data_18726 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18726 _Entry.PDB_ID 2LYI 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 18726 _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 1 1 SER HA H 1 4.417 4.417 4.642 -0.225 18726 2 1 1 . 1 1 1 1 SER CA C 1 58.904 58.904 58.222 0.682 18726 3 1 1 . 1 1 1 1 SER CB C 1 64.069 64.069 64.257 -0.188 18726 4 1 1 . 1 1 2 2 GLY N N 2 110.955 110.955 110.083 0.872 18726 5 1 1 . 1 1 2 2 GLY CA C 2 45.689 45.689 45.072 0.617 18726 6 1 1 . 1 1 2 2 GLY H H 2 8.620 8.620 8.039 0.581 18726 7 1 1 . 1 1 3 3 SER N N 3 116.638 116.638 118.660 -2.022 18726 8 1 1 . 1 1 3 3 SER HA H 3 4.495 4.495 4.071 0.424 18726 9 1 1 . 1 1 3 3 SER CA C 3 58.386 58.386 57.824 0.562 18726 10 1 1 . 1 1 3 3 SER CB C 3 64.877 64.877 64.203 0.674 18726 11 1 1 . 1 1 3 3 SER H H 3 8.459 8.459 8.381 0.078 18726 12 1 1 . 1 1 4 4 LEU N N 4 123.760 123.760 126.827 -3.067 18726 13 1 1 . 1 1 4 4 LEU HA H 4 4.094 4.094 4.290 -0.196 18726 14 1 1 . 1 1 4 4 LEU CA C 4 58.973 58.973 57.227 1.746 18726 15 1 1 . 1 1 4 4 LEU CB C 4 41.594 41.594 41.985 -0.391 18726 16 1 1 . 1 1 4 4 LEU H H 4 8.700 8.700 9.062 -0.362 18726 17 1 1 . 1 1 5 5 GLY N N 5 126.963 126.963 106.210 20.753 18726 18 1 1 . 1 1 5 5 GLY CA C 5 46.887 46.887 47.150 -0.263 18726 19 1 1 . 1 1 5 5 GLY H H 5 8.814 8.814 8.190 0.624 18726 20 1 1 . 1 1 6 6 ASP N N 6 125.167 125.167 123.073 2.094 18726 21 1 1 . 1 1 6 6 ASP HA H 6 4.369 4.369 4.452 -0.083 18726 22 1 1 . 1 1 6 6 ASP CA C 6 57.972 57.972 57.553 0.419 18726 23 1 1 . 1 1 6 6 ASP CB C 6 40.957 40.957 40.654 0.303 18726 24 1 1 . 1 1 6 6 ASP H H 6 8.119 8.119 7.877 0.242 18726 25 1 1 . 1 1 7 7 GLN N N 7 119.521 119.521 119.295 0.226 18726 26 1 1 . 1 1 7 7 GLN HA H 7 4.160 4.160 4.156 0.004 18726 27 1 1 . 1 1 7 7 GLN CA C 7 59.404 59.404 58.854 0.550 18726 28 1 1 . 1 1 7 7 GLN CB C 7 29.199 29.199 29.107 0.092 18726 29 1 1 . 1 1 7 7 GLN H H 7 8.398 8.398 7.645 0.753 18726 30 1 1 . 1 1 8 8 LEU N N 8 121.234 121.234 120.707 0.527 18726 31 1 1 . 1 1 8 8 LEU HA H 8 3.801 3.801 3.816 -0.015 18726 32 1 1 . 1 1 8 8 LEU CA C 8 57.722 57.722 58.180 -0.458 18726 33 1 1 . 1 1 8 8 LEU CB C 8 42.403 42.403 41.184 1.219 18726 34 1 1 . 1 1 8 8 LEU H H 8 9.087 9.087 8.178 0.909 18726 35 1 1 . 1 1 9 9 THR N N 9 116.094 116.094 112.959 3.135 18726 36 1 1 . 1 1 9 9 THR HA H 9 3.513 3.513 4.000 -0.487 18726 37 1 1 . 1 1 9 9 THR CA C 9 68.886 68.886 66.593 2.293 18726 38 1 1 . 1 1 9 9 THR CB C 9 67.968 67.968 68.215 -0.247 18726 39 1 1 . 1 1 9 9 THR H H 9 8.188 8.188 8.621 -0.433 18726 40 1 1 . 1 1 10 10 SER N N 10 115.044 115.044 119.066 -4.022 18726 41 1 1 . 1 1 10 10 SER HA H 10 4.154 4.154 4.133 0.021 18726 42 1 1 . 1 1 10 10 SER CA C 10 61.898 61.898 62.755 -0.857 18726 43 1 1 . 1 1 10 10 SER CB C 10 62.900 62.900 63.103 -0.203 18726 44 1 1 . 1 1 10 10 SER H H 10 7.801 7.801 8.268 -0.467 18726 45 1 1 . 1 1 11 11 THR N N 11 119.022 119.022 118.854 0.168 18726 46 1 1 . 1 1 11 11 THR HA H 11 3.920 3.920 4.090 -0.170 18726 47 1 1 . 1 1 11 11 THR CA C 11 67.747 67.747 66.705 1.042 18726 48 1 1 . 1 1 11 11 THR CB C 11 68.804 68.804 68.853 -0.049 18726 49 1 1 . 1 1 11 11 THR H H 11 8.147 8.147 8.216 -0.069 18726 50 1 1 . 1 1 12 12 LEU N N 12 120.609 120.609 122.445 -1.836 18726 51 1 1 . 1 1 12 12 LEU HA H 12 3.890 3.890 3.842 0.048 18726 52 1 1 . 1 1 12 12 LEU CA C 12 58.265 58.265 58.305 -0.040 18726 53 1 1 . 1 1 12 12 LEU CB C 12 42.598 42.598 41.431 1.167 18726 54 1 1 . 1 1 12 12 LEU H H 12 8.368 8.368 8.467 -0.099 18726 55 1 1 . 1 1 13 13 ALA N N 13 119.231 119.231 120.448 -1.217 18726 56 1 1 . 1 1 13 13 ALA HA H 13 3.816 3.816 4.015 -0.199 18726 57 1 1 . 1 1 13 13 ALA CA C 13 55.729 55.729 54.988 0.741 18726 58 1 1 . 1 1 13 13 ALA CB C 13 17.422 17.422 18.117 -0.695 18726 59 1 1 . 1 1 13 13 ALA H H 13 8.755 8.755 8.649 0.106 18726 60 1 1 . 1 1 14 14 SER N N 14 116.251 116.251 115.914 0.337 18726 61 1 1 . 1 1 14 14 SER HA H 14 4.052 4.052 4.101 -0.049 18726 62 1 1 . 1 1 14 14 SER CA C 14 62.079 62.079 62.374 -0.295 18726 63 1 1 . 1 1 14 14 SER CB C 14 63.111 63.111 63.020 0.091 18726 64 1 1 . 1 1 14 14 SER H H 14 8.318 8.318 7.752 0.566 18726 65 1 1 . 1 1 15 15 ALA N N 15 121.629 121.629 123.554 -1.925 18726 66 1 1 . 1 1 15 15 ALA HA H 15 4.166 4.166 4.100 0.066 18726 67 1 1 . 1 1 15 15 ALA CA C 15 54.918 54.918 54.751 0.168 18726 68 1 1 . 1 1 15 15 ALA CB C 15 18.397 18.397 18.577 -0.180 18726 69 1 1 . 1 1 15 15 ALA H H 15 7.943 7.943 8.283 -0.340 18726 70 1 1 . 1 1 16 16 LEU N N 16 112.541 112.541 118.374 -5.833 18726 71 1 1 . 1 1 16 16 LEU HA H 16 3.885 3.885 4.098 -0.213 18726 72 1 1 . 1 1 16 16 LEU CA C 16 57.731 57.731 57.119 0.612 18726 73 1 1 . 1 1 16 16 LEU CB C 16 42.208 42.208 41.658 0.549 18726 74 1 1 . 1 1 16 16 LEU H H 16 8.083 8.083 8.151 -0.068 18726 75 1 1 . 1 1 17 17 THR N N 17 116.527 116.527 113.786 2.741 18726 76 1 1 . 1 1 17 17 THR HA H 17 3.388 3.388 4.117 -0.729 18726 77 1 1 . 1 1 17 17 THR CA C 17 67.972 67.972 65.888 2.084 18726 78 1 1 . 1 1 17 17 THR CB C 17 68.860 68.860 68.890 -0.030 18726 79 1 1 . 1 1 17 17 THR H H 17 8.044 8.044 7.909 0.135 18726 80 1 1 . 1 1 18 18 LYS N N 18 115.841 115.841 118.096 -2.255 18726 81 1 1 . 1 1 18 18 LYS HA H 18 4.142 4.142 4.526 -0.384 18726 82 1 1 . 1 1 18 18 LYS CA C 18 56.859 56.859 55.116 1.743 18726 83 1 1 . 1 1 18 18 LYS CB C 18 34.271 34.271 32.699 1.572 18726 84 1 1 . 1 1 18 18 LYS H H 18 6.810 6.810 7.421 -0.611 18726 85 1 1 . 1 1 19 19 THR N N 19 108.482 108.482 113.814 -5.332 18726 86 1 1 . 1 1 19 19 THR HA H 19 4.088 4.088 4.932 -0.844 18726 87 1 1 . 1 1 19 19 THR CA C 19 61.656 61.656 60.120 1.536 18726 88 1 1 . 1 1 19 19 THR CB C 19 70.168 70.168 71.793 -1.625 18726 89 1 1 . 1 1 19 19 THR H H 19 7.419 7.419 7.327 0.092 18726 90 1 1 . 1 1 20 20 ASN N N 20 126.031 126.031 125.060 0.971 18726 91 1 1 . 1 1 20 20 ASN HA H 20 4.304 4.304 4.372 -0.068 18726 92 1 1 . 1 1 20 20 ASN CA C 20 57.247 57.247 56.447 0.800 18726 93 1 1 . 1 1 20 20 ASN CB C 20 39.033 39.033 37.693 1.340 18726 94 1 1 . 1 1 20 20 ASN H H 20 11.715 11.715 8.981 2.734 18726 95 1 1 . 1 1 21 21 THR N N 21 119.223 119.223 116.176 3.047 18726 96 1 1 . 1 1 21 21 THR HA H 21 3.723 3.723 4.067 -0.344 18726 97 1 1 . 1 1 21 21 THR CA C 21 68.803 68.803 66.371 2.432 18726 98 1 1 . 1 1 21 21 THR CB C 21 70.168 70.168 68.839 1.329 18726 99 1 1 . 1 1 21 21 THR H H 21 10.495 10.495 8.774 1.721 18726 100 1 1 . 1 1 22 22 LEU N N 22 119.484 119.484 119.443 0.041 18726 101 1 1 . 1 1 22 22 LEU HA H 22 3.920 3.920 4.485 -0.565 18726 102 1 1 . 1 1 22 22 LEU CA C 22 57.360 57.360 56.133 1.227 18726 103 1 1 . 1 1 22 22 LEU CB C 22 40.983 40.983 42.421 -1.438 18726 104 1 1 . 1 1 22 22 LEU H H 22 7.908 7.908 8.235 -0.327 18726 105 1 1 . 1 1 23 23 LYS N N 23 121.033 121.033 120.503 0.530 18726 106 1 1 . 1 1 23 23 LYS HA H 23 3.843 3.843 3.946 -0.103 18726 107 1 1 . 1 1 23 23 LYS CA C 23 61.078 61.078 60.107 0.971 18726 108 1 1 . 1 1 23 23 LYS CB C 23 32.210 32.210 32.517 -0.307 18726 109 1 1 . 1 1 23 23 LYS H H 23 7.968 7.968 8.629 -0.661 18726 110 1 1 . 1 1 24 24 ALA N N 24 121.376 121.376 121.495 -0.119 18726 111 1 1 . 1 1 24 24 ALA HA H 24 4.118 4.118 4.077 0.041 18726 112 1 1 . 1 1 24 24 ALA CA C 24 54.892 54.892 55.493 -0.601 18726 113 1 1 . 1 1 24 24 ALA CB C 24 18.564 18.564 18.430 0.134 18726 114 1 1 . 1 1 24 24 ALA H H 24 8.239 8.239 8.262 -0.023 18726 115 1 1 . 1 1 25 25 VAL N N 25 118.009 118.009 113.915 4.094 18726 116 1 1 . 1 1 25 25 VAL HA H 25 3.244 3.244 3.568 -0.324 18726 117 1 1 . 1 1 25 25 VAL CA C 25 67.420 67.420 65.525 1.895 18726 118 1 1 . 1 1 25 25 VAL CB C 25 31.904 31.904 31.681 0.223 18726 119 1 1 . 1 1 25 25 VAL H H 25 7.972 7.972 7.597 0.375 18726 120 1 1 . 1 1 26 26 SER N N 26 113.107 113.107 116.306 -3.199 18726 121 1 1 . 1 1 26 26 SER HA H 26 3.645 3.645 3.941 -0.296 18726 122 1 1 . 1 1 26 26 SER CA C 26 62.157 62.157 61.342 0.815 18726 123 1 1 . 1 1 26 26 SER CB C 26 63.206 63.206 63.245 -0.039 18726 124 1 1 . 1 1 26 26 SER H H 26 8.092 8.092 8.049 0.043 18726 125 1 1 . 1 1 27 27 ALA N N 27 122.069 122.069 123.552 -1.483 18726 126 1 1 . 1 1 27 27 ALA HA H 27 4.178 4.178 4.231 -0.053 18726 127 1 1 . 1 1 27 27 ALA CA C 27 54.504 54.504 54.416 0.088 18726 128 1 1 . 1 1 27 27 ALA CB C 27 18.676 18.676 18.424 0.252 18726 129 1 1 . 1 1 27 27 ALA H H 27 8.224 8.224 7.958 0.266 18726 130 1 1 . 1 1 28 28 SER N N 28 111.990 111.990 112.731 -0.741 18726 131 1 1 . 1 1 28 28 SER HA H 28 4.298 4.298 4.292 0.006 18726 132 1 1 . 1 1 28 28 SER CA C 28 60.051 60.051 59.801 0.250 18726 133 1 1 . 1 1 28 28 SER CB C 28 64.376 64.376 63.656 0.720 18726 134 1 1 . 1 1 28 28 SER H H 28 7.441 7.441 7.574 -0.133 18726 135 1 1 . 1 1 29 29 LYS N N 29 116.653 116.653 119.367 -2.714 18726 136 1 1 . 1 1 29 29 LYS HA H 29 4.010 4.010 4.102 -0.092 18726 137 1 1 . 1 1 29 29 LYS CA C 29 56.859 56.859 56.528 0.331 18726 138 1 1 . 1 1 29 29 LYS CB C 29 30.957 30.957 31.037 -0.080 18726 139 1 1 . 1 1 29 29 LYS H H 29 7.725 7.725 7.392 0.333 18726 140 1 1 . 1 1 30 30 PRO HA H 30 4.501 4.501 4.405 0.096 18726 141 1 1 . 1 1 30 30 PRO CA C 30 62.709 62.709 63.873 -1.164 18726 142 1 1 . 1 1 30 30 PRO CB C 30 30.906 30.906 32.218 -1.312 18726 143 1 1 . 1 1 31 31 SER N N 31 115.595 115.595 111.077 4.518 18726 144 1 1 . 1 1 31 31 SER HA H 31 4.286 4.286 4.498 -0.212 18726 145 1 1 . 1 1 31 31 SER CA C 31 57.739 57.739 57.443 0.296 18726 146 1 1 . 1 1 31 31 SER CB C 31 64.515 64.515 64.478 0.037 18726 147 1 1 . 1 1 31 31 SER H H 31 8.349 8.349 7.776 0.573 18726 148 1 1 . 1 1 32 32 ALA N N 32 124.266 124.266 126.182 -1.916 18726 149 1 1 . 1 1 32 32 ALA HA H 32 4.351 4.351 4.078 0.273 18726 150 1 1 . 1 1 32 32 ALA CA C 32 55.772 55.772 54.358 1.414 18726 151 1 1 . 1 1 32 32 ALA CB C 32 18.954 18.954 18.729 0.225 18726 152 1 1 . 1 1 32 32 ALA H H 32 9.039 9.039 8.860 0.179 18726 153 1 1 . 1 1 33 33 ASN N N 33 111.722 111.722 117.185 -5.463 18726 154 1 1 . 1 1 33 33 ASN HA H 33 4.274 4.274 4.449 -0.175 18726 155 1 1 . 1 1 33 33 ASN CA C 33 56.402 56.402 55.956 0.446 18726 156 1 1 . 1 1 33 33 ASN CB C 33 37.780 37.780 37.886 -0.106 18726 157 1 1 . 1 1 33 33 ASN H H 33 8.301 8.301 8.572 -0.271 18726 158 1 1 . 1 1 34 34 VAL N N 34 123.804 123.804 116.317 7.487 18726 159 1 1 . 1 1 34 34 VAL HA H 34 3.166 3.166 3.669 -0.503 18726 160 1 1 . 1 1 34 34 VAL CA C 34 66.634 66.634 64.485 2.149 18726 161 1 1 . 1 1 34 34 VAL CB C 34 31.347 31.347 31.113 0.234 18726 162 1 1 . 1 1 34 34 VAL H H 34 7.376 7.376 7.214 0.162 18726 163 1 1 . 1 1 35 35 ALA N N 35 122.314 122.314 123.152 -0.838 18726 164 1 1 . 1 1 35 35 ALA HA H 35 3.591 3.591 3.851 -0.260 18726 165 1 1 . 1 1 35 35 ALA CA C 35 56.255 56.255 55.407 0.848 18726 166 1 1 . 1 1 35 35 ALA CB C 35 18.063 18.063 18.318 -0.255 18726 167 1 1 . 1 1 35 35 ALA H H 35 8.558 8.558 8.378 0.180 18726 168 1 1 . 1 1 36 36 VAL N N 36 115.595 115.595 117.968 -2.373 18726 169 1 1 . 1 1 36 36 VAL HA H 36 3.316 3.316 3.685 -0.369 18726 170 1 1 . 1 1 36 36 VAL CA C 36 67.756 67.756 66.659 1.097 18726 171 1 1 . 1 1 36 36 VAL CB C 36 32.099 32.099 31.258 0.841 18726 172 1 1 . 1 1 36 36 VAL H H 36 8.507 8.507 7.547 0.960 18726 173 1 1 . 1 1 37 37 ALA N N 37 126.247 126.247 123.608 2.639 18726 174 1 1 . 1 1 37 37 ALA HA H 37 4.040 4.040 4.223 -0.182 18726 175 1 1 . 1 1 37 37 ALA CA C 37 56.048 56.048 54.925 1.123 18726 176 1 1 . 1 1 37 37 ALA CB C 37 18.091 18.091 18.567 -0.476 18726 177 1 1 . 1 1 37 37 ALA H H 37 7.801 7.801 7.371 0.430 18726 178 1 1 . 1 1 38 38 ILE N N 38 118.344 118.344 119.765 -1.421 18726 179 1 1 . 1 1 38 38 ILE HA H 38 3.561 3.561 3.828 -0.267 18726 180 1 1 . 1 1 38 38 ILE CA C 38 66.263 66.263 65.625 0.638 18726 181 1 1 . 1 1 38 38 ILE CB C 38 39.395 39.395 38.172 1.223 18726 182 1 1 . 1 1 38 38 ILE H H 38 8.305 8.305 8.045 0.260 18726 183 1 1 . 1 1 39 39 VAL N N 39 117.264 117.264 120.333 -3.069 18726 184 1 1 . 1 1 39 39 VAL HA H 39 3.573 3.573 3.675 -0.102 18726 185 1 1 . 1 1 39 39 VAL CA C 39 67.074 67.074 66.076 0.998 18726 186 1 1 . 1 1 39 39 VAL CB C 39 32.127 32.127 31.892 0.234 18726 187 1 1 . 1 1 39 39 VAL H H 39 8.331 8.331 8.074 0.257 18726 188 1 1 . 1 1 40 40 THR N N 40 112.303 112.303 114.413 -2.110 18726 189 1 1 . 1 1 40 40 THR HA H 40 3.831 3.831 3.930 -0.099 18726 190 1 1 . 1 1 40 40 THR CA C 40 67.152 67.152 66.496 0.656 18726 191 1 1 . 1 1 40 40 THR CB C 40 68.776 68.776 68.504 0.272 18726 192 1 1 . 1 1 40 40 THR H H 40 9.029 9.029 8.205 0.824 18726 193 1 1 . 1 1 41 41 SER N N 41 117.085 117.085 119.133 -2.048 18726 194 1 1 . 1 1 41 41 SER HA H 41 4.274 4.274 4.132 0.142 18726 195 1 1 . 1 1 41 41 SER CA C 41 62.182 62.182 62.627 -0.445 18726 196 1 1 . 1 1 41 41 SER CB C 41 63.067 63.067 62.697 0.370 18726 197 1 1 . 1 1 41 41 SER H H 41 7.599 7.599 7.756 -0.157 18726 198 1 1 . 1 1 42 42 GLY N N 42 107.258 107.258 109.510 -2.252 18726 199 1 1 . 1 1 42 42 GLY CA C 42 47.917 47.917 46.716 1.201 18726 200 1 1 . 1 1 42 42 GLY H H 42 7.599 7.599 7.727 -0.128 18726 201 1 1 . 1 1 43 43 LEU N N 43 122.262 122.262 123.175 -0.913 18726 202 1 1 . 1 1 43 43 LEU HA H 43 3.914 3.914 4.099 -0.185 18726 203 1 1 . 1 1 43 43 LEU CA C 43 57.782 57.782 57.827 -0.045 18726 204 1 1 . 1 1 43 43 LEU CB C 43 42.876 42.876 41.708 1.168 18726 205 1 1 . 1 1 43 43 LEU H H 43 8.595 8.595 8.273 0.322 18726 206 1 1 . 1 1 44 44 LYS N N 44 118.851 118.851 119.601 -0.750 18726 207 1 1 . 1 1 44 44 LYS HA H 44 3.855 3.855 3.981 -0.126 18726 208 1 1 . 1 1 44 44 LYS CA C 44 60.604 60.604 59.977 0.627 18726 209 1 1 . 1 1 44 44 LYS CB C 44 32.322 32.322 32.182 0.140 18726 210 1 1 . 1 1 44 44 LYS H H 44 8.589 8.589 8.293 0.296 18726 211 1 1 . 1 1 45 45 LYS N N 45 118.322 118.322 119.872 -1.550 18726 212 1 1 . 1 1 45 45 LYS HA H 45 4.160 4.160 4.052 0.108 18726 213 1 1 . 1 1 45 45 LYS CA C 45 58.326 58.326 58.894 -0.568 18726 214 1 1 . 1 1 45 45 LYS CB C 45 32.492 32.492 32.242 0.250 18726 215 1 1 . 1 1 45 45 LYS H H 45 7.189 7.189 7.624 -0.435 18726 216 1 1 . 1 1 46 46 ALA N N 46 121.301 121.301 122.038 -0.737 18726 217 1 1 . 1 1 46 46 ALA HA H 46 3.831 3.831 4.078 -0.247 18726 218 1 1 . 1 1 46 46 ALA CA C 46 55.539 55.539 55.044 0.495 18726 219 1 1 . 1 1 46 46 ALA CB C 46 20.152 20.152 18.500 1.652 18726 220 1 1 . 1 1 46 46 ALA H H 46 8.060 8.060 8.035 0.025 18726 221 1 1 . 1 1 47 47 LEU N N 47 116.206 116.206 117.239 -1.033 18726 222 1 1 . 1 1 47 47 LEU HA H 47 3.902 3.902 4.006 -0.104 18726 223 1 1 . 1 1 47 47 LEU CA C 47 57.929 57.929 57.395 0.534 18726 224 1 1 . 1 1 47 47 LEU CB C 47 40.426 40.426 41.645 -1.218 18726 225 1 1 . 1 1 47 47 LEU H H 47 9.045 9.045 8.336 0.709 18726 226 1 1 . 1 1 48 48 GLY N N 48 106.001 106.001 106.620 -0.619 18726 227 1 1 . 1 1 48 48 GLY CA C 48 46.859 46.859 46.863 -0.004 18726 228 1 1 . 1 1 48 48 GLY H H 48 7.739 7.739 8.259 -0.520 18726 229 1 1 . 1 1 49 49 ALA N N 49 125.570 125.570 124.200 1.370 18726 230 1 1 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.321 -0.143 18726 231 1 1 . 1 1 49 49 ALA CA C 49 54.573 54.573 54.181 0.392 18726 232 1 1 . 1 1 49 49 ALA CB C 49 18.369 18.369 18.727 -0.359 18726 233 1 1 . 1 1 49 49 ALA H H 49 7.763 7.763 7.957 -0.194 18726 234 1 1 . 1 1 50 50 LEU N N 50 116.176 116.176 116.842 -0.666 18726 235 1 1 . 1 1 50 50 LEU HA H 50 4.178 4.178 4.431 -0.253 18726 236 1 1 . 1 1 50 50 LEU CA C 50 54.961 54.961 53.815 1.146 18726 237 1 1 . 1 1 50 50 LEU CB C 50 44.213 44.213 42.123 2.090 18726 238 1 1 . 1 1 50 50 LEU H H 50 7.519 7.519 7.163 0.356 18726 239 1 1 . 1 1 51 51 ARG N N 51 115.327 115.327 115.735 -0.408 18726 240 1 1 . 1 1 51 51 ARG HA H 51 3.920 3.920 3.910 0.010 18726 241 1 1 . 1 1 51 51 ARG CA C 51 56.894 56.894 56.906 -0.012 18726 242 1 1 . 1 1 51 51 ARG CB C 51 27.559 27.559 27.163 0.397 18726 243 1 1 . 1 1 51 51 ARG H H 51 7.782 7.782 7.431 0.351 18726 244 1 1 . 1 1 52 52 ILE N N 52 118.612 118.612 118.148 0.464 18726 245 1 1 . 1 1 52 52 ILE HA H 52 4.052 4.052 4.008 0.044 18726 246 1 1 . 1 1 52 52 ILE CA C 52 59.465 59.465 59.492 -0.027 18726 247 1 1 . 1 1 52 52 ILE CB C 52 36.778 36.778 37.598 -0.820 18726 248 1 1 . 1 1 52 52 ILE H H 52 7.381 7.381 7.977 -0.596 18726 249 1 1 . 1 1 53 53 ASN N N 53 124.728 124.728 125.519 -0.791 18726 250 1 1 . 1 1 53 53 ASN HA H 53 4.435 4.435 4.488 -0.053 18726 251 1 1 . 1 1 53 53 ASN CA C 53 54.219 54.219 53.835 0.384 18726 252 1 1 . 1 1 53 53 ASN CB C 53 39.897 39.897 40.029 -0.132 18726 253 1 1 . 1 1 53 53 ASN H H 53 8.503 8.503 8.656 -0.153 18726 254 1 1 . 1 1 54 54 ALA HA H 54 4.064 4.064 4.091 -0.027 18726 255 1 1 . 1 1 54 54 ALA CA C 54 55.772 55.772 54.904 0.869 18726 256 1 1 . 1 1 54 54 ALA CB C 54 18.926 18.926 18.970 -0.043 18726 257 1 1 . 1 1 55 55 GLY N N 55 108.675 108.675 106.909 1.766 18726 258 1 1 . 1 1 55 55 GLY CA C 55 47.165 47.165 47.160 0.005 18726 259 1 1 . 1 1 55 55 GLY H H 55 8.479 8.479 8.812 -0.333 18726 260 1 1 . 1 1 56 56 VAL N N 56 124.251 124.251 120.857 3.394 18726 261 1 1 . 1 1 56 56 VAL HA H 56 3.687 3.687 3.836 -0.149 18726 262 1 1 . 1 1 56 56 VAL CA C 56 66.160 66.160 63.995 2.165 18726 263 1 1 . 1 1 56 56 VAL CB C 56 31.598 31.598 31.612 -0.014 18726 264 1 1 . 1 1 56 56 VAL H H 56 8.035 8.035 7.650 0.385 18726 265 1 1 . 1 1 57 57 SER N N 57 115.290 115.290 114.665 0.625 18726 266 1 1 . 1 1 57 57 SER HA H 57 3.992 3.992 4.160 -0.168 18726 267 1 1 . 1 1 57 57 SER CA C 57 62.881 62.881 61.225 1.656 18726 268 1 1 . 1 1 57 57 SER CB C 57 62.733 62.733 62.664 0.069 18726 269 1 1 . 1 1 57 57 SER H H 57 8.551 8.551 8.486 0.065 18726 270 1 1 . 1 1 58 58 SER N N 58 117.711 117.711 117.944 -0.233 18726 271 1 1 . 1 1 58 58 SER HA H 58 4.238 4.238 4.286 -0.048 18726 272 1 1 . 1 1 58 58 SER CA C 58 61.656 61.656 60.725 0.931 18726 273 1 1 . 1 1 58 58 SER CB C 58 62.800 62.800 63.431 -0.631 18726 274 1 1 . 1 1 58 58 SER H H 58 8.176 8.176 7.959 0.217 18726 275 1 1 . 1 1 59 59 GLN N N 59 122.746 122.746 120.987 1.759 18726 276 1 1 . 1 1 59 59 GLN HA H 59 4.046 4.046 4.084 -0.038 18726 277 1 1 . 1 1 59 59 GLN CA C 59 59.249 59.249 58.194 1.055 18726 278 1 1 . 1 1 59 59 GLN CB C 59 28.980 28.980 28.449 0.531 18726 279 1 1 . 1 1 59 59 GLN H H 59 7.737 7.737 7.590 0.147 18726 280 1 1 . 1 1 60 60 LEU N N 60 121.748 121.748 121.867 -0.119 18726 281 1 1 . 1 1 60 60 LEU HA H 60 3.980 3.980 4.096 -0.116 18726 282 1 1 . 1 1 60 60 LEU CA C 60 60.483 60.483 58.323 2.160 18726 283 1 1 . 1 1 60 60 LEU CB C 60 43.378 43.378 42.273 1.105 18726 284 1 1 . 1 1 60 60 LEU H H 60 8.804 8.804 8.355 0.449 18726 285 1 1 . 1 1 61 61 THR N N 61 114.366 114.366 112.110 2.256 18726 286 1 1 . 1 1 61 61 THR HA H 61 3.675 3.675 3.999 -0.324 18726 287 1 1 . 1 1 61 61 THR CA C 61 67.713 67.713 66.255 1.458 18726 288 1 1 . 1 1 61 61 THR CB C 61 67.968 67.968 68.467 -0.499 18726 289 1 1 . 1 1 61 61 THR H H 61 8.654 8.654 7.675 0.979 18726 290 1 1 . 1 1 62 62 SER N N 62 119.141 119.141 120.040 -0.899 18726 291 1 1 . 1 1 62 62 SER HA H 62 4.232 4.232 4.194 0.038 18726 292 1 1 . 1 1 62 62 SER CA C 62 62.217 62.217 62.349 -0.132 18726 293 1 1 . 1 1 62 62 SER CB C 62 62.900 62.900 63.007 -0.107 18726 294 1 1 . 1 1 62 62 SER H H 62 8.161 8.161 7.666 0.495 18726 295 1 1 . 1 1 63 63 ALA N N 63 124.393 124.393 124.146 0.247 18726 296 1 1 . 1 1 63 63 ALA HA H 63 4.178 4.178 4.170 0.008 18726 297 1 1 . 1 1 63 63 ALA CA C 63 55.418 55.418 54.947 0.471 18726 298 1 1 . 1 1 63 63 ALA CB C 63 19.066 19.066 18.296 0.770 18726 299 1 1 . 1 1 63 63 ALA H H 63 7.921 7.921 7.939 -0.018 18726 300 1 1 . 1 1 64 64 VAL N N 64 118.888 118.888 119.206 -0.318 18726 301 1 1 . 1 1 64 64 VAL HA H 64 3.765 3.765 3.687 0.078 18726 302 1 1 . 1 1 64 64 VAL CA C 64 66.419 66.419 66.354 0.065 18726 303 1 1 . 1 1 64 64 VAL CB C 64 31.966 31.966 31.259 0.707 18726 304 1 1 . 1 1 64 64 VAL H H 64 8.548 8.548 8.348 0.200 18726 305 1 1 . 1 1 65 65 SER N N 65 115.469 115.469 114.659 0.810 18726 306 1 1 . 1 1 65 65 SER HA H 65 3.920 3.920 4.103 -0.183 18726 307 1 1 . 1 1 65 65 SER CA C 65 63.235 63.235 62.048 1.187 18726 308 1 1 . 1 1 65 65 SER CB C 65 63.291 63.291 62.719 0.572 18726 309 1 1 . 1 1 65 65 SER H H 65 8.360 8.360 8.381 -0.021 18726 310 1 1 . 1 1 66 66 GLN N N 66 118.918 118.918 123.171 -4.253 18726 311 1 1 . 1 1 66 66 GLN HA H 66 3.938 3.938 4.096 -0.158 18726 312 1 1 . 1 1 66 66 GLN CA C 66 58.844 58.844 58.386 0.458 18726 313 1 1 . 1 1 66 66 GLN CB C 66 28.810 28.810 28.233 0.577 18726 314 1 1 . 1 1 66 66 GLN H H 66 7.676 7.676 7.505 0.171 18726 315 1 1 . 1 1 67 67 ALA N N 67 120.720 120.720 120.368 0.352 18726 316 1 1 . 1 1 67 67 ALA HA H 67 4.154 4.154 4.104 0.050 18726 317 1 1 . 1 1 67 67 ALA CA C 67 55.323 55.323 54.790 0.533 18726 318 1 1 . 1 1 67 67 ALA CB C 67 19.483 19.483 18.769 0.714 18726 319 1 1 . 1 1 67 67 ALA H H 67 7.390 7.390 7.825 -0.435 18726 320 1 1 . 1 1 68 68 VAL N N 68 119.335 119.335 117.091 2.244 18726 321 1 1 . 1 1 68 68 VAL HA H 68 3.447 3.447 3.697 -0.251 18726 322 1 1 . 1 1 68 68 VAL CA C 68 66.591 66.591 65.255 1.336 18726 323 1 1 . 1 1 68 68 VAL CB C 68 31.514 31.514 31.285 0.230 18726 324 1 1 . 1 1 68 68 VAL H H 68 9.069 9.069 7.881 1.188 18726 325 1 1 . 1 1 69 69 ALA N N 69 122.568 122.568 119.373 3.195 18726 326 1 1 . 1 1 69 69 ALA HA H 69 3.962 3.962 4.287 -0.325 18726 327 1 1 . 1 1 69 69 ALA CA C 69 54.512 54.512 53.554 0.958 18726 328 1 1 . 1 1 69 69 ALA CB C 69 18.035 18.035 18.436 -0.401 18726 329 1 1 . 1 1 69 69 ALA H H 69 8.370 8.370 7.825 0.545 18726 330 1 1 . 1 1 70 70 ASN N N 70 113.242 113.242 116.294 -3.052 18726 331 1 1 . 1 1 70 70 ASN HA H 70 4.651 4.651 4.711 -0.060 18726 332 1 1 . 1 1 70 70 ASN CA C 70 52.994 52.994 54.042 -1.048 18726 333 1 1 . 1 1 70 70 ASN CB C 70 39.897 39.897 39.800 0.097 18726 334 1 1 . 1 1 70 70 ASN H H 70 6.987 6.987 7.567 -0.580 18726 335 1 1 . 1 1 71 71 VAL N N 71 122.456 122.456 118.648 3.808 18726 336 1 1 . 1 1 71 71 VAL HA H 71 3.591 3.591 3.814 -0.223 18726 337 1 1 . 1 1 71 71 VAL CA C 71 63.037 63.037 62.876 0.161 18726 338 1 1 . 1 1 71 71 VAL CB C 71 31.598 31.598 32.068 -0.470 18726 339 1 1 . 1 1 71 71 VAL H H 71 7.284 7.284 7.405 -0.121 18726 340 1 1 . 1 1 72 72 ARG N N 72 108.757 108.757 116.481 -7.724 18726 341 1 1 . 1 1 72 72 ARG HA H 72 4.387 4.387 4.058 0.329 18726 342 1 1 . 1 1 72 72 ARG CA C 72 54.487 54.487 56.167 -1.680 18726 343 1 1 . 1 1 72 72 ARG CB C 72 29.840 29.840 27.593 2.247 18726 344 1 1 . 1 1 72 72 ARG H H 72 8.700 8.700 7.617 1.083 18726 345 1 1 . 1 1 73 73 PRO HA H 73 4.399 4.399 4.619 -0.220 18726 346 1 1 . 1 1 73 73 PRO CA C 73 64.339 64.339 63.352 0.987 18726 347 1 1 . 1 1 73 73 PRO CB C 73 32.043 32.043 32.080 -0.037 18726 348 1 1 . 1 1 74 74 GLY N N 74 111.647 111.647 108.523 3.124 18726 349 1 1 . 1 1 74 74 GLY CA C 74 45.188 45.188 45.101 0.087 18726 350 1 1 . 1 1 74 74 GLY H H 74 9.447 9.447 8.898 0.549 18726 351 1 1 . 1 1 75 75 SER N N 75 116.057 116.057 115.956 0.101 18726 352 1 1 . 1 1 75 75 SER HA H 75 4.477 4.477 4.710 -0.233 18726 353 1 1 . 1 1 75 75 SER CA C 75 60.509 60.509 56.491 4.018 18726 354 1 1 . 1 1 75 75 SER CB C 75 64.710 64.710 65.523 -0.813 18726 355 1 1 . 1 1 75 75 SER H H 75 7.600 7.600 8.014 -0.414 18726 356 1 1 . 1 1 76 76 SER N N 76 118.456 118.456 119.008 -0.552 18726 357 1 1 . 1 1 76 76 SER HA H 76 4.693 4.693 4.518 0.175 18726 358 1 1 . 1 1 76 76 SER CA C 76 57.247 57.247 57.549 -0.302 18726 359 1 1 . 1 1 76 76 SER CB C 76 63.011 63.011 63.648 -0.637 18726 360 1 1 . 1 1 76 76 SER H H 76 8.726 8.726 8.873 -0.147 18726 361 1 1 . 1 1 77 77 PRO HA H 77 4.262 4.262 4.424 -0.162 18726 362 1 1 . 1 1 77 77 PRO CA C 77 66.565 66.565 64.597 1.968 18726 363 1 1 . 1 1 77 77 PRO CB C 77 32.350 32.350 31.910 0.440 18726 364 1 1 . 1 1 78 78 ALA N N 78 117.189 117.189 121.434 -4.245 18726 365 1 1 . 1 1 78 78 ALA HA H 78 4.513 4.513 4.301 0.212 18726 366 1 1 . 1 1 78 78 ALA CA C 78 54.590 54.590 54.536 0.054 18726 367 1 1 . 1 1 78 78 ALA CB C 78 18.982 18.982 18.620 0.362 18726 368 1 1 . 1 1 78 78 ALA H H 78 8.085 8.085 8.334 -0.249 18726 369 1 1 . 1 1 79 79 VAL N N 79 119.946 119.946 116.223 3.723 18726 370 1 1 . 1 1 79 79 VAL HA H 79 3.609 3.609 3.768 -0.159 18726 371 1 1 . 1 1 79 79 VAL CA C 79 66.307 66.307 65.429 0.878 18726 372 1 1 . 1 1 79 79 VAL CB C 79 31.820 31.820 30.369 1.451 18726 373 1 1 . 1 1 79 79 VAL H H 79 7.741 7.741 7.519 0.222 18726 374 1 1 . 1 1 80 80 TYR N N 80 117.577 117.577 120.669 -3.092 18726 375 1 1 . 1 1 80 80 TYR HA H 80 3.867 3.867 4.088 -0.221 18726 376 1 1 . 1 1 80 80 TYR CA C 80 63.675 63.675 62.442 1.233 18726 377 1 1 . 1 1 80 80 TYR CB C 80 39.924 39.924 37.840 2.083 18726 378 1 1 . 1 1 80 80 TYR H H 80 7.207 7.207 7.528 -0.321 18726 379 1 1 . 1 1 81 81 ALA N N 81 118.761 118.761 119.279 -0.518 18726 380 1 1 . 1 1 81 81 ALA HA H 81 3.711 3.711 3.931 -0.220 18726 381 1 1 . 1 1 81 81 ALA CA C 81 55.781 55.781 55.162 0.619 18726 382 1 1 . 1 1 81 81 ALA CB C 81 20.792 20.792 18.246 2.546 18726 383 1 1 . 1 1 81 81 ALA H H 81 8.962 8.962 8.007 0.955 18726 384 1 1 . 1 1 82 82 LYS N N 82 117.778 117.778 119.331 -1.553 18726 385 1 1 . 1 1 82 82 LYS HA H 82 3.807 3.807 4.095 -0.288 18726 386 1 1 . 1 1 82 82 LYS CA C 82 60.155 60.155 58.867 1.288 18726 387 1 1 . 1 1 82 82 LYS CB C 82 32.322 32.322 32.524 -0.202 18726 388 1 1 . 1 1 82 82 LYS H H 82 7.727 7.727 7.646 0.081 18726 389 1 1 . 1 1 83 83 ALA N N 83 120.810 120.810 120.328 0.482 18726 390 1 1 . 1 1 83 83 ALA HA H 83 4.022 4.022 4.208 -0.186 18726 391 1 1 . 1 1 83 83 ALA CA C 83 54.366 54.366 54.571 -0.205 18726 392 1 1 . 1 1 83 83 ALA CB C 83 18.453 18.453 18.262 0.191 18726 393 1 1 . 1 1 83 83 ALA H H 83 7.182 7.182 8.141 -0.959 18726 394 1 1 . 1 1 84 84 ILE N N 84 109.964 109.964 115.843 -5.879 18726 395 1 1 . 1 1 84 84 ILE HA H 84 3.861 3.861 3.994 -0.133 18726 396 1 1 . 1 1 84 84 ILE CA C 84 63.373 63.373 62.983 0.390 18726 397 1 1 . 1 1 84 84 ILE CB C 84 40.342 40.342 38.757 1.585 18726 398 1 1 . 1 1 84 84 ILE H H 84 7.109 7.109 7.122 -0.013 18726 399 1 1 . 1 1 85 85 ALA N N 85 120.162 120.162 122.996 -2.834 18726 400 1 1 . 1 1 85 85 ALA HA H 85 3.777 3.777 4.338 -0.561 18726 401 1 1 . 1 1 85 85 ALA CA C 85 55.789 55.789 54.645 1.143 18726 402 1 1 . 1 1 85 85 ALA CB C 85 20.931 20.931 18.191 2.740 18726 403 1 1 . 1 1 85 85 ALA H H 85 8.770 8.770 7.773 0.997 18726 404 1 1 . 1 1 86 86 ALA N N 86 116.824 116.824 123.058 -6.234 18726 405 1 1 . 1 1 86 86 ALA HA H 86 4.310 4.310 4.096 0.214 18726 406 1 1 . 1 1 86 86 ALA CA C 86 56.756 56.756 56.711 0.045 18726 407 1 1 . 1 1 86 86 ALA CB C 86 15.417 15.417 16.352 -0.935 18726 408 1 1 . 1 1 86 86 ALA H H 86 8.513 8.513 8.529 -0.016 18726 409 1 1 . 1 1 87 87 PRO HA H 87 4.405 4.405 4.321 0.084 18726 410 1 1 . 1 1 87 87 PRO CA C 87 65.185 65.185 65.296 -0.111 18726 411 1 1 . 1 1 87 87 PRO CB C 87 30.734 30.734 31.134 -0.400 18726 412 1 1 . 1 1 88 88 SER N N 88 108.653 108.653 114.316 -5.663 18726 413 1 1 . 1 1 88 88 SER HA H 88 3.861 3.861 4.315 -0.454 18726 414 1 1 . 1 1 88 88 SER CA C 88 62.735 62.735 62.515 0.220 18726 415 1 1 . 1 1 88 88 SER CB C 88 63.039 63.039 63.434 -0.395 18726 416 1 1 . 1 1 88 88 SER H H 88 6.474 6.474 7.833 -1.359 18726 417 1 1 . 1 1 89 89 VAL N N 89 120.951 120.951 120.505 0.446 18726 418 1 1 . 1 1 89 89 VAL HA H 89 3.226 3.226 3.805 -0.579 18726 419 1 1 . 1 1 89 89 VAL CA C 89 67.644 67.644 65.985 1.659 18726 420 1 1 . 1 1 89 89 VAL CB C 89 30.929 30.929 30.761 0.168 18726 421 1 1 . 1 1 89 89 VAL H H 89 8.220 8.220 8.521 -0.301 18726 422 1 1 . 1 1 90 90 GLN N N 90 117.435 117.435 118.938 -1.503 18726 423 1 1 . 1 1 90 90 GLN HA H 90 3.873 3.873 4.137 -0.264 18726 424 1 1 . 1 1 90 90 GLN CA C 90 59.818 59.818 59.118 0.700 18726 425 1 1 . 1 1 90 90 GLN CB C 90 28.256 28.256 28.248 0.008 18726 426 1 1 . 1 1 90 90 GLN H H 90 7.922 7.922 8.015 -0.093 18726 427 1 1 . 1 1 91 91 ILE N N 91 117.875 117.875 120.011 -2.136 18726 428 1 1 . 1 1 91 91 ILE HA H 91 4.052 4.052 3.901 0.151 18726 429 1 1 . 1 1 91 91 ILE CA C 91 63.201 63.201 64.154 -0.953 18726 430 1 1 . 1 1 91 91 ILE CB C 91 37.613 37.613 38.297 -0.684 18726 431 1 1 . 1 1 91 91 ILE H H 91 7.532 7.532 7.362 0.170 18726 432 1 1 . 1 1 92 92 LEU N N 92 123.357 123.357 120.746 2.611 18726 433 1 1 . 1 1 92 92 LEU HA H 92 3.807 3.807 3.999 -0.192 18726 434 1 1 . 1 1 92 92 LEU CA C 92 59.171 59.171 58.378 0.793 18726 435 1 1 . 1 1 92 92 LEU CB C 92 41.205 41.205 41.926 -0.721 18726 436 1 1 . 1 1 92 92 LEU H H 92 8.481 8.481 8.219 0.262 18726 437 1 1 . 1 1 93 93 VAL N N 93 118.180 118.180 118.581 -0.401 18726 438 1 1 . 1 1 93 93 VAL HA H 93 3.873 3.873 3.914 -0.041 18726 439 1 1 . 1 1 93 93 VAL CA C 93 66.496 66.496 64.626 1.870 18726 440 1 1 . 1 1 93 93 VAL CB C 93 31.765 31.765 31.899 -0.134 18726 441 1 1 . 1 1 93 93 VAL H H 93 8.777 8.777 8.409 0.368 18726 442 1 1 . 1 1 94 94 SER N N 94 118.471 118.471 115.662 2.809 18726 443 1 1 . 1 1 94 94 SER HA H 94 4.226 4.226 4.308 -0.082 18726 444 1 1 . 1 1 94 94 SER CA C 94 62.390 62.390 61.133 1.257 18726 445 1 1 . 1 1 94 94 SER CB C 94 62.733 62.733 63.444 -0.711 18726 446 1 1 . 1 1 94 94 SER H H 94 8.660 8.660 7.783 0.877 18726 447 1 1 . 1 1 95 95 SER N N 95 112.698 112.698 114.357 -1.659 18726 448 1 1 . 1 1 95 95 SER HA H 95 4.441 4.441 4.601 -0.160 18726 449 1 1 . 1 1 95 95 SER CA C 95 59.301 59.301 57.451 1.850 18726 450 1 1 . 1 1 95 95 SER CB C 95 65.935 65.935 63.575 2.360 18726 451 1 1 . 1 1 95 95 SER H H 95 8.048 8.048 7.762 0.286 18726 452 1 1 . 1 1 96 96 GLY N N 96 110.277 110.277 109.480 0.797 18726 453 1 1 . 1 1 96 96 GLY CA C 96 45.968 45.968 46.132 -0.164 18726 454 1 1 . 1 1 96 96 GLY H H 96 7.955 7.955 7.324 0.631 18726 455 1 1 . 1 1 97 97 SER N N 97 115.595 115.595 115.376 0.219 18726 456 1 1 . 1 1 97 97 SER HA H 97 4.292 4.292 4.193 0.099 18726 457 1 1 . 1 1 97 97 SER CA C 97 61.535 61.535 60.503 1.032 18726 458 1 1 . 1 1 97 97 SER CB C 97 64.042 64.042 63.775 0.267 18726 459 1 1 . 1 1 97 97 SER H H 97 8.216 8.216 7.983 0.233 18726 460 1 1 . 1 1 98 98 VAL N N 98 116.579 116.579 115.574 1.005 18726 461 1 1 . 1 1 98 98 VAL HA H 98 4.884 4.884 4.382 0.502 18726 462 1 1 . 1 1 98 98 VAL CA C 98 59.111 59.111 60.676 -1.565 18726 463 1 1 . 1 1 98 98 VAL CB C 98 35.051 35.051 34.698 0.353 18726 464 1 1 . 1 1 98 98 VAL H H 98 7.288 7.288 7.437 -0.149 18726 465 1 1 . 1 1 99 99 ASN N N 99 123.722 123.722 122.986 0.736 18726 466 1 1 . 1 1 99 99 ASN HA H 99 4.627 4.627 4.886 -0.259 18726 467 1 1 . 1 1 99 99 ASN CA C 99 51.838 51.838 51.743 0.095 18726 468 1 1 . 1 1 99 99 ASN CB C 99 40.676 40.676 40.745 -0.069 18726 469 1 1 . 1 1 99 99 ASN H H 99 9.179 9.179 8.514 0.665 18726 470 1 1 . 1 1 100 100 ASN N N 100 115.148 115.148 118.580 -3.432 18726 471 1 1 . 1 1 100 100 ASN HA H 100 4.292 4.292 4.825 -0.533 18726 472 1 1 . 1 1 100 100 ASN CA C 100 56.894 56.894 53.904 2.990 18726 473 1 1 . 1 1 100 100 ASN CB C 100 38.281 38.281 37.140 1.141 18726 474 1 1 . 1 1 100 100 ASN H H 100 8.667 8.667 8.758 -0.091 18726 475 1 1 . 1 1 101 101 ASN N N 101 115.201 115.201 117.130 -1.929 18726 476 1 1 . 1 1 101 101 ASN HA H 101 4.711 4.711 4.727 -0.016 18726 477 1 1 . 1 1 101 101 ASN CA C 101 55.306 55.306 55.233 0.073 18726 478 1 1 . 1 1 101 101 ASN CB C 101 39.256 39.256 39.332 -0.076 18726 479 1 1 . 1 1 101 101 ASN H H 101 8.471 8.471 8.287 0.184 18726 480 1 1 . 1 1 102 102 ASN N N 102 116.780 116.780 117.707 -0.927 18726 481 1 1 . 1 1 102 102 ASN HA H 102 5.124 5.124 4.864 0.261 18726 482 1 1 . 1 1 102 102 ASN CA C 102 51.950 51.950 53.375 -1.425 18726 483 1 1 . 1 1 102 102 ASN CB C 102 39.089 39.089 39.696 -0.607 18726 484 1 1 . 1 1 102 102 ASN H H 102 7.854 7.854 8.024 -0.170 18726 485 1 1 . 1 1 103 103 ALA N N 103 121.808 121.808 123.765 -1.957 18726 486 1 1 . 1 1 103 103 ALA HA H 103 3.747 3.747 3.881 -0.134 18726 487 1 1 . 1 1 103 103 ALA CA C 103 57.058 57.058 55.566 1.492 18726 488 1 1 . 1 1 103 103 ALA CB C 103 19.511 19.511 18.348 1.163 18726 489 1 1 . 1 1 103 103 ALA H H 103 7.447 7.447 7.921 -0.474 18726 490 1 1 . 1 1 104 104 LYS N N 104 114.873 114.873 116.936 -2.063 18726 491 1 1 . 1 1 104 104 LYS HA H 104 3.992 3.992 3.880 0.112 18726 492 1 1 . 1 1 104 104 LYS CA C 104 60.284 60.284 59.026 1.258 18726 493 1 1 . 1 1 104 104 LYS CB C 104 32.322 32.322 31.641 0.681 18726 494 1 1 . 1 1 104 104 LYS H H 104 8.344 8.344 8.559 -0.215 18726 495 1 1 . 1 1 105 105 GLN N N 105 120.720 120.720 119.878 0.842 18726 496 1 1 . 1 1 105 105 GLN HA H 105 4.094 4.094 4.119 -0.025 18726 497 1 1 . 1 1 105 105 GLN CA C 105 59.137 59.137 59.715 -0.578 18726 498 1 1 . 1 1 105 105 GLN CB C 105 28.339 28.339 28.663 -0.324 18726 499 1 1 . 1 1 105 105 GLN H H 105 7.892 7.892 7.396 0.496 18726 500 1 1 . 1 1 106 106 VAL N N 106 120.556 120.556 120.550 0.006 18726 501 1 1 . 1 1 106 106 VAL HA H 106 3.567 3.567 3.728 -0.161 18726 502 1 1 . 1 1 106 106 VAL CA C 106 66.496 66.496 64.953 1.543 18726 503 1 1 . 1 1 106 106 VAL CB C 106 31.848 31.848 31.238 0.610 18726 504 1 1 . 1 1 106 106 VAL H H 106 8.693 8.693 8.699 -0.006 18726 505 1 1 . 1 1 107 107 ALA N N 107 119.655 119.655 121.287 -1.632 18726 506 1 1 . 1 1 107 107 ALA HA H 107 3.813 3.813 3.973 -0.160 18726 507 1 1 . 1 1 107 107 ALA CA C 107 55.884 55.884 55.439 0.445 18726 508 1 1 . 1 1 107 107 ALA CB C 107 18.174 18.174 17.832 0.342 18726 509 1 1 . 1 1 107 107 ALA H H 107 8.750 8.750 8.044 0.706 18726 510 1 1 . 1 1 108 108 SER N N 108 115.469 115.469 113.918 1.551 18726 511 1 1 . 1 1 108 108 SER HA H 108 4.304 4.304 4.254 0.050 18726 512 1 1 . 1 1 108 108 SER CA C 108 61.950 61.950 61.035 0.916 18726 513 1 1 . 1 1 108 108 SER CB C 108 63.290 63.290 63.309 -0.019 18726 514 1 1 . 1 1 108 108 SER H H 108 8.162 8.162 7.730 0.432 18726 515 1 1 . 1 1 109 109 THR N N 109 119.201 119.201 120.298 -1.097 18726 516 1 1 . 1 1 109 109 THR HA H 109 4.052 4.052 4.033 0.019 18726 517 1 1 . 1 1 109 109 THR CA C 109 67.195 67.195 66.713 0.482 18726 518 1 1 . 1 1 109 109 THR CB C 109 68.832 68.832 68.950 -0.118 18726 519 1 1 . 1 1 109 109 THR H H 109 8.218 8.218 8.166 0.052 18726 520 1 1 . 1 1 110 110 LEU N N 110 122.329 122.329 122.499 -0.170 18726 521 1 1 . 1 1 110 110 LEU HA H 110 3.920 3.920 3.923 -0.003 18726 522 1 1 . 1 1 110 110 LEU CA C 110 59.025 59.025 58.889 0.136 18726 523 1 1 . 1 1 110 110 LEU CB C 110 43.211 43.211 41.937 1.274 18726 524 1 1 . 1 1 110 110 LEU H H 110 9.083 9.083 8.567 0.516 18726 525 1 1 . 1 1 111 111 SER N N 111 113.018 113.018 113.671 -0.653 18726 526 1 1 . 1 1 111 111 SER HA H 111 3.747 3.747 4.080 -0.333 18726 527 1 1 . 1 1 111 111 SER CA C 111 63.848 63.848 61.847 2.001 18726 528 1 1 . 1 1 111 111 SER CB C 111 63.958 63.958 62.579 1.379 18726 529 1 1 . 1 1 111 111 SER H H 111 8.052 8.052 7.917 0.135 18726 530 1 1 . 1 1 112 112 GLU N N 112 122.329 122.329 122.969 -0.640 18726 531 1 1 . 1 1 112 112 GLU HA H 112 3.741 3.741 4.014 -0.273 18726 532 1 1 . 1 1 112 112 GLU CA C 112 60.431 60.431 59.609 0.822 18726 533 1 1 . 1 1 112 112 GLU CB C 112 29.199 29.199 29.498 -0.300 18726 534 1 1 . 1 1 112 112 GLU H H 112 8.358 8.358 8.102 0.256 18726 535 1 1 . 1 1 113 113 ASN N N 113 113.629 113.629 118.021 -4.392 18726 536 1 1 . 1 1 113 113 ASN HA H 113 4.375 4.375 4.572 -0.197 18726 537 1 1 . 1 1 113 113 ASN CA C 113 57.523 57.523 56.420 1.103 18726 538 1 1 . 1 1 113 113 ASN CB C 113 40.788 40.788 39.212 1.576 18726 539 1 1 . 1 1 113 113 ASN H H 113 7.265 7.265 8.470 -1.205 18726 540 1 1 . 1 1 114 114 LEU N N 114 118.054 118.054 123.264 -5.210 18726 541 1 1 . 1 1 114 114 LEU HA H 114 3.944 3.944 4.135 -0.191 18726 542 1 1 . 1 1 114 114 LEU CA C 114 58.619 58.619 58.396 0.223 18726 543 1 1 . 1 1 114 114 LEU CB C 114 43.489 43.489 42.148 1.341 18726 544 1 1 . 1 1 114 114 LEU H H 114 8.417 8.417 8.606 -0.189 18726 545 1 1 . 1 1 115 115 VAL N N 115 115.990 115.990 118.603 -2.613 18726 546 1 1 . 1 1 115 115 VAL HA H 115 3.561 3.561 3.596 -0.035 18726 547 1 1 . 1 1 115 115 VAL CA C 115 67.730 67.730 66.047 1.683 18726 548 1 1 . 1 1 115 115 VAL CB C 115 31.820 31.820 31.810 0.010 18726 549 1 1 . 1 1 115 115 VAL H H 115 8.051 8.051 8.576 -0.525 18726 550 1 1 . 1 1 116 116 ARG N N 116 116.541 116.541 119.942 -3.401 18726 551 1 1 . 1 1 116 116 ARG HA H 116 3.771 3.771 3.969 -0.198 18726 552 1 1 . 1 1 116 116 ARG CA C 116 60.552 60.552 59.756 0.796 18726 553 1 1 . 1 1 116 116 ARG CB C 116 30.790 30.790 30.015 0.775 18726 554 1 1 . 1 1 116 116 ARG H H 116 7.799 7.799 7.491 0.308 18726 555 1 1 . 1 1 117 117 GLU N N 117 116.013 116.013 119.787 -3.774 18726 556 1 1 . 1 1 117 117 GLU HA H 117 4.627 4.627 4.131 0.496 18726 557 1 1 . 1 1 117 117 GLU CA C 117 57.593 57.593 58.974 -1.381 18726 558 1 1 . 1 1 117 117 GLU CB C 117 28.952 28.952 29.137 -0.185 18726 559 1 1 . 1 1 117 117 GLU H H 117 8.089 8.089 8.264 -0.174 18726 560 1 1 . 1 1 118 118 MET N N 118 120.497 120.497 119.116 1.381 18726 561 1 1 . 1 1 118 118 MET HA H 118 4.046 4.046 4.278 -0.232 18726 562 1 1 . 1 1 118 118 MET CA C 118 60.845 60.845 59.535 1.310 18726 563 1 1 . 1 1 118 118 MET CB C 118 34.132 34.132 32.583 1.550 18726 564 1 1 . 1 1 118 118 MET H H 118 8.751 8.751 8.619 0.132 18726 565 1 1 . 1 1 119 119 ALA N N 119 119.171 119.171 121.637 -2.466 18726 566 1 1 . 1 1 119 119 ALA HA H 119 3.819 3.819 3.988 -0.169 18726 567 1 1 . 1 1 119 119 ALA CA C 119 55.979 55.979 55.243 0.736 18726 568 1 1 . 1 1 119 119 ALA CB C 119 18.954 18.954 18.292 0.662 18726 569 1 1 . 1 1 119 119 ALA H H 119 7.903 7.903 7.947 -0.044 18726 570 1 1 . 1 1 120 120 ASN N N 120 115.223 115.223 116.972 -1.749 18726 571 1 1 . 1 1 120 120 ASN HA H 120 4.465 4.465 4.443 0.022 18726 572 1 1 . 1 1 120 120 ASN CA C 120 56.480 56.480 56.312 0.168 18726 573 1 1 . 1 1 120 120 ASN CB C 120 38.922 38.922 38.382 0.540 18726 574 1 1 . 1 1 120 120 ASN H H 120 7.687 7.687 7.913 -0.226 18726 575 1 1 . 1 1 121 121 THR N N 121 117.264 117.264 116.054 1.210 18726 576 1 1 . 1 1 121 121 THR HA H 121 3.956 3.956 4.094 -0.138 18726 577 1 1 . 1 1 121 121 THR CA C 121 67.074 67.074 65.948 1.126 18726 578 1 1 . 1 1 121 121 THR CB C 121 68.247 68.247 68.814 -0.567 18726 579 1 1 . 1 1 121 121 THR H H 121 8.726 8.726 8.118 0.608 18726 580 1 1 . 1 1 122 122 ALA N N 122 123.581 123.581 124.862 -1.281 18726 581 1 1 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.238 -0.282 18726 582 1 1 . 1 1 122 122 ALA CA C 122 55.824 55.824 54.941 0.883 18726 583 1 1 . 1 1 122 122 ALA CB C 122 16.782 16.782 18.205 -1.423 18726 584 1 1 . 1 1 122 122 ALA H H 122 8.955 8.955 8.091 0.864 18726 585 1 1 . 1 1 123 123 ARG N N 123 116.698 116.698 117.166 -0.468 18726 586 1 1 . 1 1 123 123 ARG HA H 123 4.190 4.190 4.043 0.147 18726 587 1 1 . 1 1 123 123 ARG CA C 123 59.732 59.732 59.274 0.458 18726 588 1 1 . 1 1 123 123 ARG CB C 123 30.233 30.233 29.925 0.308 18726 589 1 1 . 1 1 123 123 ARG H H 123 7.439 7.439 7.961 -0.522 18726 590 1 1 . 1 1 124 124 ARG N N 124 119.231 119.231 117.350 1.881 18726 591 1 1 . 1 1 124 124 ARG HA H 124 4.082 4.082 4.036 0.046 18726 592 1 1 . 1 1 124 124 ARG CA C 124 58.240 58.240 57.730 0.511 18726 593 1 1 . 1 1 124 124 ARG CB C 124 29.314 29.314 29.713 -0.399 18726 594 1 1 . 1 1 124 124 ARG H H 124 7.669 7.669 7.445 0.224 18726 595 1 1 . 1 1 125 125 TYR N N 125 118.650 118.650 117.525 1.125 18726 596 1 1 . 1 1 125 125 TYR HA H 125 4.567 4.567 4.717 -0.150 18726 597 1 1 . 1 1 125 125 TYR CA C 125 57.748 57.748 56.462 1.286 18726 598 1 1 . 1 1 125 125 TYR CB C 125 38.059 38.059 37.303 0.756 18726 599 1 1 . 1 1 125 125 TYR H H 125 7.606 7.606 7.546 0.060 18726 600 1 1 . 1 1 126 126 ARG N N 126 110.322 110.322 117.093 -6.771 18726 601 1 1 . 1 1 126 126 ARG HA H 126 3.789 3.789 4.100 -0.311 18726 602 1 1 . 1 1 126 126 ARG CA C 126 57.860 57.860 57.333 0.527 18726 603 1 1 . 1 1 126 126 ARG CB C 126 27.866 27.866 28.761 -0.895 18726 604 1 1 . 1 1 126 126 ARG H H 126 7.657 7.657 7.827 -0.170 18726 605 1 1 . 1 1 127 127 VAL N N 127 120.877 120.877 117.686 3.191 18726 606 1 1 . 1 1 127 127 VAL HA H 127 4.004 4.004 4.268 -0.264 18726 607 1 1 . 