18399 3024 1 9 . 1 1 31 31 ALA H H 25 8.951 8.951 7.678 1.273 18399 3025 1 9 . 1 1 32 32 GLU N N 26 120.101 120.101 118.867 1.234 18399 3026 1 9 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.141 -0.126 18399 3027 1 9 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.115 0.236 18399 3028 1 9 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.337 -0.615 18399 3029 1 9 . 1 1 32 32 GLU H H 26 7.988 7.988 8.521 -0.533 18399 3030 1 9 . 1 1 33 33 LEU N N 27 124.025 124.025 120.404 3.621 18399 3031 1 9 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.032 0.001 18399 3032 1 9 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.737 0.925 18399 3033 1 9 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.214 -2.057 18399 3034 1 9 . 1 1 33 33 LEU H H 27 8.083 8.083 7.829 0.254 18399 3035 1 9 . 1 1 34 34 LYS N N 28 119.471 119.471 118.573 0.898 18399 3036 1 9 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.152 -0.353 18399 3037 1 9 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.601 1.909 18399 3038 1 9 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.672 0.176 18399 3039 1 9 . 1 1 34 34 LYS H H 28 8.746 8.746 8.670 0.076 18399 3040 1 9 . 1 1 35 35 GLY N N 29 106.034 106.034 107.850 -1.816 18399 3041 1 9 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.859 0.183 18399 3042 1 9 . 1 1 35 35 GLY H H 29 8.096 8.096 8.472 -0.376 18399 3043 1 9 . 1 1 36 36 LYS N N 30 121.196 121.196 122.302 -1.106 18399 3044 1 9 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.150 0.087 18399 3045 1 9 . 1 1 36 36 LYS CA C 30 57.342 57.342 59.123 -1.781 18399 3046 1 9 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.383 -1.850 18399 3047 1 9 . 1 1 36 36 LYS H H 30 7.704 7.704 7.804 -0.100 18399 3048 1 9 . 1 1 37 37 LEU N N 31 121.657 121.657 120.906 0.751 18399 3049 1 9 . 1 1 37 37 LEU HA H 31 4.295 4.295 3.995 0.300 18399 3050 1 9 . 1 1 37 37 LEU CA C 31 57.282 57.282 58.078 -0.796 18399 3051 1 9 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.095 0.097 18399 3052 1 9 . 1 1 37 37 LEU H H 31 7.948 7.948 8.113 -0.165 18399 3053 1 9 . 1 1 38 38 GLU N N 32 123.295 123.295 118.639 4.656 18399 3054 1 9 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.983 0.371 18399 3055 1 9 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.878 0.426 18399 3056 1 9 . 1 1 38 38 GLU CB C 32 29.339 29.339 29.033 0.306 18399 3057 1 9 . 1 1 38 38 GLU H H 32 8.714 8.714 8.117 0.597 18399 3058 1 9 . 1 1 39 39 GLU N N 33 118.296 118.296 119.880 -1.584 18399 3059 1 9 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.061 -0.075 18399 3060 1 9 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.703 0.439 18399 3061 1 9 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.593 0.009 18399 3062 1 9 . 1 1 39 39 GLU H H 33 7.470 7.470 7.852 -0.382 18399 3063 1 9 . 1 1 40 40 SER N N 34 112.266 112.266 114.452 -2.186 18399 3064 1 9 . 1 1 40 40 SER CA C 34 61.150 61.150 60.916 0.234 18399 3065 1 9 . 1 1 40 40 SER CB C 34 63.578 63.578 63.192 0.386 18399 3066 1 9 . 1 1 40 40 SER H H 34 8.054 8.054 7.758 0.296 18399 3067 1 9 . 1 1 41 41 GLU N N 35 116.449 116.449 119.071 -2.622 18399 3068 1 9 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.359 0.008 18399 3069 1 9 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.743 -1.687 18399 3070 1 9 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.176 0.368 18399 3071 1 9 . 1 1 41 41 GLU H H 35 8.908 8.908 7.802 1.106 18399 3072 1 9 . 1 1 42 42 GLY N N 36 108.168 108.168 108.426 -0.258 18399 3073 1 9 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.091 0.333 18399 3074 1 9 . 1 1 42 42 GLY H H 36 7.930 7.930 7.685 0.245 18399 3075 1 9 . 1 1 43 43 ILE N N 37 120.326 120.326 117.179 3.147 18399 3076 1 9 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.569 -0.839 18399 3077 1 9 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.794 1.425 18399 3078 1 9 . 1 1 43 43 ILE H H 37 6.446 6.446 7.268 -0.822 18399 3079 1 9 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.606 -0.430 18399 3080 1 9 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.590 0.428 18399 3081 1 9 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.626 -0.467 18399 3082 1 9 . 1 1 45 45 GLY N N 39 111.710 111.710 110.423 1.287 18399 3083 1 9 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.566 1.040 18399 3084 1 9 . 1 1 45 45 GLY H H 39 9.228 9.228 8.620 0.608 18399 3085 1 9 . 1 1 46 46 ASN N N 40 114.967 114.967 114.290 0.677 18399 3086 1 9 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.645 -0.133 18399 3087 1 9 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.374 1.099 18399 3088 1 9 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.084 -1.574 18399 3089 1 9 . 1 1 46 46 ASN H H 40 8.325 8.325 8.017 0.308 18399 3090 1 9 . 1 1 47 47 MET N N 41 118.446 118.446 119.249 -0.803 18399 3091 1 9 . 1 1 47 47 MET HA H 41 4.557 4.557 4.486 0.071 18399 3092 1 9 . 1 1 47 47 MET CA C 41 54.886 54.886 56.356 -1.470 18399 3093 1 9 . 1 1 47 47 MET CB C 41 32.632 32.632 33.464 -0.832 18399 3094 1 9 . 1 1 47 47 MET H H 41 8.247 8.247 7.982 0.265 18399 3095 1 9 . 1 1 48 48 ILE N N 42 119.569 119.569 116.751 2.818 18399 3096 1 9 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.744 0.352 18399 3097 1 9 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.932 0.817 18399 3098 1 9 . 1 1 48 48 ILE CB C 42 39.436 39.436 35.728 3.708 18399 3099 1 9 . 1 1 48 48 ILE H H 42 7.422 7.422 7.851 -0.429 18399 3100 1 9 . 1 1 49 49 ARG N N 43 127.179 127.179 121.949 5.230 18399 3101 1 9 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.604 -0.024 18399 3102 1 9 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.829 -0.867 18399 3103 1 9 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.394 -1.365 18399 3104 1 9 . 1 1 49 49 ARG H H 43 8.967 8.967 7.807 1.160 18399 3105 1 9 . 1 1 50 50 LEU N N 44 122.639 122.639 122.886 -0.247 18399 3106 1 9 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.158 0.249 18399 3107 1 9 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.252 -0.557 18399 3108 1 9 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.792 2.863 18399 3109 1 9 . 1 1 50 50 LEU H H 44 8.603 8.603 8.439 0.164 18399 3110 1 9 . 1 1 51 51 VAL N N 45 121.931 121.931 118.499 3.432 18399 3111 1 9 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.840 -0.132 18399 3112 1 9 . 1 1 51 51 VAL CA C 45 60.583 60.583 60.333 0.251 18399 3113 1 9 . 1 1 51 51 VAL CB C 45 34.601 34.601 32.742 1.859 18399 3114 1 9 . 1 1 51 51 VAL H H 45 8.960 8.960 8.327 0.633 18399 3115 1 9 . 1 1 52 52 TYR N N 46 126.384 126.384 128.085 -1.701 18399 3116 1 9 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.790 0.299 18399 3117 1 9 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.174 -0.099 18399 3118 1 9 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.889 1.780 18399 3119 1 9 . 1 1 52 52 TYR H H 46 8.879 8.879 8.838 0.041 18399 3120 1 9 . 1 1 53 53 GLN N N 47 127.041 127.041 128.352 -1.311 18399 3121 1 9 . 1 1 53 53 GLN HA H 47 3.656 3.656 4.034 -0.378 18399 3122 1 9 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.832 -0.558 18399 3123 1 9 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.446 -2.005 18399 3124 1 9 . 1 1 53 53 GLN H H 47 9.323 9.323 9.615 -0.292 18399 3125 1 9 . 1 1 54 54 GLY N N 48 102.991 102.991 103.164 -0.173 18399 3126 1 9 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.086 0.287 18399 3127 1 9 . 1 1 54 54 GLY H H 48 8.358 8.358 8.692 -0.334 18399 3128 1 9 . 1 1 55 55 LYS N N 49 121.595 121.595 120.971 0.624 18399 3129 1 9 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.646 -0.029 18399 3130 1 9 . 1 1 55 55 LYS CA C 49 54.340 54.340 55.235 -0.895 18399 3131 1 9 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.656 -0.454 18399 3132 1 9 . 1 1 55 55 LYS H H 49 7.819 7.819 7.984 -0.165 18399 3133 1 9 . 1 1 56 56 GLN N N 50 122.484 122.484 119.224 3.260 18399 3134 1 9 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.713 -0.128 18399 3135 1 9 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.830 0.948 18399 3136 1 9 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.528 -1.827 18399 3137 1 9 . 1 1 56 56 GLN H H 50 8.757 8.757 8.373 0.384 18399 3138 1 9 . 1 1 57 57 LEU N N 51 125.130 125.130 121.509 3.621 18399 3139 1 9 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.091 0.209 18399 3140 1 9 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.921 -1.782 18399 3141 1 9 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.513 0.712 18399 3142 1 9 . 1 1 57 57 LEU H H 51 8.442 8.442 8.729 -0.287 18399 3143 1 9 . 1 1 58 58 GLU N N 52 122.551 122.551 120.792 1.759 18399 3144 1 9 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.464 -0.005 18399 3145 1 9 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.278 -0.168 18399 3146 1 9 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.517 0.528 18399 3147 1 9 . 1 1 58 58 GLU H H 52 8.125 8.125 8.633 -0.508 18399 3148 1 9 . 1 1 59 59 ASP N N 53 122.235 122.235 121.984 0.251 18399 3149 1 9 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.348 -0.203 18399 3150 1 9 . 1 1 59 59 ASP CA C 53 57.699 57.699 58.424 -0.725 18399 3151 1 9 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.960 0.051 18399 3152 1 9 . 1 1 59 59 ASP H H 53 8.346 8.346 8.678 -0.332 18399 3153 1 9 . 1 1 60 60 GLU N N 54 113.128 113.128 116.861 -3.733 18399 3154 1 9 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.134 0.181 18399 3155 1 9 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.226 -0.890 18399 3156 1 9 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.502 -0.459 18399 3157 1 9 . 1 1 60 60 GLU H H 54 8.756 8.756 8.518 0.238 18399 3158 1 9 . 1 1 61 61 LYS N N 55 119.869 119.869 119.311 0.558 18399 3159 1 9 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.434 -0.183 18399 3160 1 9 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.704 1.253 18399 3161 1 9 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.502 1.442 18399 3162 1 9 . 1 1 61 61 LYS H H 55 7.677 7.677 7.667 0.010 18399 3163 1 9 . 1 1 62 62 ARG N N 56 117.724 117.724 120.205 -2.481 18399 3164 1 9 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.171 0.553 18399 3165 1 9 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.706 2.414 18399 3166 1 9 . 1 1 62 62 ARG H H 56 8.797 8.797 7.670 1.127 18399 3167 1 9 . 1 1 63 63 LEU N N 57 123.223 123.223 121.755 1.468 18399 3168 1 9 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.244 -0.206 18399 3169 1 9 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.352 2.072 18399 3170 1 9 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.721 -1.323 18399 3171 1 9 . 1 1 63 63 LEU H H 57 8.728 8.728 8.422 0.306 18399 3172 1 9 . 1 1 64 64 LYS N N 58 114.073 114.073 118.262 -4.189 18399 3173 1 9 . 1 1 64 64 LYS HA H 58 4.409 4.409 4.027 0.382 18399 3174 1 9 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.017 -1.183 18399 3175 1 9 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.552 -0.428 18399 3176 1 9 . 1 1 64 64 LYS H H 58 8.681 8.681 8.315 0.366 18399 3177 1 9 . 1 1 65 65 ASP N N 59 120.640 120.640 118.744 1.896 18399 3178 1 9 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.522 -0.103 18399 3179 1 9 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.792 0.714 18399 3180 1 9 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.942 -0.894 18399 3181 1 9 . 1 1 65 65 ASP H H 59 7.862 7.862 8.138 -0.276 18399 3182 1 9 . 1 1 66 66 TYR N N 60 117.775 117.775 119.810 -2.035 18399 3183 1 9 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.249 0.367 18399 3184 1 9 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.388 -2.238 18399 3185 1 9 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.920 0.409 18399 3186 1 9 . 1 1 66 66 TYR H H 60 7.545 7.545 7.978 -0.433 18399 3187 1 9 . 1 1 67 67 GLN N N 61 117.450 117.450 117.351 0.099 18399 3188 1 9 . 1 1 67 67 GLN HA H 61 4.183 4.183 3.940 0.243 18399 3189 1 9 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.389 -0.772 18399 3190 1 9 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.477 -1.899 18399 3191 1 9 . 1 1 67 67 GLN H H 61 8.155 8.155 7.882 0.273 18399 3192 1 9 . 1 1 68 68 MET N N 62 120.193 120.193 118.183 2.010 18399 3193 1 9 . 1 1 68 68 MET HA H 62 4.470 4.470 4.371 0.099 18399 3194 1 9 . 1 1 68 68 MET CA C 62 55.767 55.767 55.803 -0.036 18399 3195 1 9 . 1 1 68 68 MET CB C 62 33.105 33.105 32.641 0.464 18399 3196 1 9 . 1 1 68 68 MET H H 62 7.997 7.997 7.409 0.588 18399 3197 1 9 . 1 1 69 69 SER N N 63 116.722 116.722 112.227 4.495 18399 3198 1 9 . 1 1 69 69 SER HA H 63 4.530 4.530 4.253 0.277 18399 3199 1 9 . 1 1 69 69 SER CA C 63 57.654 57.654 59.822 -2.168 18399 3200 1 9 . 1 1 69 69 SER CB C 63 64.803 64.803 62.212 2.591 18399 3201 1 9 . 1 1 69 69 SER H H 63 8.073 8.073 8.687 -0.614 18399 3202 1 9 . 1 1 70 70 ALA N N 64 123.286 123.286 120.037 3.249 18399 3203 1 9 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.428 -0.172 18399 3204 1 9 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.095 1.471 18399 3205 1 9 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.437 -1.195 18399 3206 1 9 . 1 1 70 70 ALA H H 64 8.492 8.492 8.069 0.423 18399 3207 1 9 . 1 1 71 71 GLY N N 65 110.294 110.294 107.814 2.480 18399 3208 1 9 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.435 0.692 18399 3209 1 9 . 1 1 71 71 GLY H H 65 8.907 8.907 8.153 0.754 18399 3210 1 9 . 1 1 72 72 ALA N N 66 123.229 123.229 129.202 -5.973 18399 3211 1 9 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.252 0.036 18399 3212 1 9 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.203 0.673 18399 3213 1 9 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.434 0.392 18399 3214 1 9 . 1 1 72 72 ALA H H 66 7.572 7.572 8.689 -1.117 18399 3215 1 9 . 1 1 73 73 THR N N 67 116.161 116.161 115.265 0.896 18399 3216 1 9 . 1 1 73 73 THR HA H 67 5.060 5.060 4.442 0.618 18399 3217 1 9 . 1 1 73 73 THR CA C 67 61.493 61.493 60.132 1.361 18399 3218 1 9 . 1 1 73 73 THR CB C 67 71.022 71.022 71.072 -0.050 18399 3219 1 9 . 1 1 73 73 THR H H 67 8.253 8.253 8.671 -0.418 18399 3220 1 9 . 1 1 74 74 PHE N N 68 124.518 124.518 126.441 -1.923 18399 3221 1 9 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.168 0.201 18399 3222 1 9 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.103 -2.090 18399 3223 1 9 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.755 -0.862 18399 3224 1 9 . 1 1 74 74 PHE H H 68 8.989 8.989 8.338 0.651 18399 3225 1 9 . 1 1 75 75 HIS N N 69 120.835 120.835 127.070 -6.235 18399 3226 1 9 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.796 0.350 18399 3227 1 9 . 1 1 75 75 HIS CA C 69 56.131 56.131 55.076 1.055 18399 3228 1 9 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.203 0.381 18399 3229 1 9 . 1 1 75 75 HIS H H 69 9.300 9.300 8.675 0.625 18399 3230 1 9 . 1 1 76 76 MET N N 70 122.731 122.731 122.405 0.326 18399 3231 1 9 . 1 1 76 76 MET HA H 70 5.199 5.199 4.575 0.624 18399 3232 1 9 . 1 1 76 76 MET CA C 70 54.683 54.683 54.544 0.139 18399 3233 1 9 . 1 1 76 76 MET CB C 70 35.426 35.426 36.257 -0.831 18399 3234 1 9 . 1 1 76 76 MET H H 70 8.563 8.563 8.277 0.286 18399 3235 1 9 . 1 1 77 77 VAL N N 71 128.801 128.801 126.210 2.591 18399 3236 1 9 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.441 -0.164 18399 3237 1 9 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.546 0.797 18399 3238 1 9 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.898 0.758 18399 3239 1 9 . 1 1 77 77 VAL H H 71 9.118 9.118 8.573 0.545 18399 3240 1 9 . 1 1 78 78 VAL N N 72 125.528 125.528 129.255 -3.727 18399 3241 1 9 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.195 0.423 18399 3242 1 9 . 1 1 78 78 VAL CA C 72 61.485 61.485 61.920 -0.435 18399 3243 1 9 . 1 1 78 78 VAL CB C 72 32.311 32.311 31.480 0.831 18399 3244 1 9 . 1 1 78 78 VAL H H 72 8.544 8.544 8.407 0.137 18399 3245 1 9 . 1 1 79 79 ALA N N 73 131.664 131.664 131.637 0.027 18399 3246 1 9 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.699 -0.376 18399 3247 1 9 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.772 -0.026 18399 3248 1 9 . 1 1 79 79 ALA CB C 73 19.445 19.445 19.170 0.275 18399 3249 1 9 . 1 1 79 79 ALA H H 73 8.957 8.957 8.472 0.485 18399 3250 1 9 . 1 1 80 80 LEU N N 74 120.722 120.722 119.266 1.456 18399 3251 1 9 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.608 -0.329 18399 3252 1 9 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.972 -0.781 18399 3253 1 9 . 1 1 80 80 LEU CB C 74 42.356 42.356 41.873 0.483 18399 3254 1 9 . 1 1 80 80 LEU H H 74 8.193 8.193 8.318 -0.125 18399 3255 1 9 . 1 1 81 81 ARG N N 75 121.022 121.022 122.580 -1.558 18399 3256 1 9 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.189 0.105 18399 3257 1 9 . 1 1 81 81 ARG CA C 75 55.604 55.604 56.845 -1.241 18399 3258 1 9 . 1 1 81 81 ARG CB C 75 30.856 30.856 30.178 0.678 18399 3259 1 9 . 1 1 81 81 ARG H H 75 8.207 8.207 8.202 0.005 18399 3260 1 9 . 1 1 82 82 ALA N N 76 125.815 125.815 120.586 5.229 18399 3261 1 9 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.183 0.095 18399 3262 1 9 . 1 1 82 82 ALA CA C 76 52.478 52.478 52.113 0.365 18399 3263 1 9 . 1 1 82 82 ALA CB C 76 18.813 18.813 18.919 -0.106 18399 3264 1 9 . 1 1 82 82 ALA H H 76 8.471 8.471 7.717 0.754 18399 3265 1 9 . 1 1 83 83 GLY N N 77 109.110 109.110 106.976 2.134 18399 3266 1 9 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.566 -0.230 18399 3267 1 9 . 1 1 83 83 GLY H H 77 8.506 8.506 8.988 -0.482 18399 3268 1 10 . 1 1 8 8 LEU N N 2 125.142 125.142 121.857 3.285 18399 3269 1 10 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.167 -0.693 18399 3270 1 10 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.882 1.393 18399 3271 1 10 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.826 -1.924 18399 3272 1 10 . 1 1 8 8 LEU H H 2 8.251 8.251 7.724 0.527 18399 3273 1 10 . 1 1 9 9 LEU N N 3 126.326 126.326 121.593 4.733 18399 3274 1 10 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.958 -0.162 18399 3275 1 10 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.257 -0.214 18399 3276 1 10 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.077 -1.569 18399 3277 1 10 . 1 1 9 9 LEU H H 3 8.307 8.307 8.297 0.010 18399 3278 1 10 . 1 1 10 10 LYS N N 4 121.349 121.349 123.702 -2.353 18399 3279 1 10 . 1 1 10 10 LYS HA H 4 5.080 5.080 4.976 0.104 18399 3280 1 10 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.810 -0.178 18399 3281 1 10 . 1 1 10 10 LYS CB C 4 34.425 34.425 33.962 0.463 18399 3282 1 10 . 1 1 10 10 LYS H H 4 8.428 8.428 8.524 -0.096 18399 3283 1 10 . 1 1 11 11 VAL N N 5 122.408 122.408 123.286 -0.878 18399 3284 1 10 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.933 -0.245 18399 3285 1 10 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.517 0.809 18399 3286 1 10 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.269 1.561 18399 3287 1 10 . 1 1 11 11 VAL H H 5 9.088 9.088 8.425 0.663 18399 3288 1 10 . 1 1 12 12 LYS N N 6 127.778 127.778 126.245 1.533 18399 3289 1 10 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.289 0.063 18399 3290 1 10 . 1 1 12 12 LYS CA C 6 54.675 54.675 54.282 0.393 18399 3291 1 10 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.027 -0.843 18399 3292 1 10 . 1 1 12 12 LYS H H 6 9.029 9.029 8.602 0.427 18399 3293 1 10 . 1 1 13 13 THR N N 7 116.723 116.723 118.319 -1.596 18399 3294 1 10 . 1 1 13 13 THR HA H 7 4.860 4.860 4.798 0.062 18399 3295 1 10 . 1 1 13 13 THR CA C 7 60.392 60.392 60.426 -0.034 18399 3296 1 10 . 1 1 13 13 THR CB C 7 71.189 71.189 70.273 0.916 18399 3297 1 10 . 1 1 13 13 THR H H 7 8.790 8.790 8.370 0.420 18399 3298 1 10 . 1 1 14 14 VAL N N 8 119.340 119.340 121.731 -2.391 18399 3299 1 10 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.136 -0.033 18399 3300 1 10 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.104 0.608 18399 3301 1 10 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.533 -0.373 18399 3302 1 10 . 1 1 14 14 VAL H H 8 8.872 8.872 8.726 0.146 18399 3303 1 10 . 1 1 15 15 SER N N 9 114.630 114.630 115.177 -0.547 18399 3304 1 10 . 1 1 15 15 SER HA H 9 4.513 4.513 4.482 0.031 18399 3305 1 10 . 1 1 15 15 SER CA C 9 57.913 57.913 58.412 -0.499 18399 3306 1 10 . 1 1 15 15 SER CB C 9 63.243 63.243 63.034 0.209 18399 3307 1 10 . 1 1 15 15 SER H H 9 7.859 7.859 7.921 -0.062 18399 3308 1 10 . 1 1 16 16 ASN N N 10 115.509 115.509 117.409 -1.900 18399 3309 1 10 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.366 -0.174 18399 3310 1 10 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.649 0.312 18399 3311 1 10 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.469 -1.174 18399 3312 1 10 . 1 1 16 16 ASN H H 10 8.229 8.229 7.992 0.237 18399 3313 1 10 . 1 1 17 17 LYS N N 11 120.345 120.345 119.778 0.567 18399 3314 1 10 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.511 -0.256 18399 3315 1 10 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.036 1.311 18399 3316 1 10 . 1 1 17 17 LYS CB C 11 32.936 32.936 33.053 -0.117 18399 3317 1 10 . 1 1 17 17 LYS H H 11 7.315 7.315 7.626 -0.311 18399 3318 1 10 . 1 1 18 18 VAL N N 12 125.270 125.270 125.039 0.231 18399 3319 1 10 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.492 0.145 18399 3320 1 10 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.620 0.129 18399 3321 1 10 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.876 -0.684 18399 3322 1 10 . 1 1 18 18 VAL H H 12 8.576 8.576 8.323 0.253 18399 3323 1 10 . 1 1 19 19 ILE N N 13 130.928 130.928 127.853 3.075 18399 3324 1 10 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.372 -0.219 18399 3325 1 10 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.575 0.870 18399 3326 1 10 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.913 0.282 18399 3327 1 10 . 1 1 19 19 ILE H H 13 9.486 9.486 8.760 0.726 18399 3328 1 10 . 1 1 20 20 GLN N N 14 124.762 124.762 128.322 -3.560 18399 3329 1 10 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.759 0.303 18399 3330 1 10 . 1 1 20 20 GLN CA C 14 54.795 54.795 55.090 -0.295 18399 3331 1 10 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.666 -0.065 18399 3332 1 10 . 1 1 20 20 GLN H H 14 8.803 8.803 8.566 0.237 18399 3333 1 10 . 1 1 21 21 ILE N N 15 126.010 126.010 122.931 3.079 18399 3334 1 10 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.626 -0.113 18399 3335 1 10 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.348 0.291 18399 3336 1 10 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.871 -1.700 18399 3337 1 10 . 1 1 21 21 ILE H H 15 9.076 9.076 8.195 0.881 18399 3338 1 10 . 1 1 22 22 THR N N 16 118.074 118.074 117.429 0.645 18399 3339 1 10 . 1 1 22 22 THR HA H 16 4.904 4.904 4.525 0.379 18399 3340 1 10 . 1 1 22 22 THR CA C 16 61.462 61.462 61.622 -0.160 18399 3341 1 10 . 1 1 22 22 THR CB C 16 69.657 69.657 68.474 1.183 18399 3342 1 10 . 1 1 22 22 THR H H 16 9.047 9.047 8.542 0.505 18399 3343 1 10 . 1 1 23 23 SER N N 17 113.130 113.130 119.373 -6.243 18399 3344 1 10 . 1 1 23 23 SER HA H 17 4.440 4.440 4.622 -0.182 18399 3345 1 10 . 1 1 23 23 SER CA C 17 58.002 58.002 58.638 -0.636 18399 3346 1 10 . 1 1 23 23 SER CB C 17 64.268 64.268 63.497 0.771 18399 3347 1 10 . 1 1 23 23 SER H H 17 7.330 7.330 8.224 -0.894 18399 3348 1 10 . 1 1 24 24 LEU N N 18 123.241 123.241 125.937 -2.696 18399 3349 1 10 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.724 0.015 18399 3350 1 10 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.844 0.014 18399 3351 1 10 . 1 1 24 24 LEU CB C 18 42.490 42.490 45.517 -3.027 18399 3352 1 10 . 1 1 24 24 LEU H H 18 8.728 8.728 7.810 0.918 18399 3353 1 10 . 1 1 25 25 THR N N 19 111.915 111.915 113.823 -1.908 18399 3354 1 10 . 1 1 25 25 THR HA H 19 4.816 4.816 4.333 0.483 18399 3355 1 10 . 1 1 25 25 THR CA C 19 59.575 59.575 60.743 -1.168 18399 3356 1 10 . 1 1 25 25 THR CB C 19 72.043 72.043 70.297 1.746 18399 3357 1 10 . 1 1 25 25 THR H H 19 9.363 9.363 8.347 1.016 18399 3358 1 10 . 1 1 26 26 ASP N N 20 117.183 117.183 116.514 0.669 18399 3359 1 10 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.654 -0.321 18399 3360 1 10 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.661 2.068 18399 3361 1 10 . 1 1 26 26 ASP CB C 20 39.382 39.382 40.965 -1.583 18399 3362 1 10 . 1 1 26 26 ASP H H 20 8.785 8.785 8.470 0.315 18399 3363 1 10 . 1 1 27 27 ASP N N 21 116.327 116.327 119.378 -3.051 18399 3364 1 10 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.607 0.067 18399 3365 1 10 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.929 -2.159 18399 3366 1 10 . 1 1 27 27 ASP CB C 21 42.294 42.294 42.161 0.133 18399 3367 1 10 . 1 1 27 27 ASP H H 21 7.775 7.775 8.351 -0.576 18399 3368 1 10 . 1 1 28 28 ASN N N 22 117.269 117.269 113.530 3.739 18399 3369 1 10 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.828 0.064 18399 3370 1 10 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.196 1.614 18399 3371 1 10 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.766 0.335 18399 3372 1 10 . 1 1 28 28 ASN H H 22 7.829 7.829 8.476 -0.647 18399 3373 1 10 . 1 1 29 29 THR N N 23 108.639 108.639 114.550 -5.911 18399 3374 1 10 . 1 1 29 29 THR HA H 23 5.206 5.206 3.843 1.363 18399 3375 1 10 . 1 1 29 29 THR CA C 23 59.830 59.830 66.084 -6.254 18399 3376 1 10 . 1 1 29 29 THR CB C 23 72.396 72.396 67.646 4.750 18399 3377 1 10 . 1 1 29 29 THR H H 23 9.145 9.145 8.131 1.014 18399 3378 1 10 . 1 1 30 30 ILE N N 24 120.336 120.336 122.562 -2.226 18399 3379 1 10 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.816 -0.130 18399 3380 1 10 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.371 -3.791 18399 3381 1 10 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.785 -4.441 18399 3382 1 10 . 1 1 30 30 ILE H H 24 8.477 8.477 8.097 0.380 18399 3383 1 10 . 1 1 31 31 ALA N N 25 123.489 123.489 122.371 1.118 18399 3384 1 10 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.154 -0.283 18399 3385 1 10 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.313 0.643 18399 3386 1 10 . 1 1 31 31 ALA CB C 25 18.160 18.160 18.050 0.109 18399 3387 1 10 . 1 1 31 31 ALA H H 25 8.951 8.951 7.713 1.238 18399 3388 1 10 . 1 1 32 32 GLU N N 26 120.101 120.101 118.944 1.157 18399 3389 1 10 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.104 -0.089 18399 3390 1 10 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.123 0.228 18399 3391 1 10 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.261 -0.539 18399 3392 1 10 . 1 1 32 32 GLU H H 26 7.988 7.988 8.548 -0.560 18399 3393 1 10 . 1 1 33 33 LEU N N 27 124.025 124.025 120.281 3.744 18399 3394 1 10 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.025 0.008 18399 3395 1 10 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.770 0.892 18399 3396 1 10 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.180 -2.023 18399 3397 1 10 . 1 1 33 33 LEU H H 27 8.083 8.083 7.886 0.197 18399 3398 1 10 . 1 1 34 34 LYS N N 28 119.471 119.471 118.397 1.074 18399 3399 1 10 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.122 -0.323 18399 3400 1 10 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.645 1.865 18399 3401 1 10 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.799 0.049 18399 3402 1 10 . 1 1 34 34 LYS H H 28 8.746 8.746 8.691 0.055 18399 3403 1 10 . 1 1 35 35 GLY N N 29 106.034 106.034 107.895 -1.861 18399 3404 1 10 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.894 0.148 18399 3405 1 10 . 1 1 35 35 GLY H H 29 8.096 8.096 8.407 -0.311 18399 3406 1 10 . 1 1 36 36 LYS N N 30 121.196 121.196 122.041 -0.845 18399 3407 1 10 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.149 0.088 18399 3408 1 10 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.284 -0.942 18399 3409 1 10 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.272 -1.739 18399 3410 1 10 . 1 1 36 36 LYS H H 30 7.704 7.704 7.848 -0.144 18399 3411 1 10 . 1 1 37 37 LEU N N 31 121.657 121.657 120.811 0.846 18399 3412 1 10 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.003 0.292 18399 3413 1 10 . 1 1 37 37 LEU CA C 31 57.282 57.282 58.248 -0.966 18399 3414 1 10 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.144 0.048 18399 3415 1 10 . 1 1 37 37 LEU H H 31 7.948 7.948 7.981 -0.033 18399 3416 1 10 . 1 1 38 38 GLU N N 32 123.295 123.295 118.426 4.869 18399 3417 1 10 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.974 0.380 18399 3418 1 10 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.825 0.479 18399 3419 1 10 . 1 1 38 38 GLU CB C 32 29.339 29.339 29.024 0.315 18399 3420 1 10 . 1 1 38 38 GLU H H 32 8.714 8.714 8.096 0.618 18399 3421 1 10 . 1 1 39 39 GLU N N 33 118.296 118.296 119.549 -1.253 18399 3422 1 10 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.097 -0.111 18399 3423 1 10 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.624 0.518 18399 3424 1 10 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.397 0.205 18399 3425 1 10 . 1 1 39 39 GLU H H 33 7.470 7.470 7.915 -0.445 18399 3426 1 10 . 1 1 40 40 SER N N 34 112.266 112.266 114.268 -2.002 18399 3427 1 10 . 1 1 40 40 SER CA C 34 61.150 61.150 61.064 0.086 18399 3428 1 10 . 1 1 40 40 SER CB C 34 63.578 63.578 63.191 0.387 18399 3429 1 10 . 1 1 40 40 SER H H 34 8.054 8.054 7.749 0.305 18399 3430 1 10 . 1 1 41 41 GLU N N 35 116.449 116.449 118.536 -2.087 18399 3431 1 10 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.379 -0.012 18399 3432 1 10 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.499 -1.443 18399 3433 1 10 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.441 0.103 18399 3434 1 10 . 1 1 41 41 GLU H H 35 8.908 8.908 7.775 1.133 18399 3435 1 10 . 1 1 42 42 GLY N N 36 108.168 108.168 108.777 -0.609 18399 3436 1 10 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.098 0.326 18399 3437 1 10 . 1 1 42 42 GLY H H 36 7.930 7.930 8.032 -0.102 18399 3438 1 10 . 1 1 43 43 ILE N N 37 120.326 120.326 117.410 2.916 18399 3439 1 10 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.568 -0.838 18399 3440 1 10 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.828 1.391 18399 3441 1 10 . 1 1 43 43 ILE H H 37 6.446 6.446 7.336 -0.890 18399 3442 1 10 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.613 -0.437 18399 3443 1 10 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.552 0.466 18399 3444 1 10 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.738 -0.579 18399 3445 1 10 . 1 1 45 45 GLY N N 39 111.710 111.710 109.139 2.571 18399 3446 1 10 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.827 0.779 18399 3447 1 10 . 1 1 45 45 GLY H H 39 9.228 9.228 8.897 0.331 18399 3448 1 10 . 1 1 46 46 ASN N N 40 114.967 114.967 114.133 0.834 18399 3449 1 10 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.688 -0.176 18399 3450 1 10 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.542 0.931 18399 3451 1 10 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.727 -2.216 18399 3452 1 10 . 1 1 46 46 ASN H H 40 8.325 8.325 8.182 0.143 18399 3453 1 10 . 1 1 47 47 MET N N 41 118.446 118.446 118.581 -0.135 18399 3454 1 10 . 1 1 47 47 MET HA H 41 4.557 4.557 4.471 0.086 18399 3455 1 10 . 1 1 47 47 MET CA C 41 54.886 54.886 55.991 -1.105 18399 3456 1 10 . 1 1 47 47 MET CB C 41 32.632 32.632 34.082 -1.450 18399 3457 1 10 . 1 1 47 47 MET H H 41 8.247 8.247 7.869 0.378 18399 3458 1 10 . 1 1 48 48 ILE N N 42 119.569 119.569 117.078 2.491 18399 3459 1 10 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.789 0.307 18399 3460 1 10 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.547 1.202 18399 3461 1 10 . 1 1 48 48 ILE CB C 42 39.436 39.436 34.899 4.537 18399 3462 1 10 . 1 1 48 48 ILE H H 42 7.422 7.422 7.896 -0.474 18399 3463 1 10 . 1 1 49 49 ARG N N 43 127.179 127.179 121.793 5.386 18399 3464 1 10 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.564 0.016 18399 3465 1 10 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.821 -0.859 18399 3466 1 10 . 1 1 49 49 ARG CB C 43 31.029 31.029 31.980 -0.951 18399 3467 1 10 . 1 1 49 49 ARG H H 43 8.967 8.967 7.849 1.118 18399 3468 1 10 . 1 1 50 50 LEU N N 44 122.639 122.639 121.440 1.199 18399 3469 1 10 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.085 0.322 18399 3470 1 10 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.158 -0.463 18399 3471 1 10 . 1 1 50 50 LEU CB C 44 46.655 46.655 44.134 2.521 18399 3472 1 10 . 1 1 50 50 LEU H H 44 8.603 8.603 8.439 0.164 18399 3473 1 10 . 1 1 51 51 VAL N N 45 121.931 121.931 118.715 3.216 18399 3474 1 10 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.776 -0.068 18399 3475 1 10 . 1 1 51 51 VAL CA C 45 60.583 60.583 61.110 -0.527 18399 3476 1 10 . 1 1 51 51 VAL CB C 45 34.601 34.601 33.649 0.952 18399 3477 1 10 . 1 1 51 51 VAL H H 45 8.960 8.960 8.198 0.762 18399 3478 1 10 . 1 1 52 52 TYR N N 46 126.384 126.384 128.785 -2.401 18399 3479 1 10 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.811 0.278 18399 3480 1 10 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.752 -0.677 18399 3481 1 10 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.732 1.937 18399 3482 1 10 . 1 1 52 52 TYR H H 46 8.879 8.879 8.971 -0.092 18399 3483 1 10 . 1 1 53 53 GLN N N 47 127.041 127.041 127.795 -0.754 18399 3484 1 10 . 1 1 53 53 GLN HA H 47 3.656 3.656 4.064 -0.408 18399 3485 1 10 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.508 -0.235 18399 3486 1 10 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.290 -1.849 18399 3487 1 10 . 1 1 53 53 GLN H H 47 9.323 9.323 9.506 -0.183 18399 3488 1 10 . 1 1 54 54 GLY N N 48 102.991 102.991 102.739 0.252 18399 3489 1 10 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.137 0.236 18399 3490 1 10 . 1 1 54 54 GLY H H 48 8.358 8.358 8.639 -0.281 18399 3491 1 10 . 1 1 55 55 LYS N N 49 121.595 121.595 120.948 0.647 18399 3492 1 10 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.669 -0.052 18399 3493 1 10 . 1 1 55 55 LYS CA C 49 54.340 54.340 55.075 -0.736 18399 3494 1 10 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.781 -0.580 18399 3495 1 10 . 1 1 55 55 LYS H H 49 7.819 7.819 7.979 -0.160 18399 3496 1 10 . 1 1 56 56 GLN N N 50 122.484 122.484 119.094 3.390 18399 3497 1 10 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.666 -0.081 18399 3498 1 10 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.751 1.027 18399 3499 1 10 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.772 -2.071 18399 3500 1 10 . 1 1 56 56 GLN H H 50 8.757 8.757 8.366 0.391 18399 3501 1 10 . 1 1 57 57 LEU N N 51 125.130 125.130 121.114 4.016 18399 3502 1 10 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.075 0.225 18399 3503 1 10 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.411 -1.272 18399 3504 1 10 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.370 0.855 18399 3505 1 10 . 1 1 57 57 LEU H H 51 8.442 8.442 8.735 -0.293 18399 3506 1 10 . 1 1 58 58 GLU N N 52 122.551 122.551 120.516 2.035 18399 3507 1 10 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.487 -0.028 18399 3508 1 10 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.252 -0.142 18399 3509 1 10 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.239 0.807 18399 3510 1 10 . 1 1 58 58 GLU H H 52 8.125 8.125 8.534 -0.409 18399 3511 1 10 . 1 1 59 59 ASP N N 53 122.235 122.235 121.346 0.889 18399 3512 1 10 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.327 -0.182 18399 3513 1 10 . 1 1 59 59 ASP CA C 53 57.699 57.699 58.012 -0.313 18399 3514 1 10 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.913 0.098 18399 3515 1 10 . 1 1 59 59 ASP H H 53 8.346 8.346 8.593 -0.247 18399 3516 1 10 . 1 1 60 60 GLU N N 54 113.128 113.128 116.689 -3.561 18399 3517 1 10 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.136 0.179 18399 3518 1 10 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.212 -0.876 18399 3519 1 10 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.426 -0.384 18399 3520 1 10 . 1 1 60 60 GLU H H 54 8.756 8.756 8.579 0.177 18399 3521 1 10 . 1 1 61 61 LYS N N 55 119.869 119.869 119.373 0.496 18399 3522 1 10 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.403 -0.152 18399 3523 1 10 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.592 1.365 18399 3524 1 10 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.544 1.400 18399 3525 1 10 . 1 1 61 61 LYS H H 55 7.677 7.677 7.721 -0.044 18399 3526 1 10 . 1 1 62 62 ARG N N 56 117.724 117.724 120.221 -2.497 18399 3527 1 10 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.173 0.551 18399 3528 1 10 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.725 2.395 18399 3529 1 10 . 1 1 62 62 ARG H H 56 8.797 8.797 7.671 1.126 18399 3530 1 10 . 1 1 63 63 LEU N N 57 123.223 123.223 121.741 1.482 18399 3531 1 10 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.218 -0.180 18399 3532 1 10 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.389 2.035 18399 3533 1 10 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.711 -1.313 18399 3534 1 10 . 1 1 63 63 LEU H H 57 8.728 8.728 8.418 0.310 18399 3535 1 10 . 1 1 64 64 LYS N N 58 114.073 114.073 118.022 -3.949 18399 3536 1 10 . 1 1 64 64 LYS HA H 58 4.409 4.409 4.025 0.384 18399 3537 1 10 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.092 -1.258 18399 3538 1 10 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.534 -0.410 18399 3539 1 10 . 1 1 64 64 LYS H H 58 8.681 8.681 8.338 0.343 18399 3540 1 10 . 1 1 65 65 ASP N N 59 120.640 120.640 118.666 1.974 18399 3541 1 10 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.553 -0.134 18399 3542 1 10 . 1 1 65 65 ASP CA C 59 56.506 56.506 56.086 0.420 18399 3543 1 10 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.979 -0.931 18399 3544 1 10 . 1 1 65 65 ASP H H 59 7.862 7.862 8.066 -0.204 18399 3545 1 10 . 1 1 66 66 TYR N N 60 117.775 117.775 121.050 -3.275 18399 3546 1 10 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.300 0.316 18399 3547 1 10 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.504 -2.354 18399 3548 1 10 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.965 0.364 18399 3549 1 10 . 1 1 66 66 TYR H H 60 7.545 7.545 8.069 -0.524 18399 3550 1 10 . 1 1 67 67 GLN N N 61 117.450 117.450 116.443 1.007 18399 3551 1 10 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.038 0.145 18399 3552 1 10 . 1 1 67 67 GLN CA C 61 56.617 56.617 56.988 -0.371 18399 3553 1 10 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.482 -1.904 18399 3554 1 10 . 1 1 67 67 GLN H H 61 8.155 8.155 7.824 0.331 18399 3555 1 10 . 1 1 68 68 MET N N 62 120.193 120.193 117.722 2.471 18399 3556 1 10 . 1 1 68 68 MET HA H 62 4.470 4.470 4.400 0.070 18399 3557 1 10 . 1 1 68 68 MET CA C 62 55.767 55.767 56.011 -0.244 18399 3558 1 10 . 1 1 68 68 MET CB C 62 33.105 33.105 32.710 0.395 18399 3559 1 10 . 1 1 68 68 MET H H 62 7.997 7.997 7.378 0.619 18399 3560 1 10 . 1 1 69 69 SER N N 63 116.722 116.722 112.122 4.600 18399 3561 1 10 . 1 1 69 69 SER HA H 63 4.530 4.530 4.200 0.330 18399 3562 1 10 . 1 1 69 69 SER CA C 63 57.654 57.654 59.481 -1.827 18399 3563 1 10 . 1 1 69 69 SER CB C 63 64.803 64.803 62.391 2.412 18399 3564 1 10 . 1 1 69 69 SER H H 63 8.073 8.073 8.687 -0.614 18399 3565 1 10 . 1 1 70 70 ALA N N 64 123.286 123.286 120.392 2.894 18399 3566 1 10 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.452 -0.196 18399 3567 1 10 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.022 1.544 18399 3568 1 10 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.497 -1.255 18399 3569 1 10 . 1 1 70 70 ALA H H 64 8.492 8.492 8.031 0.461 18399 3570 1 10 . 1 1 71 71 GLY N N 65 110.294 110.294 107.661 2.633 18399 3571 1 10 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.422 0.704 18399 3572 1 10 . 1 1 71 71 GLY H H 65 8.907 8.907 8.128 0.779 18399 3573 1 10 . 1 1 72 72 ALA N N 66 123.229 123.229 128.738 -5.509 18399 3574 1 10 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.162 0.126 18399 3575 1 10 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.270 0.606 18399 3576 1 10 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.435 0.391 18399 3577 1 10 . 1 1 72 72 ALA H H 66 7.572 7.572 8.633 -1.061 18399 3578 1 10 . 1 1 73 73 THR N N 67 116.161 116.161 115.336 0.825 18399 3579 1 10 . 1 1 73 73 THR HA H 67 5.060 5.060 4.388 0.672 18399 3580 1 10 . 1 1 73 73 THR CA C 67 61.493 61.493 59.986 1.506 18399 3581 1 10 . 1 1 73 73 THR CB C 67 71.022 71.022 71.013 0.009 18399 3582 1 10 . 1 1 73 73 THR H H 67 8.253 8.253 8.609 -0.356 18399 3583 1 10 . 1 1 74 74 PHE N N 68 124.518 124.518 126.022 -1.504 18399 3584 1 10 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.191 0.178 18399 3585 1 10 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.016 -2.003 18399 3586 1 10 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.434 -0.541 18399 3587 1 10 . 1 1 74 74 PHE H H 68 8.989 8.989 8.347 0.642 18399 3588 1 10 . 1 1 75 75 HIS N N 69 120.835 120.835 126.572 -5.737 18399 3589 1 10 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.711 0.435 18399 3590 1 10 . 1 1 75 75 HIS CA C 69 56.131 56.131 54.556 1.575 18399 3591 1 10 . 1 1 75 75 HIS CB C 69 31.584 31.584 32.083 -0.499 18399 3592 1 10 . 1 1 75 75 HIS H H 69 9.300 9.300 8.826 0.474 18399 3593 1 10 . 1 1 76 76 MET N N 70 122.731 122.731 122.435 0.296 18399 3594 1 10 . 1 1 76 76 MET HA H 70 5.199 5.199 4.570 0.629 18399 3595 1 10 . 1 1 76 76 MET CA C 70 54.683 54.683 54.479 0.204 18399 3596 1 10 . 1 1 76 76 MET CB C 70 35.426 35.426 35.764 -0.338 18399 3597 1 10 . 1 1 76 76 MET H H 70 8.563 8.563 8.032 0.531 18399 3598 1 10 . 1 1 77 77 VAL N N 71 128.801 128.801 125.387 3.414 18399 3599 1 10 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.405 -0.128 18399 3600 1 10 . 1 1 77 77 VAL CA C 71 61.343 61.343 59.974 1.369 18399 3601 1 10 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.806 0.850 18399 3602 1 10 . 1 1 77 77 VAL H H 71 9.118 9.118 8.495 0.623 18399 3603 1 10 . 1 1 78 78 VAL N N 72 125.528 125.528 129.409 -3.881 18399 3604 1 10 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.192 0.426 18399 3605 1 10 . 1 1 78 78 VAL CA C 72 61.485 61.485 61.885 -0.400 18399 3606 1 10 . 