1 1 127 127 VAL CA C 127 62.105 62.105 60.641 1.464 18726 608 1 1 . 1 1 127 127 VAL CB C 127 31.681 31.681 31.162 0.519 18726 609 1 1 . 1 1 127 127 VAL H H 127 7.601 7.601 8.010 -0.409 18726 610 1 1 . 1 1 128 128 ASN N N 128 125.726 125.726 120.326 5.400 18726 611 1 1 . 1 1 128 128 ASN HA H 128 4.663 4.663 4.545 0.118 18726 612 1 1 . 1 1 128 128 ASN CA C 128 52.787 52.787 53.505 -0.718 18726 613 1 1 . 1 1 128 128 ASN CB C 128 39.476 39.476 39.426 0.050 18726 614 1 1 . 1 1 128 128 ASN H H 128 8.604 8.604 7.892 0.712 18726 615 1 1 . 1 1 129 129 VAL N N 129 126.963 126.963 123.784 3.179 18726 616 1 1 . 1 1 129 129 VAL HA H 129 4.286 4.286 4.363 -0.077 18726 617 1 1 . 1 1 129 129 VAL CA C 129 59.637 59.637 58.769 0.868 18726 618 1 1 . 1 1 129 129 VAL CB C 129 33.101 33.101 35.021 -1.920 18726 619 1 1 . 1 1 129 129 VAL H H 129 8.223 8.223 8.103 0.120 18726 620 1 1 . 1 1 130 130 PRO HA H 130 4.435 4.435 4.615 -0.180 18726 621 1 1 . 1 1 130 130 PRO CA C 130 63.045 63.045 62.654 0.391 18726 622 1 1 . 1 1 130 130 PRO CB C 130 32.795 32.795 32.865 -0.070 18726 623 1 1 . 1 1 131 131 GLU N N 131 125.786 125.786 124.420 1.366 18726 624 1 1 . 1 1 131 131 GLU HA H 131 3.944 3.944 3.883 0.061 18726 625 1 1 . 1 1 131 131 GLU CA C 131 60.431 60.431 59.597 0.834 18726 626 1 1 . 1 1 131 131 GLU CB C 131 29.147 29.147 29.096 0.051 18726 627 1 1 . 1 1 131 131 GLU H H 131 9.135 9.135 9.069 0.066 18726 628 1 1 . 1 1 132 132 ALA N N 132 119.640 119.640 120.150 -0.510 18726 629 1 1 . 1 1 132 132 ALA HA H 132 4.183 4.183 4.201 -0.018 18726 630 1 1 . 1 1 132 132 ALA CA C 132 55.341 55.341 54.647 0.694 18726 631 1 1 . 1 1 132 132 ALA CB C 132 18.314 18.314 18.297 0.017 18726 632 1 1 . 1 1 132 132 ALA H H 132 9.105 9.105 8.286 0.819 18726 633 1 1 . 1 1 133 133 SER N N 133 114.523 114.523 114.200 0.323 18726 634 1 1 . 1 1 133 133 SER HA H 133 4.328 4.328 4.274 0.054 18726 635 1 1 . 1 1 133 133 SER CA C 133 61.673 61.673 60.776 0.897 18726 636 1 1 . 1 1 133 133 SER CB C 133 62.621 62.621 63.836 -1.215 18726 637 1 1 . 1 1 133 133 SER H H 133 7.417 7.417 7.897 -0.480 18726 638 1 1 . 1 1 134 134 VAL N N 134 124.609 124.609 121.894 2.715 18726 639 1 1 . 1 1 134 134 VAL HA H 134 3.495 3.495 3.701 -0.206 18726 640 1 1 . 1 1 134 134 VAL CA C 134 66.867 66.867 66.080 0.787 18726 641 1 1 . 1 1 134 134 VAL CB C 134 31.514 31.514 31.184 0.330 18726 642 1 1 . 1 1 134 134 VAL H H 134 7.731 7.731 7.966 -0.235 18726 643 1 1 . 1 1 135 135 GLN N N 135 118.590 118.590 118.926 -0.336 18726 644 1 1 . 1 1 135 135 GLN HA H 135 3.932 3.932 3.920 0.012 18726 645 1 1 . 1 1 135 135 GLN CA C 135 59.154 59.154 59.123 0.031 18726 646 1 1 . 1 1 135 135 GLN CB C 135 27.810 27.810 27.427 0.383 18726 647 1 1 . 1 1 135 135 GLN H H 135 8.247 8.247 8.258 -0.011 18726 648 1 1 . 1 1 136 136 ALA N N 136 121.867 121.867 121.541 0.326 18726 649 1 1 . 1 1 136 136 ALA HA H 136 4.184 4.184 4.076 0.108 18726 650 1 1 . 1 1 136 136 ALA CA C 136 55.229 55.229 54.901 0.327 18726 651 1 1 . 1 1 136 136 ALA CB C 136 17.924 17.924 17.634 0.290 18726 652 1 1 . 1 1 136 136 ALA H H 136 7.617 7.617 7.703 -0.086 18726 653 1 1 . 1 1 137 137 ASP N N 137 121.450 121.450 119.134 2.316 18726 654 1 1 . 1 1 137 137 ASP HA H 137 4.423 4.423 4.418 0.005 18726 655 1 1 . 1 1 137 137 ASP CA C 137 57.480 57.480 57.354 0.126 18726 656 1 1 . 1 1 137 137 ASP CB C 137 41.735 41.735 40.228 1.507 18726 657 1 1 . 1 1 137 137 ASP H H 137 8.097 8.097 7.431 0.666 18726 658 1 1 . 1 1 138 138 VAL N N 138 121.018 121.018 119.681 1.337 18726 659 1 1 . 1 1 138 138 VAL HA H 138 3.543 3.543 3.684 -0.141 18726 660 1 1 . 1 1 138 138 VAL CA C 138 67.644 67.644 66.647 0.997 18726 661 1 1 . 1 1 138 138 VAL CB C 138 31.625 31.625 31.382 0.243 18726 662 1 1 . 1 1 138 138 VAL H H 138 8.630 8.630 8.117 0.513 18726 663 1 1 . 1 1 139 139 SER N N 139 117.279 117.279 116.297 0.982 18726 664 1 1 . 1 1 139 139 SER HA H 139 4.087 4.087 4.363 -0.276 18726 665 1 1 . 1 1 139 139 SER CA C 139 62.191 62.191 62.214 -0.023 18726 666 1 1 . 1 1 139 139 SER CB C 139 62.996 62.996 63.319 -0.323 18726 667 1 1 . 1 1 139 139 SER H H 139 8.146 8.146 8.045 0.101 18726 668 1 1 . 1 1 140 140 LEU N N 140 123.402 123.402 122.632 0.770 18726 669 1 1 . 1 1 140 140 LEU HA H 140 4.184 4.184 4.221 -0.037 18726 670 1 1 . 1 1 140 140 LEU CA C 140 59.025 59.025 58.141 0.884 18726 671 1 1 . 1 1 140 140 LEU CB C 140 42.459 42.459 42.083 0.376 18726 672 1 1 . 1 1 140 140 LEU H H 140 8.283 8.283 7.890 0.393 18726 673 1 1 . 1 1 141 141 VAL N N 141 112.944 112.944 115.687 -2.743 18726 674 1 1 . 1 1 141 141 VAL HA H 141 3.956 3.956 3.715 0.241 18726 675 1 1 . 1 1 141 141 VAL CA C 141 66.169 66.169 66.182 -0.013 18726 676 1 1 . 1 1 141 141 VAL CB C 141 30.762 30.762 30.582 0.180 18726 677 1 1 . 1 1 141 141 VAL H H 141 8.969 8.969 8.204 0.765 18726 678 1 1 . 1 1 142 142 THR N N 142 114.612 114.612 113.864 0.748 18726 679 1 1 . 1 1 142 142 THR HA H 142 4.160 4.160 4.041 0.119 18726 680 1 1 . 1 1 142 142 THR CA C 142 65.668 65.668 66.352 -0.684 18726 681 1 1 . 1 1 142 142 THR CB C 142 68.804 68.804 68.244 0.560 18726 682 1 1 . 1 1 142 142 THR H H 142 8.134 8.134 7.952 0.182 18726 683 1 1 . 1 1 143 143 SER N N 143 120.124 120.124 117.665 2.459 18726 684 1 1 . 1 1 143 143 SER HA H 143 4.292 4.292 4.091 0.201 18726 685 1 1 . 1 1 143 143 SER CA C 143 62.079 62.079 61.430 0.649 18726 686 1 1 . 1 1 143 143 SER CB C 143 62.928 62.928 62.941 -0.013 18726 687 1 1 . 1 1 143 143 SER H H 143 8.014 8.014 8.085 -0.071 18726 688 1 1 . 1 1 144 144 MET N N 144 119.335 119.335 118.520 0.815 18726 689 1 1 . 1 1 144 144 MET HA H 144 4.226 4.226 4.262 -0.036 18726 690 1 1 . 1 1 144 144 MET CA C 144 59.189 59.189 58.797 0.392 18726 691 1 1 . 1 1 144 144 MET CB C 144 33.826 33.826 32.515 1.311 18726 692 1 1 . 1 1 144 144 MET H H 144 8.172 8.172 7.785 0.387 18726 693 1 1 . 1 1 145 145 THR N N 145 107.737 107.737 113.349 -5.612 18726 694 1 1 . 1 1 145 145 THR HA H 145 4.052 4.052 4.116 -0.064 18726 695 1 1 . 1 1 145 145 THR CA C 145 64.659 64.659 65.705 -1.046 18726 696 1 1 . 1 1 145 145 THR CB C 145 69.138 69.138 68.655 0.483 18726 697 1 1 . 1 1 145 145 THR H H 145 7.985 7.985 7.775 0.210 18726 698 1 1 . 1 1 146 146 SER N N 146 113.986 113.986 116.909 -2.923 18726 699 1 1 . 1 1 146 146 SER HA H 146 4.393 4.393 4.201 0.192 18726 700 1 1 . 1 1 146 146 SER CA C 146 60.975 60.975 61.788 -0.813 18726 701 1 1 . 1 1 146 146 SER CB C 146 63.847 63.847 63.462 0.385 18726 702 1 1 . 1 1 146 146 SER H H 146 7.802 7.802 8.300 -0.498 18726 703 1 1 . 1 1 147 147 THR N N 147 109.308 109.308 110.210 -0.902 18726 704 1 1 . 1 1 147 147 THR HA H 147 4.405 4.405 4.526 -0.121 18726 705 1 1 . 1 1 147 147 THR CA C 147 61.259 61.259 60.154 1.105 18726 706 1 1 . 1 1 147 147 THR CB C 147 69.556 69.556 69.342 0.214 18726 707 1 1 . 1 1 147 147 THR H H 147 7.206 7.206 7.321 -0.115 18726 708 1 1 . 1 1 148 148 PHE N N 148 122.746 122.746 124.556 -1.810 18726 709 1 1 . 1 1 148 148 PHE HA H 148 4.441 4.441 4.654 -0.213 18726 710 1 1 . 1 1 148 148 PHE CA C 148 58.913 58.913 57.998 0.915 18726 711 1 1 . 1 1 148 148 PHE CB C 148 39.952 39.952 39.814 0.138 18726 712 1 1 . 1 1 148 148 PHE H H 148 7.299 7.299 8.307 -1.008 18726 713 1 1 . 1 1 149 149 VAL N N 149 124.892 124.892 128.725 -3.833 18726 714 1 1 . 1 1 149 149 VAL HA H 149 3.938 3.938 3.998 -0.060 18726 715 1 1 . 1 1 149 149 VAL CA C 149 61.233 61.233 60.380 0.853 18726 716 1 1 . 1 1 149 149 VAL CB C 149 34.410 34.410 33.674 0.736 18726 717 1 1 . 1 1 149 149 VAL H H 149 7.759 7.759 8.216 -0.457 18726 718 1 1 . 1 1 150 150 ILE N N 150 124.892 124.892 128.155 -3.263 18726 719 1 1 . 1 1 150 150 ILE HA H 150 4.015 4.015 4.016 -0.001 18726 720 1 1 . 1 1 150 150 ILE CA C 150 60.655 60.655 61.127 -0.472 18726 721 1 1 . 1 1 150 150 ILE CB C 150 38.755 38.755 37.417 1.338 18726 722 1 1 . 1 1 150 150 ILE H H 150 8.120 8.120 8.331 -0.210 18726 723 1 1 . 1 1 151 151 SER N N 151 121.942 121.942 125.167 -3.225 18726 724 1 1 . 1 1 151 151 SER HA H 151 4.483 4.483 4.388 0.095 18726 725 1 1 . 1 1 151 151 SER CA C 151 58.136 58.136 58.319 -0.182 18726 726 1 1 . 1 1 151 151 SER CB C 151 64.264 64.264 62.103 2.160 18726 727 1 1 . 1 1 151 151 SER H H 151 8.746 8.746 8.705 0.041 18726 728 1 1 . 1 1 152 152 SER HA H 152 4.453 4.453 4.936 -0.483 18726 729 1 1 . 1 1 152 152 SER CA C 152 58.481 58.481 56.435 2.046 18726 730 1 1 . 1 1 152 152 SER CB C 152 64.188 64.188 65.299 -1.111 18726 731 1 1 . 1 1 153 153 GLN N N 153 122.081 122.081 125.649 -3.568 18726 732 1 1 . 1 1 153 153 GLN HA H 153 4.325 4.325 3.966 0.359 18726 733 1 1 . 1 1 153 153 GLN CA C 153 56.104 56.104 58.576 -2.472 18726 734 1 1 . 1 1 153 153 GLN CB C 153 29.322 29.322 28.860 0.462 18726 735 1 1 . 1 1 153 153 GLN H H 153 8.404 8.404 8.786 -0.382 18726 736 1 1 . 1 1 154 154 THR HA H 154 4.345 4.345 4.374 -0.029 18726 737 1 1 . 1 1 154 154 THR CA C 154 62.036 62.036 61.270 0.766 18726 738 1 1 . 1 1 154 154 THR CB C 154 69.806 69.806 67.341 2.465 18726 739 1 1 . 1 1 155 155 SER N N 155 118.158 118.158 119.213 -1.055 18726 740 1 1 . 1 1 155 155 SER HA H 155 4.465 4.465 4.553 -0.088 18726 741 1 1 . 1 1 155 155 SER CA C 155 58.447 58.447 57.755 0.692 18726 742 1 1 . 1 1 155 155 SER CB C 155 64.069 64.069 63.668 0.401 18726 743 1 1 . 1 1 155 155 SER H H 155 8.275 8.275 8.042 0.233 18726 744 1 1 . 1 1 156 156 VAL N N 156 121.614 121.614 123.742 -2.128 18726 745 1 1 . 1 1 156 156 VAL HA H 156 4.094 4.094 4.191 -0.097 18726 746 1 1 . 1 1 156 156 VAL CA C 156 62.553 62.553 62.382 0.171 18726 747 1 1 . 1 1 156 156 VAL CB C 156 32.823 32.823 32.540 0.283 18726 748 1 1 . 1 1 156 156 VAL H H 156 8.103 8.103 7.963 0.140 18726 749 1 1 . 1 1 157 157 GLN N N 157 123.938 123.938 128.660 -4.722 18726 750 1 1 . 1 1 157 157 GLN HA H 157 4.310 4.310 4.417 -0.107 18726 751 1 1 . 1 1 157 157 GLN CA C 157 55.867 55.867 55.385 0.482 18726 752 1 1 . 1 1 157 157 GLN CB C 157 29.370 29.370 29.061 0.309 18726 753 1 1 . 1 1 157 157 GLN H H 157 8.371 8.371 8.852 -0.481 18726 754 1 1 . 1 1 158 158 MET N N 158 122.300 122.300 118.718 3.582 18726 755 1 1 . 1 1 158 158 MET HA H 158 4.470 4.470 4.250 0.220 18726 756 1 1 . 1 1 158 158 MET CA C 158 55.720 55.720 55.406 0.314 18726 757 1 1 . 1 1 158 158 MET CB C 158 32.959 32.959 32.148 0.811 18726 758 1 1 . 1 1 158 158 MET H H 158 8.425 8.425 8.123 0.302 18726 759 1 1 . 1 1 159 159 GLY N N 159 110.605 110.605 109.781 0.824 18726 760 1 1 . 1 1 159 159 GLY CA C 159 45.689 45.689 45.281 0.408 18726 761 1 1 . 1 1 159 159 GLY H H 159 8.396 8.396 8.286 0.110 18726 762 1 2 . 1 1 1 1 SER HA H 1 4.417 4.417 3.933 0.484 18726 763 1 2 . 1 1 1 1 SER CA C 1 58.904 58.904 58.824 0.080 18726 764 1 2 . 1 1 1 1 SER CB C 1 64.069 64.069 61.979 2.090 18726 765 1 2 . 1 1 2 2 GLY N N 2 110.955 110.955 106.123 4.832 18726 766 1 2 . 1 1 2 2 GLY CA C 2 45.689 45.689 45.065 0.624 18726 767 1 2 . 1 1 2 2 GLY H H 2 8.620 8.620 8.995 -0.375 18726 768 1 2 . 1 1 3 3 SER N N 3 116.638 116.638 114.054 2.584 18726 769 1 2 . 1 1 3 3 SER HA H 3 4.495 4.495 4.098 0.397 18726 770 1 2 . 1 1 3 3 SER CA C 3 58.386 58.386 58.228 0.158 18726 771 1 2 . 1 1 3 3 SER CB C 3 64.877 64.877 62.399 2.478 18726 772 1 2 . 1 1 3 3 SER H H 3 8.459 8.459 8.071 0.388 18726 773 1 2 . 1 1 4 4 LEU N N 4 123.760 123.760 124.971 -1.211 18726 774 1 2 . 1 1 4 4 LEU HA H 4 4.094 4.094 4.268 -0.174 18726 775 1 2 . 1 1 4 4 LEU CA C 4 58.973 58.973 57.942 1.031 18726 776 1 2 . 1 1 4 4 LEU CB C 4 41.594 41.594 42.043 -0.449 18726 777 1 2 . 1 1 4 4 LEU H H 4 8.700 8.700 8.921 -0.221 18726 778 1 2 . 1 1 5 5 GLY N N 5 126.963 126.963 104.453 22.510 18726 779 1 2 . 1 1 5 5 GLY CA C 5 46.887 46.887 47.138 -0.251 18726 780 1 2 . 1 1 5 5 GLY H H 5 8.814 8.814 8.533 0.281 18726 781 1 2 . 1 1 6 6 ASP N N 6 125.167 125.167 123.503 1.664 18726 782 1 2 . 1 1 6 6 ASP HA H 6 4.369 4.369 4.604 -0.235 18726 783 1 2 . 1 1 6 6 ASP CA C 6 57.972 57.972 56.835 1.137 18726 784 1 2 . 1 1 6 6 ASP CB C 6 40.957 40.957 40.583 0.374 18726 785 1 2 . 1 1 6 6 ASP H H 6 8.119 8.119 8.085 0.034 18726 786 1 2 . 1 1 7 7 GLN N N 7 119.521 119.521 120.104 -0.583 18726 787 1 2 . 1 1 7 7 GLN HA H 7 4.160 4.160 4.021 0.139 18726 788 1 2 . 1 1 7 7 GLN CA C 7 59.404 59.404 59.011 0.393 18726 789 1 2 . 1 1 7 7 GLN CB C 7 29.199 29.199 29.049 0.150 18726 790 1 2 . 1 1 7 7 GLN H H 7 8.398 8.398 8.116 0.282 18726 791 1 2 . 1 1 8 8 LEU N N 8 121.234 121.234 120.140 1.094 18726 792 1 2 . 1 1 8 8 LEU HA H 8 3.801 3.801 3.875 -0.074 18726 793 1 2 . 1 1 8 8 LEU CA C 8 57.722 57.722 58.403 -0.680 18726 794 1 2 . 1 1 8 8 LEU CB C 8 42.403 42.403 41.268 1.135 18726 795 1 2 . 1 1 8 8 LEU H H 8 9.087 9.087 8.275 0.812 18726 796 1 2 . 1 1 9 9 THR N N 9 116.094 116.094 112.231 3.863 18726 797 1 2 . 1 1 9 9 THR HA H 9 3.513 3.513 3.951 -0.438 18726 798 1 2 . 1 1 9 9 THR CA C 9 68.886 68.886 66.297 2.589 18726 799 1 2 . 1 1 9 9 THR CB C 9 67.968 67.968 68.463 -0.495 18726 800 1 2 . 1 1 9 9 THR H H 9 8.188 8.188 8.078 0.110 18726 801 1 2 . 1 1 10 10 SER N N 10 115.044 115.044 118.843 -3.799 18726 802 1 2 . 1 1 10 10 SER HA H 10 4.154 4.154 4.143 0.011 18726 803 1 2 . 1 1 10 10 SER CA C 10 61.898 61.898 62.725 -0.827 18726 804 1 2 . 1 1 10 10 SER CB C 10 62.900 62.900 62.932 -0.032 18726 805 1 2 . 1 1 10 10 SER H H 10 7.801 7.801 8.446 -0.645 18726 806 1 2 . 1 1 11 11 THR N N 11 119.022 119.022 119.382 -0.360 18726 807 1 2 . 1 1 11 11 THR HA H 11 3.920 3.920 3.944 -0.024 18726 808 1 2 . 1 1 11 11 THR CA C 11 67.747 67.747 67.015 0.732 18726 809 1 2 . 1 1 11 11 THR CB C 11 68.804 68.804 68.586 0.218 18726 810 1 2 . 1 1 11 11 THR H H 11 8.147 8.147 8.252 -0.105 18726 811 1 2 . 1 1 12 12 LEU N N 12 120.609 120.609 122.383 -1.774 18726 812 1 2 . 1 1 12 12 LEU HA H 12 3.890 3.890 3.926 -0.036 18726 813 1 2 . 1 1 12 12 LEU CA C 12 58.265 58.265 58.189 0.076 18726 814 1 2 . 1 1 12 12 LEU CB C 12 42.598 42.598 41.540 1.058 18726 815 1 2 . 1 1 12 12 LEU H H 12 8.368 8.368 8.442 -0.074 18726 816 1 2 . 1 1 13 13 ALA N N 13 119.231 119.231 120.388 -1.157 18726 817 1 2 . 1 1 13 13 ALA HA H 13 3.816 3.816 3.989 -0.173 18726 818 1 2 . 1 1 13 13 ALA CA C 13 55.729 55.729 54.945 0.784 18726 819 1 2 . 1 1 13 13 ALA CB C 13 17.422 17.422 18.078 -0.656 18726 820 1 2 . 1 1 13 13 ALA H H 13 8.755 8.755 8.501 0.254 18726 821 1 2 . 1 1 14 14 SER N N 14 116.251 116.251 115.855 0.396 18726 822 1 2 . 1 1 14 14 SER HA H 14 4.052 4.052 4.087 -0.035 18726 823 1 2 . 1 1 14 14 SER CA C 14 62.079 62.079 62.335 -0.256 18726 824 1 2 . 1 1 14 14 SER CB C 14 63.111 63.111 62.964 0.147 18726 825 1 2 . 1 1 14 14 SER H H 14 8.318 8.318 7.667 0.651 18726 826 1 2 . 1 1 15 15 ALA N N 15 121.629 121.629 123.690 -2.061 18726 827 1 2 . 1 1 15 15 ALA HA H 15 4.166 4.166 4.083 0.083 18726 828 1 2 . 1 1 15 15 ALA CA C 15 54.918 54.918 54.749 0.169 18726 829 1 2 . 1 1 15 15 ALA CB C 15 18.397 18.397 18.550 -0.153 18726 830 1 2 . 1 1 15 15 ALA H H 15 7.943 7.943 8.249 -0.306 18726 831 1 2 . 1 1 16 16 LEU N N 16 112.541 112.541 118.239 -5.698 18726 832 1 2 . 1 1 16 16 LEU HA H 16 3.885 3.885 4.077 -0.192 18726 833 1 2 . 1 1 16 16 LEU CA C 16 57.731 57.731 57.063 0.668 18726 834 1 2 . 1 1 16 16 LEU CB C 16 42.208 42.208 41.573 0.635 18726 835 1 2 . 1 1 16 16 LEU H H 16 8.083 8.083 8.156 -0.073 18726 836 1 2 . 1 1 17 17 THR N N 17 116.527 116.527 113.184 3.343 18726 837 1 2 . 1 1 17 17 THR HA H 17 3.388 3.388 4.140 -0.752 18726 838 1 2 . 1 1 17 17 THR CA C 17 67.972 67.972 65.517 2.455 18726 839 1 2 . 1 1 17 17 THR CB C 17 68.860 68.860 68.996 -0.136 18726 840 1 2 . 1 1 17 17 THR H H 17 8.044 8.044 7.756 0.288 18726 841 1 2 . 1 1 18 18 LYS N N 18 115.841 115.841 118.125 -2.284 18726 842 1 2 . 1 1 18 18 LYS HA H 18 4.142 4.142 4.543 -0.401 18726 843 1 2 . 1 1 18 18 LYS CA C 18 56.859 56.859 55.123 1.736 18726 844 1 2 . 1 1 18 18 LYS CB C 18 34.271 34.271 32.763 1.508 18726 845 1 2 . 1 1 18 18 LYS H H 18 6.810 6.810 7.464 -0.654 18726 846 1 2 . 1 1 19 19 THR N N 19 108.482 108.482 113.914 -5.432 18726 847 1 2 . 1 1 19 19 THR HA H 19 4.088 4.088 4.872 -0.784 18726 848 1 2 . 1 1 19 19 THR CA C 19 61.656 61.656 60.110 1.546 18726 849 1 2 . 1 1 19 19 THR CB C 19 70.168 70.168 71.659 -1.491 18726 850 1 2 . 1 1 19 19 THR H H 19 7.419 7.419 7.291 0.128 18726 851 1 2 . 1 1 20 20 ASN N N 20 126.031 126.031 125.313 0.718 18726 852 1 2 . 1 1 20 20 ASN HA H 20 4.304 4.304 4.335 -0.031 18726 853 1 2 . 1 1 20 20 ASN CA C 20 57.247 57.247 56.708 0.540 18726 854 1 2 . 1 1 20 20 ASN CB C 20 39.033 39.033 37.789 1.244 18726 855 1 2 . 1 1 20 20 ASN H H 20 11.715 11.715 9.095 2.620 18726 856 1 2 . 1 1 21 21 THR N N 21 119.223 119.223 116.552 2.671 18726 857 1 2 . 1 1 21 21 THR HA H 21 3.723 3.723 4.097 -0.374 18726 858 1 2 . 1 1 21 21 THR CA C 21 68.803 68.803 65.902 2.901 18726 859 1 2 . 1 1 21 21 THR CB C 21 70.168 70.168 68.811 1.357 18726 860 1 2 . 1 1 21 21 THR H H 21 10.495 10.495 9.037 1.458 18726 861 1 2 . 1 1 22 22 LEU N N 22 119.484 119.484 120.407 -0.923 18726 862 1 2 . 1 1 22 22 LEU HA H 22 3.920 3.920 4.434 -0.514 18726 863 1 2 . 1 1 22 22 LEU CA C 22 57.360 57.360 56.346 1.014 18726 864 1 2 . 1 1 22 22 LEU CB C 22 40.983 40.983 42.107 -1.124 18726 865 1 2 . 1 1 22 22 LEU H H 22 7.908 7.908 8.307 -0.399 18726 866 1 2 . 1 1 23 23 LYS N N 23 121.033 121.033 120.242 0.791 18726 867 1 2 . 1 1 23 23 LYS HA H 23 3.843 3.843 3.938 -0.095 18726 868 1 2 . 1 1 23 23 LYS CA C 23 61.078 61.078 60.079 0.999 18726 869 1 2 . 1 1 23 23 LYS CB C 23 32.210 32.210 32.441 -0.231 18726 870 1 2 . 1 1 23 23 LYS H H 23 7.968 7.968 8.536 -0.568 18726 871 1 2 . 1 1 24 24 ALA N N 24 121.376 121.376 121.707 -0.331 18726 872 1 2 . 1 1 24 24 ALA HA H 24 4.118 4.118 4.164 -0.046 18726 873 1 2 . 1 1 24 24 ALA CA C 24 54.892 54.892 55.456 -0.564 18726 874 1 2 . 1 1 24 24 ALA CB C 24 18.564 18.564 18.286 0.278 18726 875 1 2 . 1 1 24 24 ALA H H 24 8.239 8.239 8.371 -0.132 18726 876 1 2 . 1 1 25 25 VAL N N 25 118.009 118.009 114.966 3.043 18726 877 1 2 . 1 1 25 25 VAL HA H 25 3.244 3.244 3.661 -0.417 18726 878 1 2 . 1 1 25 25 VAL CA C 25 67.420 67.420 65.504 1.916 18726 879 1 2 . 1 1 25 25 VAL CB C 25 31.904 31.904 31.018 0.886 18726 880 1 2 . 1 1 25 25 VAL H H 25 7.972 7.972 7.542 0.430 18726 881 1 2 . 1 1 26 26 SER N N 26 113.107 113.107 116.769 -3.662 18726 882 1 2 . 1 1 26 26 SER HA H 26 3.645 3.645 3.926 -0.281 18726 883 1 2 . 1 1 26 26 SER CA C 26 62.157 62.157 61.370 0.787 18726 884 1 2 . 1 1 26 26 SER CB C 26 63.206 63.206 63.190 0.016 18726 885 1 2 . 1 1 26 26 SER H H 26 8.092 8.092 8.138 -0.046 18726 886 1 2 . 1 1 27 27 ALA N N 27 122.069 122.069 123.377 -1.308 18726 887 1 2 . 1 1 27 27 ALA HA H 27 4.178 4.178 4.206 -0.028 18726 888 1 2 . 1 1 27 27 ALA CA C 27 54.504 54.504 54.352 0.152 18726 889 1 2 . 1 1 27 27 ALA CB C 27 18.676 18.676 18.220 0.456 18726 890 1 2 . 1 1 27 27 ALA H H 27 8.224 8.224 7.737 0.487 18726 891 1 2 . 1 1 28 28 SER N N 28 111.990 111.990 113.583 -1.593 18726 892 1 2 . 1 1 28 28 SER HA H 28 4.298 4.298 4.294 0.004 18726 893 1 2 . 1 1 28 28 SER CA C 28 60.051 60.051 58.909 1.142 18726 894 1 2 . 1 1 28 28 SER CB C 28 64.376 64.376 63.456 0.920 18726 895 1 2 . 1 1 28 28 SER H H 28 7.441 7.441 7.633 -0.192 18726 896 1 2 . 1 1 29 29 LYS N N 29 116.653 116.653 120.138 -3.485 18726 897 1 2 . 1 1 29 29 LYS HA H 29 4.010 4.010 4.090 -0.080 18726 898 1 2 . 1 1 29 29 LYS CA C 29 56.859 56.859 56.559 0.300 18726 899 1 2 . 1 1 29 29 LYS CB C 29 30.957 30.957 31.303 -0.346 18726 900 1 2 . 1 1 29 29 LYS H H 29 7.725 7.725 7.556 0.169 18726 901 1 2 . 1 1 30 30 PRO HA H 30 4.501 4.501 4.382 0.119 18726 902 1 2 . 1 1 30 30 PRO CA C 30 62.709 62.709 63.919 -1.210 18726 903 1 2 . 1 1 30 30 PRO CB C 30 30.906 30.906 32.212 -1.306 18726 904 1 2 . 1 1 31 31 SER N N 31 115.595 115.595 111.126 4.469 18726 905 1 2 . 1 1 31 31 SER HA H 31 4.286 4.286 4.480 -0.194 18726 906 1 2 . 1 1 31 31 SER CA C 31 57.739 57.739 57.480 0.259 18726 907 1 2 . 1 1 31 31 SER CB C 31 64.515 64.515 64.241 0.274 18726 908 1 2 . 1 1 31 31 SER H H 31 8.349 8.349 7.846 0.503 18726 909 1 2 . 1 1 32 32 ALA N N 32 124.266 124.266 125.888 -1.622 18726 910 1 2 . 1 1 32 32 ALA HA H 32 4.351 4.351 4.084 0.267 18726 911 1 2 . 1 1 32 32 ALA CA C 32 55.772 55.772 54.644 1.128 18726 912 1 2 . 1 1 32 32 ALA CB C 32 18.954 18.954 18.773 0.181 18726 913 1 2 . 1 1 32 32 ALA H H 32 9.039 9.039 8.865 0.174 18726 914 1 2 . 1 1 33 33 ASN N N 33 111.722 111.722 116.518 -4.796 18726 915 1 2 . 1 1 33 33 ASN HA H 33 4.274 4.274 4.480 -0.206 18726 916 1 2 . 1 1 33 33 ASN CA C 33 56.402 56.402 56.054 0.347 18726 917 1 2 . 1 1 33 33 ASN CB C 33 37.780 37.780 37.786 -0.007 18726 918 1 2 . 1 1 33 33 ASN H H 33 8.301 8.301 8.645 -0.344 18726 919 1 2 . 1 1 34 34 VAL N N 34 123.804 123.804 119.172 4.632 18726 920 1 2 . 1 1 34 34 VAL HA H 34 3.166 3.166 3.679 -0.513 18726 921 1 2 . 1 1 34 34 VAL CA C 34 66.634 66.634 64.199 2.435 18726 922 1 2 . 1 1 34 34 VAL CB C 34 31.347 31.347 31.529 -0.182 18726 923 1 2 . 1 1 34 34 VAL H H 34 7.376 7.376 7.466 -0.090 18726 924 1 2 . 1 1 35 35 ALA N N 35 122.314 122.314 122.922 -0.608 18726 925 1 2 . 1 1 35 35 ALA HA H 35 3.591 3.591 3.803 -0.212 18726 926 1 2 . 1 1 35 35 ALA CA C 35 56.255 56.255 55.434 0.820 18726 927 1 2 . 1 1 35 35 ALA CB C 35 18.063 18.063 18.250 -0.187 18726 928 1 2 . 1 1 35 35 ALA H H 35 8.558 8.558 8.537 0.021 18726 929 1 2 . 1 1 36 36 VAL N N 36 115.595 115.595 117.866 -2.271 18726 930 1 2 . 1 1 36 36 VAL HA H 36 3.316 3.316 3.637 -0.321 18726 931 1 2 . 1 1 36 36 VAL CA C 36 67.756 67.756 66.592 1.164 18726 932 1 2 . 1 1 36 36 VAL CB C 36 32.099 32.099 31.119 0.980 18726 933 1 2 . 1 1 36 36 VAL H H 36 8.507 8.507 7.589 0.918 18726 934 1 2 . 1 1 37 37 ALA N N 37 126.247 126.247 123.850 2.397 18726 935 1 2 . 1 1 37 37 ALA HA H 37 4.040 4.040 4.219 -0.179 18726 936 1 2 . 1 1 37 37 ALA CA C 37 56.048 56.048 54.974 1.074 18726 937 1 2 . 1 1 37 37 ALA CB C 37 18.091 18.091 18.603 -0.512 18726 938 1 2 . 1 1 37 37 ALA H H 37 7.801 7.801 7.343 0.458 18726 939 1 2 . 1 1 38 38 ILE N N 38 118.344 118.344 119.149 -0.805 18726 940 1 2 . 1 1 38 38 ILE HA H 38 3.561 3.561 3.831 -0.270 18726 941 1 2 . 1 1 38 38 ILE CA C 38 66.263 66.263 65.449 0.814 18726 942 1 2 . 1 1 38 38 ILE CB C 38 39.395 39.395 38.095 1.300 18726 943 1 2 . 1 1 38 38 ILE H H 38 8.305 8.305 8.134 0.171 18726 944 1 2 . 1 1 39 39 VAL N N 39 117.264 117.264 120.520 -3.256 18726 945 1 2 . 1 1 39 39 VAL HA H 39 3.573 3.573 3.733 -0.160 18726 946 1 2 . 1 1 39 39 VAL CA C 39 67.074 67.074 65.934 1.139 18726 947 1 2 . 1 1 39 39 VAL CB C 39 32.127 32.127 31.921 0.206 18726 948 1 2 . 1 1 39 39 VAL H H 39 8.331 8.331 8.199 0.132 18726 949 1 2 . 1 1 40 40 THR N N 40 112.303 112.303 115.035 -2.732 18726 950 1 2 . 1 1 40 40 THR HA H 40 3.831 3.831 3.918 -0.087 18726 951 1 2 . 1 1 40 40 THR CA C 40 67.152 67.152 66.655 0.497 18726 952 1 2 . 1 1 40 40 THR CB C 40 68.776 68.776 68.454 0.322 18726 953 1 2 . 1 1 40 40 THR H H 40 9.029 9.029 8.456 0.573 18726 954 1 2 . 1 1 41 41 SER N N 41 117.085 117.085 118.941 -1.856 18726 955 1 2 . 1 1 41 41 SER HA H 41 4.274 4.274 4.112 0.162 18726 956 1 2 . 1 1 41 41 SER CA C 41 62.182 62.182 62.703 -0.521 18726 957 1 2 . 1 1 41 41 SER CB C 41 63.067 63.067 62.689 0.378 18726 958 1 2 . 1 1 41 41 SER H H 41 7.599 7.599 7.838 -0.239 18726 959 1 2 . 1 1 42 42 GLY N N 42 107.258 107.258 109.443 -2.185 18726 960 1 2 . 1 1 42 42 GLY CA C 42 47.917 47.917 46.686 1.231 18726 961 1 2 . 1 1 42 42 GLY H H 42 7.599 7.599 7.572 0.027 18726 962 1 2 . 1 1 43 43 LEU N N 43 122.262 122.262 123.006 -0.744 18726 963 1 2 . 1 1 43 43 LEU HA H 43 3.914 3.914 3.896 0.018 18726 964 1 2 . 1 1 43 43 LEU CA C 43 57.782 57.782 57.946 -0.164 18726 965 1 2 . 1 1 43 43 LEU CB C 43 42.876 42.876 41.762 1.114 18726 966 1 2 . 1 1 43 43 LEU H H 43 8.595 8.595 8.462 0.133 18726 967 1 2 . 1 1 44 44 LYS N N 44 118.851 118.851 119.144 -0.293 18726 968 1 2 . 1 1 44 44 LYS HA H 44 3.855 3.855 4.110 -0.255 18726 969 1 2 . 1 1 44 44 LYS CA C 44 60.604 60.604 58.935 1.669 18726 970 1 2 . 1 1 44 44 LYS CB C 44 32.322 32.322 31.841 0.481 18726 971 1 2 . 1 1 44 44 LYS H H 44 8.589 8.589 8.428 0.161 18726 972 1 2 . 1 1 45 45 LYS N N 45 118.322 118.322 119.918 -1.596 18726 973 1 2 . 1 1 45 45 LYS HA H 45 4.160 4.160 4.035 0.125 18726 974 1 2 . 1 1 45 45 LYS CA C 45 58.326 58.326 59.098 -0.772 18726 975 1 2 . 1 1 45 45 LYS CB C 45 32.492 32.492 32.147 0.345 18726 976 1 2 . 1 1 45 45 LYS H H 45 7.189 7.189 7.678 -0.489 18726 977 1 2 . 1 1 46 46 ALA N N 46 121.301 121.301 122.365 -1.064 18726 978 1 2 . 1 1 46 46 ALA HA H 46 3.831 3.831 4.088 -0.257 18726 979 1 2 . 1 1 46 46 ALA CA C 46 55.539 55.539 55.101 0.438 18726 980 1 2 . 1 1 46 46 ALA CB C 46 20.152 20.152 18.502 1.650 18726 981 1 2 . 1 1 46 46 ALA H H 46 8.060 8.060 8.265 -0.205 18726 982 1 2 . 1 1 47 47 LEU N N 47 116.206 116.206 117.295 -1.089 18726 983 1 2 . 1 1 47 47 LEU HA H 47 3.902 3.902 3.999 -0.097 18726 984 1 2 . 1 1 47 47 LEU CA C 47 57.929 57.929 57.464 0.466 18726 985 1 2 . 1 1 47 47 LEU CB C 47 40.426 40.426 41.601 -1.175 18726 986 1 2 . 1 1 47 47 LEU H H 47 9.045 9.045 8.290 0.755 18726 987 1 2 . 1 1 48 48 GLY N N 48 106.001 106.001 106.678 -0.677 18726 988 1 2 . 1 1 48 48 GLY CA C 48 46.859 46.859 46.750 0.109 18726 989 1 2 . 1 1 48 48 GLY H H 48 7.739 7.739 8.195 -0.456 18726 990 1 2 . 1 1 49 49 ALA N N 49 125.570 125.570 124.097 1.473 18726 991 1 2 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.358 -0.180 18726 992 1 2 . 1 1 49 49 ALA CA C 49 54.573 54.573 53.793 0.780 18726 993 1 2 . 1 1 49 49 ALA CB C 49 18.369 18.369 18.830 -0.461 18726 994 1 2 . 1 1 49 49 ALA H H 49 7.763 7.763 8.202 -0.439 18726 995 1 2 . 1 1 50 50 LEU N N 50 116.176 116.176 115.912 0.264 18726 996 1 2 . 1 1 50 50 LEU HA H 50 4.178 4.178 4.336 -0.158 18726 997 1 2 . 1 1 50 50 LEU CA C 50 54.961 54.961 53.735 1.226 18726 998 1 2 . 1 1 50 50 LEU CB C 50 44.213 44.213 42.014 2.199 18726 999 1 2 . 1 1 50 50 LEU H H 50 7.519 7.519 7.454 0.065 18726 1000 1 2 . 1 1 51 51 ARG N N 51 115.327 115.327 115.475 -0.148 18726 1001 1 2 . 1 1 51 51 ARG HA H 51 3.920 3.920 3.909 0.011 18726 1002 1 2 . 1 1 51 51 ARG CA C 51 56.894 56.894 57.012 -0.118 18726 1003 1 2 . 1 1 51 51 ARG CB C 51 27.559 27.559 27.396 0.163 18726 1004 1 2 . 1 1 51 51 ARG H H 51 7.782 7.782 7.404 0.378 18726 1005 1 2 . 1 1 52 52 ILE N N 52 118.612 118.612 118.038 0.574 18726 1006 1 2 . 1 1 52 52 ILE HA H 52 4.052 4.052 3.957 0.095 18726 1007 1 2 . 1 1 52 52 ILE CA C 52 59.465 59.465 60.225 -0.760 18726 1008 1 2 . 1 1 52 52 ILE CB C 52 36.778 36.778 37.594 -0.816 18726 1009 1 2 . 1 1 52 52 ILE H H 52 7.381 7.381 7.932 -0.551 18726 1010 1 2 . 1 1 53 53 ASN N N 53 124.728 124.728 125.307 -0.579 18726 1011 1 2 . 1 1 53 53 ASN HA H 53 4.435 4.435 4.476 -0.041 18726 1012 1 2 . 1 1 53 53 ASN CA C 53 54.219 54.219 53.935 0.284 18726 1013 1 2 . 1 1 53 53 ASN CB C 53 39.897 39.897 39.984 -0.087 18726 1014 1 2 . 1 1 53 53 ASN H H 53 8.503 8.503 8.599 -0.096 18726 1015 1 2 . 1 1 54 54 ALA HA H 54 4.064 4.064 4.098 -0.034 18726 1016 1 2 . 1 1 54 54 ALA CA C 54 55.772 55.772 54.930 0.842 18726 1017 1 2 . 1 1 54 54 ALA CB C 54 18.926 18.926 18.985 -0.059 18726 1018 1 2 . 1 1 55 55 GLY N N 55 108.675 108.675 107.195 1.480 18726 1019 1 2 . 1 1 55 55 GLY CA C 55 47.165 47.165 47.153 0.012 18726 1020 1 2 . 1 1 55 55 GLY H H 55 8.479 8.479 8.786 -0.307 18726 1021 1 2 . 1 1 56 56 VAL N N 56 124.251 124.251 120.902 3.349 18726 1022 1 2 . 1 1 56 56 VAL HA H 56 3.687 3.687 3.867 -0.180 18726 1023 1 2 . 1 1 56 56 VAL CA C 56 66.160 66.160 64.052 2.108 18726 1024 1 2 . 1 1 56 56 VAL CB C 56 31.598 31.598 31.612 -0.014 18726 1025 1 2 . 1 1 56 56 VAL H H 56 8.035 8.035 7.588 0.447 18726 1026 1 2 . 1 1 57 57 SER N N 57 115.290 115.290 114.842 0.448 18726 1027 1 2 . 1 1 57 57 SER HA H 57 3.992 3.992 4.185 -0.193 18726 1028 1 2 . 1 1 57 57 SER CA C 57 62.881 62.881 61.666 1.215 18726 1029 1 2 . 1 1 57 57 SER CB C 57 62.733 62.733 62.615 0.118 18726 1030 1 2 . 1 1 57 57 SER H H 57 8.551 8.551 8.503 0.048 18726 1031 1 2 . 1 1 58 58 SER N N 58 117.711 117.711 118.333 -0.622 18726 1032 1 2 . 1 1 58 58 SER HA H 58 4.238 4.238 4.347 -0.109 18726 1033 1 2 . 1 1 58 58 SER CA C 58 61.656 61.656 60.850 0.806 18726 1034 1 2 . 1 1 58 58 SER CB C 58 62.800 62.800 63.232 -0.432 18726 1035 1 2 . 1 1 58 58 SER H H 58 8.176 8.176 7.921 0.255 18726 1036 1 2 . 1 1 59 59 GLN N N 59 122.746 122.746 121.245 1.501 18726 1037 1 2 . 1 1 59 59 GLN HA H 59 4.046 4.046 4.141 -0.095 18726 1038 1 2 . 1 1 59 59 GLN CA C 59 59.249 59.249 58.331 0.918 18726 1039 1 2 . 1 1 59 59 GLN CB C 59 28.980 28.980 28.469 0.511 18726 1040 1 2 . 1 1 59 59 GLN H H 59 7.737 7.737 7.614 0.123 18726 1041 1 2 . 1 1 60 60 LEU N N 60 121.748 121.748 121.765 -0.017 18726 1042 1 2 . 1 1 60 60 LEU HA H 60 3.980 3.980 4.105 -0.125 18726 1043 1 2 . 1 1 60 60 LEU CA C 60 60.483 60.483 58.382 2.101 18726 1044 1 2 . 1 1 60 60 LEU CB C 60 43.378 43.378 42.154 1.224 18726 1045 1 2 . 1 1 60 60 LEU H H 60 8.804 8.804 8.461 0.343 18726 1046 1 2 . 1 1 61 61 THR N N 61 114.366 114.366 112.508 1.858 18726 1047 1 2 . 1 1 61 61 THR HA H 61 3.675 3.675 4.063 -0.388 18726 1048 1 2 . 1 1 61 61 THR CA C 61 67.713 67.713 66.002 1.711 18726 1049 1 2 . 1 1 61 61 THR CB C 61 67.968 67.968 67.733 0.235 18726 1050 1 2 . 1 1 61 61 THR H H 61 8.654 8.654 7.705 0.949 18726 1051 1 2 . 1 1 62 62 SER N N 62 119.141 119.141 120.224 -1.083 18726 1052 1 2 . 1 1 62 62 SER HA H 62 4.232 4.232 4.192 0.040 18726 1053 1 2 . 1 1 62 62 SER CA C 62 62.217 62.217 62.294 -0.077 18726 1054 1 2 . 1 1 62 62 SER CB C 62 62.900 62.900 62.942 -0.042 18726 1055 1 2 . 1 1 62 62 SER H H 62 8.161 8.161 7.731 0.430 18726 1056 1 2 . 1 1 63 63 ALA N N 63 124.393 124.393 124.177 0.216 18726 1057 1 2 . 1 1 63 63 ALA HA H 63 4.178 4.178 4.189 -0.011 18726 1058 1 2 . 1 1 63 63 ALA CA C 63 55.418 55.418 54.958 0.460 18726 1059 1 2 . 1 1 63 63 ALA CB C 63 19.066 19.066 18.305 0.761 18726 1060 1 2 . 1 1 63 63 ALA H H 63 7.921 7.921 8.054 -0.133 18726 1061 1 2 . 1 1 64 64 VAL N N 64 118.888 118.888 119.289 -0.401 18726 1062 1 2 . 1 1 64 64 VAL HA H 64 3.765 3.765 3.728 0.037 18726 1063 1 2 . 1 1 64 64 VAL CA C 64 66.419 66.419 65.919 0.499 18726 1064 1 2 . 1 1 64 64 VAL CB C 64 31.966 31.966 31.072 0.894 18726 1065 1 2 . 1 1 64 64 VAL H H 64 8.548 8.548 8.352 0.196 18726 1066 1 2 . 1 1 65 65 SER N N 65 115.469 115.469 114.805 0.664 18726 1067 1 2 . 1 1 65 65 SER HA H 65 3.920 3.920 4.105 -0.185 18726 1068 1 2 . 1 1 65 65 SER CA C 65 63.235 63.235 62.143 1.092 18726 1069 1 2 . 1 1 65 65 SER CB C 65 63.291 63.291 62.822 0.469 18726 1070 1 2 . 1 1 65 65 SER H H 65 8.360 8.360 8.349 0.011 18726 1071 1 2 . 1 1 66 66 GLN N N 66 118.918 118.918 122.919 -4.001 18726 1072 1 2 . 1 1 66 66 GLN HA H 66 3.938 3.938 4.064 -0.126 18726 1073 1 2 . 1 1 66 66 GLN CA C 66 58.844 58.844 58.778 0.066 18726 1074 1 2 . 1 1 66 66 GLN CB C 66 28.810 28.810 28.465 0.345 18726 1075 1 2 . 1 1 66 66 GLN H H 66 7.676 7.676 7.414 0.262 18726 1076 1 2 . 1 1 67 67 ALA N N 67 120.720 120.720 120.601 0.119 18726 1077 1 2 . 1 1 67 67 ALA HA H 67 4.154 4.154 4.107 0.047 18726 1078 1 2 . 1 1 67 67 ALA CA C 67 55.323 55.323 54.904 0.419 18726 1079 1 2 . 1 1 67 67 ALA CB C 67 19.483 19.483 18.781 0.702 18726 1080 1 2 . 1 1 67 67 ALA H H 67 7.390 7.390 7.867 -0.477 18726 1081 1 2 . 1 1 68 68 VAL N N 68 119.335 119.335 116.697 2.638 18726 1082 1 2 . 1 1 68 68 VAL HA H 68 3.447 3.447 3.723 -0.276 18726 1083 1 2 . 1 1 68 68 VAL CA C 68 66.591 66.591 65.107 1.484 18726 1084 1 2 . 1 1 68 68 VAL CB C 68 31.514 31.514 31.225 0.289 18726 1085 1 2 . 1 1 68 68 VAL H H 68 9.069 9.069 7.925 1.144 18726 1086 1 2 . 1 1 69 69 ALA N N 69 122.568 122.568 119.606 2.962 18726 1087 1 2 . 1 1 69 69 ALA HA H 69 3.962 3.962 4.322 -0.360 18726 1088 1 2 . 1 1 69 69 ALA CA C 69 54.512 54.512 53.521 0.991 18726 1089 1 2 . 1 1 69 69 ALA CB C 69 18.035 18.035 18.606 -0.571 18726 1090 1 2 . 1 1 69 69 ALA H H 69 8.370 8.370 7.751 0.619 18726 1091 1 2 . 1 1 70 70 ASN N N 70 113.242 113.242 116.743 -3.501 18726 1092 1 2 . 1 1 70 70 ASN HA H 70 4.651 4.651 4.752 -0.101 18726 1093 1 2 . 1 1 70 70 ASN CA C 70 52.994 52.994 54.015 -1.021 18726 1094 1 2 . 1 1 70 70 ASN CB C 70 39.897 39.897 39.631 0.266 18726 1095 1 2 . 1 1 70 70 ASN H H 70 6.987 6.987 7.586 -0.599 18726 1096 1 2 . 1 1 71 71 VAL N N 71 122.456 122.456 119.263 3.193 18726 1097 1 2 . 1 1 71 71 VAL HA H 71 3.591 3.591 3.802 -0.211 18726 1098 1 2 . 1 1 71 71 VAL CA C 71 63.037 63.037 62.352 0.685 18726 1099 1 2 . 1 1 71 71 VAL CB C 71 31.598 31.598 31.837 -0.239 18726 1100 1 2 . 1 1 71 71 VAL H H 71 7.284 7.284 7.482 -0.198 18726 1101 1 2 . 1 1 72 72 ARG N N 72 108.757 108.757 116.777 -8.020 18726 1102 1 2 . 1 1 72 72 ARG HA H 72 4.387 4.387 4.039 0.348 18726 1103 1 2 . 1 1 72 72 ARG CA C 72 54.487 54.487 56.405 -1.918 18726 1104 1 2 . 1 1 72 72 ARG CB C 72 29.840 29.840 27.558 2.283 18726 1105 1 2 . 1 1 72 72 ARG H H 72 8.700 8.700 7.750 0.950 18726 1106 1 2 . 1 1 73 73 PRO HA H 73 4.399 4.399 4.626 -0.227 18726 1107 1 2 . 1 1 73 73 PRO CA C 73 64.339 64.339 63.341 0.998 18726 1108 1 2 . 1 1 73 73 PRO CB C 73 32.043 32.043 32.083 -0.040 18726 1109 1 2 . 1 1 74 74 GLY N N 74 111.647 111.647 108.987 2.660 18726 1110 1 2 . 1 1 74 74 GLY CA C 74 45.188 45.188 45.130 0.058 18726 1111 1 2 . 1 1 74 74 GLY H H 74 9.447 9.447 8.927 0.520 18726 1112 1 2 . 1 1 75 75 SER N N 75 116.057 116.057 115.689 0.368 18726 1113 1 2 . 1 1 75 75 SER HA H 75 4.477 4.477 4.724 -0.247 18726 1114 1 2 . 1 1 75 75 SER CA C 75 60.509 60.509 56.423 4.086 18726 1115 1 2 . 1 1 75 75 SER CB C 75 64.710 64.710 65.613 -0.903 18726 1116 1 2 . 1 1 75 75 SER H H 75 7.600 7.600 8.048 -0.448 18726 1117 1 2 . 1 1 76 76 SER N N 76 118.456 118.456 118.893 -0.437 18726 1118 1 2 . 1 1 76 76 SER HA H 76 4.693 4.693 4.518 0.175 18726 1119 1 2 . 1 1 76 76 SER CA C 76 57.247 57.247 57.557 -0.310 18726 1120 1 2 . 1 1 76 76 SER CB C 76 63.011 63.011 63.654 -0.642 18726 1121 1 2 . 1 1 76 76 SER H H 76 8.726 8.726 8.862 -0.136 18726 1122 1 2 . 1 1 77 77 PRO HA H 77 4.262 4.262 4.432 -0.170 18726 1123 1 2 . 1 1 77 77 PRO CA C 77 66.565 66.565 64.583 1.982 18726 1124 1 2 . 1 1 77 77 PRO CB C 77 32.350 32.350 31.926 0.424 18726 1125 1 2 . 1 1 78 78 ALA N N 78 117.189 117.189 121.425 -4.236 18726 1126 1 2 . 1 1 78 78 ALA HA H 78 4.513 4.513 4.261 0.252 18726 1127 1 2 . 1 1 78 78 ALA CA C 78 54.590 54.590 54.556 0.034 18726 1128 1 2 . 1 1 78 78 ALA CB C 78 18.982 18.982 18.586 0.396 18726 1129 1 2 . 1 1 78 78 ALA H H 78 8.085 8.085 8.334 -0.249 18726 1130 1 2 . 1 1 79 79 VAL N N 79 119.946 119.946 116.194 3.752 18726 1131 1 2 . 1 1 79 79 VAL HA H 79 3.609 3.609 3.762 -0.153 18726 1132 1 2 . 1 1 79 79 VAL CA C 79 66.307 66.307 65.429 0.878 18726 1133 1 2 . 1 1 79 79 VAL CB C 79 31.820 31.820 30.360 1.460 18726 1134 1 2 . 1 1 79 79 VAL H H 79 7.741 7.741 7.512 0.229 18726 1135 1 2 . 1 1 80 80 TYR N N 80 117.577 117.577 120.281 -2.704 18726 1136 1 2 . 1 1 80 80 TYR HA H 80 3.867 3.867 4.041 -0.174 18726 1137 1 2 . 1 1 80 80 TYR CA C 80 63.675 63.675 62.473 1.202 18726 1138 1 2 . 1 1 80 80 TYR CB C 80 39.924 39.924 37.793 2.131 18726 1139 1 2 . 1 1 80 80 TYR H H 80 7.207 7.207 7.502 -0.295 18726 1140 1 2 . 1 1 81 81 ALA N N 81 118.761 118.761 119.468 -0.707 18726 1141 1 2 . 1 1 81 81 ALA HA H 81 3.711 3.711 3.949 -0.238 18726 1142 1 2 . 1 1 81 81 ALA CA C 81 55.781 55.781 54.893 0.888 18726 1143 1 2 . 1 1 81 81 ALA CB C 81 20.792 20.792 18.346 2.446 18726 1144 1 2 . 1 1 81 81 ALA H H 81 8.962 8.962 8.063 0.899 18726 1145 1 2 . 1 1 82 82 LYS N N 82 117.778 117.778 119.627 -1.849 18726 1146 1 2 . 1 1 82 82 LYS HA H 82 3.807 3.807 4.068 -0.261 18726 1147 1 2 . 1 1 82 82 LYS CA C 82 60.155 60.155 58.852 1.303 18726 1148 1 2 . 1 1 82 82 LYS CB C 82 32.322 32.322 32.366 -0.044 18726 1149 1 2 . 1 1 82 82 LYS H H 82 7.727 7.727 7.651 0.076 18726 1150 1 2 . 1 1 83 83 ALA N N 83 120.810 120.810 120.507 0.303 18726 1151 1 2 . 1 1 83 83 ALA HA H 83 4.022 4.022 4.210 -0.188 18726 1152 1 2 . 1 1 83 83 ALA CA C 83 54.366 54.366 54.748 -0.382 18726 1153 1 2 . 1 1 83 83 ALA CB C 83 18.453 18.453 18.292 0.161 18726 1154 1 2 . 1 1 83 83 ALA H H 83 7.182 7.182 8.162 -0.980 18726 1155 1 2 . 1 1 84 84 ILE N N 84 109.964 109.964 113.962 -3.998 18726 1156 1 2 . 1 1 84 84 ILE HA H 84 3.861 3.861 3.980 -0.119 18726 1157 1 2 . 1 1 84 84 ILE CA C 84 63.373 63.373 62.020 1.353 18726 1158 1 2 . 1 1 84 84 ILE CB C 84 40.342 40.342 38.570 1.772 18726 1159 1 2 . 1 1 84 84 ILE H H 84 7.109 7.109 7.132 -0.023 18726 1160 1 2 . 1 1 85 85 ALA N N 85 120.162 120.162 121.091 -0.929 18726 1161 1 2 . 1 1 85 85 ALA HA H 85 3.777 3.777 4.368 -0.591 18726 1162 1 2 . 1 1 85 85 ALA CA C 85 55.789 55.789 53.898 1.891 18726 1163 1 2 . 1 1 85 85 ALA CB C 85 20.931 20.931 19.746 1.185 18726 1164 1 2 . 1 1 85 85 ALA H H 85 8.770 8.770 7.484 1.286 18726 1165 1 2 . 1 1 86 86 ALA N N 86 116.824 116.824 123.351 -6.527 18726 1166 1 2 . 1 1 86 86 ALA HA H 86 4.310 4.310 4.057 0.253 18726 1167 1 2 . 1 1 86 86 ALA CA C 86 56.756 56.756 56.819 -0.063 18726 1168 1 2 . 1 1 86 86 ALA CB C 86 15.417 15.417 16.315 -0.898 18726 1169 1 2 . 1 1 86 86 ALA H H 86 8.513 8.513 8.684 -0.171 18726 1170 1 2 . 1 1 87 87 PRO HA H 87 4.405 4.405 4.304 0.101 18726 1171 1 2 . 1 1 87 87 PRO CA C 87 65.185 65.185 65.527 -0.342 18726 1172 1 2 . 1 1 87 87 PRO CB C 87 30.734 30.734 30.966 -0.232 18726 1173 1 2 . 1 1 88 88 SER N N 88 108.653 108.653 113.568 -4.915 18726 1174 1 2 . 1 1 88 88 SER HA H 88 3.861 3.861 4.188 -0.327 18726 1175 1 2 . 1 1 88 88 SER CA C 88 62.735 62.735 61.174 1.561 18726 1176 1 2 . 1 1 88 88 SER CB C 88 63.039 63.039 62.863 0.176 18726 1177 1 2 . 1 1 88 88 SER H H 88 6.474 6.474 7.886 -1.412 18726 1178 1 2 . 1 1 89 89 VAL N N 89 120.951 120.951 123.236 -2.285 18726 1179 1 2 . 1 1 89 89 VAL HA H 89 3.226 3.226 3.567 -0.341 18726 1180 1 2 . 1 1 89 89 VAL CA C 89 67.644 67.644 66.868 0.776 18726 1181 1 2 . 1 1 89 89 VAL CB C 89 30.929 30.929 31.899 -0.970 18726 1182 1 2 . 1 1 89 89 VAL H H 89 8.220 8.220 8.536 -0.316 18726 1183 1 2 . 1 1 90 90 GLN N N 90 117.435 117.435 119.202 -1.767 18726 1184 1 2 . 1 1 90 90 GLN HA H 90 3.873 3.873 3.997 -0.124 18726 1185 1 2 . 1 1 90 90 GLN CA C 90 59.818 59.818 59.208 0.610 18726 1186 1 2 . 1 1 90 90 GLN CB C 90 28.256 28.256 28.247 0.009 18726 1187 1 2 . 1 1 90 90 GLN H H 90 7.922 7.922 8.022 -0.100 18726 1188 1 2 . 1 1 91 91 ILE N N 91 117.875 117.875 120.314 -2.439 18726 1189 1 2 . 1 1 91 91 ILE HA H 91 4.052 4.052 3.854 0.198 18726 1190 1 2 . 1 1 91 91 ILE CA C 91 63.201 63.201 64.366 -1.165 18726 1191 1 2 . 1 1 91 91 ILE CB C 91 37.613 37.613 38.161 -0.548 18726 1192 1 2 . 1 1 91 91 ILE H H 91 7.532 7.532 7.437 0.095 18726 1193 1 2 . 1 1 92 92 LEU N N 92 123.357 123.357 121.026 2.331 18726 1194 1 2 . 1 1 92 92 LEU HA H 92 3.807 3.807 3.981 -0.174 18726 1195 1 2 . 1 1 92 92 LEU CA C 92 59.171 59.171 58.368 0.803 18726 1196 1 2 . 1 1 92 92 LEU CB C 92 41.205 41.205 41.920 -0.715 18726 1197 1 2 . 1 1 92 92 LEU H H 92 8.481 8.481 8.079 0.402 18726 1198 1 2 . 1 1 93 93 VAL N N 93 118.180 118.180 118.451 -0.271 18726 1199 1 2 . 1 1 93 93 VAL HA H 93 3.873 3.873 3.871 0.002 18726 1200 1 2 . 1 1 93 93 VAL CA C 93 66.496 66.496 64.603 1.893 18726 1201 1 2 . 1 1 93 93 VAL CB C 93 31.765 31.765 31.851 -0.086 18726 1202 1 2 . 1 1 93 93 VAL H H 93 8.777 8.777 8.566 0.211 18726 1203 1 2 . 1 1 94 94 SER N N 94 118.471 118.471 115.564 2.907 18726 1204 1 2 . 1 1 94 94 SER HA H 94 4.226 4.226 4.274 -0.048 18726 1205 1 2 . 1 1 94 94 SER CA C 94 62.390 62.390 61.122 1.268 18726 1206 1 2 . 1 1 94 94 SER CB C 94 62.733 62.733 63.362 -0.629 18726 1207 1 2 . 1 1 94 94 SER H H 94 8.660 8.660 7.666 0.994 18726 1208 1 2 . 1 1 95 95 SER N N 95 112.698 112.698 113.915 -1.217 18726 1209 1 2 . 1 1 95 95 SER HA H 95 4.441 4.441 4.548 -0.107 18726 1210 1 2 . 1 1 95 95 SER CA C 95 59.301 59.301 58.283 1.018 18726 1211 1 2 . 1 1 95 95 SER CB C 95 65.935 65.935 63.533 2.402 18726 1212 1 2 . 1 1 95 95 SER H H 95 8.048 8.048 7.859 0.189 18726 1213 1 2 . 1 1 96 96 GLY N N 96 110.277 110.277 109.636 0.641 18726 1214 1 2 . 1 1 96 96 GLY CA C 96 45.968 45.968 46.070 -0.102 18726 1215 1 2 . 1 1 96 96 GLY H H 96 7.955 7.955 7.334 0.621 18726 1216 1 2 . 1 1 97 97 SER N N 97 115.595 115.595 115.153 0.442 18726 1217 1 2 . 1 1 97 97 SER HA H 97 4.292 4.292 4.202 0.090 18726 1218 1 2 . 1 1 97 97 SER CA C 97 61.535 61.535 60.495 1.040 18726 1219 1 2 . 1 1 97 97 SER CB C 97 64.042 64.042 63.748 0.294 18726 1220 1 2 . 1 1 97 97 SER H H 97 8.216 8.216 7.992 0.224 18726 1221 1 2 . 1 1 98 98 VAL N N 98 116.579 116.579 116.662 -0.083 18726 1222 1 2 . 1 1 98 98 VAL HA H 98 4.884 4.884 4.373 0.511 18726 1223 1 2 . 1 1 98 98 VAL CA C 98 59.111 59.111 60.086 -0.975 18726 1224 1 2 . 1 1 98 98 VAL CB C 98 35.051 35.051 34.133 0.918 18726 1225 1 2 . 1 1 98 98 VAL H H 98 7.288 7.288 7.467 -0.179 18726 1226 1 2 . 1 1 99 99 ASN N N 99 123.722 123.722 122.889 0.833 18726 1227 1 2 . 1 1 99 99 ASN HA H 99 4.627 4.627 4.823 -0.196 18726 1228 1 2 . 1 1 99 99 ASN CA C 99 51.838 51.838 51.840 -0.002 18726 1229 1 2 . 1 1 99 99 ASN CB C 99 40.676 40.676 40.775 -0.099 18726 1230 1 2 . 1 1 99 99 ASN H H 99 9.179 9.179 8.540 0.639 18726 1231 1 2 . 1 1 100 100 ASN N N 100 115.148 115.148 118.793 -3.645 18726 1232 1 2 . 1 1 100 100 ASN HA H 100 4.292 4.292 4.731 -0.439 18726 1233 1 2 . 1 1 100 100 ASN CA C 100 56.894 56.894 53.809 3.085 18726 1234 1 2 . 1 1 100 100 ASN CB C 100 38.281 38.281 37.080 1.201 18726 1235 1 2 . 1 1 100 100 ASN H H 100 8.667 8.667 8.645 0.022 18726 1236 1 2 . 1 1 101 101 ASN N N 101 115.201 115.201 117.064 -1.863 18726 1237 1 2 . 1 1 101 101 ASN HA H 101 4.711 4.711 4.648 0.063 18726 1238 1 2 . 1 1 101 101 ASN CA C 101 55.306 55.306 55.017 0.289 18726 1239 1 2 . 1 1 101 101 ASN CB C 101 39.256 39.256 39.130 0.126 18726 1240 1 2 . 1 1 101 101 ASN H H 101 8.471 8.471 8.205 0.266 18726 1241 1 2 . 1 1 102 102 ASN N N 102 116.780 116.780 118.605 -1.825 18726 1242 1 2 . 1 1 102 102 ASN HA H 102 5.124 5.124 4.902 0.222 18726 1243 1 2 . 1 1 102 102 ASN CA C 102 51.950 51.950 53.425 -1.476 18726 1244 1 2 . 1 1 102 102 ASN CB C 102 39.089 39.089 39.770 -0.681 18726 1245 1 2 . 1 1 102 102 ASN H H 102 7.854 7.854 7.962 -0.108 18726 1246 1 2 . 1 1 103 103 ALA N N 103 121.808 121.808 124.040 -2.232 18726 1247 1 2 . 1 1 103 103 ALA HA H 103 3.747 3.747 3.907 -0.160 18726 1248 1 2 . 1 1 103 103 ALA CA C 103 57.058 57.058 55.891 1.167 18726 1249 1 2 . 1 1 103 103 ALA CB C 103 19.511 19.511 18.558 0.953 18726 1250 1 2 . 1 1 103 103 ALA H H 103 7.447 7.447 7.801 -0.353 18726 1251 1 2 . 1 1 104 104 LYS N N 104 114.873 114.873 117.528 -2.655 18726 1252 1 2 . 1 1 104 104 LYS HA H 104 3.992 3.992 4.261 -0.269 18726 1253 1 2 . 1 1 104 104 LYS CA C 104 60.284 60.284 59.383 0.901 18726 1254 1 2 . 1 1 104 104 LYS CB C 104 32.322 32.322 31.796 0.526 18726 1255 1 2 . 1 1 104 104 LYS H H 104 8.344 8.344 8.333 0.011 18726 1256 1 2 . 1 1 105 105 GLN N N 105 120.720 120.720 119.633 1.087 18726 1257 1 2 . 1 1 105 105 GLN HA H 105 4.094 4.094 4.144 -0.050 18726 1258 1 2 . 1 1 105 105 GLN CA C 105 59.137 59.137 59.675 -0.538 18726 1259 1 2 . 1 1 105 105 GLN CB C 105 28.339 28.339 28.661 -0.322 18726 1260 1 2 . 1 1 105 105 GLN H H 105 7.892 7.892 7.397 0.495 18726 1261 1 2 . 1 1 106 106 VAL N N 106 120.556 120.556 120.528 0.028 18726 1262 1 2 . 1 1 106 106 VAL HA H 106 3.567 3.567 3.748 -0.181 18726 1263 1 2 . 1 1 106 106 VAL CA C 106 66.496 66.496 65.044 1.452 18726 1264 1 2 . 1 1 106 106 VAL CB C 106 31.848 31.848 31.267 0.581 18726 1265 1 2 . 1 1 106 106 VAL H H 106 8.693 8.693 8.717 -0.024 18726 1266 1 2 . 1 1 107 107 ALA N N 107 119.655 119.655 121.788 -2.133 18726 1267 1 2 . 1 1 107 107 ALA HA H 107 3.813 3.813 3.991 -0.178 18726 1268 1 2 . 1 1 107 107 ALA CA C 107 55.884 55.884 55.443 0.441 18726 1269 1 2 . 1 1 107 107 ALA CB C 107 18.174 18.174 18.168 0.006 18726 1270 1 2 . 1 1 107 107 ALA H H 107 8.750 8.750 8.140 0.610 18726 1271 1 2 . 1 1 108 108 SER N N 108 115.469 115.469 113.750 1.719 18726 1272 1 2 . 1 1 108 108 SER HA H 108 4.304 4.304 4.225 0.079 18726 1273 1 2 . 1 1 108 108 SER CA C 108 61.950 61.950 61.155 0.795 18726 1274 1 2 . 1 1 108 108 SER CB C 108 63.290 63.290 63.344 -0.054 18726 1275 1 2 . 1 1 108 108 SER H H 108 8.162 8.162 7.775 0.387 18726 1276 1 2 . 1 1 109 109 THR N N 109 119.201 119.201 119.944 -0.743 18726 1277 1 2 . 1 1 109 109 THR HA H 109 4.052 4.052 4.131 -0.079 18726 1278 1 2 . 1 1 109 109 THR CA C 109 67.195 67.195 66.334 0.861 18726 1279 1 2 . 1 1 109 109 THR CB C 109 68.832 68.832 68.971 -0.139 18726 1280 1 2 . 1 1 109 109 THR H H 109 8.218 8.218 8.035 0.183 18726 1281 1 2 . 1 1 110 110 LEU N N 110 122.329 122.329 123.520 -1.191 18726 1282 1 2 . 1 1 110 110 LEU HA H 110 3.920 3.920 3.929 -0.009 18726 1283 1 2 . 1 1 110 110 LEU CA C 110 59.025 59.025 59.142 -0.116 18726 1284 1 2 . 1 1 110 110 LEU CB C 110 43.211 43.211 41.920 1.291 18726 1285 1 2 . 1 1 110 110 LEU H H 110 9.083 9.083 8.503 0.580 18726 1286 1 2 . 1 1 111 111 SER N N 111 113.018 113.018 114.321 -1.303 18726 1287 1 2 . 1 1 111 111 SER HA H 111 3.747 3.747 4.094 -0.347 18726 1288 1 2 . 1 1 111 111 SER CA C 111 63.848 63.848 62.641 1.207 18726 1289 1 2 . 1 1 111 111 SER CB C 111 63.958 63.958 62.630 1.328 18726 1290 1 2 . 1 1 111 111 SER H H 111 8.052 8.052 7.843 0.209 18726 1291 1 2 . 1 1 112 112 GLU N N 112 122.329 122.329 123.127 -0.798 18726 1292 1 2 . 1 1 112 112 GLU HA H 112 3.741 3.741 3.912 -0.171 18726 1293 1 2 . 1 1 112 112 GLU CA C 112 60.431 60.431 59.681 0.750 18726 1294 1 2 . 1 1 112 112 GLU CB C 112 29.199 29.199 29.509 -0.309 18726 1295 1 2 . 1 1 112 112 GLU H H 112 8.358 8.358 8.000 0.358 18726 1296 1 2 . 1 1 113 113 ASN N N 113 113.629 113.629 117.866 -4.237 18726 1297 1 2 . 1 1 113 113 ASN HA H 113 4.375 4.375 4.567 -0.192 18726 1298 1 2 . 1 1 113 113 ASN CA C 113 57.523 57.523 56.420 1.103 18726 1299 1 2 . 1 1 113 113 ASN CB C 113 40.788 40.788 39.133 1.655 18726 1300 1 2 . 1 1 113 113 ASN H H 113 7.265 7.265 8.380 -1.115 18726 1301 1 2 . 1 1 114 114 LEU N N 114 118.054 118.054 123.094 -5.040 18726 1302 1 2 . 1 1 114 114 LEU HA H 114 3.944 3.944 4.099 -0.155 18726 1303 1 2 . 1 1 114 114 LEU CA C 114 58.619 58.619 58.418 0.201 18726 1304 1 2 . 1 1 114 114 LEU CB C 114 43.489 43.489 42.149 1.340 18726 1305 1 2 . 1 1 114 114 LEU H H 114 8.417 8.417 8.533 -0.116 18726 1306 1 2 . 1 1 115 115 VAL N N 115 115.990 115.990 118.353 -2.363 18726 1307 1 2 . 1 1 115 115 VAL HA H 115 3.561 3.561 3.609 -0.048 18726 1308 1 2 . 1 1 115 115 VAL CA C 115 67.730 67.730 67.002 0.728 18726 1309 1 2 . 1 1 115 115 VAL CB C 115 31.820 31.820 31.311 0.509 18726 1310 1 2 . 1 1 115 115 VAL H H 115 8.051 8.051 8.646 -0.595 18726 1311 1 2 . 1 1 116 116 ARG N N 116 116.541 116.541 120.575 -4.034 18726 1312 1 2 . 1 1 116 116 ARG HA H 116 3.771 3.771 3.899 -0.128 18726 1313 1 2 . 1 1 116 116 ARG CA C 116 60.552 60.552 60.062 0.490 18726 1314 1 2 . 1 1 116 116 ARG CB C 116 30.790 30.790 29.984 0.806 18726 1315 1 2 . 1 1 116 116 ARG H H 116 7.799 7.799 7.670 0.129 18726 1316 1 2 . 1 1 117 117 GLU N N 117 116.013 116.013 119.105 -3.092 18726 1317 1 2 . 1 1 117 117 GLU HA H 117 4.627 4.627 4.216 0.411 18726 1318 1 2 . 1 1 117 117 GLU CA C 117 57.593 57.593 58.704 -1.111 18726 1319 1 2 . 1 1 117 117 GLU CB C 117 28.952 28.952 29.275 -0.323 18726 1320 1 2 . 1 1 117 117 GLU H H 117 8.089 8.089 7.994 0.095 18726 1321 1 2 . 1 1 118 118 MET N N 118 120.497 120.497 120.373 0.124 18726 1322 1 2 . 1 1 118 118 MET HA H 118 4.046 4.046 4.336 -0.290 18726 1323 1 2 . 1 1 118 118 MET CA C 118 60.845 60.845 59.583 1.262 18726 1324 1 2 . 1 1 118 118 MET CB C 118 34.132 34.132 32.595 1.537 18726 1325 1 2 . 1 1 118 118 MET H H 118 8.751 8.751 8.493 0.258 18726 1326 1 2 . 1 1 119 119 ALA N N 119 119.171 119.171 120.894 -1.723 18726 1327 1 2 . 1 1 119 119 ALA HA H 119 3.819 3.819 4.000 -0.181 18726 1328 1 2 . 1 1 119 119 ALA CA C 119 55.979 55.979 55.438 0.541 18726 1329 1 2 . 1 1 119 119 ALA CB C 119 18.954 18.954 18.299 0.655 18726 1330 1 2 . 1 1 119 119 ALA H H 119 7.903 7.903 8.730 -0.827 18726 1331 1 2 . 1 1 120 120 ASN N N 120 115.223 115.223 115.535 -0.312 18726 1332 1 2 . 1 1 120 120 ASN HA H 120 4.465 4.465 4.520 -0.055 18726 1333 1 2 . 1 1 120 120 ASN CA C 120 56.480 56.480 55.702 0.778 18726 1334 1 2 . 1 1 120 120 ASN CB C 120 38.922 38.922 38.366 0.556 18726 1335 1 2 . 1 1 120 120 ASN H H 120 7.687 7.687 7.896 -0.209 18726 1336 1 2 . 1 1 121 121 THR N N 121 117.264 117.264 114.589 2.675 18726 1337 1 2 . 1 1 121 121 THR HA H 121 3.956 3.956 4.382 -0.426 18726 1338 1 2 . 1 1 121 121 THR CA C 121 67.074 67.074 65.545 1.529 18726 1339 1 2 . 1 1 121 121 THR CB C 121 68.247 68.247 69.312 -1.065 18726 1340 1 2 . 1 1 121 121 THR H H 121 8.726 8.726 7.755 0.971 18726 1341 1 2 . 1 1 122 122 ALA N N 122 123.581 123.581 125.349 -1.768 18726 1342 1 2 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.307 -0.351 18726 1343 1 2 . 1 1 122 122 ALA CA C 122 55.824 55.824 55.045 0.779 18726 1344 1 2 . 1 1 122 122 ALA CB C 122 16.782 16.782 18.343 -1.561 18726 1345 1 2 . 1 1 122 122 ALA H H 122 8.955 8.955 8.714 0.241 18726 1346 1 2 . 1 1 123 123 ARG N N 123 116.698 116.698 117.803 -1.105 18726 1347 1 2 . 1 1 123 123 ARG HA H 123 4.190 4.190 4.132 0.058 18726 1348 1 2 . 1 1 123 123 ARG CA C 123 59.732 59.732 59.021 0.711 18726 1349 1 2 . 1 1 123 123 ARG CB C 123 30.233 30.233 29.723 0.510 18726 1350 1 2 . 1 1 123 123 ARG H H 123 7.439 7.439 8.407 -0.968 18726 1351 1 2 . 1 1 124 124 ARG N N 124 119.231 119.231 118.675 0.556 18726 1352 1 2 . 1 1 124 124 ARG HA H 124 4.082 4.082 4.111 -0.029 18726 1353 1 2 . 1 1 124 124 ARG CA C 124 58.240 58.240 57.877 0.363 18726 1354 1 2 . 1 1 124 124 ARG CB C 124 29.314 29.314 29.905 -0.591 18726 1355 1 2 . 1 1 124 124 ARG H H 124 7.669 7.669 7.694 -0.025 18726 1356 1 2 . 1 1 125 125 TYR N N 125 118.650 118.650 117.466 1.184 18726 1357 1 2 . 1 1 125 125 TYR HA H 125 4.567 4.567 4.622 -0.055 18726 1358 1 2 . 1 1 125 125 TYR CA C 125 57.748 57.748 57.210 0.538 18726 1359 1 2 . 1 1 125 125 TYR CB C 125 38.059 38.059 37.504 0.555 18726 1360 1 2 . 1 1 125 125 TYR H H 125 7.606 7.606 7.705 -0.099 18726 1361 1 2 . 1 1 126 126 ARG N N 126 110.322 110.322 117.721 -7.399 18726 1362 1 2 . 1 1 126 126 ARG HA H 126 3.789 3.789 4.059 -0.270 18726 1363 1 2 . 1 1 126 126 ARG CA C 126 57.860 57.860 57.297 0.563 18726 1364 1 2 . 1 1 126 126 ARG CB C 126 27.866 27.866 28.003 -0.137 18726 1365 1 2 . 1 1 126 126 ARG H H 126 7.657 7.657 7.670 -0.013 18726 1366 1 2 . 1 1 127 127 VAL N N 127 120.877 120.877 115.580 5.297 18726 1367 1 2 . 1 1 127 127 VAL HA H 127 4.004 4.004 4.169 -0.165 18726 1368 1 2 . 1 1 127 127 VAL CA C 127 62.105 62.105 62.796 -0.691 18726 1369 1 2 . 1 1 127 127 VAL CB C 127 31.681 31.681 32.169 -0.488 18726 1370 1 2 . 1 1 127 127 VAL H H 127 7.601 7.601 7.803 -0.202 18726 1371 1 2 . 1 1 128 128 ASN N N 128 125.726 125.726 118.562 7.164 18726 1372 1 2 . 1 1 128 128 ASN HA H 128 4.663 4.663 4.364 0.299 18726 1373 1 2 . 1 1 128 128 ASN CA C 128 52.787 52.787 53.973 -1.186 18726 1374 1 2 . 1 1 128 128 ASN CB C 128 39.476 39.476 38.245 1.230 18726 1375 1 2 . 1 1 128 128 ASN H H 128 8.604 8.604 7.777 0.827 18726 1376 1 2 . 1 1 129 129 VAL N N 129 126.963 126.963 122.385 4.578 18726 1377 1 2 . 1 1 129 129 VAL HA H 129 4.286 4.286 4.404 -0.118 18726 1378 1 2 . 1 1 129 129 VAL CA C 129 59.637 59.637 59.124 0.513 18726 1379 1 2 . 1 1 129 129 VAL CB C 129 33.101 33.101 32.340 0.761 18726 1380 1 2 . 1 1 129 129 VAL H H 129 8.223 8.223 8.268 -0.045 18726 1381 1 2 . 1 1 130 130 PRO HA H 130 4.435 4.435 4.607 -0.172 18726 1382 1 2 . 1 1 130 130 PRO CA C 130 63.045 63.045 61.981 1.064 18726 1383 1 2 . 1 1 130 130 PRO CB C 130 32.795 32.795 33.024 -0.229 18726 1384 1 2 . 1 1 131 131 GLU N N 131 125.786 125.786 122.308 3.478 18726 1385 1 2 . 1 1 131 131 GLU HA H 131 3.944 3.944 3.939 0.005 18726 1386 1 2 . 1 1 131 131 GLU CA C 131 60.431 60.431 60.159 0.272 18726 1387 1 2 . 1 1 131 131 GLU CB C 131 29.147 29.147 28.981 0.166 18726 1388 1 2 . 1 1 131 131 GLU H H 131 9.135 9.135 8.924 0.211 18726 1389 1 2 . 1 1 132 132 ALA N N 132 119.640 119.640 120.384 -0.744 18726 1390 1 2 . 1 1 132 132 ALA HA H 132 4.183 4.183 4.153 0.030 18726 1391 1 2 . 1 1 132 132 ALA CA C 132 55.341 55.341 54.680 0.661 18726 1392 1 2 . 1 1 132 132 ALA CB C 132 18.314 18.314 18.209 0.105 18726 1393 1 2 . 1 1 132 132 ALA H H 132 9.105 9.105 8.270 0.835 18726 1394 1 2 . 1 1 133 133 SER N N 133 114.523 114.523 112.514 2.009 18726 1395 1 2 . 1 1 133 133 SER HA H 133 4.328 4.328 4.374 -0.046 18726 1396 1 2 . 1 1 133 133 SER CA C 133 61.673 61.673 60.087 1.586 18726 1397 1 2 . 1 1 133 133 SER CB C 133 62.621 62.621 63.991 -1.370 18726 1398 1 2 . 1 1 133 133 SER H H 133 7.417 7.417 7.892 -0.475 18726 1399 1 2 . 1 1 134 134 VAL N N 134 124.609 124.609 122.225 2.384 18726 1400 1 2 . 1 1 134 134 VAL HA H 134 3.495 3.495 3.718 -0.223 18726 1401 1 2 . 1 1 134 134 VAL CA C 134 66.867 66.867 65.710 1.157 18726 1402 1 2 . 1 1 134 134 VAL CB C 134 31.514 31.514 31.175 0.339 18726 1403 1 2 . 1 1 134 134 VAL H H 134 7.731 7.731 7.828 -0.097 18726 1404 1 2 . 1 1 135 135 GLN N N 135 118.590 118.590 119.879 -1.289 18726 1405 1 2 . 1 1 135 135 GLN HA H 135 3.932 3.932 4.007 -0.075 18726 1406 1 2 . 1 1 135 135 GLN CA C 135 59.154 59.154 59.186 -0.032 18726 1407 1 2 . 1 1 135 135 GLN CB C 135 27.810 27.810 27.206 0.604 18726 1408 1 2 . 1 1 135 135 GLN H H 135 8.247 8.247 8.596 -0.349 18726 1409 1 2 . 1 1 136 136 ALA N N 136 121.867 121.867 121.567 0.300 18726 1410 1 2 . 1 1 136 136 ALA HA H 136 4.184 4.184 4.080 0.104 18726 1411 1 2 . 1 1 136 136 ALA CA C 136 55.229 55.229 54.896 0.333 18726 1412 1 2 . 1 1 136 136 ALA CB C 136 17.924 17.924 17.652 0.272 18726 1413 1 2 . 1 1 136 136 ALA H H 136 7.617 7.617 7.816 -0.199 18726 1414 1 2 . 1 1 137 137 ASP N N 137 121.450 121.450 119.216 2.234 18726 1415 1 2 . 1 1 137 137 ASP HA H 137 4.423 4.423 4.451 -0.028 18726 1416 1 2 . 1 1 137 137 ASP CA C 137 57.480 57.480 57.160 0.320 18726 1417 1 2 . 1 1 137 137 ASP CB C 137 41.735 41.735 40.258 1.478 18726 1418 1 2 . 1 1 137 137 ASP H H 137 8.097 8.097 7.424 0.673 18726 1419 1 2 . 1 1 138 138 VAL N N 138 121.018 121.018 119.669 1.349 18726 1420 1 2 . 1 1 138 138 VAL HA H 138 3.543 3.543 3.700 -0.157 18726 1421 1 2 . 1 1 138 138 VAL CA C 138 67.644 67.644 66.642 1.002 18726 1422 1 2 . 1 1 138 138 VAL CB C 138 31.625 31.625 31.407 0.218 18726 1423 1 2 . 1 1 138 138 VAL H H 138 8.630 8.630 8.291 0.339 18726 1424 1 2 . 1 1 139 139 SER N N 139 117.279 117.279 116.216 1.063 18726 1425 1 2 . 1 1 139 139 SER HA H 139 4.087 4.087 4.378 -0.291 18726 1426 1 2 . 1 1 139 139 SER CA C 139 62.191 62.191 62.117 0.074 18726 1427 1 2 . 1 1 139 139 SER CB C 139 62.996 62.996 63.215 -0.220 18726 1428 1 2 . 1 1 139 139 SER H H 139 8.146 8.146 8.065 0.081 18726 1429 1 2 . 1 1 140 140 LEU N N 140 123.402 123.402 122.690 0.712 18726 1430 1 2 . 1 1 140 140 LEU HA H 140 4.184 4.184 4.140 0.044 18726 1431 1 2 . 1 1 140 140 LEU CA C 140 59.025 59.025 58.188 0.837 18726 1432 1 2 . 1 1 140 140 LEU CB C 140 42.459 42.459 42.070 0.389 18726 1433 1 2 . 1 1 140 140 LEU H H 140 8.283 8.283 7.740 0.543 18726 1434 1 2 . 1 1 141 141 VAL N N 141 112.944 112.944 114.733 -1.789 18726 1435 1 2 . 1 1 141 141 VAL HA H 141 3.956 3.956 3.591 0.365 18726 1436 1 2 . 1 1 141 141 VAL CA C 141 66.169 66.169 66.411 -0.242 18726 1437 1 2 . 1 1 141 141 VAL CB C 141 30.762 30.762 31.570 -0.808 18726 1438 1 2 . 1 1 141 141 VAL H H 141 8.969 8.969 8.120 0.849 18726 1439 1 2 . 1 1 142 142 THR N N 142 114.612 114.612 113.856 0.756 18726 1440 1 2 . 1 1 142 142 THR HA H 142 4.160 4.160 4.153 0.007 18726 1441 1 2 . 1 1 142 142 THR CA C 142 65.668 65.668 65.872 -0.204 18726 1442 1 2 . 1 1 142 142 THR CB C 142 68.804 68.804 68.544 0.259 18726 1443 1 2 . 1 1 142 142 THR H H 142 8.134 8.134 8.115 0.019 18726 1444 1 2 . 1 1 143 143 SER N N 143 120.124 120.124 118.762 1.362 18726 1445 1 2 . 1 1 143 143 SER HA H 143 4.292 4.292 4.253 0.039 18726 1446 1 2 . 1 1 143 143 SER CA C 143 62.079 62.079 62.005 0.074 18726 1447 1 2 . 1 1 143 143 SER CB C 143 62.928 62.928 62.763 0.165 18726 1448 1 2 . 1 1 143 143 SER H H 143 8.014 8.014 8.127 -0.113 18726 1449 1 2 . 1 1 144 144 MET N N 144 119.335 119.335 119.002 0.333 18726 1450 1 2 . 1 1 144 144 MET HA H 144 4.226 4.226 4.280 -0.054 18726 1451 1 2 . 1 1 144 144 MET CA C 144 59.189 59.189 58.466 0.723 18726 1452 1 2 . 1 1 144 144 MET CB C 144 33.826 33.826 32.598 1.228 18726 1453 1 2 . 1 1 144 144 MET H H 144 8.172 8.172 7.840 0.332 18726 1454 1 2 . 1 1 145 145 THR N N 145 107.737 107.737 114.398 -6.661 18726 1455 1 2 . 1 1 145 145 THR HA H 145 4.052 4.052 4.110 -0.058 18726 1456 1 2 . 1 1 145 145 THR CA C 145 64.659 64.659 65.198 -0.539 18726 1457 1 2 . 1 1 145 145 THR CB C 145 69.138 69.138 68.610 0.528 18726 1458 1 2 . 1 1 145 145 THR H H 145 7.985 7.985 7.730 0.255 18726 1459 1 2 . 1 1 146 146 SER N N 146 113.986 113.986 119.074 -5.088 18726 1460 1 2 . 1 1 146 146 SER HA H 146 4.393 4.393 4.222 0.171 18726 1461 1 2 . 1 1 146 146 SER CA C 146 60.975 60.975 61.836 -0.861 18726 1462 1 2 . 1 1 146 146 SER CB C 146 63.847 63.847 63.359 0.488 18726 1463 1 2 . 1 1 146 146 SER H H 146 7.802 7.802 8.321 -0.519 18726 1464 1 2 . 1 1 147 147 THR N N 147 109.308 109.308 113.076 -3.768 18726 1465 1 2 . 1 1 147 147 THR HA H 147 4.405 4.405 4.496 -0.091 18726 1466 1 2 . 1 1 147 147 THR CA C 147 61.259 61.259 61.041 0.218 18726 1467 1 2 . 1 1 147 147 THR CB C 147 69.556 69.556 68.923 0.633 18726 1468 1 2 . 1 1 147 147 THR H H 147 7.206 7.206 7.625 -0.419 18726 1469 1 2 . 1 1 148 148 PHE N N 148 122.746 122.746 124.049 -1.303 18726 1470 1 2 . 1 1 148 148 PHE HA H 148 4.441 4.441 4.812 -0.371 18726 1471 1 2 . 1 1 148 148 PHE CA C 148 58.913 58.913 56.816 2.097 18726 1472 1 2 . 1 1 148 148 PHE CB C 148 39.952 39.952 41.142 -1.190 18726 1473 1 2 . 1 1 148 148 PHE H H 148 7.299 7.299 7.818 -0.519 18726 1474 1 2 . 1 1 149 149 VAL N N 149 124.892 124.892 128.695 -3.803 18726 1475 1 2 . 1 1 149 149 VAL HA H 149 3.938 3.938 4.031 -0.093 18726 1476 1 2 . 1 1 149 149 VAL CA C 149 61.233 61.233 59.453 1.780 18726 1477 1 2 . 1 1 149 149 VAL CB C 149 34.410 34.410 35.028 -0.618 18726 1478 1 2 . 1 1 149 149 VAL H H 149 7.759 7.759 8.483 -0.724 18726 1479 1 2 . 1 1 150 150 ILE N N 150 124.892 124.892 128.641 -3.749 18726 1480 1 2 . 1 1 150 150 ILE HA H 150 4.015 4.015 4.038 -0.023 18726 1481 1 2 . 1 1 150 150 ILE CA C 150 60.655 60.655 61.503 -0.848 18726 1482 1 2 . 1 1 150 150 ILE CB C 150 38.755 38.755 36.854 1.901 18726 1483 1 2 . 1 1 150 150 ILE H H 150 8.120 8.120 8.338 -0.218 18726 1484 1 2 . 1 1 151 151 SER N N 151 121.942 121.942 117.431 4.511 18726 1485 1 2 . 1 1 151 151 SER HA H 151 4.483 4.483 4.124 0.359 18726 1486 1 2 . 1 1 151 151 SER CA C 151 58.136 58.136 59.574 -1.438 18726 1487 1 2 . 1 1 151 151 SER CB C 151 64.264 64.264 61.886 2.378 18726 1488 1 2 . 1 1 151 151 SER H H 151 8.746 8.746 8.889 -0.143 18726 1489 1 2 . 1 1 152 152 SER HA H 152 4.453 4.453 4.034 0.419 18726 1490 1 2 . 1 1 152 152 SER CA C 152 58.481 58.481 59.356 -0.875 18726 1491 1 2 . 1 1 152 152 SER CB C 152 64.188 64.188 62.784 1.404 18726 1492 1 2 . 1 1 153 153 GLN N N 153 122.081 122.081 117.754 4.327 18726 1493 1 2 . 1 1 153 153 GLN HA H 153 4.325 4.325 3.924 0.401 18726 1494 1 2 . 1 1 153 153 GLN CA C 153 56.104 56.104 57.820 -1.716 18726 1495 1 2 . 1 1 153 153 GLN CB C 153 29.322 29.322 28.600 0.722 18726 1496 1 2 . 1 1 153 153 GLN H H 153 8.404 8.404 7.737 0.667 18726 1497 1 2 . 1 1 154 154 THR HA H 154 4.345 4.345 3.909 0.436 18726 1498 1 2 . 1 1 154 154 THR CA C 154 62.036 62.036 63.119 -1.083 18726 1499 1 2 . 1 1 154 154 THR CB C 154 69.806 69.806 68.241 1.565 18726 1500 1 2 . 1 1 155 155 SER N N 155 118.158 118.158 114.728 3.430 18726 1501 1 2 . 1 1 155 155 SER HA H 155 4.465 4.465 4.628 -0.163 18726 1502 1 2 . 1 1 155 155 SER CA C 155 58.447 58.447 57.755 0.692 18726 1503 1 2 . 1 1 155 155 SER CB C 155 64.069 64.069 63.886 0.183 18726 1504 1 2 . 1 1 155 155 SER H H 155 8.275 8.275 8.204 0.071 18726 1505 1 2 . 1 1 156 156 VAL N N 156 121.614 121.614 121.350 0.264 18726 1506 1 2 . 1 1 156 156 VAL HA H 156 4.094 4.094 4.364 -0.270 18726 1507 1 2 . 1 1 156 156 VAL CA C 156 62.553 62.553 61.551 1.002 18726 1508 1 2 . 1 1 156 156 VAL CB C 156 32.823 32.823 32.580 0.243 18726 1509 1 2 . 1 1 156 156 VAL H H 156 8.103 8.103 7.710 0.393 18726 1510 1 2 . 1 1 157 157 GLN N N 157 123.938 123.938 124.085 -0.147 18726 1511 1 2 . 1 1 157 157 GLN HA H 157 4.310 4.310 4.445 -0.135 18726 1512 1 2 . 1 1 157 157 GLN CA C 157 55.867 55.867 55.346 0.521 18726 1513 1 2 . 1 1 157 157 GLN CB C 157 29.370 29.370 29.406 -0.036 18726 1514 1 2 . 1 1 157 157 GLN H H 157 8.371 8.371 8.247 0.124 18726 1515 1 2 . 1 1 158 158 MET N N 158 122.300 122.300 119.647 2.653 18726 1516 1 2 . 1 1 158 158 MET HA H 158 4.470 4.470 4.169 0.301 18726 1517 1 2 . 1 1 158 158 MET CA C 158 55.720 55.720 55.448 0.272 18726 1518 1 2 . 1 1 158 158 MET CB C 158 32.959 32.959 32.282 0.677 18726 1519 1 2 . 1 1 158 158 MET H H 158 8.425 8.425 8.498 -0.073 18726 1520 1 2 . 1 1 159 159 GLY N N 159 110.605 110.605 111.822 -1.217 18726 1521 1 2 . 1 1 159 159 GLY CA C 159 45.689 45.689 45.038 0.651 18726 1522 1 2 . 1 1 159 159 GLY H H 159 8.396 8.396 8.424 -0.028 18726 1523 1 3 . 1 1 1 1 SER HA H 1 4.417 4.417 4.180 0.237 18726 1524 1 3 . 1 1 1 1 SER CA C 1 58.904 58.904 59.583 -0.679 18726 1525 1 3 . 1 1 1 1 SER CB C 1 64.069 64.069 62.305 1.764 18726 1526 1 3 . 1 1 2 2 GLY N N 2 110.955 110.955 106.898 4.057 18726 1527 1 3 . 1 1 2 2 GLY CA C 2 45.689 45.689 44.743 0.946 18726 1528 1 3 . 1 1 2 2 GLY H H 2 8.620 8.620 8.694 -0.074 18726 1529 1 3 . 1 1 3 3 SER N N 3 116.638 116.638 114.250 2.388 18726 1530 1 3 . 1 1 3 3 SER HA H 3 4.495 4.495 3.957 0.538 18726 1531 1 3 . 1 1 3 3 SER CA C 3 58.386 58.386 58.785 -0.399 18726 1532 1 3 . 1 1 3 3 SER CB C 3 64.877 64.877 61.035 3.842 18726 1533 1 3 . 1 1 3 3 SER H H 3 8.459 8.459 7.854 0.605 18726 1534 1 3 . 1 1 4 4 LEU N N 4 123.760 123.760 124.251 -0.491 18726 1535 1 3 . 1 1 4 4 LEU HA H 4 4.094 4.094 4.068 0.026 18726 1536 1 3 . 1 1 4 4 LEU CA C 4 58.973 58.973 57.652 1.321 18726 1537 1 3 . 1 1 4 4 LEU CB C 4 41.594 41.594 41.809 -0.215 18726 1538 1 3 . 1 1 4 4 LEU H H 4 8.700 8.700 8.856 -0.156 18726 1539 1 3 . 1 1 5 5 GLY N N 5 126.963 126.963 104.867 22.096 18726 1540 1 3 . 1 1 5 5 GLY CA C 5 46.887 46.887 47.017 -0.130 18726 1541 1 3 . 1 1 5 5 GLY H H 5 8.814 8.814 8.383 0.431 18726 1542 1 3 . 1 1 6 6 ASP N N 6 125.167 125.167 123.338 1.829 18726 1543 1 3 . 1 1 6 6 ASP HA H 6 4.369 4.369 4.564 -0.195 18726 1544 1 3 . 1 1 6 6 ASP CA C 6 57.972 57.972 56.664 1.308 18726 1545 1 3 . 1 1 6 6 ASP CB C 6 40.957 40.957 40.863 0.094 18726 1546 1 3 . 1 1 6 6 ASP H H 6 8.119 8.119 8.022 0.097 18726 1547 1 3 . 1 1 7 7 GLN N N 7 119.521 119.521 119.495 0.026 18726 1548 1 3 . 1 1 7 7 GLN HA H 7 4.160 4.160 3.947 0.213 18726 1549 1 3 . 1 1 7 7 GLN CA C 7 59.404 59.404 59.143 0.261 18726 1550 1 3 . 1 1 7 7 GLN CB C 7 29.199 29.199 28.983 0.216 18726 1551 1 3 . 1 1 7 7 GLN H H 7 8.398 8.398 8.166 0.232 18726 1552 1 3 . 1 1 8 8 LEU N N 8 121.234 121.234 119.858 1.376 18726 1553 1 3 . 1 1 8 8 LEU HA H 8 3.801 3.801 3.815 -0.014 18726 1554 1 3 . 1 1 8 8 LEU CA C 8 57.722 57.722 58.092 -0.370 18726 1555 1 3 . 1 1 8 8 LEU CB C 8 42.403 42.403 41.365 1.038 18726 1556 1 3 . 1 1 8 8 LEU H H 8 9.087 9.087 8.307 0.780 18726 1557 1 3 . 1 1 9 9 THR N N 9 116.094 116.094 112.835 3.259 18726 1558 1 3 . 1 1 9 9 THR HA H 9 3.513 3.513 3.919 -0.406 18726 1559 1 3 . 1 1 9 9 THR CA C 9 68.886 68.886 66.275 2.611 18726 1560 1 3 . 1 1 9 9 THR CB C 9 67.968 67.968 68.423 -0.455 18726 1561 1 3 . 1 1 9 9 THR H H 9 8.188 8.188 8.034 0.154 18726 1562 1 3 . 1 1 10 10 SER N N 10 115.044 115.044 118.670 -3.626 18726 1563 1 3 . 1 1 10 10 SER HA H 10 4.154 4.154 4.053 0.101 18726 1564 1 3 . 1 1 10 10 SER CA C 10 61.898 61.898 62.896 -0.998 18726 1565 1 3 . 1 1 10 10 SER CB C 10 62.900 62.900 63.064 -0.164 18726 1566 1 3 . 1 1 10 10 SER H H 10 7.801 7.801 8.566 -0.765 18726 1567 1 3 . 1 1 11 11 THR N N 11 119.022 119.022 118.832 0.190 18726 1568 1 3 . 1 1 11 11 THR HA H 11 3.920 3.920 3.966 -0.046 18726 1569 1 3 . 1 1 11 11 THR CA C 11 67.747 67.747 66.756 0.991 18726 1570 1 3 . 1 1 11 11 THR CB C 11 68.804 68.804 68.624 0.181 18726 1571 1 3 . 1 1 11 11 THR H H 11 8.147 8.147 8.025 0.122 18726 1572 1 3 . 1 1 12 12 LEU N N 12 120.609 120.609 122.584 -1.975 18726 1573 1 3 . 1 1 12 12 LEU HA H 12 3.890 3.890 3.889 0.001 18726 1574 1 3 . 1 1 12 12 LEU CA C 12 58.265 58.265 58.166 0.099 18726 1575 1 3 . 1 1 12 12 LEU CB C 12 42.598 42.598 41.490 1.108 18726 1576 1 3 . 1 1 12 12 LEU H H 12 8.368 8.368 8.445 -0.077 18726 1577 1 3 . 1 1 13 13 ALA N N 13 119.231 119.231 120.451 -1.220 18726 1578 1 3 . 1 1 13 13 ALA HA H 13 3.816 3.816 3.983 -0.167 18726 1579 1 3 . 1 1 13 13 ALA CA C 13 55.729 55.729 54.978 0.751 18726 1580 1 3 . 1 1 13 13 ALA CB C 13 17.422 17.422 18.075 -0.653 18726 1581 1 3 . 1 1 13 13 ALA H H 13 8.755 8.755 8.643 0.112 18726 1582 1 3 . 1 1 14 14 SER N N 14 116.251 116.251 115.807 0.444 18726 1583 1 3 . 1 1 14 14 SER HA H 14 4.052 4.052 4.076 -0.024 18726 1584 1 3 . 1 1 14 14 SER CA C 14 62.079 62.079 62.353 -0.274 18726 1585 1 3 . 1 1 14 14 SER CB C 14 63.111 63.111 62.993 0.117 18726 1586 1 3 . 1 1 14 14 SER H H 14 8.318 8.318 7.723 0.595 18726 1587 1 3 . 1 1 15 15 ALA N N 15 121.629 121.629 123.573 -1.944 18726 1588 1 3 . 1 1 15 15 ALA HA H 15 4.166 4.166 4.077 0.089 18726 1589 1 3 . 1 1 15 15 ALA CA C 15 54.918 54.918 54.717 0.201 18726 1590 1 3 . 1 1 15 15 ALA CB C 15 18.397 18.397 18.573 -0.176 18726 1591 1 3 . 1 1 15 15 ALA H H 15 7.943 7.943 8.174 -0.231 18726 1592 1 3 . 1 1 16 16 LEU N N 16 112.541 112.541 118.338 -5.797 18726 1593 1 3 . 1 1 16 16 LEU HA H 16 3.885 3.885 4.081 -0.196 18726 1594 1 3 . 1 1 16 16 LEU CA C 16 57.731 57.731 57.104 0.627 18726 1595 1 3 . 1 1 16 16 LEU CB C 16 42.208 42.208 41.634 0.574 18726 1596 1 3 . 1 1 16 16 LEU H H 16 8.083 8.083 8.204 -0.121 18726 1597 1 3 . 1 1 17 17 THR N N 17 116.527 116.527 113.659 2.868 18726 1598 1 3 . 1 1 17 17 THR HA H 17 3.388 3.388 4.127 -0.739 18726 1599 1 3 . 1 1 17 17 THR CA C 17 67.972 67.972 65.778 2.195 18726 1600 1 3 . 1 1 17 17 THR CB C 17 68.860 68.860 68.896 -0.036 18726 1601 1 3 . 1 1 17 17 THR H H 17 8.044 8.044 7.808 0.236 18726 1602 1 3 . 1 1 18 18 LYS N N 18 115.841 115.841 118.023 -2.182 18726 1603 1 3 . 1 1 18 18 LYS HA H 18 4.142 4.142 4.526 -0.384 18726 1604 1 3 . 1 1 18 18 LYS CA C 18 56.859 56.859 55.019 1.840 18726 1605 1 3 . 1 1 18 18 LYS CB C 18 34.271 34.271 32.711 1.560 18726 1606 1 3 . 1 1 18 18 LYS H H 18 6.810 6.810 7.422 -0.612 18726 1607 1 3 . 1 1 19 19 THR N N 19 108.482 108.482 113.248 -4.766 18726 1608 1 3 . 1 1 19 19 THR HA H 19 4.088 4.088 4.917 -0.829 18726 1609 1 3 . 1 1 19 19 THR CA C 19 61.656 61.656 60.049 1.607 18726 1610 1 3 . 1 1 19 19 THR CB C 19 70.168 70.168 71.846 -1.678 18726 1611 1 3 . 1 1 19 19 THR H H 19 7.419 7.419 7.246 0.173 18726 1612 1 3 . 1 1 20 20 ASN N N 20 126.031 126.031 125.020 1.011 18726 1613 1 3 . 1 1 20 20 ASN HA H 20 4.304 4.304 4.369 -0.065 18726 1614 1 3 . 1 1 20 20 ASN CA C 20 57.247 57.247 56.380 0.867 18726 1615 1 3 . 1 1 20 20 ASN CB C 20 39.033 39.033 37.691 1.343 18726 1616 1 3 . 1 1 20 20 ASN H H 20 11.715 11.715 8.954 2.761 18726 1617 1 3 . 1 1 21 21 THR N N 21 119.223 119.223 115.970 3.253 18726 1618 1 3 . 1 1 21 21 THR HA H 21 3.723 3.723 4.063 -0.340 18726 1619 1 3 . 1 1 21 21 THR CA C 21 68.803 68.803 65.912 2.891 18726 1620 1 3 . 1 1 21 21 THR CB C 21 70.168 70.168 68.786 1.382 18726 1621 1 3 . 1 1 21 21 THR H H 21 10.495 10.495 8.888 1.607 18726 1622 1 3 . 1 1 22 22 LEU N N 22 119.484 119.484 119.296 0.188 18726 1623 1 3 . 1 1 22 22 LEU HA H 22 3.920 3.920 4.520 -0.600 18726 1624 1 3 . 1 1 22 22 LEU CA C 22 57.360 57.360 56.000 1.360 18726 1625 1 3 . 1 1 22 22 LEU CB C 22 40.983 40.983 42.523 -1.540 18726 1626 1 3 . 1 1 22 22 LEU H H 22 7.908 7.908 8.189 -0.281 18726 1627 1 3 . 1 1 23 23 LYS N N 23 121.033 121.033 120.406 0.627 18726 1628 1 3 . 1 1 23 23 LYS HA H 23 3.843 3.843 3.978 -0.135 18726 1629 1 3 . 1 1 23 23 LYS CA C 23 61.078 61.078 60.015 1.063 18726 1630 1 3 . 1 1 23 23 LYS CB C 23 32.210 32.210 32.160 0.050 18726 1631 1 3 . 1 1 23 23 LYS H H 23 7.968 7.968 8.526 -0.558 18726 1632 1 3 . 1 1 24 24 ALA N N 24 121.376 121.376 121.850 -0.474 18726 1633 1 3 . 1 1 24 24 ALA HA H 24 4.118 4.118 4.105 0.013 18726 1634 1 3 . 1 1 24 24 ALA CA C 24 54.892 54.892 55.341 -0.449 18726 1635 1 3 . 1 1 24 24 ALA CB C 24 18.564 18.564 18.295 0.269 18726 1636 1 3 . 1 1 24 24 ALA H H 24 8.239 8.239 8.345 -0.106 18726 1637 1 3 . 1 1 25 25 VAL N N 25 118.009 118.009 113.414 4.595 18726 1638 1 3 . 1 1 25 25 VAL HA H 25 3.244 3.244 3.559 -0.315 18726 1639 1 3 . 1 1 25 25 VAL CA C 25 67.420 67.420 65.396 2.024 18726 1640 1 3 . 1 1 25 25 VAL CB C 25 31.904 31.904 31.623 0.281 18726 1641 1 3 . 1 1 25 25 VAL H H 25 7.972 7.972 7.580 0.392 18726 1642 1 3 . 1 1 26 26 SER N N 26 113.107 113.107 116.554 -3.447 18726 1643 1 3 . 1 1 26 26 SER HA H 26 3.645 3.645 3.942 -0.297 18726 1644 1 3 . 1 1 26 26 SER CA C 26 62.157 62.157 61.332 0.825 18726 1645 1 3 . 1 1 26 26 SER CB C 26 63.206 63.206 63.255 -0.049 18726 1646 1 3 . 1 1 26 26 SER H H 26 8.092 8.092 7.995 0.097 18726 1647 1 3 . 1 1 27 27 ALA N N 27 122.069 122.069 122.657 -0.588 18726 1648 1 3 . 1 1 27 27 ALA HA H 27 4.178 4.178 4.206 -0.028 18726 1649 1 3 . 1 1 27 27 ALA CA C 27 54.504 54.504 54.388 0.116 18726 1650 1 3 . 1 1 27 27 ALA CB C 27 18.676 18.676 18.057 0.619 18726 1651 1 3 . 1 1 27 27 ALA H H 27 8.224 8.224 8.104 0.120 18726 1652 1 3 . 1 1 28 28 SER N N 28 111.990 111.990 112.219 -0.229 18726 1653 1 3 . 1 1 28 28 SER HA H 28 4.298 4.298 4.283 0.015 18726 1654 1 3 . 1 1 28 28 SER CA C 28 60.051 60.051 58.053 1.998 18726 1655 1 3 . 1 1 28 28 SER CB C 28 64.376 64.376 63.314 1.062 18726 1656 1 3 . 1 1 28 28 SER H H 28 7.441 7.441 7.534 -0.093 18726 1657 1 3 . 1 1 29 29 LYS N N 29 116.653 116.653 118.476 -1.823 18726 1658 1 3 . 1 1 29 29 LYS HA H 29 4.010 4.010 4.078 -0.068 18726 1659 1 3 . 1 1 29 29 LYS CA C 29 56.859 56.859 56.463 0.396 18726 1660 1 3 . 1 1 29 29 LYS CB C 29 30.957 30.957 30.209 0.748 18726 1661 1 3 . 1 1 29 29 LYS H H 29 7.725 7.725 7.518 0.207 18726 1662 1 3 . 1 1 30 30 PRO HA H 30 4.501 4.501 4.301 0.200 18726 1663 1 3 . 1 1 30 30 PRO CA C 30 62.709 62.709 63.935 -1.226 18726 1664 1 3 . 1 1 30 30 PRO CB C 30 30.906 30.906 32.413 -1.508 18726 1665 1 3 . 1 1 31 31 SER N N 31 115.595 115.595 111.102 4.493 18726 1666 1 3 . 1 1 31 31 SER HA H 31 4.286 4.286 4.507 -0.221 18726 1667 1 3 . 1 1 31 31 SER CA C 31 57.739 57.739 57.420 0.319 18726 1668 1 3 . 1 1 31 31 SER CB C 31 64.515 64.515 64.514 0.001 18726 1669 1 3 . 1 1 31 31 SER H H 31 8.349 8.349 7.781 0.568 18726 1670 1 3 . 1 1 32 32 ALA N N 32 124.266 124.266 125.606 -1.340 18726 1671 1 3 . 1 1 32 32 ALA HA H 32 4.351 4.351 4.095 0.256 18726 1672 1 3 . 1 1 32 32 ALA CA C 32 55.772 55.772 54.289 1.483 18726 1673 1 3 . 1 1 32 32 ALA CB C 32 18.954 18.954 18.717 0.237 18726 1674 1 3 . 1 1 32 32 ALA H H 32 9.039 9.039 8.845 0.194 18726 1675 1 3 . 1 1 33 33 ASN N N 33 111.722 111.722 117.145 -5.423 18726 1676 1 3 . 1 1 33 33 ASN HA H 33 4.274 4.274 4.498 -0.224 18726 1677 1 3 . 1 1 33 33 ASN CA C 33 56.402 56.402 55.776 0.626 18726 1678 1 3 . 1 1 33 33 ASN CB C 33 37.780 37.780 37.469 0.311 18726 1679 1 3 . 1 1 33 33 ASN H H 33 8.301 8.301 8.690 -0.389 18726 1680 1 3 . 1 1 34 34 VAL N N 34 123.804 123.804 116.955 6.849 18726 1681 1 3 . 1 1 34 34 VAL HA H 34 3.166 3.166 3.692 -0.526 18726 1682 1 3 . 1 1 34 34 VAL CA C 34 66.634 66.634 64.614 2.020 18726 1683 1 3 . 1 1 34 34 VAL CB C 34 31.347 31.347 30.864 0.483 18726 1684 1 3 . 1 1 34 34 VAL H H 34 7.376 7.376 7.186 0.190 18726 1685 1 3 . 1 1 35 35 ALA N N 35 122.314 122.314 123.262 -0.948 18726 1686 1 3 . 1 1 35 35 ALA HA H 35 3.591 3.591 3.869 -0.278 18726 1687 1 3 . 1 1 35 35 ALA CA C 35 56.255 56.255 55.429 0.826 18726 1688 1 3 . 1 1 35 35 ALA CB C 35 18.063 18.063 18.357 -0.294 18726 1689 1 3 . 1 1 35 35 ALA H H 35 8.558 8.558 8.397 0.161 18726 1690 1 3 . 1 1 36 36 VAL N N 36 115.595 115.595 117.958 -2.363 18726 1691 1 3 . 1 1 36 36 VAL HA H 36 3.316 3.316 3.694 -0.378 18726 1692 1 3 . 1 1 36 36 VAL CA C 36 67.756 67.756 66.582 1.174 18726 1693 1 3 . 1 1 36 36 VAL CB C 36 32.099 32.099 31.218 0.881 18726 1694 1 3 . 1 1 36 36 VAL H H 36 8.507 8.507 7.551 0.956 18726 1695 1 3 . 1 1 37 37 ALA N N 37 126.247 126.247 123.652 2.595 18726 1696 1 3 . 1 1 37 37 ALA HA H 37 4.040 4.040 4.231 -0.191 18726 1697 1 3 . 1 1 37 37 ALA CA C 37 56.048 56.048 54.912 1.136 18726 1698 1 3 . 1 1 37 37 ALA CB C 37 18.091 18.091 18.625 -0.534 18726 1699 1 3 . 1 1 37 37 ALA H H 37 7.801 7.801 7.319 0.482 18726 1700 1 3 . 1 1 38 38 ILE N N 38 118.344 118.344 119.056 -0.712 18726 1701 1 3 . 1 1 38 38 ILE HA H 38 3.561 3.561 3.775 -0.214 18726 1702 1 3 . 1 1 38 38 ILE CA C 38 66.263 66.263 65.761 0.502 18726 1703 1 3 . 1 1 38 38 ILE CB C 38 39.395 39.395 38.226 1.169 18726 1704 1 3 . 1 1 38 38 ILE H H 38 8.305 8.305 8.131 0.174 18726 1705 1 3 . 1 1 39 39 VAL N N 39 117.264 117.264 120.150 -2.886 18726 1706 1 3 . 1 1 39 39 VAL HA H 39 3.573 3.573 3.677 -0.104 18726 1707 1 3 . 1 1 39 39 VAL CA C 39 67.074 67.074 66.257 0.817 18726 1708 1 3 . 1 1 39 39 VAL CB C 39 32.127 32.127 31.859 0.268 18726 1709 1 3 . 1 1 39 39 VAL H H 39 8.331 8.331 8.214 0.117 18726 1710 1 3 . 1 1 40 40 THR N N 40 112.303 112.303 114.844 -2.541 18726 1711 1 3 . 1 1 40 40 THR HA H 40 3.831 3.831 3.917 -0.086 18726 1712 1 3 . 1 1 40 40 THR CA C 40 67.152 67.152 66.570 0.582 18726 1713 1 3 . 1 1 40 40 THR CB C 40 68.776 68.776 68.430 0.346 18726 1714 1 3 . 1 1 40 40 THR H H 40 9.029 9.029 8.318 0.711 18726 1715 1 3 . 1 1 41 41 SER N N 41 117.085 117.085 118.798 -1.713 18726 1716 1 3 . 1 1 41 41 SER HA H 41 4.274 4.274 4.121 0.153 18726 1717 1 3 . 1 1 41 41 SER CA C 41 62.182 62.182 62.847 -0.665 18726 1718 1 3 . 1 1 41 41 SER CB C 41 63.067 63.067 62.865 0.202 18726 1719 1 3 . 1 1 41 41 SER H H 41 7.599 7.599 7.829 -0.230 18726 1720 1 3 . 1 1 42 42 GLY N N 42 107.258 107.258 109.160 -1.902 18726 1721 1 3 . 1 1 42 42 GLY CA C 42 47.917 47.917 46.719 1.198 18726 1722 1 3 . 1 1 42 42 GLY H H 42 7.599 7.599 7.624 -0.025 18726 1723 1 3 . 1 1 43 43 LEU N N 43 122.262 122.262 122.825 -0.563 18726 1724 1 3 . 1 1 43 43 LEU HA H 43 3.914 3.914 3.918 -0.004 18726 1725 1 3 . 1 1 43 43 LEU CA C 43 57.782 57.782 57.865 -0.083 18726 1726 1 3 . 1 1 43 43 LEU CB C 43 42.876 42.876 41.790 1.086 18726 1727 1 3 . 1 1 43 43 LEU H H 43 8.595 8.595 8.249 0.346 18726 1728 1 3 . 1 1 44 44 LYS N N 44 118.851 118.851 118.856 -0.005 18726 1729 1 3 . 1 1 44 44 LYS HA H 44 3.855 3.855 3.944 -0.089 18726 1730 1 3 . 1 1 44 44 LYS CA C 44 60.604 60.604 60.158 0.446 18726 1731 1 3 . 1 1 44 44 LYS CB C 44 32.322 32.322 32.093 0.229 18726 1732 1 3 . 1 1 44 44 LYS H H 44 8.589 8.589 8.360 0.229 18726 1733 1 3 . 1 1 45 45 LYS N N 45 118.322 118.322 119.982 -1.660 18726 1734 1 3 . 1 1 45 45 LYS HA H 45 4.160 4.160 4.051 0.109 18726 1735 1 3 . 1 1 45 45 LYS CA C 45 58.326 58.326 58.883 -0.557 18726 1736 1 3 . 1 1 45 45 LYS CB C 45 32.492 32.492 32.242 0.250 18726 1737 1 3 . 1 1 45 45 LYS H H 45 7.189 7.189 7.686 -0.497 18726 1738 1 3 . 1 1 46 46 ALA N N 46 121.301 121.301 122.179 -0.878 18726 1739 1 3 . 1 1 46 46 ALA HA H 46 3.831 3.831 4.091 -0.260 18726 1740 1 3 . 1 1 46 46 ALA CA C 46 55.539 55.539 55.019 0.520 18726 1741 1 3 . 1 1 46 46 ALA CB C 46 20.152 20.152 18.511 1.641 18726 1742 1 3 . 1 1 46 46 ALA H H 46 8.060 8.060 8.033 0.027 18726 1743 1 3 . 1 1 47 47 LEU N N 47 116.206 116.206 117.144 -0.938 18726 1744 1 3 . 1 1 47 47 LEU HA H 47 3.902 3.902 4.009 -0.107 18726 1745 1 3 . 1 1 47 47 LEU CA C 47 57.929 57.929 57.373 0.556 18726 1746 1 3 . 1 1 47 47 LEU CB C 47 40.426 40.426 41.622 -1.196 18726 1747 1 3 . 1 1 47 47 LEU H H 47 9.045 9.045 8.308 0.737 18726 1748 1 3 . 1 1 48 48 GLY N N 48 106.001 106.001 106.699 -0.698 18726 1749 1 3 . 1 1 48 48 GLY CA C 48 46.859 46.859 46.861 -0.002 18726 1750 1 3 . 1 1 48 48 GLY H H 48 7.739 7.739 8.228 -0.489 18726 1751 1 3 . 1 1 49 49 ALA N N 49 125.570 125.570 123.878 1.692 18726 1752 1 3 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.338 -0.160 18726 1753 1 3 . 1 1 49 49 ALA CA C 49 54.573 54.573 53.949 0.624 18726 1754 1 3 . 1 1 49 49 ALA CB C 49 18.369 18.369 18.803 -0.434 18726 1755 1 3 . 1 1 49 49 ALA H H 49 7.763 7.763 7.859 -0.096 18726 1756 1 3 . 1 1 50 50 LEU N N 50 116.176 116.176 116.666 -0.490 18726 1757 1 3 . 1 1 50 50 LEU HA H 50 4.178 4.178 4.384 -0.206 18726 1758 1 3 . 1 1 50 50 LEU CA C 50 54.961 54.961 53.772 1.189 18726 1759 1 3 . 1 1 50 50 LEU CB C 50 44.213 44.213 41.848 2.365 18726 1760 1 3 . 1 1 50 50 LEU H H 50 7.519 7.519 7.188 0.331 18726 1761 1 3 . 1 1 51 51 ARG N N 51 115.327 115.327 116.041 -0.714 18726 1762 1 3 . 1 1 51 51 ARG HA H 51 3.920 3.920 3.910 0.010 18726 1763 1 3 . 1 1 51 51 ARG CA C 51 56.894 56.894 56.871 0.023 18726 1764 1 3 . 1 1 51 51 ARG CB C 51 27.559 27.559 27.165 0.394 18726 1765 1 3 . 1 1 51 51 ARG H H 51 7.782 7.782 7.444 0.338 18726 1766 1 3 . 1 1 52 52 ILE N N 52 118.612 118.612 118.911 -0.299 18726 1767 1 3 . 1 1 52 52 ILE HA H 52 4.052 4.052 4.075 -0.023 18726 1768 1 3 . 1 1 52 52 ILE CA C 52 59.465 59.465 58.951 0.514 18726 1769 1 3 . 1 1 52 52 ILE CB C 52 36.778 36.778 37.801 -1.023 18726 1770 1 3 . 1 1 52 52 ILE H H 52 7.381 7.381 8.069 -0.688 18726 1771 1 3 . 1 1 53 53 ASN N N 53 124.728 124.728 125.381 -0.653 18726 1772 1 3 . 1 1 53 53 ASN HA H 53 4.435 4.435 4.541 -0.106 18726 1773 1 3 . 1 1 53 53 ASN CA C 53 54.219 54.219 53.782 0.437 18726 1774 1 3 . 1 1 53 53 ASN CB C 53 39.897 39.897 40.111 -0.214 18726 1775 1 3 . 1 1 53 53 ASN H H 53 8.503 8.503 8.406 0.097 18726 1776 1 3 . 1 1 54 54 ALA HA H 54 4.064 4.064 4.225 -0.161 18726 1777 1 3 . 1 1 54 54 ALA CA C 54 55.772 55.772 54.667 1.105 18726 1778 1 3 . 1 1 54 54 ALA CB C 54 18.926 18.926 18.958 -0.032 18726 1779 1 3 . 1 1 55 55 GLY N N 55 108.675 108.675 107.544 1.131 18726 1780 1 3 . 1 1 55 55 GLY CA C 55 47.165 47.165 46.665 0.500 18726 1781 1 3 . 1 1 55 55 GLY H H 55 8.479 8.479 8.794 -0.315 18726 1782 1 3 . 1 1 56 56 VAL N N 56 124.251 124.251 121.815 2.436 18726 1783 1 3 . 1 1 56 56 VAL HA H 56 3.687 3.687 3.910 -0.223 18726 1784 1 3 . 1 1 56 56 VAL CA C 56 66.160 66.160 64.840 1.321 18726 1785 1 3 . 1 1 56 56 VAL CB C 56 31.598 31.598 31.892 -0.294 18726 1786 1 3 . 1 1 56 56 VAL H H 56 8.035 8.035 7.837 0.198 18726 1787 1 3 . 1 1 57 57 SER N N 57 115.290 115.290 115.334 -0.044 18726 1788 1 3 . 1 1 57 57 SER HA H 57 3.992 3.992 4.148 -0.156 18726 1789 1 3 . 1 1 57 57 SER CA C 57 62.881 62.881 61.491 1.390 18726 1790 1 3 . 1 1 57 57 SER CB C 57 62.733 62.733 62.175 0.558 18726 1791 1 3 . 1 1 57 57 SER H H 57 8.551 8.551 8.528 0.022 18726 1792 1 3 . 1 1 58 58 SER N N 58 117.711 117.711 118.174 -0.463 18726 1793 1 3 . 1 1 58 58 SER HA H 58 4.238 4.238 4.370 -0.132 18726 1794 1 3 . 1 1 58 58 SER CA C 58 61.656 61.656 60.785 0.871 18726 1795 1 3 . 1 1 58 58 SER CB C 58 62.800 62.800 63.111 -0.311 18726 1796 1 3 . 1 1 58 58 SER H H 58 8.176 8.176 7.816 0.360 18726 1797 1 3 . 1 1 59 59 GLN N N 59 122.746 122.746 121.573 1.173 18726 1798 1 3 . 1 1 59 59 GLN HA H 59 4.046 4.046 4.150 -0.104 18726 1799 1 3 . 1 1 59 59 GLN CA C 59 59.249 59.249 58.209 1.040 18726 1800 1 3 . 1 1 59 59 GLN CB C 59 28.980 28.980 28.411 0.569 18726 1801 1 3 . 1 1 59 59 GLN H H 59 7.737 7.737 7.585 0.152 18726 1802 1 3 . 1 1 60 60 LEU N N 60 121.748 121.748 121.644 0.104 18726 1803 1 3 . 1 1 60 60 LEU HA H 60 3.980 3.980 4.116 -0.136 18726 1804 1 3 . 