1 1 78 78 VAL CB C 72 32.311 32.311 31.066 1.245 18399 3607 1 10 . 1 1 78 78 VAL H H 72 8.544 8.544 8.457 0.087 18399 3608 1 10 . 1 1 79 79 ALA N N 73 131.664 131.664 130.782 0.882 18399 3609 1 10 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.712 -0.389 18399 3610 1 10 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.686 0.060 18399 3611 1 10 . 1 1 79 79 ALA CB C 73 19.445 19.445 18.757 0.688 18399 3612 1 10 . 1 1 79 79 ALA H H 73 8.957 8.957 8.705 0.252 18399 3613 1 10 . 1 1 80 80 LEU N N 74 120.722 120.722 122.717 -1.995 18399 3614 1 10 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.464 -0.185 18399 3615 1 10 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.319 -0.128 18399 3616 1 10 . 1 1 80 80 LEU CB C 74 42.356 42.356 42.594 -0.238 18399 3617 1 10 . 1 1 80 80 LEU H H 74 8.193 8.193 8.637 -0.444 18399 3618 1 10 . 1 1 81 81 ARG N N 75 121.022 121.022 120.606 0.416 18399 3619 1 10 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.326 -0.032 18399 3620 1 10 . 1 1 81 81 ARG CA C 75 55.604 55.604 55.886 -0.282 18399 3621 1 10 . 1 1 81 81 ARG CB C 75 30.856 30.856 30.835 0.021 18399 3622 1 10 . 1 1 81 81 ARG H H 75 8.207 8.207 8.131 0.076 18399 3623 1 10 . 1 1 82 82 ALA N N 76 125.815 125.815 122.417 3.398 18399 3624 1 10 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.356 -0.078 18399 3625 1 10 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.608 0.870 18399 3626 1 10 . 1 1 82 82 ALA CB C 76 18.813 18.813 19.819 -1.006 18399 3627 1 10 . 1 1 82 82 ALA H H 76 8.471 8.471 8.227 0.244 18399 3628 1 10 . 1 1 83 83 GLY N N 77 109.110 109.110 107.812 1.298 18399 3629 1 10 . 1 1 83 83 GLY CA C 77 45.336 45.336 44.409 0.927 18399 3630 1 10 . 1 1 83 83 GLY H H 77 8.506 8.506 8.150 0.356 18399 3631 1 11 . 1 1 8 8 LEU N N 2 125.142 125.142 121.101 4.041 18399 3632 1 11 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.156 -0.682 18399 3633 1 11 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.816 1.459 18399 3634 1 11 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.521 -1.619 18399 3635 1 11 . 1 1 8 8 LEU H H 2 8.251 8.251 7.714 0.537 18399 3636 1 11 . 1 1 9 9 LEU N N 3 126.326 126.326 121.227 5.099 18399 3637 1 11 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.936 -0.140 18399 3638 1 11 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.256 -0.213 18399 3639 1 11 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.108 -1.600 18399 3640 1 11 . 1 1 9 9 LEU H H 3 8.307 8.307 8.262 0.045 18399 3641 1 11 . 1 1 10 10 LYS N N 4 121.349 121.349 123.827 -2.478 18399 3642 1 11 . 1 1 10 10 LYS HA H 4 5.080 5.080 4.931 0.149 18399 3643 1 11 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.582 0.050 18399 3644 1 11 . 1 1 10 10 LYS CB C 4 34.425 34.425 34.117 0.308 18399 3645 1 11 . 1 1 10 10 LYS H H 4 8.428 8.428 8.502 -0.074 18399 3646 1 11 . 1 1 11 11 VAL N N 5 122.408 122.408 123.157 -0.749 18399 3647 1 11 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.847 -0.159 18399 3648 1 11 . 1 1 11 11 VAL CA C 5 60.326 60.326 58.958 1.368 18399 3649 1 11 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.237 1.593 18399 3650 1 11 . 1 1 11 11 VAL H H 5 9.088 9.088 8.488 0.600 18399 3651 1 11 . 1 1 12 12 LYS N N 6 127.778 127.778 125.598 2.180 18399 3652 1 11 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.217 0.135 18399 3653 1 11 . 1 1 12 12 LYS CA C 6 54.675 54.675 54.182 0.493 18399 3654 1 11 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.103 -0.919 18399 3655 1 11 . 1 1 12 12 LYS H H 6 9.029 9.029 8.625 0.404 18399 3656 1 11 . 1 1 13 13 THR N N 7 116.723 116.723 117.937 -1.214 18399 3657 1 11 . 1 1 13 13 THR HA H 7 4.860 4.860 4.752 0.108 18399 3658 1 11 . 1 1 13 13 THR CA C 7 60.392 60.392 61.124 -0.732 18399 3659 1 11 . 1 1 13 13 THR CB C 7 71.189 71.189 70.405 0.784 18399 3660 1 11 . 1 1 13 13 THR H H 7 8.790 8.790 8.324 0.466 18399 3661 1 11 . 1 1 14 14 VAL N N 8 119.340 119.340 120.622 -1.282 18399 3662 1 11 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.041 0.062 18399 3663 1 11 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.013 0.699 18399 3664 1 11 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.734 -0.574 18399 3665 1 11 . 1 1 14 14 VAL H H 8 8.872 8.872 8.423 0.449 18399 3666 1 11 . 1 1 15 15 SER N N 9 114.630 114.630 113.663 0.967 18399 3667 1 11 . 1 1 15 15 SER HA H 9 4.513 4.513 4.559 -0.046 18399 3668 1 11 . 1 1 15 15 SER CA C 9 57.913 57.913 58.382 -0.469 18399 3669 1 11 . 1 1 15 15 SER CB C 9 63.243 63.243 63.165 0.078 18399 3670 1 11 . 1 1 15 15 SER H H 9 7.859 7.859 8.107 -0.248 18399 3671 1 11 . 1 1 16 16 ASN N N 10 115.509 115.509 118.029 -2.520 18399 3672 1 11 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.479 -0.287 18399 3673 1 11 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.633 0.328 18399 3674 1 11 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.213 -0.918 18399 3675 1 11 . 1 1 16 16 ASN H H 10 8.229 8.229 7.957 0.272 18399 3676 1 11 . 1 1 17 17 LYS N N 11 120.345 120.345 119.730 0.615 18399 3677 1 11 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.471 -0.216 18399 3678 1 11 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.096 1.251 18399 3679 1 11 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.961 -0.025 18399 3680 1 11 . 1 1 17 17 LYS H H 11 7.315 7.315 7.586 -0.271 18399 3681 1 11 . 1 1 18 18 VAL N N 12 125.270 125.270 124.869 0.401 18399 3682 1 11 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.673 -0.036 18399 3683 1 11 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.485 0.264 18399 3684 1 11 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.612 -0.420 18399 3685 1 11 . 1 1 18 18 VAL H H 12 8.576 8.576 8.278 0.298 18399 3686 1 11 . 1 1 19 19 ILE N N 13 130.928 130.928 127.909 3.019 18399 3687 1 11 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.433 -0.280 18399 3688 1 11 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.483 0.962 18399 3689 1 11 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.809 0.385 18399 3690 1 11 . 1 1 19 19 ILE H H 13 9.486 9.486 8.981 0.505 18399 3691 1 11 . 1 1 20 20 GLN N N 14 124.762 124.762 126.975 -2.213 18399 3692 1 11 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.865 0.197 18399 3693 1 11 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.864 -0.069 18399 3694 1 11 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.438 0.163 18399 3695 1 11 . 1 1 20 20 GLN H H 14 8.803 8.803 8.480 0.323 18399 3696 1 11 . 1 1 21 21 ILE N N 15 126.010 126.010 121.172 4.838 18399 3697 1 11 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.618 -0.105 18399 3698 1 11 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.698 -0.059 18399 3699 1 11 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.667 -1.496 18399 3700 1 11 . 1 1 21 21 ILE H H 15 9.076 9.076 8.144 0.932 18399 3701 1 11 . 1 1 22 22 THR N N 16 118.074 118.074 117.786 0.288 18399 3702 1 11 . 1 1 22 22 THR HA H 16 4.904 4.904 4.567 0.337 18399 3703 1 11 . 1 1 22 22 THR CA C 16 61.462 61.462 61.490 -0.028 18399 3704 1 11 . 1 1 22 22 THR CB C 16 69.657 69.657 68.449 1.208 18399 3705 1 11 . 1 1 22 22 THR H H 16 9.047 9.047 8.407 0.640 18399 3706 1 11 . 1 1 23 23 SER N N 17 113.130 113.130 120.110 -6.980 18399 3707 1 11 . 1 1 23 23 SER HA H 17 4.440 4.440 4.556 -0.116 18399 3708 1 11 . 1 1 23 23 SER CA C 17 58.002 58.002 58.774 -0.772 18399 3709 1 11 . 1 1 23 23 SER CB C 17 64.268 64.268 63.793 0.475 18399 3710 1 11 . 1 1 23 23 SER H H 17 7.330 7.330 7.996 -0.666 18399 3711 1 11 . 1 1 24 24 LEU N N 18 123.241 123.241 125.086 -1.845 18399 3712 1 11 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.738 0.001 18399 3713 1 11 . 1 1 24 24 LEU CA C 18 53.858 53.858 54.175 -0.317 18399 3714 1 11 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.501 -2.011 18399 3715 1 11 . 1 1 24 24 LEU H H 18 8.728 8.728 8.140 0.588 18399 3716 1 11 . 1 1 25 25 THR N N 19 111.915 111.915 114.348 -2.433 18399 3717 1 11 . 1 1 25 25 THR HA H 19 4.816 4.816 4.289 0.527 18399 3718 1 11 . 1 1 25 25 THR CA C 19 59.575 59.575 61.511 -1.935 18399 3719 1 11 . 1 1 25 25 THR CB C 19 72.043 72.043 70.365 1.677 18399 3720 1 11 . 1 1 25 25 THR H H 19 9.363 9.363 8.412 0.951 18399 3721 1 11 . 1 1 26 26 ASP N N 20 117.183 117.183 116.764 0.419 18399 3722 1 11 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.689 -0.356 18399 3723 1 11 . 1 1 26 26 ASP CA C 20 55.729 55.729 54.330 1.399 18399 3724 1 11 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.226 -1.844 18399 3725 1 11 . 1 1 26 26 ASP H H 20 8.785 8.785 8.448 0.337 18399 3726 1 11 . 1 1 27 27 ASP N N 21 116.327 116.327 119.352 -3.025 18399 3727 1 11 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.649 0.025 18399 3728 1 11 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.245 -1.475 18399 3729 1 11 . 1 1 27 27 ASP CB C 21 42.294 42.294 42.201 0.093 18399 3730 1 11 . 1 1 27 27 ASP H H 21 7.775 7.775 8.439 -0.664 18399 3731 1 11 . 1 1 28 28 ASN N N 22 117.269 117.269 114.184 3.085 18399 3732 1 11 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.832 0.060 18399 3733 1 11 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.255 1.555 18399 3734 1 11 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.958 0.143 18399 3735 1 11 . 1 1 28 28 ASN H H 22 7.829 7.829 8.560 -0.731 18399 3736 1 11 . 1 1 29 29 THR N N 23 108.639 108.639 114.151 -5.512 18399 3737 1 11 . 1 1 29 29 THR HA H 23 5.206 5.206 3.864 1.342 18399 3738 1 11 . 1 1 29 29 THR CA C 23 59.830 59.830 65.988 -6.158 18399 3739 1 11 . 1 1 29 29 THR CB C 23 72.396 72.396 67.647 4.749 18399 3740 1 11 . 1 1 29 29 THR H H 23 9.145 9.145 8.140 1.005 18399 3741 1 11 . 1 1 30 30 ILE N N 24 120.336 120.336 122.457 -2.121 18399 3742 1 11 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.858 -0.172 18399 3743 1 11 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.088 -3.509 18399 3744 1 11 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.774 -4.430 18399 3745 1 11 . 1 1 30 30 ILE H H 24 8.477 8.477 8.131 0.346 18399 3746 1 11 . 1 1 31 31 ALA N N 25 123.489 123.489 122.645 0.844 18399 3747 1 11 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.071 -0.200 18399 3748 1 11 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.316 0.640 18399 3749 1 11 . 1 1 31 31 ALA CB C 25 18.160 18.160 17.933 0.227 18399 3750 1 11 . 1 1 31 31 ALA H H 25 8.951 8.951 7.712 1.239 18399 3751 1 11 . 1 1 32 32 GLU N N 26 120.101 120.101 118.934 1.167 18399 3752 1 11 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.101 -0.086 18399 3753 1 11 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.171 0.180 18399 3754 1 11 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.253 -0.531 18399 3755 1 11 . 1 1 32 32 GLU H H 26 7.988 7.988 8.569 -0.581 18399 3756 1 11 . 1 1 33 33 LEU N N 27 124.025 124.025 120.234 3.791 18399 3757 1 11 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.022 0.011 18399 3758 1 11 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.728 0.934 18399 3759 1 11 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.178 -2.021 18399 3760 1 11 . 1 1 33 33 LEU H H 27 8.083 8.083 7.639 0.444 18399 3761 1 11 . 1 1 34 34 LYS N N 28 119.471 119.471 118.491 0.980 18399 3762 1 11 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.128 -0.329 18399 3763 1 11 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.600 1.910 18399 3764 1 11 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.665 0.183 18399 3765 1 11 . 1 1 34 34 LYS H H 28 8.746 8.746 8.625 0.121 18399 3766 1 11 . 1 1 35 35 GLY N N 29 106.034 106.034 107.899 -1.865 18399 3767 1 11 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.861 0.181 18399 3768 1 11 . 1 1 35 35 GLY H H 29 8.096 8.096 8.406 -0.310 18399 3769 1 11 . 1 1 36 36 LYS N N 30 121.196 121.196 122.073 -0.877 18399 3770 1 11 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.129 0.108 18399 3771 1 11 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.719 -1.377 18399 3772 1 11 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.371 -1.838 18399 3773 1 11 . 1 1 36 36 LYS H H 30 7.704 7.704 7.834 -0.130 18399 3774 1 11 . 1 1 37 37 LEU N N 31 121.657 121.657 120.730 0.927 18399 3775 1 11 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.009 0.286 18399 3776 1 11 . 1 1 37 37 LEU CA C 31 57.282 57.282 58.062 -0.780 18399 3777 1 11 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.095 0.097 18399 3778 1 11 . 1 1 37 37 LEU H H 31 7.948 7.948 7.933 0.015 18399 3779 1 11 . 1 1 38 38 GLU N N 32 123.295 123.295 118.476 4.819 18399 3780 1 11 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.978 0.377 18399 3781 1 11 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.828 0.476 18399 3782 1 11 . 1 1 38 38 GLU CB C 32 29.339 29.339 29.019 0.320 18399 3783 1 11 . 1 1 38 38 GLU H H 32 8.714 8.714 8.088 0.626 18399 3784 1 11 . 1 1 39 39 GLU N N 33 118.296 118.296 119.788 -1.492 18399 3785 1 11 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.095 -0.109 18399 3786 1 11 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.767 0.375 18399 3787 1 11 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.445 0.157 18399 3788 1 11 . 1 1 39 39 GLU H H 33 7.470 7.470 7.971 -0.501 18399 3789 1 11 . 1 1 40 40 SER N N 34 112.266 112.266 114.320 -2.054 18399 3790 1 11 . 1 1 40 40 SER CA C 34 61.150 61.150 60.988 0.162 18399 3791 1 11 . 1 1 40 40 SER CB C 34 63.578 63.578 63.233 0.345 18399 3792 1 11 . 1 1 40 40 SER H H 34 8.054 8.054 7.750 0.304 18399 3793 1 11 . 1 1 41 41 GLU N N 35 116.449 116.449 118.515 -2.066 18399 3794 1 11 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.370 -0.003 18399 3795 1 11 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.530 -1.474 18399 3796 1 11 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.347 0.197 18399 3797 1 11 . 1 1 41 41 GLU H H 35 8.908 8.908 7.772 1.136 18399 3798 1 11 . 1 1 42 42 GLY N N 36 108.168 108.168 108.790 -0.622 18399 3799 1 11 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.089 0.335 18399 3800 1 11 . 1 1 42 42 GLY H H 36 7.930 7.930 8.024 -0.094 18399 3801 1 11 . 1 1 43 43 ILE N N 37 120.326 120.326 116.878 3.448 18399 3802 1 11 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.556 -0.827 18399 3803 1 11 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.337 1.882 18399 3804 1 11 . 1 1 43 43 ILE H H 37 6.446 6.446 7.263 -0.817 18399 3805 1 11 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.615 -0.439 18399 3806 1 11 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.563 0.455 18399 3807 1 11 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.701 -0.542 18399 3808 1 11 . 1 1 45 45 GLY N N 39 111.710 111.710 110.363 1.347 18399 3809 1 11 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.814 0.792 18399 3810 1 11 . 1 1 45 45 GLY H H 39 9.228 9.228 8.775 0.453 18399 3811 1 11 . 1 1 46 46 ASN N N 40 114.967 114.967 114.906 0.061 18399 3812 1 11 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.653 -0.141 18399 3813 1 11 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.235 1.238 18399 3814 1 11 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.280 -1.770 18399 3815 1 11 . 1 1 46 46 ASN H H 40 8.325 8.325 7.960 0.365 18399 3816 1 11 . 1 1 47 47 MET N N 41 118.446 118.446 119.395 -0.949 18399 3817 1 11 . 1 1 47 47 MET HA H 41 4.557 4.557 4.477 0.080 18399 3818 1 11 . 1 1 47 47 MET CA C 41 54.886 54.886 56.554 -1.668 18399 3819 1 11 . 1 1 47 47 MET CB C 41 32.632 32.632 33.759 -1.127 18399 3820 1 11 . 1 1 47 47 MET H H 41 8.247 8.247 7.880 0.367 18399 3821 1 11 . 1 1 48 48 ILE N N 42 119.569 119.569 117.163 2.406 18399 3822 1 11 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.802 0.294 18399 3823 1 11 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.751 0.998 18399 3824 1 11 . 1 1 48 48 ILE CB C 42 39.436 39.436 34.927 4.509 18399 3825 1 11 . 1 1 48 48 ILE H H 42 7.422 7.422 7.871 -0.449 18399 3826 1 11 . 1 1 49 49 ARG N N 43 127.179 127.179 121.443 5.736 18399 3827 1 11 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.567 0.013 18399 3828 1 11 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.441 -0.479 18399 3829 1 11 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.581 -1.552 18399 3830 1 11 . 1 1 49 49 ARG H H 43 8.967 8.967 8.005 0.962 18399 3831 1 11 . 1 1 50 50 LEU N N 44 122.639 122.639 121.619 1.020 18399 3832 1 11 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.081 0.326 18399 3833 1 11 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.270 -0.575 18399 3834 1 11 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.564 3.091 18399 3835 1 11 . 1 1 50 50 LEU H H 44 8.603 8.603 8.442 0.161 18399 3836 1 11 . 1 1 51 51 VAL N N 45 121.931 121.931 118.588 3.343 18399 3837 1 11 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.852 -0.144 18399 3838 1 11 . 1 1 51 51 VAL CA C 45 60.583 60.583 60.394 0.189 18399 3839 1 11 . 1 1 51 51 VAL CB C 45 34.601 34.601 32.514 2.087 18399 3840 1 11 . 1 1 51 51 VAL H H 45 8.960 8.960 8.601 0.359 18399 3841 1 11 . 1 1 52 52 TYR N N 46 126.384 126.384 128.254 -1.870 18399 3842 1 11 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.781 0.308 18399 3843 1 11 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.135 -0.060 18399 3844 1 11 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.828 1.841 18399 3845 1 11 . 1 1 52 52 TYR H H 46 8.879 8.879 8.863 0.016 18399 3846 1 11 . 1 1 53 53 GLN N N 47 127.041 127.041 128.184 -1.143 18399 3847 1 11 . 1 1 53 53 GLN HA H 47 3.656 3.656 4.009 -0.353 18399 3848 1 11 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.691 -0.417 18399 3849 1 11 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.508 -2.067 18399 3850 1 11 . 1 1 53 53 GLN H H 47 9.323 9.323 9.467 -0.144 18399 3851 1 11 . 1 1 54 54 GLY N N 48 102.991 102.991 102.356 0.635 18399 3852 1 11 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.212 0.161 18399 3853 1 11 . 1 1 54 54 GLY H H 48 8.358 8.358 8.609 -0.251 18399 3854 1 11 . 1 1 55 55 LYS N N 49 121.595 121.595 120.976 0.619 18399 3855 1 11 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.645 -0.028 18399 3856 1 11 . 1 1 55 55 LYS CA C 49 54.340 54.340 55.232 -0.892 18399 3857 1 11 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.634 -0.433 18399 3858 1 11 . 1 1 55 55 LYS H H 49 7.819 7.819 7.987 -0.168 18399 3859 1 11 . 1 1 56 56 GLN N N 50 122.484 122.484 119.448 3.036 18399 3860 1 11 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.767 -0.182 18399 3861 1 11 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.661 1.117 18399 3862 1 11 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.846 -2.145 18399 3863 1 11 . 1 1 56 56 GLN H H 50 8.757 8.757 8.465 0.292 18399 3864 1 11 . 1 1 57 57 LEU N N 51 125.130 125.130 120.105 5.025 18399 3865 1 11 . 1 1 57 57 LEU HA H 51 4.300 4.300 3.980 0.320 18399 3866 1 11 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.146 -1.007 18399 3867 1 11 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.339 0.886 18399 3868 1 11 . 1 1 57 57 LEU H H 51 8.442 8.442 8.845 -0.403 18399 3869 1 11 . 1 1 58 58 GLU N N 52 122.551 122.551 120.727 1.824 18399 3870 1 11 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.466 -0.007 18399 3871 1 11 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.810 -0.700 18399 3872 1 11 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.304 0.742 18399 3873 1 11 . 1 1 58 58 GLU H H 52 8.125 8.125 8.725 -0.600 18399 3874 1 11 . 1 1 59 59 ASP N N 53 122.235 122.235 122.084 0.151 18399 3875 1 11 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.358 -0.213 18399 3876 1 11 . 1 1 59 59 ASP CA C 53 57.699 57.699 57.910 -0.211 18399 3877 1 11 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.773 0.238 18399 3878 1 11 . 1 1 59 59 ASP H H 53 8.346 8.346 8.753 -0.407 18399 3879 1 11 . 1 1 60 60 GLU N N 54 113.128 113.128 117.338 -4.210 18399 3880 1 11 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.110 0.205 18399 3881 1 11 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.195 -0.859 18399 3882 1 11 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.589 -0.547 18399 3883 1 11 . 1 1 60 60 GLU H H 54 8.756 8.756 8.494 0.262 18399 3884 1 11 . 1 1 61 61 LYS N N 55 119.869 119.869 119.190 0.679 18399 3885 1 11 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.383 -0.132 18399 3886 1 11 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.684 1.273 18399 3887 1 11 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.364 1.580 18399 3888 1 11 . 1 1 61 61 LYS H H 55 7.677 7.677 7.746 -0.069 18399 3889 1 11 . 1 1 62 62 ARG N N 56 117.724 117.724 120.187 -2.463 18399 3890 1 11 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.174 0.550 18399 3891 1 11 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.735 2.385 18399 3892 1 11 . 1 1 62 62 ARG H H 56 8.797 8.797 7.668 1.129 18399 3893 1 11 . 1 1 63 63 LEU N N 57 123.223 123.223 121.769 1.454 18399 3894 1 11 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.220 -0.182 18399 3895 1 11 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.420 2.004 18399 3896 1 11 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.710 -1.312 18399 3897 1 11 . 1 1 63 63 LEU H H 57 8.728 8.728 8.422 0.306 18399 3898 1 11 . 1 1 64 64 LYS N N 58 114.073 114.073 118.494 -4.421 18399 3899 1 11 . 1 1 64 64 LYS HA H 58 4.409 4.409 3.992 0.417 18399 3900 1 11 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.117 -1.284 18399 3901 1 11 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.590 -0.466 18399 3902 1 11 . 1 1 64 64 LYS H H 58 8.681 8.681 8.263 0.418 18399 3903 1 11 . 1 1 65 65 ASP N N 59 120.640 120.640 118.896 1.744 18399 3904 1 11 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.526 -0.107 18399 3905 1 11 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.771 0.735 18399 3906 1 11 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.908 -0.860 18399 3907 1 11 . 1 1 65 65 ASP H H 59 7.862 7.862 8.113 -0.251 18399 3908 1 11 . 1 1 66 66 TYR N N 60 117.775 117.775 119.547 -1.772 18399 3909 1 11 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.264 0.352 18399 3910 1 11 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.353 -2.204 18399 3911 1 11 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.889 0.440 18399 3912 1 11 . 1 1 66 66 TYR H H 60 7.545 7.545 7.986 -0.441 18399 3913 1 11 . 1 1 67 67 GLN N N 61 117.450 117.450 116.490 0.960 18399 3914 1 11 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.027 0.156 18399 3915 1 11 . 1 1 67 67 GLN CA C 61 56.617 56.617 56.772 -0.155 18399 3916 1 11 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.253 -1.675 18399 3917 1 11 . 1 1 67 67 GLN H H 61 8.155 8.155 7.846 0.309 18399 3918 1 11 . 1 1 68 68 MET N N 62 120.193 120.193 117.917 2.276 18399 3919 1 11 . 1 1 68 68 MET HA H 62 4.470 4.470 4.406 0.064 18399 3920 1 11 . 1 1 68 68 MET CA C 62 55.767 55.767 55.756 0.011 18399 3921 1 11 . 1 1 68 68 MET CB C 62 33.105 33.105 32.519 0.586 18399 3922 1 11 . 1 1 68 68 MET H H 62 7.997 7.997 7.390 0.607 18399 3923 1 11 . 1 1 69 69 SER N N 63 116.722 116.722 112.260 4.462 18399 3924 1 11 . 1 1 69 69 SER HA H 63 4.530 4.530 4.218 0.312 18399 3925 1 11 . 1 1 69 69 SER CA C 63 57.654 57.654 59.536 -1.882 18399 3926 1 11 . 1 1 69 69 SER CB C 63 64.803 64.803 62.336 2.467 18399 3927 1 11 . 1 1 69 69 SER H H 63 8.073 8.073 8.656 -0.583 18399 3928 1 11 . 1 1 70 70 ALA N N 64 123.286 123.286 120.572 2.714 18399 3929 1 11 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.466 -0.210 18399 3930 1 11 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.008 1.558 18399 3931 1 11 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.304 -1.062 18399 3932 1 11 . 1 1 70 70 ALA H H 64 8.492 8.492 8.048 0.444 18399 3933 1 11 . 1 1 71 71 GLY N N 65 110.294 110.294 108.134 2.160 18399 3934 1 11 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.711 0.416 18399 3935 1 11 . 1 1 71 71 GLY H H 65 8.907 8.907 8.019 0.888 18399 3936 1 11 . 1 1 72 72 ALA N N 66 123.229 123.229 128.333 -5.104 18399 3937 1 11 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.220 0.068 18399 3938 1 11 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.205 0.672 18399 3939 1 11 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.429 0.397 18399 3940 1 11 . 1 1 72 72 ALA H H 66 7.572 7.572 8.630 -1.058 18399 3941 1 11 . 1 1 73 73 THR N N 67 116.161 116.161 115.296 0.865 18399 3942 1 11 . 1 1 73 73 THR HA H 67 5.060 5.060 4.391 0.669 18399 3943 1 11 . 1 1 73 73 THR CA C 67 61.493 61.493 60.158 1.335 18399 3944 1 11 . 1 1 73 73 THR CB C 67 71.022 71.022 71.105 -0.083 18399 3945 1 11 . 1 1 73 73 THR H H 67 8.253 8.253 8.672 -0.419 18399 3946 1 11 . 1 1 74 74 PHE N N 68 124.518 124.518 126.411 -1.893 18399 3947 1 11 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.169 0.200 18399 3948 1 11 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.071 -2.058 18399 3949 1 11 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.728 -0.835 18399 3950 1 11 . 1 1 74 74 PHE H H 68 8.989 8.989 8.344 0.645 18399 3951 1 11 . 1 1 75 75 HIS N N 69 120.835 120.835 127.095 -6.260 18399 3952 1 11 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.813 0.333 18399 3953 1 11 . 1 1 75 75 HIS CA C 69 56.131 56.131 55.013 1.118 18399 3954 1 11 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.225 0.359 18399 3955 1 11 . 1 1 75 75 HIS H H 69 9.300 9.300 8.697 0.603 18399 3956 1 11 . 1 1 76 76 MET N N 70 122.731 122.731 122.363 0.368 18399 3957 1 11 . 1 1 76 76 MET HA H 70 5.199 5.199 4.656 0.543 18399 3958 1 11 . 1 1 76 76 MET CA C 70 54.683 54.683 54.835 -0.152 18399 3959 1 11 . 1 1 76 76 MET CB C 70 35.426 35.426 35.623 -0.197 18399 3960 1 11 . 1 1 76 76 MET H H 70 8.563 8.563 8.346 0.217 18399 3961 1 11 . 1 1 77 77 VAL N N 71 128.801 128.801 127.108 1.693 18399 3962 1 11 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.285 -0.008 18399 3963 1 11 . 1 1 77 77 VAL CA C 71 61.343 61.343 61.336 0.007 18399 3964 1 11 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.603 1.053 18399 3965 1 11 . 1 1 77 77 VAL H H 71 9.118 9.118 8.405 0.713 18399 3966 1 11 . 1 1 78 78 VAL N N 72 125.528 125.528 128.280 -2.752 18399 3967 1 11 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.304 0.314 18399 3968 1 11 . 1 1 78 78 VAL CA C 72 61.485 61.485 60.859 0.626 18399 3969 1 11 . 1 1 78 78 VAL CB C 72 32.311 32.311 32.202 0.109 18399 3970 1 11 . 1 1 78 78 VAL H H 72 8.544 8.544 8.282 0.262 18399 3971 1 11 . 1 1 79 79 ALA N N 73 131.664 131.664 131.916 -0.252 18399 3972 1 11 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.538 -0.215 18399 3973 1 11 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.345 0.401 18399 3974 1 11 . 1 1 79 79 ALA CB C 73 19.445 19.445 18.762 0.683 18399 3975 1 11 . 1 1 79 79 ALA H H 73 8.957 8.957 8.349 0.608 18399 3976 1 11 . 1 1 80 80 LEU N N 74 120.722 120.722 119.120 1.602 18399 3977 1 11 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.087 0.192 18399 3978 1 11 . 1 1 80 80 LEU CA C 74 55.191 55.191 56.504 -1.313 18399 3979 1 11 . 1 1 80 80 LEU CB C 74 42.356 42.356 41.036 1.320 18399 3980 1 11 . 1 1 80 80 LEU H H 74 8.193 8.193 8.608 -0.415 18399 3981 1 11 . 1 1 81 81 ARG N N 75 121.022 121.022 122.553 -1.531 18399 3982 1 11 . 1 1 81 81 ARG HA H 75 4.294 4.294 5.082 -0.788 18399 3983 1 11 . 1 1 81 81 ARG CA C 75 55.604 55.604 56.256 -0.652 18399 3984 1 11 . 1 1 81 81 ARG CB C 75 30.856 30.856 31.579 -0.723 18399 3985 1 11 . 1 1 81 81 ARG H H 75 8.207 8.207 8.115 0.092 18399 3986 1 11 . 1 1 82 82 ALA N N 76 125.815 125.815 121.928 3.887 18399 3987 1 11 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.593 -0.315 18399 3988 1 11 . 1 1 82 82 ALA CA C 76 52.478 52.478 53.026 -0.548 18399 3989 1 11 . 1 1 82 82 ALA CB C 76 18.813 18.813 19.935 -1.122 18399 3990 1 11 . 1 1 82 82 ALA H H 76 8.471 8.471 8.693 -0.222 18399 3991 1 11 . 1 1 83 83 GLY N N 77 109.110 109.110 107.760 1.350 18399 3992 1 11 . 1 1 83 83 GLY CA C 77 45.336 45.336 44.904 0.432 18399 3993 1 11 . 1 1 83 83 GLY H H 77 8.506 8.506 8.477 0.029 18399 3994 1 12 . 1 1 8 8 LEU N N 2 125.142 125.142 121.345 3.797 18399 3995 1 12 . 1 1 8 8 LEU HA H 2 4.474 4.474 4.969 -0.495 18399 3996 1 12 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.918 1.357 18399 3997 1 12 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.362 -1.460 18399 3998 1 12 . 1 1 8 8 LEU H H 2 8.251 8.251 7.724 0.527 18399 3999 1 12 . 1 1 9 9 LEU N N 3 126.326 126.326 121.971 4.355 18399 4000 1 12 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.934 -0.138 18399 4001 1 12 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.320 -0.277 18399 4002 1 12 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.063 -1.555 18399 4003 1 12 . 1 1 9 9 LEU H H 3 8.307 8.307 7.945 0.362 18399 4004 1 12 . 1 1 10 10 LYS N N 4 121.349 121.349 123.703 -2.354 18399 4005 1 12 . 1 1 10 10 LYS HA H 4 5.080 5.080 5.116 -0.036 18399 4006 1 12 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.602 0.030 18399 4007 1 12 . 1 1 10 10 LYS CB C 4 34.425 34.425 34.209 0.216 18399 4008 1 12 . 1 1 10 10 LYS H H 4 8.428 8.428 8.441 -0.013 18399 4009 1 12 . 1 1 11 11 VAL N N 5 122.408 122.408 122.976 -0.568 18399 4010 1 12 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.785 -0.097 18399 4011 1 12 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.438 0.888 18399 4012 1 12 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.726 1.104 18399 4013 1 12 . 1 1 11 11 VAL H H 5 9.088 9.088 8.424 0.664 18399 4014 1 12 . 1 1 12 12 LYS N N 6 127.778 127.778 124.962 2.816 18399 4015 1 12 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.000 0.352 18399 4016 1 12 . 1 1 12 12 LYS CA C 6 54.675 54.675 53.834 0.841 18399 4017 1 12 . 1 1 12 12 LYS CB C 6 34.184 34.184 34.117 0.067 18399 4018 1 12 . 1 1 12 12 LYS H H 6 9.029 9.029 8.428 0.601 18399 4019 1 12 . 1 1 13 13 THR N N 7 116.723 116.723 118.897 -2.174 18399 4020 1 12 . 1 1 13 13 THR HA H 7 4.860 4.860 4.738 0.122 18399 4021 1 12 . 1 1 13 13 THR CA C 7 60.392 60.392 60.847 -0.455 18399 4022 1 12 . 1 1 13 13 THR CB C 7 71.189 71.189 70.293 0.896 18399 4023 1 12 . 1 1 13 13 THR H H 7 8.790 8.790 8.158 0.632 18399 4024 1 12 . 1 1 14 14 VAL N N 8 119.340 119.340 122.264 -2.924 18399 4025 1 12 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.142 -0.039 18399 4026 1 12 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.099 0.613 18399 4027 1 12 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.613 -0.453 18399 4028 1 12 . 1 1 14 14 VAL H H 8 8.872 8.872 8.876 -0.004 18399 4029 1 12 . 1 1 15 15 SER N N 9 114.630 114.630 114.710 -0.080 18399 4030 1 12 . 1 1 15 15 SER HA H 9 4.513 4.513 4.475 0.038 18399 4031 1 12 . 1 1 15 15 SER CA C 9 57.913 57.913 58.357 -0.444 18399 4032 1 12 . 1 1 15 15 SER CB C 9 63.243 63.243 62.946 0.297 18399 4033 1 12 . 1 1 15 15 SER H H 9 7.859 7.859 8.010 -0.151 18399 4034 1 12 . 1 1 16 16 ASN N N 10 115.509 115.509 117.128 -1.619 18399 4035 1 12 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.371 -0.179 18399 4036 1 12 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.458 0.503 18399 4037 1 12 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.509 -1.214 18399 4038 1 12 . 1 1 16 16 ASN H H 10 8.229 8.229 7.881 0.348 18399 4039 1 12 . 1 1 17 17 LYS N N 11 120.345 120.345 120.021 0.324 18399 4040 1 12 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.410 -0.155 18399 4041 1 12 . 1 1 17 17 LYS CA C 11 56.347 56.347 54.942 1.405 18399 4042 1 12 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.877 0.059 18399 4043 1 12 . 1 1 17 17 LYS H H 11 7.315 7.315 7.516 -0.201 18399 4044 1 12 . 1 1 18 18 VAL N N 12 125.270 125.270 124.697 0.573 18399 4045 1 12 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.567 0.070 18399 4046 1 12 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.244 0.505 18399 4047 1 12 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.552 -0.360 18399 4048 1 12 . 1 1 18 18 VAL H H 12 8.576 8.576 8.164 0.412 18399 4049 1 12 . 1 1 19 19 ILE N N 13 130.928 130.928 127.995 2.933 18399 4050 1 12 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.330 -0.177 18399 4051 1 12 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.537 0.908 18399 4052 1 12 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.997 0.198 18399 4053 1 12 . 1 1 19 19 ILE H H 13 9.486 9.486 8.670 0.816 18399 4054 1 12 . 1 1 20 20 GLN N N 14 124.762 124.762 128.388 -3.626 18399 4055 1 12 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.774 0.288 18399 4056 1 12 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.828 -0.034 18399 4057 1 12 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.752 -0.150 18399 4058 1 12 . 1 1 20 20 GLN H H 14 8.803 8.803 8.544 0.259 18399 4059 1 12 . 1 1 21 21 ILE N N 15 126.010 126.010 123.493 2.517 18399 4060 1 12 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.697 -0.184 18399 4061 1 12 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.557 0.082 18399 4062 1 12 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.858 -1.687 18399 4063 1 12 . 1 1 21 21 ILE H H 15 9.076 9.076 8.219 0.857 18399 4064 1 12 . 1 1 22 22 THR N N 16 118.074 118.074 114.043 4.031 18399 4065 1 12 . 1 1 22 22 THR HA H 16 4.904 4.904 4.531 0.373 18399 4066 1 12 . 1 1 22 22 THR CA C 16 61.462 61.462 61.049 0.413 18399 4067 1 12 . 1 1 22 22 THR CB C 16 69.657 69.657 68.278 1.379 18399 4068 1 12 . 1 1 22 22 THR H H 16 9.047 9.047 8.436 0.611 18399 4069 1 12 . 1 1 23 23 SER N N 17 113.130 113.130 116.839 -3.709 18399 4070 1 12 . 1 1 23 23 SER HA H 17 4.440 4.440 4.603 -0.163 18399 4071 1 12 . 1 1 23 23 SER CA C 17 58.002 58.002 58.502 -0.500 18399 4072 1 12 . 1 1 23 23 SER CB C 17 64.268 64.268 63.690 0.578 18399 4073 1 12 . 1 1 23 23 SER H H 17 7.330 7.330 8.112 -0.782 18399 4074 1 12 . 1 1 24 24 LEU N N 18 123.241 123.241 124.818 -1.577 18399 4075 1 12 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.700 0.039 18399 4076 1 12 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.878 -0.020 18399 4077 1 12 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.114 -1.624 18399 4078 1 12 . 1 1 24 24 LEU H H 18 8.728 8.728 8.328 0.400 18399 4079 1 12 . 1 1 25 25 THR N N 19 111.915 111.915 115.149 -3.234 18399 4080 1 12 . 1 1 25 25 THR HA H 19 4.816 4.816 4.316 0.500 18399 4081 1 12 . 1 1 25 25 THR CA C 19 59.575 59.575 61.390 -1.815 18399 4082 1 12 . 1 1 25 25 THR CB C 19 72.043 72.043 69.977 2.066 18399 4083 1 12 . 1 1 25 25 THR H H 19 9.363 9.363 8.235 1.128 18399 4084 1 12 . 1 1 26 26 ASP N N 20 117.183 117.183 115.419 1.764 18399 4085 1 12 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.672 -0.339 18399 4086 1 12 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.551 2.178 18399 4087 1 12 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.201 -1.819 18399 4088 1 12 . 1 1 26 26 ASP H H 20 8.785 8.785 8.120 0.665 18399 4089 1 12 . 1 1 27 27 ASP N N 21 116.327 116.327 117.789 -1.462 18399 4090 1 12 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.563 0.111 18399 4091 1 12 . 1 1 27 27 ASP CA C 21 54.770 54.770 55.489 -0.719 18399 4092 1 12 . 1 1 27 27 ASP CB C 21 42.294 42.294 41.529 0.765 18399 4093 1 12 . 1 1 27 27 ASP H H 21 7.775 7.775 8.123 -0.348 18399 4094 1 12 . 1 1 28 28 ASN N N 22 117.269 117.269 114.334 2.935 18399 4095 1 12 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.802 0.090 18399 4096 1 12 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.670 1.140 18399 4097 1 12 . 1 1 28 28 ASN CB C 22 41.101 41.101 39.941 1.160 18399 4098 1 12 . 1 1 28 28 ASN H H 22 7.829 7.829 8.168 -0.339 18399 4099 1 12 . 1 1 29 29 THR N N 23 108.639 108.639 114.556 -5.917 18399 4100 1 12 . 1 1 29 29 THR HA H 23 5.206 5.206 3.790 1.416 18399 4101 1 12 . 1 1 29 29 THR CA C 23 59.830 59.830 66.141 -6.311 18399 4102 1 12 . 1 1 29 29 THR CB C 23 72.396 72.396 67.892 4.504 18399 4103 1 12 . 1 1 29 29 THR H H 23 9.145 9.145 7.896 1.249 18399 4104 1 12 . 1 1 30 30 ILE N N 24 120.336 120.336 122.323 -1.987 18399 4105 1 12 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.876 -0.190 18399 4106 1 12 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.059 -3.479 18399 4107 1 12 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.861 -4.517 18399 4108 1 12 . 1 1 30 30 ILE H H 24 8.477 8.477 8.134 0.343 18399 4109 1 12 . 1 1 31 31 ALA N N 25 123.489 123.489 122.545 0.944 18399 4110 1 12 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.190 -0.319 18399 4111 1 12 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.330 0.626 18399 4112 1 12 . 1 1 31 31 ALA CB C 25 18.160 18.160 18.151 0.009 18399 4113 1 12 . 1 1 31 31 ALA H H 25 8.951 8.951 7.710 1.241 18399 4114 1 12 . 1 1 32 32 GLU N N 26 120.101 120.101 119.420 0.681 18399 4115 1 12 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.168 -0.153 18399 4116 1 12 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.264 0.087 18399 4117 1 12 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.311 -0.588 18399 4118 1 12 . 1 1 32 32 GLU H H 26 7.988 7.988 8.519 -0.531 18399 4119 1 12 . 1 1 33 33 LEU N N 27 124.025 124.025 120.400 3.625 18399 4120 1 12 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.097 -0.064 18399 4121 1 12 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.767 0.894 18399 4122 1 12 . 1 1 33 33 LEU CB C 27 40.157 40.157 41.690 -1.533 18399 4123 1 12 . 1 1 33 33 LEU H H 27 8.083 8.083 7.707 0.376 18399 4124 1 12 . 1 1 34 34 LYS N N 28 119.471 119.471 118.819 0.652 18399 4125 1 12 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.176 -0.377 18399 4126 1 12 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.757 1.753 18399 4127 1 12 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.669 0.179 18399 4128 1 12 . 1 1 34 34 LYS H H 28 8.746 8.746 8.709 0.037 18399 4129 1 12 . 1 1 35 35 GLY N N 29 106.034 106.034 107.860 -1.826 18399 4130 1 12 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.877 0.165 18399 4131 1 12 . 1 1 35 35 GLY H H 29 8.096 8.096 8.432 -0.336 18399 4132 1 12 . 1 1 36 36 LYS N N 30 121.196 121.196 122.468 -1.272 18399 4133 1 12 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.162 0.075 18399 4134 1 12 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.833 -1.490 18399 4135 1 12 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.415 -1.882 18399 4136 1 12 . 1 1 36 36 LYS H H 30 7.704 7.704 7.829 -0.125 18399 4137 1 12 . 1 1 37 37 LEU N N 31 121.657 121.657 120.832 0.825 18399 4138 1 12 . 1 1 37 37 LEU HA H 31 4.295 4.295 3.993 0.302 18399 4139 1 12 . 1 1 37 37 LEU CA C 31 57.282 57.282 58.302 -1.020 18399 4140 1 12 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.159 0.033 18399 4141 1 12 . 1 1 37 37 LEU H H 31 7.948 7.948 8.148 -0.200 18399 4142 1 12 . 1 1 38 38 GLU N N 32 123.295 123.295 118.661 4.634 18399 4143 1 12 . 1 1 38 38 GLU HA H 32 4.354 4.354 4.026 0.328 18399 4144 1 12 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.840 0.465 18399 4145 1 12 . 1 1 38 38 GLU CB C 32 29.339 29.339 28.812 0.527 18399 4146 1 12 . 1 1 38 38 GLU H H 32 8.714 8.714 8.170 0.544 18399 4147 1 12 . 1 1 39 39 GLU N N 33 118.296 118.296 119.481 -1.185 18399 4148 1 12 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.072 -0.085 18399 4149 1 12 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.721 0.420 18399 4150 1 12 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.644 -0.042 18399 4151 1 12 . 1 1 39 39 GLU H H 33 7.470 7.470 7.851 -0.381 18399 4152 1 12 . 1 1 40 40 SER N N 34 112.266 112.266 114.424 -2.158 18399 4153 1 12 . 1 1 40 40 SER CA C 34 61.150 61.150 60.963 0.187 18399 4154 1 12 . 1 1 40 40 SER CB C 34 63.578 63.578 63.176 0.402 18399 4155 1 12 . 1 1 40 40 SER H H 34 8.054 8.054 7.803 0.251 18399 4156 1 12 . 1 1 41 41 GLU N N 35 116.449 116.449 118.764 -2.315 18399 4157 1 12 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.360 0.007 18399 4158 1 12 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.732 -1.676 18399 4159 1 12 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.201 0.343 18399 4160 1 12 . 1 1 41 41 GLU H H 35 8.908 8.908 7.798 1.110 18399 4161 1 12 . 1 1 42 42 GLY N N 36 108.168 108.168 108.648 -0.480 18399 4162 1 12 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.113 0.311 18399 4163 1 12 . 1 1 42 42 GLY H H 36 7.930 7.930 7.732 0.198 18399 4164 1 12 . 1 1 43 43 ILE N N 37 120.326 120.326 116.312 4.014 18399 4165 1 12 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.590 -0.860 18399 4166 1 12 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.441 1.778 18399 4167 1 12 . 1 1 43 43 ILE H H 37 6.446 6.446 7.242 -0.796 18399 4168 1 12 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.618 -0.442 18399 4169 1 12 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.597 0.421 18399 4170 1 12 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.666 -0.507 18399 4171 1 12 . 1 1 45 45 GLY N N 39 111.710 111.710 110.413 1.297 18399 4172 1 12 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.600 1.006 18399 4173 1 12 . 1 1 45 45 GLY H H 39 9.228 9.228 8.643 0.585 18399 4174 1 12 . 1 1 46 46 ASN N N 40 114.967 114.967 114.287 0.680 18399 4175 1 12 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.659 -0.147 18399 4176 1 12 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.395 1.078 18399 4177 1 12 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.084 -1.573 18399 4178 1 12 . 1 1 46 46 ASN H H 40 8.325 8.325 8.042 0.283 18399 4179 1 12 . 1 1 47 47 MET N N 41 118.446 118.446 119.271 -0.825 18399 4180 1 12 . 1 1 47 47 MET HA H 41 4.557 4.557 4.512 0.045 18399 4181 1 12 . 1 1 47 47 MET CA C 41 54.886 54.886 56.364 -1.478 18399 4182 1 12 . 1 1 47 47 MET CB C 41 32.632 32.632 33.506 -0.874 18399 4183 1 12 . 1 1 47 47 MET H H 41 8.247 8.247 8.006 0.241 18399 4184 1 12 . 1 1 48 48 ILE N N 42 119.569 119.569 117.057 2.512 18399 4185 1 12 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.792 0.304 18399 4186 1 12 . 1 1 48 48 ILE CA C 42 62.749 62.749 62.097 0.652 18399 4187 1 12 . 1 1 48 48 ILE CB C 42 39.436 39.436 35.507 3.929 18399 4188 1 12 . 1 1 48 48 ILE H H 42 7.422 7.422 7.866 -0.444 18399 4189 1 12 . 1 1 49 49 ARG N N 43 127.179 127.179 120.807 6.372 18399 4190 1 12 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.658 -0.078 18399 4191 1 12 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.188 -0.226 18399 4192 1 12 . 1 1 49 49 ARG CB C 43 31.029 31.029 31.675 -0.646 18399 4193 1 12 . 1 1 49 49 ARG H H 43 8.967 8.967 7.867 1.100 18399 4194 1 12 . 1 1 50 50 LEU N N 44 122.639 122.639 122.153 0.486 18399 4195 1 12 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.299 0.108 18399 4196 1 12 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.365 -0.670 18399 4197 1 12 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.606 3.049 18399 4198 1 12 . 1 1 50 50 LEU H H 44 8.603 8.603 8.486 0.117 18399 4199 1 12 . 1 1 51 51 VAL N N 45 121.931 121.931 118.459 3.472 18399 4200 1 12 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.835 -0.127 18399 4201 1 12 . 1 1 51 51 VAL CA C 45 60.583 60.583 60.296 0.287 18399 4202 1 12 . 1 1 51 51 VAL CB C 45 34.601 34.601 32.753 1.848 18399 4203 1 12 . 1 1 51 51 VAL H H 45 8.960 8.960 8.225 0.735 18399 4204 1 12 . 1 1 52 52 TYR N N 46 126.384 126.384 128.111 -1.727 18399 4205 1 12 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.810 0.279 18399 4206 1 12 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.138 -0.063 18399 4207 1 12 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.887 1.782 18399 4208 1 12 . 1 1 52 52 TYR H H 46 8.879 8.879 8.860 0.019 18399 4209 1 12 . 1 1 53 53 GLN N N 47 127.041 127.041 128.039 -0.998 18399 4210 1 12 . 1 1 53 53 GLN HA H 47 3.656 3.656 4.052 -0.396 18399 4211 1 12 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.626 -0.352 18399 4212 1 12 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.489 -2.048 18399 4213 1 12 . 1 1 53 53 GLN H H 47 9.323 9.323 9.538 -0.215 18399 4214 1 12 . 1 1 54 54 GLY N N 48 102.991 102.991 102.774 0.217 18399 4215 1 12 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.030 0.343 18399 4216 1 12 . 1 1 54 54 GLY H H 48 8.358 8.358 8.631 -0.273 18399 4217 1 12 . 1 1 55 55 LYS N N 49 121.595 121.595 120.900 0.695 18399 4218 1 12 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.639 -0.022 18399 4219 1 12 . 1 1 55 55 LYS CA C 49 54.340 54.340 55.026 -0.686 18399 4220 1 12 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.611 -0.410 18399 4221 1 12 . 1 1 55 55 LYS H H 49 7.819 7.819 7.989 -0.170 18399 4222 1 12 . 1 1 56 56 GLN N N 50 122.484 122.484 119.286 3.198 18399 4223 1 12 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.636 -0.051 18399 4224 1 12 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.712 1.066 18399 4225 1 12 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.798 -2.097 18399 4226 1 12 . 1 1 56 56 GLN H H 50 8.757 8.757 8.390 0.367 18399 4227 1 12 . 1 1 57 57 LEU N N 51 125.130 125.130 120.812 4.318 18399 4228 1 12 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.100 0.200 18399 4229 1 12 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.969 -1.830 18399 4230 1 12 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.299 0.926 18399 4231 1 12 . 1 1 57 57 LEU H H 51 8.442 8.442 8.765 -0.323 18399 4232 1 12 . 1 1 58 58 GLU N N 52 122.551 122.551 120.687 1.864 18399 4233 1 12 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.469 -0.010 18399 4234 1 12 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.230 -0.120 18399 4235 1 12 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.476 0.570 18399 4236 1 12 . 1 1 58 58 GLU H H 52 8.125 8.125 8.634 -0.509 18399 4237 1 12 . 1 1 59 59 ASP N N 53 122.235 122.235 122.077 0.158 18399 4238 1 12 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.376 -0.231 18399 4239 1 12 . 1 1 59 59 ASP CA C 53 57.699 57.699 57.864 -0.165 18399 4240 1 12 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.876 0.135 18399 4241 1 12 . 1 1 59 59 ASP H H 53 8.346 8.346 8.670 -0.324 18399 4242 1 12 . 1 1 60 60 GLU N N 54 113.128 113.128 116.703 -3.575 18399 4243 1 12 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.110 0.205 18399 4244 1 12 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.166 -0.830 18399 4245 1 12 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.544 -0.502 18399 4246 1 12 . 1 1 60 60 GLU H H 54 8.756 8.756 8.534 0.222 18399 4247 1 12 . 1 1 61 61 LYS N N 55 119.869 119.869 119.204 0.665 18399 4248 1 12 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.385 -0.134 18399 4249 1 12 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.657 1.300 18399 4250 1 12 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.373 1.571 18399 4251 1 12 . 1 1 61 61 LYS H H 55 7.677 7.677 7.725 -0.048 18399 4252 1 12 . 1 1 62 62 ARG N N 56 117.724 117.724 120.211 -2.487 18399 4253 1 12 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.177 0.547 18399 4254 1 12 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.729 2.391 18399 4255 1 12 . 1 1 62 62 ARG H H 56 8.797 8.797 7.671 1.126 18399 4256 1 12 . 1 1 63 63 LEU N N 57 123.223 123.223 121.743 1.480 18399 4257 1 12 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.225 -0.187 18399 4258 1 12 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.395 2.029 18399 4259 1 12 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.713 -1.315 18399 4260 1 12 . 1 1 63 63 LEU H H 57 8.728 8.728 8.420 0.308 18399 4261 1 12 . 1 1 64 64 LYS N N 58 114.073 114.073 118.564 -4.491 18399 4262 1 12 . 1 1 64 64 LYS HA H 58 4.409 4.409 3.991 0.418 18399 4263 1 12 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.131 -1.297 18399 4264 1 12 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.601 -0.477 18399 4265 1 12 . 1 1 64 64 LYS H H 58 8.681 8.681 8.265 0.416 18399 4266 1 12 . 1 1 65 65 ASP N N 59 120.640 120.640 118.960 1.680 18399 4267 1 12 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.515 -0.096 18399 4268 1 12 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.739 0.767 18399 4269 1 12 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.863 -0.815 18399 4270 1 12 . 1 1 65 65 ASP H H 59 7.862 7.862 8.140 -0.278 18399 4271 1 12 . 1 1 66 66 TYR N N 60 117.775 117.775 119.846 -2.071 18399 4272 1 12 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.259 0.357 18399 4273 1 12 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.298 -2.148 18399 4274 1 12 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.986 0.343 18399 4275 1 12 . 1 1 66 66 TYR H H 60 7.545 7.545 8.002 -0.457 18399 4276 1 12 . 1 1 67 67 GLN N N 61 117.450 117.450 117.596 -0.146 18399 4277 1 12 . 1 1 67 67 GLN HA H 61 4.183 4.183 3.973 0.210 18399 4278 1 12 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.202 -0.585 18399 4279 1 12 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.489 -1.911 18399 4280 1 12 . 1 1 67 67 GLN H H 61 8.155 8.155 7.779 0.376 18399 4281 1 12 . 1 1 68 68 MET N N 62 120.193 120.193 118.125 2.068 18399 4282 1 12 . 1 1 68 68 MET HA H 62 4.470 4.470 4.374 0.096 18399 4283 1 12 . 1 1 68 68 MET CA C 62 55.767 55.767 55.779 -0.012 18399 4284 1 12 . 1 1 68 68 MET CB C 62 33.105 33.105 32.674 0.431 18399 4285 1 12 . 1 1 68 68 MET H H 62 7.997 7.997 7.416 0.581 18399 4286 1 12 . 1 1 69 69 SER N N 63 116.722 116.722 112.395 4.327 18399 4287 1 12 . 1 1 69 69 SER HA H 63 4.530 4.530 4.251 0.279 18399 4288 1 12 . 1 1 69 69 SER CA C 63 57.654 57.654 59.843 -2.188 18399 4289 1 12 . 1 1 69 69 SER CB C 63 64.803 64.803 62.146 2.657 18399 4290 1 12 . 1 1 69 69 SER H H 63 8.073 8.073 8.653 -0.580 18399 4291 1 12 . 1 1 70 70 ALA N N 64 123.286 123.286 120.096 3.190 18399 4292 1 12 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.426 -0.170 18399 4293 1 12 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.094 1.472 18399 4294 1 12 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.473 -1.231 18399 4295 1 12 . 1 1 70 70 ALA H H 64 8.492 8.492 8.055 0.437 18399 4296 1 12 . 1 1 71 71 GLY N N 65 110.294 110.294 107.755 2.539 18399 4297 1 12 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.575 0.552 18399 4298 1 12 . 1 1 71 71 GLY H H 65 8.907 8.907 8.106 0.801 18399 4299 1 12 . 1 1 72 72 ALA N N 66 123.229 123.229 128.539 -5.310 18399 4300 1 12 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.205 0.083 18399 4301 1 12 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.181 0.695 18399 4302 1 12 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.455 0.371 18399 4303 1 12 . 1 1 72 72 ALA H H 66 7.572 7.572 8.637 -1.065 18399 4304 1 12 . 1 1 73 73 THR N N 67 116.161 116.161 115.076 1.085 18399 4305 1 12 . 1 1 73 73 THR HA H 67 5.060 5.060 4.449 0.611 18399 4306 1 12 . 1 1 73 73 THR CA C 67 61.493 61.493 60.056 1.437 18399 4307 1 12 . 1 1 73 73 THR CB C 67 71.022 71.022 71.031 -0.009 18399 4308 1 12 . 1 1 73 73 THR H H 67 8.253 8.253 8.489 -0.236 18399 4309 1 12 . 1 1 74 74 PHE N N 68 124.518 124.518 126.142 -1.624 18399 4310 1 12 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.034 0.335 18399 4311 1 12 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.391 -2.378 18399 4312 1 12 . 1 1 74 74 PHE CB C 68 40.893 40.893 42.196 -1.303 18399 4313 1 12 . 1 1 74 74 PHE H H 68 8.989 8.989 8.391 0.598 18399 4314 1 12 . 1 1 75 75 HIS N N 69 120.835 120.835 126.764 -5.929 18399 4315 1 12 . 1 1 75 75 HIS HA H 69 5.146 5.146 5.129 0.017 18399 4316 1 12 . 1 1 75 75 HIS CA C 69 56.131 56.131 55.533 0.598 18399 4317 1 12 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.395 0.189 18399 4318 1 12 . 1 1 75 75 HIS H H 69 9.300 9.300 8.892 0.408 18399 4319 1 12 . 1 1 76 76 MET N N 70 122.731 122.731 122.778 -0.047 18399 4320 1 12 . 1 1 76 76 MET HA H 70 5.199 5.199 4.972 0.227 18399 4321 1 12 . 1 1 76 76 MET CA C 70 54.683 54.683 54.835 -0.152 18399 4322 1 12 . 1 1 76 76 MET CB C 70 35.426 35.426 36.336 -0.910 18399 4323 1 12 . 1 1 76 76 MET H H 70 8.563 8.563 8.441 0.122 18399 4324 1 12 . 1 1 77 77 VAL N N 71 128.801 128.801 126.210 2.591 18399 4325 1 12 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.523 -0.246 18399 4326 1 12 . 1 1 77 77 VAL CA C 71 61.343 61.343 59.921 1.422 18399 4327 1 12 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.815 0.841 18399 4328 1 12 . 1 1 77 77 VAL H H 71 9.118 9.118 8.728 0.390 18399 4329 1 12 . 1 1 78 78 VAL N N 72 125.528 125.528 128.816 -3.288 18399 4330 1 12 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.248 0.370 18399 4331 1 12 . 1 1 78 78 VAL CA C 72 61.485 61.485 61.788 -0.303 18399 4332 1 12 . 1 1 78 78 VAL CB C 72 32.311 32.311 31.055 1.256 18399 4333 1 12 . 1 1 78 78 VAL H H 72 8.544 8.544 8.519 0.025 18399 4334 1 12 . 1 1 79 79 ALA N N 73 131.664 131.664 132.217 -0.553 18399 4335 1 12 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.525 -0.202 18399 4336 1 12 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.025 0.721 18399 4337 1 12 . 1 1 79 79 ALA CB C 73 19.445 19.445 19.058 0.387 18399 4338 1 12 . 1 1 79 79 ALA H H 73 8.957 8.957 8.461 0.496 18399 4339 1 12 . 1 1 80 80 LEU N N 74 120.722 120.722 119.765 0.957 18399 4340 1 12 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.006 0.273 18399 4341 1 12 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.520 -0.329 18399 4342 1 12 . 1 1 80 80 LEU CB C 74 42.356 42.356 41.405 0.951 18399 4343 1 12 . 1 1 80 80 LEU H H 74 8.193 8.193 8.362 -0.169 18399 4344 1 12 . 1 1 81 81 ARG N N 75 121.022 121.022 121.653 -0.631 18399 4345 1 12 . 1 1 81 81 ARG HA H 75 4.294 4.294 5.206 -0.912 18399 4346 1 12 . 1 1 81 81 ARG CA C 75 55.604 55.604 56.299 -0.695 18399 4347 1 12 . 1 1 81 81 ARG CB C 75 30.856 30.856 32.168 -1.312 18399 4348 1 12 . 1 1 81 81 ARG H H 75 8.207 8.207 8.518 -0.311 18399 4349 1 12 . 1 1 82 82 ALA N N 76 125.815 125.815 121.892 3.923 18399 4350 1 12 . 1 1 82 82 ALA HA H 76 4.278 4.278 5.036 -0.758 18399 4351 1 12 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.420 1.058 18399 4352 1 12 . 1 1 82 82 ALA CB C 76 18.813 18.813 21.297 -2.484 18399 4353 1 12 . 1 1 82 82 ALA H H 76 8.471 8.471 8.698 -0.227 18399 4354 1 12 . 1 1 83 83 GLY N N 77 109.110 109.110 108.533 0.577 18399 4355 1 12 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.065 0.271 18399 4356 1 12 . 1 1 83 83 GLY H H 77 8.506 8.506 8.765 -0.259 18399 4357 1 13 . 1 1 8 8 LEU N N 2 125.142 125.142 121.638 3.504 18399 4358 1 13 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.107 -0.633 18399 4359 1 13 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.873 1.402 18399 4360 1 13 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.125 -1.223 18399 4361 1 13 . 1 1 8 8 LEU H H 2 8.251 8.251 7.742 0.509 18399 4362 1 13 . 1 1 9 9 LEU N N 3 126.326 126.326 121.776 4.550 18399 4363 1 13 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.935 -0.139 18399 4364 1 13 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.316 -0.272 18399 4365 1 13 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.018 -1.510 18399 4366 1 13 . 1 1 9 9 LEU H H 3 8.307 8.307 7.986 0.321 18399 4367 1 13 . 1 1 10 10 LYS N N 4 121.349 121.349 123.416 -2.067 18399 4368 1 13 . 1 1 10 10 LYS HA H 4 5.080 5.080 5.054 0.026 18399 4369 1 13 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.778 -0.146 18399 4370 1 13 . 1 1 10 10 LYS CB C 4 34.425 34.425 33.778 0.647 18399 4371 1 13 . 1 1 10 10 LYS H H 4 8.428 8.428 8.607 -0.179 18399 4372 1 13 . 1 1 11 11 VAL N N 5 122.408 122.408 122.423 -0.015 18399 4373 1 13 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.794 -0.106 18399 4374 1 13 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.930 0.396 18399 4375 1 13 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.555 1.275 18399 4376 1 13 . 1 1 11 11 VAL H H 5 9.088 9.088 8.670 0.418 18399 4377 1 13 . 1 1 12 12 LYS N N 6 127.778 127.778 125.960 1.818 18399 4378 1 13 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.188 0.164 18399 4379 1 13 . 1 1 12 12 LYS CA C 6 54.675 54.675 54.007 0.668 18399 4380 1 13 . 1 1 12 12 LYS CB C 6 34.184 34.184 34.979 -0.795 18399 4381 1 13 . 1 1 12 12 LYS H H 6 9.029 9.029 8.515 0.514 18399 4382 1 13 . 1 1 13 13 THR N N 7 116.723 116.723 118.691 -1.968 18399 4383 1 13 . 1 1 13 13 THR HA H 7 4.860 4.860 4.426 0.434 18399 4384 1 13 . 1 1 13 13 THR CA C 7 60.392 60.392 60.494 -0.102 18399 4385 1 13 . 1 1 13 13 THR CB C 7 71.189 71.189 70.183 1.006 18399 4386 1 13 . 1 1 13 13 THR H H 7 8.790 8.790 8.300 0.490 18399 4387 1 13 . 1 1 14 14 VAL N N 8 119.340 119.340 121.322 -1.982 18399 4388 1 13 . 1 1 14 14 VAL HA H 8 4.103 4.103 3.949 0.154 18399 4389 1 13 . 1 1 14 14 VAL CA C 8 64.712 64.712 63.993 0.719 18399 4390 1 13 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.360 -0.200 18399 4391 1 13 . 1 1 14 14 VAL H H 8 8.872 8.872 8.498 0.374 18399 4392 1 13 . 1 1 15 15 SER N N 9 114.630 114.630 113.931 0.699 18399 4393 1 13 . 1 1 15 15 SER HA H 9 4.513 4.513 4.472 0.041 18399 4394 1 13 . 1 1 15 15 SER CA C 9 57.913 57.913 58.515 -0.602 18399 4395 1 13 . 1 1 15 15 SER CB C 9 63.243 63.243 62.827 0.416 18399 4396 1 13 . 1 1 15 15 SER H H 9 7.859 7.859 7.985 -0.126 18399 4397 1 13 . 1 1 16 16 ASN N N 10 115.509 115.509 118.184 -2.675 18399 4398 1 13 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.447 -0.255 18399 4399 1 13 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.612 0.349 18399 4400 1 13 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.629 -1.334 18399 4401 1 13 . 1 1 16 16 ASN H H 10 8.229 8.229 7.882 0.347 18399 4402 1 13 . 1 1 17 17 LYS N N 11 120.345 120.345 119.958 0.387 18399 4403 1 13 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.443 -0.188 18399 4404 1 13 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.087 1.260 18399 4405 1 13 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.971 -0.035 18399 4406 1 13 . 1 1 17 17 LYS H H 11 7.315 7.315 7.567 -0.252 18399 4407 1 13 . 1 1 18 18 VAL N N 12 125.270 125.270 124.945 0.325 18399 4408 1 13 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.701 -0.064 18399 4409 1 13 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.242 0.507 18399 4410 1 13 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.613 -0.421 18399 4411 1 13 . 1 1 18 18 VAL H H 12 8.576 8.576 8.264 0.312 18399 4412 1 13 . 1 1 19 19 ILE N N 13 130.928 130.928 127.918 3.010 18399 4413 1 13 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.418 -0.265 18399 4414 1 13 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.407 1.038 18399 4415 1 13 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.890 0.305 18399 4416 1 13 . 1 1 19 19 ILE H H 13 9.486 9.486 8.972 0.514 18399 4417 1 13 . 1 1 20 20 GLN N N 14 124.762 124.762 126.803 -2.041 18399 4418 1 13 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.818 0.244 18399 4419 1 13 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.861 -0.066 18399 4420 1 13 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.148 0.454 18399 4421 1 13 . 1 1 20 20 GLN H H 14 8.803 8.803 8.469 0.334 18399 4422 1 13 . 1 1 21 21 ILE N N 15 126.010 126.010 120.695 5.315 18399 4423 1 13 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.661 -0.148 18399 4424 1 13 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.746 -0.107 18399 4425 1 13 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.684 -1.514 18399 4426 1 13 . 1 1 21 21 ILE H H 15 9.076 9.076 8.117 0.959 18399 4427 1 13 . 1 1 22 22 THR N N 16 118.074 118.074 117.997 0.077 18399 4428 1 13 . 1 1 22 22 THR HA H 16 4.904 4.904 4.586 0.318 18399 4429 1 13 . 1 1 22 22 THR CA C 16 61.462 61.462 61.422 0.040 18399 4430 1 13 . 1 1 22 22 THR CB C 16 69.657 69.657 68.316 1.341 18399 4431 1 13 . 1 1 22 22 THR H H 16 9.047 9.047 8.485 0.562 18399 4432 1 13 . 1 1 23 23 SER N N 17 113.130 113.130 118.331 -5.201 18399 4433 1 13 . 1 1 23 23 SER HA H 17 4.440 4.440 4.543 -0.103 18399 4434 1 13 . 1 1 23 23 SER CA C 17 58.002 58.002 58.656 -0.654 18399 4435 1 13 . 1 1 23 23 SER CB C 17 64.268 64.268 63.685 0.583 18399 4436 1 13 . 1 1 23 23 SER H H 17 7.330 7.330 7.822 -0.492 18399 4437 1 13 . 1 1 24 24 LEU N N 18 123.241 123.241 125.556 -2.315 18399 4438 1 13 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.741 -0.002 18399 4439 1 13 . 1 1 24 24 LEU CA C 18 53.858 53.858 54.608 -0.749 18399 4440 1 13 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.845 -2.355 18399 4441 1 13 . 1 1 24 24 LEU H H 18 8.728 8.728 8.188 0.540 18399 4442 1 13 . 1 1 25 25 THR N N 19 111.915 111.915 114.765 -2.850 18399 4443 1 13 . 1 1 25 25 THR HA H 19 4.816 4.816 4.370 0.446 18399 4444 1 13 . 1 1 25 25 THR CA C 19 59.575 59.575 60.531 -0.956 18399 4445 1 13 . 1 1 25 25 THR CB C 19 72.043 72.043 70.603 1.440 18399 4446 1 13 . 1 1 25 25 THR H H 19 9.363 9.363 8.311 1.052 18399 4447 1 13 . 1 1 26 26 ASP N N 20 117.183 117.183 116.378 0.805 18399 4448 1 13 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.645 -0.312 18399 4449 1 13 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.860 1.869 18399 4450 1 13 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.054 -1.672 18399 4451 1 13 . 1 1 26 26 ASP H H 20 8.785 8.785 8.467 0.318 18399 4452 1 13 . 1 1 27 27 ASP N N 21 116.327 116.327 118.872 -2.545 18399 4453 1 13 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.586 0.088 18399 4454 1 13 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.548 -1.778 18399 4455 1 13 . 1 1 27 27 ASP CB C 21 42.294 42.294 42.016 0.278 18399 4456 1 13 . 1 1 27 27 ASP H H 21 7.775 7.775 8.341 -0.566 18399 4457 1 13 . 1 1 28 28 ASN N N 22 117.269 117.269 113.189 4.080 18399 4458 1 13 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.800 0.092 18399 4459 1 13 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.160 1.651 18399 4460 1 13 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.983 0.118 18399 4461 1 13 . 1 1 28 28 ASN H H 22 7.829 7.829 8.514 -0.685 18399 4462 1 13 . 1 1 29 29 THR N N 23 108.639 108.639 114.917 -6.278 18399 4463 1 13 . 1 1 29 29 THR HA H 23 5.206 5.206 3.880 1.326 18399 4464 1 13 . 1 1 29 29 THR CA C 23 59.830 59.830 66.067 -6.237 18399 4465 1 13 . 1 1 29 29 THR CB C 23 72.396 72.396 67.831 4.565 18399 4466 1 13 . 1 1 29 29 THR H H 23 9.145 9.145 8.169 0.976 18399 4467 1 13 . 1 1 30 30 ILE N N 24 120.336 120.336 122.818 -2.482 18399 4468 1 13 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.863 -0.177 18399 4469 1 13 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.097 -3.517 18399 4470 1 13 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.728 -4.384 18399 4471 1 13 . 1 1 30 30 ILE H H 24 8.477 8.477 8.237 0.240 18399 4472 1 13 . 1 1 31 31 ALA N N 25 123.489 123.489 122.557 0.932 18399 4473 1 13 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.068 -0.197 18399 4474 1 13 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.334 0.622 18399 4475 1 13 . 1 1 31 31 ALA CB C 25 18.160 18.160 17.920 0.240 18399 4476 1 13 . 1 1 31 31 ALA H H 25 8.951 8.951 7.718 1.233 18399 4477 1 13 . 1 1 32 32 GLU N N 26 120.101 120.101 119.131 0.970 18399 4478 1 13 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.157 -0.142 18399 4479 1 13 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.082 0.269 18399 4480 1 13 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.245 -0.523 18399 4481 1 13 . 1 1 32 32 GLU H H 26 7.988 7.988 8.555 -0.567 18399 4482 1 13 . 1 1 33 33 LEU N N 27 124.025 124.025 120.275 3.750 18399 4483 1 13 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.029 0.004 18399 4484 1 13 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.753 0.909 18399 4485 1 13 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.178 -2.022 18399 4486 1 13 . 1 1 33 33 LEU H H 27 8.083 8.083 7.773 0.310 18399 4487 1 13 . 1 1 34 34 LYS N N 28 119.471 119.471 118.560 0.911 18399 4488 1 13 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.194 -0.395 18399 4489 1 13 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.493 2.017 18399 4490 1 13 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.724 0.124 18399 4491 1 13 . 1 1 34 34 LYS H H 28 8.746 8.746 8.635 0.111 18399 4492 1 13 . 1 1 35 35 GLY N N 29 106.034 106.034 107.854 -1.820 18399 4493 1 13 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.842 0.200 18399 4494 1 13 . 1 1 35 35 GLY H H 29 8.096 8.096 8.465 -0.369 18399 4495 1 13 . 1 1 36 36 LYS N N 30 121.196 121.196 122.072 -0.876 18399 4496 1 13 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.119 0.118 18399 4497 1 13 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.944 -1.602 18399 4498 1 13 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.431 -1.898 18399 4499 1 13 . 1 1 36 36 LYS H H 30 7.704 7.704 7.849 -0.145 18399 4500 1 13 . 1 1 37 37 LEU N N 31 121.657 121.657 121.072 0.585 18399 4501 1 13 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.051 0.244 18399 4502 1 13 . 1 1 37 37 LEU CA C 31 57.282 57.282 57.967 -0.685 18399 4503 1 13 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.272 -0.080 18399 4504 1 13 . 1 1 37 37 LEU H H 31 7.948 7.948 7.997 -0.049 18399 4505 1 13 . 1 1 38 38 GLU N N 32 123.295 123.295 118.339 4.956 18399 4506 1 13 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.982 0.372 18399 4507 1 13 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.838 0.466 18399 4508 1 13 . 1 1 38 38 GLU CB C 32 29.339 29.339 29.042 0.297 18399 4509 1 13 . 1 1 38 38 GLU H H 32 8.714 8.714 8.026 0.688 18399 4510 1 13 . 1 1 39 39 GLU N N 33 118.296 118.296 119.557 -1.261 18399 4511 1 13 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.112 -0.126 18399 4512 1 13 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.627 0.514 18399 4513 1 13 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.606 -0.004 18399 4514 1 13 . 1 1 39 39 GLU H H 33 7.470 7.470 7.917 -0.447 18399 4515 1 13 . 1 1 40 40 SER N N 34 112.266 112.266 114.809 -2.543 18399 4516 1 13 . 1 1 40 40 SER CA C 34 61.150 61.150 61.052 0.098 18399 4517 1 13 . 1 1 40 40 SER CB C 34 63.578 63.578 63.252 0.327 18399 4518 1 13 . 1 1 40 40 SER H H 34 8.054 8.054 7.803 0.251 18399 4519 1 13 . 1 1 41 41 GLU N N 35 116.449 116.449 120.109 -3.660 18399 4520 1 13 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.383 -0.016 18399 4521 1 13 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.533 -1.478 18399 4522 1 13 . 1 1 41 41 GLU CB C 35 30.544 30.544 29.964 0.580 18399 4523 1 13 . 1 1 41 41 GLU H H 35 8.908 8.908 7.817 1.091 18399 4524 1 13 . 1 1 42 42 GLY N N 36 108.168 108.168 108.393 -0.225 18399 4525 1 13 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.153 0.271 18399 4526 1 13 . 1 1 42 42 GLY H H 36 7.930 7.930 7.666 0.264 18399 4527 1 13 . 1 1 43 43 ILE N N 37 120.326 120.326 117.905 2.421 18399 4528 1 13 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.710 -0.980 18399 4529 1 13 . 1 1 43 43 ILE CB C 37 41.219 41.219 38.894 2.325 18399 4530 1 13 . 1 1 43 43 ILE H H 37 6.446 6.446 7.429 -0.983 18399 4531 1 13 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.618 -0.442 18399 4532 1 13 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.658 0.360 18399 4533 1 13 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.618 -0.459 18399 4534 1 13 . 1 1 45 45 GLY N N 39 111.710 111.710 110.495 1.215 18399 4535 1 13 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.669 0.937 18399 4536 1 13 . 1 1 45 45 GLY H H 39 9.228 9.228 8.630 0.598 18399 4537 1 13 . 1 1 46 46 ASN N N 40 114.967 114.967 114.735 0.232 18399 4538 1 13 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.667 -0.155 18399 4539 1 13 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.632 0.841 18399 4540 1 13 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.450 -1.940 18399 4541 1 13 . 1 1 46 46 ASN H H 40 8.325 8.325 8.023 0.302 18399 4542 1 13 . 1 1 47 47 MET N N 41 118.446 118.446 119.073 -0.627 18399 4543 1 13 . 1 1 47 47 MET HA H 41 4.557 4.557 4.511 0.046 18399 4544 1 13 . 1 1 47 47 MET CA C 41 54.886 54.886 56.144 -1.258 18399 4545 1 13 . 1 1 47 47 MET CB C 41 32.632 32.632 33.968 -1.336 18399 4546 1 13 . 1 1 47 47 MET H H 41 8.247 8.247 7.960 0.287 18399 4547 1 13 . 1 1 48 48 ILE N N 42 119.569 119.569 115.951 3.618 18399 4548 1 13 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.757 0.339 18399 4549 1 13 . 1 1 48 48 ILE CA C 42 62.749 62.749 62.004 0.745 18399 4550 1 13 . 1 1 48 48 ILE CB C 42 39.436 39.436 35.319 4.117 18399 4551 1 13 . 1 1 48 48 ILE H H 42 7.422 7.422 7.913 -0.491 18399 4552 1 13 . 1 1 49 49 ARG N N 43 127.179 127.179 121.471 5.708 18399 4553 1 13 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.652 -0.072 18399 4554 1 13 . 1 1 49 49 ARG CA C 43 53.962 53.962 53.832 0.130 18399 4555 1 13 . 1 1 49 49 ARG CB C 43 31.029 31.029 30.617 0.412 18399 4556 1 13 . 1 1 49 49 ARG H H 43 8.967 8.967 7.922 1.045 18399 4557 1 13 . 1 1 50 50 LEU N N 44 122.639 122.639 121.582 1.057 18399 4558 1 13 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.282 0.125 18399 4559 1 13 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.174 -0.479 18399 4560 1 13 . 1 1 50 50 LEU CB C 44 46.655 46.655 44.072 2.583 18399 4561 1 13 . 1 1 50 50 LEU H H 44 8.603 8.603 8.509 0.094 18399 4562 1 13 . 1 1 51 51 VAL N N 45 121.931 121.931 119.187 2.744 18399 4563 1 13 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.879 -0.171 18399 4564 1 13 . 1 1 51 51 VAL CA C 45 60.583 60.583 59.914 0.669 18399 4565 1 13 . 1 1 51 51 VAL CB C 45 34.601 34.601 34.692 -0.091 18399 4566 1 13 . 1 1 51 51 VAL H H 45 8.960 8.960 8.321 0.639 18399 4567 1 13 . 1 1 52 52 TYR N N 46 126.384 126.384 129.373 -2.989 18399 4568 1 13 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.894 0.195 18399 4569 1 13 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.580 -0.505 18399 4570 1 13 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.946 1.723 18399 4571 1 13 . 1 1 52 52 TYR H H 46 8.879 8.879 9.058 -0.179 18399 4572 1 13 . 1 1 53 53 GLN N N 47 127.041 127.041 128.217 -1.176 18399 4573 1 13 . 1 1 53 53 GLN HA H 47 3.656 3.656 3.978 -0.322 18399 4574 1 13 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.627 -0.353 18399 4575 1 13 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.796 -2.355 18399 4576 1 13 . 1 1 53 53 GLN H H 47 9.323 9.323 9.438 -0.115 18399 4577 1 13 . 1 1 54 54 GLY N N 48 102.991 102.991 101.897 1.094 18399 4578 1 13 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.282 0.091 18399 4579 1 13 . 1 1 54 54 GLY H H 48 8.358 8.358 8.556 -0.198 18399 4580 1 13 . 1 1 55 55 LYS N N 49 121.595 121.595 120.746 0.849 18399 4581 1 13 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.664 -0.047 18399 4582 1 13 . 1 1 55 55 LYS CA C 49 54.340 54.340 55.058 -0.718 18399 4583 1 13 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.716 -0.515 18399 4584 1 13 . 1 1 55 55 LYS H H 49 7.819 7.819 8.002 -0.183 18399 4585 1 13 . 1 1 56 56 GLN N N 50 122.484 122.484 119.524 2.960 18399 4586 1 13 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.665 -0.080 18399 4587 1 13 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.655 1.123 18399 4588 1 13 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.998 -2.297 18399 4589 1 13 . 1 1 56 56 GLN H H 50 8.757 8.757 8.424 0.333 18399 4590 1 13 . 1 1 57 57 LEU N N 51 125.130 125.130 120.947 4.183 18399 4591 1 13 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.092 0.208 18399 4592 1 13 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.463 -1.324 18399 4593 1 13 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.333 0.892 18399 4594 1 13 . 1 1 57 57 LEU H H 51 8.442 8.442 8.770 -0.328 18399 4595 1 13 . 1 1 58 58 GLU N N 52 122.551 122.551 120.380 2.171 18399 4596 1 13 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.476 -0.017 18399 4597 1 13 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.240 -0.130 18399 4598 1 13 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.234 0.812 18399 4599 1 13 . 1 1 58 58 GLU H H 52 8.125 8.125 8.527 -0.402 18399 4600 1 13 . 1 1 59 59 ASP N N 53 122.235 122.235 121.581 0.654 18399 4601 1 13 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.327 -0.182 18399 4602 1 13 . 1 1 59 59 ASP CA C 53 57.699 57.699 58.102 -0.403 18399 4603 1 13 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.855 0.156 18399 4604 1 13 . 1 1 59 59 ASP H H 53 8.346 8.346 8.775 -0.429 18399 4605 1 13 . 1 1 60 60 GLU N N 54 113.128 113.128 117.403 -4.275 18399 4606 1 13 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.112 0.203 18399 4607 1 13 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.312 -0.976 18399 4608 1 13 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.546 -0.504 18399 4609 1 13 . 1 1 60 60 GLU H H 54 8.756 8.756 8.495 0.261 18399 4610 1 13 . 1 1 61 61 LYS N N 55 119.869 119.869 119.445 0.424 18399 4611 1 13 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.372 -0.121 18399 4612 1 13 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.576 1.381 18399 4613 1 13 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.356 1.588 18399 4614 1 13 . 1 1 61 61 LYS H H 55 7.677 7.677 7.780 -0.103 18399 4615 1 13 . 1 1 62 62 ARG N N 56 117.724 117.724 120.197 -2.473 18399 4616 1 13 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.159 0.565 18399 4617 1 13 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.713 2.406 18399 4618 1 13 . 1 1 62 62 ARG H H 56 8.797 8.797 7.657 1.140 18399 4619 1 13 . 1 1 63 63 LEU N N 57 123.223 123.223 121.764 1.459 18399 4620 1 13 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.197 -0.159 18399 4621 1 13 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.452 1.972 18399 4622 1 13 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.688 -1.290 18399 4623 1 13 . 1 1 63 63 LEU H H 57 8.728 8.728 8.417 0.311 18399 4624 1 13 . 1 1 64 64 LYS N N 58 114.073 114.073 118.581 -4.508 18399 4625 1 13 . 1 1 64 64 LYS HA H 58 4.409 4.409 3.981 0.428 18399 4626 1 13 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.202 -1.368 18399 4627 1 13 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.630 -0.506 18399 4628 1 13 . 1 1 64 64 LYS H H 58 8.681 8.681 8.225 0.456 18399 4629 1 13 . 1 1 65 65 ASP N N 59 120.640 120.640 119.393 1.247 18399 4630 1 13 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.519 -0.100 18399 4631 1 13 . 1 1 65 65 ASP CA C 59 56.506 56.506 56.092 0.414 18399 4632 1 13 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.836 -0.788 18399 4633 1 13 . 1 1 65 65 ASP H H 59 7.862 7.862 8.129 -0.267 18399 4634 1 13 . 1 1 66 66 TYR N N 60 117.775 117.775 119.525 -1.750 18399 4635 1 13 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.249 0.367 18399 4636 1 13 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.387 -2.237 18399 4637 1 13 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.944 0.385 18399 4638 1 13 . 1 1 66 66 TYR H H 60 7.545 7.545 7.995 -0.450 18399 4639 1 13 . 1 1 67 67 GLN N N 61 117.450 117.450 117.581 -0.131 18399 4640 1 13 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.018 0.165 18399 4641 1 13 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.034 -0.417 18399 4642 1 13 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.669 -2.091 18399 4643 1 13 . 1 1 67 67 GLN H H 61 8.155 8.155 7.669 0.486 18399 4644 1 13 . 1 1 68 68 MET N N 62 120.193 120.193 118.231 1.962 18399 4645 1 13 . 1 1 68 68 MET HA H 62 4.470 4.470 4.390 0.080 18399 4646 1 13 . 1 1 68 68 MET CA C 62 55.767 55.767 55.683 0.084 18399 4647 1 13 . 1 1 68 68 MET CB C 62 33.105 33.105 32.713 0.392 18399 4648 1 13 . 1 1 68 68 MET H H 62 7.997 7.997 7.418 0.579 18399 4649 1 13 . 1 1 69 69 SER N N 63 116.722 116.722 111.762 4.960 18399 4650 1 13 . 1 1 69 69 SER HA H 63 4.530 4.530 4.166 0.364 18399 4651 1 13 . 1 1 69 69 SER CA C 63 57.654 57.654 59.688 -2.034 18399 4652 1 13 . 1 1 69 69 SER CB C 63 64.803 64.803 61.808 2.995 18399 4653 1 13 . 1 1 69 69 SER H H 63 8.073 8.073 8.522 -0.449 18399 4654 1 13 . 1 1 70 70 ALA N N 64 123.286 123.286 119.304 3.982 18399 4655 1 13 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.537 -0.281 18399 4656 1 13 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.264 1.302 18399 4657 1 13 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.520 -1.278 18399 4658 1 13 . 1 1 70 70 ALA H H 64 8.492 8.492 7.862 0.630 18399 4659 1 13 . 1 1 71 71 GLY N N 65 110.294 110.294 108.306 1.988 18399 4660 1 13 . 1 1 71 71 GLY CA C 65 45.127 45.127 45.159 -0.032 18399 4661 1 13 . 1 1 71 71 GLY H H 65 8.907 8.907 7.909 0.998 18399 4662 1 13 . 1 1 72 72 ALA N N 66 123.229 123.229 128.140 -4.911 18399 4663 1 13 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.208 0.080 18399 4664 1 13 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.159 0.717 18399 4665 1 13 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.426 0.400 18399 4666 1 13 . 1 1 72 72 ALA H H 66 7.572 7.572 8.612 -1.040 18399 4667 1 13 . 1 1 73 73 THR N N 67 116.161 116.161 114.801 1.360 18399 4668 1 13 . 1 1 73 73 THR HA H 67 5.060 5.060 4.506 0.554 18399 4669 1 13 . 1 1 73 73 THR CA C 67 61.493 61.493 60.288 1.205 18399 4670 1 13 . 1 1 73 73 THR CB C 67 71.022 71.022 71.208 -0.186 18399 4671 1 13 . 1 1 73 73 THR H H 67 8.253 8.253 8.591 -0.338 18399 4672 1 13 . 1 1 74 74 PHE N N 68 124.518 124.518 126.337 -1.819 18399 4673 1 13 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.217 0.152 18399 4674 1 13 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.282 -2.268 18399 4675 1 13 . 1 1 74 74 PHE CB C 68 40.893 40.893 42.015 -1.122 18399 4676 1 13 . 1 1 74 74 PHE H H 68 8.989 8.989 8.371 0.618 18399 4677 1 13 . 1 1 75 75 HIS N N 69 120.835 120.835 127.006 -6.171 18399 4678 1 13 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.874 0.272 18399 4679 1 13 . 1 1 75 75 HIS CA C 69 56.131 56.131 55.028 1.103 18399 4680 1 13 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.206 0.378 18399 4681 1 13 . 1 1 75 75 HIS H H 69 9.300 9.300 8.512 0.788 18399 4682 1 13 . 1 1 76 76 MET N N 70 122.731 122.731 122.574 0.157 18399 4683 1 13 . 1 1 76 76 MET HA H 70 5.199 5.199 4.673 0.526 18399 4684 1 13 . 1 1 76 76 MET CA C 70 54.683 54.683 54.813 -0.130 18399 4685 1 13 . 1 1 76 76 MET CB C 70 35.426 35.426 35.746 -0.320 18399 4686 1 13 . 1 1 76 76 MET H H 70 8.563 8.563 8.123 0.440 18399 4687 1 13 . 1 1 77 77 VAL N N 71 128.801 128.801 127.207 1.594 18399 4688 1 13 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.328 -0.051 18399 4689 1 13 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.881 0.462 18399 4690 1 13 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.224 1.432 18399 4691 1 13 . 1 1 77 77 VAL H H 71 9.118 9.118 8.524 0.594 18399 4692 1 13 . 1 1 78 78 VAL N N 72 125.528 125.528 128.372 -2.844 18399 4693 1 13 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.168 0.450 18399 4694 1 13 . 1 1 78 78 VAL CA C 72 61.485 61.485 60.937 0.548 18399 4695 1 13 . 1 1 78 78 VAL CB C 72 32.311 32.311 31.018 1.293 18399 4696 1 13 . 1 1 78 78 VAL H H 72 8.544 8.544 8.519 0.025 18399 4697 1 13 . 1 1 79 79 ALA N N 73 131.664 131.664 131.898 -0.234 18399 4698 1 13 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.628 -0.305 18399 4699 1 13 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.686 0.060 18399 4700 1 13 . 1 1 79 79 ALA CB C 73 19.445 19.445 18.927 0.518 18399 4701 1 13 . 1 1 79 79 ALA H H 73 8.957 8.957 8.491 0.466 18399 4702 1 13 . 1 1 80 80 LEU N N 74 120.722 120.722 122.843 -2.121 18399 4703 1 13 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.593 -0.314 18399 4704 1 13 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.444 -0.253 18399 4705 1 13 . 1 1 80 80 LEU CB C 74 42.356 42.356 42.710 -0.354 18399 4706 1 13 . 1 1 80 80 LEU H H 74 8.193 8.193 8.402 -0.209 18399 4707 1 13 . 1 1 81 81 ARG N N 75 121.022 121.022 120.248 0.774 18399 4708 1 13 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.455 -0.161 18399 4709 1 13 . 1 1 81 81 ARG CA C 75 55.604 55.604 56.222 -0.618 18399 4710 1 13 . 1 1 81 81 ARG CB C 75 30.856 30.856 31.199 -0.343 18399 4711 1 13 . 1 1 81 81 ARG H H 75 8.207 8.207 8.262 -0.055 18399 4712 1 13 . 1 1 82 82 ALA N N 76 125.815 125.815 121.367 4.448 18399 4713 1 13 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.450 -0.172 18399 4714 1 13 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.950 0.528 18399 4715 1 13 . 1 1 82 82 ALA CB C 76 18.813 18.813 20.351 -1.538 18399 4716 1 13 . 1 1 82 82 ALA H H 76 8.471 8.471 7.933 0.538 18399 4717 1 13 . 1 1 83 83 GLY N N 77 109.110 109.110 107.871 1.239 18399 4718 1 13 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.121 0.215 18399 4719 1 13 . 1 1 83 83 GLY H H 77 8.506 8.506 8.326 0.180 18399 4720 1 14 . 1 1 8 8 LEU N N 2 125.142 125.142 121.736 3.406 18399 4721 1 14 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.126 -0.652 18399 4722 1 14 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.893 1.382 18399 4723 1 14 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.655 -1.753 18399 4724 1 14 . 1 1 8 8 LEU H H 2 8.251 8.251 7.683 0.568 18399 4725 1 14 . 1 1 9 9 LEU N N 3 126.326 126.326 120.969 5.357 18399 4726 1 14 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.919 -0.123 18399 4727 1 14 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.271 -0.228 18399 4728 1 14 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.060 -1.552 18399 4729 1 14 . 1 1 9 9 LEU H H 3 8.307 8.307 8.138 0.169 18399 4730 1 14 . 1 1 10 10 LYS N N 4 121.349 121.349 123.858 -2.509 18399 4731 1 14 . 1 1 10 10 LYS HA H 4 5.080 5.080 4.991 0.089 18399 4732 1 14 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.562 0.070 18399 4733 1 14 . 1 1 10 10 LYS CB C 4 34.425 34.425 34.026 0.399 18399 4734 1 14 . 1 1 10 10 LYS H H 4 8.428 8.428 8.478 -0.050 18399 4735 1 14 . 1 1 11 11 VAL N N 5 122.408 122.408 122.037 0.371 18399 4736 1 14 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.843 -0.155 18399 4737 1 14 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.847 0.479 18399 4738 1 14 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.599 1.231 18399 4739 1 14 . 1 1 11 11 VAL H H 5 9.088 9.088 8.483 0.605 18399 4740 1 14 . 1 1 12 12 LYS N N 6 127.778 127.778 125.710 2.068 18399 4741 1 14 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.148 0.204 18399 4742 1 14 . 1 1 12 12 LYS CA C 6 54.675 54.675 53.675 1.000 18399 4743 1 14 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.581 -1.397 18399 4744 1 14 . 1 1 12 12 LYS H H 6 9.029 9.029 8.656 0.373 18399 4745 1 14 . 1 1 13 13 THR N N 7 116.723 116.723 117.897 -1.174 18399 4746 1 14 . 1 1 13 13 THR HA H 7 4.860 4.860 4.882 -0.022 18399 4747 1 14 . 1 1 13 13 THR CA C 7 60.392 60.392 59.934 0.458 18399 4748 1 14 . 1 1 13 13 THR CB C 7 71.189 71.189 70.437 0.752 18399 4749 1 14 . 1 1 13 13 THR H H 7 8.790 8.790 8.187 0.603 18399 4750 1 14 . 1 1 14 14 VAL N N 8 119.340 119.340 120.995 -1.655 18399 4751 1 14 . 1 1 14 14 VAL HA H 8 4.103 4.103 3.979 0.124 18399 4752 1 14 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.991 -0.279 18399 4753 1 14 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.272 -0.112 18399 4754 1 14 . 1 1 14 14 VAL H H 8 8.872 8.872 8.346 0.526 18399 4755 1 14 . 1 1 15 15 SER N N 9 114.630 114.630 112.855 1.775 18399 4756 1 14 . 1 1 15 15 SER HA H 9 4.513 4.513 4.511 0.002 18399 4757 1 14 . 1 1 15 15 SER CA C 9 57.913 57.913 58.409 -0.496 18399 4758 1 14 . 1 1 15 15 SER CB C 9 63.243 63.243 63.228 0.015 18399 4759 1 14 . 1 1 15 15 SER H H 9 7.859 7.859 8.080 -0.221 18399 4760 1 14 . 1 1 16 16 ASN N N 10 115.509 115.509 117.484 -1.975 18399 4761 1 14 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.501 -0.309 18399 4762 1 14 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.676 0.284 18399 4763 1 14 . 1 1 16 16 ASN CB C 10 36.295 36.295 36.902 -0.607 18399 4764 1 14 . 1 1 16 16 ASN H H 10 8.229 8.229 8.161 0.068 18399 4765 1 14 . 1 1 17 17 LYS N N 11 120.345 120.345 120.093 0.252 18399 4766 1 14 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.365 -0.110 18399 4767 1 14 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.336 1.011 18399 4768 1 14 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.341 0.595 18399 4769 1 14 . 