1 1 60 60 LEU CA C 60 60.483 60.483 58.203 2.280 18726 1805 1 3 . 1 1 60 60 LEU CB C 60 43.378 43.378 42.244 1.134 18726 1806 1 3 . 1 1 60 60 LEU H H 60 8.804 8.804 8.173 0.631 18726 1807 1 3 . 1 1 61 61 THR N N 61 114.366 114.366 113.573 0.793 18726 1808 1 3 . 1 1 61 61 THR HA H 61 3.675 3.675 4.022 -0.347 18726 1809 1 3 . 1 1 61 61 THR CA C 61 67.713 67.713 66.303 1.410 18726 1810 1 3 . 1 1 61 61 THR CB C 61 67.968 67.968 68.487 -0.519 18726 1811 1 3 . 1 1 61 61 THR H H 61 8.654 8.654 7.728 0.926 18726 1812 1 3 . 1 1 62 62 SER N N 62 119.141 119.141 119.831 -0.690 18726 1813 1 3 . 1 1 62 62 SER HA H 62 4.232 4.232 4.312 -0.080 18726 1814 1 3 . 1 1 62 62 SER CA C 62 62.217 62.217 62.047 0.170 18726 1815 1 3 . 1 1 62 62 SER CB C 62 62.900 62.900 62.965 -0.065 18726 1816 1 3 . 1 1 62 62 SER H H 62 8.161 8.161 7.581 0.580 18726 1817 1 3 . 1 1 63 63 ALA N N 63 124.393 124.393 124.739 -0.346 18726 1818 1 3 . 1 1 63 63 ALA HA H 63 4.178 4.178 4.006 0.172 18726 1819 1 3 . 1 1 63 63 ALA CA C 63 55.418 55.418 55.004 0.414 18726 1820 1 3 . 1 1 63 63 ALA CB C 63 19.066 19.066 18.346 0.720 18726 1821 1 3 . 1 1 63 63 ALA H H 63 7.921 7.921 8.018 -0.097 18726 1822 1 3 . 1 1 64 64 VAL N N 64 118.888 118.888 118.866 0.022 18726 1823 1 3 . 1 1 64 64 VAL HA H 64 3.765 3.765 3.749 0.016 18726 1824 1 3 . 1 1 64 64 VAL CA C 64 66.419 66.419 65.681 0.738 18726 1825 1 3 . 1 1 64 64 VAL CB C 64 31.966 31.966 30.945 1.021 18726 1826 1 3 . 1 1 64 64 VAL H H 64 8.548 8.548 8.280 0.268 18726 1827 1 3 . 1 1 65 65 SER N N 65 115.469 115.469 114.963 0.506 18726 1828 1 3 . 1 1 65 65 SER HA H 65 3.920 3.920 4.077 -0.157 18726 1829 1 3 . 1 1 65 65 SER CA C 65 63.235 63.235 62.146 1.089 18726 1830 1 3 . 1 1 65 65 SER CB C 65 63.291 63.291 62.937 0.354 18726 1831 1 3 . 1 1 65 65 SER H H 65 8.360 8.360 8.179 0.181 18726 1832 1 3 . 1 1 66 66 GLN N N 66 118.918 118.918 122.882 -3.964 18726 1833 1 3 . 1 1 66 66 GLN HA H 66 3.938 3.938 4.106 -0.168 18726 1834 1 3 . 1 1 66 66 GLN CA C 66 58.844 58.844 58.597 0.247 18726 1835 1 3 . 1 1 66 66 GLN CB C 66 28.810 28.810 28.498 0.312 18726 1836 1 3 . 1 1 66 66 GLN H H 66 7.676 7.676 7.450 0.226 18726 1837 1 3 . 1 1 67 67 ALA N N 67 120.720 120.720 120.587 0.133 18726 1838 1 3 . 1 1 67 67 ALA HA H 67 4.154 4.154 4.122 0.032 18726 1839 1 3 . 1 1 67 67 ALA CA C 67 55.323 55.323 54.894 0.429 18726 1840 1 3 . 1 1 67 67 ALA CB C 67 19.483 19.483 18.830 0.653 18726 1841 1 3 . 1 1 67 67 ALA H H 67 7.390 7.390 7.812 -0.422 18726 1842 1 3 . 1 1 68 68 VAL N N 68 119.335 119.335 117.087 2.248 18726 1843 1 3 . 1 1 68 68 VAL HA H 68 3.447 3.447 3.693 -0.246 18726 1844 1 3 . 1 1 68 68 VAL CA C 68 66.591 66.591 65.317 1.274 18726 1845 1 3 . 1 1 68 68 VAL CB C 68 31.514 31.514 31.273 0.241 18726 1846 1 3 . 1 1 68 68 VAL H H 68 9.069 9.069 8.058 1.011 18726 1847 1 3 . 1 1 69 69 ALA N N 69 122.568 122.568 119.429 3.139 18726 1848 1 3 . 1 1 69 69 ALA HA H 69 3.962 3.962 4.293 -0.331 18726 1849 1 3 . 1 1 69 69 ALA CA C 69 54.512 54.512 53.560 0.952 18726 1850 1 3 . 1 1 69 69 ALA CB C 69 18.035 18.035 18.421 -0.386 18726 1851 1 3 . 1 1 69 69 ALA H H 69 8.370 8.370 7.800 0.570 18726 1852 1 3 . 1 1 70 70 ASN N N 70 113.242 113.242 116.432 -3.190 18726 1853 1 3 . 1 1 70 70 ASN HA H 70 4.651 4.651 4.762 -0.111 18726 1854 1 3 . 1 1 70 70 ASN CA C 70 52.994 52.994 54.081 -1.087 18726 1855 1 3 . 1 1 70 70 ASN CB C 70 39.897 39.897 39.786 0.111 18726 1856 1 3 . 1 1 70 70 ASN H H 70 6.987 6.987 7.592 -0.605 18726 1857 1 3 . 1 1 71 71 VAL N N 71 122.456 122.456 118.652 3.804 18726 1858 1 3 . 1 1 71 71 VAL HA H 71 3.591 3.591 3.824 -0.233 18726 1859 1 3 . 1 1 71 71 VAL CA C 71 63.037 63.037 62.919 0.118 18726 1860 1 3 . 1 1 71 71 VAL CB C 71 31.598 31.598 32.116 -0.518 18726 1861 1 3 . 1 1 71 71 VAL H H 71 7.284 7.284 7.426 -0.142 18726 1862 1 3 . 1 1 72 72 ARG N N 72 108.757 108.757 116.738 -7.981 18726 1863 1 3 . 1 1 72 72 ARG HA H 72 4.387 4.387 4.064 0.324 18726 1864 1 3 . 1 1 72 72 ARG CA C 72 54.487 54.487 56.245 -1.758 18726 1865 1 3 . 1 1 72 72 ARG CB C 72 29.840 29.840 27.500 2.341 18726 1866 1 3 . 1 1 72 72 ARG H H 72 8.700 8.700 7.568 1.132 18726 1867 1 3 . 1 1 73 73 PRO HA H 73 4.399 4.399 4.614 -0.215 18726 1868 1 3 . 1 1 73 73 PRO CA C 73 64.339 64.339 63.351 0.988 18726 1869 1 3 . 1 1 73 73 PRO CB C 73 32.043 32.043 32.069 -0.026 18726 1870 1 3 . 1 1 74 74 GLY N N 74 111.647 111.647 107.788 3.859 18726 1871 1 3 . 1 1 74 74 GLY CA C 74 45.188 45.188 45.173 0.015 18726 1872 1 3 . 1 1 74 74 GLY H H 74 9.447 9.447 8.880 0.567 18726 1873 1 3 . 1 1 75 75 SER N N 75 116.057 116.057 116.091 -0.034 18726 1874 1 3 . 1 1 75 75 SER HA H 75 4.477 4.477 4.705 -0.228 18726 1875 1 3 . 1 1 75 75 SER CA C 75 60.509 60.509 56.543 3.966 18726 1876 1 3 . 1 1 75 75 SER CB C 75 64.710 64.710 65.454 -0.744 18726 1877 1 3 . 1 1 75 75 SER H H 75 7.600 7.600 7.995 -0.395 18726 1878 1 3 . 1 1 76 76 SER N N 76 118.456 118.456 119.219 -0.763 18726 1879 1 3 . 1 1 76 76 SER HA H 76 4.693 4.693 4.498 0.195 18726 1880 1 3 . 1 1 76 76 SER CA C 76 57.247 57.247 57.588 -0.341 18726 1881 1 3 . 1 1 76 76 SER CB C 76 63.011 63.011 63.634 -0.623 18726 1882 1 3 . 1 1 76 76 SER H H 76 8.726 8.726 8.886 -0.160 18726 1883 1 3 . 1 1 77 77 PRO HA H 77 4.262 4.262 4.421 -0.159 18726 1884 1 3 . 1 1 77 77 PRO CA C 77 66.565 66.565 64.564 2.002 18726 1885 1 3 . 1 1 77 77 PRO CB C 77 32.350 32.350 31.951 0.399 18726 1886 1 3 . 1 1 78 78 ALA N N 78 117.189 117.189 121.451 -4.262 18726 1887 1 3 . 1 1 78 78 ALA HA H 78 4.513 4.513 4.273 0.240 18726 1888 1 3 . 1 1 78 78 ALA CA C 78 54.590 54.590 54.548 0.042 18726 1889 1 3 . 1 1 78 78 ALA CB C 78 18.982 18.982 18.590 0.392 18726 1890 1 3 . 1 1 78 78 ALA H H 78 8.085 8.085 8.322 -0.237 18726 1891 1 3 . 1 1 79 79 VAL N N 79 119.946 119.946 116.181 3.765 18726 1892 1 3 . 1 1 79 79 VAL HA H 79 3.609 3.609 3.755 -0.146 18726 1893 1 3 . 1 1 79 79 VAL CA C 79 66.307 66.307 65.435 0.872 18726 1894 1 3 . 1 1 79 79 VAL CB C 79 31.820 31.820 30.364 1.456 18726 1895 1 3 . 1 1 79 79 VAL H H 79 7.741 7.741 7.516 0.225 18726 1896 1 3 . 1 1 80 80 TYR N N 80 117.577 117.577 120.163 -2.586 18726 1897 1 3 . 1 1 80 80 TYR HA H 80 3.867 3.867 4.051 -0.184 18726 1898 1 3 . 1 1 80 80 TYR CA C 80 63.675 63.675 62.413 1.262 18726 1899 1 3 . 1 1 80 80 TYR CB C 80 39.924 39.924 37.884 2.040 18726 1900 1 3 . 1 1 80 80 TYR H H 80 7.207 7.207 7.495 -0.288 18726 1901 1 3 . 1 1 81 81 ALA N N 81 118.761 118.761 119.319 -0.558 18726 1902 1 3 . 1 1 81 81 ALA HA H 81 3.711 3.711 3.935 -0.224 18726 1903 1 3 . 1 1 81 81 ALA CA C 81 55.781 55.781 54.875 0.906 18726 1904 1 3 . 1 1 81 81 ALA CB C 81 20.792 20.792 18.434 2.358 18726 1905 1 3 . 1 1 81 81 ALA H H 81 8.962 8.962 8.045 0.917 18726 1906 1 3 . 1 1 82 82 LYS N N 82 117.778 117.778 119.544 -1.766 18726 1907 1 3 . 1 1 82 82 LYS HA H 82 3.807 3.807 4.048 -0.241 18726 1908 1 3 . 1 1 82 82 LYS CA C 82 60.155 60.155 59.128 1.027 18726 1909 1 3 . 1 1 82 82 LYS CB C 82 32.322 32.322 32.492 -0.170 18726 1910 1 3 . 1 1 82 82 LYS H H 82 7.727 7.727 7.661 0.066 18726 1911 1 3 . 1 1 83 83 ALA N N 83 120.810 120.810 119.488 1.322 18726 1912 1 3 . 1 1 83 83 ALA HA H 83 4.022 4.022 4.141 -0.119 18726 1913 1 3 . 1 1 83 83 ALA CA C 83 54.366 54.366 54.402 -0.036 18726 1914 1 3 . 1 1 83 83 ALA CB C 83 18.453 18.453 18.766 -0.313 18726 1915 1 3 . 1 1 83 83 ALA H H 83 7.182 7.182 8.108 -0.926 18726 1916 1 3 . 1 1 84 84 ILE N N 84 109.964 109.964 115.801 -5.837 18726 1917 1 3 . 1 1 84 84 ILE HA H 84 3.861 3.861 4.022 -0.161 18726 1918 1 3 . 1 1 84 84 ILE CA C 84 63.373 63.373 62.902 0.471 18726 1919 1 3 . 1 1 84 84 ILE CB C 84 40.342 40.342 38.878 1.464 18726 1920 1 3 . 1 1 84 84 ILE H H 84 7.109 7.109 7.135 -0.026 18726 1921 1 3 . 1 1 85 85 ALA N N 85 120.162 120.162 123.108 -2.946 18726 1922 1 3 . 1 1 85 85 ALA HA H 85 3.777 3.777 4.338 -0.561 18726 1923 1 3 . 1 1 85 85 ALA CA C 85 55.789 55.789 54.687 1.102 18726 1924 1 3 . 1 1 85 85 ALA CB C 85 20.931 20.931 18.176 2.755 18726 1925 1 3 . 1 1 85 85 ALA H H 85 8.770 8.770 7.739 1.031 18726 1926 1 3 . 1 1 86 86 ALA N N 86 116.824 116.824 123.038 -6.214 18726 1927 1 3 . 1 1 86 86 ALA HA H 86 4.310 4.310 4.129 0.181 18726 1928 1 3 . 1 1 86 86 ALA CA C 86 56.756 56.756 56.652 0.104 18726 1929 1 3 . 1 1 86 86 ALA CB C 86 15.417 15.417 16.430 -1.013 18726 1930 1 3 . 1 1 86 86 ALA H H 86 8.513 8.513 8.491 0.022 18726 1931 1 3 . 1 1 87 87 PRO HA H 87 4.405 4.405 4.365 0.040 18726 1932 1 3 . 1 1 87 87 PRO CA C 87 65.185 65.185 65.359 -0.174 18726 1933 1 3 . 1 1 87 87 PRO CB C 87 30.734 30.734 31.174 -0.440 18726 1934 1 3 . 1 1 88 88 SER N N 88 108.653 108.653 114.876 -6.223 18726 1935 1 3 . 1 1 88 88 SER HA H 88 3.861 3.861 4.252 -0.391 18726 1936 1 3 . 1 1 88 88 SER CA C 88 62.735 62.735 62.641 0.094 18726 1937 1 3 . 1 1 88 88 SER CB C 88 63.039 63.039 63.249 -0.210 18726 1938 1 3 . 1 1 88 88 SER H H 88 6.474 6.474 7.840 -1.366 18726 1939 1 3 . 1 1 89 89 VAL N N 89 120.951 120.951 120.151 0.800 18726 1940 1 3 . 1 1 89 89 VAL HA H 89 3.226 3.226 3.742 -0.516 18726 1941 1 3 . 1 1 89 89 VAL CA C 89 67.644 67.644 65.911 1.733 18726 1942 1 3 . 1 1 89 89 VAL CB C 89 30.929 30.929 31.085 -0.157 18726 1943 1 3 . 1 1 89 89 VAL H H 89 8.220 8.220 8.388 -0.168 18726 1944 1 3 . 1 1 90 90 GLN N N 90 117.435 117.435 118.568 -1.133 18726 1945 1 3 . 1 1 90 90 GLN HA H 90 3.873 3.873 3.982 -0.109 18726 1946 1 3 . 1 1 90 90 GLN CA C 90 59.818 59.818 58.897 0.921 18726 1947 1 3 . 1 1 90 90 GLN CB C 90 28.256 28.256 28.371 -0.115 18726 1948 1 3 . 1 1 90 90 GLN H H 90 7.922 7.922 7.954 -0.032 18726 1949 1 3 . 1 1 91 91 ILE N N 91 117.875 117.875 119.484 -1.609 18726 1950 1 3 . 1 1 91 91 ILE HA H 91 4.052 4.052 3.878 0.174 18726 1951 1 3 . 1 1 91 91 ILE CA C 91 63.201 63.201 62.702 0.499 18726 1952 1 3 . 1 1 91 91 ILE CB C 91 37.613 37.613 37.546 0.067 18726 1953 1 3 . 1 1 91 91 ILE H H 91 7.532 7.532 7.385 0.147 18726 1954 1 3 . 1 1 92 92 LEU N N 92 123.357 123.357 120.295 3.062 18726 1955 1 3 . 1 1 92 92 LEU HA H 92 3.807 3.807 3.981 -0.174 18726 1956 1 3 . 1 1 92 92 LEU CA C 92 59.171 59.171 58.343 0.828 18726 1957 1 3 . 1 1 92 92 LEU CB C 92 41.205 41.205 41.906 -0.701 18726 1958 1 3 . 1 1 92 92 LEU H H 92 8.481 8.481 8.101 0.380 18726 1959 1 3 . 1 1 93 93 VAL N N 93 118.180 118.180 118.095 0.085 18726 1960 1 3 . 1 1 93 93 VAL HA H 93 3.873 3.873 3.745 0.128 18726 1961 1 3 . 1 1 93 93 VAL CA C 93 66.496 66.496 65.178 1.318 18726 1962 1 3 . 1 1 93 93 VAL CB C 93 31.765 31.765 31.721 0.044 18726 1963 1 3 . 1 1 93 93 VAL H H 93 8.777 8.777 8.373 0.404 18726 1964 1 3 . 1 1 94 94 SER N N 94 118.471 118.471 114.380 4.091 18726 1965 1 3 . 1 1 94 94 SER HA H 94 4.226 4.226 4.331 -0.105 18726 1966 1 3 . 1 1 94 94 SER CA C 94 62.390 62.390 60.433 1.957 18726 1967 1 3 . 1 1 94 94 SER CB C 94 62.733 62.733 63.372 -0.639 18726 1968 1 3 . 1 1 94 94 SER H H 94 8.660 8.660 7.669 0.991 18726 1969 1 3 . 1 1 95 95 SER N N 95 112.698 112.698 113.971 -1.273 18726 1970 1 3 . 1 1 95 95 SER HA H 95 4.441 4.441 4.572 -0.131 18726 1971 1 3 . 1 1 95 95 SER CA C 95 59.301 59.301 58.293 1.008 18726 1972 1 3 . 1 1 95 95 SER CB C 95 65.935 65.935 64.056 1.879 18726 1973 1 3 . 1 1 95 95 SER H H 95 8.048 8.048 7.383 0.665 18726 1974 1 3 . 1 1 96 96 GLY N N 96 110.277 110.277 109.986 0.291 18726 1975 1 3 . 1 1 96 96 GLY CA C 96 45.968 45.968 45.830 0.138 18726 1976 1 3 . 1 1 96 96 GLY H H 96 7.955 7.955 7.817 0.138 18726 1977 1 3 . 1 1 97 97 SER N N 97 115.595 115.595 115.655 -0.060 18726 1978 1 3 . 1 1 97 97 SER HA H 97 4.292 4.292 4.205 0.087 18726 1979 1 3 . 1 1 97 97 SER CA C 97 61.535 61.535 60.409 1.126 18726 1980 1 3 . 1 1 97 97 SER CB C 97 64.042 64.042 63.647 0.395 18726 1981 1 3 . 1 1 97 97 SER H H 97 8.216 8.216 8.138 0.078 18726 1982 1 3 . 1 1 98 98 VAL N N 98 116.579 116.579 116.005 0.574 18726 1983 1 3 . 1 1 98 98 VAL HA H 98 4.884 4.884 4.378 0.506 18726 1984 1 3 . 1 1 98 98 VAL CA C 98 59.111 59.111 60.142 -1.031 18726 1985 1 3 . 1 1 98 98 VAL CB C 98 35.051 35.051 33.472 1.579 18726 1986 1 3 . 1 1 98 98 VAL H H 98 7.288 7.288 7.211 0.077 18726 1987 1 3 . 1 1 99 99 ASN N N 99 123.722 123.722 123.795 -0.073 18726 1988 1 3 . 1 1 99 99 ASN HA H 99 4.627 4.627 4.854 -0.227 18726 1989 1 3 . 1 1 99 99 ASN CA C 99 51.838 51.838 51.995 -0.157 18726 1990 1 3 . 1 1 99 99 ASN CB C 99 40.676 40.676 40.614 0.062 18726 1991 1 3 . 1 1 99 99 ASN H H 99 9.179 9.179 8.497 0.682 18726 1992 1 3 . 1 1 100 100 ASN N N 100 115.148 115.148 118.370 -3.222 18726 1993 1 3 . 1 1 100 100 ASN HA H 100 4.292 4.292 4.736 -0.444 18726 1994 1 3 . 1 1 100 100 ASN CA C 100 56.894 56.894 53.703 3.191 18726 1995 1 3 . 1 1 100 100 ASN CB C 100 38.281 38.281 37.168 1.113 18726 1996 1 3 . 1 1 100 100 ASN H H 100 8.667 8.667 8.752 -0.085 18726 1997 1 3 . 1 1 101 101 ASN N N 101 115.201 115.201 117.432 -2.231 18726 1998 1 3 . 1 1 101 101 ASN HA H 101 4.711 4.711 4.724 -0.013 18726 1999 1 3 . 1 1 101 101 ASN CA C 101 55.306 55.306 55.209 0.097 18726 2000 1 3 . 1 1 101 101 ASN CB C 101 39.256 39.256 39.709 -0.453 18726 2001 1 3 . 1 1 101 101 ASN H H 101 8.471 8.471 8.369 0.102 18726 2002 1 3 . 1 1 102 102 ASN N N 102 116.780 116.780 118.321 -1.541 18726 2003 1 3 . 1 1 102 102 ASN HA H 102 5.124 5.124 4.908 0.216 18726 2004 1 3 . 1 1 102 102 ASN CA C 102 51.950 51.950 53.517 -1.567 18726 2005 1 3 . 1 1 102 102 ASN CB C 102 39.089 39.089 40.238 -1.149 18726 2006 1 3 . 1 1 102 102 ASN H H 102 7.854 7.854 8.016 -0.162 18726 2007 1 3 . 1 1 103 103 ALA N N 103 121.808 121.808 124.160 -2.352 18726 2008 1 3 . 1 1 103 103 ALA HA H 103 3.747 3.747 3.907 -0.160 18726 2009 1 3 . 1 1 103 103 ALA CA C 103 57.058 57.058 55.944 1.114 18726 2010 1 3 . 1 1 103 103 ALA CB C 103 19.511 19.511 18.561 0.950 18726 2011 1 3 . 1 1 103 103 ALA H H 103 7.447 7.447 7.811 -0.364 18726 2012 1 3 . 1 1 104 104 LYS N N 104 114.873 114.873 117.620 -2.747 18726 2013 1 3 . 1 1 104 104 LYS HA H 104 3.992 3.992 4.060 -0.068 18726 2014 1 3 . 1 1 104 104 LYS CA C 104 60.284 60.284 59.129 1.155 18726 2015 1 3 . 1 1 104 104 LYS CB C 104 32.322 32.322 31.612 0.710 18726 2016 1 3 . 1 1 104 104 LYS H H 104 8.344 8.344 8.622 -0.278 18726 2017 1 3 . 1 1 105 105 GLN N N 105 120.720 120.720 120.304 0.416 18726 2018 1 3 . 1 1 105 105 GLN HA H 105 4.094 4.094 4.147 -0.053 18726 2019 1 3 . 1 1 105 105 GLN CA C 105 59.137 59.137 58.999 0.138 18726 2020 1 3 . 1 1 105 105 GLN CB C 105 28.339 28.339 28.665 -0.326 18726 2021 1 3 . 1 1 105 105 GLN H H 105 7.892 7.892 7.403 0.489 18726 2022 1 3 . 1 1 106 106 VAL N N 106 120.556 120.556 120.577 -0.021 18726 2023 1 3 . 1 1 106 106 VAL HA H 106 3.567 3.567 3.798 -0.231 18726 2024 1 3 . 1 1 106 106 VAL CA C 106 66.496 66.496 64.820 1.676 18726 2025 1 3 . 1 1 106 106 VAL CB C 106 31.848 31.848 31.340 0.508 18726 2026 1 3 . 1 1 106 106 VAL H H 106 8.693 8.693 8.717 -0.024 18726 2027 1 3 . 1 1 107 107 ALA N N 107 119.655 119.655 121.534 -1.879 18726 2028 1 3 . 1 1 107 107 ALA HA H 107 3.813 3.813 3.969 -0.156 18726 2029 1 3 . 1 1 107 107 ALA CA C 107 55.884 55.884 55.418 0.466 18726 2030 1 3 . 1 1 107 107 ALA CB C 107 18.174 18.174 18.022 0.152 18726 2031 1 3 . 1 1 107 107 ALA H H 107 8.750 8.750 8.043 0.707 18726 2032 1 3 . 1 1 108 108 SER N N 108 115.469 115.469 114.250 1.219 18726 2033 1 3 . 1 1 108 108 SER HA H 108 4.304 4.304 4.231 0.073 18726 2034 1 3 . 1 1 108 108 SER CA C 108 61.950 61.950 61.720 0.230 18726 2035 1 3 . 1 1 108 108 SER CB C 108 63.290 63.290 63.245 0.045 18726 2036 1 3 . 1 1 108 108 SER H H 108 8.162 8.162 7.789 0.373 18726 2037 1 3 . 1 1 109 109 THR N N 109 119.201 119.201 119.761 -0.560 18726 2038 1 3 . 1 1 109 109 THR HA H 109 4.052 4.052 4.315 -0.263 18726 2039 1 3 . 1 1 109 109 THR CA C 109 67.195 67.195 66.090 1.105 18726 2040 1 3 . 1 1 109 109 THR CB C 109 68.832 68.832 68.892 -0.060 18726 2041 1 3 . 1 1 109 109 THR H H 109 8.218 8.218 8.085 0.133 18726 2042 1 3 . 1 1 110 110 LEU N N 110 122.329 122.329 123.837 -1.508 18726 2043 1 3 . 1 1 110 110 LEU HA H 110 3.920 3.920 3.934 -0.014 18726 2044 1 3 . 1 1 110 110 LEU CA C 110 59.025 59.025 59.137 -0.112 18726 2045 1 3 . 1 1 110 110 LEU CB C 110 43.211 43.211 41.865 1.346 18726 2046 1 3 . 1 1 110 110 LEU H H 110 9.083 9.083 8.467 0.616 18726 2047 1 3 . 1 1 111 111 SER N N 111 113.018 113.018 113.937 -0.919 18726 2048 1 3 . 1 1 111 111 SER HA H 111 3.747 3.747 4.055 -0.308 18726 2049 1 3 . 1 1 111 111 SER CA C 111 63.848 63.848 62.474 1.374 18726 2050 1 3 . 1 1 111 111 SER CB C 111 63.958 63.958 62.609 1.349 18726 2051 1 3 . 1 1 111 111 SER H H 111 8.052 8.052 7.836 0.216 18726 2052 1 3 . 1 1 112 112 GLU N N 112 122.329 122.329 123.405 -1.076 18726 2053 1 3 . 1 1 112 112 GLU HA H 112 3.741 3.741 3.892 -0.151 18726 2054 1 3 . 1 1 112 112 GLU CA C 112 60.431 60.431 59.731 0.700 18726 2055 1 3 . 1 1 112 112 GLU CB C 112 29.199 29.199 29.535 -0.336 18726 2056 1 3 . 1 1 112 112 GLU H H 112 8.358 8.358 7.882 0.476 18726 2057 1 3 . 1 1 113 113 ASN N N 113 113.629 113.629 118.451 -4.822 18726 2058 1 3 . 1 1 113 113 ASN HA H 113 4.375 4.375 4.502 -0.127 18726 2059 1 3 . 1 1 113 113 ASN CA C 113 57.523 57.523 56.587 0.937 18726 2060 1 3 . 1 1 113 113 ASN CB C 113 40.788 40.788 38.898 1.890 18726 2061 1 3 . 1 1 113 113 ASN H H 113 7.265 7.265 8.336 -1.071 18726 2062 1 3 . 1 1 114 114 LEU N N 114 118.054 118.054 122.707 -4.653 18726 2063 1 3 . 1 1 114 114 LEU HA H 114 3.944 3.944 4.098 -0.154 18726 2064 1 3 . 1 1 114 114 LEU CA C 114 58.619 58.619 58.426 0.193 18726 2065 1 3 . 1 1 114 114 LEU CB C 114 43.489 43.489 42.128 1.361 18726 2066 1 3 . 1 1 114 114 LEU H H 114 8.417 8.417 8.671 -0.254 18726 2067 1 3 . 1 1 115 115 VAL N N 115 115.990 115.990 118.917 -2.927 18726 2068 1 3 . 1 1 115 115 VAL HA H 115 3.561 3.561 3.580 -0.019 18726 2069 1 3 . 1 1 115 115 VAL CA C 115 67.730 67.730 66.975 0.755 18726 2070 1 3 . 1 1 115 115 VAL CB C 115 31.820 31.820 31.248 0.572 18726 2071 1 3 . 1 1 115 115 VAL H H 115 8.051 8.051 8.463 -0.412 18726 2072 1 3 . 1 1 116 116 ARG N N 116 116.541 116.541 120.501 -3.960 18726 2073 1 3 . 1 1 116 116 ARG HA H 116 3.771 3.771 3.894 -0.123 18726 2074 1 3 . 1 1 116 116 ARG CA C 116 60.552 60.552 60.139 0.413 18726 2075 1 3 . 1 1 116 116 ARG CB C 116 30.790 30.790 30.066 0.724 18726 2076 1 3 . 1 1 116 116 ARG H H 116 7.799 7.799 7.973 -0.174 18726 2077 1 3 . 1 1 117 117 GLU N N 117 116.013 116.013 119.377 -3.364 18726 2078 1 3 . 1 1 117 117 GLU HA H 117 4.627 4.627 4.149 0.478 18726 2079 1 3 . 1 1 117 117 GLU CA C 117 57.593 57.593 58.948 -1.355 18726 2080 1 3 . 1 1 117 117 GLU CB C 117 28.952 28.952 29.157 -0.205 18726 2081 1 3 . 1 1 117 117 GLU H H 117 8.089 8.089 8.126 -0.037 18726 2082 1 3 . 1 1 118 118 MET N N 118 120.497 120.497 119.954 0.543 18726 2083 1 3 . 1 1 118 118 MET HA H 118 4.046 4.046 4.290 -0.244 18726 2084 1 3 . 1 1 118 118 MET CA C 118 60.845 60.845 59.534 1.311 18726 2085 1 3 . 1 1 118 118 MET CB C 118 34.132 34.132 32.625 1.507 18726 2086 1 3 . 1 1 118 118 MET H H 118 8.751 8.751 8.627 0.124 18726 2087 1 3 . 1 1 119 119 ALA N N 119 119.171 119.171 121.164 -1.993 18726 2088 1 3 . 1 1 119 119 ALA HA H 119 3.819 3.819 4.024 -0.205 18726 2089 1 3 . 1 1 119 119 ALA CA C 119 55.979 55.979 55.242 0.737 18726 2090 1 3 . 1 1 119 119 ALA CB C 119 18.954 18.954 18.298 0.656 18726 2091 1 3 . 1 1 119 119 ALA H H 119 7.903 7.903 8.655 -0.752 18726 2092 1 3 . 1 1 120 120 ASN N N 120 115.223 115.223 116.254 -1.031 18726 2093 1 3 . 1 1 120 120 ASN HA H 120 4.465 4.465 4.509 -0.044 18726 2094 1 3 . 1 1 120 120 ASN CA C 120 56.480 56.480 56.049 0.431 18726 2095 1 3 . 1 1 120 120 ASN CB C 120 38.922 38.922 38.517 0.404 18726 2096 1 3 . 1 1 120 120 ASN H H 120 7.687 7.687 7.943 -0.256 18726 2097 1 3 . 1 1 121 121 THR N N 121 117.264 117.264 115.899 1.365 18726 2098 1 3 . 1 1 121 121 THR HA H 121 3.956 3.956 4.227 -0.271 18726 2099 1 3 . 1 1 121 121 THR CA C 121 67.074 67.074 65.936 1.138 18726 2100 1 3 . 1 1 121 121 THR CB C 121 68.247 68.247 68.955 -0.708 18726 2101 1 3 . 1 1 121 121 THR H H 121 8.726 8.726 7.981 0.745 18726 2102 1 3 . 1 1 122 122 ALA N N 122 123.581 123.581 125.432 -1.851 18726 2103 1 3 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.309 -0.353 18726 2104 1 3 . 1 1 122 122 ALA CA C 122 55.824 55.824 55.070 0.754 18726 2105 1 3 . 1 1 122 122 ALA CB C 122 16.782 16.782 18.412 -1.630 18726 2106 1 3 . 1 1 122 122 ALA H H 122 8.955 8.955 8.630 0.325 18726 2107 1 3 . 1 1 123 123 ARG N N 123 116.698 116.698 116.543 0.155 18726 2108 1 3 . 1 1 123 123 ARG HA H 123 4.190 4.190 4.113 0.077 18726 2109 1 3 . 1 1 123 123 ARG CA C 123 59.732 59.732 58.970 0.762 18726 2110 1 3 . 1 1 123 123 ARG CB C 123 30.233 30.233 29.685 0.548 18726 2111 1 3 . 1 1 123 123 ARG H H 123 7.439 7.439 8.012 -0.573 18726 2112 1 3 . 1 1 124 124 ARG N N 124 119.231 119.231 118.463 0.768 18726 2113 1 3 . 1 1 124 124 ARG HA H 124 4.082 4.082 4.097 -0.015 18726 2114 1 3 . 1 1 124 124 ARG CA C 124 58.240 58.240 57.605 0.635 18726 2115 1 3 . 1 1 124 124 ARG CB C 124 29.314 29.314 29.853 -0.539 18726 2116 1 3 . 1 1 124 124 ARG H H 124 7.669 7.669 7.490 0.179 18726 2117 1 3 . 1 1 125 125 TYR N N 125 118.650 118.650 117.969 0.681 18726 2118 1 3 . 1 1 125 125 TYR HA H 125 4.567 4.567 4.724 -0.157 18726 2119 1 3 . 1 1 125 125 TYR CA C 125 57.748 57.748 56.559 1.189 18726 2120 1 3 . 1 1 125 125 TYR CB C 125 38.059 38.059 37.334 0.725 18726 2121 1 3 . 1 1 125 125 TYR H H 125 7.606 7.606 7.733 -0.127 18726 2122 1 3 . 1 1 126 126 ARG N N 126 110.322 110.322 116.568 -6.246 18726 2123 1 3 . 1 1 126 126 ARG HA H 126 3.789 3.789 4.062 -0.273 18726 2124 1 3 . 1 1 126 126 ARG CA C 126 57.860 57.860 57.663 0.197 18726 2125 1 3 . 1 1 126 126 ARG CB C 126 27.866 27.866 29.343 -1.477 18726 2126 1 3 . 1 1 126 126 ARG H H 126 7.657 7.657 7.753 -0.096 18726 2127 1 3 . 1 1 127 127 VAL N N 127 120.877 120.877 119.227 1.650 18726 2128 1 3 . 1 1 127 127 VAL HA H 127 4.004 4.004 4.243 -0.239 18726 2129 1 3 . 1 1 127 127 VAL CA C 127 62.105 62.105 60.778 1.327 18726 2130 1 3 . 1 1 127 127 VAL CB C 127 31.681 31.681 29.809 1.871 18726 2131 1 3 . 1 1 127 127 VAL H H 127 7.601 7.601 8.073 -0.472 18726 2132 1 3 . 1 1 128 128 ASN N N 128 125.726 125.726 120.141 5.585 18726 2133 1 3 . 1 1 128 128 ASN HA H 128 4.663 4.663 4.488 0.175 18726 2134 1 3 . 1 1 128 128 ASN CA C 128 52.787 52.787 53.873 -1.086 18726 2135 1 3 . 1 1 128 128 ASN CB C 128 39.476 39.476 38.894 0.582 18726 2136 1 3 . 1 1 128 128 ASN H H 128 8.604 8.604 7.536 1.068 18726 2137 1 3 . 1 1 129 129 VAL N N 129 126.963 126.963 123.579 3.384 18726 2138 1 3 . 1 1 129 129 VAL HA H 129 4.286 4.286 4.342 -0.056 18726 2139 1 3 . 1 1 129 129 VAL CA C 129 59.637 59.637 59.154 0.483 18726 2140 1 3 . 1 1 129 129 VAL CB C 129 33.101 33.101 34.289 -1.188 18726 2141 1 3 . 1 1 129 129 VAL H H 129 8.223 8.223 8.322 -0.099 18726 2142 1 3 . 1 1 130 130 PRO HA H 130 4.435 4.435 4.562 -0.127 18726 2143 1 3 . 1 1 130 130 PRO CA C 130 63.045 63.045 62.539 0.506 18726 2144 1 3 . 1 1 130 130 PRO CB C 130 32.795 32.795 32.856 -0.061 18726 2145 1 3 . 1 1 131 131 GLU N N 131 125.786 125.786 124.294 1.492 18726 2146 1 3 . 1 1 131 131 GLU HA H 131 3.944 3.944 3.869 0.075 18726 2147 1 3 . 1 1 131 131 GLU CA C 131 60.431 60.431 59.899 0.532 18726 2148 1 3 . 1 1 131 131 GLU CB C 131 29.147 29.147 29.215 -0.068 18726 2149 1 3 . 1 1 131 131 GLU H H 131 9.135 9.135 9.081 0.054 18726 2150 1 3 . 1 1 132 132 ALA N N 132 119.640 119.640 120.328 -0.688 18726 2151 1 3 . 1 1 132 132 ALA HA H 132 4.183 4.183 4.193 -0.010 18726 2152 1 3 . 1 1 132 132 ALA CA C 132 55.341 55.341 54.666 0.675 18726 2153 1 3 . 1 1 132 132 ALA CB C 132 18.314 18.314 18.267 0.047 18726 2154 1 3 . 1 1 132 132 ALA H H 132 9.105 9.105 8.293 0.812 18726 2155 1 3 . 1 1 133 133 SER N N 133 114.523 114.523 114.125 0.398 18726 2156 1 3 . 1 1 133 133 SER HA H 133 4.328 4.328 4.292 0.036 18726 2157 1 3 . 1 1 133 133 SER CA C 133 61.673 61.673 60.791 0.881 18726 2158 1 3 . 1 1 133 133 SER CB C 133 62.621 62.621 63.763 -1.142 18726 2159 1 3 . 1 1 133 133 SER H H 133 7.417 7.417 7.888 -0.471 18726 2160 1 3 . 1 1 134 134 VAL N N 134 124.609 124.609 122.192 2.417 18726 2161 1 3 . 1 1 134 134 VAL HA H 134 3.495 3.495 3.753 -0.258 18726 2162 1 3 . 1 1 134 134 VAL CA C 134 66.867 66.867 65.985 0.882 18726 2163 1 3 . 1 1 134 134 VAL CB C 134 31.514 31.514 31.281 0.233 18726 2164 1 3 . 1 1 134 134 VAL H H 134 7.731 7.731 7.920 -0.189 18726 2165 1 3 . 1 1 135 135 GLN N N 135 118.590 118.590 119.017 -0.427 18726 2166 1 3 . 1 1 135 135 GLN HA H 135 3.932 3.932 3.992 -0.060 18726 2167 1 3 . 1 1 135 135 GLN CA C 135 59.154 59.154 58.905 0.249 18726 2168 1 3 . 1 1 135 135 GLN CB C 135 27.810 27.810 27.078 0.732 18726 2169 1 3 . 1 1 135 135 GLN H H 135 8.247 8.247 8.329 -0.082 18726 2170 1 3 . 1 1 136 136 ALA N N 136 121.867 121.867 121.968 -0.101 18726 2171 1 3 . 1 1 136 136 ALA HA H 136 4.184 4.184 4.034 0.150 18726 2172 1 3 . 1 1 136 136 ALA CA C 136 55.229 55.229 54.972 0.257 18726 2173 1 3 . 1 1 136 136 ALA CB C 136 17.924 17.924 18.025 -0.101 18726 2174 1 3 . 1 1 136 136 ALA H H 136 7.617 7.617 7.811 -0.194 18726 2175 1 3 . 1 1 137 137 ASP N N 137 121.450 121.450 119.052 2.398 18726 2176 1 3 . 1 1 137 137 ASP HA H 137 4.423 4.423 4.423 -0.000 18726 2177 1 3 . 1 1 137 137 ASP CA C 137 57.480 57.480 57.275 0.205 18726 2178 1 3 . 1 1 137 137 ASP CB C 137 41.735 41.735 40.259 1.476 18726 2179 1 3 . 1 1 137 137 ASP H H 137 8.097 8.097 7.425 0.672 18726 2180 1 3 . 1 1 138 138 VAL N N 138 121.018 121.018 119.570 1.448 18726 2181 1 3 . 1 1 138 138 VAL HA H 138 3.543 3.543 3.690 -0.147 18726 2182 1 3 . 1 1 138 138 VAL CA C 138 67.644 67.644 66.485 1.159 18726 2183 1 3 . 1 1 138 138 VAL CB C 138 31.625 31.625 31.355 0.270 18726 2184 1 3 . 1 1 138 138 VAL H H 138 8.630 8.630 8.021 0.609 18726 2185 1 3 . 1 1 139 139 SER N N 139 117.279 117.279 116.394 0.885 18726 2186 1 3 . 1 1 139 139 SER HA H 139 4.087 4.087 4.338 -0.251 18726 2187 1 3 . 1 1 139 139 SER CA C 139 62.191 62.191 62.124 0.067 18726 2188 1 3 . 1 1 139 139 SER CB C 139 62.996 62.996 63.168 -0.172 18726 2189 1 3 . 1 1 139 139 SER H H 139 8.146 8.146 8.043 0.103 18726 2190 1 3 . 1 1 140 140 LEU N N 140 123.402 123.402 122.518 0.884 18726 2191 1 3 . 1 1 140 140 LEU HA H 140 4.184 4.184 4.206 -0.022 18726 2192 1 3 . 1 1 140 140 LEU CA C 140 59.025 59.025 58.090 0.936 18726 2193 1 3 . 1 1 140 140 LEU CB C 140 42.459 42.459 42.069 0.390 18726 2194 1 3 . 1 1 140 140 LEU H H 140 8.283 8.283 7.657 0.626 18726 2195 1 3 . 1 1 141 141 VAL N N 141 112.944 112.944 116.160 -3.216 18726 2196 1 3 . 1 1 141 141 VAL HA H 141 3.956 3.956 3.677 0.279 18726 2197 1 3 . 1 1 141 141 VAL CA C 141 66.169 66.169 66.201 -0.032 18726 2198 1 3 . 1 1 141 141 VAL CB C 141 30.762 30.762 30.573 0.188 18726 2199 1 3 . 1 1 141 141 VAL H H 141 8.969 8.969 8.011 0.958 18726 2200 1 3 . 1 1 142 142 THR N N 142 114.612 114.612 113.953 0.659 18726 2201 1 3 . 1 1 142 142 THR HA H 142 4.160 4.160 4.178 -0.018 18726 2202 1 3 . 1 1 142 142 THR CA C 142 65.668 65.668 65.844 -0.175 18726 2203 1 3 . 1 1 142 142 THR CB C 142 68.804 68.804 68.712 0.092 18726 2204 1 3 . 1 1 142 142 THR H H 142 8.134 8.134 8.288 -0.154 18726 2205 1 3 . 1 1 143 143 SER N N 143 120.124 120.124 118.105 2.019 18726 2206 1 3 . 1 1 143 143 SER HA H 143 4.292 4.292 4.195 0.097 18726 2207 1 3 . 1 1 143 143 SER CA C 143 62.079 62.079 62.003 0.076 18726 2208 1 3 . 1 1 143 143 SER CB C 143 62.928 62.928 62.931 -0.003 18726 2209 1 3 . 1 1 143 143 SER H H 143 8.014 8.014 8.096 -0.082 18726 2210 1 3 . 1 1 144 144 MET N N 144 119.335 119.335 119.503 -0.168 18726 2211 1 3 . 1 1 144 144 MET HA H 144 4.226 4.226 4.277 -0.051 18726 2212 1 3 . 1 1 144 144 MET CA C 144 59.189 59.189 58.687 0.502 18726 2213 1 3 . 1 1 144 144 MET CB C 144 33.826 33.826 32.686 1.140 18726 2214 1 3 . 1 1 144 144 MET H H 144 8.172 8.172 8.004 0.168 18726 2215 1 3 . 1 1 145 145 THR N N 145 107.737 107.737 113.200 -5.463 18726 2216 1 3 . 1 1 145 145 THR HA H 145 4.052 4.052 4.024 0.028 18726 2217 1 3 . 1 1 145 145 THR CA C 145 64.659 64.659 65.415 -0.756 18726 2218 1 3 . 1 1 145 145 THR CB C 145 69.138 69.138 67.885 1.252 18726 2219 1 3 . 1 1 145 145 THR H H 145 7.985 7.985 8.010 -0.025 18726 2220 1 3 . 1 1 146 146 SER N N 146 113.986 113.986 117.866 -3.880 18726 2221 1 3 . 1 1 146 146 SER HA H 146 4.393 4.393 4.248 0.145 18726 2222 1 3 . 1 1 146 146 SER CA C 146 60.975 60.975 60.807 0.168 18726 2223 1 3 . 1 1 146 146 SER CB C 146 63.847 63.847 63.001 0.846 18726 2224 1 3 . 1 1 146 146 SER H H 146 7.802 7.802 8.259 -0.457 18726 2225 1 3 . 1 1 147 147 THR N N 147 109.308 109.308 113.252 -3.944 18726 2226 1 3 . 1 1 147 147 THR HA H 147 4.405 4.405 4.532 -0.127 18726 2227 1 3 . 1 1 147 147 THR CA C 147 61.259 61.259 60.901 0.358 18726 2228 1 3 . 1 1 147 147 THR CB C 147 69.556 69.556 69.080 0.476 18726 2229 1 3 . 1 1 147 147 THR H H 147 7.206 7.206 7.611 -0.405 18726 2230 1 3 . 1 1 148 148 PHE N N 148 122.746 122.746 124.112 -1.366 18726 2231 1 3 . 1 1 148 148 PHE HA H 148 4.441 4.441 4.732 -0.291 18726 2232 1 3 . 1 1 148 148 PHE CA C 148 58.913 58.913 56.891 2.022 18726 2233 1 3 . 1 1 148 148 PHE CB C 148 39.952 39.952 41.018 -1.066 18726 2234 1 3 . 1 1 148 148 PHE H H 148 7.299 7.299 7.848 -0.549 18726 2235 1 3 . 1 1 149 149 VAL N N 149 124.892 124.892 128.249 -3.357 18726 2236 1 3 . 1 1 149 149 VAL HA H 149 3.938 3.938 3.984 -0.046 18726 2237 1 3 . 1 1 149 149 VAL CA C 149 61.233 61.233 59.942 1.291 18726 2238 1 3 . 1 1 149 149 VAL CB C 149 34.410 34.410 35.121 -0.711 18726 2239 1 3 . 1 1 149 149 VAL H H 149 7.759 7.759 8.162 -0.403 18726 2240 1 3 . 1 1 150 150 ILE N N 150 124.892 124.892 126.307 -1.415 18726 2241 1 3 . 1 1 150 150 ILE HA H 150 4.015 4.015 3.864 0.151 18726 2242 1 3 . 1 1 150 150 ILE CA C 150 60.655 60.655 61.572 -0.917 18726 2243 1 3 . 1 1 150 150 ILE CB C 150 38.755 38.755 37.254 1.501 18726 2244 1 3 . 1 1 150 150 ILE H H 150 8.120 8.120 8.259 -0.139 18726 2245 1 3 . 1 1 151 151 SER N N 151 121.942 121.942 121.268 0.674 18726 2246 1 3 . 1 1 151 151 SER HA H 151 4.483 4.483 4.368 0.115 18726 2247 1 3 . 1 1 151 151 SER CA C 151 58.136 58.136 58.109 0.027 18726 2248 1 3 . 1 1 151 151 SER CB C 151 64.264 64.264 63.669 0.595 18726 2249 1 3 . 1 1 151 151 SER H H 151 8.746 8.746 8.049 0.697 18726 2250 1 3 . 1 1 152 152 SER HA H 152 4.453 4.453 4.196 0.257 18726 2251 1 3 . 1 1 152 152 SER CA C 152 58.481 58.481 59.582 -1.101 18726 2252 1 3 . 1 1 152 152 SER CB C 152 64.188 64.188 62.334 1.853 18726 2253 1 3 . 1 1 153 153 GLN N N 153 122.081 122.081 116.431 5.650 18726 2254 1 3 . 1 1 153 153 GLN HA H 153 4.325 4.325 4.420 -0.095 18726 2255 1 3 . 1 1 153 153 GLN CA C 153 56.104 56.104 56.371 -0.267 18726 2256 1 3 . 1 1 153 153 GLN CB C 153 29.322 29.322 31.463 -2.141 18726 2257 1 3 . 1 1 153 153 GLN H H 153 8.404 8.404 8.092 0.312 18726 2258 1 3 . 1 1 154 154 THR HA H 154 4.345 4.345 4.595 -0.250 18726 2259 1 3 . 1 1 154 154 THR CA C 154 62.036 62.036 62.205 -0.169 18726 2260 1 3 . 1 1 154 154 THR CB C 154 69.806 69.806 70.537 -0.731 18726 2261 1 3 . 1 1 155 155 SER N N 155 118.158 118.158 118.614 -0.456 18726 2262 1 3 . 1 1 155 155 SER HA H 155 4.465 4.465 4.723 -0.258 18726 2263 1 3 . 1 1 155 155 SER CA C 155 58.447 58.447 57.661 0.786 18726 2264 1 3 . 1 1 155 155 SER CB C 155 64.069 64.069 63.905 0.164 18726 2265 1 3 . 1 1 155 155 SER H H 155 8.275 8.275 8.278 -0.003 18726 2266 1 3 . 1 1 156 156 VAL N N 156 121.614 121.614 121.501 0.113 18726 2267 1 3 . 1 1 156 156 VAL HA H 156 4.094 4.094 4.531 -0.437 18726 2268 1 3 . 1 1 156 156 VAL CA C 156 62.553 62.553 61.405 1.148 18726 2269 1 3 . 1 1 156 156 VAL CB C 156 32.823 32.823 33.088 -0.265 18726 2270 1 3 . 1 1 156 156 VAL H H 156 8.103 8.103 8.461 -0.358 18726 2271 1 3 . 1 1 157 157 GLN N N 157 123.938 123.938 119.561 4.377 18726 2272 1 3 . 1 1 157 157 GLN HA H 157 4.310 4.310 4.351 -0.041 18726 2273 1 3 . 1 1 157 157 GLN CA C 157 55.867 55.867 56.569 -0.702 18726 2274 1 3 . 1 1 157 157 GLN CB C 157 29.370 29.370 29.396 -0.026 18726 2275 1 3 . 1 1 157 157 GLN H H 157 8.371 8.371 8.351 0.021 18726 2276 1 3 . 1 1 158 158 MET N N 158 122.300 122.300 117.865 4.435 18726 2277 1 3 . 1 1 158 158 MET HA H 158 4.470 4.470 4.668 -0.198 18726 2278 1 3 . 1 1 158 158 MET CA C 158 55.720 55.720 55.273 0.447 18726 2279 1 3 . 1 1 158 158 MET CB C 158 32.959 32.959 35.189 -2.230 18726 2280 1 3 . 1 1 158 158 MET H H 158 8.425 8.425 8.317 0.108 18726 2281 1 3 . 1 1 159 159 GLY N N 159 110.605 110.605 110.312 0.293 18726 2282 1 3 . 1 1 159 159 GLY CA C 159 45.689 45.689 45.143 0.546 18726 2283 1 3 . 1 1 159 159 GLY H H 159 8.396 8.396 9.129 -0.733 18726 2284 1 4 . 1 1 1 1 SER HA H 1 4.417 4.417 4.422 -0.005 18726 2285 1 4 . 1 1 1 1 SER CA C 1 58.904 58.904 58.538 0.366 18726 2286 1 4 . 1 1 1 1 SER CB C 1 64.069 64.069 62.347 1.722 18726 2287 1 4 . 1 1 2 2 GLY N N 2 110.955 110.955 110.800 0.155 18726 2288 1 4 . 1 1 2 2 GLY CA C 2 45.689 45.689 45.160 0.529 18726 2289 1 4 . 1 1 2 2 GLY H H 2 8.620 8.620 8.521 0.099 18726 2290 1 4 . 1 1 3 3 SER N N 3 116.638 116.638 112.422 4.216 18726 2291 1 4 . 1 1 3 3 SER HA H 3 4.495 4.495 3.991 0.504 18726 2292 1 4 . 1 1 3 3 SER CA C 3 58.386 58.386 58.118 0.268 18726 2293 1 4 . 1 1 3 3 SER CB C 3 64.877 64.877 62.972 1.905 18726 2294 1 4 . 1 1 3 3 SER H H 3 8.459 8.459 7.857 0.602 18726 2295 1 4 . 1 1 4 4 LEU N N 4 123.760 123.760 125.871 -2.111 18726 2296 1 4 . 1 1 4 4 LEU HA H 4 4.094 4.094 4.019 0.075 18726 2297 1 4 . 1 1 4 4 LEU CA C 4 58.973 58.973 58.233 0.740 18726 2298 1 4 . 1 1 4 4 LEU CB C 4 41.594 41.594 41.768 -0.174 18726 2299 1 4 . 1 1 4 4 LEU H H 4 8.700 8.700 8.364 0.336 18726 2300 1 4 . 1 1 5 5 GLY N N 5 126.963 126.963 104.051 22.912 18726 2301 1 4 . 1 1 5 5 GLY CA C 5 46.887 46.887 47.200 -0.312 18726 2302 1 4 . 1 1 5 5 GLY H H 5 8.814 8.814 8.728 0.086 18726 2303 1 4 . 1 1 6 6 ASP N N 6 125.167 125.167 123.583 1.584 18726 2304 1 4 . 1 1 6 6 ASP HA H 6 4.369 4.369 4.568 -0.199 18726 2305 1 4 . 1 1 6 6 ASP CA C 6 57.972 57.972 56.834 1.138 18726 2306 1 4 . 1 1 6 6 ASP CB C 6 40.957 40.957 40.430 0.527 18726 2307 1 4 . 1 1 6 6 ASP H H 6 8.119 8.119 7.842 0.277 18726 2308 1 4 . 1 1 7 7 GLN N N 7 119.521 119.521 119.994 -0.473 18726 2309 1 4 . 1 1 7 7 GLN HA H 7 4.160 4.160 4.079 0.081 18726 2310 1 4 . 1 1 7 7 GLN CA C 7 59.404 59.404 59.089 0.315 18726 2311 1 4 . 1 1 7 7 GLN CB C 7 29.199 29.199 29.000 0.199 18726 2312 1 4 . 1 1 7 7 GLN H H 7 8.398 8.398 8.047 0.351 18726 2313 1 4 . 1 1 8 8 LEU N N 8 121.234 121.234 119.591 1.643 18726 2314 1 4 . 1 1 8 8 LEU HA H 8 3.801 3.801 3.885 -0.084 18726 2315 1 4 . 1 1 8 8 LEU CA C 8 57.722 57.722 58.143 -0.421 18726 2316 1 4 . 1 1 8 8 LEU CB C 8 42.403 42.403 41.217 1.186 18726 2317 1 4 . 1 1 8 8 LEU H H 8 9.087 9.087 8.342 0.745 18726 2318 1 4 . 1 1 9 9 THR N N 9 116.094 116.094 113.239 2.855 18726 2319 1 4 . 1 1 9 9 THR HA H 9 3.513 3.513 3.969 -0.456 18726 2320 1 4 . 1 1 9 9 THR CA C 9 68.886 68.886 66.485 2.401 18726 2321 1 4 . 1 1 9 9 THR CB C 9 67.968 67.968 68.213 -0.245 18726 2322 1 4 . 1 1 9 9 THR H H 9 8.188 8.188 8.058 0.130 18726 2323 1 4 . 1 1 10 10 SER N N 10 115.044 115.044 119.042 -3.998 18726 2324 1 4 . 1 1 10 10 SER HA H 10 4.154 4.154 4.107 0.046 18726 2325 1 4 . 1 1 10 10 SER CA C 10 61.898 61.898 62.808 -0.910 18726 2326 1 4 . 1 1 10 10 SER CB C 10 62.900 62.900 63.099 -0.199 18726 2327 1 4 . 1 1 10 10 SER H H 10 7.801 7.801 8.574 -0.773 18726 2328 1 4 . 1 1 11 11 THR N N 11 119.022 119.022 118.596 0.426 18726 2329 1 4 . 1 1 11 11 THR HA H 11 3.920 3.920 4.026 -0.106 18726 2330 1 4 . 1 1 11 11 THR CA C 11 67.747 67.747 66.578 1.169 18726 2331 1 4 . 1 1 11 11 THR CB C 11 68.804 68.804 68.658 0.146 18726 2332 1 4 . 1 1 11 11 THR H H 11 8.147 8.147 7.929 0.218 18726 2333 1 4 . 1 1 12 12 LEU N N 12 120.609 120.609 122.721 -2.112 18726 2334 1 4 . 1 1 12 12 LEU HA H 12 3.890 3.890 3.891 -0.001 18726 2335 1 4 . 1 1 12 12 LEU CA C 12 58.265 58.265 58.130 0.135 18726 2336 1 4 . 1 1 12 12 LEU CB C 12 42.598 42.598 41.511 1.087 18726 2337 1 4 . 1 1 12 12 LEU H H 12 8.368 8.368 8.463 -0.095 18726 2338 1 4 . 1 1 13 13 ALA N N 13 119.231 119.231 120.419 -1.188 18726 2339 1 4 . 1 1 13 13 ALA HA H 13 3.816 3.816 3.998 -0.182 18726 2340 1 4 . 1 1 13 13 ALA CA C 13 55.729 55.729 54.968 0.761 18726 2341 1 4 . 1 1 13 13 ALA CB C 13 17.422 17.422 18.102 -0.680 18726 2342 1 4 . 1 1 13 13 ALA H H 13 8.755 8.755 8.655 0.100 18726 2343 1 4 . 1 1 14 14 SER N N 14 116.251 116.251 115.907 0.344 18726 2344 1 4 . 1 1 14 14 SER HA H 14 4.052 4.052 4.095 -0.043 18726 2345 1 4 . 1 1 14 14 SER CA C 14 62.079 62.079 62.331 -0.252 18726 2346 1 4 . 1 1 14 14 SER CB C 14 63.111 63.111 63.032 0.079 18726 2347 1 4 . 1 1 14 14 SER H H 14 8.318 8.318 7.741 0.577 18726 2348 1 4 . 1 1 15 15 ALA N N 15 121.629 121.629 123.295 -1.666 18726 2349 1 4 . 1 1 15 15 ALA HA H 15 4.166 4.166 4.083 0.083 18726 2350 1 4 . 1 1 15 15 ALA CA C 15 54.918 54.918 54.686 0.232 18726 2351 1 4 . 1 1 15 15 ALA CB C 15 18.397 18.397 18.603 -0.206 18726 2352 1 4 . 1 1 15 15 ALA H H 15 7.943 7.943 8.216 -0.273 18726 2353 1 4 . 1 1 16 16 LEU N N 16 112.541 112.541 118.582 -6.041 18726 2354 1 4 . 1 1 16 16 LEU HA H 16 3.885 3.885 4.094 -0.209 18726 2355 1 4 . 1 1 16 16 LEU CA C 16 57.731 57.731 57.149 0.582 18726 2356 1 4 . 1 1 16 16 LEU CB C 16 42.208 42.208 41.703 0.505 18726 2357 1 4 . 1 1 16 16 LEU H H 16 8.083 8.083 8.118 -0.035 18726 2358 1 4 . 1 1 17 17 THR N N 17 116.527 116.527 112.770 3.757 18726 2359 1 4 . 1 1 17 17 THR HA H 17 3.388 3.388 4.153 -0.765 18726 2360 1 4 . 1 1 17 17 THR CA C 17 67.972 67.972 64.983 2.989 18726 2361 1 4 . 1 1 17 17 THR CB C 17 68.860 68.860 69.039 -0.179 18726 2362 1 4 . 1 1 17 17 THR H H 17 8.044 8.044 7.867 0.177 18726 2363 1 4 . 1 1 18 18 LYS N N 18 115.841 115.841 118.301 -2.460 18726 2364 1 4 . 1 1 18 18 LYS HA H 18 4.142 4.142 4.513 -0.371 18726 2365 1 4 . 1 1 18 18 LYS CA C 18 56.859 56.859 55.290 1.569 18726 2366 1 4 . 1 1 18 18 LYS CB C 18 34.271 34.271 32.819 1.452 18726 2367 1 4 . 1 1 18 18 LYS H H 18 6.810 6.810 7.492 -0.682 18726 2368 1 4 . 1 1 19 19 THR N N 19 108.482 108.482 113.024 -4.542 18726 2369 1 4 . 1 1 19 19 THR HA H 19 4.088 4.088 4.913 -0.825 18726 2370 1 4 . 1 1 19 19 THR CA C 19 61.656 61.656 60.074 1.583 18726 2371 1 4 . 1 1 19 19 THR CB C 19 70.168 70.168 71.999 -1.831 18726 2372 1 4 . 1 1 19 19 THR H H 19 7.419 7.419 7.298 0.121 18726 2373 1 4 . 1 1 20 20 ASN N N 20 126.031 126.031 125.080 0.951 18726 2374 1 4 . 1 1 20 20 ASN HA H 20 4.304 4.304 4.377 -0.073 18726 2375 1 4 . 1 1 20 20 ASN CA C 20 57.247 57.247 56.421 0.826 18726 2376 1 4 . 1 1 20 20 ASN CB C 20 39.033 39.033 37.668 1.365 18726 2377 1 4 . 1 1 20 20 ASN H H 20 11.715 11.715 8.987 2.728 18726 2378 1 4 . 1 1 21 21 THR N N 21 119.223 119.223 115.540 3.683 18726 2379 1 4 . 1 1 21 21 THR HA H 21 3.723 3.723 4.076 -0.353 18726 2380 1 4 . 1 1 21 21 THR CA C 21 68.803 68.803 65.451 3.352 18726 2381 1 4 . 1 1 21 21 THR CB C 21 70.168 70.168 68.767 1.401 18726 2382 1 4 . 1 1 21 21 THR H H 21 10.495 10.495 8.783 1.712 18726 2383 1 4 . 1 1 22 22 LEU N N 22 119.484 119.484 119.061 0.423 18726 2384 1 4 . 1 1 22 22 LEU HA H 22 3.920 3.920 4.528 -0.608 18726 2385 1 4 . 1 1 22 22 LEU CA C 22 57.360 57.360 55.977 1.383 18726 2386 1 4 . 1 1 22 22 LEU CB C 22 40.983 40.983 42.800 -1.817 18726 2387 1 4 . 1 1 22 22 LEU H H 22 7.908 7.908 8.160 -0.252 18726 2388 1 4 . 1 1 23 23 LYS N N 23 121.033 121.033 120.448 0.585 18726 2389 1 4 . 1 1 23 23 LYS HA H 23 3.843 3.843 3.958 -0.115 18726 2390 1 4 . 1 1 23 23 LYS CA C 23 61.078 61.078 60.154 0.924 18726 2391 1 4 . 1 1 23 23 LYS CB C 23 32.210 32.210 32.376 -0.166 18726 2392 1 4 . 1 1 23 23 LYS H H 23 7.968 7.968 8.613 -0.645 18726 2393 1 4 . 1 1 24 24 ALA N N 24 121.376 121.376 121.789 -0.413 18726 2394 1 4 . 1 1 24 24 ALA HA H 24 4.118 4.118 4.091 0.027 18726 2395 1 4 . 