1 1 17 17 LYS H H 11 7.315 7.315 7.583 -0.268 18399 4770 1 14 . 1 1 18 18 VAL N N 12 125.270 125.270 124.859 0.411 18399 4771 1 14 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.638 -0.001 18399 4772 1 14 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.615 0.134 18399 4773 1 14 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.530 -0.338 18399 4774 1 14 . 1 1 18 18 VAL H H 12 8.576 8.576 7.915 0.661 18399 4775 1 14 . 1 1 19 19 ILE N N 13 130.928 130.928 128.126 2.802 18399 4776 1 14 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.396 -0.243 18399 4777 1 14 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.487 0.958 18399 4778 1 14 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.476 0.719 18399 4779 1 14 . 1 1 19 19 ILE H H 13 9.486 9.486 8.878 0.608 18399 4780 1 14 . 1 1 20 20 GLN N N 14 124.762 124.762 126.961 -2.199 18399 4781 1 14 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.801 0.261 18399 4782 1 14 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.627 0.168 18399 4783 1 14 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.184 0.416 18399 4784 1 14 . 1 1 20 20 GLN H H 14 8.803 8.803 8.508 0.295 18399 4785 1 14 . 1 1 21 21 ILE N N 15 126.010 126.010 120.682 5.328 18399 4786 1 14 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.601 -0.088 18399 4787 1 14 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.593 0.046 18399 4788 1 14 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.574 -1.403 18399 4789 1 14 . 1 1 21 21 ILE H H 15 9.076 9.076 8.095 0.981 18399 4790 1 14 . 1 1 22 22 THR N N 16 118.074 118.074 117.424 0.650 18399 4791 1 14 . 1 1 22 22 THR HA H 16 4.904 4.904 4.490 0.414 18399 4792 1 14 . 1 1 22 22 THR CA C 16 61.462 61.462 61.748 -0.286 18399 4793 1 14 . 1 1 22 22 THR CB C 16 69.657 69.657 68.592 1.065 18399 4794 1 14 . 1 1 22 22 THR H H 16 9.047 9.047 8.512 0.535 18399 4795 1 14 . 1 1 23 23 SER N N 17 113.130 113.130 118.466 -5.336 18399 4796 1 14 . 1 1 23 23 SER HA H 17 4.440 4.440 4.607 -0.167 18399 4797 1 14 . 1 1 23 23 SER CA C 17 58.002 58.002 58.330 -0.328 18399 4798 1 14 . 1 1 23 23 SER CB C 17 64.268 64.268 63.728 0.540 18399 4799 1 14 . 1 1 23 23 SER H H 17 7.330 7.330 8.411 -1.081 18399 4800 1 14 . 1 1 24 24 LEU N N 18 123.241 123.241 124.303 -1.062 18399 4801 1 14 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.857 -0.118 18399 4802 1 14 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.766 0.092 18399 4803 1 14 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.851 -2.361 18399 4804 1 14 . 1 1 24 24 LEU H H 18 8.728 8.728 7.883 0.845 18399 4805 1 14 . 1 1 25 25 THR N N 19 111.915 111.915 115.958 -4.043 18399 4806 1 14 . 1 1 25 25 THR HA H 19 4.816 4.816 4.371 0.445 18399 4807 1 14 . 1 1 25 25 THR CA C 19 59.575 59.575 62.060 -2.485 18399 4808 1 14 . 1 1 25 25 THR CB C 19 72.043 72.043 69.857 2.186 18399 4809 1 14 . 1 1 25 25 THR H H 19 9.363 9.363 8.355 1.008 18399 4810 1 14 . 1 1 26 26 ASP N N 20 117.183 117.183 115.283 1.900 18399 4811 1 14 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.667 -0.334 18399 4812 1 14 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.672 2.057 18399 4813 1 14 . 1 1 26 26 ASP CB C 20 39.382 39.382 40.892 -1.510 18399 4814 1 14 . 1 1 26 26 ASP H H 20 8.785 8.785 8.346 0.439 18399 4815 1 14 . 1 1 27 27 ASP N N 21 116.327 116.327 118.770 -2.443 18399 4816 1 14 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.581 0.093 18399 4817 1 14 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.743 -1.973 18399 4818 1 14 . 1 1 27 27 ASP CB C 21 42.294 42.294 42.099 0.195 18399 4819 1 14 . 1 1 27 27 ASP H H 21 7.775 7.775 8.364 -0.589 18399 4820 1 14 . 1 1 28 28 ASN N N 22 117.269 117.269 113.293 3.976 18399 4821 1 14 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.798 0.094 18399 4822 1 14 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.126 1.684 18399 4823 1 14 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.603 0.498 18399 4824 1 14 . 1 1 28 28 ASN H H 22 7.829 7.829 8.562 -0.733 18399 4825 1 14 . 1 1 29 29 THR N N 23 108.639 108.639 114.860 -6.221 18399 4826 1 14 . 1 1 29 29 THR HA H 23 5.206 5.206 3.841 1.365 18399 4827 1 14 . 1 1 29 29 THR CA C 23 59.830 59.830 65.810 -5.980 18399 4828 1 14 . 1 1 29 29 THR CB C 23 72.396 72.396 68.025 4.371 18399 4829 1 14 . 1 1 29 29 THR H H 23 9.145 9.145 8.165 0.980 18399 4830 1 14 . 1 1 30 30 ILE N N 24 120.336 120.336 122.264 -1.928 18399 4831 1 14 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.883 -0.197 18399 4832 1 14 . 1 1 30 30 ILE CA C 24 61.580 61.580 64.925 -3.345 18399 4833 1 14 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.847 -4.503 18399 4834 1 14 . 1 1 30 30 ILE H H 24 8.477 8.477 8.116 0.361 18399 4835 1 14 . 1 1 31 31 ALA N N 25 123.489 123.489 122.671 0.818 18399 4836 1 14 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.071 -0.200 18399 4837 1 14 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.326 0.630 18399 4838 1 14 . 1 1 31 31 ALA CB C 25 18.160 18.160 17.892 0.268 18399 4839 1 14 . 1 1 31 31 ALA H H 25 8.951 8.951 7.722 1.229 18399 4840 1 14 . 1 1 32 32 GLU N N 26 120.101 120.101 119.423 0.678 18399 4841 1 14 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.171 -0.156 18399 4842 1 14 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.261 0.090 18399 4843 1 14 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.297 -0.575 18399 4844 1 14 . 1 1 32 32 GLU H H 26 7.988 7.988 8.528 -0.540 18399 4845 1 14 . 1 1 33 33 LEU N N 27 124.025 124.025 120.349 3.676 18399 4846 1 14 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.101 -0.068 18399 4847 1 14 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.862 0.800 18399 4848 1 14 . 1 1 33 33 LEU CB C 27 40.157 40.157 41.767 -1.610 18399 4849 1 14 . 1 1 33 33 LEU H H 27 8.083 8.083 7.636 0.447 18399 4850 1 14 . 1 1 34 34 LYS N N 28 119.471 119.471 118.670 0.801 18399 4851 1 14 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.130 -0.331 18399 4852 1 14 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.742 1.768 18399 4853 1 14 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.641 0.207 18399 4854 1 14 . 1 1 34 34 LYS H H 28 8.746 8.746 8.688 0.058 18399 4855 1 14 . 1 1 35 35 GLY N N 29 106.034 106.034 107.903 -1.869 18399 4856 1 14 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.883 0.159 18399 4857 1 14 . 1 1 35 35 GLY H H 29 8.096 8.096 8.424 -0.328 18399 4858 1 14 . 1 1 36 36 LYS N N 30 121.196 121.196 122.056 -0.860 18399 4859 1 14 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.143 0.094 18399 4860 1 14 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.534 -1.192 18399 4861 1 14 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.331 -1.798 18399 4862 1 14 . 1 1 36 36 LYS H H 30 7.704 7.704 7.837 -0.133 18399 4863 1 14 . 1 1 37 37 LEU N N 31 121.657 121.657 120.798 0.859 18399 4864 1 14 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.009 0.286 18399 4865 1 14 . 1 1 37 37 LEU CA C 31 57.282 57.282 58.088 -0.806 18399 4866 1 14 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.101 0.091 18399 4867 1 14 . 1 1 37 37 LEU H H 31 7.948 7.948 7.993 -0.045 18399 4868 1 14 . 1 1 38 38 GLU N N 32 123.295 123.295 118.391 4.904 18399 4869 1 14 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.977 0.377 18399 4870 1 14 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.805 0.499 18399 4871 1 14 . 1 1 38 38 GLU CB C 32 29.339 29.339 29.017 0.322 18399 4872 1 14 . 1 1 38 38 GLU H H 32 8.714 8.714 8.136 0.578 18399 4873 1 14 . 1 1 39 39 GLU N N 33 118.296 118.296 119.498 -1.202 18399 4874 1 14 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.116 -0.130 18399 4875 1 14 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.521 0.621 18399 4876 1 14 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.334 0.268 18399 4877 1 14 . 1 1 39 39 GLU H H 33 7.470 7.470 7.934 -0.464 18399 4878 1 14 . 1 1 40 40 SER N N 34 112.266 112.266 114.519 -2.253 18399 4879 1 14 . 1 1 40 40 SER CA C 34 61.150 61.150 60.982 0.168 18399 4880 1 14 . 1 1 40 40 SER CB C 34 63.578 63.578 63.253 0.325 18399 4881 1 14 . 1 1 40 40 SER H H 34 8.054 8.054 7.739 0.315 18399 4882 1 14 . 1 1 41 41 GLU N N 35 116.449 116.449 118.219 -1.770 18399 4883 1 14 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.400 -0.033 18399 4884 1 14 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.503 -1.447 18399 4885 1 14 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.516 0.028 18399 4886 1 14 . 1 1 41 41 GLU H H 35 8.908 8.908 7.778 1.130 18399 4887 1 14 . 1 1 42 42 GLY N N 36 108.168 108.168 108.787 -0.619 18399 4888 1 14 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.121 0.303 18399 4889 1 14 . 1 1 42 42 GLY H H 36 7.930 7.930 8.040 -0.110 18399 4890 1 14 . 1 1 43 43 ILE N N 37 120.326 120.326 117.471 2.855 18399 4891 1 14 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.568 -0.838 18399 4892 1 14 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.814 1.405 18399 4893 1 14 . 1 1 43 43 ILE H H 37 6.446 6.446 7.364 -0.918 18399 4894 1 14 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.613 -0.437 18399 4895 1 14 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.557 0.461 18399 4896 1 14 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.715 -0.556 18399 4897 1 14 . 1 1 45 45 GLY N N 39 111.710 111.710 110.315 1.395 18399 4898 1 14 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.839 0.767 18399 4899 1 14 . 1 1 45 45 GLY H H 39 9.228 9.228 8.778 0.450 18399 4900 1 14 . 1 1 46 46 ASN N N 40 114.967 114.967 114.941 0.026 18399 4901 1 14 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.658 -0.146 18399 4902 1 14 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.279 1.194 18399 4903 1 14 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.235 -1.725 18399 4904 1 14 . 1 1 46 46 ASN H H 40 8.325 8.325 7.965 0.360 18399 4905 1 14 . 1 1 47 47 MET N N 41 118.446 118.446 119.500 -1.054 18399 4906 1 14 . 1 1 47 47 MET HA H 41 4.557 4.557 4.485 0.072 18399 4907 1 14 . 1 1 47 47 MET CA C 41 54.886 54.886 56.531 -1.645 18399 4908 1 14 . 1 1 47 47 MET CB C 41 32.632 32.632 33.717 -1.085 18399 4909 1 14 . 1 1 47 47 MET H H 41 8.247 8.247 7.878 0.369 18399 4910 1 14 . 1 1 48 48 ILE N N 42 119.569 119.569 117.310 2.259 18399 4911 1 14 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.765 0.331 18399 4912 1 14 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.496 1.253 18399 4913 1 14 . 1 1 48 48 ILE CB C 42 39.436 39.436 34.923 4.513 18399 4914 1 14 . 1 1 48 48 ILE H H 42 7.422 7.422 7.862 -0.440 18399 4915 1 14 . 1 1 49 49 ARG N N 43 127.179 127.179 120.743 6.436 18399 4916 1 14 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.586 -0.006 18399 4917 1 14 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.703 -0.740 18399 4918 1 14 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.620 -1.591 18399 4919 1 14 . 1 1 49 49 ARG H H 43 8.967 8.967 7.838 1.129 18399 4920 1 14 . 1 1 50 50 LEU N N 44 122.639 122.639 121.030 1.609 18399 4921 1 14 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.080 0.327 18399 4922 1 14 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.416 -0.721 18399 4923 1 14 . 1 1 50 50 LEU CB C 44 46.655 46.655 44.059 2.596 18399 4924 1 14 . 1 1 50 50 LEU H H 44 8.603 8.603 8.410 0.193 18399 4925 1 14 . 1 1 51 51 VAL N N 45 121.931 121.931 118.873 3.058 18399 4926 1 14 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.810 -0.102 18399 4927 1 14 . 1 1 51 51 VAL CA C 45 60.583 60.583 61.202 -0.619 18399 4928 1 14 . 1 1 51 51 VAL CB C 45 34.601 34.601 33.301 1.300 18399 4929 1 14 . 1 1 51 51 VAL H H 45 8.960 8.960 8.582 0.378 18399 4930 1 14 . 1 1 52 52 TYR N N 46 126.384 126.384 128.628 -2.244 18399 4931 1 14 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.819 0.270 18399 4932 1 14 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.253 -0.178 18399 4933 1 14 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.980 1.689 18399 4934 1 14 . 1 1 52 52 TYR H H 46 8.879 8.879 8.942 -0.063 18399 4935 1 14 . 1 1 53 53 GLN N N 47 127.041 127.041 128.288 -1.247 18399 4936 1 14 . 1 1 53 53 GLN HA H 47 3.656 3.656 3.982 -0.326 18399 4937 1 14 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.526 -0.253 18399 4938 1 14 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.709 -2.268 18399 4939 1 14 . 1 1 53 53 GLN H H 47 9.323 9.323 9.533 -0.210 18399 4940 1 14 . 1 1 54 54 GLY N N 48 102.991 102.991 102.093 0.898 18399 4941 1 14 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.291 0.083 18399 4942 1 14 . 1 1 54 54 GLY H H 48 8.358 8.358 8.655 -0.297 18399 4943 1 14 . 1 1 55 55 LYS N N 49 121.595 121.595 121.271 0.324 18399 4944 1 14 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.686 -0.069 18399 4945 1 14 . 1 1 55 55 LYS CA C 49 54.340 54.340 54.772 -0.432 18399 4946 1 14 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.623 -0.422 18399 4947 1 14 . 1 1 55 55 LYS H H 49 7.819 7.819 7.983 -0.164 18399 4948 1 14 . 1 1 56 56 GLN N N 50 122.484 122.484 119.348 3.136 18399 4949 1 14 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.761 -0.176 18399 4950 1 14 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.728 1.050 18399 4951 1 14 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.604 -1.903 18399 4952 1 14 . 1 1 56 56 GLN H H 50 8.757 8.757 8.376 0.381 18399 4953 1 14 . 1 1 57 57 LEU N N 51 125.130 125.130 121.317 3.813 18399 4954 1 14 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.092 0.208 18399 4955 1 14 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.591 -1.452 18399 4956 1 14 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.457 0.768 18399 4957 1 14 . 1 1 57 57 LEU H H 51 8.442 8.442 8.733 -0.291 18399 4958 1 14 . 1 1 58 58 GLU N N 52 122.551 122.551 120.584 1.967 18399 4959 1 14 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.506 -0.047 18399 4960 1 14 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.292 -0.182 18399 4961 1 14 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.410 0.636 18399 4962 1 14 . 1 1 58 58 GLU H H 52 8.125 8.125 8.638 -0.513 18399 4963 1 14 . 1 1 59 59 ASP N N 53 122.235 122.235 122.042 0.193 18399 4964 1 14 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.375 -0.230 18399 4965 1 14 . 1 1 59 59 ASP CA C 53 57.699 57.699 57.926 -0.227 18399 4966 1 14 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.785 0.226 18399 4967 1 14 . 1 1 59 59 ASP H H 53 8.346 8.346 8.764 -0.418 18399 4968 1 14 . 1 1 60 60 GLU N N 54 113.128 113.128 117.513 -4.385 18399 4969 1 14 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.174 0.141 18399 4970 1 14 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.186 -0.850 18399 4971 1 14 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.640 -0.598 18399 4972 1 14 . 1 1 60 60 GLU H H 54 8.756 8.756 8.537 0.219 18399 4973 1 14 . 1 1 61 61 LYS N N 55 119.869 119.869 119.201 0.668 18399 4974 1 14 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.458 -0.207 18399 4975 1 14 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.700 1.257 18399 4976 1 14 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.555 1.389 18399 4977 1 14 . 1 1 61 61 LYS H H 55 7.677 7.677 7.666 0.011 18399 4978 1 14 . 1 1 62 62 ARG N N 56 117.724 117.724 120.115 -2.391 18399 4979 1 14 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.153 0.571 18399 4980 1 14 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.805 2.316 18399 4981 1 14 . 1 1 62 62 ARG H H 56 8.797 8.797 7.666 1.131 18399 4982 1 14 . 1 1 63 63 LEU N N 57 123.223 123.223 121.336 1.887 18399 4983 1 14 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.204 -0.166 18399 4984 1 14 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.436 1.988 18399 4985 1 14 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.617 -1.219 18399 4986 1 14 . 1 1 63 63 LEU H H 57 8.728 8.728 8.365 0.363 18399 4987 1 14 . 1 1 64 64 LYS N N 58 114.073 114.073 118.501 -4.428 18399 4988 1 14 . 1 1 64 64 LYS HA H 58 4.409 4.409 4.000 0.409 18399 4989 1 14 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.072 -1.238 18399 4990 1 14 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.595 -0.471 18399 4991 1 14 . 1 1 64 64 LYS H H 58 8.681 8.681 8.272 0.409 18399 4992 1 14 . 1 1 65 65 ASP N N 59 120.640 120.640 118.675 1.965 18399 4993 1 14 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.532 -0.113 18399 4994 1 14 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.741 0.765 18399 4995 1 14 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.972 -0.924 18399 4996 1 14 . 1 1 65 65 ASP H H 59 7.862 7.862 8.090 -0.228 18399 4997 1 14 . 1 1 66 66 TYR N N 60 117.775 117.775 120.049 -2.274 18399 4998 1 14 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.233 0.383 18399 4999 1 14 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.966 -2.816 18399 5000 1 14 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.969 0.360 18399 5001 1 14 . 1 1 66 66 TYR H H 60 7.545 7.545 7.934 -0.389 18399 5002 1 14 . 1 1 67 67 GLN N N 61 117.450 117.450 117.382 0.068 18399 5003 1 14 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.106 0.077 18399 5004 1 14 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.506 -0.889 18399 5005 1 14 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.111 -1.534 18399 5006 1 14 . 1 1 67 67 GLN H H 61 8.155 8.155 8.026 0.129 18399 5007 1 14 . 1 1 68 68 MET N N 62 120.193 120.193 118.268 1.925 18399 5008 1 14 . 1 1 68 68 MET HA H 62 4.470 4.470 4.355 0.115 18399 5009 1 14 . 1 1 68 68 MET CA C 62 55.767 55.767 55.421 0.346 18399 5010 1 14 . 1 1 68 68 MET CB C 62 33.105 33.105 32.754 0.351 18399 5011 1 14 . 1 1 68 68 MET H H 62 7.997 7.997 7.372 0.625 18399 5012 1 14 . 1 1 69 69 SER N N 63 116.722 116.722 111.517 5.205 18399 5013 1 14 . 1 1 69 69 SER HA H 63 4.530 4.530 4.153 0.377 18399 5014 1 14 . 1 1 69 69 SER CA C 63 57.654 57.654 59.673 -2.019 18399 5015 1 14 . 1 1 69 69 SER CB C 63 64.803 64.803 62.262 2.541 18399 5016 1 14 . 1 1 69 69 SER H H 63 8.073 8.073 8.569 -0.496 18399 5017 1 14 . 1 1 70 70 ALA N N 64 123.286 123.286 119.433 3.853 18399 5018 1 14 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.521 -0.265 18399 5019 1 14 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.235 1.331 18399 5020 1 14 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.625 -1.383 18399 5021 1 14 . 1 1 70 70 ALA H H 64 8.492 8.492 7.936 0.556 18399 5022 1 14 . 1 1 71 71 GLY N N 65 110.294 110.294 108.149 2.145 18399 5023 1 14 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.581 0.546 18399 5024 1 14 . 1 1 71 71 GLY H H 65 8.907 8.907 8.014 0.893 18399 5025 1 14 . 1 1 72 72 ALA N N 66 123.229 123.229 128.180 -4.951 18399 5026 1 14 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.221 0.068 18399 5027 1 14 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.213 0.663 18399 5028 1 14 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.449 0.377 18399 5029 1 14 . 1 1 72 72 ALA H H 66 7.572 7.572 8.639 -1.067 18399 5030 1 14 . 1 1 73 73 THR N N 67 116.161 116.161 114.756 1.405 18399 5031 1 14 . 1 1 73 73 THR HA H 67 5.060 5.060 4.395 0.665 18399 5032 1 14 . 1 1 73 73 THR CA C 67 61.493 61.493 60.287 1.206 18399 5033 1 14 . 1 1 73 73 THR CB C 67 71.022 71.022 71.195 -0.173 18399 5034 1 14 . 1 1 73 73 THR H H 67 8.253 8.253 8.671 -0.418 18399 5035 1 14 . 1 1 74 74 PHE N N 68 124.518 124.518 126.260 -1.742 18399 5036 1 14 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.234 0.135 18399 5037 1 14 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.026 -2.013 18399 5038 1 14 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.724 -0.831 18399 5039 1 14 . 1 1 74 74 PHE H H 68 8.989 8.989 8.438 0.551 18399 5040 1 14 . 1 1 75 75 HIS N N 69 120.835 120.835 127.082 -6.247 18399 5041 1 14 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.808 0.338 18399 5042 1 14 . 1 1 75 75 HIS CA C 69 56.131 56.131 55.083 1.048 18399 5043 1 14 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.245 0.339 18399 5044 1 14 . 1 1 75 75 HIS H H 69 9.300 9.300 8.726 0.574 18399 5045 1 14 . 1 1 76 76 MET N N 70 122.731 122.731 122.292 0.439 18399 5046 1 14 . 1 1 76 76 MET HA H 70 5.199 5.199 4.660 0.539 18399 5047 1 14 . 1 1 76 76 MET CA C 70 54.683 54.683 54.824 -0.141 18399 5048 1 14 . 1 1 76 76 MET CB C 70 35.426 35.426 35.626 -0.200 18399 5049 1 14 . 1 1 76 76 MET H H 70 8.563 8.563 8.355 0.208 18399 5050 1 14 . 1 1 77 77 VAL N N 71 128.801 128.801 126.740 2.061 18399 5051 1 14 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.340 -0.063 18399 5052 1 14 . 1 1 77 77 VAL CA C 71 61.343 61.343 61.397 -0.054 18399 5053 1 14 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.161 1.495 18399 5054 1 14 . 1 1 77 77 VAL H H 71 9.118 9.118 8.515 0.603 18399 5055 1 14 . 1 1 78 78 VAL N N 72 125.528 125.528 126.965 -1.437 18399 5056 1 14 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.370 0.248 18399 5057 1 14 . 1 1 78 78 VAL CA C 72 61.485 61.485 60.796 0.689 18399 5058 1 14 . 1 1 78 78 VAL CB C 72 32.311 32.311 32.769 -0.458 18399 5059 1 14 . 1 1 78 78 VAL H H 72 8.544 8.544 8.476 0.068 18399 5060 1 14 . 1 1 79 79 ALA N N 73 131.664 131.664 131.202 0.462 18399 5061 1 14 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.602 -0.279 18399 5062 1 14 . 1 1 79 79 ALA CA C 73 51.746 51.746 50.957 0.789 18399 5063 1 14 . 1 1 79 79 ALA CB C 73 19.445 19.445 19.448 -0.003 18399 5064 1 14 . 1 1 79 79 ALA H H 73 8.957 8.957 8.400 0.557 18399 5065 1 14 . 1 1 80 80 LEU N N 74 120.722 120.722 122.598 -1.876 18399 5066 1 14 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.079 0.200 18399 5067 1 14 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.376 -0.185 18399 5068 1 14 . 1 1 80 80 LEU CB C 74 42.356 42.356 41.156 1.200 18399 5069 1 14 . 1 1 80 80 LEU H H 74 8.193 8.193 8.681 -0.488 18399 5070 1 14 . 1 1 81 81 ARG N N 75 121.022 121.022 122.156 -1.134 18399 5071 1 14 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.475 -0.181 18399 5072 1 14 . 1 1 81 81 ARG CA C 75 55.604 55.604 56.115 -0.511 18399 5073 1 14 . 1 1 81 81 ARG CB C 75 30.856 30.856 31.766 -0.910 18399 5074 1 14 . 1 1 81 81 ARG H H 75 8.207 8.207 8.415 -0.208 18399 5075 1 14 . 1 1 82 82 ALA N N 76 125.815 125.815 121.616 4.199 18399 5076 1 14 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.550 -0.272 18399 5077 1 14 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.899 0.579 18399 5078 1 14 . 1 1 82 82 ALA CB C 76 18.813 18.813 20.127 -1.314 18399 5079 1 14 . 1 1 82 82 ALA H H 76 8.471 8.471 7.604 0.867 18399 5080 1 14 . 1 1 83 83 GLY N N 77 109.110 109.110 109.663 -0.553 18399 5081 1 14 . 1 1 83 83 GLY CA C 77 45.336 45.336 44.552 0.784 18399 5082 1 14 . 1 1 83 83 GLY H H 77 8.506 8.506 8.213 0.293 18399 5083 1 15 . 1 1 8 8 LEU N N 2 125.142 125.142 122.252 2.890 18399 5084 1 15 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.094 -0.620 18399 5085 1 15 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.998 1.277 18399 5086 1 15 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.954 -2.052 18399 5087 1 15 . 1 1 8 8 LEU H H 2 8.251 8.251 7.656 0.595 18399 5088 1 15 . 1 1 9 9 LEU N N 3 126.326 126.326 121.559 4.767 18399 5089 1 15 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.948 -0.152 18399 5090 1 15 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.272 -0.229 18399 5091 1 15 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.045 -1.537 18399 5092 1 15 . 1 1 9 9 LEU H H 3 8.307 8.307 8.164 0.143 18399 5093 1 15 . 1 1 10 10 LYS N N 4 121.349 121.349 123.516 -2.167 18399 5094 1 15 . 1 1 10 10 LYS HA H 4 5.080 5.080 5.026 0.054 18399 5095 1 15 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.811 -0.179 18399 5096 1 15 . 1 1 10 10 LYS CB C 4 34.425 34.425 33.919 0.506 18399 5097 1 15 . 1 1 10 10 LYS H H 4 8.428 8.428 8.475 -0.047 18399 5098 1 15 . 1 1 11 11 VAL N N 5 122.408 122.408 122.126 0.282 18399 5099 1 15 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.925 -0.237 18399 5100 1 15 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.880 0.445 18399 5101 1 15 . 1 1 11 11 VAL CB C 5 33.830 33.830 33.120 0.710 18399 5102 1 15 . 1 1 11 11 VAL H H 5 9.088 9.088 8.377 0.711 18399 5103 1 15 . 1 1 12 12 LYS N N 6 127.778 127.778 124.665 3.113 18399 5104 1 15 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.211 0.141 18399 5105 1 15 . 1 1 12 12 LYS CA C 6 54.675 54.675 53.876 0.799 18399 5106 1 15 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.501 -1.317 18399 5107 1 15 . 1 1 12 12 LYS H H 6 9.029 9.029 8.441 0.588 18399 5108 1 15 . 1 1 13 13 THR N N 7 116.723 116.723 117.060 -0.337 18399 5109 1 15 . 1 1 13 13 THR HA H 7 4.860 4.860 4.428 0.432 18399 5110 1 15 . 1 1 13 13 THR CA C 7 60.392 60.392 59.932 0.460 18399 5111 1 15 . 1 1 13 13 THR CB C 7 71.189 71.189 70.555 0.634 18399 5112 1 15 . 1 1 13 13 THR H H 7 8.790 8.790 7.978 0.812 18399 5113 1 15 . 1 1 14 14 VAL N N 8 119.340 119.340 123.308 -3.968 18399 5114 1 15 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.000 0.103 18399 5115 1 15 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.256 0.456 18399 5116 1 15 . 1 1 14 14 VAL CB C 8 31.160 31.160 32.067 -0.907 18399 5117 1 15 . 1 1 14 14 VAL H H 8 8.872 8.872 8.592 0.280 18399 5118 1 15 . 1 1 15 15 SER N N 9 114.630 114.630 114.171 0.459 18399 5119 1 15 . 1 1 15 15 SER HA H 9 4.513 4.513 4.420 0.093 18399 5120 1 15 . 1 1 15 15 SER CA C 9 57.913 57.913 58.684 -0.771 18399 5121 1 15 . 1 1 15 15 SER CB C 9 63.243 63.243 63.101 0.142 18399 5122 1 15 . 1 1 15 15 SER H H 9 7.859 7.859 7.852 0.007 18399 5123 1 15 . 1 1 16 16 ASN N N 10 115.509 115.509 117.964 -2.455 18399 5124 1 15 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.471 -0.279 18399 5125 1 15 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.825 0.136 18399 5126 1 15 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.426 -1.131 18399 5127 1 15 . 1 1 16 16 ASN H H 10 8.229 8.229 7.829 0.400 18399 5128 1 15 . 1 1 17 17 LYS N N 11 120.345 120.345 119.605 0.740 18399 5129 1 15 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.404 -0.149 18399 5130 1 15 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.219 1.128 18399 5131 1 15 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.504 0.432 18399 5132 1 15 . 1 1 17 17 LYS H H 11 7.315 7.315 7.699 -0.384 18399 5133 1 15 . 1 1 18 18 VAL N N 12 125.270 125.270 125.143 0.127 18399 5134 1 15 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.471 0.166 18399 5135 1 15 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.665 0.084 18399 5136 1 15 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.579 -0.387 18399 5137 1 15 . 1 1 18 18 VAL H H 12 8.576 8.576 8.091 0.485 18399 5138 1 15 . 1 1 19 19 ILE N N 13 130.928 130.928 128.001 2.927 18399 5139 1 15 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.422 -0.269 18399 5140 1 15 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.393 1.052 18399 5141 1 15 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.362 0.833 18399 5142 1 15 . 1 1 19 19 ILE H H 13 9.486 9.486 8.936 0.550 18399 5143 1 15 . 1 1 20 20 GLN N N 14 124.762 124.762 126.846 -2.084 18399 5144 1 15 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.842 0.220 18399 5145 1 15 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.739 0.056 18399 5146 1 15 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.461 0.140 18399 5147 1 15 . 1 1 20 20 GLN H H 14 8.803 8.803 8.518 0.285 18399 5148 1 15 . 1 1 21 21 ILE N N 15 126.010 126.010 120.783 5.227 18399 5149 1 15 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.632 -0.119 18399 5150 1 15 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.531 0.108 18399 5151 1 15 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.411 -1.240 18399 5152 1 15 . 1 1 21 21 ILE H H 15 9.076 9.076 8.092 0.984 18399 5153 1 15 . 1 1 22 22 THR N N 16 118.074 118.074 117.454 0.620 18399 5154 1 15 . 1 1 22 22 THR HA H 16 4.904 4.904 4.491 0.413 18399 5155 1 15 . 1 1 22 22 THR CA C 16 61.462 61.462 61.380 0.082 18399 5156 1 15 . 1 1 22 22 THR CB C 16 69.657 69.657 68.637 1.020 18399 5157 1 15 . 1 1 22 22 THR H H 16 9.047 9.047 8.428 0.619 18399 5158 1 15 . 1 1 23 23 SER N N 17 113.130 113.130 118.257 -5.127 18399 5159 1 15 . 1 1 23 23 SER HA H 17 4.440 4.440 4.603 -0.163 18399 5160 1 15 . 1 1 23 23 SER CA C 17 58.002 58.002 58.722 -0.720 18399 5161 1 15 . 1 1 23 23 SER CB C 17 64.268 64.268 63.923 0.344 18399 5162 1 15 . 1 1 23 23 SER H H 17 7.330 7.330 8.094 -0.764 18399 5163 1 15 . 1 1 24 24 LEU N N 18 123.241 123.241 126.126 -2.885 18399 5164 1 15 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.713 0.026 18399 5165 1 15 . 1 1 24 24 LEU CA C 18 53.858 53.858 54.158 -0.300 18399 5166 1 15 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.613 -2.123 18399 5167 1 15 . 1 1 24 24 LEU H H 18 8.728 8.728 7.665 1.063 18399 5168 1 15 . 1 1 25 25 THR N N 19 111.915 111.915 114.271 -2.356 18399 5169 1 15 . 1 1 25 25 THR HA H 19 4.816 4.816 4.366 0.450 18399 5170 1 15 . 1 1 25 25 THR CA C 19 59.575 59.575 61.114 -1.539 18399 5171 1 15 . 1 1 25 25 THR CB C 19 72.043 72.043 70.346 1.697 18399 5172 1 15 . 1 1 25 25 THR H H 19 9.363 9.363 8.526 0.837 18399 5173 1 15 . 1 1 26 26 ASP N N 20 117.183 117.183 115.656 1.527 18399 5174 1 15 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.590 -0.257 18399 5175 1 15 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.540 2.189 18399 5176 1 15 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.321 -1.939 18399 5177 1 15 . 1 1 26 26 ASP H H 20 8.785 8.785 8.381 0.404 18399 5178 1 15 . 1 1 27 27 ASP N N 21 116.327 116.327 118.665 -2.338 18399 5179 1 15 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.561 0.113 18399 5180 1 15 . 1 1 27 27 ASP CA C 21 54.770 54.770 57.072 -2.303 18399 5181 1 15 . 1 1 27 27 ASP CB C 21 42.294 42.294 41.996 0.298 18399 5182 1 15 . 1 1 27 27 ASP H H 21 7.775 7.775 8.408 -0.633 18399 5183 1 15 . 1 1 28 28 ASN N N 22 117.269 117.269 113.264 4.005 18399 5184 1 15 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.794 0.098 18399 5185 1 15 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.208 1.602 18399 5186 1 15 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.879 0.222 18399 5187 1 15 . 1 1 28 28 ASN H H 22 7.829 7.829 8.541 -0.712 18399 5188 1 15 . 1 1 29 29 THR N N 23 108.639 108.639 115.104 -6.465 18399 5189 1 15 . 1 1 29 29 THR HA H 23 5.206 5.206 3.856 1.350 18399 5190 1 15 . 1 1 29 29 THR CA C 23 59.830 59.830 65.666 -5.836 18399 5191 1 15 . 1 1 29 29 THR CB C 23 72.396 72.396 68.062 4.334 18399 5192 1 15 . 1 1 29 29 THR H H 23 9.145 9.145 8.114 1.031 18399 5193 1 15 . 1 1 30 30 ILE N N 24 120.336 120.336 122.312 -1.976 18399 5194 1 15 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.861 -0.175 18399 5195 1 15 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.109 -3.529 18399 5196 1 15 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.851 -4.507 18399 5197 1 15 . 1 1 30 30 ILE H H 24 8.477 8.477 8.125 0.352 18399 5198 1 15 . 1 1 31 31 ALA N N 25 123.489 123.489 122.490 0.999 18399 5199 1 15 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.157 -0.286 18399 5200 1 15 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.332 0.624 18399 5201 1 15 . 1 1 31 31 ALA CB C 25 18.160 18.160 18.152 0.008 18399 5202 1 15 . 1 1 31 31 ALA H H 25 8.951 8.951 7.702 1.249 18399 5203 1 15 . 1 1 32 32 GLU N N 26 120.101 120.101 119.152 0.949 18399 5204 1 15 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.155 -0.140 18399 5205 1 15 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.108 0.243 18399 5206 1 15 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.244 -0.522 18399 5207 1 15 . 1 1 32 32 GLU H H 26 7.988 7.988 8.555 -0.567 18399 5208 1 15 . 1 1 33 33 LEU N N 27 124.025 124.025 120.252 3.773 18399 5209 1 15 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.028 0.005 18399 5210 1 15 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.743 0.919 18399 5211 1 15 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.183 -2.026 18399 5212 1 15 . 1 1 33 33 LEU H H 27 8.083 8.083 7.728 0.355 18399 5213 1 15 . 1 1 34 34 LYS N N 28 119.471 119.471 118.380 1.091 18399 5214 1 15 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.135 -0.336 18399 5215 1 15 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.638 1.872 18399 5216 1 15 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.813 0.035 18399 5217 1 15 . 1 1 34 34 LYS H H 28 8.746 8.746 8.676 0.070 18399 5218 1 15 . 1 1 35 35 GLY N N 29 106.034 106.034 107.909 -1.875 18399 5219 1 15 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.866 0.176 18399 5220 1 15 . 1 1 35 35 GLY H H 29 8.096 8.096 8.409 -0.313 18399 5221 1 15 . 1 1 36 36 LYS N N 30 121.196 121.196 122.090 -0.894 18399 5222 1 15 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.131 0.106 18399 5223 1 15 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.687 -1.345 18399 5224 1 15 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.378 -1.845 18399 5225 1 15 . 1 1 36 36 LYS H H 30 7.704 7.704 7.834 -0.130 18399 5226 1 15 . 1 1 37 37 LEU N N 31 121.657 121.657 121.015 0.642 18399 5227 1 15 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.050 0.245 18399 5228 1 15 . 1 1 37 37 LEU CA C 31 57.282 57.282 57.968 -0.686 18399 5229 1 15 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.258 -0.065 18399 5230 1 15 . 1 1 37 37 LEU H H 31 7.948 7.948 7.951 -0.003 18399 5231 1 15 . 1 1 38 38 GLU N N 32 123.295 123.295 118.430 4.865 18399 5232 1 15 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.973 0.381 18399 5233 1 15 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.828 0.476 18399 5234 1 15 . 1 1 38 38 GLU CB C 32 29.339 29.339 29.024 0.315 18399 5235 1 15 . 1 1 38 38 GLU H H 32 8.714 8.714 8.073 0.641 18399 5236 1 15 . 1 1 39 39 GLU N N 33 118.296 118.296 119.881 -1.585 18399 5237 1 15 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.096 -0.110 18399 5238 1 15 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.791 0.351 18399 5239 1 15 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.544 0.058 18399 5240 1 15 . 1 1 39 39 GLU H H 33 7.470 7.470 7.956 -0.486 18399 5241 1 15 . 1 1 40 40 SER N N 34 112.266 112.266 114.733 -2.467 18399 5242 1 15 . 1 1 40 40 SER CA C 34 61.150 61.150 61.033 0.117 18399 5243 1 15 . 1 1 40 40 SER CB C 34 63.578 63.578 63.295 0.283 18399 5244 1 15 . 1 1 40 40 SER H H 34 8.054 8.054 7.798 0.256 18399 5245 1 15 . 1 1 41 41 GLU N N 35 116.449 116.449 119.672 -3.223 18399 5246 1 15 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.367 -0.000 18399 5247 1 15 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.444 -1.388 18399 5248 1 15 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.116 0.428 18399 5249 1 15 . 1 1 41 41 GLU H H 35 8.908 8.908 7.767 1.141 18399 5250 1 15 . 1 1 42 42 GLY N N 36 108.168 108.168 108.772 -0.604 18399 5251 1 15 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.123 0.301 18399 5252 1 15 . 1 1 42 42 GLY H H 36 7.930 7.930 8.027 -0.097 18399 5253 1 15 . 1 1 43 43 ILE N N 37 120.326 120.326 116.998 3.328 18399 5254 1 15 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.651 -0.921 18399 5255 1 15 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.306 1.913 18399 5256 1 15 . 1 1 43 43 ILE H H 37 6.446 6.446 7.251 -0.805 18399 5257 1 15 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.613 -0.437 18399 5258 1 15 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.549 0.469 18399 5259 1 15 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.751 -0.592 18399 5260 1 15 . 1 1 45 45 GLY N N 39 111.710 111.710 109.471 2.239 18399 5261 1 15 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.607 0.999 18399 5262 1 15 . 1 1 45 45 GLY H H 39 9.228 9.228 8.823 0.405 18399 5263 1 15 . 1 1 46 46 ASN N N 40 114.967 114.967 114.653 0.314 18399 5264 1 15 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.695 -0.183 18399 5265 1 15 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.473 1.000 18399 5266 1 15 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.214 -1.704 18399 5267 1 15 . 1 1 46 46 ASN H H 40 8.325 8.325 8.245 0.080 18399 5268 1 15 . 1 1 47 47 MET N N 41 118.446 118.446 119.363 -0.917 18399 5269 1 15 . 1 1 47 47 MET HA H 41 4.557 4.557 4.487 0.070 18399 5270 1 15 . 1 1 47 47 MET CA C 41 54.886 54.886 56.075 -1.189 18399 5271 1 15 . 1 1 47 47 MET CB C 41 32.632 32.632 33.953 -1.321 18399 5272 1 15 . 1 1 47 47 MET H H 41 8.247 8.247 8.012 0.235 18399 5273 1 15 . 1 1 48 48 ILE N N 42 119.569 119.569 117.164 2.405 18399 5274 1 15 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.784 0.312 18399 5275 1 15 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.595 1.154 18399 5276 1 15 . 1 1 48 48 ILE CB C 42 39.436 39.436 34.874 4.562 18399 5277 1 15 . 1 1 48 48 ILE H H 42 7.422 7.422 7.854 -0.432 18399 5278 1 15 . 1 1 49 49 ARG N N 43 127.179 127.179 121.178 6.001 18399 5279 1 15 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.563 0.017 18399 5280 1 15 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.720 -0.758 18399 5281 1 15 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.249 -1.220 18399 5282 1 15 . 1 1 49 49 ARG H H 43 8.967 8.967 7.832 1.135 18399 5283 1 15 . 1 1 50 50 LEU N N 44 122.639 122.639 122.438 0.201 18399 5284 1 15 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.280 0.127 18399 5285 1 15 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.450 -0.755 18399 5286 1 15 . 1 1 50 50 LEU CB C 44 46.655 46.655 44.198 2.457 18399 5287 1 15 . 1 1 50 50 LEU H H 44 8.603 8.603 8.473 0.130 18399 5288 1 15 . 1 1 51 51 VAL N N 45 121.931 121.931 118.938 2.993 18399 5289 1 15 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.800 -0.092 18399 5290 1 15 . 1 1 51 51 VAL CA C 45 60.583 60.583 61.300 -0.717 18399 5291 1 15 . 1 1 51 51 VAL CB C 45 34.601 34.601 33.403 1.198 18399 5292 1 15 . 1 1 51 51 VAL H H 45 8.960 8.960 8.253 0.707 18399 5293 1 15 . 1 1 52 52 TYR N N 46 126.384 126.384 128.731 -2.347 18399 5294 1 15 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.819 0.270 18399 5295 1 15 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.525 -0.450 18399 5296 1 15 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.813 1.856 18399 5297 1 15 . 1 1 52 52 TYR H H 46 8.879 8.879 8.873 0.006 18399 5298 1 15 . 1 1 53 53 GLN N N 47 127.041 127.041 128.041 -1.000 18399 5299 1 15 . 1 1 53 53 GLN HA H 47 3.656 3.656 4.046 -0.390 18399 5300 1 15 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.576 -0.302 18399 5301 1 15 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.199 -1.758 18399 5302 1 15 . 1 1 53 53 GLN H H 47 9.323 9.323 9.442 -0.119 18399 5303 1 15 . 1 1 54 54 GLY N N 48 102.991 102.991 101.994 0.997 18399 5304 1 15 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.270 0.103 18399 5305 1 15 . 1 1 54 54 GLY H H 48 8.358 8.358 8.549 -0.191 18399 5306 1 15 . 1 1 55 55 LYS N N 49 121.595 121.595 120.834 0.761 18399 5307 1 15 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.644 -0.027 18399 5308 1 15 . 1 1 55 55 LYS CA C 49 54.340 54.340 55.047 -0.707 18399 5309 1 15 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.623 -0.422 18399 5310 1 15 . 1 1 55 55 LYS H H 49 7.819 7.819 7.995 -0.176 18399 5311 1 15 . 1 1 56 56 GLN N N 50 122.484 122.484 119.712 2.772 18399 5312 1 15 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.687 -0.102 18399 5313 1 15 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.610 1.168 18399 5314 1 15 . 1 1 56 56 GLN CB C 50 28.701 28.701 31.051 -2.350 18399 5315 1 15 . 1 1 56 56 GLN H H 50 8.757 8.757 8.449 0.308 18399 5316 1 15 . 1 1 57 57 LEU N N 51 125.130 125.130 120.057 5.073 18399 5317 1 15 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.012 0.288 18399 5318 1 15 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.211 -1.072 18399 5319 1 15 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.242 0.983 18399 5320 1 15 . 1 1 57 57 LEU H H 51 8.442 8.442 8.972 -0.530 18399 5321 1 15 . 1 1 58 58 GLU N N 52 122.551 122.551 121.524 1.027 18399 5322 1 15 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.486 -0.027 18399 5323 1 15 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.644 -0.534 18399 5324 1 15 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.282 0.764 18399 5325 1 15 . 1 1 58 58 GLU H H 52 8.125 8.125 8.828 -0.703 18399 5326 1 15 . 1 1 59 59 ASP N N 53 122.235 122.235 122.118 0.117 18399 5327 1 15 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.366 -0.221 18399 5328 1 15 . 1 1 59 59 ASP CA C 53 57.699 57.699 57.726 -0.027 18399 5329 1 15 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.771 0.240 18399 5330 1 15 . 1 1 59 59 ASP H H 53 8.346 8.346 8.673 -0.327 18399 5331 1 15 . 1 1 60 60 GLU N N 54 113.128 113.128 116.693 -3.565 18399 5332 1 15 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.119 0.196 18399 5333 1 15 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.325 -0.989 18399 5334 1 15 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.458 -0.416 18399 5335 1 15 . 1 1 60 60 GLU H H 54 8.756 8.756 8.574 0.182 18399 5336 1 15 . 1 1 61 61 LYS N N 55 119.869 119.869 119.313 0.556 18399 5337 1 15 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.397 -0.146 18399 5338 1 15 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.637 1.320 18399 5339 1 15 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.478 1.466 18399 5340 1 15 . 1 1 61 61 LYS H H 55 7.677 7.677 7.745 -0.068 18399 5341 1 15 . 1 1 62 62 ARG N N 56 117.724 117.724 120.209 -2.485 18399 5342 1 15 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.177 0.547 18399 5343 1 15 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.736 2.384 18399 5344 1 15 . 1 1 62 62 ARG H H 56 8.797 8.797 7.672 1.125 18399 5345 1 15 . 