1 1 24 24 ALA CA C 24 54.892 54.892 55.659 -0.767 18726 2396 1 4 . 1 1 24 24 ALA CB C 24 18.564 18.564 18.301 0.263 18726 2397 1 4 . 1 1 24 24 ALA H H 24 8.239 8.239 8.315 -0.076 18726 2398 1 4 . 1 1 25 25 VAL N N 25 118.009 118.009 114.804 3.205 18726 2399 1 4 . 1 1 25 25 VAL HA H 25 3.244 3.244 3.671 -0.427 18726 2400 1 4 . 1 1 25 25 VAL CA C 25 67.420 67.420 65.248 2.172 18726 2401 1 4 . 1 1 25 25 VAL CB C 25 31.904 31.904 30.931 0.973 18726 2402 1 4 . 1 1 25 25 VAL H H 25 7.972 7.972 7.643 0.329 18726 2403 1 4 . 1 1 26 26 SER N N 26 113.107 113.107 116.752 -3.645 18726 2404 1 4 . 1 1 26 26 SER HA H 26 3.645 3.645 3.937 -0.292 18726 2405 1 4 . 1 1 26 26 SER CA C 26 62.157 62.157 61.394 0.763 18726 2406 1 4 . 1 1 26 26 SER CB C 26 63.206 63.206 63.161 0.045 18726 2407 1 4 . 1 1 26 26 SER H H 26 8.092 8.092 8.149 -0.057 18726 2408 1 4 . 1 1 27 27 ALA N N 27 122.069 122.069 123.598 -1.529 18726 2409 1 4 . 1 1 27 27 ALA HA H 27 4.178 4.178 4.230 -0.052 18726 2410 1 4 . 1 1 27 27 ALA CA C 27 54.504 54.504 54.321 0.183 18726 2411 1 4 . 1 1 27 27 ALA CB C 27 18.676 18.676 18.358 0.318 18726 2412 1 4 . 1 1 27 27 ALA H H 27 8.224 8.224 7.758 0.466 18726 2413 1 4 . 1 1 28 28 SER N N 28 111.990 111.990 112.988 -0.998 18726 2414 1 4 . 1 1 28 28 SER HA H 28 4.298 4.298 4.299 -0.001 18726 2415 1 4 . 1 1 28 28 SER CA C 28 60.051 60.051 59.959 0.091 18726 2416 1 4 . 1 1 28 28 SER CB C 28 64.376 64.376 63.622 0.754 18726 2417 1 4 . 1 1 28 28 SER H H 28 7.441 7.441 7.628 -0.187 18726 2418 1 4 . 1 1 29 29 LYS N N 29 116.653 116.653 119.667 -3.014 18726 2419 1 4 . 1 1 29 29 LYS HA H 29 4.010 4.010 4.060 -0.050 18726 2420 1 4 . 1 1 29 29 LYS CA C 29 56.859 56.859 56.262 0.597 18726 2421 1 4 . 1 1 29 29 LYS CB C 29 30.957 30.957 31.260 -0.303 18726 2422 1 4 . 1 1 29 29 LYS H H 29 7.725 7.725 7.511 0.214 18726 2423 1 4 . 1 1 30 30 PRO HA H 30 4.501 4.501 4.383 0.118 18726 2424 1 4 . 1 1 30 30 PRO CA C 30 62.709 62.709 63.922 -1.214 18726 2425 1 4 . 1 1 30 30 PRO CB C 30 30.906 30.906 32.209 -1.303 18726 2426 1 4 . 1 1 31 31 SER N N 31 115.595 115.595 111.236 4.359 18726 2427 1 4 . 1 1 31 31 SER HA H 31 4.286 4.286 4.479 -0.193 18726 2428 1 4 . 1 1 31 31 SER CA C 31 57.739 57.739 57.473 0.266 18726 2429 1 4 . 1 1 31 31 SER CB C 31 64.515 64.515 64.262 0.253 18726 2430 1 4 . 1 1 31 31 SER H H 31 8.349 8.349 7.848 0.501 18726 2431 1 4 . 1 1 32 32 ALA N N 32 124.266 124.266 126.047 -1.781 18726 2432 1 4 . 1 1 32 32 ALA HA H 32 4.351 4.351 4.087 0.264 18726 2433 1 4 . 1 1 32 32 ALA CA C 32 55.772 55.772 54.623 1.149 18726 2434 1 4 . 1 1 32 32 ALA CB C 32 18.954 18.954 18.741 0.213 18726 2435 1 4 . 1 1 32 32 ALA H H 32 9.039 9.039 8.842 0.197 18726 2436 1 4 . 1 1 33 33 ASN N N 33 111.722 111.722 116.504 -4.782 18726 2437 1 4 . 1 1 33 33 ASN HA H 33 4.274 4.274 4.473 -0.199 18726 2438 1 4 . 1 1 33 33 ASN CA C 33 56.402 56.402 55.886 0.516 18726 2439 1 4 . 1 1 33 33 ASN CB C 33 37.780 37.780 37.921 -0.141 18726 2440 1 4 . 1 1 33 33 ASN H H 33 8.301 8.301 8.585 -0.284 18726 2441 1 4 . 1 1 34 34 VAL N N 34 123.804 123.804 119.214 4.590 18726 2442 1 4 . 1 1 34 34 VAL HA H 34 3.166 3.166 3.688 -0.522 18726 2443 1 4 . 1 1 34 34 VAL CA C 34 66.634 66.634 64.163 2.471 18726 2444 1 4 . 1 1 34 34 VAL CB C 34 31.347 31.347 31.579 -0.232 18726 2445 1 4 . 1 1 34 34 VAL H H 34 7.376 7.376 7.478 -0.102 18726 2446 1 4 . 1 1 35 35 ALA N N 35 122.314 122.314 122.883 -0.569 18726 2447 1 4 . 1 1 35 35 ALA HA H 35 3.591 3.591 3.796 -0.205 18726 2448 1 4 . 1 1 35 35 ALA CA C 35 56.255 56.255 55.439 0.816 18726 2449 1 4 . 1 1 35 35 ALA CB C 35 18.063 18.063 18.248 -0.185 18726 2450 1 4 . 1 1 35 35 ALA H H 35 8.558 8.558 8.547 0.011 18726 2451 1 4 . 1 1 36 36 VAL N N 36 115.595 115.595 117.895 -2.300 18726 2452 1 4 . 1 1 36 36 VAL HA H 36 3.316 3.316 3.694 -0.378 18726 2453 1 4 . 1 1 36 36 VAL CA C 36 67.756 67.756 66.446 1.310 18726 2454 1 4 . 1 1 36 36 VAL CB C 36 32.099 32.099 31.073 1.026 18726 2455 1 4 . 1 1 36 36 VAL H H 36 8.507 8.507 7.633 0.874 18726 2456 1 4 . 1 1 37 37 ALA N N 37 126.247 126.247 123.871 2.376 18726 2457 1 4 . 1 1 37 37 ALA HA H 37 4.040 4.040 4.217 -0.177 18726 2458 1 4 . 1 1 37 37 ALA CA C 37 56.048 56.048 54.977 1.071 18726 2459 1 4 . 1 1 37 37 ALA CB C 37 18.091 18.091 18.594 -0.503 18726 2460 1 4 . 1 1 37 37 ALA H H 37 7.801 7.801 7.339 0.462 18726 2461 1 4 . 1 1 38 38 ILE N N 38 118.344 118.344 119.162 -0.818 18726 2462 1 4 . 1 1 38 38 ILE HA H 38 3.561 3.561 3.823 -0.262 18726 2463 1 4 . 1 1 38 38 ILE CA C 38 66.263 66.263 65.462 0.801 18726 2464 1 4 . 1 1 38 38 ILE CB C 38 39.395 39.395 38.090 1.305 18726 2465 1 4 . 1 1 38 38 ILE H H 38 8.305 8.305 8.094 0.211 18726 2466 1 4 . 1 1 39 39 VAL N N 39 117.264 117.264 120.572 -3.308 18726 2467 1 4 . 1 1 39 39 VAL HA H 39 3.573 3.573 3.744 -0.171 18726 2468 1 4 . 1 1 39 39 VAL CA C 39 67.074 67.074 65.753 1.321 18726 2469 1 4 . 1 1 39 39 VAL CB C 39 32.127 32.127 31.959 0.168 18726 2470 1 4 . 1 1 39 39 VAL H H 39 8.331 8.331 8.162 0.169 18726 2471 1 4 . 1 1 40 40 THR N N 40 112.303 112.303 114.933 -2.630 18726 2472 1 4 . 1 1 40 40 THR HA H 40 3.831 3.831 3.915 -0.084 18726 2473 1 4 . 1 1 40 40 THR CA C 40 67.152 67.152 66.605 0.547 18726 2474 1 4 . 1 1 40 40 THR CB C 40 68.776 68.776 68.454 0.322 18726 2475 1 4 . 1 1 40 40 THR H H 40 9.029 9.029 8.450 0.579 18726 2476 1 4 . 1 1 41 41 SER N N 41 117.085 117.085 118.902 -1.817 18726 2477 1 4 . 1 1 41 41 SER HA H 41 4.274 4.274 4.107 0.167 18726 2478 1 4 . 1 1 41 41 SER CA C 41 62.182 62.182 62.730 -0.548 18726 2479 1 4 . 1 1 41 41 SER CB C 41 63.067 63.067 62.727 0.340 18726 2480 1 4 . 1 1 41 41 SER H H 41 7.599 7.599 7.826 -0.227 18726 2481 1 4 . 1 1 42 42 GLY N N 42 107.258 107.258 109.306 -2.048 18726 2482 1 4 . 1 1 42 42 GLY CA C 42 47.917 47.917 46.666 1.251 18726 2483 1 4 . 1 1 42 42 GLY H H 42 7.599 7.599 7.568 0.031 18726 2484 1 4 . 1 1 43 43 LEU N N 43 122.262 122.262 122.885 -0.623 18726 2485 1 4 . 1 1 43 43 LEU HA H 43 3.914 3.914 3.873 0.041 18726 2486 1 4 . 1 1 43 43 LEU CA C 43 57.782 57.782 57.920 -0.138 18726 2487 1 4 . 1 1 43 43 LEU CB C 43 42.876 42.876 41.744 1.132 18726 2488 1 4 . 1 1 43 43 LEU H H 43 8.595 8.595 8.306 0.289 18726 2489 1 4 . 1 1 44 44 LYS N N 44 118.851 118.851 118.895 -0.044 18726 2490 1 4 . 1 1 44 44 LYS HA H 44 3.855 3.855 4.034 -0.179 18726 2491 1 4 . 1 1 44 44 LYS CA C 44 60.604 60.604 59.673 0.931 18726 2492 1 4 . 1 1 44 44 LYS CB C 44 32.322 32.322 32.189 0.133 18726 2493 1 4 . 1 1 44 44 LYS H H 44 8.589 8.589 8.329 0.260 18726 2494 1 4 . 1 1 45 45 LYS N N 45 118.322 118.322 120.117 -1.795 18726 2495 1 4 . 1 1 45 45 LYS HA H 45 4.160 4.160 4.050 0.110 18726 2496 1 4 . 1 1 45 45 LYS CA C 45 58.326 58.326 58.880 -0.555 18726 2497 1 4 . 1 1 45 45 LYS CB C 45 32.492 32.492 32.231 0.261 18726 2498 1 4 . 1 1 45 45 LYS H H 45 7.189 7.189 7.654 -0.465 18726 2499 1 4 . 1 1 46 46 ALA N N 46 121.301 121.301 122.257 -0.956 18726 2500 1 4 . 1 1 46 46 ALA HA H 46 3.831 3.831 4.085 -0.254 18726 2501 1 4 . 1 1 46 46 ALA CA C 46 55.539 55.539 55.075 0.464 18726 2502 1 4 . 1 1 46 46 ALA CB C 46 20.152 20.152 18.504 1.648 18726 2503 1 4 . 1 1 46 46 ALA H H 46 8.060 8.060 8.247 -0.187 18726 2504 1 4 . 1 1 47 47 LEU N N 47 116.206 116.206 117.286 -1.080 18726 2505 1 4 . 1 1 47 47 LEU HA H 47 3.902 3.902 3.993 -0.091 18726 2506 1 4 . 1 1 47 47 LEU CA C 47 57.929 57.929 57.442 0.487 18726 2507 1 4 . 1 1 47 47 LEU CB C 47 40.426 40.426 41.610 -1.184 18726 2508 1 4 . 1 1 47 47 LEU H H 47 9.045 9.045 8.267 0.778 18726 2509 1 4 . 1 1 48 48 GLY N N 48 106.001 106.001 106.603 -0.602 18726 2510 1 4 . 1 1 48 48 GLY CA C 48 46.859 46.859 46.784 0.075 18726 2511 1 4 . 1 1 48 48 GLY H H 48 7.739 7.739 8.185 -0.446 18726 2512 1 4 . 1 1 49 49 ALA N N 49 125.570 125.570 124.427 1.143 18726 2513 1 4 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.377 -0.199 18726 2514 1 4 . 1 1 49 49 ALA CA C 49 54.573 54.573 53.939 0.634 18726 2515 1 4 . 1 1 49 49 ALA CB C 49 18.369 18.369 18.797 -0.428 18726 2516 1 4 . 1 1 49 49 ALA H H 49 7.763 7.763 8.243 -0.480 18726 2517 1 4 . 1 1 50 50 LEU N N 50 116.176 116.176 116.752 -0.576 18726 2518 1 4 . 1 1 50 50 LEU HA H 50 4.178 4.178 4.373 -0.195 18726 2519 1 4 . 1 1 50 50 LEU CA C 50 54.961 54.961 53.698 1.263 18726 2520 1 4 . 1 1 50 50 LEU CB C 50 44.213 44.213 41.965 2.248 18726 2521 1 4 . 1 1 50 50 LEU H H 50 7.519 7.519 7.478 0.041 18726 2522 1 4 . 1 1 51 51 ARG N N 51 115.327 115.327 115.728 -0.401 18726 2523 1 4 . 1 1 51 51 ARG HA H 51 3.920 3.920 3.916 0.004 18726 2524 1 4 . 1 1 51 51 ARG CA C 51 56.894 56.894 56.919 -0.025 18726 2525 1 4 . 1 1 51 51 ARG CB C 51 27.559 27.559 27.339 0.220 18726 2526 1 4 . 1 1 51 51 ARG H H 51 7.782 7.782 7.422 0.360 18726 2527 1 4 . 1 1 52 52 ILE N N 52 118.612 118.612 118.226 0.386 18726 2528 1 4 . 1 1 52 52 ILE HA H 52 4.052 4.052 3.973 0.079 18726 2529 1 4 . 1 1 52 52 ILE CA C 52 59.465 59.465 59.794 -0.329 18726 2530 1 4 . 1 1 52 52 ILE CB C 52 36.778 36.778 37.574 -0.796 18726 2531 1 4 . 1 1 52 52 ILE H H 52 7.381 7.381 7.966 -0.585 18726 2532 1 4 . 1 1 53 53 ASN N N 53 124.728 124.728 125.525 -0.797 18726 2533 1 4 . 1 1 53 53 ASN HA H 53 4.435 4.435 4.485 -0.050 18726 2534 1 4 . 1 1 53 53 ASN CA C 53 54.219 54.219 53.889 0.330 18726 2535 1 4 . 1 1 53 53 ASN CB C 53 39.897 39.897 39.901 -0.004 18726 2536 1 4 . 1 1 53 53 ASN H H 53 8.503 8.503 8.514 -0.011 18726 2537 1 4 . 1 1 54 54 ALA HA H 54 4.064 4.064 4.096 -0.032 18726 2538 1 4 . 1 1 54 54 ALA CA C 54 55.772 55.772 54.912 0.860 18726 2539 1 4 . 1 1 54 54 ALA CB C 54 18.926 18.926 18.984 -0.058 18726 2540 1 4 . 1 1 55 55 GLY N N 55 108.675 108.675 106.727 1.948 18726 2541 1 4 . 1 1 55 55 GLY CA C 55 47.165 47.165 47.185 -0.020 18726 2542 1 4 . 1 1 55 55 GLY H H 55 8.479 8.479 8.819 -0.340 18726 2543 1 4 . 1 1 56 56 VAL N N 56 124.251 124.251 120.691 3.560 18726 2544 1 4 . 1 1 56 56 VAL HA H 56 3.687 3.687 3.875 -0.188 18726 2545 1 4 . 1 1 56 56 VAL CA C 56 66.160 66.160 63.958 2.202 18726 2546 1 4 . 1 1 56 56 VAL CB C 56 31.598 31.598 31.616 -0.018 18726 2547 1 4 . 1 1 56 56 VAL H H 56 8.035 8.035 7.504 0.531 18726 2548 1 4 . 1 1 57 57 SER N N 57 115.290 115.290 114.758 0.532 18726 2549 1 4 . 1 1 57 57 SER HA H 57 3.992 3.992 4.175 -0.183 18726 2550 1 4 . 1 1 57 57 SER CA C 57 62.881 62.881 61.601 1.280 18726 2551 1 4 . 1 1 57 57 SER CB C 57 62.733 62.733 62.578 0.155 18726 2552 1 4 . 1 1 57 57 SER H H 57 8.551 8.551 8.428 0.123 18726 2553 1 4 . 1 1 58 58 SER N N 58 117.711 117.711 118.117 -0.406 18726 2554 1 4 . 1 1 58 58 SER HA H 58 4.238 4.238 4.344 -0.106 18726 2555 1 4 . 1 1 58 58 SER CA C 58 61.656 61.656 60.800 0.856 18726 2556 1 4 . 1 1 58 58 SER CB C 58 62.800 62.800 63.120 -0.320 18726 2557 1 4 . 1 1 58 58 SER H H 58 8.176 8.176 7.847 0.329 18726 2558 1 4 . 1 1 59 59 GLN N N 59 122.746 122.746 121.267 1.479 18726 2559 1 4 . 1 1 59 59 GLN HA H 59 4.046 4.046 4.119 -0.073 18726 2560 1 4 . 1 1 59 59 GLN CA C 59 59.249 59.249 58.306 0.943 18726 2561 1 4 . 1 1 59 59 GLN CB C 59 28.980 28.980 28.321 0.659 18726 2562 1 4 . 1 1 59 59 GLN H H 59 7.737 7.737 7.608 0.129 18726 2563 1 4 . 1 1 60 60 LEU N N 60 121.748 121.748 121.620 0.128 18726 2564 1 4 . 1 1 60 60 LEU HA H 60 3.980 3.980 4.111 -0.131 18726 2565 1 4 . 1 1 60 60 LEU CA C 60 60.483 60.483 58.161 2.322 18726 2566 1 4 . 1 1 60 60 LEU CB C 60 43.378 43.378 42.237 1.141 18726 2567 1 4 . 1 1 60 60 LEU H H 60 8.804 8.804 8.095 0.709 18726 2568 1 4 . 1 1 61 61 THR N N 61 114.366 114.366 113.454 0.912 18726 2569 1 4 . 1 1 61 61 THR HA H 61 3.675 3.675 3.995 -0.320 18726 2570 1 4 . 1 1 61 61 THR CA C 61 67.713 67.713 66.284 1.429 18726 2571 1 4 . 1 1 61 61 THR CB C 61 67.968 67.968 68.499 -0.531 18726 2572 1 4 . 1 1 61 61 THR H H 61 8.654 8.654 7.663 0.991 18726 2573 1 4 . 1 1 62 62 SER N N 62 119.141 119.141 119.632 -0.491 18726 2574 1 4 . 1 1 62 62 SER HA H 62 4.232 4.232 4.209 0.023 18726 2575 1 4 . 1 1 62 62 SER CA C 62 62.217 62.217 62.117 0.100 18726 2576 1 4 . 1 1 62 62 SER CB C 62 62.900 62.900 62.934 -0.033 18726 2577 1 4 . 1 1 62 62 SER H H 62 8.161 8.161 7.605 0.556 18726 2578 1 4 . 1 1 63 63 ALA N N 63 124.393 124.393 124.251 0.142 18726 2579 1 4 . 1 1 63 63 ALA HA H 63 4.178 4.178 4.192 -0.014 18726 2580 1 4 . 1 1 63 63 ALA CA C 63 55.418 55.418 54.963 0.455 18726 2581 1 4 . 1 1 63 63 ALA CB C 63 19.066 19.066 18.287 0.779 18726 2582 1 4 . 1 1 63 63 ALA H H 63 7.921 7.921 7.934 -0.013 18726 2583 1 4 . 1 1 64 64 VAL N N 64 118.888 118.888 119.199 -0.311 18726 2584 1 4 . 1 1 64 64 VAL HA H 64 3.765 3.765 3.725 0.040 18726 2585 1 4 . 1 1 64 64 VAL CA C 64 66.419 66.419 65.842 0.577 18726 2586 1 4 . 1 1 64 64 VAL CB C 64 31.966 31.966 30.987 0.979 18726 2587 1 4 . 1 1 64 64 VAL H H 64 8.548 8.548 8.368 0.180 18726 2588 1 4 . 1 1 65 65 SER N N 65 115.469 115.469 114.709 0.760 18726 2589 1 4 . 1 1 65 65 SER HA H 65 3.920 3.920 4.107 -0.187 18726 2590 1 4 . 1 1 65 65 SER CA C 65 63.235 63.235 62.107 1.128 18726 2591 1 4 . 1 1 65 65 SER CB C 65 63.291 63.291 62.738 0.553 18726 2592 1 4 . 1 1 65 65 SER H H 65 8.360 8.360 8.383 -0.023 18726 2593 1 4 . 1 1 66 66 GLN N N 66 118.918 118.918 122.821 -3.903 18726 2594 1 4 . 1 1 66 66 GLN HA H 66 3.938 3.938 4.098 -0.160 18726 2595 1 4 . 1 1 66 66 GLN CA C 66 58.844 58.844 58.626 0.219 18726 2596 1 4 . 1 1 66 66 GLN CB C 66 28.810 28.810 28.525 0.285 18726 2597 1 4 . 1 1 66 66 GLN H H 66 7.676 7.676 7.508 0.168 18726 2598 1 4 . 1 1 67 67 ALA N N 67 120.720 120.720 120.651 0.069 18726 2599 1 4 . 1 1 67 67 ALA HA H 67 4.154 4.154 4.110 0.044 18726 2600 1 4 . 1 1 67 67 ALA CA C 67 55.323 55.323 54.909 0.414 18726 2601 1 4 . 1 1 67 67 ALA CB C 67 19.483 19.483 18.794 0.689 18726 2602 1 4 . 1 1 67 67 ALA H H 67 7.390 7.390 7.901 -0.511 18726 2603 1 4 . 1 1 68 68 VAL N N 68 119.335 119.335 116.824 2.511 18726 2604 1 4 . 1 1 68 68 VAL HA H 68 3.447 3.447 3.714 -0.267 18726 2605 1 4 . 1 1 68 68 VAL CA C 68 66.591 66.591 65.200 1.391 18726 2606 1 4 . 1 1 68 68 VAL CB C 68 31.514 31.514 31.259 0.254 18726 2607 1 4 . 1 1 68 68 VAL H H 68 9.069 9.069 7.981 1.088 18726 2608 1 4 . 1 1 69 69 ALA N N 69 122.568 122.568 119.496 3.072 18726 2609 1 4 . 1 1 69 69 ALA HA H 69 3.962 3.962 4.310 -0.348 18726 2610 1 4 . 1 1 69 69 ALA CA C 69 54.512 54.512 53.539 0.973 18726 2611 1 4 . 1 1 69 69 ALA CB C 69 18.035 18.035 18.523 -0.489 18726 2612 1 4 . 1 1 69 69 ALA H H 69 8.370 8.370 7.747 0.623 18726 2613 1 4 . 1 1 70 70 ASN N N 70 113.242 113.242 116.545 -3.303 18726 2614 1 4 . 1 1 70 70 ASN HA H 70 4.651 4.651 4.714 -0.063 18726 2615 1 4 . 1 1 70 70 ASN CA C 70 52.994 52.994 54.220 -1.226 18726 2616 1 4 . 1 1 70 70 ASN CB C 70 39.897 39.897 39.664 0.233 18726 2617 1 4 . 1 1 70 70 ASN H H 70 6.987 6.987 7.517 -0.530 18726 2618 1 4 . 1 1 71 71 VAL N N 71 122.456 122.456 120.034 2.422 18726 2619 1 4 . 1 1 71 71 VAL HA H 71 3.591 3.591 3.776 -0.185 18726 2620 1 4 . 1 1 71 71 VAL CA C 71 63.037 63.037 62.687 0.350 18726 2621 1 4 . 1 1 71 71 VAL CB C 71 31.598 31.598 32.023 -0.424 18726 2622 1 4 . 1 1 71 71 VAL H H 71 7.284 7.284 7.507 -0.223 18726 2623 1 4 . 1 1 72 72 ARG N N 72 108.757 108.757 117.087 -8.330 18726 2624 1 4 . 1 1 72 72 ARG HA H 72 4.387 4.387 4.041 0.346 18726 2625 1 4 . 1 1 72 72 ARG CA C 72 54.487 54.487 56.427 -1.940 18726 2626 1 4 . 1 1 72 72 ARG CB C 72 29.840 29.840 27.518 2.322 18726 2627 1 4 . 1 1 72 72 ARG H H 72 8.700 8.700 7.692 1.008 18726 2628 1 4 . 1 1 73 73 PRO HA H 73 4.399 4.399 4.625 -0.226 18726 2629 1 4 . 1 1 73 73 PRO CA C 73 64.339 64.339 63.336 1.003 18726 2630 1 4 . 1 1 73 73 PRO CB C 73 32.043 32.043 32.083 -0.040 18726 2631 1 4 . 1 1 74 74 GLY N N 74 111.647 111.647 108.445 3.202 18726 2632 1 4 . 1 1 74 74 GLY CA C 74 45.188 45.188 45.117 0.070 18726 2633 1 4 . 1 1 74 74 GLY H H 74 9.447 9.447 8.898 0.549 18726 2634 1 4 . 1 1 75 75 SER N N 75 116.057 116.057 115.931 0.126 18726 2635 1 4 . 1 1 75 75 SER HA H 75 4.477 4.477 4.707 -0.230 18726 2636 1 4 . 1 1 75 75 SER CA C 75 60.509 60.509 56.498 4.011 18726 2637 1 4 . 1 1 75 75 SER CB C 75 64.710 64.710 65.515 -0.805 18726 2638 1 4 . 1 1 75 75 SER H H 75 7.600 7.600 8.023 -0.423 18726 2639 1 4 . 1 1 76 76 SER N N 76 118.456 118.456 118.971 -0.515 18726 2640 1 4 . 1 1 76 76 SER HA H 76 4.693 4.693 4.516 0.176 18726 2641 1 4 . 1 1 76 76 SER CA C 76 57.247 57.247 57.567 -0.320 18726 2642 1 4 . 1 1 76 76 SER CB C 76 63.011 63.011 63.651 -0.639 18726 2643 1 4 . 1 1 76 76 SER H H 76 8.726 8.726 8.868 -0.142 18726 2644 1 4 . 1 1 77 77 PRO HA H 77 4.262 4.262 4.432 -0.170 18726 2645 1 4 . 1 1 77 77 PRO CA C 77 66.565 66.565 64.592 1.973 18726 2646 1 4 . 1 1 77 77 PRO CB C 77 32.350 32.350 31.921 0.429 18726 2647 1 4 . 1 1 78 78 ALA N N 78 117.189 117.189 121.439 -4.250 18726 2648 1 4 . 1 1 78 78 ALA HA H 78 4.513 4.513 4.275 0.238 18726 2649 1 4 . 1 1 78 78 ALA CA C 78 54.590 54.590 54.561 0.029 18726 2650 1 4 . 1 1 78 78 ALA CB C 78 18.982 18.982 18.590 0.393 18726 2651 1 4 . 1 1 78 78 ALA H H 78 8.085 8.085 8.334 -0.249 18726 2652 1 4 . 1 1 79 79 VAL N N 79 119.946 119.946 116.172 3.774 18726 2653 1 4 . 1 1 79 79 VAL HA H 79 3.609 3.609 3.763 -0.154 18726 2654 1 4 . 1 1 79 79 VAL CA C 79 66.307 66.307 65.439 0.868 18726 2655 1 4 . 1 1 79 79 VAL CB C 79 31.820 31.820 30.364 1.456 18726 2656 1 4 . 1 1 79 79 VAL H H 79 7.741 7.741 7.515 0.226 18726 2657 1 4 . 1 1 80 80 TYR N N 80 117.577 117.577 120.296 -2.719 18726 2658 1 4 . 1 1 80 80 TYR HA H 80 3.867 3.867 4.042 -0.175 18726 2659 1 4 . 1 1 80 80 TYR CA C 80 63.675 63.675 62.468 1.207 18726 2660 1 4 . 1 1 80 80 TYR CB C 80 39.924 39.924 37.795 2.128 18726 2661 1 4 . 1 1 80 80 TYR H H 80 7.207 7.207 7.501 -0.294 18726 2662 1 4 . 1 1 81 81 ALA N N 81 118.761 118.761 119.328 -0.567 18726 2663 1 4 . 1 1 81 81 ALA HA H 81 3.711 3.711 3.928 -0.217 18726 2664 1 4 . 1 1 81 81 ALA CA C 81 55.781 55.781 55.167 0.613 18726 2665 1 4 . 1 1 81 81 ALA CB C 81 20.792 20.792 18.220 2.572 18726 2666 1 4 . 1 1 81 81 ALA H H 81 8.962 8.962 8.053 0.909 18726 2667 1 4 . 1 1 82 82 LYS N N 82 117.778 117.778 119.270 -1.492 18726 2668 1 4 . 1 1 82 82 LYS HA H 82 3.807 3.807 4.091 -0.284 18726 2669 1 4 . 1 1 82 82 LYS CA C 82 60.155 60.155 58.823 1.332 18726 2670 1 4 . 1 1 82 82 LYS CB C 82 32.322 32.322 32.543 -0.221 18726 2671 1 4 . 1 1 82 82 LYS H H 82 7.727 7.727 7.640 0.087 18726 2672 1 4 . 1 1 83 83 ALA N N 83 120.810 120.810 120.723 0.087 18726 2673 1 4 . 1 1 83 83 ALA HA H 83 4.022 4.022 4.188 -0.166 18726 2674 1 4 . 1 1 83 83 ALA CA C 83 54.366 54.366 54.691 -0.325 18726 2675 1 4 . 1 1 83 83 ALA CB C 83 18.453 18.453 18.229 0.224 18726 2676 1 4 . 1 1 83 83 ALA H H 83 7.182 7.182 8.055 -0.873 18726 2677 1 4 . 1 1 84 84 ILE N N 84 109.964 109.964 115.624 -5.660 18726 2678 1 4 . 1 1 84 84 ILE HA H 84 3.861 3.861 3.987 -0.126 18726 2679 1 4 . 1 1 84 84 ILE CA C 84 63.373 63.373 62.955 0.418 18726 2680 1 4 . 1 1 84 84 ILE CB C 84 40.342 40.342 38.663 1.679 18726 2681 1 4 . 1 1 84 84 ILE H H 84 7.109 7.109 7.083 0.026 18726 2682 1 4 . 1 1 85 85 ALA N N 85 120.162 120.162 123.030 -2.868 18726 2683 1 4 . 1 1 85 85 ALA HA H 85 3.777 3.777 4.326 -0.549 18726 2684 1 4 . 1 1 85 85 ALA CA C 85 55.789 55.789 54.632 1.157 18726 2685 1 4 . 1 1 85 85 ALA CB C 85 20.931 20.931 18.162 2.769 18726 2686 1 4 . 1 1 85 85 ALA H H 85 8.770 8.770 7.727 1.043 18726 2687 1 4 . 1 1 86 86 ALA N N 86 116.824 116.824 123.052 -6.228 18726 2688 1 4 . 1 1 86 86 ALA HA H 86 4.310 4.310 4.076 0.234 18726 2689 1 4 . 1 1 86 86 ALA CA C 86 56.756 56.756 56.651 0.105 18726 2690 1 4 . 1 1 86 86 ALA CB C 86 15.417 15.417 16.362 -0.945 18726 2691 1 4 . 1 1 86 86 ALA H H 86 8.513 8.513 8.548 -0.035 18726 2692 1 4 . 1 1 87 87 PRO HA H 87 4.405 4.405 4.332 0.073 18726 2693 1 4 . 1 1 87 87 PRO CA C 87 65.185 65.185 65.314 -0.129 18726 2694 1 4 . 1 1 87 87 PRO CB C 87 30.734 30.734 31.150 -0.416 18726 2695 1 4 . 1 1 88 88 SER N N 88 108.653 108.653 114.839 -6.186 18726 2696 1 4 . 1 1 88 88 SER HA H 88 3.861 3.861 4.255 -0.394 18726 2697 1 4 . 1 1 88 88 SER CA C 88 62.735 62.735 62.618 0.117 18726 2698 1 4 . 1 1 88 88 SER CB C 88 63.039 63.039 63.267 -0.228 18726 2699 1 4 . 1 1 88 88 SER H H 88 6.474 6.474 7.805 -1.331 18726 2700 1 4 . 1 1 89 89 VAL N N 89 120.951 120.951 120.315 0.636 18726 2701 1 4 . 1 1 89 89 VAL HA H 89 3.226 3.226 3.728 -0.502 18726 2702 1 4 . 1 1 89 89 VAL CA C 89 67.644 67.644 65.977 1.667 18726 2703 1 4 . 1 1 89 89 VAL CB C 89 30.929 30.929 31.084 -0.155 18726 2704 1 4 . 1 1 89 89 VAL H H 89 8.220 8.220 8.434 -0.214 18726 2705 1 4 . 1 1 90 90 GLN N N 90 117.435 117.435 119.199 -1.764 18726 2706 1 4 . 1 1 90 90 GLN HA H 90 3.873 3.873 3.992 -0.119 18726 2707 1 4 . 1 1 90 90 GLN CA C 90 59.818 59.818 58.981 0.837 18726 2708 1 4 . 1 1 90 90 GLN CB C 90 28.256 28.256 28.290 -0.034 18726 2709 1 4 . 1 1 90 90 GLN H H 90 7.922 7.922 8.039 -0.117 18726 2710 1 4 . 1 1 91 91 ILE N N 91 117.875 117.875 120.171 -2.296 18726 2711 1 4 . 1 1 91 91 ILE HA H 91 4.052 4.052 3.833 0.219 18726 2712 1 4 . 1 1 91 91 ILE CA C 91 63.201 63.201 64.132 -0.931 18726 2713 1 4 . 1 1 91 91 ILE CB C 91 37.613 37.613 38.309 -0.696 18726 2714 1 4 . 1 1 91 91 ILE H H 91 7.532 7.532 7.357 0.175 18726 2715 1 4 . 1 1 92 92 LEU N N 92 123.357 123.357 120.322 3.035 18726 2716 1 4 . 1 1 92 92 LEU HA H 92 3.807 3.807 4.019 -0.212 18726 2717 1 4 . 1 1 92 92 LEU CA C 92 59.171 59.171 58.166 1.005 18726 2718 1 4 . 1 1 92 92 LEU CB C 92 41.205 41.205 41.864 -0.659 18726 2719 1 4 . 1 1 92 92 LEU H H 92 8.481 8.481 8.180 0.301 18726 2720 1 4 . 1 1 93 93 VAL N N 93 118.180 118.180 118.535 -0.355 18726 2721 1 4 . 1 1 93 93 VAL HA H 93 3.873 3.873 3.981 -0.108 18726 2722 1 4 . 1 1 93 93 VAL CA C 93 66.496 66.496 64.715 1.781 18726 2723 1 4 . 1 1 93 93 VAL CB C 93 31.765 31.765 31.813 -0.048 18726 2724 1 4 . 1 1 93 93 VAL H H 93 8.777 8.777 8.469 0.308 18726 2725 1 4 . 1 1 94 94 SER N N 94 118.471 118.471 114.894 3.577 18726 2726 1 4 . 1 1 94 94 SER HA H 94 4.226 4.226 4.338 -0.112 18726 2727 1 4 . 1 1 94 94 SER CA C 94 62.390 62.390 60.752 1.638 18726 2728 1 4 . 1 1 94 94 SER CB C 94 62.733 62.733 63.332 -0.599 18726 2729 1 4 . 1 1 94 94 SER H H 94 8.660 8.660 7.667 0.993 18726 2730 1 4 . 1 1 95 95 SER N N 95 112.698 112.698 114.397 -1.699 18726 2731 1 4 . 1 1 95 95 SER HA H 95 4.441 4.441 4.670 -0.229 18726 2732 1 4 . 1 1 95 95 SER CA C 95 59.301 59.301 57.822 1.479 18726 2733 1 4 . 1 1 95 95 SER CB C 95 65.935 65.935 63.474 2.461 18726 2734 1 4 . 1 1 95 95 SER H H 95 8.048 8.048 7.626 0.422 18726 2735 1 4 . 1 1 96 96 GLY N N 96 110.277 110.277 109.655 0.622 18726 2736 1 4 . 1 1 96 96 GLY CA C 96 45.968 45.968 45.656 0.312 18726 2737 1 4 . 1 1 96 96 GLY H H 96 7.955 7.955 7.386 0.569 18726 2738 1 4 . 1 1 97 97 SER N N 97 115.595 115.595 116.077 -0.482 18726 2739 1 4 . 1 1 97 97 SER HA H 97 4.292 4.292 4.193 0.099 18726 2740 1 4 . 1 1 97 97 SER CA C 97 61.535 61.535 60.609 0.926 18726 2741 1 4 . 1 1 97 97 SER CB C 97 64.042 64.042 63.652 0.390 18726 2742 1 4 . 1 1 97 97 SER H H 97 8.216 8.216 7.993 0.223 18726 2743 1 4 . 1 1 98 98 VAL N N 98 116.579 116.579 116.485 0.094 18726 2744 1 4 . 1 1 98 98 VAL HA H 98 4.884 4.884 4.365 0.519 18726 2745 1 4 . 1 1 98 98 VAL CA C 98 59.111 59.111 60.317 -1.206 18726 2746 1 4 . 1 1 98 98 VAL CB C 98 35.051 35.051 33.641 1.410 18726 2747 1 4 . 1 1 98 98 VAL H H 98 7.288 7.288 7.403 -0.115 18726 2748 1 4 . 1 1 99 99 ASN N N 99 123.722 123.722 124.008 -0.286 18726 2749 1 4 . 1 1 99 99 ASN HA H 99 4.627 4.627 4.915 -0.288 18726 2750 1 4 . 1 1 99 99 ASN CA C 99 51.838 51.838 51.848 -0.010 18726 2751 1 4 . 1 1 99 99 ASN CB C 99 40.676 40.676 40.756 -0.080 18726 2752 1 4 . 1 1 99 99 ASN H H 99 9.179 9.179 8.650 0.529 18726 2753 1 4 . 1 1 100 100 ASN N N 100 115.148 115.148 118.729 -3.581 18726 2754 1 4 . 1 1 100 100 ASN HA H 100 4.292 4.292 4.802 -0.510 18726 2755 1 4 . 1 1 100 100 ASN CA C 100 56.894 56.894 53.627 3.267 18726 2756 1 4 . 1 1 100 100 ASN CB C 100 38.281 38.281 36.950 1.331 18726 2757 1 4 . 1 1 100 100 ASN H H 100 8.667 8.667 8.732 -0.065 18726 2758 1 4 . 1 1 101 101 ASN N N 101 115.201 115.201 117.540 -2.339 18726 2759 1 4 . 1 1 101 101 ASN HA H 101 4.711 4.711 4.694 0.017 18726 2760 1 4 . 1 1 101 101 ASN CA C 101 55.306 55.306 55.251 0.055 18726 2761 1 4 . 1 1 101 101 ASN CB C 101 39.256 39.256 39.862 -0.606 18726 2762 1 4 . 1 1 101 101 ASN H H 101 8.471 8.471 8.218 0.253 18726 2763 1 4 . 1 1 102 102 ASN N N 102 116.780 116.780 118.126 -1.346 18726 2764 1 4 . 1 1 102 102 ASN HA H 102 5.124 5.124 4.925 0.199 18726 2765 1 4 . 1 1 102 102 ASN CA C 102 51.950 51.950 53.204 -1.254 18726 2766 1 4 . 1 1 102 102 ASN CB C 102 39.089 39.089 39.842 -0.753 18726 2767 1 4 . 1 1 102 102 ASN H H 102 7.854 7.854 7.939 -0.085 18726 2768 1 4 . 1 1 103 103 ALA N N 103 121.808 121.808 124.282 -2.474 18726 2769 1 4 . 1 1 103 103 ALA HA H 103 3.747 3.747 3.889 -0.142 18726 2770 1 4 . 1 1 103 103 ALA CA C 103 57.058 57.058 55.909 1.149 18726 2771 1 4 . 1 1 103 103 ALA CB C 103 19.511 19.511 18.584 0.926 18726 2772 1 4 . 1 1 103 103 ALA H H 103 7.447 7.447 7.807 -0.360 18726 2773 1 4 . 1 1 104 104 LYS N N 104 114.873 114.873 117.516 -2.643 18726 2774 1 4 . 1 1 104 104 LYS HA H 104 3.992 3.992 3.984 0.008 18726 2775 1 4 . 1 1 104 104 LYS CA C 104 60.284 60.284 59.040 1.244 18726 2776 1 4 . 1 1 104 104 LYS CB C 104 32.322 32.322 31.582 0.740 18726 2777 1 4 . 1 1 104 104 LYS H H 104 8.344 8.344 8.630 -0.286 18726 2778 1 4 . 1 1 105 105 GLN N N 105 120.720 120.720 119.702 1.018 18726 2779 1 4 . 1 1 105 105 GLN HA H 105 4.094 4.094 4.143 -0.049 18726 2780 1 4 . 1 1 105 105 GLN CA C 105 59.137 59.137 59.729 -0.592 18726 2781 1 4 . 1 1 105 105 GLN CB C 105 28.339 28.339 28.542 -0.203 18726 2782 1 4 . 1 1 105 105 GLN H H 105 7.892 7.892 7.430 0.462 18726 2783 1 4 . 1 1 106 106 VAL N N 106 120.556 120.556 120.114 0.442 18726 2784 1 4 . 1 1 106 106 VAL HA H 106 3.567 3.567 3.776 -0.209 18726 2785 1 4 . 1 1 106 106 VAL CA C 106 66.496 66.496 65.061 1.435 18726 2786 1 4 . 1 1 106 106 VAL CB C 106 31.848 31.848 31.378 0.470 18726 2787 1 4 . 1 1 106 106 VAL H H 106 8.693 8.693 8.684 0.009 18726 2788 1 4 . 1 1 107 107 ALA N N 107 119.655 119.655 121.698 -2.043 18726 2789 1 4 . 1 1 107 107 ALA HA H 107 3.813 3.813 3.945 -0.132 18726 2790 1 4 . 1 1 107 107 ALA CA C 107 55.884 55.884 55.277 0.607 18726 2791 1 4 . 1 1 107 107 ALA CB C 107 18.174 18.174 18.039 0.135 18726 2792 1 4 . 1 1 107 107 ALA H H 107 8.750 8.750 8.089 0.661 18726 2793 1 4 . 1 1 108 108 SER N N 108 115.469 115.469 113.941 1.528 18726 2794 1 4 . 1 1 108 108 SER HA H 108 4.304 4.304 4.189 0.115 18726 2795 1 4 . 1 1 108 108 SER CA C 108 61.950 61.950 61.095 0.855 18726 2796 1 4 . 1 1 108 108 SER CB C 108 63.290 63.290 63.347 -0.057 18726 2797 1 4 . 1 1 108 108 SER H H 108 8.162 8.162 7.799 0.363 18726 2798 1 4 . 1 1 109 109 THR N N 109 119.201 119.201 119.887 -0.686 18726 2799 1 4 . 1 1 109 109 THR HA H 109 4.052 4.052 4.038 0.014 18726 2800 1 4 . 1 1 109 109 THR CA C 109 67.195 67.195 66.194 1.001 18726 2801 1 4 . 1 1 109 109 THR CB C 109 68.832 68.832 68.877 -0.045 18726 2802 1 4 . 1 1 109 109 THR H H 109 8.218 8.218 7.930 0.288 18726 2803 1 4 . 1 1 110 110 LEU N N 110 122.329 122.329 123.764 -1.435 18726 2804 1 4 . 1 1 110 110 LEU HA H 110 3.920 3.920 3.896 0.024 18726 2805 1 4 . 1 1 110 110 LEU CA C 110 59.025 59.025 59.252 -0.227 18726 2806 1 4 . 1 1 110 110 LEU CB C 110 43.211 43.211 41.913 1.298 18726 2807 1 4 . 1 1 110 110 LEU H H 110 9.083 9.083 8.466 0.617 18726 2808 1 4 . 1 1 111 111 SER N N 111 113.018 113.018 113.803 -0.785 18726 2809 1 4 . 1 1 111 111 SER HA H 111 3.747 3.747 4.061 -0.314 18726 2810 1 4 . 1 1 111 111 SER CA C 111 63.848 63.848 62.471 1.377 18726 2811 1 4 . 1 1 111 111 SER CB C 111 63.958 63.958 62.612 1.346 18726 2812 1 4 . 1 1 111 111 SER H H 111 8.052 8.052 7.827 0.225 18726 2813 1 4 . 1 1 112 112 GLU N N 112 122.329 122.329 123.299 -0.970 18726 2814 1 4 . 1 1 112 112 GLU HA H 112 3.741 3.741 3.901 -0.160 18726 2815 1 4 . 1 1 112 112 GLU CA C 112 60.431 60.431 59.658 0.773 18726 2816 1 4 . 1 1 112 112 GLU CB C 112 29.199 29.199 29.527 -0.328 18726 2817 1 4 . 1 1 112 112 GLU H H 112 8.358 8.358 7.887 0.471 18726 2818 1 4 . 1 1 113 113 ASN N N 113 113.629 113.629 118.285 -4.656 18726 2819 1 4 . 1 1 113 113 ASN HA H 113 4.375 4.375 4.519 -0.144 18726 2820 1 4 . 1 1 113 113 ASN CA C 113 57.523 57.523 56.554 0.969 18726 2821 1 4 . 1 1 113 113 ASN CB C 113 40.788 40.788 38.949 1.839 18726 2822 1 4 . 1 1 113 113 ASN H H 113 7.265 7.265 8.408 -1.143 18726 2823 1 4 . 1 1 114 114 LEU N N 114 118.054 118.054 122.698 -4.644 18726 2824 1 4 . 1 1 114 114 LEU HA H 114 3.944 3.944 4.105 -0.161 18726 2825 1 4 . 1 1 114 114 LEU CA C 114 58.619 58.619 58.439 0.180 18726 2826 1 4 . 1 1 114 114 LEU CB C 114 43.489 43.489 42.142 1.347 18726 2827 1 4 . 1 1 114 114 LEU H H 114 8.417 8.417 8.654 -0.237 18726 2828 1 4 . 1 1 115 115 VAL N N 115 115.990 115.990 118.584 -2.594 18726 2829 1 4 . 1 1 115 115 VAL HA H 115 3.561 3.561 3.606 -0.044 18726 2830 1 4 . 1 1 115 115 VAL CA C 115 67.730 67.730 66.808 0.923 18726 2831 1 4 . 1 1 115 115 VAL CB C 115 31.820 31.820 31.188 0.632 18726 2832 1 4 . 1 1 115 115 VAL H H 115 8.051 8.051 8.471 -0.420 18726 2833 1 4 . 1 1 116 116 ARG N N 116 116.541 116.541 120.901 -4.360 18726 2834 1 4 . 1 1 116 116 ARG HA H 116 3.771 3.771 3.948 -0.177 18726 2835 1 4 . 1 1 116 116 ARG CA C 116 60.552 60.552 60.070 0.482 18726 2836 1 4 . 1 1 116 116 ARG CB C 116 30.790 30.790 30.044 0.746 18726 2837 1 4 . 1 1 116 116 ARG H H 116 7.799 7.799 7.864 -0.066 18726 2838 1 4 . 1 1 117 117 GLU N N 117 116.013 116.013 119.374 -3.361 18726 2839 1 4 . 1 1 117 117 GLU HA H 117 4.627 4.627 4.185 0.442 18726 2840 1 4 . 1 1 117 117 GLU CA C 117 57.593 57.593 58.837 -1.244 18726 2841 1 4 . 1 1 117 117 GLU CB C 117 28.952 28.952 29.236 -0.284 18726 2842 1 4 . 1 1 117 117 GLU H H 117 8.089 8.089 8.015 0.074 18726 2843 1 4 . 1 1 118 118 MET N N 118 120.497 120.497 120.057 0.440 18726 2844 1 4 . 1 1 118 118 MET HA H 118 4.046 4.046 4.324 -0.278 18726 2845 1 4 . 1 1 118 118 MET CA C 118 60.845 60.845 59.615 1.230 18726 2846 1 4 . 1 1 118 118 MET CB C 118 34.132 34.132 32.573 1.559 18726 2847 1 4 . 1 1 118 118 MET H H 118 8.751 8.751 8.609 0.142 18726 2848 1 4 . 1 1 119 119 ALA N N 119 119.171 119.171 121.079 -1.908 18726 2849 1 4 . 1 1 119 119 ALA HA H 119 3.819 3.819 3.997 -0.178 18726 2850 1 4 . 1 1 119 119 ALA CA C 119 55.979 55.979 55.406 0.574 18726 2851 1 4 . 1 1 119 119 ALA CB C 119 18.954 18.954 18.285 0.669 18726 2852 1 4 . 1 1 119 119 ALA H H 119 7.903 7.903 8.618 -0.715 18726 2853 1 4 . 1 1 120 120 ASN N N 120 115.223 115.223 116.222 -0.999 18726 2854 1 4 . 1 1 120 120 ASN HA H 120 4.465 4.465 4.475 -0.010 18726 2855 1 4 . 1 1 120 120 ASN CA C 120 56.480 56.480 56.123 0.357 18726 2856 1 4 . 1 1 120 120 ASN CB C 120 38.922 38.922 38.386 0.536 18726 2857 1 4 . 1 1 120 120 ASN H H 120 7.687 7.687 7.976 -0.289 18726 2858 1 4 . 1 1 121 121 THR N N 121 117.264 117.264 115.801 1.463 18726 2859 1 4 . 1 1 121 121 THR HA H 121 3.956 3.956 4.219 -0.263 18726 2860 1 4 . 1 1 121 121 THR CA C 121 67.074 67.074 66.047 1.027 18726 2861 1 4 . 1 1 121 121 THR CB C 121 68.247 68.247 69.028 -0.781 18726 2862 1 4 . 1 1 121 121 THR H H 121 8.726 8.726 7.895 0.831 18726 2863 1 4 . 1 1 122 122 ALA N N 122 123.581 123.581 125.358 -1.777 18726 2864 1 4 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.307 -0.351 18726 2865 1 4 . 1 1 122 122 ALA CA C 122 55.824 55.824 55.040 0.784 18726 2866 1 4 . 1 1 122 122 ALA CB C 122 16.782 16.782 18.343 -1.561 18726 2867 1 4 . 1 1 122 122 ALA H H 122 8.955 8.955 8.701 0.254 18726 2868 1 4 . 1 1 123 123 ARG N N 123 116.698 116.698 117.794 -1.096 18726 2869 1 4 . 1 1 123 123 ARG HA H 123 4.190 4.190 4.131 0.059 18726 2870 1 4 . 1 1 123 123 ARG CA C 123 59.732 59.732 59.023 0.709 18726 2871 1 4 . 1 1 123 123 ARG CB C 123 30.233 30.233 29.723 0.510 18726 2872 1 4 . 1 1 123 123 ARG H H 123 7.439 7.439 8.429 -0.990 18726 2873 1 4 . 1 1 124 124 ARG N N 124 119.231 119.231 118.678 0.553 18726 2874 1 4 . 1 1 124 124 ARG HA H 124 4.082 4.082 4.109 -0.027 18726 2875 1 4 . 1 1 124 124 ARG CA C 124 58.240 58.240 57.875 0.365 18726 2876 1 4 . 1 1 124 124 ARG CB C 124 29.314 29.314 29.899 -0.585 18726 2877 1 4 . 1 1 124 124 ARG H H 124 7.669 7.669 7.683 -0.014 18726 2878 1 4 . 1 1 125 125 TYR N N 125 118.650 118.650 117.520 1.130 18726 2879 1 4 . 1 1 125 125 TYR HA H 125 4.567 4.567 4.615 -0.048 18726 2880 1 4 . 1 1 125 125 TYR CA C 125 57.748 57.748 57.471 0.277 18726 2881 1 4 . 1 1 125 125 TYR CB C 125 38.059 38.059 37.596 0.463 18726 2882 1 4 . 1 1 125 125 TYR H H 125 7.606 7.606 7.685 -0.079 18726 2883 1 4 . 1 1 126 126 ARG N N 126 110.322 110.322 117.922 -7.600 18726 2884 1 4 . 1 1 126 126 ARG HA H 126 3.789 3.789 4.112 -0.323 18726 2885 1 4 . 1 1 126 126 ARG CA C 126 57.860 57.860 56.910 0.950 18726 2886 1 4 . 1 1 126 126 ARG CB C 126 27.866 27.866 28.008 -0.142 18726 2887 1 4 . 1 1 126 126 ARG H H 126 7.657 7.657 7.721 -0.064 18726 2888 1 4 . 1 1 127 127 VAL N N 127 120.877 120.877 114.653 6.224 18726 2889 1 4 . 1 1 127 127 VAL HA H 127 4.004 4.004 4.159 -0.155 18726 2890 1 4 . 1 1 127 127 VAL CA C 127 62.105 62.105 62.381 -0.276 18726 2891 1 4 . 1 1 127 127 VAL CB C 127 31.681 31.681 32.235 -0.554 18726 2892 1 4 . 1 1 127 127 VAL H H 127 7.601 7.601 7.743 -0.142 18726 2893 1 4 . 1 1 128 128 ASN N N 128 125.726 125.726 118.241 7.485 18726 2894 1 4 . 1 1 128 128 ASN HA H 128 4.663 4.663 4.368 0.295 18726 2895 1 4 . 1 1 128 128 ASN CA C 128 52.787 52.787 54.117 -1.331 18726 2896 1 4 . 1 1 128 128 ASN CB C 128 39.476 39.476 38.459 1.017 18726 2897 1 4 . 1 1 128 128 ASN H H 128 8.604 8.604 7.787 0.817 18726 2898 1 4 . 1 1 129 129 VAL N N 129 126.963 126.963 122.352 4.611 18726 2899 1 4 . 1 1 129 129 VAL HA H 129 4.286 4.286 4.409 -0.123 18726 2900 1 4 . 1 1 129 129 VAL CA C 129 59.637 59.637 59.257 0.380 18726 2901 1 4 . 1 1 129 129 VAL CB C 129 33.101 33.101 32.365 0.736 18726 2902 1 4 . 1 1 129 129 VAL H H 129 8.223 8.223 8.258 -0.035 18726 2903 1 4 . 1 1 130 130 PRO HA H 130 4.435 4.435 4.607 -0.172 18726 2904 1 4 . 1 1 130 130 PRO CA C 130 63.045 63.045 61.995 1.050 18726 2905 1 4 . 1 1 130 130 PRO CB C 130 32.795 32.795 33.017 -0.222 18726 2906 1 4 . 1 1 131 131 GLU N N 131 125.786 125.786 122.595 3.191 18726 2907 1 4 . 1 1 131 131 GLU HA H 131 3.944 3.944 3.946 -0.002 18726 2908 1 4 . 1 1 131 131 GLU CA C 131 60.431 60.431 59.963 0.468 18726 2909 1 4 . 1 1 131 131 GLU CB C 131 29.147 29.147 28.943 0.204 18726 2910 1 4 . 1 1 131 131 GLU H H 131 9.135 9.135 8.932 0.203 18726 2911 1 4 . 1 1 132 132 ALA N N 132 119.640 119.640 120.386 -0.746 18726 2912 1 4 . 1 1 132 132 ALA HA H 132 4.183 4.183 4.155 0.028 18726 2913 1 4 . 1 1 132 132 ALA CA C 132 55.341 55.341 54.647 0.694 18726 2914 1 4 . 1 1 132 132 ALA CB C 132 18.314 18.314 18.239 0.075 18726 2915 1 4 . 1 1 132 132 ALA H H 132 9.105 9.105 8.267 0.838 18726 2916 1 4 . 1 1 133 133 SER N N 133 114.523 114.523 113.020 1.503 18726 2917 1 4 . 1 1 133 133 SER HA H 133 4.328 4.328 4.320 0.008 18726 2918 1 4 . 1 1 133 133 SER CA C 133 61.673 61.673 60.294 1.379 18726 2919 1 4 . 1 1 133 133 SER CB C 133 62.621 62.621 64.040 -1.419 18726 2920 1 4 . 1 1 133 133 SER H H 133 7.417 7.417 7.838 -0.421 18726 2921 1 4 . 1 1 134 134 VAL N N 134 124.609 124.609 122.385 2.224 18726 2922 1 4 . 1 1 134 134 VAL HA H 134 3.495 3.495 3.610 -0.115 18726 2923 1 4 . 1 1 134 134 VAL CA C 134 66.867 66.867 66.745 0.122 18726 2924 1 4 . 1 1 134 134 VAL CB C 134 31.514 31.514 31.613 -0.099 18726 2925 1 4 . 1 1 134 134 VAL H H 134 7.731 7.731 7.952 -0.221 18726 2926 1 4 . 1 1 135 135 GLN N N 135 118.590 118.590 118.869 -0.279 18726 2927 1 4 . 1 1 135 135 GLN HA H 135 3.932 3.932 4.000 -0.068 18726 2928 1 4 . 1 1 135 135 GLN CA C 135 59.154 59.154 59.029 0.125 18726 2929 1 4 . 1 1 135 135 GLN CB C 135 27.810 27.810 27.236 0.574 18726 2930 1 4 . 1 1 135 135 GLN H H 135 8.247 8.247 8.581 -0.334 18726 2931 1 4 . 1 1 136 136 ALA N N 136 121.867 121.867 121.952 -0.085 18726 2932 1 4 . 1 1 136 136 ALA HA H 136 4.184 4.184 4.046 0.138 18726 2933 1 4 . 1 1 136 136 ALA CA C 136 55.229 55.229 55.063 0.166 18726 2934 1 4 . 1 1 136 136 ALA CB C 136 17.924 17.924 17.927 -0.003 18726 2935 1 4 . 1 1 136 136 ALA H H 136 7.617 7.617 7.587 0.030 18726 2936 1 4 . 1 1 137 137 ASP N N 137 121.450 121.450 118.970 2.480 18726 2937 1 4 . 1 1 137 137 ASP HA H 137 4.423 4.423 4.431 -0.008 18726 2938 1 4 . 1 1 137 137 ASP CA C 137 57.480 57.480 57.243 0.237 18726 2939 1 4 . 1 1 137 137 ASP CB C 137 41.735 41.735 40.236 1.499 18726 2940 1 4 . 1 1 137 137 ASP H H 137 8.097 8.097 7.422 0.675 18726 2941 1 4 . 1 1 138 138 VAL N N 138 121.018 121.018 119.653 1.365 18726 2942 1 4 . 1 1 138 138 VAL HA H 138 3.543 3.543 3.696 -0.153 18726 2943 1 4 . 1 1 138 138 VAL CA C 138 67.644 67.644 66.333 1.311 18726 2944 1 4 . 1 1 138 138 VAL CB C 138 31.625 31.625 31.261 0.364 18726 2945 1 4 . 1 1 138 138 VAL H H 138 8.630 8.630 8.257 0.373 18726 2946 1 4 . 1 1 139 139 SER N N 139 117.279 117.279 116.380 0.899 18726 2947 1 4 . 1 1 139 139 SER HA H 139 4.087 4.087 4.351 -0.264 18726 2948 1 4 . 1 1 139 139 SER CA C 139 62.191 62.191 62.098 0.093 18726 2949 1 4 . 1 1 139 139 SER CB C 139 62.996 62.996 63.192 -0.196 18726 2950 1 4 . 1 1 139 139 SER H H 139 8.146 8.146 8.051 0.095 18726 2951 1 4 . 1 1 140 140 LEU N N 140 123.402 123.402 122.583 0.819 18726 2952 1 4 . 1 1 140 140 LEU HA H 140 4.184 4.184 4.207 -0.023 18726 2953 1 4 . 1 1 140 140 LEU CA C 140 59.025 59.025 58.095 0.930 18726 2954 1 4 . 1 1 140 140 LEU CB C 140 42.459 42.459 42.073 0.386 18726 2955 1 4 . 1 1 140 140 LEU H H 140 8.283 8.283 7.633 0.650 18726 2956 1 4 . 1 1 141 141 VAL N N 141 112.944 112.944 115.949 -3.005 18726 2957 1 4 . 1 1 141 141 VAL HA H 141 3.956 3.956 3.694 0.262 18726 2958 1 4 . 1 1 141 141 VAL CA C 141 66.169 66.169 66.319 -0.150 18726 2959 1 4 . 1 1 141 141 VAL CB C 141 30.762 30.762 30.475 0.287 18726 2960 1 4 . 1 1 141 141 VAL H H 141 8.969 8.969 8.106 0.863 18726 2961 1 4 . 1 1 142 142 THR N N 142 114.612 114.612 115.051 -0.439 18726 2962 1 4 . 1 1 142 142 THR HA H 142 4.160 4.160 4.162 -0.002 18726 2963 1 4 . 1 1 142 142 THR CA C 142 65.668 65.668 66.202 -0.534 18726 2964 1 4 . 1 1 142 142 THR CB C 142 68.804 68.804 68.517 0.287 18726 2965 1 4 . 1 1 142 142 THR H H 142 8.134 8.134 8.223 -0.089 18726 2966 1 4 . 1 1 143 143 SER N N 143 120.124 120.124 118.728 1.396 18726 2967 1 4 . 1 1 143 143 SER HA H 143 4.292 4.292 4.181 0.111 18726 2968 1 4 . 1 1 143 143 SER CA C 143 62.079 62.079 60.985 1.094 18726 2969 1 4 . 1 1 143 143 SER CB C 143 62.928 62.928 62.911 0.017 18726 2970 1 4 . 1 1 143 143 SER H H 143 8.014 8.014 8.182 -0.168 18726 2971 1 4 . 1 1 144 144 MET N N 144 119.335 119.335 118.650 0.685 18726 2972 1 4 . 1 1 144 144 MET HA H 144 4.226 4.226 4.372 -0.146 18726 2973 1 4 . 1 1 144 144 MET CA C 144 59.189 59.189 58.486 0.703 18726 2974 1 4 . 1 1 144 144 MET CB C 144 33.826 33.826 32.783 1.043 18726 2975 1 4 . 1 1 144 144 MET H H 144 8.172 8.172 7.997 0.175 18726 2976 1 4 . 1 1 145 145 THR N N 145 107.737 107.737 114.244 -6.507 18726 2977 1 4 . 1 1 145 145 THR HA H 145 4.052 4.052 4.072 -0.020 18726 2978 1 4 . 1 1 145 145 THR CA C 145 64.659 64.659 65.451 -0.793 18726 2979 1 4 . 1 1 145 145 THR CB C 145 69.138 69.138 68.021 1.117 18726 2980 1 4 . 1 1 145 145 THR H H 145 7.985 7.985 7.994 -0.009 18726 2981 1 4 . 1 1 146 146 SER N N 146 113.986 113.986 118.594 -4.608 18726 2982 1 4 . 1 1 146 146 SER HA H 146 4.393 4.393 4.234 0.159 18726 2983 1 4 . 1 1 146 146 SER CA C 146 60.975 60.975 61.483 -0.508 18726 2984 1 4 . 1 1 146 146 SER CB C 146 63.847 63.847 63.207 0.640 18726 2985 1 4 . 1 1 146 146 SER H H 146 7.802 7.802 8.418 -0.616 18726 2986 1 4 . 1 1 147 147 THR N N 147 109.308 109.308 112.777 -3.469 18726 2987 1 4 . 1 1 147 147 THR HA H 147 4.405 4.405 4.494 -0.089 18726 2988 1 4 . 1 1 147 147 THR CA C 147 61.259 61.259 60.783 0.476 18726 2989 1 4 . 1 1 147 147 THR CB C 147 69.556 69.556 69.087 0.469 18726 2990 1 4 . 1 1 147 147 THR H H 147 7.206 7.206 7.573 -0.367 18726 2991 1 4 . 1 1 148 148 PHE N N 148 122.746 122.746 123.669 -0.923 18726 2992 1 4 . 1 1 148 148 PHE HA H 148 4.441 4.441 4.764 -0.323 18726 2993 1 4 . 1 1 148 148 PHE CA C 148 58.913 58.913 57.248 1.665 18726 2994 1 4 . 1 1 148 148 PHE CB C 148 39.952 39.952 40.946 -0.994 18726 2995 1 4 . 1 1 148 148 PHE H H 148 7.299 7.299 7.868 -0.569 18726 2996 1 4 . 1 1 149 149 VAL N N 149 124.892 124.892 127.994 -3.102 18726 2997 1 4 . 1 1 149 149 VAL HA H 149 3.938 3.938 3.978 -0.040 18726 2998 1 4 . 1 1 149 149 VAL CA C 149 61.233 61.233 60.403 0.830 18726 2999 1 4 . 1 1 149 149 VAL CB C 149 34.410 34.410 33.956 0.454 18726 3000 1 4 . 1 1 149 149 VAL H H 149 7.759 7.759 8.224 -0.465 18726 3001 1 4 . 1 1 150 150 ILE N N 150 124.892 124.892 128.211 -3.319 18726 3002 1 4 . 1 1 150 150 ILE HA H 150 4.015 4.015 3.929 0.085 18726 3003 1 4 . 1 1 150 150 ILE CA C 150 60.655 60.655 61.043 -0.388 18726 3004 1 4 . 1 1 150 150 ILE CB C 150 38.755 38.755 37.418 1.337 18726 3005 1 4 . 1 1 150 150 ILE H H 150 8.120 8.120 8.308 -0.188 18726 3006 1 4 . 1 1 151 151 SER N N 151 121.942 121.942 124.865 -2.923 18726 3007 1 4 . 1 1 151 151 SER HA H 151 4.483 4.483 4.379 0.104 18726 3008 1 4 . 1 1 151 151 SER CA C 151 58.136 58.136 58.609 -0.473 18726 3009 1 4 . 1 1 151 151 SER CB C 151 64.264 64.264 62.457 1.807 18726 3010 1 4 . 1 1 151 151 SER H H 151 8.746 8.746 8.677 0.069 18726 3011 1 4 . 1 1 152 152 SER HA H 152 4.453 4.453 4.676 -0.223 18726 3012 1 4 . 1 1 152 152 SER CA C 152 58.481 58.481 57.502 0.979 18726 3013 1 4 . 1 1 152 152 SER CB C 152 64.188 64.188 63.856 0.332 18726 3014 1 4 . 1 1 153 153 GLN N N 153 122.081 122.081 119.815 2.266 18726 3015 1 4 . 1 1 153 153 GLN HA H 153 4.325 4.325 4.040 0.285 18726 3016 1 4 . 1 1 153 153 GLN CA C 153 56.104 56.104 57.016 -0.912 18726 3017 1 4 . 1 1 153 153 GLN CB C 153 29.322 29.322 28.596 0.726 18726 3018 1 4 . 1 1 153 153 GLN H H 153 8.404 8.404 8.317 0.087 18726 3019 1 4 . 1 1 154 154 THR HA H 154 4.345 4.345 4.119 0.226 18726 3020 1 4 . 1 1 154 154 THR CA C 154 62.036 62.036 63.943 -1.907 18726 3021 1 4 . 1 1 154 154 THR CB C 154 69.806 69.806 68.883 0.923 18726 3022 1 4 . 1 1 155 155 SER N N 155 118.158 118.158 122.093 -3.935 18726 3023 1 4 . 1 1 155 155 SER HA H 155 4.465 4.465 4.600 -0.135 18726 3024 1 4 . 1 1 155 155 SER CA C 155 58.447 58.447 57.768 0.679 18726 3025 1 4 . 1 1 155 155 SER CB C 155 64.069 64.069 63.151 0.918 18726 3026 1 4 . 1 1 155 155 SER H H 155 8.275 8.275 8.725 -0.450 18726 3027 1 4 . 1 1 156 156 VAL N N 156 121.614 121.614 120.689 0.925 18726 3028 1 4 . 1 1 156 156 VAL HA H 156 4.094 4.094 4.141 -0.047 18726 3029 1 4 . 1 1 156 156 VAL CA C 156 62.553 62.553 63.003 -0.450 18726 3030 1 4 . 1 1 156 156 VAL CB C 156 32.823 32.823 31.845 0.978 18726 3031 1 4 . 1 1 156 156 VAL H H 156 8.103 8.103 7.837 0.266 18726 3032 1 4 . 1 1 157 157 GLN N N 157 123.938 123.938 120.401 3.537 18726 3033 1 4 . 1 1 157 157 GLN HA H 157 4.310 4.310 4.163 0.147 18726 3034 1 4 . 1 1 157 157 GLN CA C 157 55.867 55.867 56.923 -1.056 18726 3035 1 4 . 1 1 157 157 GLN CB C 157 29.370 29.370 29.154 0.216 18726 3036 1 4 . 1 1 157 157 GLN H H 157 8.371 8.371 7.880 0.491 18726 3037 1 4 . 1 1 158 158 MET N N 158 122.300 122.300 120.859 1.441 18726 3038 1 4 . 1 1 158 158 MET HA H 158 4.470 4.470 4.741 -0.271 18726 3039 1 4 . 1 1 158 158 MET CA C 158 55.720 55.720 55.411 0.309 18726 3040 1 4 . 1 1 158 158 MET CB C 158 32.959 32.959 33.707 -0.748 18726 3041 1 4 . 1 1 158 158 MET H H 158 8.425 8.425 8.182 0.242 18726 3042 1 4 . 1 1 159 159 GLY N N 159 110.605 110.605 108.032 2.573 18726 3043 1 4 . 1 1 159 159 GLY CA C 159 45.689 45.689 44.708 0.981 18726 3044 1 4 . 1 1 159 159 GLY H H 159 8.396 8.396 8.053 0.343 18726 3045 1 5 . 1 1 1 1 SER HA H 1 4.417 4.417 4.403 0.014 18726 3046 1 5 . 1 1 1 1 SER CA C 1 58.904 58.904 56.749 2.155 18726 3047 1 5 . 1 1 1 1 SER CB C 1 64.069 64.069 64.807 -0.738 18726 3048 1 5 . 1 1 2 2 GLY N N 2 110.955 110.955 109.578 1.377 18726 3049 1 5 . 1 1 2 2 GLY CA C 2 45.689 45.689 45.184 0.505 18726 3050 1 5 . 1 1 2 2 GLY H H 2 8.620 8.620 8.279 0.341 18726 3051 1 5 . 1 1 3 3 SER N N 3 116.638 116.638 121.424 -4.786 18726 3052 1 5 . 1 1 3 3 SER HA H 3 4.495 4.495 4.227 0.268 18726 3053 1 5 . 1 1 3 3 SER CA C 3 58.386 58.386 58.125 0.261 18726 3054 1 5 . 1 1 3 3 SER CB C 3 64.877 64.877 63.730 1.147 18726 3055 1 5 . 1 1 3 3 SER H H 3 8.459 8.459 7.889 0.570 18726 3056 1 5 . 1 1 4 4 LEU N N 4 123.760 123.760 129.227 -5.467 18726 3057 1 5 . 1 1 4 4 LEU HA H 4 4.094 4.094 4.300 -0.206 18726 3058 1 5 . 1 1 4 4 LEU CA C 4 58.973 58.973 57.558 1.415 18726 3059 1 5 . 1 1 4 4 LEU CB C 4 41.594 41.594 41.982 -0.388 18726 3060 1 5 . 1 1 4 4 LEU H H 4 8.700 8.700 8.860 -0.160 18726 3061 1 5 . 1 1 5 5 GLY N N 5 126.963 126.963 105.405 21.558 18726 3062 1 5 . 1 1 5 5 GLY CA C 5 46.887 46.887 47.251 -0.364 18726 3063 1 5 . 1 1 5 5 GLY H H 5 8.814 8.814 8.322 0.492 18726 3064 1 5 . 1 1 6 6 ASP N N 6 125.167 125.167 123.283 1.884 18726 3065 1 5 . 1 1 6 6 ASP HA H 6 4.369 4.369 4.632 -0.263 18726 3066 1 5 . 1 1 6 6 ASP CA C 6 57.972 57.972 57.212 0.760 18726 3067 1 5 . 1 1 6 6 ASP CB C 6 40.957 40.957 41.151 -0.194 18726 3068 1 5 . 1 1 6 6 ASP H H 6 8.119 8.119 8.121 -0.002 18726 3069 1 5 . 1 1 7 7 GLN N N 7 119.521 119.521 119.732 -0.211 18726 3070 1 5 . 1 1 7 7 GLN HA H 7 4.160 4.160 3.954 0.206 18726 3071 1 5 . 1 1 7 7 GLN CA C 7 59.404 59.404 59.047 0.357 18726 3072 1 5 . 1 1 7 7 GLN CB C 7 29.199 29.199 29.043 0.156 18726 3073 1 5 . 1 1 7 7 GLN H H 7 8.398 8.398 8.243 0.155 18726 3074 1 5 . 1 1 8 8 LEU N N 8 121.234 121.234 119.476 1.758 18726 3075 1 5 . 1 1 8 8 LEU HA H 8 3.801 3.801 3.910 -0.109 18726 3076 1 5 . 1 1 8 8 LEU CA C 8 57.722 57.722 58.402 -0.680 18726 3077 1 5 . 1 1 8 8 LEU CB C 8 42.403 42.403 41.262 1.141 18726 3078 1 5 . 1 1 8 8 LEU H H 8 9.087 9.087 8.369 0.718 18726 3079 1 5 . 1 1 9 9 THR N N 9 116.094 116.094 112.430 3.664 18726 3080 1 5 . 1 1 9 9 THR HA H 9 3.513 3.513 3.959 -0.446 18726 3081 1 5 . 1 1 9 9 THR CA C 9 68.886 68.886 66.276 2.610 18726 3082 1 5 . 1 1 9 9 THR CB C 9 67.968 67.968 68.460 -0.492 18726 3083 1 5 . 1 1 9 9 THR H H 9 8.188 8.188 8.057 0.131 18726 3084 1 5 . 1 1 10 10 SER N N 10 115.044 115.044 118.706 -3.662 18726 3085 1 5 . 1 1 10 10 SER HA H 10 4.154 4.154 4.085 0.069 18726 3086 1 5 . 1 1 10 10 SER CA C 10 61.898 61.898 62.865 -0.967 18726 3087 1 5 . 1 1 10 10 SER CB C 10 62.900 62.900 63.076 -0.176 18726 3088 1 5 . 1 1 10 10 SER H H 10 7.801 7.801 8.323 -0.522 18726 3089 1 5 . 1 1 11 11 THR N N 11 119.022 119.022 118.865 0.157 18726 3090 1 5 . 1 1 11 11 THR HA H 11 3.920 3.920 3.949 -0.029 18726 3091 1 5 . 1 1 11 11 THR CA C 11 67.747 67.747 66.802 0.945 18726 3092 1 5 . 1 1 11 11 THR CB C 11 68.804 68.804 68.611 0.193 18726 3093 1 5 . 1 1 11 11 THR H H 11 8.147 8.147 8.176 -0.029 18726 3094 1 5 . 1 1 12 12 LEU N N 12 120.609 120.609 122.637 -2.028 18726 3095 1 5 . 1 1 12 12 LEU HA H 12 3.890 3.890 3.934 -0.044 18726 3096 1 5 . 1 1 12 12 LEU CA C 12 58.265 58.265 58.195 0.070 18726 3097 1 5 . 1 1 12 12 LEU CB C 12 42.598 42.598 41.554 1.044 18726 3098 1 5 . 1 1 12 12 LEU H H 12 8.368 8.368 8.490 -0.122 18726 3099 1 5 . 1 1 13 13 ALA N N 13 119.231 119.231 120.445 -1.214 18726 3100 1 5 . 1 1 13 13 ALA HA H 13 3.816 3.816 3.998 -0.182 18726 3101 1 5 . 1 1 13 13 ALA CA C 13 55.729 55.729 55.004 0.725 18726 3102 1 5 . 1 1 13 13 ALA CB C 13 17.422 17.422 18.079 -0.657 18726 3103 1 5 . 1 1 13 13 ALA H H 13 8.755 8.755 8.655 0.100 18726 3104 1 5 . 1 1 14 14 SER N N 14 116.251 116.251 115.819 0.432 18726 3105 1 5 . 1 1 14 14 SER HA H 14 4.052 4.052 4.081 -0.029 18726 3106 1 5 . 1 1 14 14 SER CA C 14 62.079 62.079 62.352 -0.273 18726 3107 1 5 . 1 1 14 14 SER CB C 14 63.111 63.111 63.004 0.107 18726 3108 1 5 . 1 1 14 14 SER H H 14 8.318 8.318 7.711 0.607 18726 3109 1 5 . 1 1 15 15 ALA N N 15 121.629 121.629 123.364 -1.735 18726 3110 1 5 . 1 1 15 15 ALA HA H 15 4.166 4.166 4.090 0.076 18726 3111 1 5 . 1 1 15 15 ALA CA C 15 54.918 54.918 54.671 0.247 18726 3112 1 5 . 1 1 15 15 ALA CB C 15 18.397 18.397 18.597 -0.200 18726 3113 1 5 . 1 1 15 15 ALA H H 15 7.943 7.943 8.208 -0.265 18726 3114 1 5 . 1 1 16 16 LEU N N 16 112.541 112.541 118.685 -6.144 18726 3115 1 5 . 1 1 16 16 LEU HA H 16 3.885 3.885 4.093 -0.208 18726 3116 1 5 . 1 1 16 16 LEU CA C 16 57.731 57.731 57.150 0.581 18726 3117 1 5 . 1 1 16 16 LEU CB C 16 42.208 42.208 41.777 0.431 18726 3118 1 5 . 1 1 16 16 LEU H H 16 8.083 8.083 8.221 -0.138 18726 3119 1 5 . 1 1 17 17 THR N N 17 116.527 116.527 112.945 3.582 18726 3120 1 5 . 1 1 17 17 THR HA H 17 3.388 3.388 4.138 -0.750 18726 3121 1 5 . 1 1 17 17 THR CA C 17 67.972 67.972 65.321 2.651 18726 3122 1 5 . 1 1 17 17 THR CB C 17 68.860 68.860 68.977 -0.117 18726 3123 1 5 . 1 1 17 17 THR H H 17 8.044 8.044 7.891 0.153 18726 3124 1 5 . 1 1 18 18 LYS N N 18 115.841 115.841 118.042 -2.201 18726 3125 1 5 . 1 1 18 18 LYS HA H 18 4.142 4.142 4.549 -0.407 18726 3126 1 5 . 1 1 18 18 LYS CA C 18 56.859 56.859 55.176 1.683 18726 3127 1 5 . 1 1 18 18 LYS CB C 18 34.271 34.271 32.816 1.455 18726 3128 1 5 . 1 1 18 18 LYS H H 18 6.810 6.810 7.430 -0.620 18726 3129 1 5 . 1 1 19 19 THR N N 19 108.482 108.482 113.940 -5.458 18726 3130 1 5 . 1 1 19 19 THR HA H 19 4.088 4.088 4.980 -0.892 18726 3131 1 5 . 1 1 19 19 THR CA C 19 61.656 61.656 59.979 1.677 18726 3132 1 5 . 1 1 19 19 THR CB C 19 70.168 70.168 71.970 -1.802 18726 3133 1 5 . 1 1 19 19 THR H H 19 7.419 7.419 7.408 0.011 18726 3134 1 5 . 1 1 20 20 ASN N N 20 126.031 126.031 124.975 1.056 18726 3135 1 5 . 1 1 20 20 ASN HA H 20 4.304 4.304 4.376 -0.072 18726 3136 1 5 . 1 1 20 20 ASN CA C 20 57.247 57.247 56.401 0.846 18726 3137 1 5 . 1 1 20 20 ASN CB C 20 39.033 39.033 37.626 1.407 18726 3138 1 5 . 1 1 20 20 ASN H H 20 11.715 11.715 9.055 2.660 18726 3139 1 5 . 1 1 21 21 THR N N 21 119.223 119.223 115.047 4.176 18726 3140 1 5 . 1 1 21 21 THR HA H 21 3.723 3.723 4.093 -0.370 18726 3141 1 5 . 1 1 21 21 THR CA C 21 68.803 68.803 65.558 3.245 18726 3142 1 5 . 1 1 21 21 THR CB C 21 70.168 70.168 68.604 1.564 18726 3143 1 5 . 1 1 21 21 THR H H 21 10.495 10.495 8.909 1.586 18726 3144 1 5 . 1 1 22 22 LEU N N 22 119.484 119.484 119.050 0.434 18726 3145 1 5 . 1 1 22 22 LEU HA H 22 3.920 3.920 4.536 -0.616 18726 3146 1 5 . 1 1 22 22 LEU CA C 22 57.360 57.360 55.797 1.563 18726 3147 1 5 . 1 1 22 22 LEU CB C 22 40.983 40.983 42.863 -1.880 18726 3148 1 5 . 1 1 22 22 LEU H H 22 7.908 7.908 8.155 -0.247 18726 3149 1 5 . 1 1 23 23 LYS N N 23 121.033 121.033 120.533 0.500 18726 3150 1 5 . 1 1 23 23 LYS HA H 23 3.843 3.843 3.947 -0.104 18726 3151 1 5 . 1 1 23 23 LYS CA C 23 61.078 61.078 60.157 0.921 18726 3152 1 5 . 1 1 23 23 LYS CB C 23 32.210 32.210 32.462 -0.252 18726 3153 1 5 . 1 1 23 23 LYS H H 23 7.968 7.968 8.611 -0.643 18726 3154 1 5 . 1 1 24 24 ALA N N 24 121.376 121.376 121.832 -0.456 18726 3155 1 5 . 1 1 24 24 ALA HA H 24 4.118 4.118 4.133 -0.015 18726 3156 1 5 . 1 1 24 24 ALA CA C 24 54.892 54.892 55.489 -0.597 18726 3157 1 5 . 1 1 24 24 ALA CB C 24 18.564 18.564 18.283 0.281 18726 3158 1 5 . 1 1 24 24 ALA H H 24 8.239 8.239 8.273 -0.034 18726 3159 1 5 . 1 1 25 25 VAL N N 25 118.009 118.009 114.310 3.699 18726 3160 1 5 . 1 1 25 25 VAL HA H 25 3.244 3.244 3.585 -0.341 18726 3161 1 5 . 1 1 25 25 VAL CA C 25 67.420 67.420 65.533 1.887 18726 3162 1 5 . 1 1 25 25 VAL CB C 25 31.904 31.904 31.662 0.242 18726 3163 1 5 . 1 1 25 25 VAL H H 25 7.972 7.972 7.553 0.419 18726 3164 1 5 . 1 1 26 26 SER N N 26 113.107 113.107 115.956 -2.849 18726 3165 1 5 . 1 1 26 26 SER HA H 26 3.645 3.645 3.880 -0.235 18726 3166 1 5 . 1 1 26 26 SER CA C 26 62.157 62.157 61.244 0.913 18726 3167 1 5 . 1 1 26 26 SER CB C 26 63.206 63.206 63.340 -0.133 18726 3168 1 5 . 1 1 26 26 SER H H 26 8.092 8.092 8.046 0.046 18726 3169 1 5 . 1 1 27 27 ALA N N 27 122.069 122.069 122.149 -0.080 18726 3170 1 5 . 1 1 27 27 ALA HA H 27 4.178 4.178 4.199 -0.021 18726 3171 1 5 . 1 1 27 27 ALA CA C 27 54.504 54.504 54.334 0.170 18726 3172 1 5 . 1 1 27 27 ALA CB C 27 18.676 18.676 18.343 0.333 18726 3173 1 5 . 1 1 27 27 ALA H H 27 8.224 8.224 7.634 0.590 18726 3174 1 5 . 1 1 28 28 SER N N 28 111.990 111.990 113.959 -1.969 18726 3175 1 5 . 1 1 28 28 SER HA H 28 4.298 4.298 4.262 0.036 18726 3176 1 5 . 1 1 28 28 SER CA C 28 60.051 60.051 59.118 0.933 18726 3177 1 5 . 1 1 28 28 SER CB C 28 64.376 64.376 63.341 1.035 18726 3178 1 5 . 1 1 28 28 SER H H 28 7.441 7.441 7.869 -0.428 18726 3179 1 5 . 1 1 29 29 LYS N N 29 116.653 116.653 119.431 -2.778 18726 3180 1 5 . 1 1 29 29 LYS HA H 29 4.010 4.010 4.123 -0.113 18726 3181 1 5 . 1 1 29 29 LYS CA C 29 56.859 56.859 56.710 0.149 18726 3182 1 5 . 1 1 29 29 LYS CB C 29 30.957 30.957 31.073 -0.116 18726 3183 1 5 . 1 1 29 29 LYS H H 29 7.725 7.725 7.445 0.280 18726 3184 1 5 . 1 1 30 30 PRO HA H 30 4.501 4.501 4.406 0.095 18726 3185 1 5 . 1 1 30 30 PRO CA C 30 62.709 62.709 63.874 -1.165 18726 3186 1 5 . 1 1 30 30 PRO CB C 30 30.906 30.906 32.215 -1.309 18726 3187 1 5 . 1 1 31 31 SER N N 31 115.595 115.595 111.009 4.586 18726 3188 1 5 . 1 1 31 31 SER HA H 31 4.286 4.286 4.502 -0.216 18726 3189 1 5 . 1 1 31 31 SER CA C 31 57.739 57.739 57.440 0.299 18726 3190 1 5 . 1 1 31 31 SER CB C 31 64.515 64.515 64.491 0.024 18726 3191 1 5 . 1 1 31 31 SER H H 31 8.349 8.349 7.773 0.576 18726 3192 1 5 . 1 1 32 32 ALA N N 32 124.266 124.266 126.223 -1.957 18726 3193 1 5 . 1 1 32 32 ALA HA H 32 4.351 4.351 4.075 0.276 18726 3194 1 5 . 1 1 32 32 ALA CA C 32 55.772 55.772 54.376 1.396 18726 3195 1 5 . 1 1 32 32 ALA CB C 32 18.954 18.954 18.744 0.210 18726 3196 1 5 . 1 1 32 32 ALA H H 32 9.039 9.039 8.872 0.167 18726 3197 1 5 . 1 1 33 33 ASN N N 33 111.722 111.722 117.191 -5.469 18726 3198 1 5 . 1 1 33 33 ASN HA H 33 4.274 4.274 4.456 -0.182 18726 3199 1 5 . 1 1 33 33 ASN CA C 33 56.402 56.402 55.972 0.430 18726 3200 1 5 . 1 1 33 33 ASN CB C 33 37.780 37.780 37.852 -0.072 18726 3201 1 5 . 1 1 33 33 ASN H H 33 8.301 8.301 8.570 -0.269 18726 3202 1 5 . 1 1 34 34 VAL N N 34 123.804 123.804 116.289 7.515 18726 3203 1 5 . 1 1 34 34 VAL HA H 34 3.166 3.166 3.722 -0.556 18726 3204 1 5 . 1 1 34 34 VAL CA C 34 66.634 66.634 64.483 2.151 18726 3205 1 5 . 1 1 34 34 VAL CB C 34 31.347 31.347 31.177 0.170 18726 3206 1 5 . 1 1 34 34 VAL H H 34 7.376 7.376 7.224 0.152 18726 3207 1 5 . 1 1 35 35 ALA N N 35 122.314 122.314 123.206 -0.892 18726 3208 1 5 . 1 1 35 35 ALA HA H 35 3.591 3.591 3.842 -0.251 18726 3209 1 5 . 1 1 35 35 ALA CA C 35 56.255 56.255 55.416 0.839 18726 3210 1 5 . 1 1 35 35 ALA CB C 35 18.063 18.063 18.312 -0.249 18726 3211 1 5 . 1 1 35 35 ALA H H 35 8.558 8.558 8.424 0.134 18726 3212 1 5 . 1 1 36 36 VAL N N 36 115.595 115.595 117.810 -2.215 18726 3213 1 5 . 1 1 36 36 VAL HA H 36 3.316 3.316 3.675 -0.359 18726 3214 1 5 . 1 1 36 36 VAL CA C 36 67.756 67.756 66.582 1.174 18726 3215 1 5 . 1 1 36 36 VAL CB C 36 32.099 32.099 31.274 0.824 18726 3216 1 5 . 1 1 36 36 VAL H H 36 8.507 8.507 7.513 0.994 18726 3217 1 5 . 1 1 37 37 ALA N N 37 126.247 126.247 123.247 3.000 18726 3218 1 5 . 1 1 37 37 ALA HA H 37 4.040 4.040 4.215 -0.175 18726 3219 1 5 . 1 1 37 37 ALA CA C 37 56.048 56.048 54.885 1.163 18726 3220 1 5 . 1 1 37 37 ALA CB C 37 18.091 18.091 18.605 -0.514 18726 3221 1 5 . 1 1 37 37 ALA H H 37 7.801 7.801 7.285 0.516 18726 3222 1 5 . 1 1 38 38 ILE N N 38 118.344 118.344 119.320 -0.976 18726 3223 1 5 . 1 1 38 38 ILE HA H 38 3.561 3.561 3.802 -0.241 18726 3224 1 5 . 1 1 38 38 ILE CA C 38 66.263 66.263 65.666 0.597 18726 3225 1 5 . 1 1 38 38 ILE CB C 38 39.395 39.395 38.152 1.243 18726 3226 1 5 . 1 1 38 38 ILE H H 38 8.305 8.305 8.065 0.240 18726 3227 1 5 . 1 1 39 39 VAL N N 39 117.264 117.264 120.467 -3.203 18726 3228 1 5 . 1 1 39 39 VAL HA H 39 3.573 3.573 3.673 -0.100 18726 3229 1 5 . 1 1 39 39 VAL CA C 39 67.074 67.074 66.439 0.635 18726 3230 1 5 . 1 1 39 39 VAL CB C 39 32.127 32.127 31.969 0.158 18726 3231 1 5 . 1 1 39 39 VAL H H 39 8.331 8.331 8.264 0.067 18726 3232 1 5 . 1 1 40 40 THR N N 40 112.303 112.303 115.198 -2.895 18726 3233 1 5 . 1 1 40 40 THR HA H 40 3.831 3.831 3.947 -0.116 18726 3234 1 5 . 1 1 40 40 THR CA C 40 67.152 67.152 66.915 0.237 18726 3235 1 5 . 1 1 40 40 THR CB C 40 68.776 68.776 68.317 0.459 18726 3236 1 5 . 1 1 40 40 THR H H 40 9.029 9.029 8.377 0.652 18726 3237 1 5 . 1 1 41 41 SER N N 41 117.085 117.085 118.682 -1.597 18726 3238 1 5 . 1 1 41 41 SER HA H 41 4.274 4.274 4.119 0.155 18726 3239 1 5 . 1 1 41 41 SER CA C 41 62.182 62.182 62.924 -0.742 18726 3240 1 5 . 1 1 41 41 SER CB C 41 63.067 63.067 62.781 0.286 18726 3241 1 5 . 1 1 41 41 SER H H 41 7.599 7.599 7.813 -0.214 18726 3242 1 5 . 1 1 42 42 GLY N N 42 107.258 107.258 109.449 -2.191 18726 3243 1 5 . 1 1 42 42 GLY CA C 42 47.917 47.917 46.726 1.191 18726 3244 1 5 . 1 1 42 42 GLY H H 42 7.599 7.599 7.609 -0.010 18726 3245 1 5 . 1 1 43 43 LEU N N 43 122.262 122.262 122.876 -0.614 18726 3246 1 5 . 1 1 43 43 LEU HA H 43 3.914 3.914 3.888 0.026 18726 3247 1 5 . 1 1 43 43 LEU CA C 43 57.782 57.782 57.943 -0.161 18726 3248 1 5 . 1 1 43 43 LEU CB C 43 42.876 42.876 41.748 1.128 18726 3249 1 5 . 1 1 43 43 LEU H H 43 8.595 8.595 8.320 0.275 18726 3250 1 5 . 1 1 44 44 LYS N N 44 118.851 118.851 119.061 -0.210 18726 3251 1 5 . 1 1 44 44 LYS HA H 44 3.855 3.855 4.051 -0.196 18726 3252 1 5 . 1 1 44 44 LYS CA C 44 60.604 60.604 59.664 0.940 18726 3253 1 5 . 1 1 44 44 LYS CB C 44 32.322 32.322 32.198 0.124 18726 3254 1 5 . 1 1 44 44 LYS H H 44 8.589 8.589 8.373 0.216 18726 3255 1 5 . 1 1 45 45 LYS N N 45 118.322 118.322 120.090 -1.768 18726 3256 1 5 . 1 1 45 45 LYS HA H 45 4.160 4.160 4.055 0.105 18726 3257 1 5 . 1 1 45 45 LYS CA C 45 58.326 58.326 58.867 -0.541 18726 3258 1 5 . 1 1 45 45 LYS CB C 45 32.492 32.492 32.218 0.274 18726 3259 1 5 . 1 1 45 45 LYS H H 45 7.189 7.189 7.722 -0.533 18726 3260 1 5 . 1 1 46 46 ALA N N 46 121.301 121.301 122.304 -1.003 18726 3261 1 5 . 1 1 46 46 ALA HA H 46 3.831 3.831 4.087 -0.256 18726 3262 1 5 . 1 1 46 46 ALA CA C 46 55.539 55.539 55.092 0.447 18726 3263 1 5 . 1 1 46 46 ALA CB C 46 20.152 20.152 18.503 1.649 18726 3264 1 5 . 1 1 46 46 ALA H H 46 8.060 8.060 8.214 -0.154 18726 3265 1 5 . 1 1 47 47 LEU N N 47 116.206 116.206 117.333 -1.127 18726 3266 1 5 . 1 1 47 47 LEU HA H 47 3.902 3.902 4.000 -0.098 18726 3267 1 5 . 1 1 47 47 LEU CA C 47 57.929 57.929 57.511 0.418 18726 3268 1 5 . 1 1 47 47 LEU CB C 47 40.426 40.426 41.666 -1.240 18726 3269 1 5 . 1 1 47 47 LEU H H 47 9.045 9.045 8.324 0.721 18726 3270 1 5 . 1 1 48 48 GLY N N 48 106.001 106.001 106.313 -0.312 18726 3271 1 5 . 1 1 48 48 GLY CA C 48 46.859 46.859 46.863 -0.004 18726 3272 1 5 . 1 1 48 48 GLY H H 48 7.739 7.739 8.342 -0.603 18726 3273 1 5 . 1 1 49 49 ALA N N 49 125.570 125.570 122.416 3.154 18726 3274 1 5 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.397 -0.219 18726 3275 1 5 . 1 1 49 49 ALA CA C 49 54.573 54.573 53.497 1.076 18726 3276 1 5 . 1 1 49 49 ALA CB C 49 18.369 18.369 18.703 -0.334 18726 3277 1 5 . 1 1 49 49 ALA H H 49 7.763 7.763 7.859 -0.096 18726 3278 1 5 . 1 1 50 50 LEU N N 50 116.176 116.176 117.386 -1.210 18726 3279 1 5 . 1 1 50 50 LEU HA H 50 4.178 4.178 4.357 -0.179 18726 3280 1 5 . 1 1 50 50 LEU CA C 50 54.961 54.961 54.140 0.821 18726 3281 1 5 . 1 1 50 50 LEU CB C 50 44.213 44.213 42.416 1.796 18726 3282 1 5 . 1 1 50 50 LEU H H 50 7.519 7.519 7.341 0.178 18726 3283 1 5 . 1 1 51 51 ARG N N 51 115.327 115.327 115.361 -0.034 18726 3284 1 5 . 1 1 51 51 ARG HA H 51 3.920 3.920 3.970 -0.050 18726 3285 1 5 . 1 1 51 51 ARG CA C 51 56.894 56.894 56.943 -0.049 18726 3286 1 5 . 1 1 51 51 ARG CB C 51 27.559 27.559 26.883 0.676 18726 3287 1 5 . 1 1 51 51 ARG H H 51 7.782 7.782 7.369 0.413 18726 3288 1 5 . 1 1 52 52 ILE N N 52 118.612 118.612 118.405 0.207 18726 3289 1 5 . 1 1 52 52 ILE HA H 52 4.052 4.052 3.888 0.164 18726 3290 1 5 . 1 1 52 52 ILE CA C 52 59.465 59.465 62.962 -3.497 18726 3291 1 5 . 1 1 52 52 ILE CB C 52 36.778 36.778 38.184 -1.406 18726 3292 1 5 . 1 1 52 52 ILE H H 52 7.381 7.381 8.123 -0.742 18726 3293 1 5 . 1 1 53 53 ASN N N 53 124.728 124.728 113.318 11.410 18726 3294 1 5 . 1 1 53 53 ASN HA H 53 4.435 4.435 4.699 -0.264 18726 3295 1 5 . 1 1 53 53 ASN CA C 53 54.219 54.219 53.265 0.954 18726 3296 1 5 . 1 1 53 53 ASN CB C 53 39.897 39.897 39.792 0.105 18726 3297 1 5 . 1 1 53 53 ASN H H 53 8.503 8.503 7.687 0.816 18726 3298 1 5 . 1 1 54 54 ALA HA H 54 4.064 4.064 4.112 -0.048 18726 3299 1 5 . 1 1 54 54 ALA CA C 54 55.772 55.772 54.709 1.063 18726 3300 1 5 . 1 1 54 54 ALA CB C 54 18.926 18.926 19.082 -0.156 18726 3301 1 5 . 1 1 55 55 GLY N N 55 108.675 108.675 107.447 1.228 18726 3302 1 5 . 1 1 55 55 GLY CA C 55 47.165 47.165 47.137 0.028 18726 3303 1 5 . 1 1 55 55 GLY H H 55 8.479 8.479 8.753 -0.274 18726 3304 1 5 . 1 1 56 56 VAL N N 56 124.251 124.251 120.726 3.525 18726 3305 1 5 . 1 1 56 56 VAL HA H 56 3.687 3.687 3.906 -0.219 18726 3306 1 5 . 1 1 56 56 VAL CA C 56 66.160 66.160 63.805 2.355 18726 3307 1 5 . 1 1 56 56 VAL CB C 56 31.598 31.598 31.608 -0.010 18726 3308 1 5 . 1 1 56 56 VAL H H 56 8.035 8.035 7.505 0.530 18726 3309 1 5 . 1 1 57 57 SER N N 57 115.290 115.290 115.370 -0.080 18726 3310 1 5 . 1 1 57 57 SER HA H 57 3.992 3.992 4.143 -0.151 18726 3311 1 5 . 1 1 57 57 SER CA C 57 62.881 62.881 61.548 1.333 18726 3312 1 5 . 1 1 57 57 SER CB C 57 62.733 62.733 62.495 0.238 18726 3313 1 5 . 1 1 57 57 SER H H 57 8.551 8.551 8.526 0.025 18726 3314 1 5 . 1 1 58 58 SER N N 58 117.711 117.711 117.724 -0.013 18726 3315 1 5 . 1 1 58 58 SER HA H 58 4.238 4.238 4.225 0.013 18726 3316 1 5 . 1 1 58 58 SER CA C 58 61.656 61.656 61.444 0.212 18726 3317 1 5 . 1 1 58 58 SER CB C 58 62.800 62.800 62.851 -0.051 18726 3318 1 5 . 1 1 58 58 SER H H 58 8.176 8.176 7.754 0.422 18726 3319 1 5 . 1 1 59 59 GLN N N 59 122.746 122.746 121.471 1.275 18726 3320 1 5 . 1 1 59 59 GLN HA H 59 4.046 4.046 4.131 -0.085 18726 3321 1 5 . 1 1 59 59 GLN CA C 59 59.249 59.249 58.220 1.029 18726 3322 1 5 . 1 1 59 59 GLN CB C 59 28.980 28.980 28.407 0.573 18726 3323 1 5 . 1 1 59 59 GLN H H 59 7.737 7.737 7.591 0.146 18726 3324 1 5 . 1 1 60 60 LEU N N 60 121.748 121.748 121.920 -0.172 18726 3325 1 5 . 1 1 60 60 LEU HA H 60 3.980 3.980 4.131 -0.151 18726 3326 1 5 . 1 1 60 60 LEU CA C 60 60.483 60.483 58.210 2.273 18726 3327 1 5 . 1 1 60 60 LEU CB C 60 43.378 43.378 42.232 1.146 18726 3328 1 5 . 1 1 60 60 LEU H H 60 8.804 8.804 8.310 0.494 18726 3329 1 5 . 1 1 61 61 THR N N 61 114.366 114.366 115.389 -1.023 18726 3330 1 5 . 1 1 61 61 THR HA H 61 3.675 3.675 4.003 -0.328 18726 3331 1 5 . 1 1 61 61 THR CA C 61 67.713 67.713 67.000 0.713 18726 3332 1 5 . 1 1 61 61 THR CB C 61 67.968 67.968 68.630 -0.662 18726 3333 1 5 . 1 1 61 61 THR H H 61 8.654 8.654 7.724 0.930 18726 3334 1 5 . 1 1 62 62 SER N N 62 119.141 119.141 119.066 0.075 18726 3335 1 5 . 1 1 62 62 SER HA H 62 4.232 4.232 4.267 -0.035 18726 3336 1 5 . 1 1 62 62 SER CA C 62 62.217 62.217 62.137 0.080 18726 3337 1 5 . 1 1 62 62 SER CB C 62 62.900 62.900 62.973 -0.073 18726 3338 1 5 . 1 1 62 62 SER H H 62 8.161 8.161 7.635 0.526 18726 3339 1 5 . 1 1 63 63 ALA N N 63 124.393 124.393 124.568 -0.175 18726 3340 1 5 . 1 1 63 63 ALA HA H 63 4.178 4.178 3.967 0.211 18726 3341 1 5 . 1 1 63 63 ALA CA C 63 55.418 55.418 55.006 0.412 18726 3342 1 5 . 1 1 63 63 ALA CB C 63 19.066 19.066 18.302 0.764 18726 3343 1 5 . 1 1 63 63 ALA H H 63 7.921 7.921 7.949 -0.028 18726 3344 1 5 . 1 1 64 64 VAL N N 64 118.888 118.888 119.035 -0.147 18726 3345 1 5 . 1 1 64 64 VAL HA H 64 3.765 3.765 3.723 0.042 18726 3346 1 5 . 1 1 64 64 VAL CA C 64 66.419 66.419 65.864 0.555 18726 3347 1 5 . 1 1 64 64 VAL CB C 64 31.966 31.966 30.986 0.980 18726 3348 1 5 . 1 1 64 64 VAL H H 64 8.548 8.548 8.310 0.238 18726 3349 1 5 . 1 1 65 65 SER N N 65 115.469 115.469 114.620 0.849 18726 3350 1 5 . 1 1 65 65 SER HA H 65 3.920 3.920 4.102 -0.182 18726 3351 1 5 . 1 1 65 65 SER CA C 65 63.235 63.235 62.080 1.155 18726 3352 1 5 . 1 1 65 65 SER CB C 65 63.291 63.291 62.808 0.483 18726 3353 1 5 . 1 1 65 65 SER H H 65 8.360 8.360 8.201 0.159 18726 3354 1 5 . 1 1 66 66 GLN N N 66 118.918 118.918 122.887 -3.969 18726 3355 1 5 . 1 1 66 66 GLN HA H 66 3.938 3.938 4.098 -0.160 18726 3356 1 5 . 1 1 66 66 GLN CA C 66 58.844 58.844 58.592 0.252 18726 3357 1 5 . 1 1 66 66 GLN CB C 66 28.810 28.810 28.485 0.325 18726 3358 1 5 . 1 1 66 66 GLN H H 66 7.676 7.676 7.472 0.204 18726 3359 1 5 . 1 1 67 67 ALA N N 67 120.720 120.720 120.583 0.137 18726 3360 1 5 . 1 1 67 67 ALA HA H 67 4.154 4.154 4.109 0.045 18726 3361 1 5 . 1 1 67 67 ALA CA C 67 55.323 55.323 54.900 0.423 18726 3362 1 5 . 1 1 67 67 ALA CB C 67 19.483 19.483 18.802 0.681 18726 3363 1 5 . 1 1 67 67 ALA H H 67 7.390 7.390 7.925 -0.535 18726 3364 1 5 . 1 1 68 68 VAL N N 68 119.335 119.335 116.932 2.403 18726 3365 1 5 . 1 1 68 68 VAL HA H 68 3.447 3.447 3.711 -0.264 18726 3366 1 5 . 1 1 68 68 VAL CA C 68 66.591 66.591 65.253 1.338 18726 3367 1 5 . 1 1 68 68 VAL CB C 68 31.514 31.514 31.297 0.217 18726 3368 1 5 . 1 1 68 68 VAL H H 68 9.069 9.069 7.930 1.139 18726 3369 1 5 . 1 1 69 69 ALA N N 69 122.568 122.568 119.258 3.310 18726 3370 1 5 . 1 1 69 69 ALA HA H 69 3.962 3.962 4.304 -0.342 18726 3371 1 5 . 1 1 69 69 ALA CA C 69 54.512 54.512 53.507 1.005 18726 3372 1 5 . 1 1 69 69 ALA CB C 69 18.035 18.035 18.513 -0.478 18726 3373 1 5 . 1 1 69 69 ALA H H 69 8.370 8.370 7.759 0.611 18726 3374 1 5 . 1 1 70 70 ASN N N 70 113.242 113.242 116.570 -3.328 18726 3375 1 5 . 1 1 70 70 ASN HA H 70 4.651 4.651 4.753 -0.102 18726 3376 1 5 . 1 1 70 70 ASN CA C 70 52.994 52.994 54.127 -1.133 18726 3377 1 5 . 1 1 70 70 ASN CB C 70 39.897 39.897 39.853 0.044 18726 3378 1 5 . 1 1 70 70 ASN H H 70 6.987 6.987 7.589 -0.602 18726 3379 1 5 . 1 1 71 71 VAL N N 71 122.456 122.456 118.680 3.776 18726 3380 1 5 . 1 1 71 71 VAL HA H 71 3.591 3.591 3.803 -0.212 18726 3381 1 5 . 1 1 71 71 VAL CA C 71 63.037 63.037 62.990 0.047 18726 3382 1 5 . 1 1 71 71 VAL CB C 71 31.598 31.598 32.045 -0.447 18726 3383 1 5 . 1 1 71 71 VAL H H 71 7.284 7.284 7.424 -0.140 18726 3384 1 5 . 1 1 72 72 ARG N N 72 108.757 108.757 116.161 -7.404 18726 3385 1 5 . 1 1 72 72 ARG HA H 72 4.387 4.387 4.060 0.327 18726 3386 1 5 . 1 1 72 72 ARG CA C 72 54.487 54.487 56.152 -1.665 18726 3387 1 5 . 1 1 72 72 ARG CB C 72 29.840 29.840 27.650 2.190 18726 3388 1 5 . 1 1 72 72 ARG H H 72 8.700 8.700 7.680 1.020 18726 3389 1 5 . 1 1 73 73 PRO HA H 73 4.399 4.399 4.622 -0.223 18726 3390 1 5 . 1 1 73 73 PRO CA C 73 64.339 64.339 63.352 0.987 18726 3391 1 5 . 1 1 73 73 PRO CB C 73 32.043 32.043 32.075 -0.032 18726 3392 1 5 . 1 1 74 74 GLY N N 74 111.647 111.647 108.721 2.926 18726 3393 1 5 . 1 1 74 74 GLY CA C 74 45.188 45.188 45.086 0.102 18726 3394 1 5 . 1 1 74 74 GLY H H 74 9.447 9.447 8.901 0.546 18726 3395 1 5 . 1 1 75 75 SER N N 75 116.057 116.057 115.955 0.102 18726 3396 1 5 . 1 1 75 75 SER HA H 75 4.477 4.477 4.710 -0.233 18726 3397 1 5 . 1 1 75 75 SER CA C 75 60.509 60.509 56.489 4.020 18726 3398 1 5 . 1 1 75 75 SER CB C 75 64.710 64.710 65.535 -0.825 18726 3399 1 5 . 1 1 75 75 SER H H 75 7.600 7.600 8.024 -0.424 18726 3400 1 5 . 1 1 76 76 SER N N 76 118.456 118.456 119.085 -0.629 18726 3401 1 5 . 1 1 76 76 SER HA H 76 4.693 4.693 4.507 0.186 18726 3402 1 5 . 1 1 76 76 SER CA C 76 57.247 57.247 57.612 -0.365 18726 3403 1 5 . 1 1 76 76 SER CB C 76 63.011 63.011 63.646 -0.635 18726 3404 1 5 . 1 1 76 76 SER H H 76 8.726 8.726 8.880 -0.154 18726 3405 1 5 . 1 1 77 77 PRO HA H 77 4.262 4.262 4.427 -0.165 18726 3406 1 5 . 1 1 77 77 PRO CA C 77 66.565 66.565 64.590 1.975 18726 3407 1 5 . 1 1 77 77 PRO CB C 77 32.350 32.350 31.922 0.428 18726 3408 1 5 . 1 1 78 78 ALA N N 78 117.189 117.189 121.433 -4.244 18726 3409 1 5 . 1 1 78 78 ALA HA H 78 4.513 4.513 4.284 0.229 18726 3410 1 5 . 1 1 78 78 ALA CA C 78 54.590 54.590 54.553 0.037 18726 3411 1 5 . 1 1 78 78 ALA CB C 78 18.982 18.982 18.599 0.383 18726 3412 1 5 . 1 1 78 78 ALA H H 78 8.085 8.085 8.338 -0.253 18726 3413 1 5 . 1 1 79 79 VAL N N 79 119.946 119.946 116.215 3.731 18726 3414 1 5 . 1 1 79 79 VAL HA H 79 3.609 3.609 3.768 -0.159 18726 3415 1 5 . 1 1 79 79 VAL CA C 79 66.307 66.307 65.429 0.878 18726 3416 1 5 . 1 1 79 79 VAL CB C 79 31.820 31.820 30.371 1.449 18726 3417 1 5 . 1 1 79 79 VAL H H 79 7.741 7.741 7.517 0.224 18726 3418 1 5 . 1 1 80 80 TYR N N 80 117.577 117.577 120.197 -2.620 18726 3419 1 5 . 1 1 80 80 TYR HA H 80 3.867 3.867 4.045 -0.178 18726 3420 1 5 . 1 1 80 80 TYR CA C 80 63.675 63.675 62.438 1.237 18726 3421 1 5 . 1 1 80 80 TYR CB C 80 39.924 39.924 37.865 2.059 18726 3422 1 5 . 1 1 80 80 TYR H H 80 7.207 7.207 7.503 -0.296 18726 3423 1 5 . 1 1 81 81 ALA N N 81 118.761 118.761 119.241 -0.480 18726 3424 1 5 . 1 1 81 81 ALA HA H 81 3.711 3.711 3.955 -0.244 18726 3425 1 5 . 1 1 81 81 ALA CA C 81 55.781 55.781 54.838 0.943 18726 3426 1 5 . 1 1 81 81 ALA CB C 81 20.792 20.792 18.444 2.348 18726 3427 1 5 . 1 1 81 81 ALA H H 81 8.962 8.962 8.037 0.925 18726 3428 1 5 . 1 1 82 82 LYS N N 82 117.778 117.778 119.843 -2.065 18726 3429 1 5 . 1 1 82 82 LYS HA H 82 3.807 3.807 4.103 -0.296 18726 3430 1 5 . 1 1 82 82 LYS CA C 82 60.155 60.155 58.207 1.948 18726 3431 1 5 . 1 1 82 82 LYS CB C 82 32.322 32.322 32.097 0.224 18726 3432 1 5 . 1 1 82 82 LYS H H 82 7.727 7.727 7.641 0.086 18726 3433 1 5 . 1 1 83 83 ALA N N 83 120.810 120.810 119.992 0.818 18726 3434 1 5 . 1 1 83 83 ALA HA H 83 4.022 4.022 4.282 -0.260 18726 3435 1 5 . 1 1 83 83 ALA CA C 83 54.366 54.366 54.493 -0.127 18726 3436 1 5 . 1 1 83 83 ALA CB C 83 18.453 18.453 18.252 0.201 18726 3437 1 5 . 1 1 83 83 ALA H H 83 7.182 7.182 8.115 -0.933 18726 3438 1 5 . 1 1 84 84 ILE N N 84 109.964 109.964 115.922 -5.958 18726 3439 1 5 . 1 1 84 84 ILE HA H 84 3.861 3.861 4.011 -0.150 18726 3440 1 5 . 1 1 84 84 ILE CA C 84 63.373 63.373 62.946 0.427 18726 3441 1 5 . 1 1 84 84 ILE CB C 84 40.342 40.342 38.815 1.527 18726 3442 1 5 . 1 1 84 84 ILE H H 84 7.109 7.109 7.150 -0.041 18726 3443 1 5 . 1 1 85 85 ALA N N 85 120.162 120.162 123.000 -2.838 18726 3444 1 5 . 1 1 85 85 ALA HA H 85 3.777 3.777 4.363 -0.586 18726 3445 1 5 . 1 1 85 85 ALA CA C 85 55.789 55.789 54.628 1.161 18726 3446 1 5 . 1 1 85 85 ALA CB C 85 20.931 20.931 18.223 2.708 18726 3447 1 5 . 1 1 85 85 ALA H H 85 8.770 8.770 7.768 1.002 18726 3448 1 5 . 1 1 86 86 ALA N N 86 116.824 116.824 123.111 -6.287 18726 3449 1 5 . 1 1 86 86 ALA HA H 86 4.310 4.310 4.128 0.182 18726 3450 1 5 . 1 1 86 86 ALA CA C 86 56.756 56.756 56.697 0.059 18726 3451 1 5 . 1 1 86 86 ALA CB C 86 15.417 15.417 16.410 -0.993 18726 3452 1 5 . 1 1 86 86 ALA H H 86 8.513 8.513 8.506 0.007 18726 3453 1 5 . 1 1 87 87 PRO HA H 87 4.405 4.405 4.359 0.046 18726 3454 1 5 . 1 1 87 87 PRO CA C 87 65.185 65.185 65.336 -0.151 18726 3455 1 5 . 1 1 87 87 PRO CB C 87 30.734 30.734 31.156 -0.422 18726 3456 1 5 . 1 1 88 88 SER N N 88 108.653 108.653 115.604 -6.951 18726 3457 1 5 . 1 1 88 88 SER HA H 88 3.861 3.861 4.400 -0.539 18726 3458 1 5 . 1 1 88 88 SER CA C 88 62.735 62.735 62.225 0.510 18726 3459 1 5 . 1 1 88 88 SER CB C 88 63.039 63.039 63.307 -0.268 18726 3460 1 5 . 1 1 88 88 SER H H 88 6.474 6.474 7.790 -1.316 18726 3461 1 5 . 1 1 89 89 VAL N N 89 120.951 120.951 120.365 0.586 18726 3462 1 5 . 1 1 89 89 VAL HA H 89 3.226 3.226 3.728 -0.502 18726 3463 1 5 . 1 1 89 89 VAL CA C 89 67.644 67.644 66.005 1.639 18726 3464 1 5 . 1 1 89 89 VAL CB C 89 30.929 30.929 31.117 -0.188 18726 3465 1 5 . 1 1 89 89 VAL H H 89 8.220 8.220 8.456 -0.236 18726 3466 1 5 . 1 1 90 90 GLN N N 90 117.435 117.435 119.442 -2.007 18726 3467 1 5 . 1 1 90 90 GLN HA H 90 3.873 3.873 4.024 -0.151 18726 3468 1 5 . 1 1 90 90 GLN CA C 90 59.818 59.818 59.052 0.766 18726 3469 1 5 . 1 1 90 90 GLN CB C 90 28.256 28.256 28.378 -0.122 18726 3470 1 5 . 1 1 90 90 GLN H H 90 7.922 7.922 8.098 -0.176 18726 3471 1 5 . 1 1 91 91 ILE N N 91 117.875 117.875 120.543 -2.668 18726 3472 1 5 . 1 1 91 91 ILE HA H 91 4.052 4.052 3.847 0.205 18726 3473 1 5 . 1 1 91 91 ILE CA C 91 63.201 63.201 64.229 -1.028 18726 3474 1 5 . 1 1 91 91 ILE CB C 91 37.613 37.613 38.284 -0.671 18726 3475 1 5 . 1 1 91 91 ILE H H 91 7.532 7.532 7.391 0.141 18726 3476 1 5 . 1 1 92 92 LEU N N 92 123.357 123.357 120.275 3.082 18726 3477 1 5 . 1 1 92 92 LEU HA H 92 3.807 3.807 3.991 -0.184 18726 3478 1 5 . 1 1 92 92 LEU CA C 92 59.171 59.171 58.218 0.953 18726 3479 1 5 . 1 1 92 92 LEU CB C 92 41.205 41.205 41.872 -0.667 18726 3480 1 5 . 1 1 92 92 LEU H H 92 8.481 8.481 8.233 0.248 18726 3481 1 5 . 1 1 93 93 VAL N N 93 118.180 118.180 118.449 -0.269 18726 3482 1 5 . 1 1 93 93 VAL HA H 93 3.873 3.873 3.808 0.065 18726 3483 1 5 . 1 1 93 93 VAL CA C 93 66.496 66.496 64.544 1.952 18726 3484 1 5 . 1 1 93 93 VAL CB C 93 31.765 31.765 31.651 0.113 18726 3485 1 5 . 1 1 93 93 VAL H H 93 8.777 8.777 8.383 0.394 18726 3486 1 5 . 1 1 94 94 SER N N 94 118.471 118.471 115.168 3.303 18726 3487 1 5 . 1 1 94 94 SER HA H 94 4.226 4.226 4.346 -0.120 18726 3488 1 5 . 1 1 94 94 SER CA C 94 62.390 62.390 60.850 1.540 18726 3489 1 5 . 1 1 94 94 SER CB C 94 62.733 62.733 63.324 -0.591 18726 3490 1 5 . 1 1 94 94 SER H H 94 8.660 8.660 7.655 1.005 18726 3491 1 5 . 1 1 95 95 SER N N 95 112.698 112.698 114.126 -1.428 18726 3492 1 5 . 1 1 95 95 SER HA H 95 4.441 4.441 4.652 -0.211 18726 3493 1 5 . 1 1 95 95 SER CA C 95 59.301 59.301 57.919 1.383 18726 3494 1 5 . 1 1 95 95 SER CB C 95 65.935 65.935 63.505 2.430 18726 3495 1 5 . 1 1 95 95 SER H H 95 8.048 8.048 7.612 0.435 18726 3496 1 5 . 1 1 96 96 GLY N N 96 110.277 110.277 109.769 0.508 18726 3497 1 5 . 1 1 96 96 GLY CA C 96 45.968 45.968 45.738 0.230 18726 3498 1 5 . 1 1 96 96 GLY H H 96 7.955 7.955 7.359 0.596 18726 3499 1 5 . 1 1 97 97 SER N N 97 115.595 115.595 115.878 -0.283 18726 3500 1 5 . 1 1 97 97 SER HA H 97 4.292 4.292 4.257 0.035 18726 3501 1 5 . 1 1 97 97 SER CA C 97 61.535 61.535 60.531 1.004 18726 3502 1 5 . 1 1 97 97 SER CB C 97 64.042 64.042 63.651 0.391 18726 3503 1 5 . 1 1 97 97 SER H H 97 8.216 8.216 8.112 0.104 18726 3504 1 5 . 1 1 98 98 VAL N N 98 116.579 116.579 116.021 0.558 18726 3505 1 5 . 1 1 98 98 VAL HA H 98 4.884 4.884 4.385 0.499 18726 3506 1 5 . 1 1 98 98 VAL CA C 98 59.111 59.111 60.161 -1.050 18726 3507 1 5 . 1 1 98 98 VAL CB C 98 35.051 35.051 33.003 2.048 18726 3508 1 5 . 1 1 98 98 VAL H H 98 7.288 7.288 7.510 -0.222 18726 3509 1 5 . 1 1 99 99 ASN N N 99 123.722 123.722 123.894 -0.172 18726 3510 1 5 . 1 1 99 99 ASN HA H 99 4.627 4.627 4.875 -0.248 18726 3511 1 5 . 1 1 99 99 ASN CA C 99 51.838 51.838 51.987 -0.149 18726 3512 1 5 . 1 1 99 99 ASN CB C 99 40.676 40.676 40.680 -0.004 18726 3513 1 5 . 1 1 99 99 ASN H H 99 9.179 9.179 8.520 0.659 18726 3514 1 5 . 1 1 100 100 ASN N N 100 115.148 115.148 118.299 -3.151 18726 3515 1 5 . 1 1 100 100 ASN HA H 100 4.292 4.292 4.754 -0.462 18726 3516 1 5 . 1 1 100 100 ASN CA C 100 56.894 56.894 53.773 3.120 18726 3517 1 5 . 1 1 100 100 ASN CB C 100 38.281 38.281 37.105 1.175 18726 3518 1 5 . 1 1 100 100 ASN H H 100 8.667 8.667 8.670 -0.003 18726 3519 1 5 . 1 1 101 101 ASN N N 101 115.201 115.201 117.955 -2.754 18726 3520 1 5 . 1 1 101 101 ASN HA H 101 4.711 4.711 4.657 0.054 18726 3521 1 5 . 1 1 101 101 ASN CA C 101 55.306 55.306 54.855 0.452 18726 3522 1 5 . 1 1 101 101 ASN CB C 101 39.256 39.256 39.807 -0.551 18726 3523 1 5 . 1 1 101 101 ASN H H 101 8.471 8.471 8.285 0.186 18726 3524 1 5 . 1 1 102 102 ASN N N 102 116.780 116.780 118.137 -1.357 18726 3525 1 5 . 1 1 102 102 ASN HA H 102 5.124 5.124 4.909 0.215 18726 3526 1 5 . 1 1 102 102 ASN CA C 102 51.950 51.950 53.296 -1.346 18726 3527 1 5 . 1 1 102 102 ASN CB C 102 39.089 39.089 40.331 -1.242 18726 3528 1 5 . 1 1 102 102 ASN H H 102 7.854 7.854 8.079 -0.225 18726 3529 1 5 . 1 1 103 103 ALA N N 103 121.808 121.808 124.218 -2.410 18726 3530 1 5 . 1 1 103 103 ALA HA H 103 3.747 3.747 3.916 -0.169 18726 3531 1 5 . 1 1 103 103 ALA CA C 103 57.058 57.058 55.948 1.110 18726 3532 1 5 . 1 1 103 103 ALA CB C 103 19.511 19.511 18.504 1.007 18726 3533 1 5 . 1 1 103 103 ALA H H 103 7.447 7.447 7.718 -0.271 18726 3534 1 5 . 1 1 104 104 LYS N N 104 114.873 114.873 117.321 -2.448 18726 3535 1 5 . 1 1 104 104 LYS HA H 104 3.992 3.992 4.226 -0.234 18726 3536 1 5 . 1 1 104 104 LYS CA C 104 60.284 60.284 59.092 1.192 18726 3537 1 5 . 1 1 104 104 LYS CB C 104 32.322 32.322 31.511 0.811 18726 3538 1 5 . 1 1 104 104 LYS H H 104 8.344 8.344 8.517 -0.173 18726 3539 1 5 . 1 1 105 105 GLN N N 105 120.720 120.720 119.669 1.051 18726 3540 1 5 . 1 1 105 105 GLN HA H 105 4.094 4.094 4.140 -0.046 18726 3541 1 5 . 1 1 105 105 GLN CA C 105 59.137 59.137 59.676 -0.539 18726 3542 1 5 . 1 1 105 105 GLN CB C 105 28.339 28.339 28.661 -0.322 18726 3543 1 5 . 1 1 105 105 GLN H H 105 7.892 7.892 7.397 0.494 18726 3544 1 5 . 1 1 106 106 VAL N N 106 120.556 120.556 120.507 0.049 18726 3545 1 5 . 1 1 106 106 VAL HA H 106 3.567 3.567 3.692 -0.125 18726 3546 1 5 . 1 1 106 106 VAL CA C 106 66.496 66.496 65.177 1.319 18726 3547 1 5 . 1 1 106 106 VAL CB C 106 31.848 31.848 31.390 0.458 18726 3548 1 5 . 1 1 106 106 VAL H H 106 8.693 8.693 8.752 -0.059 18726 3549 1 5 . 1 1 107 107 ALA N N 107 119.655 119.655 121.567 -1.912 18726 3550 1 5 . 1 1 107 107 ALA HA H 107 3.813 3.813 4.025 -0.212 18726 3551 1 5 . 1 1 107 107 ALA CA C 107 55.884 55.884 55.504 0.380 18726 3552 1 5 . 1 1 107 107 ALA CB C 107 18.174 18.174 18.232 -0.058 18726 3553 1 5 . 1 1 107 107 ALA H H 107 8.750 8.750 8.199 0.551 18726 3554 1 5 . 1 1 108 108 SER N N 108 115.469 115.469 114.498 0.971 18726 3555 1 5 . 1 1 108 108 SER HA H 108 4.304 4.304 4.264 0.040 18726 3556 1 5 . 1 1 108 108 SER CA C 108 61.950 61.950 61.909 0.041 18726 3557 1 5 . 1 1 108 108 SER CB C 108 63.290 63.290 63.180 0.110 18726 3558 1 5 . 1 1 108 108 SER H H 108 8.162 8.162 7.839 0.323 18726 3559 1 5 . 1 1 109 109 THR N N 109 119.201 119.201 120.253 -1.052 18726 3560 1 5 . 1 1 109 109 THR HA H 109 4.052 4.052 4.355 -0.303 18726 3561 1 5 . 1 1 109 109 THR CA C 109 67.195 67.195 66.071 1.124 18726 3562 1 5 . 1 1 109 109 THR CB C 109 68.832 68.832 68.889 -0.057 18726 3563 1 5 . 1 1 109 109 THR H H 109 8.218 8.218 8.103 0.115 18726 3564 1 5 . 1 1 110 110 LEU N N 110 122.329 122.329 123.751 -1.422 18726 3565 1 5 . 1 1 110 110 LEU HA H 110 3.920 3.920 3.939 -0.019 18726 3566 1 5 . 1 1 110 110 LEU CA C 110 59.025 59.025 59.198 -0.173 18726 3567 1 5 . 1 1 110 110 LEU CB C 110 43.211 43.211 41.913 1.298 18726 3568 1 5 . 1 1 110 110 LEU H H 110 9.083 9.083 8.469 0.614 18726 3569 1 5 . 1 1 111 111 SER N N 111 113.018 113.018 113.937 -0.919 18726 3570 1 5 . 1 1 111 111 SER HA H 111 3.747 3.747 4.076 -0.329 18726 3571 1 5 . 1 1 111 111 SER CA C 111 63.848 63.848 62.490 1.358 18726 3572 1 5 . 1 1 111 111 SER CB C 111 63.958 63.958 62.625 1.333 18726 3573 1 5 . 1 1 111 111 SER H H 111 8.052 8.052 7.850 0.202 18726 3574 1 5 . 1 1 112 112 GLU N N 112 122.329 122.329 123.368 -1.039 18726 3575 1 5 . 1 1 112 112 GLU HA H 112 3.741 3.741 3.899 -0.158 18726 3576 1 5 . 1 1 112 112 GLU CA C 112 60.431 60.431 59.721 0.710 18726 3577 1 5 . 1 1 112 112 GLU CB C 112 29.199 29.199 29.546 -0.347 18726 3578 1 5 . 1 1 112 112 GLU H H 112 8.358 8.358 7.932 0.426 18726 3579 1 5 . 1 1 113 113 ASN N N 113 113.629 113.629 118.453 -4.824 18726 3580 1 5 . 1 1 113 113 ASN HA H 113 4.375 4.375 4.508 -0.133 18726 3581 1 5 . 1 1 113 113 ASN CA C 113 57.523 57.523 56.626 0.897 18726 3582 1 5 . 1 1 113 113 ASN CB C 113 40.788 40.788 38.927 1.861 18726 3583 1 5 . 1 1 113 113 ASN H H 113 7.265 7.265 8.338 -1.073 18726 3584 1 5 . 1 1 114 114 LEU N N 114 118.054 118.054 122.775 -4.721 18726 3585 1 5 . 1 1 114 114 LEU HA H 114 3.944 3.944 4.085 -0.141 18726 3586 1 5 . 1 1 114 114 LEU CA C 114 58.619 58.619 58.466 0.153 18726 3587 1 5 . 