1 1 63 63 LEU N N 57 123.223 123.223 121.740 1.483 18399 5346 1 15 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.211 -0.173 18399 5347 1 15 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.404 2.020 18399 5348 1 15 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.697 -1.299 18399 5349 1 15 . 1 1 63 63 LEU H H 57 8.728 8.728 8.416 0.312 18399 5350 1 15 . 1 1 64 64 LYS N N 58 114.073 114.073 118.562 -4.489 18399 5351 1 15 . 1 1 64 64 LYS HA H 58 4.409 4.409 3.992 0.417 18399 5352 1 15 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.170 -1.336 18399 5353 1 15 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.606 -0.482 18399 5354 1 15 . 1 1 64 64 LYS H H 58 8.681 8.681 8.254 0.427 18399 5355 1 15 . 1 1 65 65 ASP N N 59 120.640 120.640 118.859 1.781 18399 5356 1 15 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.549 -0.130 18399 5357 1 15 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.874 0.631 18399 5358 1 15 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.860 -0.812 18399 5359 1 15 . 1 1 65 65 ASP H H 59 7.862 7.862 8.181 -0.319 18399 5360 1 15 . 1 1 66 66 TYR N N 60 117.775 117.775 120.778 -3.003 18399 5361 1 15 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.300 0.316 18399 5362 1 15 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.549 -2.399 18399 5363 1 15 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.876 0.453 18399 5364 1 15 . 1 1 66 66 TYR H H 60 7.545 7.545 8.038 -0.493 18399 5365 1 15 . 1 1 67 67 GLN N N 61 117.450 117.450 116.263 1.187 18399 5366 1 15 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.119 0.064 18399 5367 1 15 . 1 1 67 67 GLN CA C 61 56.617 56.617 56.750 -0.133 18399 5368 1 15 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.310 -1.732 18399 5369 1 15 . 1 1 67 67 GLN H H 61 8.155 8.155 7.733 0.422 18399 5370 1 15 . 1 1 68 68 MET N N 62 120.193 120.193 117.561 2.632 18399 5371 1 15 . 1 1 68 68 MET HA H 62 4.470 4.470 4.441 0.029 18399 5372 1 15 . 1 1 68 68 MET CA C 62 55.767 55.767 55.661 0.106 18399 5373 1 15 . 1 1 68 68 MET CB C 62 33.105 33.105 32.701 0.404 18399 5374 1 15 . 1 1 68 68 MET H H 62 7.997 7.997 7.401 0.596 18399 5375 1 15 . 1 1 69 69 SER N N 63 116.722 116.722 112.346 4.376 18399 5376 1 15 . 1 1 69 69 SER HA H 63 4.530 4.530 4.197 0.333 18399 5377 1 15 . 1 1 69 69 SER CA C 63 57.654 57.654 59.504 -1.849 18399 5378 1 15 . 1 1 69 69 SER CB C 63 64.803 64.803 62.301 2.502 18399 5379 1 15 . 1 1 69 69 SER H H 63 8.073 8.073 8.651 -0.578 18399 5380 1 15 . 1 1 70 70 ALA N N 64 123.286 123.286 120.524 2.762 18399 5381 1 15 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.448 -0.192 18399 5382 1 15 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.018 1.548 18399 5383 1 15 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.501 -1.259 18399 5384 1 15 . 1 1 70 70 ALA H H 64 8.492 8.492 8.029 0.463 18399 5385 1 15 . 1 1 71 71 GLY N N 65 110.294 110.294 107.816 2.478 18399 5386 1 15 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.511 0.616 18399 5387 1 15 . 1 1 71 71 GLY H H 65 8.907 8.907 8.123 0.784 18399 5388 1 15 . 1 1 72 72 ALA N N 66 123.229 123.229 129.025 -5.796 18399 5389 1 15 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.257 0.031 18399 5390 1 15 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.205 0.671 18399 5391 1 15 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.450 0.376 18399 5392 1 15 . 1 1 72 72 ALA H H 66 7.572 7.572 8.691 -1.119 18399 5393 1 15 . 1 1 73 73 THR N N 67 116.161 116.161 115.432 0.729 18399 5394 1 15 . 1 1 73 73 THR HA H 67 5.060 5.060 4.424 0.636 18399 5395 1 15 . 1 1 73 73 THR CA C 67 61.493 61.493 59.870 1.623 18399 5396 1 15 . 1 1 73 73 THR CB C 67 71.022 71.022 70.842 0.180 18399 5397 1 15 . 1 1 73 73 THR H H 67 8.253 8.253 8.611 -0.358 18399 5398 1 15 . 1 1 74 74 PHE N N 68 124.518 124.518 125.969 -1.451 18399 5399 1 15 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.194 0.175 18399 5400 1 15 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.373 -2.360 18399 5401 1 15 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.812 -0.919 18399 5402 1 15 . 1 1 74 74 PHE H H 68 8.989 8.989 8.361 0.628 18399 5403 1 15 . 1 1 75 75 HIS N N 69 120.835 120.835 126.392 -5.557 18399 5404 1 15 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.832 0.314 18399 5405 1 15 . 1 1 75 75 HIS CA C 69 56.131 56.131 54.704 1.427 18399 5406 1 15 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.961 -0.377 18399 5407 1 15 . 1 1 75 75 HIS H H 69 9.300 9.300 8.599 0.701 18399 5408 1 15 . 1 1 76 76 MET N N 70 122.731 122.731 122.552 0.179 18399 5409 1 15 . 1 1 76 76 MET HA H 70 5.199 5.199 4.639 0.560 18399 5410 1 15 . 1 1 76 76 MET CA C 70 54.683 54.683 54.726 -0.043 18399 5411 1 15 . 1 1 76 76 MET CB C 70 35.426 35.426 36.024 -0.598 18399 5412 1 15 . 1 1 76 76 MET H H 70 8.563 8.563 8.236 0.327 18399 5413 1 15 . 1 1 77 77 VAL N N 71 128.801 128.801 126.052 2.749 18399 5414 1 15 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.426 -0.149 18399 5415 1 15 . 1 1 77 77 VAL CA C 71 61.343 61.343 59.759 1.584 18399 5416 1 15 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.364 1.292 18399 5417 1 15 . 1 1 77 77 VAL H H 71 9.118 9.118 8.543 0.575 18399 5418 1 15 . 1 1 78 78 VAL N N 72 125.528 125.528 129.605 -4.077 18399 5419 1 15 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.202 0.416 18399 5420 1 15 . 1 1 78 78 VAL CA C 72 61.485 61.485 61.748 -0.264 18399 5421 1 15 . 1 1 78 78 VAL CB C 72 32.311 32.311 31.127 1.184 18399 5422 1 15 . 1 1 78 78 VAL H H 72 8.544 8.544 8.426 0.118 18399 5423 1 15 . 1 1 79 79 ALA N N 73 131.664 131.664 130.840 0.824 18399 5424 1 15 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.676 -0.353 18399 5425 1 15 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.760 -0.014 18399 5426 1 15 . 1 1 79 79 ALA CB C 73 19.445 19.445 18.783 0.662 18399 5427 1 15 . 1 1 79 79 ALA H H 73 8.957 8.957 8.651 0.306 18399 5428 1 15 . 1 1 80 80 LEU N N 74 120.722 120.722 121.803 -1.081 18399 5429 1 15 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.421 -0.142 18399 5430 1 15 . 1 1 80 80 LEU CA C 74 55.191 55.191 54.867 0.324 18399 5431 1 15 . 1 1 80 80 LEU CB C 74 42.356 42.356 42.509 -0.153 18399 5432 1 15 . 1 1 80 80 LEU H H 74 8.193 8.193 8.580 -0.387 18399 5433 1 15 . 1 1 81 81 ARG N N 75 121.022 121.022 117.697 3.325 18399 5434 1 15 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.055 0.239 18399 5435 1 15 . 1 1 81 81 ARG CA C 75 55.604 55.604 56.772 -1.168 18399 5436 1 15 . 1 1 81 81 ARG CB C 75 30.856 30.856 29.748 1.108 18399 5437 1 15 . 1 1 81 81 ARG H H 75 8.207 8.207 8.015 0.192 18399 5438 1 15 . 1 1 82 82 ALA N N 76 125.815 125.815 121.281 4.534 18399 5439 1 15 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.444 -0.166 18399 5440 1 15 . 1 1 82 82 ALA CA C 76 52.478 52.478 52.094 0.384 18399 5441 1 15 . 1 1 82 82 ALA CB C 76 18.813 18.813 20.212 -1.399 18399 5442 1 15 . 1 1 82 82 ALA H H 76 8.471 8.471 8.239 0.232 18399 5443 1 15 . 1 1 83 83 GLY N N 77 109.110 109.110 107.398 1.712 18399 5444 1 15 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.361 -0.025 18399 5445 1 15 . 1 1 83 83 GLY H H 77 8.506 8.506 9.625 -1.119 18399 5446 1 16 . 1 1 8 8 LEU N N 2 125.142 125.142 122.721 2.421 18399 5447 1 16 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.073 -0.599 18399 5448 1 16 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.901 1.374 18399 5449 1 16 . 1 1 8 8 LEU CB C 2 41.902 41.902 44.094 -2.192 18399 5450 1 16 . 1 1 8 8 LEU H H 2 8.251 8.251 7.672 0.579 18399 5451 1 16 . 1 1 9 9 LEU N N 3 126.326 126.326 121.266 5.060 18399 5452 1 16 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.963 -0.167 18399 5453 1 16 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.323 -0.280 18399 5454 1 16 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.115 -1.607 18399 5455 1 16 . 1 1 9 9 LEU H H 3 8.307 8.307 8.317 -0.010 18399 5456 1 16 . 1 1 10 10 LYS N N 4 121.349 121.349 123.807 -2.458 18399 5457 1 16 . 1 1 10 10 LYS HA H 4 5.080 5.080 5.053 0.027 18399 5458 1 16 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.528 0.104 18399 5459 1 16 . 1 1 10 10 LYS CB C 4 34.425 34.425 34.308 0.117 18399 5460 1 16 . 1 1 10 10 LYS H H 4 8.428 8.428 8.568 -0.140 18399 5461 1 16 . 1 1 11 11 VAL N N 5 122.408 122.408 122.886 -0.478 18399 5462 1 16 . 1 1 11 11 VAL HA H 5 4.688 4.688 5.059 -0.371 18399 5463 1 16 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.209 1.117 18399 5464 1 16 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.934 0.896 18399 5465 1 16 . 1 1 11 11 VAL H H 5 9.088 9.088 8.398 0.690 18399 5466 1 16 . 1 1 12 12 LYS N N 6 127.778 127.778 124.312 3.466 18399 5467 1 16 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.223 0.129 18399 5468 1 16 . 1 1 12 12 LYS CA C 6 54.675 54.675 54.097 0.578 18399 5469 1 16 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.370 -1.185 18399 5470 1 16 . 1 1 12 12 LYS H H 6 9.029 9.029 8.487 0.542 18399 5471 1 16 . 1 1 13 13 THR N N 7 116.723 116.723 116.749 -0.026 18399 5472 1 16 . 1 1 13 13 THR HA H 7 4.860 4.860 4.400 0.460 18399 5473 1 16 . 1 1 13 13 THR CA C 7 60.392 60.392 59.467 0.925 18399 5474 1 16 . 1 1 13 13 THR CB C 7 71.189 71.189 70.635 0.554 18399 5475 1 16 . 1 1 13 13 THR H H 7 8.790 8.790 8.089 0.701 18399 5476 1 16 . 1 1 14 14 VAL N N 8 119.340 119.340 123.271 -3.931 18399 5477 1 16 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.018 0.085 18399 5478 1 16 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.380 0.332 18399 5479 1 16 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.603 -0.443 18399 5480 1 16 . 1 1 14 14 VAL H H 8 8.872 8.872 8.624 0.248 18399 5481 1 16 . 1 1 15 15 SER N N 9 114.630 114.630 113.378 1.252 18399 5482 1 16 . 1 1 15 15 SER HA H 9 4.513 4.513 4.434 0.079 18399 5483 1 16 . 1 1 15 15 SER CA C 9 57.913 57.913 58.497 -0.584 18399 5484 1 16 . 1 1 15 15 SER CB C 9 63.243 63.243 63.037 0.206 18399 5485 1 16 . 1 1 15 15 SER H H 9 7.859 7.859 7.765 0.094 18399 5486 1 16 . 1 1 16 16 ASN N N 10 115.509 115.509 117.878 -2.369 18399 5487 1 16 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.479 -0.287 18399 5488 1 16 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.643 0.318 18399 5489 1 16 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.724 -1.429 18399 5490 1 16 . 1 1 16 16 ASN H H 10 8.229 8.229 7.835 0.394 18399 5491 1 16 . 1 1 17 17 LYS N N 11 120.345 120.345 119.980 0.365 18399 5492 1 16 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.402 -0.147 18399 5493 1 16 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.222 1.125 18399 5494 1 16 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.612 0.324 18399 5495 1 16 . 1 1 17 17 LYS H H 11 7.315 7.315 7.706 -0.391 18399 5496 1 16 . 1 1 18 18 VAL N N 12 125.270 125.270 125.006 0.264 18399 5497 1 16 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.536 0.101 18399 5498 1 16 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.511 0.238 18399 5499 1 16 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.419 -0.227 18399 5500 1 16 . 1 1 18 18 VAL H H 12 8.576 8.576 8.086 0.490 18399 5501 1 16 . 1 1 19 19 ILE N N 13 130.928 130.928 128.353 2.575 18399 5502 1 16 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.396 -0.243 18399 5503 1 16 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.395 1.050 18399 5504 1 16 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.109 1.086 18399 5505 1 16 . 1 1 19 19 ILE H H 13 9.486 9.486 8.867 0.619 18399 5506 1 16 . 1 1 20 20 GLN N N 14 124.762 124.762 127.133 -2.371 18399 5507 1 16 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.863 0.199 18399 5508 1 16 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.597 0.198 18399 5509 1 16 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.254 0.347 18399 5510 1 16 . 1 1 20 20 GLN H H 14 8.803 8.803 8.545 0.258 18399 5511 1 16 . 1 1 21 21 ILE N N 15 126.010 126.010 121.086 4.924 18399 5512 1 16 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.628 -0.115 18399 5513 1 16 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.684 -0.045 18399 5514 1 16 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.428 -1.257 18399 5515 1 16 . 1 1 21 21 ILE H H 15 9.076 9.076 8.138 0.938 18399 5516 1 16 . 1 1 22 22 THR N N 16 118.074 118.074 117.535 0.539 18399 5517 1 16 . 1 1 22 22 THR HA H 16 4.904 4.904 4.596 0.308 18399 5518 1 16 . 1 1 22 22 THR CA C 16 61.462 61.462 61.527 -0.065 18399 5519 1 16 . 1 1 22 22 THR CB C 16 69.657 69.657 68.358 1.299 18399 5520 1 16 . 1 1 22 22 THR H H 16 9.047 9.047 8.449 0.598 18399 5521 1 16 . 1 1 23 23 SER N N 17 113.130 113.130 118.678 -5.548 18399 5522 1 16 . 1 1 23 23 SER HA H 17 4.440 4.440 4.637 -0.197 18399 5523 1 16 . 1 1 23 23 SER CA C 17 58.002 58.002 58.601 -0.599 18399 5524 1 16 . 1 1 23 23 SER CB C 17 64.268 64.268 63.444 0.824 18399 5525 1 16 . 1 1 23 23 SER H H 17 7.330 7.330 8.110 -0.780 18399 5526 1 16 . 1 1 24 24 LEU N N 18 123.241 123.241 125.969 -2.728 18399 5527 1 16 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.708 0.031 18399 5528 1 16 . 1 1 24 24 LEU CA C 18 53.858 53.858 54.069 -0.211 18399 5529 1 16 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.730 -2.240 18399 5530 1 16 . 1 1 24 24 LEU H H 18 8.728 8.728 7.698 1.030 18399 5531 1 16 . 1 1 25 25 THR N N 19 111.915 111.915 114.479 -2.564 18399 5532 1 16 . 1 1 25 25 THR HA H 19 4.816 4.816 4.327 0.489 18399 5533 1 16 . 1 1 25 25 THR CA C 19 59.575 59.575 61.051 -1.476 18399 5534 1 16 . 1 1 25 25 THR CB C 19 72.043 72.043 70.194 1.849 18399 5535 1 16 . 1 1 25 25 THR H H 19 9.363 9.363 8.503 0.860 18399 5536 1 16 . 1 1 26 26 ASP N N 20 117.183 117.183 115.534 1.649 18399 5537 1 16 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.605 -0.272 18399 5538 1 16 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.290 2.439 18399 5539 1 16 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.094 -1.712 18399 5540 1 16 . 1 1 26 26 ASP H H 20 8.785 8.785 8.318 0.467 18399 5541 1 16 . 1 1 27 27 ASP N N 21 116.327 116.327 119.461 -3.134 18399 5542 1 16 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.600 0.074 18399 5543 1 16 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.498 -1.728 18399 5544 1 16 . 1 1 27 27 ASP CB C 21 42.294 42.294 42.082 0.212 18399 5545 1 16 . 1 1 27 27 ASP H H 21 7.775 7.775 8.365 -0.590 18399 5546 1 16 . 1 1 28 28 ASN N N 22 117.269 117.269 113.486 3.783 18399 5547 1 16 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.803 0.089 18399 5548 1 16 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.279 1.531 18399 5549 1 16 . 1 1 28 28 ASN CB C 22 41.101 41.101 41.231 -0.130 18399 5550 1 16 . 1 1 28 28 ASN H H 22 7.829 7.829 8.467 -0.638 18399 5551 1 16 . 1 1 29 29 THR N N 23 108.639 108.639 114.636 -5.997 18399 5552 1 16 . 1 1 29 29 THR HA H 23 5.206 5.206 3.835 1.371 18399 5553 1 16 . 1 1 29 29 THR CA C 23 59.830 59.830 66.117 -6.287 18399 5554 1 16 . 1 1 29 29 THR CB C 23 72.396 72.396 67.625 4.771 18399 5555 1 16 . 1 1 29 29 THR H H 23 9.145 9.145 8.090 1.055 18399 5556 1 16 . 1 1 30 30 ILE N N 24 120.336 120.336 122.996 -2.660 18399 5557 1 16 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.705 -0.019 18399 5558 1 16 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.131 -3.551 18399 5559 1 16 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.578 -4.234 18399 5560 1 16 . 1 1 30 30 ILE H H 24 8.477 8.477 8.160 0.317 18399 5561 1 16 . 1 1 31 31 ALA N N 25 123.489 123.489 122.319 1.170 18399 5562 1 16 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.116 -0.245 18399 5563 1 16 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.295 0.661 18399 5564 1 16 . 1 1 31 31 ALA CB C 25 18.160 18.160 18.009 0.151 18399 5565 1 16 . 1 1 31 31 ALA H H 25 8.951 8.951 7.671 1.280 18399 5566 1 16 . 1 1 32 32 GLU N N 26 120.101 120.101 119.434 0.667 18399 5567 1 16 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.154 -0.139 18399 5568 1 16 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.203 0.148 18399 5569 1 16 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.297 -0.576 18399 5570 1 16 . 1 1 32 32 GLU H H 26 7.988 7.988 8.469 -0.481 18399 5571 1 16 . 1 1 33 33 LEU N N 27 124.025 124.025 120.372 3.653 18399 5572 1 16 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.085 -0.052 18399 5573 1 16 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.837 0.825 18399 5574 1 16 . 1 1 33 33 LEU CB C 27 40.157 40.157 41.706 -1.549 18399 5575 1 16 . 1 1 33 33 LEU H H 27 8.083 8.083 7.882 0.201 18399 5576 1 16 . 1 1 34 34 LYS N N 28 119.471 119.471 118.634 0.837 18399 5577 1 16 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.136 -0.337 18399 5578 1 16 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.721 1.789 18399 5579 1 16 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.794 0.054 18399 5580 1 16 . 1 1 34 34 LYS H H 28 8.746 8.746 8.695 0.051 18399 5581 1 16 . 1 1 35 35 GLY N N 29 106.034 106.034 107.871 -1.837 18399 5582 1 16 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.873 0.169 18399 5583 1 16 . 1 1 35 35 GLY H H 29 8.096 8.096 8.478 -0.382 18399 5584 1 16 . 1 1 36 36 LYS N N 30 121.196 121.196 122.017 -0.821 18399 5585 1 16 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.128 0.109 18399 5586 1 16 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.583 -1.241 18399 5587 1 16 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.317 -1.784 18399 5588 1 16 . 1 1 36 36 LYS H H 30 7.704 7.704 7.839 -0.135 18399 5589 1 16 . 1 1 37 37 LEU N N 31 121.657 121.657 120.800 0.857 18399 5590 1 16 . 1 1 37 37 LEU HA H 31 4.295 4.295 3.996 0.299 18399 5591 1 16 . 1 1 37 37 LEU CA C 31 57.282 57.282 58.097 -0.815 18399 5592 1 16 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.085 0.107 18399 5593 1 16 . 1 1 37 37 LEU H H 31 7.948 7.948 7.955 -0.007 18399 5594 1 16 . 1 1 38 38 GLU N N 32 123.295 123.295 118.446 4.849 18399 5595 1 16 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.979 0.375 18399 5596 1 16 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.832 0.472 18399 5597 1 16 . 1 1 38 38 GLU CB C 32 29.339 29.339 29.028 0.311 18399 5598 1 16 . 1 1 38 38 GLU H H 32 8.714 8.714 8.054 0.660 18399 5599 1 16 . 1 1 39 39 GLU N N 33 118.296 118.296 119.367 -1.071 18399 5600 1 16 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.104 -0.118 18399 5601 1 16 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.669 0.473 18399 5602 1 16 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.467 0.135 18399 5603 1 16 . 1 1 39 39 GLU H H 33 7.470 7.470 7.926 -0.456 18399 5604 1 16 . 1 1 40 40 SER N N 34 112.266 112.266 114.437 -2.171 18399 5605 1 16 . 1 1 40 40 SER CA C 34 61.150 61.150 61.006 0.144 18399 5606 1 16 . 1 1 40 40 SER CB C 34 63.578 63.578 63.265 0.313 18399 5607 1 16 . 1 1 40 40 SER H H 34 8.054 8.054 7.743 0.311 18399 5608 1 16 . 1 1 41 41 GLU N N 35 116.449 116.449 118.821 -2.372 18399 5609 1 16 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.373 -0.006 18399 5610 1 16 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.649 -1.593 18399 5611 1 16 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.278 0.266 18399 5612 1 16 . 1 1 41 41 GLU H H 35 8.908 8.908 7.789 1.119 18399 5613 1 16 . 1 1 42 42 GLY N N 36 108.168 108.168 108.457 -0.289 18399 5614 1 16 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.119 0.305 18399 5615 1 16 . 1 1 42 42 GLY H H 36 7.930 7.930 7.678 0.252 18399 5616 1 16 . 1 1 43 43 ILE N N 37 120.326 120.326 116.744 3.582 18399 5617 1 16 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.560 -0.830 18399 5618 1 16 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.328 1.891 18399 5619 1 16 . 1 1 43 43 ILE H H 37 6.446 6.446 7.234 -0.788 18399 5620 1 16 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.611 -0.435 18399 5621 1 16 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.591 0.427 18399 5622 1 16 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.654 -0.495 18399 5623 1 16 . 1 1 45 45 GLY N N 39 111.710 111.710 109.079 2.631 18399 5624 1 16 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.603 1.003 18399 5625 1 16 . 1 1 45 45 GLY H H 39 9.228 9.228 8.883 0.345 18399 5626 1 16 . 1 1 46 46 ASN N N 40 114.967 114.967 114.407 0.560 18399 5627 1 16 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.690 -0.178 18399 5628 1 16 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.540 0.933 18399 5629 1 16 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.405 -1.895 18399 5630 1 16 . 1 1 46 46 ASN H H 40 8.325 8.325 7.887 0.438 18399 5631 1 16 . 1 1 47 47 MET N N 41 118.446 118.446 118.858 -0.412 18399 5632 1 16 . 1 1 47 47 MET HA H 41 4.557 4.557 4.499 0.058 18399 5633 1 16 . 1 1 47 47 MET CA C 41 54.886 54.886 56.712 -1.826 18399 5634 1 16 . 1 1 47 47 MET CB C 41 32.632 32.632 33.852 -1.220 18399 5635 1 16 . 1 1 47 47 MET H H 41 8.247 8.247 7.906 0.341 18399 5636 1 16 . 1 1 48 48 ILE N N 42 119.569 119.569 116.087 3.482 18399 5637 1 16 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.798 0.298 18399 5638 1 16 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.916 0.833 18399 5639 1 16 . 1 1 48 48 ILE CB C 42 39.436 39.436 35.476 3.960 18399 5640 1 16 . 1 1 48 48 ILE H H 42 7.422 7.422 7.945 -0.523 18399 5641 1 16 . 1 1 49 49 ARG N N 43 127.179 127.179 122.250 4.929 18399 5642 1 16 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.648 -0.068 18399 5643 1 16 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.713 -0.751 18399 5644 1 16 . 1 1 49 49 ARG CB C 43 31.029 31.029 31.992 -0.963 18399 5645 1 16 . 1 1 49 49 ARG H H 43 8.967 8.967 7.794 1.173 18399 5646 1 16 . 1 1 50 50 LEU N N 44 122.639 122.639 122.777 -0.138 18399 5647 1 16 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.333 0.074 18399 5648 1 16 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.498 -0.804 18399 5649 1 16 . 1 1 50 50 LEU CB C 44 46.655 46.655 44.267 2.388 18399 5650 1 16 . 1 1 50 50 LEU H H 44 8.603 8.603 8.436 0.167 18399 5651 1 16 . 1 1 51 51 VAL N N 45 121.931 121.931 118.955 2.976 18399 5652 1 16 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.776 -0.068 18399 5653 1 16 . 1 1 51 51 VAL CA C 45 60.583 60.583 61.310 -0.728 18399 5654 1 16 . 1 1 51 51 VAL CB C 45 34.601 34.601 33.456 1.145 18399 5655 1 16 . 1 1 51 51 VAL H H 45 8.960 8.960 8.307 0.653 18399 5656 1 16 . 1 1 52 52 TYR N N 46 126.384 126.384 128.451 -2.067 18399 5657 1 16 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.807 0.282 18399 5658 1 16 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.310 -0.235 18399 5659 1 16 . 1 1 52 52 TYR CB C 46 41.669 41.669 40.178 1.491 18399 5660 1 16 . 1 1 52 52 TYR H H 46 8.879 8.879 8.945 -0.066 18399 5661 1 16 . 1 1 53 53 GLN N N 47 127.041 127.041 128.242 -1.201 18399 5662 1 16 . 1 1 53 53 GLN HA H 47 3.656 3.656 3.787 -0.131 18399 5663 1 16 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.416 -0.142 18399 5664 1 16 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.393 -1.952 18399 5665 1 16 . 1 1 53 53 GLN H H 47 9.323 9.323 9.175 0.148 18399 5666 1 16 . 1 1 54 54 GLY N N 48 102.991 102.991 101.566 1.425 18399 5667 1 16 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.156 0.217 18399 5668 1 16 . 1 1 54 54 GLY H H 48 8.358 8.358 8.583 -0.225 18399 5669 1 16 . 1 1 55 55 LYS N N 49 121.595 121.595 120.241 1.354 18399 5670 1 16 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.717 -0.100 18399 5671 1 16 . 1 1 55 55 LYS CA C 49 54.340 54.340 54.698 -0.358 18399 5672 1 16 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.892 -0.691 18399 5673 1 16 . 1 1 55 55 LYS H H 49 7.819 7.819 7.928 -0.109 18399 5674 1 16 . 1 1 56 56 GLN N N 50 122.484 122.484 118.694 3.790 18399 5675 1 16 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.746 -0.161 18399 5676 1 16 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.268 1.510 18399 5677 1 16 . 1 1 56 56 GLN CB C 50 28.701 28.701 31.148 -2.447 18399 5678 1 16 . 1 1 56 56 GLN H H 50 8.757 8.757 8.152 0.605 18399 5679 1 16 . 1 1 57 57 LEU N N 51 125.130 125.130 120.760 4.370 18399 5680 1 16 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.027 0.273 18399 5681 1 16 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.232 -1.093 18399 5682 1 16 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.143 1.082 18399 5683 1 16 . 1 1 57 57 LEU H H 51 8.442 8.442 8.804 -0.362 18399 5684 1 16 . 1 1 58 58 GLU N N 52 122.551 122.551 119.511 3.040 18399 5685 1 16 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.474 -0.015 18399 5686 1 16 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.495 -0.385 18399 5687 1 16 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.262 0.784 18399 5688 1 16 . 1 1 58 58 GLU H H 52 8.125 8.125 8.525 -0.400 18399 5689 1 16 . 1 1 59 59 ASP N N 53 122.235 122.235 121.996 0.239 18399 5690 1 16 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.288 -0.143 18399 5691 1 16 . 1 1 59 59 ASP CA C 53 57.699 57.699 58.206 -0.507 18399 5692 1 16 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.763 0.248 18399 5693 1 16 . 1 1 59 59 ASP H H 53 8.346 8.346 8.680 -0.334 18399 5694 1 16 . 1 1 60 60 GLU N N 54 113.128 113.128 116.979 -3.851 18399 5695 1 16 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.129 0.186 18399 5696 1 16 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.154 -0.818 18399 5697 1 16 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.586 -0.544 18399 5698 1 16 . 1 1 60 60 GLU H H 54 8.756 8.756 8.515 0.241 18399 5699 1 16 . 1 1 61 61 LYS N N 55 119.869 119.869 119.001 0.868 18399 5700 1 16 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.461 -0.210 18399 5701 1 16 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.799 1.158 18399 5702 1 16 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.686 1.258 18399 5703 1 16 . 1 1 61 61 LYS H H 55 7.677 7.677 7.663 0.014 18399 5704 1 16 . 1 1 62 62 ARG N N 56 117.724 117.724 120.200 -2.476 18399 5705 1 16 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.127 0.597 18399 5706 1 16 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.710 2.410 18399 5707 1 16 . 1 1 62 62 ARG H H 56 8.797 8.797 7.652 1.145 18399 5708 1 16 . 1 1 63 63 LEU N N 57 123.223 123.223 121.741 1.482 18399 5709 1 16 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.201 -0.163 18399 5710 1 16 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.427 1.997 18399 5711 1 16 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.694 -1.296 18399 5712 1 16 . 1 1 63 63 LEU H H 57 8.728 8.728 8.410 0.318 18399 5713 1 16 . 1 1 64 64 LYS N N 58 114.073 114.073 118.604 -4.531 18399 5714 1 16 . 1 1 64 64 LYS HA H 58 4.409 4.409 4.018 0.391 18399 5715 1 16 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.205 -1.371 18399 5716 1 16 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.643 -0.519 18399 5717 1 16 . 1 1 64 64 LYS H H 58 8.681 8.681 8.252 0.429 18399 5718 1 16 . 1 1 65 65 ASP N N 59 120.640 120.640 119.094 1.546 18399 5719 1 16 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.661 -0.242 18399 5720 1 16 . 1 1 65 65 ASP CA C 59 56.506 56.506 56.102 0.404 18399 5721 1 16 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.817 -0.769 18399 5722 1 16 . 1 1 65 65 ASP H H 59 7.862 7.862 8.115 -0.253 18399 5723 1 16 . 1 1 66 66 TYR N N 60 117.775 117.775 121.044 -3.269 18399 5724 1 16 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.318 0.298 18399 5725 1 16 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.369 -2.219 18399 5726 1 16 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.956 0.373 18399 5727 1 16 . 1 1 66 66 TYR H H 60 7.545 7.545 8.036 -0.491 18399 5728 1 16 . 1 1 67 67 GLN N N 61 117.450 117.450 117.802 -0.352 18399 5729 1 16 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.089 0.094 18399 5730 1 16 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.105 -0.488 18399 5731 1 16 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.528 -1.950 18399 5732 1 16 . 1 1 67 67 GLN H H 61 8.155 8.155 7.721 0.434 18399 5733 1 16 . 1 1 68 68 MET N N 62 120.193 120.193 118.151 2.042 18399 5734 1 16 . 1 1 68 68 MET HA H 62 4.470 4.470 4.428 0.042 18399 5735 1 16 . 1 1 68 68 MET CA C 62 55.767 55.767 55.756 0.011 18399 5736 1 16 . 1 1 68 68 MET CB C 62 33.105 33.105 32.925 0.180 18399 5737 1 16 . 1 1 68 68 MET H H 62 7.997 7.997 7.473 0.524 18399 5738 1 16 . 1 1 69 69 SER N N 63 116.722 116.722 112.212 4.510 18399 5739 1 16 . 1 1 69 69 SER HA H 63 4.530 4.530 4.220 0.310 18399 5740 1 16 . 1 1 69 69 SER CA C 63 57.654 57.654 59.712 -2.058 18399 5741 1 16 . 1 1 69 69 SER CB C 63 64.803 64.803 62.254 2.549 18399 5742 1 16 . 1 1 69 69 SER H H 63 8.073 8.073 8.715 -0.642 18399 5743 1 16 . 1 1 70 70 ALA N N 64 123.286 123.286 120.456 2.830 18399 5744 1 16 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.445 -0.189 18399 5745 1 16 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.053 1.513 18399 5746 1 16 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.254 -1.012 18399 5747 1 16 . 1 1 70 70 ALA H H 64 8.492 8.492 8.065 0.427 18399 5748 1 16 . 1 1 71 71 GLY N N 65 110.294 110.294 108.219 2.075 18399 5749 1 16 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.650 0.477 18399 5750 1 16 . 1 1 71 71 GLY H H 65 8.907 8.907 7.976 0.931 18399 5751 1 16 . 1 1 72 72 ALA N N 66 123.229 123.229 129.189 -5.960 18399 5752 1 16 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.317 -0.029 18399 5753 1 16 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.224 0.652 18399 5754 1 16 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.458 0.368 18399 5755 1 16 . 1 1 72 72 ALA H H 66 7.572 7.572 8.499 -0.927 18399 5756 1 16 . 1 1 73 73 THR N N 67 116.161 116.161 115.801 0.360 18399 5757 1 16 . 1 1 73 73 THR HA H 67 5.060 5.060 5.026 0.034 18399 5758 1 16 . 1 1 73 73 THR CA C 67 61.493 61.493 60.200 1.293 18399 5759 1 16 . 1 1 73 73 THR CB C 67 71.022 71.022 71.250 -0.228 18399 5760 1 16 . 1 1 73 73 THR H H 67 8.253 8.253 8.816 -0.563 18399 5761 1 16 . 1 1 74 74 PHE N N 68 124.518 124.518 126.155 -1.637 18399 5762 1 16 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.279 0.090 18399 5763 1 16 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.468 -2.455 18399 5764 1 16 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.879 -0.986 18399 5765 1 16 . 1 1 74 74 PHE H H 68 8.989 8.989 8.524 0.465 18399 5766 1 16 . 1 1 75 75 HIS N N 69 120.835 120.835 126.487 -5.652 18399 5767 1 16 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.863 0.283 18399 5768 1 16 . 1 1 75 75 HIS CA C 69 56.131 56.131 54.696 1.435 18399 5769 1 16 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.994 -0.410 18399 5770 1 16 . 1 1 75 75 HIS H H 69 9.300 9.300 8.652 0.648 18399 5771 1 16 . 1 1 76 76 MET N N 70 122.731 122.731 122.325 0.406 18399 5772 1 16 . 1 1 76 76 MET HA H 70 5.199 5.199 4.720 0.479 18399 5773 1 16 . 1 1 76 76 MET CA C 70 54.683 54.683 54.726 -0.043 18399 5774 1 16 . 1 1 76 76 MET CB C 70 35.426 35.426 36.117 -0.692 18399 5775 1 16 . 1 1 76 76 MET H H 70 8.563 8.563 8.192 0.371 18399 5776 1 16 . 1 1 77 77 VAL N N 71 128.801 128.801 125.745 3.056 18399 5777 1 16 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.441 -0.164 18399 5778 1 16 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.154 1.189 18399 5779 1 16 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.936 0.720 18399 5780 1 16 . 1 1 77 77 VAL H H 71 9.118 9.118 8.511 0.607 18399 5781 1 16 . 1 1 78 78 VAL N N 72 125.528 125.528 129.720 -4.192 18399 5782 1 16 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.213 0.405 18399 5783 1 16 . 1 1 78 78 VAL CA C 72 61.485 61.485 60.969 0.515 18399 5784 1 16 . 1 1 78 78 VAL CB C 72 32.311 32.311 30.775 1.536 18399 5785 1 16 . 1 1 78 78 VAL H H 72 8.544 8.544 8.463 0.080 18399 5786 1 16 . 1 1 79 79 ALA N N 73 131.664 131.664 131.081 0.583 18399 5787 1 16 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.818 -0.495 18399 5788 1 16 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.474 0.272 18399 5789 1 16 . 1 1 79 79 ALA CB C 73 19.445 19.445 18.407 1.038 18399 5790 1 16 . 1 1 79 79 ALA H H 73 8.957 8.957 8.544 0.413 18399 5791 1 16 . 1 1 80 80 LEU N N 74 120.722 120.722 119.091 1.631 18399 5792 1 16 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.572 -0.293 18399 5793 1 16 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.596 -0.405 18399 5794 1 16 . 1 1 80 80 LEU CB C 74 42.356 42.356 42.307 0.049 18399 5795 1 16 . 1 1 80 80 LEU H H 74 8.193 8.193 8.678 -0.485 18399 5796 1 16 . 1 1 81 81 ARG N N 75 121.022 121.022 121.016 0.006 18399 5797 1 16 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.535 -0.241 18399 5798 1 16 . 1 1 81 81 ARG CA C 75 55.604 55.604 55.575 0.029 18399 5799 1 16 . 1 1 81 81 ARG CB C 75 30.856 30.856 30.765 0.091 18399 5800 1 16 . 1 1 81 81 ARG H H 75 8.207 8.207 8.036 0.171 18399 5801 1 16 . 1 1 82 82 ALA N N 76 125.815 125.815 121.541 4.274 18399 5802 1 16 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.524 -0.246 18399 5803 1 16 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.665 0.813 18399 5804 1 16 . 1 1 82 82 ALA CB C 76 18.813 18.813 20.453 -1.640 18399 5805 1 16 . 1 1 82 82 ALA H H 76 8.471 8.471 8.182 0.289 18399 5806 1 16 . 1 1 83 83 GLY N N 77 109.110 109.110 107.517 1.593 18399 5807 1 16 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.244 0.092 18399 5808 1 16 . 1 1 83 83 GLY H H 77 8.506 8.506 8.975 -0.469 18399 5809 1 17 . 1 1 8 8 LEU N N 2 125.142 125.142 124.125 1.017 18399 5810 1 17 . 1 1 8 8 LEU HA H 2 4.474 4.474 4.565 -0.091 18399 5811 1 17 . 1 1 8 8 LEU CA C 2 55.275 55.275 55.261 0.014 18399 5812 1 17 . 1 1 8 8 LEU CB C 2 41.902 41.902 42.079 -0.177 18399 5813 1 17 . 1 1 8 8 LEU H H 2 8.251 8.251 7.869 0.382 18399 5814 1 17 . 1 1 9 9 LEU N N 3 126.326 126.326 122.201 4.125 18399 5815 1 17 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.942 -0.146 18399 5816 1 17 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.142 -0.099 18399 5817 1 17 . 1 1 9 9 LEU CB C 3 44.508 44.508 45.902 -1.394 18399 5818 1 17 . 1 1 9 9 LEU H H 3 8.307 8.307 7.805 0.502 18399 5819 1 17 . 1 1 10 10 LYS N N 4 121.349 121.349 123.649 -2.300 18399 5820 1 17 . 1 1 10 10 LYS HA H 4 5.080 5.080 4.921 0.159 18399 5821 1 17 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.823 -0.191 18399 5822 1 17 . 1 1 10 10 LYS CB C 4 34.425 34.425 33.814 0.611 18399 5823 1 17 . 1 1 10 10 LYS H H 4 8.428 8.428 8.596 -0.168 18399 5824 1 17 . 1 1 11 11 VAL N N 5 122.408 122.408 123.412 -1.004 18399 5825 1 17 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.916 -0.228 18399 5826 1 17 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.698 0.628 18399 5827 1 17 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.161 1.669 18399 5828 1 17 . 1 1 11 11 VAL H H 5 9.088 9.088 8.511 0.577 18399 5829 1 17 . 1 1 12 12 LYS N N 6 127.778 127.778 126.197 1.581 18399 5830 1 17 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.307 0.045 18399 5831 1 17 . 1 1 12 12 LYS CA C 6 54.675 54.675 54.189 0.486 18399 5832 1 17 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.317 -1.133 18399 5833 1 17 . 1 1 12 12 LYS H H 6 9.029 9.029 8.631 0.398 18399 5834 1 17 . 1 1 13 13 THR N N 7 116.723 116.723 117.697 -0.974 18399 5835 1 17 . 1 1 13 13 THR HA H 7 4.860 4.860 4.726 0.134 18399 5836 1 17 . 1 1 13 13 THR CA C 7 60.392 60.392 60.879 -0.487 18399 5837 1 17 . 1 1 13 13 THR CB C 7 71.189 71.189 70.140 1.049 18399 5838 1 17 . 1 1 13 13 THR H H 7 8.790 8.790 8.306 0.484 18399 5839 1 17 . 1 1 14 14 VAL N N 8 119.340 119.340 121.244 -1.904 18399 5840 1 17 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.090 0.013 18399 5841 1 17 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.549 0.163 18399 5842 1 17 . 1 1 14 14 VAL CB C 8 31.160 31.160 32.073 -0.913 18399 5843 1 17 . 1 1 14 14 VAL H H 8 8.872 8.872 8.632 0.240 18399 5844 1 17 . 1 1 15 15 SER N N 9 114.630 114.630 116.285 -1.655 18399 5845 1 17 . 1 1 15 15 SER HA H 9 4.513 4.513 4.424 0.089 18399 5846 1 17 . 1 1 15 15 SER CA C 9 57.913 57.913 58.517 -0.604 18399 5847 1 17 . 1 1 15 15 SER CB C 9 63.243 63.243 62.664 0.579 18399 5848 1 17 . 1 1 15 15 SER H H 9 7.859 7.859 7.952 -0.093 18399 5849 1 17 . 1 1 16 16 ASN N N 10 115.509 115.509 118.066 -2.557 18399 5850 1 17 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.398 -0.206 18399 5851 1 17 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.736 0.225 18399 5852 1 17 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.077 -0.782 18399 5853 1 17 . 1 1 16 16 ASN H H 10 8.229 8.229 8.026 0.203 18399 5854 1 17 . 1 1 17 17 LYS N N 11 120.345 120.345 119.789 0.556 18399 5855 1 17 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.477 -0.222 18399 5856 1 17 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.014 1.333 18399 5857 1 17 . 1 1 17 17 LYS CB C 11 32.936 32.936 33.074 -0.138 18399 5858 1 17 . 1 1 17 17 LYS H H 11 7.315 7.315 7.565 -0.250 18399 5859 1 17 . 1 1 18 18 VAL N N 12 125.270 125.270 124.640 0.630 18399 5860 1 17 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.571 0.066 18399 5861 1 17 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.314 0.435 18399 5862 1 17 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.493 -0.301 18399 5863 1 17 . 1 1 18 18 VAL H H 12 8.576 8.576 8.350 0.226 18399 5864 1 17 . 1 1 19 19 ILE N N 13 130.928 130.928 128.187 2.741 18399 5865 1 17 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.361 -0.208 18399 5866 1 17 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.633 0.812 18399 5867 1 17 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.889 0.306 18399 5868 1 17 . 1 1 19 19 ILE H H 13 9.486 9.486 8.780 0.706 18399 5869 1 17 . 1 1 20 20 GLN N N 14 124.762 124.762 128.167 -3.405 18399 5870 1 17 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.769 0.293 18399 5871 1 17 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.955 -0.160 18399 5872 1 17 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.794 -0.194 18399 5873 1 17 . 1 1 20 20 GLN H H 14 8.803 8.803 8.554 0.249 18399 5874 1 17 . 1 1 21 21 ILE N N 15 126.010 126.010 124.092 1.918 18399 5875 1 17 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.655 -0.142 18399 5876 1 17 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.213 0.426 18399 5877 1 17 . 1 1 21 21 ILE CB C 15 39.171 39.171 39.891 -0.720 18399 5878 1 17 . 1 1 21 21 ILE H H 15 9.076 9.076 8.200 0.876 18399 5879 1 17 . 1 1 22 22 THR N N 16 118.074 118.074 114.013 4.061 18399 5880 1 17 . 1 1 22 22 THR HA H 16 4.904 4.904 4.507 0.397 18399 5881 1 17 . 1 1 22 22 THR CA C 16 61.462 61.462 61.392 0.070 18399 5882 1 17 . 1 1 22 22 THR CB C 16 69.657 69.657 68.287 1.370 18399 5883 1 17 . 1 1 22 22 THR H H 16 9.047 9.047 8.408 0.639 18399 5884 1 17 . 1 1 23 23 SER N N 17 113.130 113.130 116.906 -3.776 18399 5885 1 17 . 1 1 23 23 SER HA H 17 4.440 4.440 4.572 -0.132 18399 5886 1 17 . 1 1 23 23 SER CA C 17 58.002 58.002 58.576 -0.574 18399 5887 1 17 . 1 1 23 23 SER CB C 17 64.268 64.268 63.631 0.637 18399 5888 1 17 . 1 1 23 23 SER H H 17 7.330 7.330 8.199 -0.869 18399 5889 1 17 . 1 1 24 24 LEU N N 18 123.241 123.241 125.038 -1.797 18399 5890 1 17 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.767 -0.028 18399 5891 1 17 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.642 0.216 18399 5892 1 17 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.899 -2.409 18399 5893 1 17 . 1 1 24 24 LEU H H 18 8.728 8.728 8.382 0.346 18399 5894 1 17 . 1 1 25 25 THR N N 19 111.915 111.915 115.030 -3.115 18399 5895 1 17 . 1 1 25 25 THR HA H 19 4.816 4.816 4.304 0.512 18399 5896 1 17 . 1 1 25 25 THR CA C 19 59.575 59.575 61.391 -1.816 18399 5897 1 17 . 1 1 25 25 THR CB C 19 72.043 72.043 69.760 2.283 18399 5898 1 17 . 1 1 25 25 THR H H 19 9.363 9.363 8.293 1.070 18399 5899 1 17 . 1 1 26 26 ASP N N 20 117.183 117.183 116.490 0.693 18399 5900 1 17 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.595 -0.262 18399 5901 1 17 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.519 2.210 18399 5902 1 17 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.236 -1.854 18399 5903 1 17 . 1 1 26 26 ASP H H 20 8.785 8.785 8.277 0.508 18399 5904 1 17 . 1 1 27 27 ASP N N 21 116.327 116.327 119.038 -2.711 18399 5905 1 17 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.569 0.105 18399 5906 1 17 . 1 1 27 27 ASP CA C 21 54.770 54.770 55.115 -0.345 18399 5907 1 17 . 1 1 27 27 ASP CB C 21 42.294 42.294 41.968 0.327 18399 5908 1 17 . 1 1 27 27 ASP H H 21 7.775 7.775 8.140 -0.365 18399 5909 1 17 . 1 1 28 28 ASN N N 22 117.269 117.269 114.767 2.502 18399 5910 1 17 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.785 0.107 18399 5911 1 17 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.775 1.035 18399 5912 1 17 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.373 0.729 18399 5913 1 17 . 1 1 28 28 ASN H H 22 7.829 7.829 8.175 -0.346 18399 5914 1 17 . 1 1 29 29 THR N N 23 108.639 108.639 114.361 -5.722 18399 5915 1 17 . 1 1 29 29 THR HA H 23 5.206 5.206 3.890 1.316 18399 5916 1 17 . 1 1 29 29 THR CA C 23 59.830 59.830 66.387 -6.557 18399 5917 1 17 . 1 1 29 29 THR CB C 23 72.396 72.396 67.593 4.803 18399 5918 1 17 . 1 1 29 29 THR H H 23 9.145 9.145 8.042 1.103 18399 5919 1 17 . 1 1 30 30 ILE N N 24 120.336 120.336 122.927 -2.591 18399 5920 1 17 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.849 -0.163 18399 5921 1 17 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.120 -3.540 18399 5922 1 17 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.703 -4.359 18399 5923 1 17 . 1 1 30 30 ILE H H 24 8.477 8.477 8.243 0.234 18399 5924 1 17 . 1 1 31 31 ALA N N 25 123.489 123.489 122.471 1.018 18399 5925 1 17 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.167 -0.296 18399 5926 1 17 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.324 0.632 18399 5927 1 17 . 1 1 31 31 ALA CB C 25 18.160 18.160 18.070 0.090 18399 5928 1 17 . 1 1 31 31 ALA H H 25 8.951 8.951 7.707 1.244 18399 5929 1 17 . 1 1 32 32 GLU N N 26 120.101 120.101 119.430 0.671 18399 5930 1 17 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.170 -0.155 18399 5931 1 17 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.229 0.122 18399 5932 1 17 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.311 -0.589 18399 5933 1 17 . 1 1 32 32 GLU H H 26 7.988 7.988 8.515 -0.527 18399 5934 1 17 . 1 1 33 33 LEU N N 27 124.025 124.025 120.439 3.586 18399 5935 1 17 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.105 -0.072 18399 5936 1 17 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.896 0.766 18399 5937 1 17 . 1 1 33 33 LEU CB C 27 40.157 40.157 41.761 -1.605 18399 5938 1 17 . 1 1 33 33 LEU H H 27 8.083 8.083 7.807 0.276 18399 5939 1 17 . 1 1 34 34 LYS N N 28 119.471 119.471 118.691 0.780 18399 5940 1 17 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.140 -0.341 18399 5941 1 17 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.768 1.742 18399 5942 1 17 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.809 0.039 18399 5943 1 17 . 1 1 34 34 LYS H H 28 8.746 8.746 8.742 0.004 18399 5944 1 17 . 1 1 35 35 GLY N N 29 106.034 106.034 107.811 -1.777 18399 5945 1 17 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.860 0.182 18399 5946 1 17 . 1 1 35 35 GLY H H 29 8.096 8.096 8.392 -0.296 18399 5947 1 17 . 1 1 36 36 LYS N N 30 121.196 121.196 122.417 -1.221 18399 5948 1 17 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.169 0.068 18399 5949 1 17 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.910 -1.568 18399 5950 1 17 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.370 -1.837 18399 5951 1 17 . 1 1 36 36 LYS H H 30 7.704 7.704 7.828 -0.124 18399 5952 1 17 . 1 1 37 37 LEU N N 31 121.657 121.657 120.911 0.746 18399 5953 1 17 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.005 0.290 18399 5954 1 17 . 1 1 37 37 LEU CA C 31 57.282 57.282 58.029 -0.747 18399 5955 1 17 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.052 0.140 18399 5956 1 17 . 1 1 37 37 LEU H H 31 7.948 7.948 8.166 -0.218 18399 5957 1 17 . 1 1 38 38 GLU N N 32 123.295 123.295 118.439 4.856 18399 5958 1 17 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.987 0.367 18399 5959 1 17 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.830 0.474 18399 5960 1 17 . 1 1 38 38 GLU CB C 32 29.339 29.339 29.004 0.335 18399 5961 1 17 . 1 1 38 38 GLU H H 32 8.714 8.714 8.118 0.596 18399 5962 1 17 . 1 1 39 39 GLU N N 33 118.296 118.296 119.439 -1.143 18399 5963 1 17 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.108 -0.122 18399 5964 1 17 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.706 0.436 18399 5965 1 17 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.431 0.171 18399 5966 1 17 . 1 1 39 39 GLU H H 33 7.470 7.470 7.875 -0.405 18399 5967 1 17 . 1 1 40 40 SER N N 34 112.266 112.266 114.488 -2.222 18399 5968 1 17 . 1 1 40 40 SER CA C 34 61.150 61.150 60.998 0.152 18399 5969 1 17 . 1 1 40 40 SER CB C 34 63.578 63.578 63.276 0.302 18399 5970 1 17 . 1 1 40 40 SER H H 34 8.054 8.054 7.782 0.272 18399 5971 1 17 . 1 1 41 41 GLU N N 35 116.449 116.449 118.272 -1.823 18399 5972 1 17 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.387 -0.020 18399 5973 1 17 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.476 -1.420 18399 5974 1 17 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.430 0.114 18399 5975 1 17 . 1 1 41 41 GLU H H 35 8.908 8.908 7.777 1.131 18399 5976 1 17 . 1 1 42 42 GLY N N 36 108.168 108.168 108.804 -0.636 18399 5977 1 17 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.047 0.377 18399 5978 1 17 . 1 1 42 42 GLY H H 36 7.930 7.930 8.014 -0.084 18399 5979 1 17 . 1 1 43 43 ILE N N 37 120.326 120.326 117.114 3.212 18399 5980 1 17 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.545 -0.815 18399 5981 1 17 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.816 1.403 18399 5982 1 17 . 1 1 43 43 ILE H H 37 6.446 6.446 7.272 -0.826 18399 5983 1 17 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.647 -0.471 18399 5984 1 17 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.436 0.582 18399 5985 1 17 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.555 -0.396 18399 5986 1 17 . 1 1 45 45 GLY N N 39 111.710 111.710 110.585 1.125 18399 5987 1 17 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.645 0.961 18399 5988 1 17 . 1 1 45 45 GLY H H 39 9.228 9.228 8.884 0.344 18399 5989 1 17 . 1 1 46 46 ASN N N 40 114.967 114.967 113.841 1.126 18399 5990 1 17 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.678 -0.166 18399 5991 1 17 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.397 1.076 18399 5992 1 17 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.506 -1.996 18399 5993 1 17 . 1 1 46 46 ASN H H 40 8.325 8.325 8.136 0.189 18399 5994 1 17 . 1 1 47 47 MET N N 41 118.446 118.446 119.357 -0.911 18399 5995 1 17 . 1 1 47 47 MET HA H 41 4.557 4.557 4.516 0.041 18399 5996 1 17 . 1 1 47 47 MET CA C 41 54.886 54.886 56.467 -1.581 18399 5997 1 17 . 1 1 47 47 MET CB C 41 32.632 32.632 34.118 -1.486 18399 5998 1 17 . 1 1 47 47 MET H H 41 8.247 8.247 7.944 0.303 18399 5999 1 17 . 1 1 48 48 ILE N N 42 119.569 119.569 116.953 2.616 18399 6000 1 17 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.799 0.297 18399 6001 1 17 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.736 1.013 18399 6002 1 17 . 1 1 48 48 ILE CB C 42 39.436 39.436 35.051 4.385 18399 6003 1 17 . 1 1 48 48 ILE H H 42 7.422 7.422 7.734 -0.312 18399 6004 1 17 . 1 1 49 49 ARG N N 43 127.179 127.179 122.191 4.988 18399 6005 1 17 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.657 -0.077 18399 6006 1 17 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.124 -0.162 18399 6007 1 17 . 1 1 49 49 ARG CB C 43 31.029 31.029 31.684 -0.655 18399 6008 1 17 . 1 1 49 49 ARG H H 43 8.967 8.967 8.068 0.899 18399 6009 1 17 . 1 1 50 50 LEU N N 44 122.639 122.639 121.787 0.852 18399 6010 1 17 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.107 0.300 18399 6011 1 17 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.086 -0.391 18399 6012 1 17 . 1 1 50 50 LEU CB C 44 46.655 46.655 44.111 2.543 18399 6013 1 17 . 1 1 50 50 LEU H H 44 8.603 8.603 8.437 0.166 18399 6014 1 17 . 1 1 51 51 VAL N N 45 121.931 121.931 119.108 2.823 18399 6015 1 17 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.847 -0.139 18399 6016 1 17 . 1 1 51 51 VAL CA C 45 60.583 60.583 59.870 0.713 18399 6017 1 17 . 1 1 51 51 VAL CB C 45 34.601 34.601 34.635 -0.034 18399 6018 1 17 . 1 1 51 51 VAL H H 45 8.960 8.960 8.132 0.828 18399 6019 1 17 . 1 1 52 52 TYR N N 46 126.384 126.384 129.370 -2.986 18399 6020 1 17 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.904 0.185 18399 6021 1 17 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.474 -0.399 18399 6022 1 17 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.952 1.717 18399 6023 1 17 . 1 1 52 52 TYR H H 46 8.879 8.879 9.062 -0.183 18399 6024 1 17 . 1 1 53 53 GLN N N 47 127.041 127.041 128.132 -1.091 18399 6025 1 17 . 1 1 53 53 GLN HA H 47 3.656 3.656 4.017 -0.361 18399 6026 1 17 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.756 -0.482 18399 6027 1 17 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.805 -2.364 18399 6028 1 17 . 1 1 53 53 GLN H H 47 9.323 9.323 9.505 -0.182 18399 6029 1 17 . 1 1 54 54 GLY N N 48 102.991 102.991 102.048 0.943 18399 6030 1 17 . 1 1 54 54 GLY CA C 48 45.373 45.373 44.999 0.374 18399 6031 1 17 . 1 1 54 54 GLY H H 48 8.358 8.358 8.568 -0.210 18399 6032 1 17 . 1 1 55 55 LYS N N 49 121.595 121.595 120.286 1.309 18399 6033 1 17 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.642 -0.025 18399 6034 1 17 . 1 1 55 55 LYS CA C 49 54.340 54.340 55.239 -0.899 18399 6035 1 17 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.839 -0.638 18399 6036 1 17 . 1 1 55 55 LYS H H 49 7.819 7.819 8.014 -0.195 18399 6037 1 17 . 1 1 56 56 GLN N N 50 122.484 122.484 119.331 3.153 18399 6038 1 17 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.682 -0.097 18399 6039 1 17 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.592 1.186 18399 6040 1 17 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.847 -2.146 18399 6041 1 17 . 1 1 56 56 GLN H H 50 8.757 8.757 8.251 0.506 18399 6042 1 17 . 1 1 57 57 LEU N N 51 125.130 125.130 120.252 4.878 18399 6043 1 17 . 1 1 57 57 LEU HA H 51 4.300 4.300 3.968 0.332 18399 6044 1 17 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.618 -1.479 18399 6045 1 17 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.242 0.983 18399 6046 1 17 . 1 1 57 57 LEU H H 51 8.442 8.442 8.944 -0.502 18399 6047 1 17 . 1 1 58 58 GLU N N 52 122.551 122.551 121.869 0.682 18399 6048 1 17 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.371 0.088 18399 6049 1 17 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.578 -0.468 18399 6050 1 17 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.091 0.955 18399 6051 1 17 . 1 1 58 58 GLU H H 52 8.125 8.125 8.777 -0.652 18399 6052 1 17 . 1 1 59 59 ASP N N 53 122.235 122.235 121.437 0.798 18399 6053 1 17 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.328 -0.183 18399 6054 1 17 . 1 1 59 59 ASP CA C 53 57.699 57.699 58.123 -0.424 18399 6055 1 17 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.928 0.083 18399 6056 1 17 . 1 1 59 59 ASP H H 53 8.346 8.346 8.639 -0.293 18399 6057 1 17 . 1 1 60 60 GLU N N 54 113.128 113.128 116.845 -3.717 18399 6058 1 17 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.098 0.217 18399 6059 1 17 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.203 -0.867 18399 6060 1 17 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.523 -0.481 18399 6061 1 17 . 1 1 60 60 GLU H H 54 8.756 8.756 8.528 0.228 18399 6062 1 17 . 1 1 61 61 LYS N N 55 119.869 119.869 119.182 0.687 18399 6063 1 17 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.375 -0.124 18399 6064 1 17 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.654 1.303 18399 6065 1 17 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.379 1.565 18399 6066 1 17 . 1 1 61 61 LYS H H 55 7.677 7.677 7.742 -0.065 18399 6067 1 17 . 1 1 62 62 ARG N N 56 117.724 117.724 120.053 -2.329 18399 6068 1 17 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.134 0.590 18399 6069 1 17 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.823 2.297 18399 6070 1 17 . 1 1 62 62 ARG H H 56 8.797 8.797 7.637 1.160 18399 6071 1 17 . 1 1 63 63 LEU N N 57 123.223 123.223 121.247 1.976 18399 6072 1 17 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.171 -0.133 18399 6073 1 17 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.487 1.937 18399 6074 1 17 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.616 -1.218 18399 6075 1 17 . 1 1 63 63 LEU H H 57 8.728 8.728 8.346 0.382 18399 6076 1 17 . 1 1 64 64 LYS N N 58 114.073 114.073 118.169 -4.096 18399 6077 1 17 . 1 1 64 64 LYS HA H 58 4.409 4.409 4.016 0.393 18399 6078 1 17 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.223 -1.389 18399 6079 1 17 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.564 -0.440 18399 6080 1 17 . 1 1 64 64 LYS H H 58 8.681 8.681 8.340 0.341 18399 6081 1 17 . 1 1 65 65 ASP N N 59 120.640 120.640 119.151 1.489 18399 6082 1 17 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.520 -0.101 18399 6083 1 17 . 1 1 65 65 ASP CA C 59 56.506 56.506 56.320 0.186 18399 6084 1 17 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.889 -0.841 18399 6085 1 17 . 1 1 65 65 ASP H H 59 7.862 7.862 8.083 -0.221 18399 6086 1 17 . 1 1 66 66 TYR N N 60 117.775 117.775 120.775 -3.000 18399 6087 1 17 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.326 0.290 18399 6088 1 17 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.484 -2.334 18399 6089 1 17 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.999 0.330 18399 6090 1 17 . 1 1 66 66 TYR H H 60 7.545 7.545 8.169 -0.624 18399 6091 1 17 . 1 1 67 67 GLN N N 61 117.450 117.450 118.458 -1.008 18399 6092 1 17 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.136 0.047 18399 6093 1 17 . 1 1 67 67 GLN CA C 61 56.617 56.617 56.743 -0.126 18399 6094 1 17 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.460 -1.882 18399 6095 1 17 . 1 1 67 67 GLN H H 61 8.155 8.155 7.765 0.390 18399 6096 1 17 . 1 1 68 68 MET N N 62 120.193 120.193 118.137 2.056 18399 6097 1 17 . 1 1 68 68 MET HA H 62 4.470 4.470 4.395 0.075 18399 6098 1 17 . 1 1 68 68 MET CA C 62 55.767 55.767 55.630 0.137 18399 6099 1 17 . 1 1 68 68 MET CB C 62 33.105 33.105 32.944 0.161 18399 6100 1 17 . 1 1 68 68 MET H H 62 7.997 7.997 7.426 0.571 18399 6101 1 17 . 1 1 69 69 SER N N 63 116.722 116.722 112.186 4.536 18399 6102 1 17 . 1 1 69 69 SER HA H 63 4.530 4.530 4.121 0.409 18399 6103 1 17 . 1 1 69 69 SER CA C 63 57.654 57.654 59.337 -1.683 18399 6104 1 17 . 1 1 69 69 SER CB C 63 64.803 64.803 62.429 2.374 18399 6105 1 17 . 1 1 69 69 SER H H 63 8.073 8.073 8.746 -0.673 18399 6106 1 17 . 1 1 70 70 ALA N N 64 123.286 123.286 121.018 2.268 18399 6107 1 17 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.467 -0.211 18399 6108 1 17 . 1 1 70 70 ALA CA C 64 53.566 53.566 51.983 1.583 18399 6109 1 17 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.534 -1.292 18399 6110 1 17 . 1 1 70 70 ALA H H 64 8.492 8.492 8.038 0.454 18399 6111 1 17 . 1 1 71 71 GLY N N 65 110.294 110.294 108.289 2.005 18399 6112 1 17 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.899 0.228 18399 6113 1 17 . 1 1 71 71 GLY H H 65 8.907 8.907 7.910 0.997 18399 6114 1 17 . 1 1 72 72 ALA N N 66 123.229 123.229 129.636 -6.407 18399 6115 1 17 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.194 0.094 18399 6116 1 17 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.179 0.697 18399 6117 1 17 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.469 0.357 18399 6118 1 17 . 1 1 72 72 ALA H H 66 7.572 7.572 8.690 -1.118 18399 6119 1 17 . 1 1 73 73 THR N N 67 116.161 116.161 114.760 1.401 18399 6120 1 17 . 1 1 73 73 THR HA H 67 5.060 5.060 4.496 0.564 18399 6121 1 17 . 1 1 73 73 THR CA C 67 61.493 61.493 60.193 1.300 18399 6122 1 17 . 1 1 73 73 THR CB C 67 71.022 71.022 71.220 -0.198 18399 6123 1 17 . 1 1 73 73 THR H H 67 8.253 8.253 8.623 -0.370 18399 6124 1 17 . 1 1 74 74 PHE N N 68 124.518 124.518 126.135 -1.617 18399 6125 1 17 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.236 0.133 18399 6126 1 17 . 1 1 74 74 PHE CA C 68 54.013 54.013 55.961 -1.948 18399 6127 1 17 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.418 -0.525 18399 6128 1 17 . 1 1 74 74 PHE H H 68 8.989 8.989 8.323 0.666 18399 6129 1 17 . 1 1 75 75 HIS N N 69 120.835 120.835 126.664 -5.829 18399 6130 1 17 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.715 0.431 18399 6131 1 17 . 1 1 75 75 HIS CA C 69 56.131 56.131 54.550 1.581 18399 6132 1 17 . 1 1 75 75 HIS CB C 69 31.584 31.584 32.010 -0.426 18399 6133 1 17 . 1 1 75 75 HIS H H 69 9.300 9.300 8.811 0.489 18399 6134 1 17 . 1 1 76 76 MET N N 70 122.731 122.731 122.350 0.381 18399 6135 1 17 . 1 1 76 76 MET HA H 70 5.199 5.199 4.559 0.640 18399 6136 1 17 . 1 1 76 76 MET CA C 70 54.683 54.683 54.302 0.381 18399 6137 1 17 . 1 1 76 76 MET CB C 70 35.426 35.426 35.490 -0.064 18399 6138 1 17 . 1 1 76 76 MET H H 70 8.563 8.563 8.093 0.470 18399 6139 1 17 . 1 1 77 77 VAL N N 71 128.801 128.801 122.469 6.332 18399 6140 1 17 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.490 -0.213 18399 6141 1 17 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.273 1.070 18399 6142 1 17 . 1 1 77 77 VAL CB C 71 34.656 34.656 32.347 2.309 18399 6143 1 17 . 1 1 77 77 VAL H H 71 9.118 9.118 8.365 0.753 18399 6144 1 17 . 1 1 78 78 VAL N N 72 125.528 125.528 125.787 -0.259 18399 6145 1 17 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.298 0.320 18399 6146 1 17 . 1 1 78 78 VAL CA C 72 61.485 61.485 60.500 0.985 18399 6147 1 17 . 1 1 78 78 VAL CB C 72 32.311 32.311 34.708 -2.397 18399 6148 1 17 . 1 1 78 78 VAL H H 72 8.544 8.544 8.244 0.300 18399 6149 1 17 . 1 1 79 79 ALA N N 73 131.664 131.664 131.262 0.402 18399 6150 1 17 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.546 -0.223 18399 6151 1 17 . 1 1 79 79 ALA CA C 73 51.746 51.746 52.171 -0.425 18399 6152 1 17 . 1 1 79 79 ALA CB C 73 19.445 19.445 17.275 2.170 18399 6153 1 17 . 1 1 79 79 ALA H H 73 8.957 8.957 8.689 0.268 18399 6154 1 17 . 1 1 80 80 LEU N N 74 120.722 120.722 123.165 -2.443 18399 6155 1 17 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.142 0.137 18399 6156 1 17 . 1 1 80 80 LEU CA C 74 55.191 55.191 56.752 -1.561 18399 6157 1 17 . 1 1 80 80 LEU CB C 74 42.356 42.356 42.144 0.212 18399 6158 1 17 . 1 1 80 80 LEU H H 74 8.193 8.193 7.716 0.477 18399 6159 1 17 . 1 1 81 81 ARG N N 75 121.022 121.022 119.339 1.683 18399 6160 1 17 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.083 0.211 18399 6161 1 17 . 1 1 81 81 ARG CA C 75 55.604 55.604 58.056 -2.452 18399 6162 1 17 . 1 1 81 81 ARG CB C 75 30.856 30.856 30.002 0.854 18399 6163 1 17 . 1 1 81 81 ARG H H 75 8.207 8.207 8.160 0.047 18399 6164 1 17 . 1 1 82 82 ALA N N 76 125.815 125.815 119.663 6.152 18399 6165 1 17 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.554 -0.276 18399 6166 1 17 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.559 0.919 18399 6167 1 17 . 1 1 82 82 ALA CB C 76 18.813 18.813 20.337 -1.524 18399 6168 1 17 . 1 1 82 82 ALA H H 76 8.471 8.471 7.989 0.482 18399 6169 1 17 . 1 1 83 83 GLY N N 77 109.110 109.110 107.010 2.100 18399 6170 1 17 . 1 1 83 83 GLY CA C 77 45.336 45.336 44.518 0.818 18399 6171 1 17 . 1 1 83 83 GLY H H 77 8.506 8.506 8.101 0.405 18399 6172 1 18 . 1 1 8 8 LEU N N 2 125.142 125.142 122.569 2.573 18399 6173 1 18 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.080 -0.606 18399 6174 1 18 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.916 1.359 18399 6175 1 18 . 1 1 8 8 LEU CB C 2 41.902 41.902 44.047 -2.145 18399 6176 1 18 . 1 1 8 8 LEU H H 2 8.251 8.251 7.719 0.532 18399 6177 1 18 . 1 1 9 9 LEU N N 3 126.326 126.326 121.171 5.155 18399 6178 1 18 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.959 -0.163 18399 6179 1 18 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.336 -0.293 18399 6180 1 18 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.111 -1.603 18399 6181 1 18 . 1 1 9 9 LEU H H 3 8.307 8.307 8.355 -0.048 18399 6182 1 18 . 1 1 10 10 LYS N N 4 121.349 121.349 123.850 -2.501 18399 6183 1 18 . 1 1 10 10 LYS HA H 4 5.080 5.080 5.068 0.012 18399 6184 1 18 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.498 0.134 18399 6185 1 18 . 1 1 10 10 LYS CB C 4 34.425 34.425 34.319 0.106 18399 6186 1 18 . 1 1 10 10 LYS H H 4 8.428 8.428 8.553 -0.125 18399 6187 1 18 . 1 1 11 11 VAL N N 5 122.408 122.408 122.839 -0.431 18399 6188 1 18 . 1 1 11 11 VAL HA H 5 4.688 4.688 5.055 -0.367 18399 6189 1 18 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.071 1.255 18399 6190 1 18 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.914 0.916 18399 6191 1 18 . 1 1 11 11 VAL H H 5 9.088 9.088 8.369 0.719 18399 6192 1 18 . 1 1 12 12 LYS N N 6 127.778 127.778 124.870 2.908 18399 6193 1 18 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.194 0.158 18399 6194 1 18 . 1 1 12 12 LYS CA C 6 54.675 54.675 54.108 0.567 18399 6195 1 18 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.303 -1.119 18399 6196 1 18 . 1 1 12 12 LYS H H 6 9.029 9.029 8.506 0.523 18399 6197 1 18 . 1 1 13 13 THR N N 7 116.723 116.723 117.716 -0.993 18399 6198 1 18 . 1 1 13 13 THR HA H 7 4.860 4.860 4.410 0.450 18399 6199 1 18 . 1 1 13 13 THR CA C 7 60.392 60.392 60.168 0.224 18399 6200 1 18 . 1 1 13 13 THR CB C 7 71.189 71.189 70.763 0.426 18399 6201 1 18 . 1 1 13 13 THR H H 7 8.790 8.790 7.958 0.832 18399 6202 1 18 . 1 1 14 14 VAL N N 8 119.340 119.340 123.218 -3.878 18399 6203 1 18 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.003 0.100 18399 6204 1 18 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.611 0.101 18399 6205 1 18 . 1 1 14 14 VAL CB C 8 31.160 31.160 32.110 -0.950 18399 6206 1 18 . 1 1 14 14 VAL H H 8 8.872 8.872 8.573 0.299 18399 6207 1 18 . 1 1 15 15 SER N N 9 114.630 114.630 115.116 -0.486 18399 6208 1 18 . 1 1 15 15 SER HA H 9 4.513 4.513 4.423 0.090 18399 6209 1 18 . 1 1 15 15 SER CA C 9 57.913 57.913 58.566 -0.653 18399 6210 1 18 . 1 1 15 15 SER CB C 9 63.243 63.243 62.947 0.296 18399 6211 1 18 . 1 1 15 15 SER H H 9 7.859 7.859 7.794 0.065 18399 6212 1 18 . 1 1 16 16 ASN N N 10 115.509 115.509 117.437 -1.928 18399 6213 1 18 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.470 -0.278 18399 6214 1 18 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.808 0.153 18399 6215 1 18 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.541 -1.246 18399 6216 1 18 . 1 1 16 16 ASN H H 10 8.229 8.229 7.847 0.382 18399 6217 1 18 . 1 1 17 17 LYS N N 11 120.345 120.345 119.726 0.619 18399 6218 1 18 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.433 -0.178 18399 6219 1 18 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.214 1.133 18399 6220 1 18 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.522 0.414 18399 6221 1 18 . 1 1 17 17 LYS H H 11 7.315 7.315 7.691 -0.376 18399 6222 1 18 . 1 1 18 18 VAL N N 12 125.270 125.270 125.399 -0.129 18399 6223 1 18 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.488 0.149 18399 6224 1 18 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.641 0.108 18399 6225 1 18 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.787 -0.595 18399 6226 1 18 . 1 1 18 18 VAL H H 12 8.576 8.576 8.071 0.505 18399 6227 1 18 . 1 1 19 19 ILE N N 13 130.928 130.928 128.168 2.760 18399 6228 1 18 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.431 -0.278 18399 6229 1 18 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.439 1.006 18399 6230 1 18 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.040 1.155 18399 6231 1 18 . 1 1 19 19 ILE H H 13 9.486 9.486 8.885 0.601 18399 6232 1 18 . 1 1 20 20 GLN N N 14 124.762 124.762 126.940 -2.178 18399 6233 1 18 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.879 0.183 18399 6234 1 18 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.741 0.054 18399 6235 1 18 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.399 0.202 18399 6236 1 18 . 1 1 20 20 GLN H H 14 8.803 8.803 8.549 0.254 18399 6237 1 18 . 1 1 21 21 ILE N N 15 126.010 126.010 120.701 5.309 18399 6238 1 18 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.657 -0.144 18399 6239 1 18 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.578 0.061 18399 6240 1 18 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.783 -1.612 18399 6241 1 18 . 1 1 21 21 ILE H H 15 9.076 9.076 8.133 0.943 18399 6242 1 18 . 1 1 22 22 THR N N 16 118.074 118.074 117.063 1.011 18399 6243 1 18 . 1 1 22 22 THR HA H 16 4.904 4.904 4.510 0.394 18399 6244 1 18 . 1 1 22 22 THR CA C 16 61.462 61.462 61.281 0.181 18399 6245 1 18 . 1 1 22 22 THR CB C 16 69.657 69.657 68.702 0.955 18399 6246 1 18 . 1 1 22 22 THR H H 16 9.047 9.047 8.544 0.503 18399 6247 1 18 . 1 1 23 23 SER N N 17 113.130 113.130 117.970 -4.840 18399 6248 1 18 . 1 1 23 23 SER HA H 17 4.440 4.440 4.660 -0.220 18399 6249 1 18 . 1 1 23 23 SER CA C 17 58.002 58.002 58.143 -0.141 18399 6250 1 18 . 1 1 23 23 SER CB C 17 64.268 64.268 63.717 0.551 18399 6251 1 18 . 1 1 23 23 SER H H 17 7.330 7.330 8.272 -0.942 18399 6252 1 18 . 1 1 24 24 LEU N N 18 123.241 123.241 125.575 -2.334 18399 6253 1 18 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.723 0.017 18399 6254 1 18 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.873 -0.015 18399 6255 1 18 . 1 1 24 24 LEU CB C 18 42.490 42.490 45.017 -2.527 18399 6256 1 18 . 1 1 24 24 LEU H H 18 8.728 8.728 7.862 0.866 18399 6257 1 18 . 1 1 25 25 THR N N 19 111.915 111.915 114.476 -2.561 18399 6258 1 18 . 1 1 25 25 THR HA H 19 4.816 4.816 4.316 0.500 18399 6259 1 18 . 1 1 25 25 THR CA C 19 59.575 59.575 61.524 -1.949 18399 6260 1 18 . 1 1 25 25 THR CB C 19 72.043 72.043 70.343 1.700 18399 6261 1 18 . 1 1 25 25 THR H H 19 9.363 9.363 8.448 0.915 18399 6262 1 18 . 1 1 26 26 ASP N N 20 117.183 117.183 116.022 1.161 18399 6263 1 18 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.623 -0.290 18399 6264 1 18 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.710 2.019 18399 6265 1 18 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.102 -1.720 18399 6266 1 18 . 1 1 26 26 ASP H H 20 8.785 8.785 8.421 0.364 18399 6267 1 18 . 1 1 27 27 ASP N N 21 116.327 116.327 118.835 -2.508 18399 6268 1 18 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.550 0.124 18399 6269 1 18 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.672 -1.902 18399 6270 1 18 . 1 1 27 27 ASP CB C 21 42.294 42.294 42.068 0.226 18399 6271 1 18 . 1 1 27 27 ASP H H 21 7.775 7.775 8.392 -0.617 18399 6272 1 18 . 1 1 28 28 ASN N N 22 117.269 117.269 113.686 3.583 18399 6273 1 18 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.821 0.071 18399 6274 1 18 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.134 1.676 18399 6275 1 18 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.864 0.238 18399 6276 1 18 . 1 1 28 28 ASN H H 22 7.829 7.829 8.453 -0.624 18399 6277 1 18 . 1 1 29 29 THR N N 23 108.639 108.639 114.822 -6.183 18399 6278 1 18 . 1 1 29 29 THR HA H 23 5.206 5.206 3.846 1.360 18399 6279 1 18 . 1 1 29 29 THR CA C 23 59.830 59.830 66.069 -6.239 18399 6280 1 18 . 1 1 29 29 THR CB C 23 72.396 72.396 67.687 4.709 18399 6281 1 18 . 1 1 29 29 THR H H 23 9.145 9.145 8.141 1.004 18399 6282 1 18 . 1 1 30 30 ILE N N 24 120.336 120.336 122.945 -2.609 18399 6283 1 18 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.741 -0.055 18399 6284 1 18 . 1 1 30 30 ILE CA C 24 61.580 61.580 64.900 -3.321 18399 6285 1 18 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.590 -4.246 18399 6286 1 18 . 1 1 30 30 ILE H H 24 8.477 8.477 8.168 0.309 18399 6287 1 18 . 1 1 31 31 ALA N N 25 123.489 123.489 122.495 0.994 18399 6288 1 18 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.031 -0.160 18399 6289 1 18 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.287 0.669 18399 6290 1 18 . 1 1 31 31 ALA CB C 25 18.160 18.160 17.854 0.306 18399 6291 1 18 . 1 1 31 31 ALA H H 25 8.951 8.951 7.671 1.280 18399 6292 1 18 . 1 1 32 32 GLU N N 26 120.101 120.101 118.986 1.115 18399 6293 1 18 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.129 -0.114 18399 6294 1 18 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.085 0.266 18399 6295 1 18 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.247 -0.525 18399 6296 1 18 . 1 1 32 32 GLU H H 26 7.988 7.988 8.500 -0.512 18399 6297 1 18 . 1 1 33 33 LEU N N 27 124.025 124.025 120.371 3.654 18399 6298 1 18 . 1 1 33 33 LEU HA H 27 4.033 4.033 3.986 0.047 18399 6299 1 18 . 1 1 33 33 LEU CA C 27 58.662 58.662 58.318 0.344 18399 6300 1 18 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.228 -2.071 18399 6301 1 18 . 1 1 33 33 LEU H H 27 8.083 8.083 7.634 0.449 18399 6302 1 18 . 1 1 34 34 LYS N N 28 119.471 119.471 118.590 0.881 18399 6303 1 18 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.099 -0.300 18399 6304 1 18 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.712 1.798 18399 6305 1 18 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.748 0.100 18399 6306 1 18 . 1 1 34 34 LYS H H 28 8.746 8.746 8.618 0.128 18399 6307 1 18 . 1 1 35 35 GLY N N 29 106.034 106.034 107.855 -1.821 18399 6308 1 18 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.888 0.154 18399 6309 1 18 . 1 1 35 35 GLY H H 29 8.096 8.096 8.434 -0.338 18399 6310 1 18 . 1 1 36 36 LYS N N 30 121.196 121.196 121.682 -0.486 18399 6311 1 18 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.193 0.044 18399 6312 1 18 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.577 -1.234 18399 6313 1 18 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.253 -1.720 18399 6314 1 18 . 1 1 36 36 LYS H H 30 7.704 7.704 7.775 -0.071 18399 6315 1 18 . 1 1 37 37 LEU N N 31 121.657 121.657 121.296 0.361 18399 6316 1 18 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.163 0.132 18399 6317 1 18 . 1 1 37 37 LEU CA C 31 57.282 57.282 57.844 -0.562 18399 6318 1 18 . 1 1 37 37 LEU CB C 31 42.192 42.192 41.414 0.778 18399 6319 1 18 . 1 1 37 37 LEU H H 31 7.948 7.948 8.219 -0.271 18399 6320 1 18 . 1 1 38 38 GLU N N 32 123.295 123.295 118.952 4.343 18399 6321 1 18 . 1 1 38 38 GLU HA H 32 4.354 4.354 4.046 0.308 18399 6322 1 18 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.833 0.471 18399 6323 1 18 . 1 1 38 38 GLU CB C 32 29.339 29.339 28.611 0.728 18399 6324 1 18 . 1 1 38 38 GLU H H 32 8.714 8.714 8.290 0.424 18399 6325 1 18 . 1 1 39 39 GLU N N 33 118.296 118.296 119.857 -1.561 18399 6326 1 18 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.083 -0.097 18399 6327 1 18 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.792 0.349 18399 6328 1 18 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.561 0.041 18399 6329 1 18 . 1 1 39 39 GLU H H 33 7.470 7.470 7.864 -0.394 18399 6330 1 18 . 1 1 40 40 SER N N 34 112.266 112.266 114.544 -2.278 18399 6331 1 18 . 1 1 40 40 SER CA C 34 61.150 61.150 61.067 0.083 18399 6332 1 18 . 1 1 40 40 SER CB C 34 63.578 63.578 63.215 0.362 18399 6333 1 18 . 1 1 40 40 SER H H 34 8.054 8.054 7.922 0.132 18399 6334 1 18 . 1 1 41 41 GLU N N 35 116.449 116.449 119.953 -3.504 18399 6335 1 18 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.372 -0.005 18399 6336 1 18 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.482 -1.426 18399 6337 1 18 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.187 0.357 18399 6338 1 18 . 1 1 41 41 GLU H H 35 8.908 8.908 7.788 1.120 18399 6339 1 18 . 1 1 42 42 GLY N N 36 108.168 108.168 108.643 -0.475 18399 6340 1 18 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.053 0.371 18399 6341 1 18 . 1 1 42 42 GLY H H 36 7.930 7.930 7.996 -0.066 18399 6342 1 18 . 1 1 43 43 ILE N N 37 120.326 120.326 116.480 3.846 18399 6343 1 18 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.599 -0.869 18399 6344 1 18 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.509 1.710 18399 6345 1 18 . 1 1 43 43 ILE H H 37 6.446 6.446 7.367 -0.921 18399 6346 1 18 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.620 -0.444 18399 6347 1 18 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.588 0.430 18399 6348 1 18 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.697 -0.538 18399 6349 1 18 . 1 1 45 45 GLY N N 39 111.710 111.710 109.678 2.032 18399 6350 1 18 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.582 1.024 18399 6351 1 18 . 1 1 45 45 GLY H H 39 9.228 9.228 8.815 0.413 18399 6352 1 18 . 1 1 46 46 ASN N N 40 114.967 114.967 114.458 0.509 18399 6353 1 18 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.703 -0.191 18399 6354 1 18 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.554 0.919 18399 6355 1 18 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.181 -1.671 18399 6356 1 18 . 1 1 46 46 ASN H H 40 8.325 8.325 8.013 0.312 18399 6357 1 18 . 1 1 47 47 MET N N 41 118.446 118.446 119.680 -1.234 18399 6358 1 18 . 1 1 47 47 MET HA H 41 4.557 4.557 4.495 0.062 18399 6359 1 18 . 1 1 47 47 MET CA C 41 54.886 54.886 56.458 -1.572 18399 6360 1 18 . 1 1 47 47 MET CB C 41 32.632 32.632 33.685 -1.053 18399 6361 1 18 . 1 1 47 47 MET H H 41 8.247 8.247 7.978 0.269 18399 6362 1 18 . 1 1 48 48 ILE N N 42 119.569 119.569 116.977 2.592 18399 6363 1 18 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.815 0.281 18399 6364 1 18 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.596 1.153 18399 6365 1 18 . 1 1 48 48 ILE CB C 42 39.436 39.436 34.943 4.493 18399 6366 1 18 . 1 1 48 48 ILE H H 42 7.422 7.422 7.873 -0.451 18399 6367 1 18 . 1 1 49 49 ARG N N 43 127.179 127.179 121.928 5.251 18399 6368 1 18 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.583 -0.003 18399 6369 1 18 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.100 -0.138 18399 6370 1 18 . 1 1 49 49 ARG CB C 43 31.029 31.029 31.616 -0.587 18399 6371 1 18 . 1 1 49 49 ARG H H 43 8.967 8.967 7.982 0.985 18399 6372 1 18 . 1 1 50 50 LEU N N 44 122.639 122.639 122.539 0.100 18399 6373 1 18 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.308 0.099 18399 6374 1 18 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.523 -0.828 18399 6375 1 18 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.618 3.037 18399 6376 1 18 . 1 1 50 50 LEU H H 44 8.603 8.603 8.453 0.150 18399 6377 1 18 . 1 1 51 51 VAL N N 45 121.931 121.931 118.863 3.068 18399 6378 1 18 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.830 -0.122 18399 6379 1 18 . 1 1 51 51 VAL CA C 45 60.583 60.583 61.666 -1.083 18399 6380 1 18 . 1 1 51 51 VAL CB C 45 34.601 34.601 33.423 1.178 18399 6381 1 18 . 1 1 51 51 VAL H H 45 8.960 8.960 8.414 0.546 18399 6382 1 18 . 1 1 52 52 TYR N N 46 126.384 126.384 128.298 -1.914 18399 6383 1 18 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.853 0.236 18399 6384 1 18 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.447 -0.372 18399 6385 1 18 . 1 1 52 52 TYR CB C 46 41.669 41.669 40.280 1.389 18399 6386 1 18 . 1 1 52 52 TYR H H 46 8.879 8.879 8.902 -0.023 18399 6387 1 18 . 1 1 53 53 GLN N N 47 127.041 127.041 128.013 -0.972 18399 6388 1 18 . 1 1 53 53 GLN HA H 47 3.656 3.656 3.763 -0.107 18399 6389 1 18 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.467 -0.193 18399 6390 1 18 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.621 -2.180 18399 6391 1 18 . 1 1 53 53 GLN H H 47 9.323 9.323 9.177 0.146 18399 6392 1 18 . 1 1 54 54 GLY N N 48 102.991 102.991 101.709 1.282 18399 6393 1 18 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.238 0.135 18399 6394 1 18 . 1 1 54 54 GLY H H 48 8.358 8.358 8.610 -0.252 18399 6395 1 18 . 1 1 55 55 LYS N N 49 121.595 121.595 120.272 1.323 18399 6396 1 18 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.712 -0.095 18399 6397 1 18 . 1 1 55 55 LYS CA C 49 54.340 54.340 54.703 -0.363 18399 6398 1 18 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.784 -0.583 18399 6399 1 18 . 1 1 55 55 LYS H H 49 7.819 7.819 7.912 -0.093 18399 6400 1 18 . 1 1 56 56 GLN N N 50 122.484 122.484 118.541 3.943 18399 6401 1 18 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.780 -0.195 18399 6402 1 18 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.339 1.439 18399 6403 1 18 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.966 -2.265 18399 6404 1 18 . 1 1 56 56 GLN H H 50 8.757 8.757 8.223 0.534 18399 6405 1 18 . 1 1 57 57 LEU N N 51 125.130 125.130 120.995 4.135 18399 6406 1 18 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.074 0.226 18399 6407 1 18 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.612 -1.473 18399 6408 1 18 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.471 0.753 18399 6409 1 18 . 1 1 57 57 LEU H H 51 8.442 8.442 8.749 -0.307 18399 6410 1 18 . 1 1 58 58 GLU N N 52 122.551 122.551 120.546 2.005 18399 6411 1 18 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.467 -0.008 18399 6412 1 18 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.218 -0.108 18399 6413 1 18 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.231 0.815 18399 6414 1 18 . 1 1 58 58 GLU H H 52 8.125 8.125 8.591 -0.466 18399 6415 1 18 . 1 1 59 59 ASP N N 53 122.235 122.235 122.257 -0.022 18399 6416 1 18 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.304 -0.159 18399 6417 1 18 . 1 1 59 59 ASP CA C 53 57.699 57.699 57.965 -0.265 18399 6418 1 18 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.672 0.339 18399 6419 1 18 . 1 1 59 59 ASP H H 53 8.346 8.346 8.700 -0.354 18399 6420 1 18 . 1 1 60 60 GLU N N 54 113.128 113.128 116.950 -3.822 18399 6421 1 18 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.141 0.174 18399 6422 1 18 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.029 -0.693 18399 6423 1 18 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.541 -0.499 18399 6424 1 18 . 1 1 60 60 GLU H H 54 8.756 8.756 8.551 0.205 18399 6425 1 18 . 1 1 61 61 LYS N N 55 119.869 119.869 119.116 0.753 18399 6426 1 18 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.459 -0.208 18399 6427 1 18 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.748 1.208 18399 6428 1 18 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.724 1.220 18399 6429 1 18 . 1 1 61 61 LYS H H 55 7.677 7.677 7.627 0.050 18399 6430 1 18 . 1 1 62 62 ARG N N 56 117.724 117.724 120.192 -2.468 18399 6431 1 18 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.125 0.599 18399 6432 1 18 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.702 2.418 18399 6433 1 18 . 1 1 62 62 ARG H H 56 8.797 8.797 7.646 1.151 18399 6434 1 18 . 1 1 63 63 LEU N N 57 123.223 123.223 121.712 1.511 18399 6435 1 18 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.213 -0.175 18399 6436 1 18 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.378 2.046 18399 6437 1 18 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.705 -1.307 18399 6438 1 18 . 1 1 63 63 LEU H H 57 8.728 8.728 8.404 0.324 18399 6439 1 18 . 1 1 64 64 LYS N N 58 114.073 114.073 118.575 -4.502 18399 6440 1 18 . 1 1 64 64 LYS HA H 58 4.409 4.409 4.019 0.390 18399 6441 1 18 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.198 -1.364 18399 6442 1 18 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.665 -0.541 18399 6443 1 18 . 1 1 64 64 LYS H H 58 8.681 8.681 8.265 0.416 18399 6444 1 18 . 1 1 65 65 ASP N N 59 120.640 120.640 118.660 1.980 18399 6445 1 18 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.641 -0.222 18399 6446 1 18 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.849 0.657 18399 6447 1 18 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.741 -0.693 18399 6448 1 18 . 1 1 65 65 ASP H H 59 7.862 7.862 8.186 -0.324 18399 6449 1 18 . 1 1 66 66 TYR N N 60 117.775 117.775 121.057 -3.282 18399 6450 1 18 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.286 0.330 18399 6451 1 18 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.580 -2.430 18399 6452 1 18 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.824 0.505 18399 6453 1 18 . 1 1 66 66 TYR H H 60 7.545 7.545 7.993 -0.448 18399 6454 1 18 . 1 1 67 67 GLN N N 61 117.450 117.450 117.334 0.116 18399 6455 1 18 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.068 0.115 18399 6456 1 18 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.160 -0.543 18399 6457 1 18 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.463 -1.885 18399 6458 1 18 . 1 1 67 67 GLN H H 61 8.155 8.155 7.751 0.404 18399 6459 1 18 . 1 1 68 68 MET N N 62 120.193 120.193 118.669 1.524 18399 6460 1 18 . 1 1 68 68 MET HA H 62 4.470 4.470 4.428 0.042 18399 6461 1 18 . 1 1 68 68 MET CA C 62 55.767 55.767 55.532 0.235 18399 6462 1 18 . 1 1 68 68 MET CB C 62 33.105 33.105 33.033 0.072 18399 6463 1 18 . 1 1 68 68 MET H H 62 7.997 7.997 7.480 0.517 18399 6464 1 18 . 1 1 69 69 SER N N 63 116.722 116.722 111.979 4.743 18399 6465 1 18 . 1 1 69 69 SER HA H 63 4.530 4.530 4.212 0.318 18399 6466 1 18 . 1 1 69 69 SER CA C 63 57.654 57.654 59.289 -1.635 18399 6467 1 18 . 1 1 69 69 SER CB C 63 64.803 64.803 62.357 2.446 18399 6468 1 18 . 1 1 69 69 SER H H 63 8.073 8.073 8.711 -0.638 18399 6469 1 18 . 1 1 70 70 ALA N N 64 123.286 123.286 120.873 2.413 18399 6470 1 18 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.470 -0.214 18399 6471 1 18 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.022 1.544 18399 6472 1 18 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.462 -1.220 18399 6473 1 18 . 1 1 70 70 ALA H H 64 8.492 8.492 8.034 0.458 18399 6474 1 18 . 1 1 71 71 GLY N N 65 110.294 110.294 108.168 2.126 18399 6475 1 18 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.440 0.687 18399 6476 1 18 . 1 1 71 71 GLY H H 65 8.907 8.907 8.047 0.860 18399 6477 1 18 . 1 1 72 72 ALA N N 66 123.229 123.229 129.228 -5.999 18399 6478 1 18 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.346 -0.058 18399 6479 1 18 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.227 0.649 18399 6480 1 18 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.477 0.349 18399 6481 1 18 . 1 1 72 72 ALA H H 66 7.572 7.572 8.535 -0.963 18399 6482 1 18 . 1 1 73 73 THR N N 67 116.161 116.161 115.837 0.324 18399 6483 1 18 . 1 1 73 73 THR HA H 67 5.060 5.060 5.024 0.036 18399 6484 1 18 . 1 1 73 73 THR CA C 67 61.493 61.493 60.178 1.315 18399 6485 1 18 . 1 1 73 73 THR CB C 67 71.022 71.022 71.246 -0.224 18399 6486 1 18 . 1 1 73 73 THR H H 67 8.253 8.253 8.813 -0.560 18399 6487 1 18 . 1 1 74 74 PHE N N 68 124.518 124.518 126.164 -1.646 18399 6488 1 18 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.263 0.106 18399 6489 1 18 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.483 -2.470 18399 6490 1 18 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.900 -1.007 18399 6491 1 18 . 1 1 74 74 PHE H H 68 8.989 8.989 8.528 0.461 18399 6492 1 18 . 1 1 75 75 HIS N N 69 120.835 120.835 126.458 -5.623 18399 6493 1 18 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.878 0.268 18399 6494 1 18 . 1 1 75 75 HIS CA C 69 56.131 56.131 54.651 1.480 18399 6495 1 18 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.982 -0.398 18399 6496 1 18 . 1 1 75 75 HIS H H 69 9.300 9.300 8.655 0.645 18399 6497 1 18 . 1 1 76 76 MET N N 70 122.731 122.731 122.211 0.520 18399 6498 1 18 . 1 1 76 76 MET HA H 70 5.199 5.199 4.765 0.434 18399 6499 1 18 . 1 1 76 76 MET CA C 70 54.683 54.683 54.880 -0.197 18399 6500 1 18 . 1 1 76 76 MET CB C 70 35.426 35.426 35.943 -0.517 18399 6501 1 18 . 1 1 76 76 MET H H 70 8.563 8.563 8.227 0.336 18399 6502 1 18 . 1 1 77 77 VAL N N 71 128.801 128.801 126.928 1.873 18399 6503 1 18 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.341 -0.064 18399 6504 1 18 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.935 0.408 18399 6505 1 18 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.302 1.354 18399 6506 1 18 . 1 1 77 77 VAL H H 71 9.118 9.118 8.518 0.600 18399 6507 1 18 . 1 1 78 78 VAL N N 72 125.528 125.528 128.383 -2.855 18399 6508 1 18 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.206 0.412 18399 6509 1 18 . 1 1 78 78 VAL CA C 72 61.485 61.485 61.017 0.468 18399 6510 1 18 . 