1 1 114 114 LEU CB C 114 43.489 43.489 42.139 1.350 18726 3588 1 5 . 1 1 114 114 LEU H H 114 8.417 8.417 8.664 -0.247 18726 3589 1 5 . 1 1 115 115 VAL N N 115 115.990 115.990 118.721 -2.731 18726 3590 1 5 . 1 1 115 115 VAL HA H 115 3.561 3.561 3.595 -0.034 18726 3591 1 5 . 1 1 115 115 VAL CA C 115 67.730 67.730 66.958 0.772 18726 3592 1 5 . 1 1 115 115 VAL CB C 115 31.820 31.820 31.234 0.586 18726 3593 1 5 . 1 1 115 115 VAL H H 115 8.051 8.051 8.485 -0.434 18726 3594 1 5 . 1 1 116 116 ARG N N 116 116.541 116.541 120.527 -3.986 18726 3595 1 5 . 1 1 116 116 ARG HA H 116 3.771 3.771 3.916 -0.145 18726 3596 1 5 . 1 1 116 116 ARG CA C 116 60.552 60.552 59.890 0.662 18726 3597 1 5 . 1 1 116 116 ARG CB C 116 30.790 30.790 30.076 0.714 18726 3598 1 5 . 1 1 116 116 ARG H H 116 7.799 7.799 7.939 -0.140 18726 3599 1 5 . 1 1 117 117 GLU N N 117 116.013 116.013 119.306 -3.293 18726 3600 1 5 . 1 1 117 117 GLU HA H 117 4.627 4.627 4.178 0.449 18726 3601 1 5 . 1 1 117 117 GLU CA C 117 57.593 57.593 58.856 -1.263 18726 3602 1 5 . 1 1 117 117 GLU CB C 117 28.952 28.952 29.236 -0.284 18726 3603 1 5 . 1 1 117 117 GLU H H 117 8.089 8.089 8.064 0.025 18726 3604 1 5 . 1 1 118 118 MET N N 118 120.497 120.497 120.153 0.344 18726 3605 1 5 . 1 1 118 118 MET HA H 118 4.046 4.046 4.296 -0.250 18726 3606 1 5 . 1 1 118 118 MET CA C 118 60.845 60.845 59.627 1.218 18726 3607 1 5 . 1 1 118 118 MET CB C 118 34.132 34.132 32.625 1.507 18726 3608 1 5 . 1 1 118 118 MET H H 118 8.751 8.751 8.669 0.082 18726 3609 1 5 . 1 1 119 119 ALA N N 119 119.171 119.171 120.634 -1.463 18726 3610 1 5 . 1 1 119 119 ALA HA H 119 3.819 3.819 4.020 -0.201 18726 3611 1 5 . 1 1 119 119 ALA CA C 119 55.979 55.979 55.331 0.648 18726 3612 1 5 . 1 1 119 119 ALA CB C 119 18.954 18.954 18.303 0.651 18726 3613 1 5 . 1 1 119 119 ALA H H 119 7.903 7.903 8.673 -0.770 18726 3614 1 5 . 1 1 120 120 ASN N N 120 115.223 115.223 116.413 -1.190 18726 3615 1 5 . 1 1 120 120 ASN HA H 120 4.465 4.465 4.521 -0.056 18726 3616 1 5 . 1 1 120 120 ASN CA C 120 56.480 56.480 55.911 0.569 18726 3617 1 5 . 1 1 120 120 ASN CB C 120 38.922 38.922 38.406 0.516 18726 3618 1 5 . 1 1 120 120 ASN H H 120 7.687 7.687 7.929 -0.242 18726 3619 1 5 . 1 1 121 121 THR N N 121 117.264 117.264 116.372 0.892 18726 3620 1 5 . 1 1 121 121 THR HA H 121 3.956 3.956 4.217 -0.261 18726 3621 1 5 . 1 1 121 121 THR CA C 121 67.074 67.074 66.118 0.956 18726 3622 1 5 . 1 1 121 121 THR CB C 121 68.247 68.247 68.946 -0.699 18726 3623 1 5 . 1 1 121 121 THR H H 121 8.726 8.726 8.068 0.658 18726 3624 1 5 . 1 1 122 122 ALA N N 122 123.581 123.581 125.299 -1.718 18726 3625 1 5 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.315 -0.359 18726 3626 1 5 . 1 1 122 122 ALA CA C 122 55.824 55.824 55.065 0.759 18726 3627 1 5 . 1 1 122 122 ALA CB C 122 16.782 16.782 18.322 -1.540 18726 3628 1 5 . 1 1 122 122 ALA H H 122 8.955 8.955 8.736 0.219 18726 3629 1 5 . 1 1 123 123 ARG N N 123 116.698 116.698 117.811 -1.113 18726 3630 1 5 . 1 1 123 123 ARG HA H 123 4.190 4.190 4.135 0.055 18726 3631 1 5 . 1 1 123 123 ARG CA C 123 59.732 59.732 58.983 0.749 18726 3632 1 5 . 1 1 123 123 ARG CB C 123 30.233 30.233 29.745 0.487 18726 3633 1 5 . 1 1 123 123 ARG H H 123 7.439 7.439 8.130 -0.691 18726 3634 1 5 . 1 1 124 124 ARG N N 124 119.231 119.231 118.637 0.594 18726 3635 1 5 . 1 1 124 124 ARG HA H 124 4.082 4.082 4.117 -0.035 18726 3636 1 5 . 1 1 124 124 ARG CA C 124 58.240 58.240 57.820 0.420 18726 3637 1 5 . 1 1 124 124 ARG CB C 124 29.314 29.314 29.930 -0.616 18726 3638 1 5 . 1 1 124 124 ARG H H 124 7.669 7.669 7.679 -0.010 18726 3639 1 5 . 1 1 125 125 TYR N N 125 118.650 118.650 117.520 1.130 18726 3640 1 5 . 1 1 125 125 TYR HA H 125 4.567 4.567 4.629 -0.062 18726 3641 1 5 . 1 1 125 125 TYR CA C 125 57.748 57.748 57.202 0.546 18726 3642 1 5 . 1 1 125 125 TYR CB C 125 38.059 38.059 37.622 0.437 18726 3643 1 5 . 1 1 125 125 TYR H H 125 7.606 7.606 7.718 -0.112 18726 3644 1 5 . 1 1 126 126 ARG N N 126 110.322 110.322 117.314 -6.992 18726 3645 1 5 . 1 1 126 126 ARG HA H 126 3.789 3.789 4.089 -0.300 18726 3646 1 5 . 1 1 126 126 ARG CA C 126 57.860 57.860 56.843 1.017 18726 3647 1 5 . 1 1 126 126 ARG CB C 126 27.866 27.866 27.855 0.011 18726 3648 1 5 . 1 1 126 126 ARG H H 126 7.657 7.657 7.712 -0.055 18726 3649 1 5 . 1 1 127 127 VAL N N 127 120.877 120.877 116.209 4.668 18726 3650 1 5 . 1 1 127 127 VAL HA H 127 4.004 4.004 4.154 -0.150 18726 3651 1 5 . 1 1 127 127 VAL CA C 127 62.105 62.105 62.035 0.070 18726 3652 1 5 . 1 1 127 127 VAL CB C 127 31.681 31.681 31.965 -0.284 18726 3653 1 5 . 1 1 127 127 VAL H H 127 7.601 7.601 7.833 -0.232 18726 3654 1 5 . 1 1 128 128 ASN N N 128 125.726 125.726 118.388 7.338 18726 3655 1 5 . 1 1 128 128 ASN HA H 128 4.663 4.663 4.368 0.295 18726 3656 1 5 . 1 1 128 128 ASN CA C 128 52.787 52.787 54.009 -1.222 18726 3657 1 5 . 1 1 128 128 ASN CB C 128 39.476 39.476 38.284 1.192 18726 3658 1 5 . 1 1 128 128 ASN H H 128 8.604 8.604 7.793 0.811 18726 3659 1 5 . 1 1 129 129 VAL N N 129 126.963 126.963 122.163 4.800 18726 3660 1 5 . 1 1 129 129 VAL HA H 129 4.286 4.286 4.394 -0.108 18726 3661 1 5 . 1 1 129 129 VAL CA C 129 59.637 59.637 59.150 0.487 18726 3662 1 5 . 1 1 129 129 VAL CB C 129 33.101 33.101 32.249 0.852 18726 3663 1 5 . 1 1 129 129 VAL H H 129 8.223 8.223 8.204 0.019 18726 3664 1 5 . 1 1 130 130 PRO HA H 130 4.435 4.435 4.580 -0.145 18726 3665 1 5 . 1 1 130 130 PRO CA C 130 63.045 63.045 62.131 0.914 18726 3666 1 5 . 1 1 130 130 PRO CB C 130 32.795 32.795 33.101 -0.306 18726 3667 1 5 . 1 1 131 131 GLU N N 131 125.786 125.786 123.219 2.567 18726 3668 1 5 . 1 1 131 131 GLU HA H 131 3.944 3.944 3.909 0.035 18726 3669 1 5 . 1 1 131 131 GLU CA C 131 60.431 60.431 60.288 0.143 18726 3670 1 5 . 1 1 131 131 GLU CB C 131 29.147 29.147 29.287 -0.140 18726 3671 1 5 . 1 1 131 131 GLU H H 131 9.135 9.135 8.947 0.188 18726 3672 1 5 . 1 1 132 132 ALA N N 132 119.640 119.640 120.265 -0.625 18726 3673 1 5 . 1 1 132 132 ALA HA H 132 4.183 4.183 4.149 0.034 18726 3674 1 5 . 1 1 132 132 ALA CA C 132 55.341 55.341 54.589 0.752 18726 3675 1 5 . 1 1 132 132 ALA CB C 132 18.314 18.314 18.215 0.099 18726 3676 1 5 . 1 1 132 132 ALA H H 132 9.105 9.105 8.272 0.833 18726 3677 1 5 . 1 1 133 133 SER N N 133 114.523 114.523 113.002 1.521 18726 3678 1 5 . 1 1 133 133 SER HA H 133 4.328 4.328 4.327 0.001 18726 3679 1 5 . 1 1 133 133 SER CA C 133 61.673 61.673 60.236 1.437 18726 3680 1 5 . 1 1 133 133 SER CB C 133 62.621 62.621 64.029 -1.408 18726 3681 1 5 . 1 1 133 133 SER H H 133 7.417 7.417 7.884 -0.467 18726 3682 1 5 . 1 1 134 134 VAL N N 134 124.609 124.609 122.227 2.382 18726 3683 1 5 . 1 1 134 134 VAL HA H 134 3.495 3.495 3.687 -0.192 18726 3684 1 5 . 1 1 134 134 VAL CA C 134 66.867 66.867 65.986 0.881 18726 3685 1 5 . 1 1 134 134 VAL CB C 134 31.514 31.514 31.191 0.323 18726 3686 1 5 . 1 1 134 134 VAL H H 134 7.731 7.731 7.852 -0.121 18726 3687 1 5 . 1 1 135 135 GLN N N 135 118.590 118.590 119.355 -0.765 18726 3688 1 5 . 1 1 135 135 GLN HA H 135 3.932 3.932 4.000 -0.068 18726 3689 1 5 . 1 1 135 135 GLN CA C 135 59.154 59.154 59.066 0.088 18726 3690 1 5 . 1 1 135 135 GLN CB C 135 27.810 27.810 27.167 0.643 18726 3691 1 5 . 1 1 135 135 GLN H H 135 8.247 8.247 8.572 -0.325 18726 3692 1 5 . 1 1 136 136 ALA N N 136 121.867 121.867 121.789 0.078 18726 3693 1 5 . 1 1 136 136 ALA HA H 136 4.184 4.184 4.069 0.115 18726 3694 1 5 . 1 1 136 136 ALA CA C 136 55.229 55.229 55.019 0.210 18726 3695 1 5 . 1 1 136 136 ALA CB C 136 17.924 17.924 17.742 0.182 18726 3696 1 5 . 1 1 136 136 ALA H H 136 7.617 7.617 7.601 0.016 18726 3697 1 5 . 1 1 137 137 ASP N N 137 121.450 121.450 118.906 2.544 18726 3698 1 5 . 1 1 137 137 ASP HA H 137 4.423 4.423 4.428 -0.005 18726 3699 1 5 . 1 1 137 137 ASP CA C 137 57.480 57.480 57.272 0.208 18726 3700 1 5 . 1 1 137 137 ASP CB C 137 41.735 41.735 40.234 1.501 18726 3701 1 5 . 1 1 137 137 ASP H H 137 8.097 8.097 7.434 0.663 18726 3702 1 5 . 1 1 138 138 VAL N N 138 121.018 121.018 119.674 1.344 18726 3703 1 5 . 1 1 138 138 VAL HA H 138 3.543 3.543 3.696 -0.153 18726 3704 1 5 . 1 1 138 138 VAL CA C 138 67.644 67.644 66.393 1.251 18726 3705 1 5 . 1 1 138 138 VAL CB C 138 31.625 31.625 31.277 0.348 18726 3706 1 5 . 1 1 138 138 VAL H H 138 8.630 8.630 8.216 0.414 18726 3707 1 5 . 1 1 139 139 SER N N 139 117.279 117.279 116.330 0.949 18726 3708 1 5 . 1 1 139 139 SER HA H 139 4.087 4.087 4.359 -0.272 18726 3709 1 5 . 1 1 139 139 SER CA C 139 62.191 62.191 62.171 0.020 18726 3710 1 5 . 1 1 139 139 SER CB C 139 62.996 62.996 63.265 -0.269 18726 3711 1 5 . 1 1 139 139 SER H H 139 8.146 8.146 8.036 0.110 18726 3712 1 5 . 1 1 140 140 LEU N N 140 123.402 123.402 122.651 0.751 18726 3713 1 5 . 1 1 140 140 LEU HA H 140 4.184 4.184 4.199 -0.015 18726 3714 1 5 . 1 1 140 140 LEU CA C 140 59.025 59.025 58.140 0.885 18726 3715 1 5 . 1 1 140 140 LEU CB C 140 42.459 42.459 42.060 0.399 18726 3716 1 5 . 1 1 140 140 LEU H H 140 8.283 8.283 7.652 0.631 18726 3717 1 5 . 1 1 141 141 VAL N N 141 112.944 112.944 115.941 -2.997 18726 3718 1 5 . 1 1 141 141 VAL HA H 141 3.956 3.956 3.693 0.263 18726 3719 1 5 . 1 1 141 141 VAL CA C 141 66.169 66.169 66.295 -0.126 18726 3720 1 5 . 1 1 141 141 VAL CB C 141 30.762 30.762 30.507 0.255 18726 3721 1 5 . 1 1 141 141 VAL H H 141 8.969 8.969 8.099 0.870 18726 3722 1 5 . 1 1 142 142 THR N N 142 114.612 114.612 114.738 -0.126 18726 3723 1 5 . 1 1 142 142 THR HA H 142 4.160 4.160 4.219 -0.059 18726 3724 1 5 . 1 1 142 142 THR CA C 142 65.668 65.668 66.326 -0.658 18726 3725 1 5 . 1 1 142 142 THR CB C 142 68.804 68.804 68.484 0.320 18726 3726 1 5 . 1 1 142 142 THR H H 142 8.134 8.134 8.309 -0.175 18726 3727 1 5 . 1 1 143 143 SER N N 143 120.124 120.124 118.553 1.571 18726 3728 1 5 . 1 1 143 143 SER HA H 143 4.292 4.292 4.223 0.069 18726 3729 1 5 . 1 1 143 143 SER CA C 143 62.079 62.079 61.970 0.109 18726 3730 1 5 . 1 1 143 143 SER CB C 143 62.928 62.928 62.842 0.086 18726 3731 1 5 . 1 1 143 143 SER H H 143 8.014 8.014 8.166 -0.152 18726 3732 1 5 . 1 1 144 144 MET N N 144 119.335 119.335 118.833 0.502 18726 3733 1 5 . 1 1 144 144 MET HA H 144 4.226 4.226 4.322 -0.096 18726 3734 1 5 . 1 1 144 144 MET CA C 144 59.189 59.189 58.536 0.653 18726 3735 1 5 . 1 1 144 144 MET CB C 144 33.826 33.826 32.668 1.158 18726 3736 1 5 . 1 1 144 144 MET H H 144 8.172 8.172 7.949 0.223 18726 3737 1 5 . 1 1 145 145 THR N N 145 107.737 107.737 113.982 -6.245 18726 3738 1 5 . 1 1 145 145 THR HA H 145 4.052 4.052 4.117 -0.065 18726 3739 1 5 . 1 1 145 145 THR CA C 145 64.659 64.659 65.404 -0.745 18726 3740 1 5 . 1 1 145 145 THR CB C 145 69.138 69.138 68.043 1.095 18726 3741 1 5 . 1 1 145 145 THR H H 145 7.985 7.985 7.845 0.140 18726 3742 1 5 . 1 1 146 146 SER N N 146 113.986 113.986 117.659 -3.673 18726 3743 1 5 . 1 1 146 146 SER HA H 146 4.393 4.393 4.209 0.184 18726 3744 1 5 . 1 1 146 146 SER CA C 146 60.975 60.975 61.029 -0.054 18726 3745 1 5 . 1 1 146 146 SER CB C 146 63.847 63.847 63.075 0.772 18726 3746 1 5 . 1 1 146 146 SER H H 146 7.802 7.802 8.184 -0.382 18726 3747 1 5 . 1 1 147 147 THR N N 147 109.308 109.308 113.409 -4.101 18726 3748 1 5 . 1 1 147 147 THR HA H 147 4.405 4.405 4.484 -0.079 18726 3749 1 5 . 1 1 147 147 THR CA C 147 61.259 61.259 60.921 0.338 18726 3750 1 5 . 1 1 147 147 THR CB C 147 69.556 69.556 68.829 0.727 18726 3751 1 5 . 1 1 147 147 THR H H 147 7.206 7.206 7.511 -0.305 18726 3752 1 5 . 1 1 148 148 PHE N N 148 122.746 122.746 124.396 -1.650 18726 3753 1 5 . 1 1 148 148 PHE HA H 148 4.441 4.441 4.760 -0.319 18726 3754 1 5 . 1 1 148 148 PHE CA C 148 58.913 58.913 56.603 2.310 18726 3755 1 5 . 1 1 148 148 PHE CB C 148 39.952 39.952 41.158 -1.206 18726 3756 1 5 . 1 1 148 148 PHE H H 148 7.299 7.299 7.832 -0.533 18726 3757 1 5 . 1 1 149 149 VAL N N 149 124.892 124.892 128.678 -3.786 18726 3758 1 5 . 1 1 149 149 VAL HA H 149 3.938 3.938 4.024 -0.086 18726 3759 1 5 . 1 1 149 149 VAL CA C 149 61.233 61.233 59.481 1.752 18726 3760 1 5 . 1 1 149 149 VAL CB C 149 34.410 34.410 35.020 -0.610 18726 3761 1 5 . 1 1 149 149 VAL H H 149 7.759 7.759 8.512 -0.753 18726 3762 1 5 . 1 1 150 150 ILE N N 150 124.892 124.892 128.007 -3.115 18726 3763 1 5 . 1 1 150 150 ILE HA H 150 4.015 4.015 3.957 0.058 18726 3764 1 5 . 1 1 150 150 ILE CA C 150 60.655 60.655 61.494 -0.839 18726 3765 1 5 . 1 1 150 150 ILE CB C 150 38.755 38.755 37.163 1.592 18726 3766 1 5 . 1 1 150 150 ILE H H 150 8.120 8.120 8.350 -0.230 18726 3767 1 5 . 1 1 151 151 SER N N 151 121.942 121.942 121.758 0.184 18726 3768 1 5 . 1 1 151 151 SER HA H 151 4.483 4.483 4.024 0.459 18726 3769 1 5 . 1 1 151 151 SER CA C 151 58.136 58.136 59.227 -1.091 18726 3770 1 5 . 1 1 151 151 SER CB C 151 64.264 64.264 62.894 1.371 18726 3771 1 5 . 1 1 151 151 SER H H 151 8.746 8.746 9.055 -0.309 18726 3772 1 5 . 1 1 152 152 SER HA H 152 4.453 4.453 4.051 0.402 18726 3773 1 5 . 1 1 152 152 SER CA C 152 58.481 58.481 60.001 -1.520 18726 3774 1 5 . 1 1 152 152 SER CB C 152 64.188 64.188 62.231 1.957 18726 3775 1 5 . 1 1 153 153 GLN N N 153 122.081 122.081 119.109 2.972 18726 3776 1 5 . 1 1 153 153 GLN HA H 153 4.325 4.325 3.868 0.457 18726 3777 1 5 . 1 1 153 153 GLN CA C 153 56.104 56.104 58.150 -2.046 18726 3778 1 5 . 1 1 153 153 GLN CB C 153 29.322 29.322 28.507 0.815 18726 3779 1 5 . 1 1 153 153 GLN H H 153 8.404 8.404 7.687 0.717 18726 3780 1 5 . 1 1 154 154 THR HA H 154 4.345 4.345 3.892 0.453 18726 3781 1 5 . 1 1 154 154 THR CA C 154 62.036 62.036 63.403 -1.367 18726 3782 1 5 . 1 1 154 154 THR CB C 154 69.806 69.806 68.079 1.727 18726 3783 1 5 . 1 1 155 155 SER N N 155 118.158 118.158 114.806 3.352 18726 3784 1 5 . 1 1 155 155 SER HA H 155 4.465 4.465 4.600 -0.135 18726 3785 1 5 . 1 1 155 155 SER CA C 155 58.447 58.447 58.172 0.275 18726 3786 1 5 . 1 1 155 155 SER CB C 155 64.069 64.069 63.816 0.253 18726 3787 1 5 . 1 1 155 155 SER H H 155 8.275 8.275 8.271 0.004 18726 3788 1 5 . 1 1 156 156 VAL N N 156 121.614 121.614 120.490 1.124 18726 3789 1 5 . 1 1 156 156 VAL HA H 156 4.094 4.094 4.236 -0.142 18726 3790 1 5 . 1 1 156 156 VAL CA C 156 62.553 62.553 61.773 0.780 18726 3791 1 5 . 1 1 156 156 VAL CB C 156 32.823 32.823 34.285 -1.462 18726 3792 1 5 . 1 1 156 156 VAL H H 156 8.103 8.103 7.443 0.660 18726 3793 1 5 . 1 1 157 157 GLN N N 157 123.938 123.938 125.171 -1.233 18726 3794 1 5 . 1 1 157 157 GLN HA H 157 4.310 4.310 4.761 -0.451 18726 3795 1 5 . 1 1 157 157 GLN CA C 157 55.867 55.867 55.514 0.353 18726 3796 1 5 . 1 1 157 157 GLN CB C 157 29.370 29.370 29.765 -0.395 18726 3797 1 5 . 1 1 157 157 GLN H H 157 8.371 8.371 8.524 -0.153 18726 3798 1 5 . 1 1 158 158 MET N N 158 122.300 122.300 121.416 0.884 18726 3799 1 5 . 1 1 158 158 MET HA H 158 4.470 4.470 5.013 -0.543 18726 3800 1 5 . 1 1 158 158 MET CA C 158 55.720 55.720 55.156 0.564 18726 3801 1 5 . 1 1 158 158 MET CB C 158 32.959 32.959 35.288 -2.329 18726 3802 1 5 . 1 1 158 158 MET H H 158 8.425 8.425 8.598 -0.173 18726 3803 1 5 . 1 1 159 159 GLY N N 159 110.605 110.605 108.037 2.568 18726 3804 1 5 . 1 1 159 159 GLY CA C 159 45.689 45.689 45.161 0.528 18726 3805 1 5 . 1 1 159 159 GLY H H 159 8.396 8.396 9.141 -0.745 18726 3806 1 6 . 1 1 1 1 SER HA H 1 4.417 4.417 4.458 -0.041 18726 3807 1 6 . 1 1 1 1 SER CA C 1 58.904 58.904 59.467 -0.563 18726 3808 1 6 . 1 1 1 1 SER CB C 1 64.069 64.069 63.455 0.614 18726 3809 1 6 . 1 1 2 2 GLY N N 2 110.955 110.955 107.562 3.393 18726 3810 1 6 . 1 1 2 2 GLY CA C 2 45.689 45.689 44.359 1.330 18726 3811 1 6 . 1 1 2 2 GLY H H 2 8.620 8.620 7.985 0.635 18726 3812 1 6 . 1 1 3 3 SER N N 3 116.638 116.638 113.688 2.950 18726 3813 1 6 . 1 1 3 3 SER HA H 3 4.495 4.495 3.893 0.602 18726 3814 1 6 . 1 1 3 3 SER CA C 3 58.386 58.386 57.988 0.398 18726 3815 1 6 . 1 1 3 3 SER CB C 3 64.877 64.877 61.974 2.903 18726 3816 1 6 . 1 1 3 3 SER H H 3 8.459 8.459 7.910 0.549 18726 3817 1 6 . 1 1 4 4 LEU N N 4 123.760 123.760 126.030 -2.270 18726 3818 1 6 . 1 1 4 4 LEU HA H 4 4.094 4.094 4.022 0.072 18726 3819 1 6 . 1 1 4 4 LEU CA C 4 58.973 58.973 57.856 1.117 18726 3820 1 6 . 1 1 4 4 LEU CB C 4 41.594 41.594 41.902 -0.308 18726 3821 1 6 . 1 1 4 4 LEU H H 4 8.700 8.700 8.858 -0.158 18726 3822 1 6 . 1 1 5 5 GLY N N 5 126.963 126.963 104.183 22.780 18726 3823 1 6 . 1 1 5 5 GLY CA C 5 46.887 46.887 47.089 -0.202 18726 3824 1 6 . 1 1 5 5 GLY H H 5 8.814 8.814 8.640 0.174 18726 3825 1 6 . 1 1 6 6 ASP N N 6 125.167 125.167 123.552 1.615 18726 3826 1 6 . 1 1 6 6 ASP HA H 6 4.369 4.369 4.574 -0.204 18726 3827 1 6 . 1 1 6 6 ASP CA C 6 57.972 57.972 57.381 0.591 18726 3828 1 6 . 1 1 6 6 ASP CB C 6 40.957 40.957 40.564 0.393 18726 3829 1 6 . 1 1 6 6 ASP H H 6 8.119 8.119 7.812 0.307 18726 3830 1 6 . 1 1 7 7 GLN N N 7 119.521 119.521 119.858 -0.337 18726 3831 1 6 . 1 1 7 7 GLN HA H 7 4.160 4.160 4.065 0.095 18726 3832 1 6 . 1 1 7 7 GLN CA C 7 59.404 59.404 59.070 0.334 18726 3833 1 6 . 1 1 7 7 GLN CB C 7 29.199 29.199 28.975 0.224 18726 3834 1 6 . 1 1 7 7 GLN H H 7 8.398 8.398 8.080 0.318 18726 3835 1 6 . 1 1 8 8 LEU N N 8 121.234 121.234 119.712 1.522 18726 3836 1 6 . 1 1 8 8 LEU HA H 8 3.801 3.801 4.013 -0.212 18726 3837 1 6 . 1 1 8 8 LEU CA C 8 57.722 57.722 58.069 -0.347 18726 3838 1 6 . 1 1 8 8 LEU CB C 8 42.403 42.403 41.424 0.979 18726 3839 1 6 . 1 1 8 8 LEU H H 8 9.087 9.087 8.089 0.998 18726 3840 1 6 . 1 1 9 9 THR N N 9 116.094 116.094 113.270 2.824 18726 3841 1 6 . 1 1 9 9 THR HA H 9 3.513 3.513 3.940 -0.427 18726 3842 1 6 . 1 1 9 9 THR CA C 9 68.886 68.886 66.367 2.519 18726 3843 1 6 . 1 1 9 9 THR CB C 9 67.968 67.968 68.428 -0.460 18726 3844 1 6 . 1 1 9 9 THR H H 9 8.188 8.188 8.211 -0.023 18726 3845 1 6 . 1 1 10 10 SER N N 10 115.044 115.044 118.654 -3.610 18726 3846 1 6 . 1 1 10 10 SER HA H 10 4.154 4.154 4.087 0.067 18726 3847 1 6 . 1 1 10 10 SER CA C 10 61.898 61.898 62.980 -1.082 18726 3848 1 6 . 1 1 10 10 SER CB C 10 62.900 62.900 63.109 -0.209 18726 3849 1 6 . 1 1 10 10 SER H H 10 7.801 7.801 8.533 -0.732 18726 3850 1 6 . 1 1 11 11 THR N N 11 119.022 119.022 118.657 0.365 18726 3851 1 6 . 1 1 11 11 THR HA H 11 3.920 3.920 3.978 -0.058 18726 3852 1 6 . 1 1 11 11 THR CA C 11 67.747 67.747 66.527 1.220 18726 3853 1 6 . 1 1 11 11 THR CB C 11 68.804 68.804 68.542 0.262 18726 3854 1 6 . 1 1 11 11 THR H H 11 8.147 8.147 7.692 0.455 18726 3855 1 6 . 1 1 12 12 LEU N N 12 120.609 120.609 122.613 -2.004 18726 3856 1 6 . 1 1 12 12 LEU HA H 12 3.890 3.890 3.878 0.012 18726 3857 1 6 . 1 1 12 12 LEU CA C 12 58.265 58.265 58.162 0.103 18726 3858 1 6 . 1 1 12 12 LEU CB C 12 42.598 42.598 41.508 1.090 18726 3859 1 6 . 1 1 12 12 LEU H H 12 8.368 8.368 8.444 -0.076 18726 3860 1 6 . 1 1 13 13 ALA N N 13 119.231 119.231 120.370 -1.139 18726 3861 1 6 . 1 1 13 13 ALA HA H 13 3.816 3.816 3.998 -0.182 18726 3862 1 6 . 1 1 13 13 ALA CA C 13 55.729 55.729 54.941 0.788 18726 3863 1 6 . 1 1 13 13 ALA CB C 13 17.422 17.422 18.098 -0.676 18726 3864 1 6 . 1 1 13 13 ALA H H 13 8.755 8.755 8.635 0.120 18726 3865 1 6 . 1 1 14 14 SER N N 14 116.251 116.251 115.974 0.277 18726 3866 1 6 . 1 1 14 14 SER HA H 14 4.052 4.052 4.072 -0.021 18726 3867 1 6 . 1 1 14 14 SER CA C 14 62.079 62.079 62.359 -0.280 18726 3868 1 6 . 1 1 14 14 SER CB C 14 63.111 63.111 62.974 0.137 18726 3869 1 6 . 1 1 14 14 SER H H 14 8.318 8.318 7.727 0.591 18726 3870 1 6 . 1 1 15 15 ALA N N 15 121.629 121.629 123.498 -1.869 18726 3871 1 6 . 1 1 15 15 ALA HA H 15 4.166 4.166 4.087 0.079 18726 3872 1 6 . 1 1 15 15 ALA CA C 15 54.918 54.918 54.711 0.207 18726 3873 1 6 . 1 1 15 15 ALA CB C 15 18.397 18.397 18.565 -0.168 18726 3874 1 6 . 1 1 15 15 ALA H H 15 7.943 7.943 8.179 -0.236 18726 3875 1 6 . 1 1 16 16 LEU N N 16 112.541 112.541 118.229 -5.688 18726 3876 1 6 . 1 1 16 16 LEU HA H 16 3.885 3.885 4.088 -0.203 18726 3877 1 6 . 1 1 16 16 LEU CA C 16 57.731 57.731 56.932 0.799 18726 3878 1 6 . 1 1 16 16 LEU CB C 16 42.208 42.208 41.579 0.629 18726 3879 1 6 . 1 1 16 16 LEU H H 16 8.083 8.083 8.085 -0.002 18726 3880 1 6 . 1 1 17 17 THR N N 17 116.527 116.527 112.580 3.947 18726 3881 1 6 . 1 1 17 17 THR HA H 17 3.388 3.388 4.167 -0.779 18726 3882 1 6 . 1 1 17 17 THR CA C 17 67.972 67.972 64.834 3.138 18726 3883 1 6 . 1 1 17 17 THR CB C 17 68.860 68.860 69.120 -0.260 18726 3884 1 6 . 1 1 17 17 THR H H 17 8.044 8.044 7.813 0.231 18726 3885 1 6 . 1 1 18 18 LYS N N 18 115.841 115.841 118.311 -2.470 18726 3886 1 6 . 1 1 18 18 LYS HA H 18 4.142 4.142 4.488 -0.346 18726 3887 1 6 . 1 1 18 18 LYS CA C 18 56.859 56.859 55.348 1.511 18726 3888 1 6 . 1 1 18 18 LYS CB C 18 34.271 34.271 32.818 1.453 18726 3889 1 6 . 1 1 18 18 LYS H H 18 6.810 6.810 7.474 -0.664 18726 3890 1 6 . 1 1 19 19 THR N N 19 108.482 108.482 113.405 -4.923 18726 3891 1 6 . 1 1 19 19 THR HA H 19 4.088 4.088 4.796 -0.708 18726 3892 1 6 . 1 1 19 19 THR CA C 19 61.656 61.656 60.377 1.278 18726 3893 1 6 . 1 1 19 19 THR CB C 19 70.168 70.168 71.674 -1.506 18726 3894 1 6 . 1 1 19 19 THR H H 19 7.419 7.419 7.194 0.225 18726 3895 1 6 . 1 1 20 20 ASN N N 20 126.031 126.031 125.286 0.745 18726 3896 1 6 . 1 1 20 20 ASN HA H 20 4.304 4.304 4.333 -0.029 18726 3897 1 6 . 1 1 20 20 ASN CA C 20 57.247 57.247 56.712 0.534 18726 3898 1 6 . 1 1 20 20 ASN CB C 20 39.033 39.033 37.788 1.245 18726 3899 1 6 . 1 1 20 20 ASN H H 20 11.715 11.715 9.090 2.625 18726 3900 1 6 . 1 1 21 21 THR N N 21 119.223 119.223 117.137 2.086 18726 3901 1 6 . 1 1 21 21 THR HA H 21 3.723 3.723 4.061 -0.338 18726 3902 1 6 . 1 1 21 21 THR CA C 21 68.803 68.803 65.952 2.851 18726 3903 1 6 . 1 1 21 21 THR CB C 21 70.168 70.168 68.759 1.409 18726 3904 1 6 . 1 1 21 21 THR H H 21 10.495 10.495 9.047 1.448 18726 3905 1 6 . 1 1 22 22 LEU N N 22 119.484 119.484 120.230 -0.746 18726 3906 1 6 . 1 1 22 22 LEU HA H 22 3.920 3.920 4.440 -0.520 18726 3907 1 6 . 1 1 22 22 LEU CA C 22 57.360 57.360 56.414 0.946 18726 3908 1 6 . 1 1 22 22 LEU CB C 22 40.983 40.983 42.126 -1.143 18726 3909 1 6 . 1 1 22 22 LEU H H 22 7.908 7.908 8.256 -0.348 18726 3910 1 6 . 1 1 23 23 LYS N N 23 121.033 121.033 120.192 0.841 18726 3911 1 6 . 1 1 23 23 LYS HA H 23 3.843 3.843 3.959 -0.116 18726 3912 1 6 . 1 1 23 23 LYS CA C 23 61.078 61.078 60.064 1.014 18726 3913 1 6 . 1 1 23 23 LYS CB C 23 32.210 32.210 32.134 0.076 18726 3914 1 6 . 1 1 23 23 LYS H H 23 7.968 7.968 8.582 -0.614 18726 3915 1 6 . 1 1 24 24 ALA N N 24 121.376 121.376 121.731 -0.355 18726 3916 1 6 . 1 1 24 24 ALA HA H 24 4.118 4.118 4.099 0.019 18726 3917 1 6 . 1 1 24 24 ALA CA C 24 54.892 54.892 55.506 -0.614 18726 3918 1 6 . 1 1 24 24 ALA CB C 24 18.564 18.564 18.389 0.175 18726 3919 1 6 . 1 1 24 24 ALA H H 24 8.239 8.239 8.321 -0.082 18726 3920 1 6 . 1 1 25 25 VAL N N 25 118.009 118.009 115.072 2.937 18726 3921 1 6 . 1 1 25 25 VAL HA H 25 3.244 3.244 3.661 -0.417 18726 3922 1 6 . 1 1 25 25 VAL CA C 25 67.420 67.420 65.587 1.833 18726 3923 1 6 . 1 1 25 25 VAL CB C 25 31.904 31.904 31.024 0.880 18726 3924 1 6 . 1 1 25 25 VAL H H 25 7.972 7.972 7.543 0.429 18726 3925 1 6 . 1 1 26 26 SER N N 26 113.107 113.107 116.752 -3.645 18726 3926 1 6 . 1 1 26 26 SER HA H 26 3.645 3.645 3.945 -0.300 18726 3927 1 6 . 1 1 26 26 SER CA C 26 62.157 62.157 61.391 0.766 18726 3928 1 6 . 1 1 26 26 SER CB C 26 63.206 63.206 63.185 0.021 18726 3929 1 6 . 1 1 26 26 SER H H 26 8.092 8.092 8.198 -0.106 18726 3930 1 6 . 1 1 27 27 ALA N N 27 122.069 122.069 123.377 -1.308 18726 3931 1 6 . 1 1 27 27 ALA HA H 27 4.178 4.178 4.233 -0.055 18726 3932 1 6 . 1 1 27 27 ALA CA C 27 54.504 54.504 54.398 0.106 18726 3933 1 6 . 1 1 27 27 ALA CB C 27 18.676 18.676 18.408 0.268 18726 3934 1 6 . 1 1 27 27 ALA H H 27 8.224 8.224 7.937 0.287 18726 3935 1 6 . 1 1 28 28 SER N N 28 111.990 111.990 112.826 -0.836 18726 3936 1 6 . 1 1 28 28 SER HA H 28 4.298 4.298 4.234 0.064 18726 3937 1 6 . 1 1 28 28 SER CA C 28 60.051 60.051 60.222 -0.171 18726 3938 1 6 . 1 1 28 28 SER CB C 28 64.376 64.376 63.640 0.736 18726 3939 1 6 . 1 1 28 28 SER H H 28 7.441 7.441 7.506 -0.065 18726 3940 1 6 . 1 1 29 29 LYS N N 29 116.653 116.653 120.118 -3.465 18726 3941 1 6 . 1 1 29 29 LYS HA H 29 4.010 4.010 4.063 -0.053 18726 3942 1 6 . 1 1 29 29 LYS CA C 29 56.859 56.859 56.261 0.598 18726 3943 1 6 . 1 1 29 29 LYS CB C 29 30.957 30.957 31.293 -0.336 18726 3944 1 6 . 1 1 29 29 LYS H H 29 7.725 7.725 7.523 0.202 18726 3945 1 6 . 1 1 30 30 PRO HA H 30 4.501 4.501 4.384 0.117 18726 3946 1 6 . 1 1 30 30 PRO CA C 30 62.709 62.709 63.916 -1.207 18726 3947 1 6 . 1 1 30 30 PRO CB C 30 30.906 30.906 32.216 -1.310 18726 3948 1 6 . 1 1 31 31 SER N N 31 115.595 115.595 111.333 4.262 18726 3949 1 6 . 1 1 31 31 SER HA H 31 4.286 4.286 4.480 -0.194 18726 3950 1 6 . 1 1 31 31 SER CA C 31 57.739 57.739 57.476 0.263 18726 3951 1 6 . 1 1 31 31 SER CB C 31 64.515 64.515 64.282 0.233 18726 3952 1 6 . 1 1 31 31 SER H H 31 8.349 8.349 7.855 0.494 18726 3953 1 6 . 1 1 32 32 ALA N N 32 124.266 124.266 126.055 -1.789 18726 3954 1 6 . 1 1 32 32 ALA HA H 32 4.351 4.351 4.085 0.266 18726 3955 1 6 . 1 1 32 32 ALA CA C 32 55.772 55.772 54.603 1.169 18726 3956 1 6 . 1 1 32 32 ALA CB C 32 18.954 18.954 18.752 0.202 18726 3957 1 6 . 1 1 32 32 ALA H H 32 9.039 9.039 8.844 0.195 18726 3958 1 6 . 1 1 33 33 ASN N N 33 111.722 111.722 116.514 -4.792 18726 3959 1 6 . 1 1 33 33 ASN HA H 33 4.274 4.274 4.480 -0.206 18726 3960 1 6 . 1 1 33 33 ASN CA C 33 56.402 56.402 55.953 0.449 18726 3961 1 6 . 1 1 33 33 ASN CB C 33 37.780 37.780 37.888 -0.108 18726 3962 1 6 . 1 1 33 33 ASN H H 33 8.301 8.301 8.596 -0.295 18726 3963 1 6 . 1 1 34 34 VAL N N 34 123.804 123.804 119.194 4.610 18726 3964 1 6 . 1 1 34 34 VAL HA H 34 3.166 3.166 3.672 -0.506 18726 3965 1 6 . 1 1 34 34 VAL CA C 34 66.634 66.634 64.153 2.481 18726 3966 1 6 . 1 1 34 34 VAL CB C 34 31.347 31.347 31.568 -0.221 18726 3967 1 6 . 1 1 34 34 VAL H H 34 7.376 7.376 7.469 -0.093 18726 3968 1 6 . 1 1 35 35 ALA N N 35 122.314 122.314 122.832 -0.518 18726 3969 1 6 . 1 1 35 35 ALA HA H 35 3.591 3.591 3.805 -0.214 18726 3970 1 6 . 1 1 35 35 ALA CA C 35 56.255 56.255 55.445 0.810 18726 3971 1 6 . 1 1 35 35 ALA CB C 35 18.063 18.063 18.257 -0.194 18726 3972 1 6 . 1 1 35 35 ALA H H 35 8.558 8.558 8.535 0.023 18726 3973 1 6 . 1 1 36 36 VAL N N 36 115.595 115.595 117.755 -2.160 18726 3974 1 6 . 1 1 36 36 VAL HA H 36 3.316 3.316 3.691 -0.375 18726 3975 1 6 . 1 1 36 36 VAL CA C 36 67.756 67.756 66.479 1.277 18726 3976 1 6 . 1 1 36 36 VAL CB C 36 32.099 32.099 31.179 0.920 18726 3977 1 6 . 1 1 36 36 VAL H H 36 8.507 8.507 7.562 0.945 18726 3978 1 6 . 1 1 37 37 ALA N N 37 126.247 126.247 123.829 2.418 18726 3979 1 6 . 1 1 37 37 ALA HA H 37 4.040 4.040 4.212 -0.172 18726 3980 1 6 . 1 1 37 37 ALA CA C 37 56.048 56.048 54.971 1.077 18726 3981 1 6 . 1 1 37 37 ALA CB C 37 18.091 18.091 18.587 -0.496 18726 3982 1 6 . 1 1 37 37 ALA H H 37 7.801 7.801 7.346 0.456 18726 3983 1 6 . 1 1 38 38 ILE N N 38 118.344 118.344 119.164 -0.820 18726 3984 1 6 . 1 1 38 38 ILE HA H 38 3.561 3.561 3.826 -0.265 18726 3985 1 6 . 1 1 38 38 ILE CA C 38 66.263 66.263 65.461 0.802 18726 3986 1 6 . 1 1 38 38 ILE CB C 38 39.395 39.395 38.091 1.304 18726 3987 1 6 . 1 1 38 38 ILE H H 38 8.305 8.305 8.082 0.223 18726 3988 1 6 . 1 1 39 39 VAL N N 39 117.264 117.264 120.348 -3.084 18726 3989 1 6 . 1 1 39 39 VAL HA H 39 3.573 3.573 3.718 -0.145 18726 3990 1 6 . 1 1 39 39 VAL CA C 39 67.074 67.074 66.279 0.795 18726 3991 1 6 . 1 1 39 39 VAL CB C 39 32.127 32.127 31.910 0.217 18726 3992 1 6 . 1 1 39 39 VAL H H 39 8.331 8.331 8.121 0.210 18726 3993 1 6 . 1 1 40 40 THR N N 40 112.303 112.303 114.512 -2.209 18726 3994 1 6 . 1 1 40 40 THR HA H 40 3.831 3.831 3.943 -0.112 18726 3995 1 6 . 1 1 40 40 THR CA C 40 67.152 67.152 67.184 -0.032 18726 3996 1 6 . 1 1 40 40 THR CB C 40 68.776 68.776 68.345 0.431 18726 3997 1 6 . 1 1 40 40 THR H H 40 9.029 9.029 8.406 0.623 18726 3998 1 6 . 1 1 41 41 SER N N 41 117.085 117.085 118.687 -1.602 18726 3999 1 6 . 1 1 41 41 SER HA H 41 4.274 4.274 4.114 0.160 18726 4000 1 6 . 1 1 41 41 SER CA C 41 62.182 62.182 62.785 -0.603 18726 4001 1 6 . 1 1 41 41 SER CB C 41 63.067 63.067 62.685 0.382 18726 4002 1 6 . 1 1 41 41 SER H H 41 7.599 7.599 7.808 -0.209 18726 4003 1 6 . 1 1 42 42 GLY N N 42 107.258 107.258 109.424 -2.166 18726 4004 1 6 . 1 1 42 42 GLY CA C 42 47.917 47.917 46.655 1.262 18726 4005 1 6 . 1 1 42 42 GLY H H 42 7.599 7.599 7.503 0.096 18726 4006 1 6 . 1 1 43 43 LEU N N 43 122.262 122.262 122.925 -0.663 18726 4007 1 6 . 1 1 43 43 LEU HA H 43 3.914 3.914 3.885 0.029 18726 4008 1 6 . 1 1 43 43 LEU CA C 43 57.782 57.782 57.956 -0.174 18726 4009 1 6 . 1 1 43 43 LEU CB C 43 42.876 42.876 41.713 1.163 18726 4010 1 6 . 1 1 43 43 LEU H H 43 8.595 8.595 8.271 0.324 18726 4011 1 6 . 1 1 44 44 LYS N N 44 118.851 118.851 119.020 -0.169 18726 4012 1 6 . 1 1 44 44 LYS HA H 44 3.855 3.855 4.020 -0.165 18726 4013 1 6 . 1 1 44 44 LYS CA C 44 60.604 60.604 59.759 0.845 18726 4014 1 6 . 1 1 44 44 LYS CB C 44 32.322 32.322 32.172 0.149 18726 4015 1 6 . 1 1 44 44 LYS H H 44 8.589 8.589 8.343 0.246 18726 4016 1 6 . 1 1 45 45 LYS N N 45 118.322 118.322 119.890 -1.568 18726 4017 1 6 . 1 1 45 45 LYS HA H 45 4.160 4.160 4.029 0.131 18726 4018 1 6 . 1 1 45 45 LYS CA C 45 58.326 58.326 59.002 -0.676 18726 4019 1 6 . 1 1 45 45 LYS CB C 45 32.492 32.492 32.115 0.377 18726 4020 1 6 . 1 1 45 45 LYS H H 45 7.189 7.189 7.576 -0.387 18726 4021 1 6 . 1 1 46 46 ALA N N 46 121.301 121.301 122.156 -0.855 18726 4022 1 6 . 1 1 46 46 ALA HA H 46 3.831 3.831 4.082 -0.251 18726 4023 1 6 . 1 1 46 46 ALA CA C 46 55.539 55.539 55.092 0.447 18726 4024 1 6 . 1 1 46 46 ALA CB C 46 20.152 20.152 18.519 1.633 18726 4025 1 6 . 1 1 46 46 ALA H H 46 8.060 8.060 8.232 -0.172 18726 4026 1 6 . 1 1 47 47 LEU N N 47 116.206 116.206 117.229 -1.023 18726 4027 1 6 . 1 1 47 47 LEU HA H 47 3.902 3.902 4.004 -0.102 18726 4028 1 6 . 1 1 47 47 LEU CA C 47 57.929 57.929 57.438 0.492 18726 4029 1 6 . 1 1 47 47 LEU CB C 47 40.426 40.426 41.623 -1.197 18726 4030 1 6 . 1 1 47 47 LEU H H 47 9.045 9.045 8.418 0.627 18726 4031 1 6 . 1 1 48 48 GLY N N 48 106.001 106.001 106.649 -0.648 18726 4032 1 6 . 1 1 48 48 GLY CA C 48 46.859 46.859 46.816 0.043 18726 4033 1 6 . 1 1 48 48 GLY H H 48 7.739 7.739 8.182 -0.443 18726 4034 1 6 . 1 1 49 49 ALA N N 49 125.570 125.570 124.287 1.283 18726 4035 1 6 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.400 -0.222 18726 4036 1 6 . 1 1 49 49 ALA CA C 49 54.573 54.573 53.761 0.812 18726 4037 1 6 . 1 1 49 49 ALA CB C 49 18.369 18.369 18.751 -0.382 18726 4038 1 6 . 1 1 49 49 ALA H H 49 7.763 7.763 7.996 -0.233 18726 4039 1 6 . 1 1 50 50 LEU N N 50 116.176 116.176 116.508 -0.332 18726 4040 1 6 . 1 1 50 50 LEU HA H 50 4.178 4.178 4.428 -0.250 18726 4041 1 6 . 1 1 50 50 LEU CA C 50 54.961 54.961 53.768 1.193 18726 4042 1 6 . 1 1 50 50 LEU CB C 50 44.213 44.213 42.070 2.143 18726 4043 1 6 . 1 1 50 50 LEU H H 50 7.519 7.519 7.380 0.139 18726 4044 1 6 . 1 1 51 51 ARG N N 51 115.327 115.327 114.739 0.588 18726 4045 1 6 . 1 1 51 51 ARG HA H 51 3.920 3.920 3.899 0.021 18726 4046 1 6 . 1 1 51 51 ARG CA C 51 56.894 56.894 56.873 0.021 18726 4047 1 6 . 1 1 51 51 ARG CB C 51 27.559 27.559 26.978 0.581 18726 4048 1 6 . 1 1 51 51 ARG H H 51 7.782 7.782 7.414 0.368 18726 4049 1 6 . 1 1 52 52 ILE N N 52 118.612 118.612 118.101 0.511 18726 4050 1 6 . 1 1 52 52 ILE HA H 52 4.052 4.052 3.941 0.111 18726 4051 1 6 . 1 1 52 52 ILE CA C 52 59.465 59.465 60.156 -0.691 18726 4052 1 6 . 1 1 52 52 ILE CB C 52 36.778 36.778 37.388 -0.610 18726 4053 1 6 . 1 1 52 52 ILE H H 52 7.381 7.381 7.907 -0.526 18726 4054 1 6 . 1 1 53 53 ASN N N 53 124.728 124.728 124.906 -0.178 18726 4055 1 6 . 1 1 53 53 ASN HA H 53 4.435 4.435 4.487 -0.052 18726 4056 1 6 . 1 1 53 53 ASN CA C 53 54.219 54.219 53.773 0.446 18726 4057 1 6 . 1 1 53 53 ASN CB C 53 39.897 39.897 39.947 -0.050 18726 4058 1 6 . 1 1 53 53 ASN H H 53 8.503 8.503 8.681 -0.178 18726 4059 1 6 . 1 1 54 54 ALA HA H 54 4.064 4.064 4.050 0.014 18726 4060 1 6 . 1 1 54 54 ALA CA C 54 55.772 55.772 54.727 1.045 18726 4061 1 6 . 1 1 54 54 ALA CB C 54 18.926 18.926 19.047 -0.121 18726 4062 1 6 . 1 1 55 55 GLY N N 55 108.675 108.675 106.650 2.025 18726 4063 1 6 . 1 1 55 55 GLY CA C 55 47.165 47.165 47.162 0.003 18726 4064 1 6 . 1 1 55 55 GLY H H 55 8.479 8.479 8.816 -0.337 18726 4065 1 6 . 1 1 56 56 VAL N N 56 124.251 124.251 120.754 3.497 18726 4066 1 6 . 1 1 56 56 VAL HA H 56 3.687 3.687 3.898 -0.211 18726 4067 1 6 . 1 1 56 56 VAL CA C 56 66.160 66.160 63.961 2.199 18726 4068 1 6 . 1 1 56 56 VAL CB C 56 31.598 31.598 31.625 -0.028 18726 4069 1 6 . 1 1 56 56 VAL H H 56 8.035 8.035 7.562 0.473 18726 4070 1 6 . 1 1 57 57 SER N N 57 115.290 115.290 114.804 0.486 18726 4071 1 6 . 1 1 57 57 SER HA H 57 3.992 3.992 4.178 -0.186 18726 4072 1 6 . 1 1 57 57 SER CA C 57 62.881 62.881 61.666 1.216 18726 4073 1 6 . 1 1 57 57 SER CB C 57 62.733 62.733 62.724 0.009 18726 4074 1 6 . 1 1 57 57 SER H H 57 8.551 8.551 8.600 -0.049 18726 4075 1 6 . 1 1 58 58 SER N N 58 117.711 117.711 117.571 0.140 18726 4076 1 6 . 1 1 58 58 SER HA H 58 4.238 4.238 4.290 -0.052 18726 4077 1 6 . 1 1 58 58 SER CA C 58 61.656 61.656 62.133 -0.477 18726 4078 1 6 . 1 1 58 58 SER CB C 58 62.800 62.800 63.433 -0.633 18726 4079 1 6 . 1 1 58 58 SER H H 58 8.176 8.176 7.762 0.414 18726 4080 1 6 . 1 1 59 59 GLN N N 59 122.746 122.746 121.728 1.018 18726 4081 1 6 . 1 1 59 59 GLN HA H 59 4.046 4.046 4.116 -0.070 18726 4082 1 6 . 1 1 59 59 GLN CA C 59 59.249 59.249 58.371 0.878 18726 4083 1 6 . 1 1 59 59 GLN CB C 59 28.980 28.980 28.442 0.538 18726 4084 1 6 . 1 1 59 59 GLN H H 59 7.737 7.737 7.576 0.161 18726 4085 1 6 . 1 1 60 60 LEU N N 60 121.748 121.748 121.894 -0.146 18726 4086 1 6 . 1 1 60 60 LEU HA H 60 3.980 3.980 4.127 -0.147 18726 4087 1 6 . 1 1 60 60 LEU CA C 60 60.483 60.483 58.368 2.115 18726 4088 1 6 . 1 1 60 60 LEU CB C 60 43.378 43.378 42.242 1.136 18726 4089 1 6 . 1 1 60 60 LEU H H 60 8.804 8.804 8.259 0.545 18726 4090 1 6 . 1 1 61 61 THR N N 61 114.366 114.366 114.436 -0.070 18726 4091 1 6 . 1 1 61 61 THR HA H 61 3.675 3.675 3.991 -0.316 18726 4092 1 6 . 1 1 61 61 THR CA C 61 67.713 67.713 66.779 0.934 18726 4093 1 6 . 1 1 61 61 THR CB C 61 67.968 67.968 68.433 -0.465 18726 4094 1 6 . 1 1 61 61 THR H H 61 8.654 8.654 7.689 0.965 18726 4095 1 6 . 1 1 62 62 SER N N 62 119.141 119.141 119.033 0.108 18726 4096 1 6 . 1 1 62 62 SER HA H 62 4.232 4.232 4.285 -0.053 18726 4097 1 6 . 1 1 62 62 SER CA C 62 62.217 62.217 61.991 0.226 18726 4098 1 6 . 1 1 62 62 SER CB C 62 62.900 62.900 63.034 -0.134 18726 4099 1 6 . 1 1 62 62 SER H H 62 8.161 8.161 7.531 0.630 18726 4100 1 6 . 1 1 63 63 ALA N N 63 124.393 124.393 124.517 -0.124 18726 4101 1 6 . 1 1 63 63 ALA HA H 63 4.178 4.178 4.192 -0.014 18726 4102 1 6 . 1 1 63 63 ALA CA C 63 55.418 55.418 55.006 0.412 18726 4103 1 6 . 1 1 63 63 ALA CB C 63 19.066 19.066 18.290 0.776 18726 4104 1 6 . 1 1 63 63 ALA H H 63 7.921 7.921 8.190 -0.269 18726 4105 1 6 . 1 1 64 64 VAL N N 64 118.888 118.888 118.908 -0.020 18726 4106 1 6 . 1 1 64 64 VAL HA H 64 3.765 3.765 3.724 0.041 18726 4107 1 6 . 1 1 64 64 VAL CA C 64 66.419 66.419 65.908 0.511 18726 4108 1 6 . 1 1 64 64 VAL CB C 64 31.966 31.966 31.016 0.950 18726 4109 1 6 . 1 1 64 64 VAL H H 64 8.548 8.548 8.396 0.152 18726 4110 1 6 . 1 1 65 65 SER N N 65 115.469 115.469 114.585 0.884 18726 4111 1 6 . 1 1 65 65 SER HA H 65 3.920 3.920 4.103 -0.183 18726 4112 1 6 . 1 1 65 65 SER CA C 65 63.235 63.235 62.085 1.150 18726 4113 1 6 . 1 1 65 65 SER CB C 65 63.291 63.291 62.795 0.496 18726 4114 1 6 . 1 1 65 65 SER H H 65 8.360 8.360 8.030 0.330 18726 4115 1 6 . 1 1 66 66 GLN N N 66 118.918 118.918 122.893 -3.975 18726 4116 1 6 . 1 1 66 66 GLN HA H 66 3.938 3.938 4.087 -0.149 18726 4117 1 6 . 1 1 66 66 GLN CA C 66 58.844 58.844 58.645 0.200 18726 4118 1 6 . 1 1 66 66 GLN CB C 66 28.810 28.810 28.497 0.313 18726 4119 1 6 . 1 1 66 66 GLN H H 66 7.676 7.676 7.512 0.164 18726 4120 1 6 . 1 1 67 67 ALA N N 67 120.720 120.720 120.508 0.212 18726 4121 1 6 . 1 1 67 67 ALA HA H 67 4.154 4.154 4.110 0.044 18726 4122 1 6 . 1 1 67 67 ALA CA C 67 55.323 55.323 54.882 0.441 18726 4123 1 6 . 1 1 67 67 ALA CB C 67 19.483 19.483 18.802 0.681 18726 4124 1 6 . 1 1 67 67 ALA H H 67 7.390 7.390 7.828 -0.438 18726 4125 1 6 . 1 1 68 68 VAL N N 68 119.335 119.335 117.012 2.323 18726 4126 1 6 . 1 1 68 68 VAL HA H 68 3.447 3.447 3.705 -0.258 18726 4127 1 6 . 1 1 68 68 VAL CA C 68 66.591 66.591 65.227 1.364 18726 4128 1 6 . 1 1 68 68 VAL CB C 68 31.514 31.514 31.264 0.250 18726 4129 1 6 . 1 1 68 68 VAL H H 68 9.069 9.069 7.923 1.146 18726 4130 1 6 . 1 1 69 69 ALA N N 69 122.568 122.568 119.451 3.117 18726 4131 1 6 . 1 1 69 69 ALA HA H 69 3.962 3.962 4.291 -0.329 18726 4132 1 6 . 1 1 69 69 ALA CA C 69 54.512 54.512 53.575 0.937 18726 4133 1 6 . 1 1 69 69 ALA CB C 69 18.035 18.035 18.446 -0.411 18726 4134 1 6 . 1 1 69 69 ALA H H 69 8.370 8.370 7.824 0.546 18726 4135 1 6 . 1 1 70 70 ASN N N 70 113.242 113.242 116.422 -3.180 18726 4136 1 6 . 1 1 70 70 ASN HA H 70 4.651 4.651 4.718 -0.067 18726 4137 1 6 . 1 1 70 70 ASN CA C 70 52.994 52.994 54.331 -1.337 18726 4138 1 6 . 1 1 70 70 ASN CB C 70 39.897 39.897 39.763 0.134 18726 4139 1 6 . 1 1 70 70 ASN H H 70 6.987 6.987 7.561 -0.574 18726 4140 1 6 . 1 1 71 71 VAL N N 71 122.456 122.456 119.611 2.845 18726 4141 1 6 . 1 1 71 71 VAL HA H 71 3.591 3.591 3.735 -0.144 18726 4142 1 6 . 1 1 71 71 VAL CA C 71 63.037 63.037 63.222 -0.185 18726 4143 1 6 . 1 1 71 71 VAL CB C 71 31.598 31.598 32.112 -0.514 18726 4144 1 6 . 1 1 71 71 VAL H H 71 7.284 7.284 7.481 -0.197 18726 4145 1 6 . 1 1 72 72 ARG N N 72 108.757 108.757 116.439 -7.682 18726 4146 1 6 . 1 1 72 72 ARG HA H 72 4.387 4.387 4.058 0.329 18726 4147 1 6 . 1 1 72 72 ARG CA C 72 54.487 54.487 56.157 -1.670 18726 4148 1 6 . 1 1 72 72 ARG CB C 72 29.840 29.840 27.597 2.243 18726 4149 1 6 . 1 1 72 72 ARG H H 72 8.700 8.700 7.621 1.079 18726 4150 1 6 . 1 1 73 73 PRO HA H 73 4.399 4.399 4.628 -0.229 18726 4151 1 6 . 1 1 73 73 PRO CA C 73 64.339 64.339 63.344 0.995 18726 4152 1 6 . 1 1 73 73 PRO CB C 73 32.043 32.043 32.082 -0.039 18726 4153 1 6 . 1 1 74 74 GLY N N 74 111.647 111.647 108.772 2.875 18726 4154 1 6 . 1 1 74 74 GLY CA C 74 45.188 45.188 45.099 0.089 18726 4155 1 6 . 1 1 74 74 GLY H H 74 9.447 9.447 8.907 0.540 18726 4156 1 6 . 1 1 75 75 SER N N 75 116.057 116.057 115.889 0.168 18726 4157 1 6 . 1 1 75 75 SER HA H 75 4.477 4.477 4.707 -0.230 18726 4158 1 6 . 1 1 75 75 SER CA C 75 60.509 60.509 56.482 4.027 18726 4159 1 6 . 1 1 75 75 SER CB C 75 64.710 64.710 65.547 -0.837 18726 4160 1 6 . 1 1 75 75 SER H H 75 7.600 7.600 8.022 -0.422 18726 4161 1 6 . 1 1 76 76 SER N N 76 118.456 118.456 118.912 -0.456 18726 4162 1 6 . 1 1 76 76 SER HA H 76 4.693 4.693 4.519 0.174 18726 4163 1 6 . 1 1 76 76 SER CA C 76 57.247 57.247 57.540 -0.293 18726 4164 1 6 . 1 1 76 76 SER CB C 76 63.011 63.011 63.651 -0.640 18726 4165 1 6 . 1 1 76 76 SER H H 76 8.726 8.726 8.862 -0.136 18726 4166 1 6 . 1 1 77 77 PRO HA H 77 4.262 4.262 4.429 -0.167 18726 4167 1 6 . 1 1 77 77 PRO CA C 77 66.565 66.565 64.589 1.976 18726 4168 1 6 . 1 1 77 77 PRO CB C 77 32.350 32.350 31.902 0.448 18726 4169 1 6 . 1 1 78 78 ALA N N 78 117.189 117.189 121.412 -4.223 18726 4170 1 6 . 1 1 78 78 ALA HA H 78 4.513 4.513 4.267 0.246 18726 4171 1 6 . 1 1 78 78 ALA CA C 78 54.590 54.590 54.548 0.042 18726 4172 1 6 . 1 1 78 78 ALA CB C 78 18.982 18.982 18.599 0.383 18726 4173 1 6 . 1 1 78 78 ALA H H 78 8.085 8.085 8.324 -0.239 18726 4174 1 6 . 1 1 79 79 VAL N N 79 119.946 119.946 116.212 3.734 18726 4175 1 6 . 1 1 79 79 VAL HA H 79 3.609 3.609 3.762 -0.153 18726 4176 1 6 . 1 1 79 79 VAL CA C 79 66.307 66.307 65.434 0.873 18726 4177 1 6 . 1 1 79 79 VAL CB C 79 31.820 31.820 30.352 1.468 18726 4178 1 6 . 1 1 79 79 VAL H H 79 7.741 7.741 7.516 0.225 18726 4179 1 6 . 1 1 80 80 TYR N N 80 117.577 117.577 120.284 -2.707 18726 4180 1 6 . 1 1 80 80 TYR HA H 80 3.867 3.867 4.036 -0.169 18726 4181 1 6 . 1 1 80 80 TYR CA C 80 63.675 63.675 62.487 1.188 18726 4182 1 6 . 