1 1 78 78 VAL CB C 72 32.311 32.311 30.678 1.633 18399 6511 1 18 . 1 1 78 78 VAL H H 72 8.544 8.544 8.650 -0.106 18399 6512 1 18 . 1 1 79 79 ALA N N 73 131.664 131.664 130.919 0.745 18399 6513 1 18 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.640 -0.317 18399 6514 1 18 . 1 1 79 79 ALA CA C 73 51.746 51.746 52.137 -0.391 18399 6515 1 18 . 1 1 79 79 ALA CB C 73 19.445 19.445 19.622 -0.177 18399 6516 1 18 . 1 1 79 79 ALA H H 73 8.957 8.957 8.376 0.581 18399 6517 1 18 . 1 1 80 80 LEU N N 74 120.722 120.722 123.093 -2.371 18399 6518 1 18 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.686 -0.407 18399 6519 1 18 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.163 0.028 18399 6520 1 18 . 1 1 80 80 LEU CB C 74 42.356 42.356 42.287 0.069 18399 6521 1 18 . 1 1 80 80 LEU H H 74 8.193 8.193 8.366 -0.173 18399 6522 1 18 . 1 1 81 81 ARG N N 75 121.022 121.022 118.668 2.354 18399 6523 1 18 . 1 1 81 81 ARG HA H 75 4.294 4.294 3.993 0.301 18399 6524 1 18 . 1 1 81 81 ARG CA C 75 55.604 55.604 56.862 -1.258 18399 6525 1 18 . 1 1 81 81 ARG CB C 75 30.856 30.856 29.019 1.837 18399 6526 1 18 . 1 1 81 81 ARG H H 75 8.207 8.207 8.410 -0.203 18399 6527 1 18 . 1 1 82 82 ALA N N 76 125.815 125.815 121.001 4.814 18399 6528 1 18 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.154 0.124 18399 6529 1 18 . 1 1 82 82 ALA CA C 76 52.478 52.478 52.175 0.303 18399 6530 1 18 . 1 1 82 82 ALA CB C 76 18.813 18.813 19.198 -0.385 18399 6531 1 18 . 1 1 82 82 ALA H H 76 8.471 8.471 8.221 0.250 18399 6532 1 18 . 1 1 83 83 GLY N N 77 109.110 109.110 108.524 0.586 18399 6533 1 18 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.952 -0.616 18399 6534 1 18 . 1 1 83 83 GLY H H 77 8.506 8.506 9.470 -0.964 18399 6535 1 19 . 1 1 8 8 LEU N N 2 125.142 125.142 121.611 3.531 18399 6536 1 19 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.162 -0.688 18399 6537 1 19 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.843 1.432 18399 6538 1 19 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.644 -1.742 18399 6539 1 19 . 1 1 8 8 LEU H H 2 8.251 8.251 7.721 0.530 18399 6540 1 19 . 1 1 9 9 LEU N N 3 126.326 126.326 121.516 4.810 18399 6541 1 19 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.937 -0.141 18399 6542 1 19 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.275 -0.232 18399 6543 1 19 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.038 -1.530 18399 6544 1 19 . 1 1 9 9 LEU H H 3 8.307 8.307 8.223 0.084 18399 6545 1 19 . 1 1 10 10 LYS N N 4 121.349 121.349 123.342 -1.993 18399 6546 1 19 . 1 1 10 10 LYS HA H 4 5.080 5.080 4.978 0.102 18399 6547 1 19 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.776 -0.144 18399 6548 1 19 . 1 1 10 10 LYS CB C 4 34.425 34.425 33.992 0.433 18399 6549 1 19 . 1 1 10 10 LYS H H 4 8.428 8.428 8.484 -0.056 18399 6550 1 19 . 1 1 11 11 VAL N N 5 122.408 122.408 122.577 -0.169 18399 6551 1 19 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.768 -0.080 18399 6552 1 19 . 1 1 11 11 VAL CA C 5 60.326 60.326 60.196 0.130 18399 6553 1 19 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.984 0.846 18399 6554 1 19 . 1 1 11 11 VAL H H 5 9.088 9.088 8.537 0.551 18399 6555 1 19 . 1 1 12 12 LYS N N 6 127.778 127.778 125.160 2.618 18399 6556 1 19 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.127 0.225 18399 6557 1 19 . 1 1 12 12 LYS CA C 6 54.675 54.675 53.988 0.687 18399 6558 1 19 . 1 1 12 12 LYS CB C 6 34.184 34.184 34.696 -0.512 18399 6559 1 19 . 1 1 12 12 LYS H H 6 9.029 9.029 8.564 0.465 18399 6560 1 19 . 1 1 13 13 THR N N 7 116.723 116.723 119.004 -2.281 18399 6561 1 19 . 1 1 13 13 THR HA H 7 4.860 4.860 4.394 0.466 18399 6562 1 19 . 1 1 13 13 THR CA C 7 60.392 60.392 60.997 -0.605 18399 6563 1 19 . 1 1 13 13 THR CB C 7 71.189 71.189 70.245 0.944 18399 6564 1 19 . 1 1 13 13 THR H H 7 8.790 8.790 8.282 0.508 18399 6565 1 19 . 1 1 14 14 VAL N N 8 119.340 119.340 121.832 -2.492 18399 6566 1 19 . 1 1 14 14 VAL HA H 8 4.103 4.103 3.976 0.127 18399 6567 1 19 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.042 0.670 18399 6568 1 19 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.365 -0.205 18399 6569 1 19 . 1 1 14 14 VAL H H 8 8.872 8.872 8.470 0.402 18399 6570 1 19 . 1 1 15 15 SER N N 9 114.630 114.630 114.996 -0.366 18399 6571 1 19 . 1 1 15 15 SER HA H 9 4.513 4.513 4.431 0.082 18399 6572 1 19 . 1 1 15 15 SER CA C 9 57.913 57.913 58.556 -0.643 18399 6573 1 19 . 1 1 15 15 SER CB C 9 63.243 63.243 62.671 0.572 18399 6574 1 19 . 1 1 15 15 SER H H 9 7.859 7.859 7.979 -0.120 18399 6575 1 19 . 1 1 16 16 ASN N N 10 115.509 115.509 117.721 -2.212 18399 6576 1 19 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.401 -0.209 18399 6577 1 19 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.523 0.438 18399 6578 1 19 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.676 -1.381 18399 6579 1 19 . 1 1 16 16 ASN H H 10 8.229 8.229 7.905 0.324 18399 6580 1 19 . 1 1 17 17 LYS N N 11 120.345 120.345 119.761 0.584 18399 6581 1 19 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.448 -0.193 18399 6582 1 19 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.234 1.113 18399 6583 1 19 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.954 -0.018 18399 6584 1 19 . 1 1 17 17 LYS H H 11 7.315 7.315 7.485 -0.170 18399 6585 1 19 . 1 1 18 18 VAL N N 12 125.270 125.270 124.978 0.292 18399 6586 1 19 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.666 -0.029 18399 6587 1 19 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.370 0.379 18399 6588 1 19 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.898 -0.706 18399 6589 1 19 . 1 1 18 18 VAL H H 12 8.576 8.576 8.242 0.334 18399 6590 1 19 . 1 1 19 19 ILE N N 13 130.928 130.928 128.259 2.669 18399 6591 1 19 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.386 -0.233 18399 6592 1 19 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.635 0.810 18399 6593 1 19 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.681 0.513 18399 6594 1 19 . 1 1 19 19 ILE H H 13 9.486 9.486 8.992 0.494 18399 6595 1 19 . 1 1 20 20 GLN N N 14 124.762 124.762 127.130 -2.368 18399 6596 1 19 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.835 0.227 18399 6597 1 19 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.564 0.231 18399 6598 1 19 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.259 0.342 18399 6599 1 19 . 1 1 20 20 GLN H H 14 8.803 8.803 8.493 0.310 18399 6600 1 19 . 1 1 21 21 ILE N N 15 126.010 126.010 121.011 4.999 18399 6601 1 19 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.620 -0.107 18399 6602 1 19 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.721 -0.082 18399 6603 1 19 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.334 -1.163 18399 6604 1 19 . 1 1 21 21 ILE H H 15 9.076 9.076 8.128 0.948 18399 6605 1 19 . 1 1 22 22 THR N N 16 118.074 118.074 117.275 0.799 18399 6606 1 19 . 1 1 22 22 THR HA H 16 4.904 4.904 4.604 0.300 18399 6607 1 19 . 1 1 22 22 THR CA C 16 61.462 61.462 61.632 -0.170 18399 6608 1 19 . 1 1 22 22 THR CB C 16 69.657 69.657 68.433 1.224 18399 6609 1 19 . 1 1 22 22 THR H H 16 9.047 9.047 8.478 0.569 18399 6610 1 19 . 1 1 23 23 SER N N 17 113.130 113.130 118.208 -5.078 18399 6611 1 19 . 1 1 23 23 SER HA H 17 4.440 4.440 4.628 -0.188 18399 6612 1 19 . 1 1 23 23 SER CA C 17 58.002 58.002 58.645 -0.643 18399 6613 1 19 . 1 1 23 23 SER CB C 17 64.268 64.268 63.674 0.594 18399 6614 1 19 . 1 1 23 23 SER H H 17 7.330 7.330 8.281 -0.951 18399 6615 1 19 . 1 1 24 24 LEU N N 18 123.241 123.241 124.766 -1.525 18399 6616 1 19 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.792 -0.053 18399 6617 1 19 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.321 0.537 18399 6618 1 19 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.956 -2.466 18399 6619 1 19 . 1 1 24 24 LEU H H 18 8.728 8.728 7.921 0.807 18399 6620 1 19 . 1 1 25 25 THR N N 19 111.915 111.915 115.430 -3.515 18399 6621 1 19 . 1 1 25 25 THR HA H 19 4.816 4.816 4.375 0.441 18399 6622 1 19 . 1 1 25 25 THR CA C 19 59.575 59.575 61.848 -2.273 18399 6623 1 19 . 1 1 25 25 THR CB C 19 72.043 72.043 70.140 1.903 18399 6624 1 19 . 1 1 25 25 THR H H 19 9.363 9.363 8.267 1.096 18399 6625 1 19 . 1 1 26 26 ASP N N 20 117.183 117.183 115.193 1.990 18399 6626 1 19 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.763 -0.430 18399 6627 1 19 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.445 2.284 18399 6628 1 19 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.267 -1.885 18399 6629 1 19 . 1 1 26 26 ASP H H 20 8.785 8.785 8.337 0.448 18399 6630 1 19 . 1 1 27 27 ASP N N 21 116.327 116.327 117.849 -1.522 18399 6631 1 19 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.569 0.105 18399 6632 1 19 . 1 1 27 27 ASP CA C 21 54.770 54.770 55.187 -0.417 18399 6633 1 19 . 1 1 27 27 ASP CB C 21 42.294 42.294 41.595 0.699 18399 6634 1 19 . 1 1 27 27 ASP H H 21 7.775 7.775 8.118 -0.343 18399 6635 1 19 . 1 1 28 28 ASN N N 22 117.269 117.269 114.470 2.799 18399 6636 1 19 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.795 0.097 18399 6637 1 19 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.771 1.039 18399 6638 1 19 . 1 1 28 28 ASN CB C 22 41.101 41.101 39.698 1.403 18399 6639 1 19 . 1 1 28 28 ASN H H 22 7.829 7.829 8.139 -0.310 18399 6640 1 19 . 1 1 29 29 THR N N 23 108.639 108.639 113.863 -5.224 18399 6641 1 19 . 1 1 29 29 THR HA H 23 5.206 5.206 3.908 1.298 18399 6642 1 19 . 1 1 29 29 THR CA C 23 59.830 59.830 66.249 -6.418 18399 6643 1 19 . 1 1 29 29 THR CB C 23 72.396 72.396 67.520 4.876 18399 6644 1 19 . 1 1 29 29 THR H H 23 9.145 9.145 8.021 1.124 18399 6645 1 19 . 1 1 30 30 ILE N N 24 120.336 120.336 122.552 -2.216 18399 6646 1 19 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.830 -0.144 18399 6647 1 19 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.344 -3.764 18399 6648 1 19 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.790 -4.446 18399 6649 1 19 . 1 1 30 30 ILE H H 24 8.477 8.477 8.113 0.364 18399 6650 1 19 . 1 1 31 31 ALA N N 25 123.489 123.489 122.448 1.041 18399 6651 1 19 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.062 -0.191 18399 6652 1 19 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.339 0.617 18399 6653 1 19 . 1 1 31 31 ALA CB C 25 18.160 18.160 17.900 0.260 18399 6654 1 19 . 1 1 31 31 ALA H H 25 8.951 8.951 7.729 1.222 18399 6655 1 19 . 1 1 32 32 GLU N N 26 120.101 120.101 119.158 0.943 18399 6656 1 19 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.161 -0.146 18399 6657 1 19 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.075 0.276 18399 6658 1 19 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.257 -0.535 18399 6659 1 19 . 1 1 32 32 GLU H H 26 7.988 7.988 8.550 -0.562 18399 6660 1 19 . 1 1 33 33 LEU N N 27 124.025 124.025 120.312 3.713 18399 6661 1 19 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.028 0.005 18399 6662 1 19 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.787 0.875 18399 6663 1 19 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.170 -2.013 18399 6664 1 19 . 1 1 33 33 LEU H H 27 8.083 8.083 7.878 0.205 18399 6665 1 19 . 1 1 34 34 LYS N N 28 119.471 119.471 118.653 0.818 18399 6666 1 19 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.157 -0.358 18399 6667 1 19 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.611 1.899 18399 6668 1 19 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.661 0.187 18399 6669 1 19 . 1 1 34 34 LYS H H 28 8.746 8.746 8.692 0.054 18399 6670 1 19 . 1 1 35 35 GLY N N 29 106.034 106.034 107.844 -1.810 18399 6671 1 19 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.874 0.168 18399 6672 1 19 . 1 1 35 35 GLY H H 29 8.096 8.096 8.494 -0.398 18399 6673 1 19 . 1 1 36 36 LYS N N 30 121.196 121.196 122.094 -0.898 18399 6674 1 19 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.160 0.077 18399 6675 1 19 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.804 -1.462 18399 6676 1 19 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.428 -1.895 18399 6677 1 19 . 1 1 36 36 LYS H H 30 7.704 7.704 7.819 -0.115 18399 6678 1 19 . 1 1 37 37 LEU N N 31 121.657 121.657 121.224 0.433 18399 6679 1 19 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.079 0.216 18399 6680 1 19 . 1 1 37 37 LEU CA C 31 57.282 57.282 57.968 -0.686 18399 6681 1 19 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.218 -0.026 18399 6682 1 19 . 1 1 37 37 LEU H H 31 7.948 7.948 8.306 -0.358 18399 6683 1 19 . 1 1 38 38 GLU N N 32 123.295 123.295 118.657 4.638 18399 6684 1 19 . 1 1 38 38 GLU HA H 32 4.354 4.354 4.018 0.336 18399 6685 1 19 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.801 0.503 18399 6686 1 19 . 1 1 38 38 GLU CB C 32 29.339 29.339 28.701 0.638 18399 6687 1 19 . 1 1 38 38 GLU H H 32 8.714 8.714 8.278 0.436 18399 6688 1 19 . 1 1 39 39 GLU N N 33 118.296 118.296 119.429 -1.133 18399 6689 1 19 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.085 -0.099 18399 6690 1 19 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.790 0.352 18399 6691 1 19 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.635 -0.033 18399 6692 1 19 . 1 1 39 39 GLU H H 33 7.470 7.470 7.835 -0.365 18399 6693 1 19 . 1 1 40 40 SER N N 34 112.266 112.266 114.686 -2.420 18399 6694 1 19 . 1 1 40 40 SER CA C 34 61.150 61.150 61.243 -0.093 18399 6695 1 19 . 1 1 40 40 SER CB C 34 63.578 63.578 63.114 0.464 18399 6696 1 19 . 1 1 40 40 SER H H 34 8.054 8.054 7.939 0.115 18399 6697 1 19 . 1 1 41 41 GLU N N 35 116.449 116.449 120.022 -3.573 18399 6698 1 19 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.390 -0.023 18399 6699 1 19 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.588 -1.532 18399 6700 1 19 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.042 0.502 18399 6701 1 19 . 1 1 41 41 GLU H H 35 8.908 8.908 7.808 1.100 18399 6702 1 19 . 1 1 42 42 GLY N N 36 108.168 108.168 108.516 -0.348 18399 6703 1 19 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.084 0.341 18399 6704 1 19 . 1 1 42 42 GLY H H 36 7.930 7.930 7.691 0.239 18399 6705 1 19 . 1 1 43 43 ILE N N 37 120.326 120.326 116.128 4.198 18399 6706 1 19 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.538 -0.808 18399 6707 1 19 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.469 1.750 18399 6708 1 19 . 1 1 43 43 ILE H H 37 6.446 6.446 7.223 -0.777 18399 6709 1 19 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.610 -0.434 18399 6710 1 19 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.600 0.418 18399 6711 1 19 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.656 -0.497 18399 6712 1 19 . 1 1 45 45 GLY N N 39 111.710 111.710 109.059 2.651 18399 6713 1 19 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.605 1.001 18399 6714 1 19 . 1 1 45 45 GLY H H 39 9.228 9.228 8.848 0.380 18399 6715 1 19 . 1 1 46 46 ASN N N 40 114.967 114.967 114.373 0.594 18399 6716 1 19 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.703 -0.191 18399 6717 1 19 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.639 0.834 18399 6718 1 19 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.389 -1.879 18399 6719 1 19 . 1 1 46 46 ASN H H 40 8.325 8.325 7.886 0.439 18399 6720 1 19 . 1 1 47 47 MET N N 41 118.446 118.446 119.258 -0.812 18399 6721 1 19 . 1 1 47 47 MET HA H 41 4.557 4.557 4.526 0.031 18399 6722 1 19 . 1 1 47 47 MET CA C 41 54.886 54.886 56.880 -1.994 18399 6723 1 19 . 1 1 47 47 MET CB C 41 32.632 32.632 33.700 -1.068 18399 6724 1 19 . 1 1 47 47 MET H H 41 8.247 8.247 7.905 0.342 18399 6725 1 19 . 1 1 48 48 ILE N N 42 119.569 119.569 117.863 1.706 18399 6726 1 19 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.760 0.336 18399 6727 1 19 . 1 1 48 48 ILE CA C 42 62.749 62.749 62.135 0.614 18399 6728 1 19 . 1 1 48 48 ILE CB C 42 39.436 39.436 35.579 3.857 18399 6729 1 19 . 1 1 48 48 ILE H H 42 7.422 7.422 7.766 -0.344 18399 6730 1 19 . 1 1 49 49 ARG N N 43 127.179 127.179 121.558 5.621 18399 6731 1 19 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.673 -0.093 18399 6732 1 19 . 1 1 49 49 ARG CA C 43 53.962 53.962 53.746 0.216 18399 6733 1 19 . 1 1 49 49 ARG CB C 43 31.029 31.029 31.653 -0.624 18399 6734 1 19 . 1 1 49 49 ARG H H 43 8.967 8.967 7.964 1.003 18399 6735 1 19 . 1 1 50 50 LEU N N 44 122.639 122.639 121.692 0.947 18399 6736 1 19 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.236 0.171 18399 6737 1 19 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.462 -0.767 18399 6738 1 19 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.879 2.776 18399 6739 1 19 . 1 1 50 50 LEU H H 44 8.603 8.603 8.488 0.115 18399 6740 1 19 . 1 1 51 51 VAL N N 45 121.931 121.931 118.987 2.944 18399 6741 1 19 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.816 -0.108 18399 6742 1 19 . 1 1 51 51 VAL CA C 45 60.583 60.583 61.214 -0.631 18399 6743 1 19 . 1 1 51 51 VAL CB C 45 34.601 34.601 33.444 1.157 18399 6744 1 19 . 1 1 51 51 VAL H H 45 8.960 8.960 8.605 0.355 18399 6745 1 19 . 1 1 52 52 TYR N N 46 126.384 126.384 128.527 -2.143 18399 6746 1 19 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.792 0.297 18399 6747 1 19 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.200 -0.125 18399 6748 1 19 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.882 1.787 18399 6749 1 19 . 1 1 52 52 TYR H H 46 8.879 8.879 8.846 0.033 18399 6750 1 19 . 1 1 53 53 GLN N N 47 127.041 127.041 128.054 -1.013 18399 6751 1 19 . 1 1 53 53 GLN HA H 47 3.656 3.656 3.954 -0.298 18399 6752 1 19 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.615 -0.341 18399 6753 1 19 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.814 -2.373 18399 6754 1 19 . 1 1 53 53 GLN H H 47 9.323 9.323 9.525 -0.202 18399 6755 1 19 . 1 1 54 54 GLY N N 48 102.991 102.991 102.640 0.351 18399 6756 1 19 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.329 0.044 18399 6757 1 19 . 1 1 54 54 GLY H H 48 8.358 8.358 8.643 -0.285 18399 6758 1 19 . 1 1 55 55 LYS N N 49 121.595 121.595 120.979 0.616 18399 6759 1 19 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.690 -0.073 18399 6760 1 19 . 1 1 55 55 LYS CA C 49 54.340 54.340 54.443 -0.103 18399 6761 1 19 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.661 -0.460 18399 6762 1 19 . 1 1 55 55 LYS H H 49 7.819 7.819 8.001 -0.182 18399 6763 1 19 . 1 1 56 56 GLN N N 50 122.484 122.484 119.099 3.385 18399 6764 1 19 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.731 -0.146 18399 6765 1 19 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.575 1.203 18399 6766 1 19 . 1 1 56 56 GLN CB C 50 28.701 28.701 31.186 -2.486 18399 6767 1 19 . 1 1 56 56 GLN H H 50 8.757 8.757 8.457 0.300 18399 6768 1 19 . 1 1 57 57 LEU N N 51 125.130 125.130 120.034 5.096 18399 6769 1 19 . 1 1 57 57 LEU HA H 51 4.300 4.300 3.980 0.320 18399 6770 1 19 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.244 -1.105 18399 6771 1 19 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.246 0.979 18399 6772 1 19 . 1 1 57 57 LEU H H 51 8.442 8.442 9.025 -0.583 18399 6773 1 19 . 1 1 58 58 GLU N N 52 122.551 122.551 121.061 1.490 18399 6774 1 19 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.474 -0.015 18399 6775 1 19 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.789 -0.679 18399 6776 1 19 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.389 0.657 18399 6777 1 19 . 1 1 58 58 GLU H H 52 8.125 8.125 8.790 -0.665 18399 6778 1 19 . 1 1 59 59 ASP N N 53 122.235 122.235 122.088 0.147 18399 6779 1 19 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.374 -0.229 18399 6780 1 19 . 1 1 59 59 ASP CA C 53 57.699 57.699 58.201 -0.502 18399 6781 1 19 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.730 0.281 18399 6782 1 19 . 1 1 59 59 ASP H H 53 8.346 8.346 8.804 -0.458 18399 6783 1 19 . 1 1 60 60 GLU N N 54 113.128 113.128 117.272 -4.144 18399 6784 1 19 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.143 0.172 18399 6785 1 19 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.137 -0.801 18399 6786 1 19 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.655 -0.613 18399 6787 1 19 . 1 1 60 60 GLU H H 54 8.756 8.756 8.474 0.282 18399 6788 1 19 . 1 1 61 61 LYS N N 55 119.869 119.869 118.962 0.907 18399 6789 1 19 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.448 -0.197 18399 6790 1 19 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.785 1.172 18399 6791 1 19 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.502 1.442 18399 6792 1 19 . 1 1 61 61 LYS H H 55 7.677 7.677 7.660 0.017 18399 6793 1 19 . 1 1 62 62 ARG N N 56 117.724 117.724 120.240 -2.516 18399 6794 1 19 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.183 0.541 18399 6795 1 19 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.735 2.385 18399 6796 1 19 . 1 1 62 62 ARG H H 56 8.797 8.797 7.683 1.114 18399 6797 1 19 . 1 1 63 63 LEU N N 57 123.223 123.223 121.746 1.477 18399 6798 1 19 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.224 -0.186 18399 6799 1 19 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.360 2.064 18399 6800 1 19 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.706 -1.308 18399 6801 1 19 . 1 1 63 63 LEU H H 57 8.728 8.728 8.422 0.306 18399 6802 1 19 . 1 1 64 64 LYS N N 58 114.073 114.073 118.488 -4.415 18399 6803 1 19 . 1 1 64 64 LYS HA H 58 4.409 4.409 3.999 0.410 18399 6804 1 19 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.094 -1.260 18399 6805 1 19 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.608 -0.484 18399 6806 1 19 . 1 1 64 64 LYS H H 58 8.681 8.681 8.273 0.408 18399 6807 1 19 . 1 1 65 65 ASP N N 59 120.640 120.640 118.697 1.943 18399 6808 1 19 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.529 -0.110 18399 6809 1 19 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.755 0.751 18399 6810 1 19 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.949 -0.901 18399 6811 1 19 . 1 1 65 65 ASP H H 59 7.862 7.862 8.092 -0.230 18399 6812 1 19 . 1 1 66 66 TYR N N 60 117.775 117.775 119.965 -2.190 18399 6813 1 19 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.246 0.370 18399 6814 1 19 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.813 -2.663 18399 6815 1 19 . 1 1 66 66 TYR CB C 60 39.329 39.329 39.175 0.154 18399 6816 1 19 . 1 1 66 66 TYR H H 60 7.545 7.545 7.941 -0.396 18399 6817 1 19 . 1 1 67 67 GLN N N 61 117.450 117.450 116.859 0.591 18399 6818 1 19 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.079 0.104 18399 6819 1 19 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.308 -0.691 18399 6820 1 19 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.379 -1.801 18399 6821 1 19 . 1 1 67 67 GLN H H 61 8.155 8.155 7.958 0.197 18399 6822 1 19 . 1 1 68 68 MET N N 62 120.193 120.193 118.107 2.086 18399 6823 1 19 . 1 1 68 68 MET HA H 62 4.470 4.470 4.394 0.076 18399 6824 1 19 . 1 1 68 68 MET CA C 62 55.767 55.767 55.829 -0.062 18399 6825 1 19 . 1 1 68 68 MET CB C 62 33.105 33.105 32.706 0.399 18399 6826 1 19 . 1 1 68 68 MET H H 62 7.997 7.997 7.353 0.644 18399 6827 1 19 . 1 1 69 69 SER N N 63 116.722 116.722 112.081 4.641 18399 6828 1 19 . 1 1 69 69 SER HA H 63 4.530 4.530 4.164 0.366 18399 6829 1 19 . 1 1 69 69 SER CA C 63 57.654 57.654 59.357 -1.703 18399 6830 1 19 . 1 1 69 69 SER CB C 63 64.803 64.803 62.412 2.391 18399 6831 1 19 . 1 1 69 69 SER H H 63 8.073 8.073 8.646 -0.573 18399 6832 1 19 . 1 1 70 70 ALA N N 64 123.286 123.286 120.569 2.717 18399 6833 1 19 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.458 -0.202 18399 6834 1 19 . 1 1 70 70 ALA CA C 64 53.566 53.566 51.980 1.586 18399 6835 1 19 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.346 -1.104 18399 6836 1 19 . 1 1 70 70 ALA H H 64 8.492 8.492 8.011 0.481 18399 6837 1 19 . 1 1 71 71 GLY N N 65 110.294 110.294 108.178 2.116 18399 6838 1 19 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.493 0.634 18399 6839 1 19 . 1 1 71 71 GLY H H 65 8.907 8.907 8.023 0.884 18399 6840 1 19 . 1 1 72 72 ALA N N 66 123.229 123.229 129.278 -6.049 18399 6841 1 19 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.231 0.057 18399 6842 1 19 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.209 0.667 18399 6843 1 19 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.444 0.382 18399 6844 1 19 . 1 1 72 72 ALA H H 66 7.572 7.572 8.665 -1.093 18399 6845 1 19 . 1 1 73 73 THR N N 67 116.161 116.161 115.348 0.813 18399 6846 1 19 . 1 1 73 73 THR HA H 67 5.060 5.060 4.414 0.646 18399 6847 1 19 . 1 1 73 73 THR CA C 67 61.493 61.493 60.112 1.381 18399 6848 1 19 . 1 1 73 73 THR CB C 67 71.022 71.022 70.979 0.043 18399 6849 1 19 . 1 1 73 73 THR H H 67 8.253 8.253 8.569 -0.316 18399 6850 1 19 . 1 1 74 74 PHE N N 68 124.518 124.518 126.391 -1.873 18399 6851 1 19 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.149 0.220 18399 6852 1 19 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.307 -2.294 18399 6853 1 19 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.953 -1.060 18399 6854 1 19 . 1 1 74 74 PHE H H 68 8.989 8.989 8.353 0.636 18399 6855 1 19 . 1 1 75 75 HIS N N 69 120.835 120.835 126.973 -6.138 18399 6856 1 19 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.884 0.262 18399 6857 1 19 . 1 1 75 75 HIS CA C 69 56.131 56.131 55.109 1.022 18399 6858 1 19 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.098 0.486 18399 6859 1 19 . 1 1 75 75 HIS H H 69 9.300 9.300 8.509 0.791 18399 6860 1 19 . 1 1 76 76 MET N N 70 122.731 122.731 122.602 0.129 18399 6861 1 19 . 1 1 76 76 MET HA H 70 5.199 5.199 4.657 0.542 18399 6862 1 19 . 1 1 76 76 MET CA C 70 54.683 54.683 54.818 -0.135 18399 6863 1 19 . 1 1 76 76 MET CB C 70 35.426 35.426 35.898 -0.472 18399 6864 1 19 . 1 1 76 76 MET H H 70 8.563 8.563 8.456 0.107 18399 6865 1 19 . 1 1 77 77 VAL N N 71 128.801 128.801 126.824 1.977 18399 6866 1 19 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.338 -0.061 18399 6867 1 19 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.166 1.177 18399 6868 1 19 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.009 1.647 18399 6869 1 19 . 1 1 77 77 VAL H H 71 9.118 9.118 8.424 0.694 18399 6870 1 19 . 1 1 78 78 VAL N N 72 125.528 125.528 129.006 -3.478 18399 6871 1 19 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.260 0.358 18399 6872 1 19 . 1 1 78 78 VAL CA C 72 61.485 61.485 60.364 1.121 18399 6873 1 19 . 1 1 78 78 VAL CB C 72 32.311 32.311 32.856 -0.545 18399 6874 1 19 . 1 1 78 78 VAL H H 72 8.544 8.544 8.470 0.074 18399 6875 1 19 . 1 1 79 79 ALA N N 73 131.664 131.664 131.986 -0.322 18399 6876 1 19 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.732 -0.409 18399 6877 1 19 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.446 0.300 18399 6878 1 19 . 1 1 79 79 ALA CB C 73 19.445 19.445 18.228 1.217 18399 6879 1 19 . 1 1 79 79 ALA H H 73 8.957 8.957 8.340 0.617 18399 6880 1 19 . 1 1 80 80 LEU N N 74 120.722 120.722 120.229 0.493 18399 6881 1 19 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.537 -0.258 18399 6882 1 19 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.428 -0.237 18399 6883 1 19 . 1 1 80 80 LEU CB C 74 42.356 42.356 41.103 1.253 18399 6884 1 19 . 1 1 80 80 LEU H H 74 8.193 8.193 8.276 -0.083 18399 6885 1 19 . 1 1 81 81 ARG N N 75 121.022 121.022 120.695 0.327 18399 6886 1 19 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.345 -0.051 18399 6887 1 19 . 1 1 81 81 ARG CA C 75 55.604 55.604 56.706 -1.103 18399 6888 1 19 . 1 1 81 81 ARG CB C 75 30.856 30.856 30.846 0.010 18399 6889 1 19 . 1 1 81 81 ARG H H 75 8.207 8.207 8.189 0.018 18399 6890 1 19 . 1 1 82 82 ALA N N 76 125.815 125.815 119.510 6.305 18399 6891 1 19 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.423 -0.145 18399 6892 1 19 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.817 0.661 18399 6893 1 19 . 1 1 82 82 ALA CB C 76 18.813 18.813 19.784 -0.971 18399 6894 1 19 . 1 1 82 82 ALA H H 76 8.471 8.471 7.944 0.527 18399 6895 1 19 . 1 1 83 83 GLY N N 77 109.110 109.110 107.992 1.118 18399 6896 1 19 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.089 0.247 18399 6897 1 19 . 1 1 83 83 GLY H H 77 8.506 8.506 8.290 0.216 18399 6898 1 20 . 1 1 8 8 LEU N N 2 125.142 125.142 121.639 3.503 18399 6899 1 20 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.173 -0.699 18399 6900 1 20 . 1 1 8 8 LEU CA C 2 55.275 55.275 53.905 1.370 18399 6901 1 20 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.696 -1.794 18399 6902 1 20 . 1 1 8 8 LEU H H 2 8.251 8.251 7.748 0.503 18399 6903 1 20 . 1 1 9 9 LEU N N 3 126.326 126.326 121.580 4.746 18399 6904 1 20 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.942 -0.146 18399 6905 1 20 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.248 -0.205 18399 6906 1 20 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.072 -1.564 18399 6907 1 20 . 1 1 9 9 LEU H H 3 8.307 8.307 8.282 0.025 18399 6908 1 20 . 1 1 10 10 LYS N N 4 121.349 121.349 123.644 -2.295 18399 6909 1 20 . 1 1 10 10 LYS HA H 4 5.080 5.080 4.960 0.120 18399 6910 1 20 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.802 -0.170 18399 6911 1 20 . 1 1 10 10 LYS CB C 4 34.425 34.425 33.997 0.428 18399 6912 1 20 . 1 1 10 10 LYS H H 4 8.428 8.428 8.466 -0.038 18399 6913 1 20 . 1 1 11 11 VAL N N 5 122.408 122.408 123.114 -0.706 18399 6914 1 20 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.894 -0.206 18399 6915 1 20 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.083 1.243 18399 6916 1 20 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.351 1.479 18399 6917 1 20 . 1 1 11 11 VAL H H 5 9.088 9.088 8.480 0.608 18399 6918 1 20 . 1 1 12 12 LYS N N 6 127.778 127.778 125.542 2.236 18399 6919 1 20 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.108 0.244 18399 6920 1 20 . 1 1 12 12 LYS CA C 6 54.675 54.675 54.214 0.461 18399 6921 1 20 . 1 1 12 12 LYS CB C 6 34.184 34.184 34.736 -0.552 18399 6922 1 20 . 1 1 12 12 LYS H H 6 9.029 9.029 8.518 0.511 18399 6923 1 20 . 1 1 13 13 THR N N 7 116.723 116.723 118.663 -1.940 18399 6924 1 20 . 1 1 13 13 THR HA H 7 4.860 4.860 4.489 0.371 18399 6925 1 20 . 1 1 13 13 THR CA C 7 60.392 60.392 61.538 -1.146 18399 6926 1 20 . 1 1 13 13 THR CB C 7 71.189 71.189 70.234 0.956 18399 6927 1 20 . 1 1 13 13 THR H H 7 8.790 8.790 8.121 0.669 18399 6928 1 20 . 1 1 14 14 VAL N N 8 119.340 119.340 121.655 -2.315 18399 6929 1 20 . 1 1 14 14 VAL HA H 8 4.103 4.103 3.985 0.118 18399 6930 1 20 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.411 0.301 18399 6931 1 20 . 1 1 14 14 VAL CB C 8 31.160 31.160 32.180 -1.020 18399 6932 1 20 . 1 1 14 14 VAL H H 8 8.872 8.872 8.540 0.332 18399 6933 1 20 . 1 1 15 15 SER N N 9 114.630 114.630 115.893 -1.263 18399 6934 1 20 . 1 1 15 15 SER HA H 9 4.513 4.513 4.466 0.047 18399 6935 1 20 . 1 1 15 15 SER CA C 9 57.913 57.913 58.586 -0.673 18399 6936 1 20 . 1 1 15 15 SER CB C 9 63.243 63.243 62.662 0.581 18399 6937 1 20 . 1 1 15 15 SER H H 9 7.859 7.859 7.821 0.038 18399 6938 1 20 . 1 1 16 16 ASN N N 10 115.509 115.509 117.511 -2.002 18399 6939 1 20 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.326 -0.134 18399 6940 1 20 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.770 0.191 18399 6941 1 20 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.509 -1.214 18399 6942 1 20 . 1 1 16 16 ASN H H 10 8.229 8.229 7.933 0.296 18399 6943 1 20 . 1 1 17 17 LYS N N 11 120.345 120.345 119.798 0.547 18399 6944 1 20 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.444 -0.189 18399 6945 1 20 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.233 1.114 18399 6946 1 20 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.942 -0.006 18399 6947 1 20 . 1 1 17 17 LYS H H 11 7.315 7.315 7.500 -0.185 18399 6948 1 20 . 1 1 18 18 VAL N N 12 125.270 125.270 124.967 0.303 18399 6949 1 20 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.665 -0.028 18399 6950 1 20 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.264 0.485 18399 6951 1 20 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.810 -0.618 18399 6952 1 20 . 1 1 18 18 VAL H H 12 8.576 8.576 8.248 0.328 18399 6953 1 20 . 1 1 19 19 ILE N N 13 130.928 130.928 128.548 2.380 18399 6954 1 20 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.330 -0.177 18399 6955 1 20 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.614 0.831 18399 6956 1 20 . 1 1 19 19 ILE CB C 13 40.195 40.195 40.026 0.169 18399 6957 1 20 . 1 1 19 19 ILE H H 13 9.486 9.486 8.901 0.585 18399 6958 1 20 . 1 1 20 20 GLN N N 14 124.762 124.762 128.573 -3.811 18399 6959 1 20 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.750 0.312 18399 6960 1 20 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.980 -0.185 18399 6961 1 20 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.541 0.060 18399 6962 1 20 . 1 1 20 20 GLN H H 14 8.803 8.803 8.580 0.223 18399 6963 1 20 . 1 1 21 21 ILE N N 15 126.010 126.010 123.307 2.703 18399 6964 1 20 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.643 -0.130 18399 6965 1 20 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.441 0.198 18399 6966 1 20 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.243 -1.072 18399 6967 1 20 . 1 1 21 21 ILE H H 15 9.076 9.076 8.199 0.877 18399 6968 1 20 . 1 1 22 22 THR N N 16 118.074 118.074 117.245 0.829 18399 6969 1 20 . 1 1 22 22 THR HA H 16 4.904 4.904 4.609 0.295 18399 6970 1 20 . 1 1 22 22 THR CA C 16 61.462 61.462 61.654 -0.192 18399 6971 1 20 . 1 1 22 22 THR CB C 16 69.657 69.657 68.517 1.140 18399 6972 1 20 . 1 1 22 22 THR H H 16 9.047 9.047 8.484 0.563 18399 6973 1 20 . 1 1 23 23 SER N N 17 113.130 113.130 118.393 -5.263 18399 6974 1 20 . 1 1 23 23 SER HA H 17 4.440 4.440 4.637 -0.197 18399 6975 1 20 . 1 1 23 23 SER CA C 17 58.002 58.002 58.620 -0.618 18399 6976 1 20 . 1 1 23 23 SER CB C 17 64.268 64.268 63.678 0.590 18399 6977 1 20 . 1 1 23 23 SER H H 17 7.330 7.330 8.295 -0.965 18399 6978 1 20 . 1 1 24 24 LEU N N 18 123.241 123.241 124.739 -1.498 18399 6979 1 20 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.814 -0.075 18399 6980 1 20 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.559 0.299 18399 6981 1 20 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.959 -2.470 18399 6982 1 20 . 1 1 24 24 LEU H H 18 8.728 8.728 7.923 0.805 18399 6983 1 20 . 1 1 25 25 THR N N 19 111.915 111.915 115.743 -3.828 18399 6984 1 20 . 1 1 25 25 THR HA H 19 4.816 4.816 4.349 0.467 18399 6985 1 20 . 1 1 25 25 THR CA C 19 59.575 59.575 61.654 -2.079 18399 6986 1 20 . 1 1 25 25 THR CB C 19 72.043 72.043 69.839 2.204 18399 6987 1 20 . 1 1 25 25 THR H H 19 9.363 9.363 8.331 1.032 18399 6988 1 20 . 1 1 26 26 ASP N N 20 117.183 117.183 116.847 0.336 18399 6989 1 20 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.714 -0.381 18399 6990 1 20 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.353 2.376 18399 6991 1 20 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.427 -2.045 18399 6992 1 20 . 1 1 26 26 ASP H H 20 8.785 8.785 8.361 0.424 18399 6993 1 20 . 1 1 27 27 ASP N N 21 116.327 116.327 119.193 -2.866 18399 6994 1 20 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.607 0.067 18399 6995 1 20 . 1 1 27 27 ASP CA C 21 54.770 54.770 55.170 -0.400 18399 6996 1 20 . 1 1 27 27 ASP CB C 21 42.294 42.294 41.716 0.578 18399 6997 1 20 . 1 1 27 27 ASP H H 21 7.775 7.775 8.070 -0.295 18399 6998 1 20 . 1 1 28 28 ASN N N 22 117.269 117.269 114.182 3.087 18399 6999 1 20 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.782 0.110 18399 7000 1 20 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.357 1.453 18399 7001 1 20 . 1 1 28 28 ASN CB C 22 41.101 41.101 39.843 1.258 18399 7002 1 20 . 1 1 28 28 ASN H H 22 7.829 7.829 8.054 -0.225 18399 7003 1 20 . 1 1 29 29 THR N N 23 108.639 108.639 113.336 -4.697 18399 7004 1 20 . 1 1 29 29 THR HA H 23 5.206 5.206 3.876 1.330 18399 7005 1 20 . 1 1 29 29 THR CA C 23 59.830 59.830 66.365 -6.535 18399 7006 1 20 . 1 1 29 29 THR CB C 23 72.396 72.396 67.492 4.904 18399 7007 1 20 . 1 1 29 29 THR H H 23 9.145 9.145 7.884 1.261 18399 7008 1 20 . 1 1 30 30 ILE N N 24 120.336 120.336 122.550 -2.214 18399 7009 1 20 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.825 -0.139 18399 7010 1 20 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.347 -3.767 18399 7011 1 20 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.786 -4.442 18399 7012 1 20 . 1 1 30 30 ILE H H 24 8.477 8.477 8.104 0.373 18399 7013 1 20 . 1 1 31 31 ALA N N 25 123.489 123.489 122.292 1.197 18399 7014 1 20 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.073 -0.202 18399 7015 1 20 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.316 0.640 18399 7016 1 20 . 1 1 31 31 ALA CB C 25 18.160 18.160 17.819 0.341 18399 7017 1 20 . 1 1 31 31 ALA H H 25 8.951 8.951 7.736 1.215 18399 7018 1 20 . 1 1 32 32 GLU N N 26 120.101 120.101 119.143 0.958 18399 7019 1 20 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.175 -0.160 18399 7020 1 20 . 1 1 32 32 GLU CA C 26 59.351 59.351 58.807 0.544 18399 7021 1 20 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.087 -0.365 18399 7022 1 20 . 1 1 32 32 GLU H H 26 7.988 7.988 8.539 -0.551 18399 7023 1 20 . 1 1 33 33 LEU N N 27 124.025 124.025 120.229 3.796 18399 7024 1 20 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.032 0.001 18399 7025 1 20 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.823 0.839 18399 7026 1 20 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.135 -1.978 18399 7027 1 20 . 1 1 33 33 LEU H H 27 8.083 8.083 7.895 0.188 18399 7028 1 20 . 1 1 34 34 LYS N N 28 119.471 119.471 118.641 0.830 18399 7029 1 20 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.150 -0.351 18399 7030 1 20 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.626 1.884 18399 7031 1 20 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.659 0.189 18399 7032 1 20 . 1 1 34 34 LYS H H 28 8.746 8.746 8.679 0.067 18399 7033 1 20 . 1 1 35 35 GLY N N 29 106.034 106.034 107.863 -1.829 18399 7034 1 20 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.908 0.134 18399 7035 1 20 . 1 1 35 35 GLY H H 29 8.096 8.096 8.427 -0.331 18399 7036 1 20 . 1 1 36 36 LYS N N 30 121.196 121.196 122.173 -0.977 18399 7037 1 20 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.184 0.053 18399 7038 1 20 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.221 -0.879 18399 7039 1 20 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.301 -1.768 18399 7040 1 20 . 1 1 36 36 LYS H H 30 7.704 7.704 7.833 -0.129 18399 7041 1 20 . 1 1 37 37 LEU N N 31 121.657 121.657 121.235 0.422 18399 7042 1 20 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.080 0.215 18399 7043 1 20 . 1 1 37 37 LEU CA C 31 57.282 57.282 58.157 -0.875 18399 7044 1 20 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.247 -0.055 18399 7045 1 20 . 1 1 37 37 LEU H H 31 7.948 7.948 8.260 -0.312 18399 7046 1 20 . 1 1 38 38 GLU N N 32 123.295 123.295 118.635 4.660 18399 7047 1 20 . 1 1 38 38 GLU HA H 32 4.354 4.354 4.008 0.345 18399 7048 1 20 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.843 0.461 18399 7049 1 20 . 1 1 38 38 GLU CB C 32 29.339 29.339 28.707 0.632 18399 7050 1 20 . 1 1 38 38 GLU H H 32 8.714 8.714 8.262 0.452 18399 7051 1 20 . 1 1 39 39 GLU N N 33 118.296 118.296 119.886 -1.590 18399 7052 1 20 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.084 -0.098 18399 7053 1 20 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.827 0.315 18399 7054 1 20 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.587 0.015 18399 7055 1 20 . 1 1 39 39 GLU H H 33 7.470 7.470 7.871 -0.401 18399 7056 1 20 . 1 1 40 40 SER N N 34 112.266 112.266 114.382 -2.116 18399 7057 1 20 . 1 1 40 40 SER CA C 34 61.150 61.150 60.940 0.210 18399 7058 1 20 . 1 1 40 40 SER CB C 34 63.578 63.578 63.194 0.384 18399 7059 1 20 . 1 1 40 40 SER H H 34 8.054 8.054 7.987 0.067 18399 7060 1 20 . 1 1 41 41 GLU N N 35 116.449 116.449 120.193 -3.744 18399 7061 1 20 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.363 0.004 18399 7062 1 20 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.550 -1.494 18399 7063 1 20 . 1 1 41 41 GLU CB C 35 30.544 30.544 29.908 0.636 18399 7064 1 20 . 1 1 41 41 GLU H H 35 8.908 8.908 7.822 1.086 18399 7065 1 20 . 1 1 42 42 GLY N N 36 108.168 108.168 108.576 -0.408 18399 7066 1 20 . 1 1 42 42 GLY CA C 36 46.424 46.424 45.909 0.515 18399 7067 1 20 . 1 1 42 42 GLY H H 36 7.930 7.930 7.602 0.328 18399 7068 1 20 . 1 1 43 43 ILE N N 37 120.326 120.326 121.524 -1.198 18399 7069 1 20 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.874 -1.144 18399 7070 1 20 . 1 1 43 43 ILE CB C 37 41.219 41.219 41.346 -0.127 18399 7071 1 20 . 1 1 43 43 ILE H H 37 6.446 6.446 7.227 -0.781 18399 7072 1 20 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.628 -0.452 18399 7073 1 20 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.385 0.633 18399 7074 1 20 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.757 -0.598 18399 7075 1 20 . 1 1 45 45 GLY N N 39 111.710 111.710 110.401 1.309 18399 7076 1 20 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.814 0.792 18399 7077 1 20 . 1 1 45 45 GLY H H 39 9.228 9.228 8.692 0.536 18399 7078 1 20 . 1 1 46 46 ASN N N 40 114.967 114.967 115.014 -0.047 18399 7079 1 20 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.669 -0.157 18399 7080 1 20 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.891 0.582 18399 7081 1 20 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.679 -2.170 18399 7082 1 20 . 1 1 46 46 ASN H H 40 8.325 8.325 7.937 0.388 18399 7083 1 20 . 1 1 47 47 MET N N 41 118.446 118.446 118.622 -0.176 18399 7084 1 20 . 1 1 47 47 MET HA H 41 4.557 4.557 4.521 0.036 18399 7085 1 20 . 1 1 47 47 MET CA C 41 54.886 54.886 56.277 -1.391 18399 7086 1 20 . 1 1 47 47 MET CB C 41 32.632 32.632 33.983 -1.351 18399 7087 1 20 . 1 1 47 47 MET H H 41 8.247 8.247 7.920 0.327 18399 7088 1 20 . 1 1 48 48 ILE N N 42 119.569 119.569 115.853 3.716 18399 7089 1 20 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.730 0.366 18399 7090 1 20 . 1 1 48 48 ILE CA C 42 62.749 62.749 62.006 0.743 18399 7091 1 20 . 1 1 48 48 ILE CB C 42 39.436 39.436 35.539 3.897 18399 7092 1 20 . 1 1 48 48 ILE H H 42 7.422 7.422 7.866 -0.444 18399 7093 1 20 . 1 1 49 49 ARG N N 43 127.179 127.179 121.399 5.780 18399 7094 1 20 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.610 -0.030 18399 7095 1 20 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.738 -0.776 18399 7096 1 20 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.607 -1.578 18399 7097 1 20 . 1 1 49 49 ARG H H 43 8.967 8.967 7.921 1.046 18399 7098 1 20 . 1 1 50 50 LEU N N 44 122.639 122.639 123.228 -0.589 18399 7099 1 20 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.268 0.139 18399 7100 1 20 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.295 -0.600 18399 7101 1 20 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.800 2.855 18399 7102 1 20 . 1 1 50 50 LEU H H 44 8.603 8.603 8.499 0.104 18399 7103 1 20 . 1 1 51 51 VAL N N 45 121.931 121.931 119.352 2.579 18399 7104 1 20 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.831 -0.123 18399 7105 1 20 . 1 1 51 51 VAL CA C 45 60.583 60.583 59.815 0.768 18399 7106 1 20 . 1 1 51 51 VAL CB C 45 34.601 34.601 34.768 -0.167 18399 7107 1 20 . 1 1 51 51 VAL H H 45 8.960 8.960 8.410 0.550 18399 7108 1 20 . 1 1 52 52 TYR N N 46 126.384 126.384 129.462 -3.078 18399 7109 1 20 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.866 0.223 18399 7110 1 20 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.211 -0.136 18399 7111 1 20 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.763 1.906 18399 7112 1 20 . 1 1 52 52 TYR H H 46 8.879 8.879 9.061 -0.182 18399 7113 1 20 . 1 1 53 53 GLN N N 47 127.041 127.041 128.309 -1.268 18399 7114 1 20 . 1 1 53 53 GLN HA H 47 3.656 3.656 4.027 -0.371 18399 7115 1 20 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.584 -0.310 18399 7116 1 20 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.578 -2.137 18399 7117 1 20 . 1 1 53 53 GLN H H 47 9.323 9.323 9.501 -0.178 18399 7118 1 20 . 1 1 54 54 GLY N N 48 102.991 102.991 102.675 0.316 18399 7119 1 20 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.002 0.371 18399 7120 1 20 . 1 1 54 54 GLY H H 48 8.358 8.358 8.584 -0.226 18399 7121 1 20 . 1 1 55 55 LYS N N 49 121.595 121.595 121.060 0.535 18399 7122 1 20 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.650 -0.033 18399 7123 1 20 . 1 1 55 55 LYS CA C 49 54.340 54.340 55.259 -0.919 18399 7124 1 20 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.623 -0.422 18399 7125 1 20 . 1 1 55 55 LYS H H 49 7.819 7.819 7.978 -0.159 18399 7126 1 20 . 1 1 56 56 GLN N N 50 122.484 122.484 119.951 2.533 18399 7127 1 20 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.694 -0.109 18399 7128 1 20 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.802 0.976 18399 7129 1 20 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.780 -2.079 18399 7130 1 20 . 1 1 56 56 GLN H H 50 8.757 8.757 8.467 0.290 18399 7131 1 20 . 1 1 57 57 LEU N N 51 125.130 125.130 119.833 5.297 18399 7132 1 20 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.020 0.280 18399 7133 1 20 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.199 -1.060 18399 7134 1 20 . 1 1 57 57 LEU CB C 51 42.225 42.225 40.652 1.573 18399 7135 1 20 . 1 1 57 57 LEU H H 51 8.442 8.442 8.971 -0.529 18399 7136 1 20 . 1 1 58 58 GLU N N 52 122.551 122.551 121.273 1.278 18399 7137 1 20 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.393 0.066 18399 7138 1 20 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.667 -0.557 18399 7139 1 20 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.336 0.710 18399 7140 1 20 . 1 1 58 58 GLU H H 52 8.125 8.125 8.685 -0.560 18399 7141 1 20 . 1 1 59 59 ASP N N 53 122.235 122.235 121.998 0.237 18399 7142 1 20 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.362 -0.217 18399 7143 1 20 . 1 1 59 59 ASP CA C 53 57.699 57.699 58.048 -0.349 18399 7144 1 20 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.777 0.234 18399 7145 1 20 . 1 1 59 59 ASP H H 53 8.346 8.346 8.750 -0.404 18399 7146 1 20 . 1 1 60 60 GLU N N 54 113.128 113.128 117.345 -4.217 18399 7147 1 20 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.116 0.199 18399 7148 1 20 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.189 -0.853 18399 7149 1 20 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.625 -0.583 18399 7150 1 20 . 1 1 60 60 GLU H H 54 8.756 8.756 8.490 0.266 18399 7151 1 20 . 1 1 61 61 LYS N N 55 119.869 119.869 119.201 0.668 18399 7152 1 20 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.383 -0.132 18399 7153 1 20 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.640 1.317 18399 7154 1 20 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.325 1.619 18399 7155 1 20 . 1 1 61 61 LYS H H 55 7.677 7.677 7.714 -0.037 18399 7156 1 20 . 1 1 62 62 ARG N N 56 117.724 117.724 120.235 -2.511 18399 7157 1 20 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.177 0.547 18399 7158 1 20 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.728 2.392 18399 7159 1 20 . 1 1 62 62 ARG H H 56 8.797 8.797 7.676 1.121 18399 7160 1 20 . 1 1 63 63 LEU N N 57 123.223 123.223 121.729 1.494 18399 7161 1 20 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.230 -0.192 18399 7162 1 20 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.357 2.067 18399 7163 1 20 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.720 -1.322 18399 7164 1 20 . 1 1 63 63 LEU H H 57 8.728 8.728 8.422 0.306 18399 7165 1 20 . 1 1 64 64 LYS N N 58 114.073 114.073 117.898 -3.825 18399 7166 1 20 . 1 1 64 64 LYS HA H 58 4.409 4.409 4.058 0.351 18399 7167 1 20 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.114 -1.280 18399 7168 1 20 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.651 -0.527 18399 7169 1 20 . 1 1 64 64 LYS H H 58 8.681 8.681 8.386 0.295 18399 7170 1 20 . 1 1 65 65 ASP N N 59 120.640 120.640 118.622 2.018 18399 7171 1 20 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.510 -0.091 18399 7172 1 20 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.757 0.749 18399 7173 1 20 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.954 -0.906 18399 7174 1 20 . 1 1 65 65 ASP H H 59 7.862 7.862 8.088 -0.226 18399 7175 1 20 . 1 1 66 66 TYR N N 60 117.775 117.775 119.912 -2.137 18399 7176 1 20 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.243 0.373 18399 7177 1 20 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.662 -2.512 18399 7178 1 20 . 1 1 66 66 TYR CB C 60 39.329 39.329 39.043 0.286 18399 7179 1 20 . 1 1 66 66 TYR H H 60 7.545 7.545 7.966 -0.421 18399 7180 1 20 . 1 1 67 67 GLN N N 61 117.450 117.450 117.621 -0.171 18399 7181 1 20 . 1 1 67 67 GLN HA H 61 4.183 4.183 3.970 0.212 18399 7182 1 20 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.411 -0.794 18399 7183 1 20 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.395 -1.817 18399 7184 1 20 . 1 1 67 67 GLN H H 61 8.155 8.155 7.951 0.204 18399 7185 1 20 . 1 1 68 68 MET N N 62 120.193 120.193 118.276 1.917 18399 7186 1 20 . 1 1 68 68 MET HA H 62 4.470 4.470 4.339 0.131 18399 7187 1 20 . 1 1 68 68 MET CA C 62 55.767 55.767 55.771 -0.004 18399 7188 1 20 . 1 1 68 68 MET CB C 62 33.105 33.105 32.733 0.372 18399 7189 1 20 . 1 1 68 68 MET H H 62 7.997 7.997 7.380 0.617 18399 7190 1 20 . 1 1 69 69 SER N N 63 116.722 116.722 112.032 4.690 18399 7191 1 20 . 1 1 69 69 SER HA H 63 4.530 4.530 4.268 0.262 18399 7192 1 20 . 1 1 69 69 SER CA C 63 57.654 57.654 58.892 -1.238 18399 7193 1 20 . 1 1 69 69 SER CB C 63 64.803 64.803 62.124 2.679 18399 7194 1 20 . 1 1 69 69 SER H H 63 8.073 8.073 8.621 -0.548 18399 7195 1 20 . 1 1 70 70 ALA N N 64 123.286 123.286 120.963 2.323 18399 7196 1 20 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.472 -0.216 18399 7197 1 20 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.017 1.549 18399 7198 1 20 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.588 -1.346 18399 7199 1 20 . 1 1 70 70 ALA H H 64 8.492 8.492 8.035 0.457 18399 7200 1 20 . 1 1 71 71 GLY N N 65 110.294 110.294 108.108 2.186 18399 7201 1 20 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.601 0.526 18399 7202 1 20 . 1 1 71 71 GLY H H 65 8.907 8.907 8.030 0.877 18399 7203 1 20 . 1 1 72 72 ALA N N 66 123.229 123.229 128.482 -5.253 18399 7204 1 20 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.153 0.135 18399 7205 1 20 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.293 0.583 18399 7206 1 20 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.457 0.369 18399 7207 1 20 . 1 1 72 72 ALA H H 66 7.572 7.572 8.538 -0.966 18399 7208 1 20 . 1 1 73 73 THR N N 67 116.161 116.161 114.894 1.267 18399 7209 1 20 . 1 1 73 73 THR HA H 67 5.060 5.060 4.505 0.555 18399 7210 1 20 . 1 1 73 73 THR CA C 67 61.493 61.493 60.662 0.831 18399 7211 1 20 . 1 1 73 73 THR CB C 67 71.022 71.022 71.252 -0.230 18399 7212 1 20 . 1 1 73 73 THR H H 67 8.253 8.253 8.640 -0.387 18399 7213 1 20 . 1 1 74 74 PHE N N 68 124.518 124.518 126.033 -1.515 18399 7214 1 20 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.271 0.098 18399 7215 1 20 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.324 -2.311 18399 7216 1 20 . 1 1 74 74 PHE CB C 68 40.893 40.893 42.241 -1.348 18399 7217 1 20 . 1 1 74 74 PHE H H 68 8.989 8.989 8.313 0.676 18399 7218 1 20 . 1 1 75 75 HIS N N 69 120.835 120.835 127.029 -6.194 18399 7219 1 20 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.885 0.261 18399 7220 1 20 . 1 1 75 75 HIS CA C 69 56.131 56.131 55.107 1.024 18399 7221 1 20 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.120 0.464 18399 7222 1 20 . 1 1 75 75 HIS H H 69 9.300 9.300 8.508 0.792 18399 7223 1 20 . 1 1 76 76 MET N N 70 122.731 122.731 122.791 -0.060 18399 7224 1 20 . 1 1 76 76 MET HA H 70 5.199 5.199 4.736 0.463 18399 7225 1 20 . 1 1 76 76 MET CA C 70 54.683 54.683 54.645 0.037 18399 7226 1 20 . 1 1 76 76 MET CB C 70 35.426 35.426 35.845 -0.419 18399 7227 1 20 . 1 1 76 76 MET H H 70 8.563 8.563 8.452 0.111 18399 7228 1 20 . 1 1 77 77 VAL N N 71 128.801 128.801 122.179 6.622 18399 7229 1 20 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.423 -0.146 18399 7230 1 20 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.877 0.466 18399 7231 1 20 . 1 1 77 77 VAL CB C 71 34.656 34.656 32.736 1.921 18399 7232 1 20 . 1 1 77 77 VAL H H 71 9.118 9.118 8.402 0.716 18399 7233 1 20 . 1 1 78 78 VAL N N 72 125.528 125.528 126.959 -1.431 18399 7234 1 20 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.280 0.338 18399 7235 1 20 . 1 1 78 78 VAL CA C 72 61.485 61.485 61.142 0.342 18399 7236 1 20 . 1 1 78 78 VAL CB C 72 32.311 32.311 32.272 0.039 18399 7237 1 20 . 1 1 78 78 VAL H H 72 8.544 8.544 8.346 0.198 18399 7238 1 20 . 1 1 79 79 ALA N N 73 131.664 131.664 132.281 -0.617 18399 7239 1 20 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.817 -0.494 18399 7240 1 20 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.624 0.122 18399 7241 1 20 . 1 1 79 79 ALA CB C 73 19.445 19.445 18.859 0.586 18399 7242 1 20 . 1 1 79 79 ALA H H 73 8.957 8.957 8.610 0.347 18399 7243 1 20 . 1 1 80 80 LEU N N 74 120.722 120.722 118.673 2.049 18399 7244 1 20 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.678 -0.399 18399 7245 1 20 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.101 0.090 18399 7246 1 20 . 1 1 80 80 LEU CB C 74 42.356 42.356 42.103 0.253 18399 7247 1 20 . 1 1 80 80 LEU H H 74 8.193 8.193 8.625 -0.432 18399 7248 1 20 . 1 1 81 81 ARG N N 75 121.022 121.022 120.611 0.411 18399 7249 1 20 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.549 -0.255 18399 7250 1 20 . 1 1 81 81 ARG CA C 75 55.604 55.604 54.927 0.677 18399 7251 1 20 . 1 1 81 81 ARG CB C 75 30.856 30.856 31.425 -0.570 18399 7252 1 20 . 1 1 81 81 ARG H H 75 8.207 8.207 7.967 0.240 18399 7253 1 20 . 1 1 82 82 ALA N N 76 125.815 125.815 122.294 3.521 18399 7254 1 20 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.397 -0.119 18399 7255 1 20 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.933 0.545 18399 7256 1 20 . 1 1 82 82 ALA CB C 76 18.813 18.813 19.275 -0.462 18399 7257 1 20 . 1 1 82 82 ALA H H 76 8.471 8.471 8.333 0.138 18399 7258 1 20 . 1 1 83 83 GLY N N 77 109.110 109.110 107.876 1.234 18399 7259 1 20 . 1 1 83 83 GLY CA C 77 45.336 45.336 44.896 0.440 18399 7260 1 20 . 1 1 83 83 GLY H H 77 8.506 8.506 8.911 -0.405 18399 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 75 2.861 -0.211 2.873 18399 2 1 1 "Average Difference" HA 79 0.327 -0.013 0.329 18399 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18399 4 1 1 "Average Difference" CA 75 1.283 0.090 1.288 18399 5 1 1 "Average Difference" CB 70 1.525 0.005 1.536 18399 6 1 1 "Average Difference" HN 75 0.554 -0.210 0.516 18399 7 1 2 "Average Difference" N 75 2.812 -0.204 2.823 18399 8 1 2 "Average Difference" HA 79 0.325 -0.044 0.324 18399 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18399 10 1 2 "Average Difference" CA 75 1.313 0.050 1.320 18399 11 1 2 "Average Difference" CB 70 1.555 -0.023 1.566 18399 12 1 2 "Average Difference" HN 75 0.562 -0.158 0.544 18399 13 1 3 "Average Difference" N 75 2.799 -0.390 2.790 18399 14 1 3 "Average Difference" HA 79 0.320 -0.037 0.320 18399 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18399 16 1 3 "Average Difference" CA 75 1.273 0.007 1.281 18399 17 1 3 "Average Difference" CB 70 1.531 -0.041 1.541 18399 18 1 3 "Average Difference" HN 75 0.537 -0.185 0.508 18399 19 1 4 "Average Difference" N 75 2.853 -0.167 2.867 18399 20 1 4 "Average Difference" HA 79 0.328 -0.043 0.327 18399 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18399 22 1 4 "Average Difference" CA 75 1.304 0.054 1.312 18399 23 1 4 "Average Difference" CB 70 1.523 -0.005 1.534 18399 24 1 4 "Average Difference" HN 75 0.541 -0.177 0.514 18399 25 1 5 "Average Difference" N 75 2.888 -0.388 2.881 18399 26 1 5 "Average Difference" HA 79 0.326 -0.036 0.326 18399 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18399 28 1 5 "Average Difference" CA 75 1.321 0.089 1.327 18399 29 1 5 "Average Difference" CB 70 1.526 0.016 1.537 18399 30 1 5 "Average Difference" HN 75 0.542 -0.180 0.515 18399 31 1 6 "Average Difference" N 75 2.710 -0.306 2.711 18399 32 1 6 "Average Difference" HA 79 0.337 -0.036 0.338 18399 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18399 34 1 6 "Average Difference" CA 75 1.295 0.035 1.303 18399 35 1 6 "Average Difference" CB 70 1.510 0.011 1.521 18399 36 1 6 "Average Difference" HN 75 0.548 -0.160 0.527 18399 37 1 7 "Average Difference" N 75 2.882 -0.150 2.898 18399 38 1 7 "Average Difference" HA 79 0.297 -0.047 0.295 18399 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18399 40 1 7 "Average Difference" CA 75 1.294 0.110 1.298 18399 41 1 7 "Average Difference" CB 70 1.481 -0.005 1.491 18399 42 1 7 "Average Difference" HN 75 0.539 -0.160 0.518 18399 43 1 8 "Average Difference" N 75 2.726 -0.211 2.737 18399 44 1 8 "Average Difference" HA 79 0.331 -0.034 0.331 18399 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18399 46 1 8 "Average Difference" CA 75 1.295 0.089 1.300 18399 47 1 8 "Average Difference" CB 70 1.538 0.028 1.549 18399 48 1 8 "Average Difference" HN 75 0.553 -0.161 0.532 18399 49 1 9 "Average Difference" N 75 2.755 -0.156 2.769 18399 50 1 9 "Average Difference" HA 79 0.327 -0.045 0.326 18399 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18399 52 1 9 "Average Difference" CA 75 1.348 0.122 1.352 18399 53 1 9 "Average Difference" CB 70 1.478 -0.059 1.487 18399 54 1 9 "Average Difference" HN 75 0.551 -0.180 0.524 18399 55 1 10 "Average Difference" N 75 2.745 -0.176 2.758 18399 56 1 10 "Average Difference" HA 79 0.329 -0.046 0.328 18399 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18399 58 1 10 "Average Difference" CA 75 1.296 0.038 1.304 18399 59 1 10 "Average Difference" CB 70 1.512 0.050 1.522 18399 60 1 10 "Average Difference" HN 75 0.541 -0.166 0.518 18399 61 1 11 "Average Difference" N 75 2.761 -0.218 2.771 18399 62 1 11 "Average Difference" HA 79 0.334 -0.027 0.335 18399 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18399 64 1 11 "Average Difference" CA 75 1.272 0.090 1.277 18399 65 1 11 "Average Difference" CB 70 1.521 -0.015 1.532 18399 66 1 11 "Average Difference" HN 75 0.536 -0.162 0.515 18399 67 1 12 "Average Difference" N 75 2.700 -0.235 2.708 18399 68 1 12 "Average Difference" HA 79 0.346 -0.010 0.348 18399 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18399 70 1 12 "Average Difference" CA 75 1.297 0.035 1.305 18399 71 1 12 "Average Difference" CB 70 1.508 -0.013 1.519 18399 72 1 12 "Average Difference" HN 75 0.540 -0.177 0.513 18399 73 1 13 "Average Difference" N 75 2.793 -0.165 2.807 18399 74 1 13 "Average Difference" HA 79 0.321 -0.031 0.321 18399 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18399 76 1 13 "Average Difference" CA 75 1.262 0.070 1.268 18399 77 1 13 "Average Difference" CB 70 1.506 0.007 1.516 18399 78 1 13 "Average Difference" HN 75 0.543 -0.193 0.512 18399 79 1 14 "Average Difference" N 75 2.789 -0.256 2.796 18399 80 1 14 "Average Difference" HA 79 0.324 -0.037 0.324 18399 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18399 82 1 14 "Average Difference" CA 75 1.287 0.069 1.294 18399 83 1 14 "Average Difference" CB 70 1.477 0.016 1.488 18399 84 1 14 "Average Difference" HN 75 0.567 -0.180 0.541 18399 85 1 15 "Average Difference" N 75 2.867 -0.266 2.874 18399 86 1 15 "Average Difference" HA 79 0.325 -0.040 0.325 18399 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18399 88 1 15 "Average Difference" CA 75 1.289 0.063 1.296 18399 89 1 15 "Average Difference" CB 70 1.494 0.028 1.504 18399 90 1 15 "Average Difference" HN 75 0.576 -0.165 0.556 18399 91 1 16 "Average Difference" N 75 2.860 -0.259 2.867 18399 92 1 16 "Average Difference" HA 79 0.307 -0.016 0.308 18399 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18399 94 1 16 "Average Difference" CA 75 1.309 0.039 1.317 18399 95 1 16 "Average Difference" CB 70 1.478 0.041 1.489 18399 96 1 16 "Average Difference" HN 75 0.561 -0.193 0.530 18399 97 1 17 "Average Difference" N 75 2.768 -0.206 2.779 18399 98 1 17 "Average Difference" HA 79 0.319 -0.053 0.316 18399 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18399 100 1 17 "Average Difference" CA 75 1.325 0.080 1.332 18399 101 1 17 "Average Difference" CB 70 1.544 -0.012 1.555 18399 102 1 17 "Average Difference" HN 75 0.547 -0.189 0.517 18399 103 1 18 "Average Difference" N 75 2.806 -0.167 2.820 18399 104 1 18 "Average Difference" HA 79 0.305 -0.045 0.303 18399 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18399 106 1 18 "Average Difference" CA 75 1.294 0.079 1.301 18399 107 1 18 "Average Difference" CB 70 1.522 -0.005 1.533 18399 108 1 18 "Average Difference" HN 75 0.558 -0.162 0.538 18399 109 1 19 "Average Difference" N 75 2.816 -0.238 2.825 18399 110 1 19 "Average Difference" HA 79 0.324 -0.028 0.325 18399 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18399 112 1 19 "Average Difference" CA 75 1.320 0.070 1.327 18399 113 1 19 "Average Difference" CB 70 1.516 -0.032 1.527 18399 114 1 19 "Average Difference" HN 75 0.542 -0.184 0.514 18399 115 1 20 "Average Difference" N 75 2.753 -0.092 2.770 18399 116 1 20 "Average Difference" HA 79 0.320 -0.026 0.321 18399 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18399 118 1 20 "Average Difference" CA 75 1.296 0.045 1.304 18399 119 1 20 "Average Difference" CB 70 1.531 0.035 1.541 18399 120 1 20 "Average Difference" HN 75 0.542 -0.175 0.516 18399 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 18399 _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 8 8 LEU N N 2 125.142 125.142 121.980 3.162 18399 2 1 . 1 1 8 8 LEU HA H 2 4.474 4.474 5.064 -0.590 18399 3 1 . 1 1 8 8 LEU CA C 2 55.275 55.275 54.003 1.273 18399 4 1 . 1 1 8 8 LEU CB C 2 41.902 41.902 43.558 -1.656 18399 5 1 . 1 1 8 8 LEU H H 2 8.251 8.251 7.725 0.526 18399 6 1 . 1 1 9 9 LEU N N 3 126.326 126.326 121.513 4.813 18399 7 1 . 1 1 9 9 LEU HA H 3 4.796 4.796 4.942 -0.146 18399 8 1 . 1 1 9 9 LEU CA C 3 53.043 53.043 53.291 -0.248 18399 9 1 . 1 1 9 9 LEU CB C 3 44.508 44.508 46.057 -1.549 18399 10 1 . 1 1 9 9 LEU H H 3 8.307 8.307 8.135 0.172 18399 11 1 . 1 1 10 10 LYS N N 4 121.349 121.349 123.644 -2.295 18399 12 1 . 1 1 10 10 LYS HA H 4 5.080 5.080 5.031 0.049 18399 13 1 . 1 1 10 10 LYS CA C 4 54.632 54.632 54.692 -0.060 18399 14 1 . 1 1 10 10 LYS CB C 4 34.425 34.425 34.033 0.392 18399 15 1 . 1 1 10 10 LYS H H 4 8.428 8.428 8.506 -0.078 18399 16 1 . 1 1 11 11 VAL N N 5 122.408 122.408 122.764 -0.356 18399 17 1 . 1 1 11 11 VAL HA H 5 4.688 4.688 4.882 -0.194 18399 18 1 . 1 1 11 11 VAL CA C 5 60.326 60.326 59.607 0.719 18399 19 1 . 1 1 11 11 VAL CB C 5 33.830 33.830 32.650 1.180 18399 20 1 . 1 1 11 11 VAL H H 5 9.088 9.088 8.484 0.604 18399 21 1 . 1 1 12 12 LYS N N 6 127.778 127.778 125.489 2.289 18399 22 1 . 1 1 12 12 LYS HA H 6 5.352 5.352 5.215 0.137 18399 23 1 . 1 1 12 12 LYS CA C 6 54.675 54.675 53.978 0.697 18399 24 1 . 1 1 12 12 LYS CB C 6 34.184 34.184 35.093 -0.909 18399 25 1 . 1 1 12 12 LYS H H 6 9.029 9.029 8.576 0.453 18399 26 1 . 1 1 13 13 THR N N 7 116.723 116.723 117.597 -0.874 18399 27 1 . 1 1 13 13 THR HA H 7 4.860 4.860 4.637 0.223 18399 28 1 . 1 1 13 13 THR CA C 7 60.392 60.392 60.494 -0.102 18399 29 1 . 1 1 13 13 THR CB C 7 71.189 71.189 70.403 0.786 18399 30 1 . 1 1 13 13 THR H H 7 8.790 8.790 8.267 0.523 18399 31 1 . 1 1 14 14 VAL N N 8 119.340 119.340 121.626 -2.286 18399 32 1 . 1 1 14 14 VAL HA H 8 4.103 4.103 4.077 0.026 18399 33 1 . 1 1 14 14 VAL CA C 8 64.712 64.712 64.313 0.399 18399 34 1 . 1 1 14 14 VAL CB C 8 31.160 31.160 31.741 -0.581 18399 35 1 . 1 1 14 14 VAL H H 8 8.872 8.872 8.615 0.257 18399 36 1 . 1 1 15 15 SER N N 9 114.630 114.630 114.822 -0.192 18399 37 1 . 1 1 15 15 SER HA H 9 4.513 4.513 4.474 0.039 18399 38 1 . 1 1 15 15 SER CA C 9 57.913 57.913 58.467 -0.554 18399 39 1 . 1 1 15 15 SER CB C 9 63.243 63.243 62.971 0.272 18399 40 1 . 1 1 15 15 SER H H 9 7.859 7.859 7.892 -0.033 18399 41 1 . 1 1 16 16 ASN N N 10 115.509 115.509 117.637 -2.128 18399 42 1 . 1 1 16 16 ASN HA H 10 4.192 4.192 4.415 -0.223 18399 43 1 . 1 1 16 16 ASN CA C 10 54.961 54.961 54.662 0.299 18399 44 1 . 1 1 16 16 ASN CB C 10 36.295 36.295 37.452 -1.157 18399 45 1 . 1 1 16 16 ASN H H 10 8.229 8.229 7.948 0.281 18399 46 1 . 1 1 17 17 LYS N N 11 120.345 120.345 119.817 0.528 18399 47 1 . 1 1 17 17 LYS HA H 11 4.255 4.255 4.456 -0.201 18399 48 1 . 1 1 17 17 LYS CA C 11 56.347 56.347 55.141 1.206 18399 49 1 . 1 1 17 17 LYS CB C 11 32.936 32.936 32.902 0.034 18399 50 1 . 1 1 17 17 LYS H H 11 7.315 7.315 7.580 -0.265 18399 51 1 . 1 1 18 18 VAL N N 12 125.270 125.270 125.006 0.265 18399 52 1 . 1 1 18 18 VAL HA H 12 4.637 4.637 4.584 0.053 18399 53 1 . 1 1 18 18 VAL CA C 12 61.749 61.749 61.432 0.317 18399 54 1 . 1 1 18 18 VAL CB C 12 32.192 32.192 32.717 -0.525 18399 55 1 . 1 1 18 18 VAL H H 12 8.576 8.576 8.221 0.355 18399 56 1 . 1 1 19 19 ILE N N 13 130.928 130.928 128.053 2.875 18399 57 1 . 1 1 19 19 ILE HA H 13 4.153 4.153 4.397 -0.244 18399 58 1 . 1 1 19 19 ILE CA C 13 60.445 60.445 59.515 0.930 18399 59 1 . 1 1 19 19 ILE CB C 13 40.195 40.195 39.748 0.447 18399 60 1 . 1 1 19 19 ILE H H 13 9.486 9.486 8.876 0.610 18399 61 1 . 1 1 20 20 GLN N N 14 124.762 124.762 127.194 -2.432 18399 62 1 . 1 1 20 20 GLN HA H 14 5.062 5.062 4.811 0.251 18399 63 1 . 1 1 20 20 GLN CA C 14 54.795 54.795 54.770 0.025 18399 64 1 . 1 1 20 20 GLN CB C 14 29.601 29.601 29.414 0.187 18399 65 1 . 1 1 20 20 GLN H H 14 8.803 8.803 8.508 0.294 18399 66 1 . 1 1 21 21 ILE N N 15 126.010 126.010 121.363 4.647 18399 67 1 . 1 1 21 21 ILE HA H 15 4.513 4.513 4.641 -0.128 18399 68 1 . 1 1 21 21 ILE CA C 15 59.639 59.639 59.584 0.055 18399 69 1 . 1 1 21 21 ILE CB C 15 39.171 39.171 40.565 -1.394 18399 70 1 . 1 1 21 21 ILE H H 15 9.076 9.076 8.147 0.929 18399 71 1 . 1 1 22 22 THR N N 16 118.074 118.074 117.224 0.850 18399 72 1 . 1 1 22 22 THR HA H 16 4.904 4.904 4.540 0.364 18399 73 1 . 1 1 22 22 THR CA C 16 61.462 61.462 61.502 -0.040 18399 74 1 . 1 1 22 22 THR CB C 16 69.657 69.657 68.467 1.190 18399 75 1 . 1 1 22 22 THR H H 16 9.047 9.047 8.482 0.565 18399 76 1 . 1 1 23 23 SER N N 17 113.130 113.130 118.035 -4.905 18399 77 1 . 1 1 23 23 SER HA H 17 4.440 4.440 4.614 -0.174 18399 78 1 . 1 1 23 23 SER CA C 17 58.002 58.002 58.521 -0.519 18399 79 1 . 1 1 23 23 SER CB C 17 64.268 64.268 63.622 0.646 18399 80 1 . 1 1 23 23 SER H H 17 7.330 7.330 8.161 -0.831 18399 81 1 . 1 1 24 24 LEU N N 18 123.241 123.241 125.083 -1.842 18399 82 1 . 1 1 24 24 LEU HA H 18 4.739 4.739 4.751 -0.012 18399 83 1 . 1 1 24 24 LEU CA C 18 53.858 53.858 53.870 -0.012 18399 84 1 . 1 1 24 24 LEU CB C 18 42.490 42.490 44.729 -2.239 18399 85 1 . 1 1 24 24 LEU H H 18 8.728 8.728 7.990 0.738 18399 86 1 . 1 1 25 25 THR N N 19 111.915 111.915 115.091 -3.176 18399 87 1 . 1 1 25 25 THR HA H 19 4.816 4.816 4.324 0.492 18399 88 1 . 1 1 25 25 THR CA C 19 59.575 59.575 61.471 -1.896 18399 89 1 . 1 1 25 25 THR CB C 19 72.043 72.043 70.056 1.987 18399 90 1 . 1 1 25 25 THR H H 19 9.363 9.363 8.350 1.013 18399 91 1 . 1 1 26 26 ASP N N 20 117.183 117.183 116.229 0.954 18399 92 1 . 1 1 26 26 ASP HA H 20 4.333 4.333 4.626 -0.293 18399 93 1 . 1 1 26 26 ASP CA C 20 55.729 55.729 53.609 2.120 18399 94 1 . 1 1 26 26 ASP CB C 20 39.382 39.382 41.208 -1.826 18399 95 1 . 1 1 26 26 ASP H H 20 8.785 8.785 8.351 0.434 18399 96 1 . 1 1 27 27 ASP N N 21 116.327 116.327 118.998 -2.671 18399 97 1 . 1 1 27 27 ASP HA H 21 4.674 4.674 4.588 0.086 18399 98 1 . 1 1 27 27 ASP CA C 21 54.770 54.770 56.220 -1.450 18399 99 1 . 1 1 27 27 ASP CB C 21 42.294 42.294 41.991 0.303 18399 100 1 . 1 1 27 27 ASP H H 21 7.775 7.775 8.261 -0.486 18399 101 1 . 1 1 28 28 ASN N N 22 117.269 117.269 113.794 3.475 18399 102 1 . 1 1 28 28 ASN HA H 22 4.892 4.892 4.807 0.085 18399 103 1 . 1 1 28 28 ASN CA C 22 55.810 55.810 54.352 1.458 18399 104 1 . 1 1 28 28 ASN CB C 22 41.101 41.101 40.499 0.602 18399 105 1 . 1 1 28 28 ASN H H 22 7.829 7.829 8.392 -0.563 18399 106 1 . 1 1 29 29 THR N N 23 108.639 108.639 114.440 -5.801 18399 107 1 . 1 1 29 29 THR HA H 23 5.206 5.206 3.860 1.346 18399 108 1 . 1 1 29 29 THR CA C 23 59.830 59.830 66.113 -6.283 18399 109 1 . 1 1 29 29 THR CB C 23 72.396 72.396 67.683 4.713 18399 110 1 . 1 1 29 29 THR H H 23 9.145 9.145 8.100 1.045 18399 111 1 . 1 1 30 30 ILE N N 24 120.336 120.336 122.627 -2.291 18399 112 1 . 1 1 30 30 ILE HA H 24 3.686 3.686 3.831 -0.145 18399 113 1 . 1 1 30 30 ILE CA C 24 61.580 61.580 65.117 -3.537 18399 114 1 . 1 1 30 30 ILE CB C 24 33.344 33.344 37.751 -4.407 18399 115 1 . 1 1 30 30 ILE H H 24 8.477 8.477 8.149 0.328 18399 116 1 . 1 1 31 31 ALA N N 25 123.489 123.489 122.510 0.979 18399 117 1 . 1 1 31 31 ALA HA H 25 3.871 3.871 4.120 -0.249 18399 118 1 . 1 1 31 31 ALA CA C 25 55.956 55.956 55.320 0.636 18399 119 1 . 1 1 31 31 ALA CB C 25 18.160 18.160 18.005 0.154 18399 120 1 . 1 1 31 31 ALA H H 25 8.951 8.951 7.706 1.245 18399 121 1 . 1 1 32 32 GLU N N 26 120.101 120.101 119.162 0.939 18399 122 1 . 1 1 32 32 GLU HA H 26 4.015 4.015 4.143 -0.128 18399 123 1 . 1 1 32 32 GLU CA C 26 59.351 59.351 59.159 0.192 18399 124 1 . 1 1 32 32 GLU CB C 26 28.722 28.722 29.264 -0.542 18399 125 1 . 1 1 32 32 GLU H H 26 7.988 7.988 8.538 -0.550 18399 126 1 . 1 1 33 33 LEU N N 27 124.025 124.025 120.316 3.709 18399 127 1 . 1 1 33 33 LEU HA H 27 4.033 4.033 4.046 -0.014 18399 128 1 . 1 1 33 33 LEU CA C 27 58.662 58.662 57.811 0.851 18399 129 1 . 1 1 33 33 LEU CB C 27 40.157 40.157 42.021 -1.864 18399 130 1 . 1 1 33 33 LEU H H 27 8.083 8.083 7.742 0.341 18399 131 1 . 1 1 34 34 LYS N N 28 119.471 119.471 118.591 0.880 18399 132 1 . 1 1 34 34 LYS HA H 28 3.799 3.799 4.139 -0.340 18399 133 1 . 1 1 34 34 LYS CA C 28 61.510 61.510 59.659 1.851 18399 134 1 . 1 1 34 34 LYS CB C 28 31.848 31.848 31.727 0.121 18399 135 1 . 1 1 34 34 LYS H H 28 8.746 8.746 8.672 0.074 18399 136 1 . 1 1 35 35 GLY N N 29 106.034 106.034 107.874 -1.840 18399 137 1 . 1 1 35 35 GLY CA C 29 47.042 47.042 46.877 0.165 18399 138 1 . 1 1 35 35 GLY H H 29 8.096 8.096 8.429 -0.333 18399 139 1 . 1 1 36 36 LYS N N 30 121.196 121.196 122.156 -0.960 18399 140 1 . 1 1 36 36 LYS HA H 30 4.237 4.237 4.156 0.081 18399 141 1 . 1 1 36 36 LYS CA C 30 57.342 57.342 58.687 -1.345 18399 142 1 . 1 1 36 36 LYS CB C 30 30.533 30.533 32.337 -1.804 18399 143 1 . 1 1 36 36 LYS H H 30 7.704 7.704 7.816 -0.112 18399 144 1 . 1 1 37 37 LEU N N 31 121.657 121.657 120.992 0.666 18399 145 1 . 1 1 37 37 LEU HA H 31 4.295 4.295 4.046 0.249 18399 146 1 . 1 1 37 37 LEU CA C 31 57.282 57.282 58.046 -0.764 18399 147 1 . 1 1 37 37 LEU CB C 31 42.192 42.192 42.065 0.128 18399 148 1 . 1 1 37 37 LEU H H 31 7.948 7.948 8.069 -0.121 18399 149 1 . 1 1 38 38 GLU N N 32 123.295 123.295 118.598 4.697 18399 150 1 . 1 1 38 38 GLU HA H 32 4.354 4.354 3.996 0.358 18399 151 1 . 1 1 38 38 GLU CA C 32 59.304 59.304 58.842 0.462 18399 152 1 . 1 1 38 38 GLU CB C 32 29.339 29.339 28.909 0.430 18399 153 1 . 1 1 38 38 GLU H H 32 8.714 8.714 8.144 0.570 18399 154 1 . 1 1 39 39 GLU N N 33 118.296 118.296 119.724 -1.428 18399 155 1 . 1 1 39 39 GLU HA H 33 3.986 3.986 4.086 -0.100 18399 156 1 . 1 1 39 39 GLU CA C 33 59.142 59.142 58.761 0.381 18399 157 1 . 1 1 39 39 GLU CB C 33 29.602 29.602 29.546 0.056 18399 158 1 . 1 1 39 39 GLU H H 33 7.470 7.470 7.902 -0.432 18399 159 1 . 1 1 40 40 SER N N 34 112.266 112.266 114.517 -2.251 18399 160 1 . 1 1 40 40 SER CA C 34 61.150 61.150 61.026 0.124 18399 161 1 . 1 1 40 40 SER CB C 34 63.578 63.578 63.225 0.353 18399 162 1 . 1 1 40 40 SER H H 34 8.054 8.054 7.820 0.234 18399 163 1 . 1 1 41 41 GLU N N 35 116.449 116.449 119.290 -2.841 18399 164 1 . 1 1 41 41 GLU HA H 35 4.367 4.367 4.373 -0.006 18399 165 1 . 1 1 41 41 GLU CA C 35 55.056 55.056 56.535 -1.479 18399 166 1 . 1 1 41 41 GLU CB C 35 30.544 30.544 30.214 0.330 18399 167 1 . 1 1 41 41 GLU H H 35 8.908 8.908 7.789 1.119 18399 168 1 . 1 1 42 42 GLY N N 36 108.168 108.168 108.665 -0.497 18399 169 1 . 1 1 42 42 GLY CA C 36 46.424 46.424 46.073 0.351 18399 170 1 . 1 1 42 42 GLY H H 36 7.930 7.930 7.897 0.033 18399 171 1 . 1 1 43 43 ILE N N 37 120.326 120.326 117.111 3.215 18399 172 1 . 1 1 43 43 ILE CA C 37 56.730 56.730 57.590 -0.860 18399 173 1 . 1 1 43 43 ILE CB C 37 41.219 41.219 39.628 1.591 18399 174 1 . 1 1 43 43 ILE H H 37 6.446 6.446 7.286 -0.840 18399 175 1 . 1 1 44 44 PRO HA H 38 4.176 4.176 4.616 -0.440 18399 176 1 . 1 1 44 44 PRO CA C 38 63.018 63.018 62.563 0.455 18399 177 1 . 1 1 44 44 PRO CB C 38 32.159 32.159 32.685 -0.526 18399 178 1 . 1 1 45 45 GLY N N 39 111.710 111.710 109.975 1.735 18399 179 1 . 1 1 45 45 GLY CA C 39 47.606 47.606 46.709 0.898 18399 180 1 . 1 1 45 45 GLY H H 39 9.228 9.228 8.752 0.476 18399 181 1 . 1 1 46 46 ASN N N 40 114.967 114.967 114.478 0.489 18399 182 1 . 1 1 46 46 ASN HA H 40 4.512 4.512 4.675 -0.163 18399 183 1 . 1 1 46 46 ASN CA C 40 54.473 54.473 53.474 0.999 18399 184 1 . 1 1 46 46 ASN CB C 40 36.510 36.510 38.317 -1.807 18399 185 1 . 1 1 46 46 ASN H H 40 8.325 8.325 7.998 0.327 18399 186 1 . 1 1 47 47 MET N N 41 118.446 118.446 119.229 -0.783 18399 187 1 . 1 1 47 47 MET HA H 41 4.557 4.557 4.501 0.056 18399 188 1 . 1 1 47 47 MET CA C 41 54.886 54.886 56.444 -1.558 18399 189 1 . 1 1 47 47 MET CB C 41 32.632 32.632 33.802 -1.170 18399 190 1 . 1 1 47 47 MET H H 41 8.247 8.247 7.938 0.309 18399 191 1 . 1 1 48 48 ILE N N 42 119.569 119.569 116.788 2.781 18399 192 1 . 1 1 48 48 ILE HA H 42 4.096 4.096 3.781 0.315 18399 193 1 . 1 1 48 48 ILE CA C 42 62.749 62.749 61.782 0.967 18399 194 1 . 1 1 48 48 ILE CB C 42 39.436 39.436 35.157 4.279 18399 195 1 . 1 1 48 48 ILE H H 42 7.422 7.422 7.871 -0.449 18399 196 1 . 1 1 49 49 ARG N N 43 127.179 127.179 121.578 5.601 18399 197 1 . 1 1 49 49 ARG HA H 43 4.580 4.580 4.604 -0.024 18399 198 1 . 1 1 49 49 ARG CA C 43 53.962 53.962 54.447 -0.485 18399 199 1 . 1 1 49 49 ARG CB C 43 31.029 31.029 32.078 -1.049 18399 200 1 . 1 1 49 49 ARG H H 43 8.967 8.967 7.892 1.075 18399 201 1 . 1 1 50 50 LEU N N 44 122.639 122.639 122.111 0.528 18399 202 1 . 1 1 50 50 LEU HA H 44 5.407 5.407 5.182 0.225 18399 203 1 . 1 1 50 50 LEU CA C 44 52.695 52.695 53.299 -0.604 18399 204 1 . 1 1 50 50 LEU CB C 44 46.655 46.655 43.875 2.780 18399 205 1 . 1 1 50 50 LEU H H 44 8.603 8.603 8.448 0.155 18399 206 1 . 1 1 51 51 VAL N N 45 121.931 121.931 118.775 3.156 18399 207 1 . 1 1 51 51 VAL HA H 45 4.708 4.708 4.824 -0.116 18399 208 1 . 1 1 51 51 VAL CA C 45 60.583 60.583 60.784 -0.201 18399 209 1 . 1 1 51 51 VAL CB C 45 34.601 34.601 33.364 1.237 18399 210 1 . 1 1 51 51 VAL H H 45 8.960 8.960 8.380 0.580 18399 211 1 . 1 1 52 52 TYR N N 46 126.384 126.384 128.624 -2.240 18399 212 1 . 1 1 52 52 TYR HA H 46 5.089 5.089 4.823 0.266 18399 213 1 . 1 1 52 52 TYR CA C 46 56.075 56.075 56.348 -0.273 18399 214 1 . 1 1 52 52 TYR CB C 46 41.669 41.669 39.910 1.759 18399 215 1 . 1 1 52 52 TYR H H 46 8.879 8.879 8.917 -0.038 18399 216 1 . 1 1 53 53 GLN N N 47 127.041 127.041 128.160 -1.119 18399 217 1 . 1 1 53 53 GLN HA H 47 3.656 3.656 3.977 -0.321 18399 218 1 . 1 1 53 53 GLN CA C 47 56.274 56.274 56.596 -0.322 18399 219 1 . 1 1 53 53 GLN CB C 47 25.441 25.441 27.549 -2.108 18399 220 1 . 1 1 53 53 GLN H H 47 9.323 9.323 9.460 -0.137 18399 221 1 . 1 1 54 54 GLY N N 48 102.991 102.991 102.248 0.743 18399 222 1 . 1 1 54 54 GLY CA C 48 45.373 45.373 45.202 0.171 18399 223 1 . 1 1 54 54 GLY H H 48 8.358 8.358 8.609 -0.251 18399 224 1 . 1 1 55 55 LYS N N 49 121.595 121.595 120.827 0.768 18399 225 1 . 1 1 55 55 LYS HA H 49 4.617 4.617 4.670 -0.053 18399 226 1 . 1 1 55 55 LYS CA C 49 54.340 54.340 54.920 -0.580 18399 227 1 . 1 1 55 55 LYS CB C 49 34.201 34.201 34.678 -0.477 18399 228 1 . 1 1 55 55 LYS H H 49 7.819 7.819 7.982 -0.163 18399 229 1 . 1 1 56 56 GLN N N 50 122.484 122.484 119.246 3.238 18399 230 1 . 1 1 56 56 GLN HA H 50 4.585 4.585 4.720 -0.135 18399 231 1 . 1 1 56 56 GLN CA C 50 55.778 55.778 54.609 1.169 18399 232 1 . 1 1 56 56 GLN CB C 50 28.701 28.701 30.901 -2.200 18399 233 1 . 1 1 56 56 GLN H H 50 8.757 8.757 8.372 0.385 18399 234 1 . 1 1 57 57 LEU N N 51 125.130 125.130 120.409 4.721 18399 235 1 . 1 1 57 57 LEU HA H 51 4.300 4.300 4.026 0.274 18399 236 1 . 1 1 57 57 LEU CA C 51 54.139 54.139 55.430 -1.291 18399 237 1 . 1 1 57 57 LEU CB C 51 42.225 42.225 41.283 0.942 18399 238 1 . 1 1 57 57 LEU H H 51 8.442 8.442 8.844 -0.402 18399 239 1 . 1 1 58 58 GLU N N 52 122.551 122.551 120.735 1.816 18399 240 1 . 1 1 58 58 GLU HA H 52 4.459 4.459 4.461 -0.002 18399 241 1 . 1 1 58 58 GLU CA C 52 56.110 56.110 56.491 -0.381 18399 242 1 . 1 1 58 58 GLU CB C 52 31.046 31.046 30.294 0.752 18399 243 1 . 1 1 58 58 GLU H H 52 8.125 8.125 8.666 -0.541 18399 244 1 . 1 1 59 59 ASP N N 53 122.235 122.235 121.931 0.304 18399 245 1 . 1 1 59 59 ASP HA H 53 4.145 4.145 4.349 -0.204 18399 246 1 . 1 1 59 59 ASP CA C 53 57.699 57.699 57.989 -0.290 18399 247 1 . 1 1 59 59 ASP CB C 53 41.011 41.011 40.818 0.193 18399 248 1 . 1 1 59 59 ASP H H 53 8.346 8.346 8.701 -0.355 18399 249 1 . 1 1 60 60 GLU N N 54 113.128 113.128 117.005 -3.877 18399 250 1 . 1 1 60 60 GLU HA H 54 4.315 4.315 4.133 0.182 18399 251 1 . 1 1 60 60 GLU CA C 54 57.336 57.336 58.201 -0.865 18399 252 1 . 1 1 60 60 GLU CB C 54 29.042 29.042 29.562 -0.520 18399 253 1 . 1 1 60 60 GLU H H 54 8.756 8.756 8.519 0.237 18399 254 1 . 1 1 61 61 LYS N N 55 119.869 119.869 119.225 0.644 18399 255 1 . 1 1 61 61 LYS HA H 55 4.251 4.251 4.418 -0.167 18399 256 1 . 1 1 61 61 LYS CA C 55 55.957 55.957 54.673 1.284 18399 257 1 . 1 1 61 61 LYS CB C 55 32.944 32.944 31.488 1.456 18399 258 1 . 1 1 61 61 LYS H H 55 7.677 7.677 7.703 -0.026 18399 259 1 . 1 1 62 62 ARG N N 56 117.724 117.724 120.187 -2.463 18399 260 1 . 1 1 62 62 ARG HA H 56 4.724 4.724 4.161 0.563 18399 261 1 . 1 1 62 62 ARG CB C 56 31.120 31.120 28.739 2.381 18399 262 1 . 1 1 62 62 ARG H H 56 8.797 8.797 7.666 1.131 18399 263 1 . 1 1 63 63 LEU N N 57 123.223 123.223 121.666 1.557 18399 264 1 . 1 1 63 63 LEU HA H 57 4.038 4.038 4.215 -0.177 18399 265 1 . 1 1 63 63 LEU CA C 57 59.424 59.424 57.402 2.022 18399 266 1 . 1 1 63 63 LEU CB C 57 40.398 40.398 41.691 -1.293 18399 267 1 . 1 1 63 63 LEU H H 57 8.728 8.728 8.407 0.321 18399 268 1 . 1 1 64 64 LYS N N 58 114.073 114.073 118.399 -4.326 18399 269 1 . 1 1 64 64 LYS HA H 58 4.409 4.409 4.008 0.401 18399 270 1 . 1 1 64 64 LYS CA C 58 57.834 57.834 59.135 -1.301 18399 271 1 . 1 1 64 64 LYS CB C 58 31.124 31.124 31.600 -0.476 18399 272 1 . 1 1 64 64 LYS H H 58 8.681 8.681 8.288 0.393 18399 273 1 . 1 1 65 65 ASP N N 59 120.640 120.640 118.856 1.784 18399 274 1 . 1 1 65 65 ASP HA H 59 4.419 4.419 4.551 -0.132 18399 275 1 . 1 1 65 65 ASP CA C 59 56.506 56.506 55.895 0.611 18399 276 1 . 1 1 65 65 ASP CB C 59 40.048 40.048 40.896 -0.848 18399 277 1 . 1 1 65 65 ASP H H 59 7.862 7.862 8.113 -0.251 18399 278 1 . 1 1 66 66 TYR N N 60 117.775 117.775 120.257 -2.482 18399 279 1 . 1 1 66 66 TYR HA H 60 4.616 4.616 4.271 0.345 18399 280 1 . 1 1 66 66 TYR CA C 60 58.150 58.150 60.526 -2.376 18399 281 1 . 1 1 66 66 TYR CB C 60 39.329 39.329 38.966 0.363 18399 282 1 . 1 1 66 66 TYR H H 60 7.545 7.545 8.015 -0.470 18399 283 1 . 1 1 67 67 GLN N N 61 117.450 117.450 117.374 0.076 18399 284 1 . 1 1 67 67 GLN HA H 61 4.183 4.183 4.041 0.142 18399 285 1 . 1 1 67 67 GLN CA C 61 56.617 56.617 57.177 -0.560 18399 286 1 . 1 1 67 67 GLN CB C 61 26.578 26.578 28.433 -1.855 18399 287 1 . 1 1 67 67 GLN H H 61 8.155 8.155 7.830 0.324 18399 288 1 . 1 1 68 68 MET N N 62 120.193 120.193 118.225 1.968 18399 289 1 . 1 1 68 68 MET HA H 62 4.470 4.470 4.387 0.083 18399 290 1 . 1 1 68 68 MET CA C 62 55.767 55.767 55.711 0.056 18399 291 1 . 1 1 68 68 MET CB C 62 33.105 33.105 32.733 0.372 18399 292 1 . 1 1 68 68 MET H H 62 7.997 7.997 7.414 0.583 18399 293 1 . 1 1 69 69 SER N N 63 116.722 116.722 112.112 4.610 18399 294 1 . 1 1 69 69 SER HA H 63 4.530 4.530 4.210 0.320 18399 295 1 . 1 1 69 69 SER CA C 63 57.654 57.654 59.537 -1.882 18399 296 1 . 1 1 69 69 SER CB C 63 64.803 64.803 62.214 2.589 18399 297 1 . 1 1 69 69 SER H H 63 8.073 8.073 8.648 -0.575 18399 298 1 . 1 1 70 70 ALA N N 64 123.286 123.286 120.216 3.070 18399 299 1 . 1 1 70 70 ALA HA H 64 4.256 4.256 4.470 -0.214 18399 300 1 . 1 1 70 70 ALA CA C 64 53.566 53.566 52.090 1.476 18399 301 1 . 1 1 70 70 ALA CB C 64 18.242 18.242 19.473 -1.231 18399 302 1 . 1 1 70 70 ALA H H 64 8.492 8.492 8.011 0.481 18399 303 1 . 1 1 71 71 GLY N N 65 110.294 110.294 108.029 2.265 18399 304 1 . 1 1 71 71 GLY CA C 65 45.127 45.127 44.633 0.494 18399 305 1 . 1 1 71 71 GLY H H 65 8.907 8.907 8.040 0.866 18399 306 1 . 1 1 72 72 ALA N N 66 123.229 123.229 128.783 -5.554 18399 307 1 . 1 1 72 72 ALA HA H 66 4.288 4.288 4.226 0.062 18399 308 1 . 1 1 72 72 ALA CA C 66 52.876 52.876 52.233 0.643 18399 309 1 . 1 1 72 72 ALA CB C 66 19.826 19.826 19.449 0.377 18399 310 1 . 1 1 72 72 ALA H H 66 7.572 7.572 8.629 -1.057 18399 311 1 . 1 1 73 73 THR N N 67 116.161 116.161 115.144 1.017 18399 312 1 . 1 1 73 73 THR HA H 67 5.060 5.060 4.509 0.551 18399 313 1 . 1 1 73 73 THR CA C 67 61.493 61.493 60.252 1.240 18399 314 1 . 1 1 73 73 THR CB C 67 71.022 71.022 71.138 -0.116 18399 315 1 . 1 1 73 73 THR H H 67 8.253 8.253 8.651 -0.398 18399 316 1 . 1 1 74 74 PHE N N 68 124.518 124.518 126.161 -1.643 18399 317 1 . 1 1 74 74 PHE HA H 68 5.369 5.369 5.208 0.161 18399 318 1 . 1 1 74 74 PHE CA C 68 54.013 54.013 56.180 -2.167 18399 319 1 . 1 1 74 74 PHE CB C 68 40.893 40.893 41.788 -0.895 18399 320 1 . 1 1 74 74 PHE H H 68 8.989 8.989 8.406 0.583 18399 321 1 . 1 1 75 75 HIS N N 69 120.835 120.835 126.794 -5.959 18399 322 1 . 1 1 75 75 HIS HA H 69 5.146 5.146 4.837 0.309 18399 323 1 . 1 1 75 75 HIS CA C 69 56.131 56.131 54.923 1.208 18399 324 1 . 1 1 75 75 HIS CB C 69 31.584 31.584 31.600 -0.016 18399 325 1 . 1 1 75 75 HIS H H 69 9.300 9.300 8.699 0.601 18399 326 1 . 1 1 76 76 MET N N 70 122.731 122.731 122.585 0.146 18399 327 1 . 1 1 76 76 MET HA H 70 5.199 5.199 4.654 0.545 18399 328 1 . 1 1 76 76 MET CA C 70 54.683 54.683 54.675 0.008 18399 329 1 . 1 1 76 76 MET CB C 70 35.426 35.426 35.806 -0.380 18399 330 1 . 1 1 76 76 MET H H 70 8.563 8.563 8.269 0.294 18399 331 1 . 1 1 77 77 VAL N N 71 128.801 128.801 126.035 2.766 18399 332 1 . 1 1 77 77 VAL HA H 71 4.277 4.277 4.381 -0.104 18399 333 1 . 1 1 77 77 VAL CA C 71 61.343 61.343 60.555 0.788 18399 334 1 . 1 1 77 77 VAL CB C 71 34.656 34.656 33.380 1.276 18399 335 1 . 1 1 77 77 VAL H H 71 9.118 9.118 8.497 0.621 18399 336 1 . 1 1 78 78 VAL N N 72 125.528 125.528 128.612 -3.084 18399 337 1 . 1 1 78 78 VAL HA H 72 4.618 4.618 4.245 0.373 18399 338 1 . 1 1 78 78 VAL CA C 72 61.485 61.485 61.125 0.360 18399 339 1 . 1 1 78 78 VAL CB C 72 32.311 32.311 31.803 0.508 18399 340 1 . 1 1 78 78 VAL H H 72 8.544 8.544 8.423 0.121 18399 341 1 . 1 1 79 79 ALA N N 73 131.664 131.664 131.432 0.232 18399 342 1 . 1 1 79 79 ALA HA H 73 4.323 4.323 4.687 -0.364 18399 343 1 . 1 1 79 79 ALA CA C 73 51.746 51.746 51.502 0.244 18399 344 1 . 1 1 79 79 ALA CB C 73 19.445 19.445 18.888 0.557 18399 345 1 . 1 1 79 79 ALA H H 73 8.957 8.957 8.488 0.469 18399 346 1 . 1 1 80 80 LEU N N 74 120.722 120.722 120.876 -0.154 18399 347 1 . 1 1 80 80 LEU HA H 74 4.279 4.279 4.368 -0.089 18399 348 1 . 1 1 80 80 LEU CA C 74 55.191 55.191 55.474 -0.283 18399 349 1 . 1 1 80 80 LEU CB C 74 42.356 42.356 41.768 0.588 18399 350 1 . 1 1 80 80 LEU H H 74 8.193 8.193 8.461 -0.268 18399 351 1 . 1 1 81 81 ARG N N 75 121.022 121.022 120.563 0.459 18399 352 1 . 1 1 81 81 ARG HA H 75 4.294 4.294 4.375 -0.081 18399 353 1 . 1 1 81 81 ARG CA C 75 55.604 55.604 56.343 -0.739 18399 354 1 . 1 1 81 81 ARG CB C 75 30.856 30.856 30.784 0.072 18399 355 1 . 1 1 81 81 ARG H H 75 8.207 8.207 8.132 0.075 18399 356 1 . 1 1 82 82 ALA N N 76 125.815 125.815 121.071 4.744 18399 357 1 . 1 1 82 82 ALA HA H 76 4.278 4.278 4.430 -0.152 18399 358 1 . 1 1 82 82 ALA CA C 76 52.478 52.478 51.969 0.509 18399 359 1 . 1 1 82 82 ALA CB C 76 18.813 18.813 19.862 -1.049 18399 360 1 . 1 1 82 82 ALA H H 76 8.471 8.471 8.117 0.354 18399 361 1 . 1 1 83 83 GLY N N 77 109.110 109.110 107.799 1.311 18399 362 1 . 1 1 83 83 GLY CA C 77 45.336 45.336 45.116 0.220 18399 363 1 . 1 1 83 83 GLY H H 77 8.506 8.506 8.792 -0.286 18399 stop_ save_