1 1 80 80 TYR CB C 80 39.924 39.924 37.783 2.141 18726 4183 1 6 . 1 1 80 80 TYR H H 80 7.207 7.207 7.511 -0.304 18726 4184 1 6 . 1 1 81 81 ALA N N 81 118.761 118.761 119.502 -0.741 18726 4185 1 6 . 1 1 81 81 ALA HA H 81 3.711 3.711 3.943 -0.232 18726 4186 1 6 . 1 1 81 81 ALA CA C 81 55.781 55.781 54.964 0.817 18726 4187 1 6 . 1 1 81 81 ALA CB C 81 20.792 20.792 18.313 2.479 18726 4188 1 6 . 1 1 81 81 ALA H H 81 8.962 8.962 8.024 0.938 18726 4189 1 6 . 1 1 82 82 LYS N N 82 117.778 117.778 119.474 -1.696 18726 4190 1 6 . 1 1 82 82 LYS HA H 82 3.807 3.807 4.065 -0.258 18726 4191 1 6 . 1 1 82 82 LYS CA C 82 60.155 60.155 59.114 1.042 18726 4192 1 6 . 1 1 82 82 LYS CB C 82 32.322 32.322 32.526 -0.204 18726 4193 1 6 . 1 1 82 82 LYS H H 82 7.727 7.727 7.642 0.085 18726 4194 1 6 . 1 1 83 83 ALA N N 83 120.810 120.810 120.647 0.163 18726 4195 1 6 . 1 1 83 83 ALA HA H 83 4.022 4.022 4.201 -0.179 18726 4196 1 6 . 1 1 83 83 ALA CA C 83 54.366 54.366 54.740 -0.374 18726 4197 1 6 . 1 1 83 83 ALA CB C 83 18.453 18.453 18.322 0.131 18726 4198 1 6 . 1 1 83 83 ALA H H 83 7.182 7.182 8.152 -0.970 18726 4199 1 6 . 1 1 84 84 ILE N N 84 109.964 109.964 114.265 -4.301 18726 4200 1 6 . 1 1 84 84 ILE HA H 84 3.861 3.861 4.011 -0.150 18726 4201 1 6 . 1 1 84 84 ILE CA C 84 63.373 63.373 61.970 1.403 18726 4202 1 6 . 1 1 84 84 ILE CB C 84 40.342 40.342 38.543 1.799 18726 4203 1 6 . 1 1 84 84 ILE H H 84 7.109 7.109 7.152 -0.043 18726 4204 1 6 . 1 1 85 85 ALA N N 85 120.162 120.162 121.045 -0.883 18726 4205 1 6 . 1 1 85 85 ALA HA H 85 3.777 3.777 4.347 -0.570 18726 4206 1 6 . 1 1 85 85 ALA CA C 85 55.789 55.789 54.017 1.772 18726 4207 1 6 . 1 1 85 85 ALA CB C 85 20.931 20.931 19.681 1.250 18726 4208 1 6 . 1 1 85 85 ALA H H 85 8.770 8.770 7.478 1.292 18726 4209 1 6 . 1 1 86 86 ALA N N 86 116.824 116.824 123.102 -6.278 18726 4210 1 6 . 1 1 86 86 ALA HA H 86 4.310 4.310 4.108 0.202 18726 4211 1 6 . 1 1 86 86 ALA CA C 86 56.756 56.756 56.723 0.033 18726 4212 1 6 . 1 1 86 86 ALA CB C 86 15.417 15.417 16.386 -0.969 18726 4213 1 6 . 1 1 86 86 ALA H H 86 8.513 8.513 8.612 -0.099 18726 4214 1 6 . 1 1 87 87 PRO HA H 87 4.405 4.405 4.354 0.051 18726 4215 1 6 . 1 1 87 87 PRO CA C 87 65.185 65.185 65.242 -0.057 18726 4216 1 6 . 1 1 87 87 PRO CB C 87 30.734 30.734 30.973 -0.239 18726 4217 1 6 . 1 1 88 88 SER N N 88 108.653 108.653 114.326 -5.673 18726 4218 1 6 . 1 1 88 88 SER HA H 88 3.861 3.861 4.278 -0.417 18726 4219 1 6 . 1 1 88 88 SER CA C 88 62.735 62.735 61.191 1.544 18726 4220 1 6 . 1 1 88 88 SER CB C 88 63.039 63.039 62.992 0.047 18726 4221 1 6 . 1 1 88 88 SER H H 88 6.474 6.474 7.718 -1.244 18726 4222 1 6 . 1 1 89 89 VAL N N 89 120.951 120.951 120.744 0.207 18726 4223 1 6 . 1 1 89 89 VAL HA H 89 3.226 3.226 3.775 -0.549 18726 4224 1 6 . 1 1 89 89 VAL CA C 89 67.644 67.644 65.763 1.881 18726 4225 1 6 . 1 1 89 89 VAL CB C 89 30.929 30.929 31.137 -0.208 18726 4226 1 6 . 1 1 89 89 VAL H H 89 8.220 8.220 8.515 -0.295 18726 4227 1 6 . 1 1 90 90 GLN N N 90 117.435 117.435 119.365 -1.930 18726 4228 1 6 . 1 1 90 90 GLN HA H 90 3.873 3.873 4.148 -0.275 18726 4229 1 6 . 1 1 90 90 GLN CA C 90 59.818 59.818 58.914 0.904 18726 4230 1 6 . 1 1 90 90 GLN CB C 90 28.256 28.256 28.501 -0.245 18726 4231 1 6 . 1 1 90 90 GLN H H 90 7.922 7.922 8.124 -0.202 18726 4232 1 6 . 1 1 91 91 ILE N N 91 117.875 117.875 120.012 -2.137 18726 4233 1 6 . 1 1 91 91 ILE HA H 91 4.052 4.052 3.896 0.156 18726 4234 1 6 . 1 1 91 91 ILE CA C 91 63.201 63.201 64.075 -0.874 18726 4235 1 6 . 1 1 91 91 ILE CB C 91 37.613 37.613 38.415 -0.802 18726 4236 1 6 . 1 1 91 91 ILE H H 91 7.532 7.532 7.333 0.199 18726 4237 1 6 . 1 1 92 92 LEU N N 92 123.357 123.357 120.534 2.823 18726 4238 1 6 . 1 1 92 92 LEU HA H 92 3.807 3.807 4.019 -0.212 18726 4239 1 6 . 1 1 92 92 LEU CA C 92 59.171 59.171 58.382 0.789 18726 4240 1 6 . 1 1 92 92 LEU CB C 92 41.205 41.205 41.947 -0.742 18726 4241 1 6 . 1 1 92 92 LEU H H 92 8.481 8.481 8.270 0.211 18726 4242 1 6 . 1 1 93 93 VAL N N 93 118.180 118.180 118.511 -0.331 18726 4243 1 6 . 1 1 93 93 VAL HA H 93 3.873 3.873 3.842 0.031 18726 4244 1 6 . 1 1 93 93 VAL CA C 93 66.496 66.496 64.768 1.728 18726 4245 1 6 . 1 1 93 93 VAL CB C 93 31.765 31.765 31.937 -0.172 18726 4246 1 6 . 1 1 93 93 VAL H H 93 8.777 8.777 8.386 0.391 18726 4247 1 6 . 1 1 94 94 SER N N 94 118.471 118.471 113.873 4.598 18726 4248 1 6 . 1 1 94 94 SER HA H 94 4.226 4.226 4.401 -0.175 18726 4249 1 6 . 1 1 94 94 SER CA C 94 62.390 62.390 60.754 1.636 18726 4250 1 6 . 1 1 94 94 SER CB C 94 62.733 62.733 63.157 -0.424 18726 4251 1 6 . 1 1 94 94 SER H H 94 8.660 8.660 7.667 0.993 18726 4252 1 6 . 1 1 95 95 SER N N 95 112.698 112.698 114.400 -1.702 18726 4253 1 6 . 1 1 95 95 SER HA H 95 4.441 4.441 4.620 -0.179 18726 4254 1 6 . 1 1 95 95 SER CA C 95 59.301 59.301 58.317 0.984 18726 4255 1 6 . 1 1 95 95 SER CB C 95 65.935 65.935 63.878 2.057 18726 4256 1 6 . 1 1 95 95 SER H H 95 8.048 8.048 7.637 0.411 18726 4257 1 6 . 1 1 96 96 GLY N N 96 110.277 110.277 109.456 0.821 18726 4258 1 6 . 1 1 96 96 GLY CA C 96 45.968 45.968 45.786 0.181 18726 4259 1 6 . 1 1 96 96 GLY H H 96 7.955 7.955 7.405 0.550 18726 4260 1 6 . 1 1 97 97 SER N N 97 115.595 115.595 115.185 0.410 18726 4261 1 6 . 1 1 97 97 SER HA H 97 4.292 4.292 4.235 0.057 18726 4262 1 6 . 1 1 97 97 SER CA C 97 61.535 61.535 60.296 1.239 18726 4263 1 6 . 1 1 97 97 SER CB C 97 64.042 64.042 63.703 0.339 18726 4264 1 6 . 1 1 97 97 SER H H 97 8.216 8.216 8.055 0.161 18726 4265 1 6 . 1 1 98 98 VAL N N 98 116.579 116.579 115.610 0.969 18726 4266 1 6 . 1 1 98 98 VAL HA H 98 4.884 4.884 4.398 0.486 18726 4267 1 6 . 1 1 98 98 VAL CA C 98 59.111 59.111 60.091 -0.980 18726 4268 1 6 . 1 1 98 98 VAL CB C 98 35.051 35.051 33.628 1.423 18726 4269 1 6 . 1 1 98 98 VAL H H 98 7.288 7.288 7.429 -0.141 18726 4270 1 6 . 1 1 99 99 ASN N N 99 123.722 123.722 123.656 0.066 18726 4271 1 6 . 1 1 99 99 ASN HA H 99 4.627 4.627 4.746 -0.119 18726 4272 1 6 . 1 1 99 99 ASN CA C 99 51.838 51.838 52.102 -0.264 18726 4273 1 6 . 1 1 99 99 ASN CB C 99 40.676 40.676 40.606 0.070 18726 4274 1 6 . 1 1 99 99 ASN H H 99 9.179 9.179 8.484 0.695 18726 4275 1 6 . 1 1 100 100 ASN N N 100 115.148 115.148 117.716 -2.568 18726 4276 1 6 . 1 1 100 100 ASN HA H 100 4.292 4.292 4.586 -0.294 18726 4277 1 6 . 1 1 100 100 ASN CA C 100 56.894 56.894 53.261 3.633 18726 4278 1 6 . 1 1 100 100 ASN CB C 100 38.281 38.281 36.319 1.962 18726 4279 1 6 . 1 1 100 100 ASN H H 100 8.667 8.667 8.688 -0.021 18726 4280 1 6 . 1 1 101 101 ASN N N 101 115.201 115.201 117.288 -2.087 18726 4281 1 6 . 1 1 101 101 ASN HA H 101 4.711 4.711 4.703 0.008 18726 4282 1 6 . 1 1 101 101 ASN CA C 101 55.306 55.306 54.356 0.950 18726 4283 1 6 . 1 1 101 101 ASN CB C 101 39.256 39.256 40.191 -0.934 18726 4284 1 6 . 1 1 101 101 ASN H H 101 8.471 8.471 8.220 0.251 18726 4285 1 6 . 1 1 102 102 ASN N N 102 116.780 116.780 117.566 -0.786 18726 4286 1 6 . 1 1 102 102 ASN HA H 102 5.124 5.124 4.911 0.213 18726 4287 1 6 . 1 1 102 102 ASN CA C 102 51.950 51.950 53.301 -1.351 18726 4288 1 6 . 1 1 102 102 ASN CB C 102 39.089 39.089 40.022 -0.932 18726 4289 1 6 . 1 1 102 102 ASN H H 102 7.854 7.854 7.982 -0.128 18726 4290 1 6 . 1 1 103 103 ALA N N 103 121.808 121.808 124.323 -2.515 18726 4291 1 6 . 1 1 103 103 ALA HA H 103 3.747 3.747 3.904 -0.157 18726 4292 1 6 . 1 1 103 103 ALA CA C 103 57.058 57.058 55.983 1.075 18726 4293 1 6 . 1 1 103 103 ALA CB C 103 19.511 19.511 18.595 0.916 18726 4294 1 6 . 1 1 103 103 ALA H H 103 7.447 7.447 7.891 -0.444 18726 4295 1 6 . 1 1 104 104 LYS N N 104 114.873 114.873 117.558 -2.685 18726 4296 1 6 . 1 1 104 104 LYS HA H 104 3.992 3.992 4.239 -0.247 18726 4297 1 6 . 1 1 104 104 LYS CA C 104 60.284 60.284 59.383 0.901 18726 4298 1 6 . 1 1 104 104 LYS CB C 104 32.322 32.322 31.833 0.489 18726 4299 1 6 . 1 1 104 104 LYS H H 104 8.344 8.344 8.373 -0.029 18726 4300 1 6 . 1 1 105 105 GLN N N 105 120.720 120.720 119.742 0.978 18726 4301 1 6 . 1 1 105 105 GLN HA H 105 4.094 4.094 4.124 -0.030 18726 4302 1 6 . 1 1 105 105 GLN CA C 105 59.137 59.137 59.599 -0.461 18726 4303 1 6 . 1 1 105 105 GLN CB C 105 28.339 28.339 28.655 -0.316 18726 4304 1 6 . 1 1 105 105 GLN H H 105 7.892 7.892 7.404 0.488 18726 4305 1 6 . 1 1 106 106 VAL N N 106 120.556 120.556 120.315 0.241 18726 4306 1 6 . 1 1 106 106 VAL HA H 106 3.567 3.567 3.625 -0.058 18726 4307 1 6 . 1 1 106 106 VAL CA C 106 66.496 66.496 65.810 0.686 18726 4308 1 6 . 1 1 106 106 VAL CB C 106 31.848 31.848 31.666 0.182 18726 4309 1 6 . 1 1 106 106 VAL H H 106 8.693 8.693 8.856 -0.163 18726 4310 1 6 . 1 1 107 107 ALA N N 107 119.655 119.655 121.834 -2.179 18726 4311 1 6 . 1 1 107 107 ALA HA H 107 3.813 3.813 3.970 -0.157 18726 4312 1 6 . 1 1 107 107 ALA CA C 107 55.884 55.884 55.264 0.620 18726 4313 1 6 . 1 1 107 107 ALA CB C 107 18.174 18.174 18.157 0.017 18726 4314 1 6 . 1 1 107 107 ALA H H 107 8.750 8.750 8.182 0.568 18726 4315 1 6 . 1 1 108 108 SER N N 108 115.469 115.469 113.811 1.658 18726 4316 1 6 . 1 1 108 108 SER HA H 108 4.304 4.304 4.191 0.113 18726 4317 1 6 . 1 1 108 108 SER CA C 108 61.950 61.950 61.166 0.784 18726 4318 1 6 . 1 1 108 108 SER CB C 108 63.290 63.290 63.293 -0.003 18726 4319 1 6 . 1 1 108 108 SER H H 108 8.162 8.162 7.751 0.411 18726 4320 1 6 . 1 1 109 109 THR N N 109 119.201 119.201 120.205 -1.004 18726 4321 1 6 . 1 1 109 109 THR HA H 109 4.052 4.052 4.053 -0.001 18726 4322 1 6 . 1 1 109 109 THR CA C 109 67.195 67.195 66.570 0.625 18726 4323 1 6 . 1 1 109 109 THR CB C 109 68.832 68.832 68.927 -0.095 18726 4324 1 6 . 1 1 109 109 THR H H 109 8.218 8.218 8.089 0.129 18726 4325 1 6 . 1 1 110 110 LEU N N 110 122.329 122.329 122.822 -0.493 18726 4326 1 6 . 1 1 110 110 LEU HA H 110 3.920 3.920 3.931 -0.011 18726 4327 1 6 . 1 1 110 110 LEU CA C 110 59.025 59.025 58.948 0.077 18726 4328 1 6 . 1 1 110 110 LEU CB C 110 43.211 43.211 41.910 1.301 18726 4329 1 6 . 1 1 110 110 LEU H H 110 9.083 9.083 8.599 0.484 18726 4330 1 6 . 1 1 111 111 SER N N 111 113.018 113.018 114.559 -1.541 18726 4331 1 6 . 1 1 111 111 SER HA H 111 3.747 3.747 4.085 -0.338 18726 4332 1 6 . 1 1 111 111 SER CA C 111 63.848 63.848 62.721 1.127 18726 4333 1 6 . 1 1 111 111 SER CB C 111 63.958 63.958 62.652 1.306 18726 4334 1 6 . 1 1 111 111 SER H H 111 8.052 8.052 7.899 0.153 18726 4335 1 6 . 1 1 112 112 GLU N N 112 122.329 122.329 122.951 -0.622 18726 4336 1 6 . 1 1 112 112 GLU HA H 112 3.741 3.741 3.932 -0.191 18726 4337 1 6 . 1 1 112 112 GLU CA C 112 60.431 60.431 59.581 0.850 18726 4338 1 6 . 1 1 112 112 GLU CB C 112 29.199 29.199 29.492 -0.293 18726 4339 1 6 . 1 1 112 112 GLU H H 112 8.358 8.358 8.165 0.193 18726 4340 1 6 . 1 1 113 113 ASN N N 113 113.629 113.629 118.065 -4.436 18726 4341 1 6 . 1 1 113 113 ASN HA H 113 4.375 4.375 4.542 -0.167 18726 4342 1 6 . 1 1 113 113 ASN CA C 113 57.523 57.523 56.488 1.035 18726 4343 1 6 . 1 1 113 113 ASN CB C 113 40.788 40.788 39.163 1.625 18726 4344 1 6 . 1 1 113 113 ASN H H 113 7.265 7.265 8.478 -1.213 18726 4345 1 6 . 1 1 114 114 LEU N N 114 118.054 118.054 123.064 -5.010 18726 4346 1 6 . 1 1 114 114 LEU HA H 114 3.944 3.944 4.140 -0.196 18726 4347 1 6 . 1 1 114 114 LEU CA C 114 58.619 58.619 58.335 0.284 18726 4348 1 6 . 1 1 114 114 LEU CB C 114 43.489 43.489 42.193 1.296 18726 4349 1 6 . 1 1 114 114 LEU H H 114 8.417 8.417 8.471 -0.054 18726 4350 1 6 . 1 1 115 115 VAL N N 115 115.990 115.990 118.778 -2.788 18726 4351 1 6 . 1 1 115 115 VAL HA H 115 3.561 3.561 3.596 -0.035 18726 4352 1 6 . 1 1 115 115 VAL CA C 115 67.730 67.730 66.114 1.616 18726 4353 1 6 . 1 1 115 115 VAL CB C 115 31.820 31.820 31.775 0.045 18726 4354 1 6 . 1 1 115 115 VAL H H 115 8.051 8.051 8.643 -0.592 18726 4355 1 6 . 1 1 116 116 ARG N N 116 116.541 116.541 119.912 -3.371 18726 4356 1 6 . 1 1 116 116 ARG HA H 116 3.771 3.771 3.964 -0.193 18726 4357 1 6 . 1 1 116 116 ARG CA C 116 60.552 60.552 59.683 0.869 18726 4358 1 6 . 1 1 116 116 ARG CB C 116 30.790 30.790 30.031 0.759 18726 4359 1 6 . 1 1 116 116 ARG H H 116 7.799 7.799 7.569 0.230 18726 4360 1 6 . 1 1 117 117 GLU N N 117 116.013 116.013 119.594 -3.581 18726 4361 1 6 . 1 1 117 117 GLU HA H 117 4.627 4.627 4.159 0.468 18726 4362 1 6 . 1 1 117 117 GLU CA C 117 57.593 57.593 58.949 -1.356 18726 4363 1 6 . 1 1 117 117 GLU CB C 117 28.952 28.952 29.195 -0.242 18726 4364 1 6 . 1 1 117 117 GLU H H 117 8.089 8.089 7.986 0.103 18726 4365 1 6 . 1 1 118 118 MET N N 118 120.497 120.497 119.880 0.617 18726 4366 1 6 . 1 1 118 118 MET HA H 118 4.046 4.046 4.316 -0.270 18726 4367 1 6 . 1 1 118 118 MET CA C 118 60.845 60.845 59.670 1.175 18726 4368 1 6 . 1 1 118 118 MET CB C 118 34.132 34.132 32.600 1.532 18726 4369 1 6 . 1 1 118 118 MET H H 118 8.751 8.751 8.698 0.053 18726 4370 1 6 . 1 1 119 119 ALA N N 119 119.171 119.171 120.853 -1.682 18726 4371 1 6 . 1 1 119 119 ALA HA H 119 3.819 3.819 4.023 -0.204 18726 4372 1 6 . 1 1 119 119 ALA CA C 119 55.979 55.979 55.273 0.706 18726 4373 1 6 . 1 1 119 119 ALA CB C 119 18.954 18.954 18.293 0.661 18726 4374 1 6 . 1 1 119 119 ALA H H 119 7.903 7.903 8.380 -0.477 18726 4375 1 6 . 1 1 120 120 ASN N N 120 115.223 115.223 116.261 -1.038 18726 4376 1 6 . 1 1 120 120 ASN HA H 120 4.465 4.465 4.526 -0.061 18726 4377 1 6 . 1 1 120 120 ASN CA C 120 56.480 56.480 55.901 0.579 18726 4378 1 6 . 1 1 120 120 ASN CB C 120 38.922 38.922 38.472 0.450 18726 4379 1 6 . 1 1 120 120 ASN H H 120 7.687 7.687 7.978 -0.291 18726 4380 1 6 . 1 1 121 121 THR N N 121 117.264 117.264 116.343 0.921 18726 4381 1 6 . 1 1 121 121 THR HA H 121 3.956 3.956 4.301 -0.345 18726 4382 1 6 . 1 1 121 121 THR CA C 121 67.074 67.074 66.139 0.935 18726 4383 1 6 . 1 1 121 121 THR CB C 121 68.247 68.247 68.978 -0.731 18726 4384 1 6 . 1 1 121 121 THR H H 121 8.726 8.726 7.968 0.758 18726 4385 1 6 . 1 1 122 122 ALA N N 122 123.581 123.581 125.234 -1.653 18726 4386 1 6 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.272 -0.316 18726 4387 1 6 . 1 1 122 122 ALA CA C 122 55.824 55.824 55.067 0.757 18726 4388 1 6 . 1 1 122 122 ALA CB C 122 16.782 16.782 18.314 -1.532 18726 4389 1 6 . 1 1 122 122 ALA H H 122 8.955 8.955 8.724 0.231 18726 4390 1 6 . 1 1 123 123 ARG N N 123 116.698 116.698 117.075 -0.377 18726 4391 1 6 . 1 1 123 123 ARG HA H 123 4.190 4.190 4.107 0.083 18726 4392 1 6 . 1 1 123 123 ARG CA C 123 59.732 59.732 58.863 0.869 18726 4393 1 6 . 1 1 123 123 ARG CB C 123 30.233 30.233 29.746 0.487 18726 4394 1 6 . 1 1 123 123 ARG H H 123 7.439 7.439 8.026 -0.587 18726 4395 1 6 . 1 1 124 124 ARG N N 124 119.231 119.231 118.695 0.536 18726 4396 1 6 . 1 1 124 124 ARG HA H 124 4.082 4.082 4.121 -0.039 18726 4397 1 6 . 1 1 124 124 ARG CA C 124 58.240 58.240 57.903 0.337 18726 4398 1 6 . 1 1 124 124 ARG CB C 124 29.314 29.314 29.936 -0.622 18726 4399 1 6 . 1 1 124 124 ARG H H 124 7.669 7.669 7.735 -0.066 18726 4400 1 6 . 1 1 125 125 TYR N N 125 118.650 118.650 117.519 1.131 18726 4401 1 6 . 1 1 125 125 TYR HA H 125 4.567 4.567 4.616 -0.049 18726 4402 1 6 . 1 1 125 125 TYR CA C 125 57.748 57.748 57.441 0.307 18726 4403 1 6 . 1 1 125 125 TYR CB C 125 38.059 38.059 37.494 0.565 18726 4404 1 6 . 1 1 125 125 TYR H H 125 7.606 7.606 7.677 -0.071 18726 4405 1 6 . 1 1 126 126 ARG N N 126 110.322 110.322 118.076 -7.754 18726 4406 1 6 . 1 1 126 126 ARG HA H 126 3.789 3.789 4.081 -0.292 18726 4407 1 6 . 1 1 126 126 ARG CA C 126 57.860 57.860 57.152 0.708 18726 4408 1 6 . 1 1 126 126 ARG CB C 126 27.866 27.866 28.248 -0.382 18726 4409 1 6 . 1 1 126 126 ARG H H 126 7.657 7.657 7.701 -0.044 18726 4410 1 6 . 1 1 127 127 VAL N N 127 120.877 120.877 114.722 6.155 18726 4411 1 6 . 1 1 127 127 VAL HA H 127 4.004 4.004 4.188 -0.184 18726 4412 1 6 . 1 1 127 127 VAL CA C 127 62.105 62.105 61.292 0.812 18726 4413 1 6 . 1 1 127 127 VAL CB C 127 31.681 31.681 32.265 -0.584 18726 4414 1 6 . 1 1 127 127 VAL H H 127 7.601 7.601 7.729 -0.128 18726 4415 1 6 . 1 1 128 128 ASN N N 128 125.726 125.726 118.443 7.283 18726 4416 1 6 . 1 1 128 128 ASN HA H 128 4.663 4.663 4.351 0.312 18726 4417 1 6 . 1 1 128 128 ASN CA C 128 52.787 52.787 54.131 -1.344 18726 4418 1 6 . 1 1 128 128 ASN CB C 128 39.476 39.476 38.455 1.022 18726 4419 1 6 . 1 1 128 128 ASN H H 128 8.604 8.604 7.758 0.846 18726 4420 1 6 . 1 1 129 129 VAL N N 129 126.963 126.963 122.134 4.829 18726 4421 1 6 . 1 1 129 129 VAL HA H 129 4.286 4.286 4.418 -0.132 18726 4422 1 6 . 1 1 129 129 VAL CA C 129 59.637 59.637 58.825 0.812 18726 4423 1 6 . 1 1 129 129 VAL CB C 129 33.101 33.101 32.095 1.006 18726 4424 1 6 . 1 1 129 129 VAL H H 129 8.223 8.223 8.253 -0.030 18726 4425 1 6 . 1 1 130 130 PRO HA H 130 4.435 4.435 4.573 -0.138 18726 4426 1 6 . 1 1 130 130 PRO CA C 130 63.045 63.045 62.073 0.972 18726 4427 1 6 . 1 1 130 130 PRO CB C 130 32.795 32.795 33.041 -0.246 18726 4428 1 6 . 1 1 131 131 GLU N N 131 125.786 125.786 122.906 2.880 18726 4429 1 6 . 1 1 131 131 GLU HA H 131 3.944 3.944 3.916 0.028 18726 4430 1 6 . 1 1 131 131 GLU CA C 131 60.431 60.431 60.166 0.265 18726 4431 1 6 . 1 1 131 131 GLU CB C 131 29.147 29.147 29.225 -0.078 18726 4432 1 6 . 1 1 131 131 GLU H H 131 9.135 9.135 8.934 0.201 18726 4433 1 6 . 1 1 132 132 ALA N N 132 119.640 119.640 120.211 -0.571 18726 4434 1 6 . 1 1 132 132 ALA HA H 132 4.183 4.183 4.153 0.030 18726 4435 1 6 . 1 1 132 132 ALA CA C 132 55.341 55.341 54.605 0.736 18726 4436 1 6 . 1 1 132 132 ALA CB C 132 18.314 18.314 18.198 0.116 18726 4437 1 6 . 1 1 132 132 ALA H H 132 9.105 9.105 8.273 0.832 18726 4438 1 6 . 1 1 133 133 SER N N 133 114.523 114.523 112.572 1.951 18726 4439 1 6 . 1 1 133 133 SER HA H 133 4.328 4.328 4.372 -0.044 18726 4440 1 6 . 1 1 133 133 SER CA C 133 61.673 61.673 60.086 1.587 18726 4441 1 6 . 1 1 133 133 SER CB C 133 62.621 62.621 63.981 -1.360 18726 4442 1 6 . 1 1 133 133 SER H H 133 7.417 7.417 7.921 -0.504 18726 4443 1 6 . 1 1 134 134 VAL N N 134 124.609 124.609 122.224 2.385 18726 4444 1 6 . 1 1 134 134 VAL HA H 134 3.495 3.495 3.714 -0.219 18726 4445 1 6 . 1 1 134 134 VAL CA C 134 66.867 66.867 65.736 1.131 18726 4446 1 6 . 1 1 134 134 VAL CB C 134 31.514 31.514 31.178 0.336 18726 4447 1 6 . 1 1 134 134 VAL H H 134 7.731 7.731 7.790 -0.059 18726 4448 1 6 . 1 1 135 135 GLN N N 135 118.590 118.590 119.765 -1.175 18726 4449 1 6 . 1 1 135 135 GLN HA H 135 3.932 3.932 4.004 -0.072 18726 4450 1 6 . 1 1 135 135 GLN CA C 135 59.154 59.154 59.115 0.039 18726 4451 1 6 . 1 1 135 135 GLN CB C 135 27.810 27.810 27.239 0.571 18726 4452 1 6 . 1 1 135 135 GLN H H 135 8.247 8.247 8.503 -0.256 18726 4453 1 6 . 1 1 136 136 ALA N N 136 121.867 121.867 120.710 1.157 18726 4454 1 6 . 1 1 136 136 ALA HA H 136 4.184 4.184 4.076 0.108 18726 4455 1 6 . 1 1 136 136 ALA CA C 136 55.229 55.229 54.663 0.566 18726 4456 1 6 . 1 1 136 136 ALA CB C 136 17.924 17.924 17.818 0.106 18726 4457 1 6 . 1 1 136 136 ALA H H 136 7.617 7.617 7.661 -0.044 18726 4458 1 6 . 1 1 137 137 ASP N N 137 121.450 121.450 118.836 2.614 18726 4459 1 6 . 1 1 137 137 ASP HA H 137 4.423 4.423 4.445 -0.022 18726 4460 1 6 . 1 1 137 137 ASP CA C 137 57.480 57.480 56.929 0.551 18726 4461 1 6 . 1 1 137 137 ASP CB C 137 41.735 41.735 40.311 1.424 18726 4462 1 6 . 1 1 137 137 ASP H H 137 8.097 8.097 7.431 0.666 18726 4463 1 6 . 1 1 138 138 VAL N N 138 121.018 121.018 119.354 1.664 18726 4464 1 6 . 1 1 138 138 VAL HA H 138 3.543 3.543 3.708 -0.165 18726 4465 1 6 . 1 1 138 138 VAL CA C 138 67.644 67.644 66.669 0.975 18726 4466 1 6 . 1 1 138 138 VAL CB C 138 31.625 31.625 31.244 0.381 18726 4467 1 6 . 1 1 138 138 VAL H H 138 8.630 8.630 8.247 0.383 18726 4468 1 6 . 1 1 139 139 SER N N 139 117.279 117.279 116.720 0.559 18726 4469 1 6 . 1 1 139 139 SER HA H 139 4.087 4.087 4.360 -0.273 18726 4470 1 6 . 1 1 139 139 SER CA C 139 62.191 62.191 61.797 0.394 18726 4471 1 6 . 1 1 139 139 SER CB C 139 62.996 62.996 63.242 -0.246 18726 4472 1 6 . 1 1 139 139 SER H H 139 8.146 8.146 8.069 0.077 18726 4473 1 6 . 1 1 140 140 LEU N N 140 123.402 123.402 123.155 0.247 18726 4474 1 6 . 1 1 140 140 LEU HA H 140 4.184 4.184 4.222 -0.038 18726 4475 1 6 . 1 1 140 140 LEU CA C 140 59.025 59.025 57.865 1.160 18726 4476 1 6 . 1 1 140 140 LEU CB C 140 42.459 42.459 42.139 0.320 18726 4477 1 6 . 1 1 140 140 LEU H H 140 8.283 8.283 7.676 0.607 18726 4478 1 6 . 1 1 141 141 VAL N N 141 112.944 112.944 115.945 -3.001 18726 4479 1 6 . 1 1 141 141 VAL HA H 141 3.956 3.956 3.678 0.278 18726 4480 1 6 . 1 1 141 141 VAL CA C 141 66.169 66.169 66.221 -0.052 18726 4481 1 6 . 1 1 141 141 VAL CB C 141 30.762 30.762 30.598 0.164 18726 4482 1 6 . 1 1 141 141 VAL H H 141 8.969 8.969 8.163 0.806 18726 4483 1 6 . 1 1 142 142 THR N N 142 114.612 114.612 114.206 0.406 18726 4484 1 6 . 1 1 142 142 THR HA H 142 4.160 4.160 4.178 -0.018 18726 4485 1 6 . 1 1 142 142 THR CA C 142 65.668 65.668 66.294 -0.626 18726 4486 1 6 . 1 1 142 142 THR CB C 142 68.804 68.804 68.424 0.380 18726 4487 1 6 . 1 1 142 142 THR H H 142 8.134 8.134 8.185 -0.051 18726 4488 1 6 . 1 1 143 143 SER N N 143 120.124 120.124 118.426 1.698 18726 4489 1 6 . 1 1 143 143 SER HA H 143 4.292 4.292 4.230 0.062 18726 4490 1 6 . 1 1 143 143 SER CA C 143 62.079 62.079 62.256 -0.177 18726 4491 1 6 . 1 1 143 143 SER CB C 143 62.928 62.928 62.819 0.109 18726 4492 1 6 . 1 1 143 143 SER H H 143 8.014 8.014 8.044 -0.030 18726 4493 1 6 . 1 1 144 144 MET N N 144 119.335 119.335 118.722 0.613 18726 4494 1 6 . 1 1 144 144 MET HA H 144 4.226 4.226 4.289 -0.063 18726 4495 1 6 . 1 1 144 144 MET CA C 144 59.189 59.189 58.481 0.708 18726 4496 1 6 . 1 1 144 144 MET CB C 144 33.826 33.826 32.626 1.200 18726 4497 1 6 . 1 1 144 144 MET H H 144 8.172 8.172 7.773 0.399 18726 4498 1 6 . 1 1 145 145 THR N N 145 107.737 107.737 114.623 -6.886 18726 4499 1 6 . 1 1 145 145 THR HA H 145 4.052 4.052 4.076 -0.024 18726 4500 1 6 . 1 1 145 145 THR CA C 145 64.659 64.659 65.162 -0.503 18726 4501 1 6 . 1 1 145 145 THR CB C 145 69.138 69.138 68.517 0.621 18726 4502 1 6 . 1 1 145 145 THR H H 145 7.985 7.985 7.661 0.324 18726 4503 1 6 . 1 1 146 146 SER N N 146 113.986 113.986 118.857 -4.871 18726 4504 1 6 . 1 1 146 146 SER HA H 146 4.393 4.393 4.220 0.173 18726 4505 1 6 . 1 1 146 146 SER CA C 146 60.975 60.975 61.263 -0.288 18726 4506 1 6 . 1 1 146 146 SER CB C 146 63.847 63.847 63.421 0.426 18726 4507 1 6 . 1 1 146 146 SER H H 146 7.802 7.802 8.329 -0.527 18726 4508 1 6 . 1 1 147 147 THR N N 147 109.308 109.308 112.580 -3.272 18726 4509 1 6 . 1 1 147 147 THR HA H 147 4.405 4.405 4.530 -0.125 18726 4510 1 6 . 1 1 147 147 THR CA C 147 61.259 61.259 60.905 0.354 18726 4511 1 6 . 1 1 147 147 THR CB C 147 69.556 69.556 69.038 0.518 18726 4512 1 6 . 1 1 147 147 THR H H 147 7.206 7.206 7.641 -0.435 18726 4513 1 6 . 1 1 148 148 PHE N N 148 122.746 122.746 123.923 -1.177 18726 4514 1 6 . 1 1 148 148 PHE HA H 148 4.441 4.441 4.765 -0.324 18726 4515 1 6 . 1 1 148 148 PHE CA C 148 58.913 58.913 57.032 1.881 18726 4516 1 6 . 1 1 148 148 PHE CB C 148 39.952 39.952 40.679 -0.727 18726 4517 1 6 . 1 1 148 148 PHE H H 148 7.299 7.299 7.894 -0.595 18726 4518 1 6 . 1 1 149 149 VAL N N 149 124.892 124.892 127.822 -2.930 18726 4519 1 6 . 1 1 149 149 VAL HA H 149 3.938 3.938 3.964 -0.026 18726 4520 1 6 . 1 1 149 149 VAL CA C 149 61.233 61.233 60.072 1.161 18726 4521 1 6 . 1 1 149 149 VAL CB C 149 34.410 34.410 34.807 -0.397 18726 4522 1 6 . 1 1 149 149 VAL H H 149 7.759 7.759 8.229 -0.470 18726 4523 1 6 . 1 1 150 150 ILE N N 150 124.892 124.892 126.179 -1.287 18726 4524 1 6 . 1 1 150 150 ILE HA H 150 4.015 4.015 4.001 0.014 18726 4525 1 6 . 1 1 150 150 ILE CA C 150 60.655 60.655 60.179 0.476 18726 4526 1 6 . 1 1 150 150 ILE CB C 150 38.755 38.755 36.488 2.267 18726 4527 1 6 . 1 1 150 150 ILE H H 150 8.120 8.120 8.201 -0.081 18726 4528 1 6 . 1 1 151 151 SER N N 151 121.942 121.942 124.245 -2.303 18726 4529 1 6 . 1 1 151 151 SER HA H 151 4.483 4.483 4.455 0.028 18726 4530 1 6 . 1 1 151 151 SER CA C 151 58.136 58.136 57.932 0.204 18726 4531 1 6 . 1 1 151 151 SER CB C 151 64.264 64.264 62.163 2.100 18726 4532 1 6 . 1 1 151 151 SER H H 151 8.746 8.746 9.222 -0.476 18726 4533 1 6 . 1 1 152 152 SER HA H 152 4.453 4.453 4.680 -0.227 18726 4534 1 6 . 1 1 152 152 SER CA C 152 58.481 58.481 56.222 2.259 18726 4535 1 6 . 1 1 152 152 SER CB C 152 64.188 64.188 64.645 -0.457 18726 4536 1 6 . 1 1 153 153 GLN N N 153 122.081 122.081 122.016 0.065 18726 4537 1 6 . 1 1 153 153 GLN HA H 153 4.325 4.325 4.365 -0.040 18726 4538 1 6 . 1 1 153 153 GLN CA C 153 56.104 56.104 57.529 -1.425 18726 4539 1 6 . 1 1 153 153 GLN CB C 153 29.322 29.322 28.905 0.417 18726 4540 1 6 . 1 1 153 153 GLN H H 153 8.404 8.404 8.668 -0.264 18726 4541 1 6 . 1 1 154 154 THR HA H 154 4.345 4.345 4.080 0.265 18726 4542 1 6 . 1 1 154 154 THR CA C 154 62.036 62.036 62.772 -0.736 18726 4543 1 6 . 1 1 154 154 THR CB C 154 69.806 69.806 68.486 1.320 18726 4544 1 6 . 1 1 155 155 SER N N 155 118.158 118.158 118.855 -0.697 18726 4545 1 6 . 1 1 155 155 SER HA H 155 4.465 4.465 4.578 -0.113 18726 4546 1 6 . 1 1 155 155 SER CA C 155 58.447 58.447 58.217 0.230 18726 4547 1 6 . 1 1 155 155 SER CB C 155 64.069 64.069 63.465 0.604 18726 4548 1 6 . 1 1 155 155 SER H H 155 8.275 8.275 8.386 -0.111 18726 4549 1 6 . 1 1 156 156 VAL N N 156 121.614 121.614 122.995 -1.381 18726 4550 1 6 . 1 1 156 156 VAL HA H 156 4.094 4.094 4.495 -0.401 18726 4551 1 6 . 1 1 156 156 VAL CA C 156 62.553 62.553 62.575 -0.022 18726 4552 1 6 . 1 1 156 156 VAL CB C 156 32.823 32.823 33.788 -0.965 18726 4553 1 6 . 1 1 156 156 VAL H H 156 8.103 8.103 8.069 0.034 18726 4554 1 6 . 1 1 157 157 GLN N N 157 123.938 123.938 125.585 -1.647 18726 4555 1 6 . 1 1 157 157 GLN HA H 157 4.310 4.310 4.622 -0.312 18726 4556 1 6 . 1 1 157 157 GLN CA C 157 55.867 55.867 55.974 -0.107 18726 4557 1 6 . 1 1 157 157 GLN CB C 157 29.370 29.370 29.788 -0.418 18726 4558 1 6 . 1 1 157 157 GLN H H 157 8.371 8.371 8.423 -0.052 18726 4559 1 6 . 1 1 158 158 MET N N 158 122.300 122.300 120.742 1.558 18726 4560 1 6 . 1 1 158 158 MET HA H 158 4.470 4.470 4.640 -0.170 18726 4561 1 6 . 1 1 158 158 MET CA C 158 55.720 55.720 55.209 0.511 18726 4562 1 6 . 1 1 158 158 MET CB C 158 32.959 32.959 34.579 -1.620 18726 4563 1 6 . 1 1 158 158 MET H H 158 8.425 8.425 7.928 0.496 18726 4564 1 6 . 1 1 159 159 GLY N N 159 110.605 110.605 110.884 -0.279 18726 4565 1 6 . 1 1 159 159 GLY CA C 159 45.689 45.689 45.082 0.607 18726 4566 1 6 . 1 1 159 159 GLY H H 159 8.396 8.396 8.573 -0.177 18726 4567 1 7 . 1 1 1 1 SER HA H 1 4.417 4.417 4.111 0.306 18726 4568 1 7 . 1 1 1 1 SER CA C 1 58.904 58.904 58.516 0.388 18726 4569 1 7 . 1 1 1 1 SER CB C 1 64.069 64.069 63.560 0.509 18726 4570 1 7 . 1 1 2 2 GLY N N 2 110.955 110.955 107.426 3.529 18726 4571 1 7 . 1 1 2 2 GLY CA C 2 45.689 45.689 45.024 0.665 18726 4572 1 7 . 1 1 2 2 GLY H H 2 8.620 8.620 8.264 0.356 18726 4573 1 7 . 1 1 3 3 SER N N 3 116.638 116.638 119.175 -2.537 18726 4574 1 7 . 1 1 3 3 SER HA H 3 4.495 4.495 4.244 0.251 18726 4575 1 7 . 1 1 3 3 SER CA C 3 58.386 58.386 58.050 0.336 18726 4576 1 7 . 1 1 3 3 SER CB C 3 64.877 64.877 64.502 0.375 18726 4577 1 7 . 1 1 3 3 SER H H 3 8.459 8.459 8.243 0.216 18726 4578 1 7 . 1 1 4 4 LEU N N 4 123.760 123.760 127.621 -3.861 18726 4579 1 7 . 1 1 4 4 LEU HA H 4 4.094 4.094 4.214 -0.120 18726 4580 1 7 . 1 1 4 4 LEU CA C 4 58.973 58.973 57.324 1.649 18726 4581 1 7 . 1 1 4 4 LEU CB C 4 41.594 41.594 41.903 -0.309 18726 4582 1 7 . 1 1 4 4 LEU H H 4 8.700 8.700 8.692 0.008 18726 4583 1 7 . 1 1 5 5 GLY N N 5 126.963 126.963 105.898 21.065 18726 4584 1 7 . 1 1 5 5 GLY CA C 5 46.887 46.887 47.043 -0.156 18726 4585 1 7 . 1 1 5 5 GLY H H 5 8.814 8.814 8.000 0.814 18726 4586 1 7 . 1 1 6 6 ASP N N 6 125.167 125.167 123.355 1.812 18726 4587 1 7 . 1 1 6 6 ASP HA H 6 4.369 4.369 4.521 -0.152 18726 4588 1 7 . 1 1 6 6 ASP CA C 6 57.972 57.972 57.937 0.035 18726 4589 1 7 . 1 1 6 6 ASP CB C 6 40.957 40.957 41.305 -0.348 18726 4590 1 7 . 1 1 6 6 ASP H H 6 8.119 8.119 7.656 0.463 18726 4591 1 7 . 1 1 7 7 GLN N N 7 119.521 119.521 119.747 -0.226 18726 4592 1 7 . 1 1 7 7 GLN HA H 7 4.160 4.160 4.095 0.065 18726 4593 1 7 . 1 1 7 7 GLN CA C 7 59.404 59.404 59.090 0.314 18726 4594 1 7 . 1 1 7 7 GLN CB C 7 29.199 29.199 29.093 0.106 18726 4595 1 7 . 1 1 7 7 GLN H H 7 8.398 8.398 7.984 0.414 18726 4596 1 7 . 1 1 8 8 LEU N N 8 121.234 121.234 119.924 1.310 18726 4597 1 7 . 1 1 8 8 LEU HA H 8 3.801 3.801 3.884 -0.083 18726 4598 1 7 . 1 1 8 8 LEU CA C 8 57.722 57.722 58.315 -0.593 18726 4599 1 7 . 1 1 8 8 LEU CB C 8 42.403 42.403 41.290 1.113 18726 4600 1 7 . 1 1 8 8 LEU H H 8 9.087 9.087 8.323 0.764 18726 4601 1 7 . 1 1 9 9 THR N N 9 116.094 116.094 112.423 3.671 18726 4602 1 7 . 1 1 9 9 THR HA H 9 3.513 3.513 3.933 -0.420 18726 4603 1 7 . 1 1 9 9 THR CA C 9 68.886 68.886 66.229 2.657 18726 4604 1 7 . 1 1 9 9 THR CB C 9 67.968 67.968 68.423 -0.455 18726 4605 1 7 . 1 1 9 9 THR H H 9 8.188 8.188 8.008 0.180 18726 4606 1 7 . 1 1 10 10 SER N N 10 115.044 115.044 118.818 -3.774 18726 4607 1 7 . 1 1 10 10 SER HA H 10 4.154 4.154 4.086 0.068 18726 4608 1 7 . 1 1 10 10 SER CA C 10 61.898 61.898 62.918 -1.020 18726 4609 1 7 . 1 1 10 10 SER CB C 10 62.900 62.900 63.088 -0.188 18726 4610 1 7 . 1 1 10 10 SER H H 10 7.801 7.801 8.409 -0.608 18726 4611 1 7 . 1 1 11 11 THR N N 11 119.022 119.022 118.726 0.296 18726 4612 1 7 . 1 1 11 11 THR HA H 11 3.920 3.920 3.972 -0.052 18726 4613 1 7 . 1 1 11 11 THR CA C 11 67.747 67.747 66.655 1.092 18726 4614 1 7 . 1 1 11 11 THR CB C 11 68.804 68.804 68.571 0.233 18726 4615 1 7 . 1 1 11 11 THR H H 11 8.147 8.147 8.136 0.011 18726 4616 1 7 . 1 1 12 12 LEU N N 12 120.609 120.609 122.707 -2.098 18726 4617 1 7 . 1 1 12 12 LEU HA H 12 3.890 3.890 3.897 -0.007 18726 4618 1 7 . 1 1 12 12 LEU CA C 12 58.265 58.265 58.155 0.110 18726 4619 1 7 . 1 1 12 12 LEU CB C 12 42.598 42.598 41.504 1.094 18726 4620 1 7 . 1 1 12 12 LEU H H 12 8.368 8.368 8.450 -0.082 18726 4621 1 7 . 1 1 13 13 ALA N N 13 119.231 119.231 120.556 -1.325 18726 4622 1 7 . 1 1 13 13 ALA HA H 13 3.816 3.816 3.999 -0.183 18726 4623 1 7 . 1 1 13 13 ALA CA C 13 55.729 55.729 55.059 0.670 18726 4624 1 7 . 1 1 13 13 ALA CB C 13 17.422 17.422 18.072 -0.650 18726 4625 1 7 . 1 1 13 13 ALA H H 13 8.755 8.755 8.606 0.149 18726 4626 1 7 . 1 1 14 14 SER N N 14 116.251 116.251 115.918 0.333 18726 4627 1 7 . 1 1 14 14 SER HA H 14 4.052 4.052 4.096 -0.044 18726 4628 1 7 . 1 1 14 14 SER CA C 14 62.079 62.079 62.285 -0.207 18726 4629 1 7 . 1 1 14 14 SER CB C 14 63.111 63.111 62.974 0.137 18726 4630 1 7 . 1 1 14 14 SER H H 14 8.318 8.318 7.760 0.558 18726 4631 1 7 . 1 1 15 15 ALA N N 15 121.629 121.629 123.687 -2.058 18726 4632 1 7 . 1 1 15 15 ALA HA H 15 4.166 4.166 4.082 0.084 18726 4633 1 7 . 1 1 15 15 ALA CA C 15 54.918 54.918 54.755 0.163 18726 4634 1 7 . 1 1 15 15 ALA CB C 15 18.397 18.397 18.563 -0.166 18726 4635 1 7 . 1 1 15 15 ALA H H 15 7.943 7.943 8.239 -0.296 18726 4636 1 7 . 1 1 16 16 LEU N N 16 112.541 112.541 117.582 -5.041 18726 4637 1 7 . 1 1 16 16 LEU HA H 16 3.885 3.885 4.130 -0.245 18726 4638 1 7 . 1 1 16 16 LEU CA C 16 57.731 57.731 56.915 0.816 18726 4639 1 7 . 1 1 16 16 LEU CB C 16 42.208 42.208 41.613 0.595 18726 4640 1 7 . 1 1 16 16 LEU H H 16 8.083 8.083 8.148 -0.065 18726 4641 1 7 . 1 1 17 17 THR N N 17 116.527 116.527 113.812 2.715 18726 4642 1 7 . 1 1 17 17 THR HA H 17 3.388 3.388 4.191 -0.803 18726 4643 1 7 . 1 1 17 17 THR CA C 17 67.972 67.972 65.655 2.317 18726 4644 1 7 . 1 1 17 17 THR CB C 17 68.860 68.860 69.061 -0.201 18726 4645 1 7 . 1 1 17 17 THR H H 17 8.044 8.044 7.739 0.305 18726 4646 1 7 . 1 1 18 18 LYS N N 18 115.841 115.841 117.992 -2.151 18726 4647 1 7 . 1 1 18 18 LYS HA H 18 4.142 4.142 4.506 -0.364 18726 4648 1 7 . 1 1 18 18 LYS CA C 18 56.859 56.859 55.125 1.734 18726 4649 1 7 . 1 1 18 18 LYS CB C 18 34.271 34.271 32.672 1.599 18726 4650 1 7 . 1 1 18 18 LYS H H 18 6.810 6.810 7.388 -0.578 18726 4651 1 7 . 1 1 19 19 THR N N 19 108.482 108.482 113.250 -4.768 18726 4652 1 7 . 1 1 19 19 THR HA H 19 4.088 4.088 4.797 -0.709 18726 4653 1 7 . 1 1 19 19 THR CA C 19 61.656 61.656 60.321 1.335 18726 4654 1 7 . 1 1 19 19 THR CB C 19 70.168 70.168 71.514 -1.346 18726 4655 1 7 . 1 1 19 19 THR H H 19 7.419 7.419 7.136 0.283 18726 4656 1 7 . 1 1 20 20 ASN N N 20 126.031 126.031 125.376 0.655 18726 4657 1 7 . 1 1 20 20 ASN HA H 20 4.304 4.304 4.322 -0.018 18726 4658 1 7 . 1 1 20 20 ASN CA C 20 57.247 57.247 56.679 0.568 18726 4659 1 7 . 1 1 20 20 ASN CB C 20 39.033 39.033 37.823 1.210 18726 4660 1 7 . 1 1 20 20 ASN H H 20 11.715 11.715 9.012 2.703 18726 4661 1 7 . 1 1 21 21 THR N N 21 119.223 119.223 117.001 2.222 18726 4662 1 7 . 1 1 21 21 THR HA H 21 3.723 3.723 4.063 -0.340 18726 4663 1 7 . 1 1 21 21 THR CA C 21 68.803 68.803 66.387 2.416 18726 4664 1 7 . 1 1 21 21 THR CB C 21 70.168 70.168 68.819 1.349 18726 4665 1 7 . 1 1 21 21 THR H H 21 10.495 10.495 9.181 1.314 18726 4666 1 7 . 1 1 22 22 LEU N N 22 119.484 119.484 120.786 -1.302 18726 4667 1 7 . 1 1 22 22 LEU HA H 22 3.920 3.920 4.363 -0.443 18726 4668 1 7 . 1 1 22 22 LEU CA C 22 57.360 57.360 56.486 0.874 18726 4669 1 7 . 1 1 22 22 LEU CB C 22 40.983 40.983 41.774 -0.791 18726 4670 1 7 . 1 1 22 22 LEU H H 22 7.908 7.908 8.307 -0.399 18726 4671 1 7 . 1 1 23 23 LYS N N 23 121.033 121.033 120.177 0.856 18726 4672 1 7 . 1 1 23 23 LYS HA H 23 3.843 3.843 3.947 -0.104 18726 4673 1 7 . 1 1 23 23 LYS CA C 23 61.078 61.078 59.993 1.085 18726 4674 1 7 . 1 1 23 23 LYS CB C 23 32.210 32.210 32.047 0.163 18726 4675 1 7 . 1 1 23 23 LYS H H 23 7.968 7.968 8.422 -0.454 18726 4676 1 7 . 1 1 24 24 ALA N N 24 121.376 121.376 121.704 -0.328 18726 4677 1 7 . 1 1 24 24 ALA HA H 24 4.118 4.118 4.073 0.045 18726 4678 1 7 . 1 1 24 24 ALA CA C 24 54.892 54.892 55.333 -0.441 18726 4679 1 7 . 1 1 24 24 ALA CB C 24 18.564 18.564 18.482 0.082 18726 4680 1 7 . 1 1 24 24 ALA H H 24 8.239 8.239 8.283 -0.044 18726 4681 1 7 . 1 1 25 25 VAL N N 25 118.009 118.009 114.218 3.791 18726 4682 1 7 . 1 1 25 25 VAL HA H 25 3.244 3.244 3.556 -0.312 18726 4683 1 7 . 1 1 25 25 VAL CA C 25 67.420 67.420 65.744 1.676 18726 4684 1 7 . 1 1 25 25 VAL CB C 25 31.904 31.904 31.611 0.293 18726 4685 1 7 . 1 1 25 25 VAL H H 25 7.972 7.972 7.391 0.581 18726 4686 1 7 . 1 1 26 26 SER N N 26 113.107 113.107 116.585 -3.478 18726 4687 1 7 . 1 1 26 26 SER HA H 26 3.645 3.645 3.862 -0.217 18726 4688 1 7 . 1 1 26 26 SER CA C 26 62.157 62.157 61.345 0.812 18726 4689 1 7 . 1 1 26 26 SER CB C 26 63.206 63.206 63.177 0.029 18726 4690 1 7 . 1 1 26 26 SER H H 26 8.092 8.092 7.991 0.101 18726 4691 1 7 . 1 1 27 27 ALA N N 27 122.069 122.069 123.182 -1.113 18726 4692 1 7 . 1 1 27 27 ALA HA H 27 4.178 4.178 4.239 -0.061 18726 4693 1 7 . 1 1 27 27 ALA CA C 27 54.504 54.504 54.348 0.156 18726 4694 1 7 . 1 1 27 27 ALA CB C 27 18.676 18.676 18.557 0.119 18726 4695 1 7 . 1 1 27 27 ALA H H 27 8.224 8.224 8.043 0.181 18726 4696 1 7 . 1 1 28 28 SER N N 28 111.990 111.990 113.373 -1.383 18726 4697 1 7 . 1 1 28 28 SER HA H 28 4.298 4.298 4.318 -0.020 18726 4698 1 7 . 1 1 28 28 SER CA C 28 60.051 60.051 59.689 0.362 18726 4699 1 7 . 1 1 28 28 SER CB C 28 64.376 64.376 63.726 0.650 18726 4700 1 7 . 1 1 28 28 SER H H 28 7.441 7.441 7.484 -0.043 18726 4701 1 7 . 1 1 29 29 LYS N N 29 116.653 116.653 119.765 -3.112 18726 4702 1 7 . 1 1 29 29 LYS HA H 29 4.010 4.010 4.079 -0.069 18726 4703 1 7 . 1 1 29 29 LYS CA C 29 56.859 56.859 56.539 0.320 18726 4704 1 7 . 1 1 29 29 LYS CB C 29 30.957 30.957 31.265 -0.308 18726 4705 1 7 . 1 1 29 29 LYS H H 29 7.725 7.725 7.443 0.282 18726 4706 1 7 . 1 1 30 30 PRO HA H 30 4.501 4.501 4.421 0.080 18726 4707 1 7 . 1 1 30 30 PRO CA C 30 62.709 62.709 63.867 -1.158 18726 4708 1 7 . 1 1 30 30 PRO CB C 30 30.906 30.906 32.215 -1.309 18726 4709 1 7 . 1 1 31 31 SER N N 31 115.595 115.595 111.203 4.392 18726 4710 1 7 . 1 1 31 31 SER HA H 31 4.286 4.286 4.511 -0.225 18726 4711 1 7 . 1 1 31 31 SER CA C 31 57.739 57.739 57.460 0.279 18726 4712 1 7 . 1 1 31 31 SER CB C 31 64.515 64.515 64.531 -0.017 18726 4713 1 7 . 1 1 31 31 SER H H 31 8.349 8.349 7.779 0.570 18726 4714 1 7 . 1 1 32 32 ALA N N 32 124.266 124.266 126.311 -2.045 18726 4715 1 7 . 1 1 32 32 ALA HA H 32 4.351 4.351 4.085 0.266 18726 4716 1 7 . 1 1 32 32 ALA CA C 32 55.772 55.772 54.272 1.500 18726 4717 1 7 . 1 1 32 32 ALA CB C 32 18.954 18.954 18.793 0.161 18726 4718 1 7 . 1 1 32 32 ALA H H 32 9.039 9.039 8.876 0.163 18726 4719 1 7 . 1 1 33 33 ASN N N 33 111.722 111.722 117.213 -5.491 18726 4720 1 7 . 1 1 33 33 ASN HA H 33 4.274 4.274 4.448 -0.174 18726 4721 1 7 . 1 1 33 33 ASN CA C 33 56.402 56.402 56.003 0.399 18726 4722 1 7 . 1 1 33 33 ASN CB C 33 37.780 37.780 37.848 -0.068 18726 4723 1 7 . 1 1 33 33 ASN H H 33 8.301 8.301 8.585 -0.284 18726 4724 1 7 . 1 1 34 34 VAL N N 34 123.804 123.804 116.186 7.618 18726 4725 1 7 . 1 1 34 34 VAL HA H 34 3.166 3.166 3.664 -0.498 18726 4726 1 7 . 1 1 34 34 VAL CA C 34 66.634 66.634 64.484 2.150 18726 4727 1 7 . 1 1 34 34 VAL CB C 34 31.347 31.347 31.099 0.248 18726 4728 1 7 . 1 1 34 34 VAL H H 34 7.376 7.376 7.222 0.154 18726 4729 1 7 . 1 1 35 35 ALA N N 35 122.314 122.314 123.292 -0.978 18726 4730 1 7 . 1 1 35 35 ALA HA H 35 3.591 3.591 3.899 -0.308 18726 4731 1 7 . 1 1 35 35 ALA CA C 35 56.255 56.255 55.440 0.815 18726 4732 1 7 . 1 1 35 35 ALA CB C 35 18.063 18.063 18.383 -0.320 18726 4733 1 7 . 1 1 35 35 ALA H H 35 8.558 8.558 8.428 0.130 18726 4734 1 7 . 1 1 36 36 VAL N N 36 115.595 115.595 117.997 -2.402 18726 4735 1 7 . 1 1 36 36 VAL HA H 36 3.316 3.316 3.686 -0.370 18726 4736 1 7 . 1 1 36 36 VAL CA C 36 67.756 67.756 66.654 1.102 18726 4737 1 7 . 1 1 36 36 VAL CB C 36 32.099 32.099 31.225 0.874 18726 4738 1 7 . 1 1 36 36 VAL H H 36 8.507 8.507 7.568 0.939 18726 4739 1 7 . 1 1 37 37 ALA N N 37 126.247 126.247 123.570 2.677 18726 4740 1 7 . 1 1 37 37 ALA HA H 37 4.040 4.040 4.235 -0.195 18726 4741 1 7 . 1 1 37 37 ALA CA C 37 56.048 56.048 54.894 1.154 18726 4742 1 7 . 1 1 37 37 ALA CB C 37 18.091 18.091 18.613 -0.522 18726 4743 1 7 . 1 1 37 37 ALA H H 37 7.801 7.801 7.332 0.469 18726 4744 1 7 . 1 1 38 38 ILE N N 38 118.344 118.344 119.194 -0.850 18726 4745 1 7 . 1 1 38 38 ILE HA H 38 3.561 3.561 3.777 -0.216 18726 4746 1 7 . 1 1 38 38 ILE CA C 38 66.263 66.263 65.762 0.501 18726 4747 1 7 . 1 1 38 38 ILE CB C 38 39.395 39.395 38.248 1.147 18726 4748 1 7 . 1 1 38 38 ILE H H 38 8.305 8.305 8.066 0.239 18726 4749 1 7 . 1 1 39 39 VAL N N 39 117.264 117.264 120.252 -2.988 18726 4750 1 7 . 1 1 39 39 VAL HA H 39 3.573 3.573 3.698 -0.125 18726 4751 1 7 . 1 1 39 39 VAL CA C 39 67.074 67.074 66.271 0.803 18726 4752 1 7 . 1 1 39 39 VAL CB C 39 32.127 32.127 31.893 0.234 18726 4753 1 7 . 1 1 39 39 VAL H H 39 8.331 8.331 8.247 0.084 18726 4754 1 7 . 1 1 40 40 THR N N 40 112.303 112.303 114.193 -1.890 18726 4755 1 7 . 1 1 40 40 THR HA H 40 3.831 3.831 3.940 -0.109 18726 4756 1 7 . 1 1 40 40 THR CA C 40 67.152 67.152 67.106 0.046 18726 4757 1 7 . 1 1 40 40 THR CB C 40 68.776 68.776 68.325 0.451 18726 4758 1 7 . 1 1 40 40 THR H H 40 9.029 9.029 8.197 0.832 18726 4759 1 7 . 1 1 41 41 SER N N 41 117.085 117.085 118.616 -1.531 18726 4760 1 7 . 1 1 41 41 SER HA H 41 4.274 4.274 4.120 0.154 18726 4761 1 7 . 1 1 41 41 SER CA C 41 62.182 62.182 63.004 -0.822 18726 4762 1 7 . 1 1 41 41 SER CB C 41 63.067 63.067 62.883 0.184 18726 4763 1 7 . 1 1 41 41 SER H H 41 7.599 7.599 7.796 -0.197 18726 4764 1 7 . 1 1 42 42 GLY N N 42 107.258 107.258 109.125 -1.867 18726 4765 1 7 . 1 1 42 42 GLY CA C 42 47.917 47.917 46.711 1.206 18726 4766 1 7 . 1 1 42 42 GLY H H 42 7.599 7.599 7.642 -0.043 18726 4767 1 7 . 1 1 43 43 LEU N N 43 122.262 122.262 122.866 -0.604 18726 4768 1 7 . 1 1 43 43 LEU HA H 43 3.914 3.914 3.933 -0.019 18726 4769 1 7 . 1 1 43 43 LEU CA C 43 57.782 57.782 57.849 -0.067 18726 4770 1 7 . 1 1 43 43 LEU CB C 43 42.876 42.876 41.786 1.090 18726 4771 1 7 . 1 1 43 43 LEU H H 43 8.595 8.595 8.217 0.378 18726 4772 1 7 . 1 1 44 44 LYS N N 44 118.851 118.851 119.331 -0.480 18726 4773 1 7 . 1 1 44 44 LYS HA H 44 3.855 3.855 4.045 -0.190 18726 4774 1 7 . 1 1 44 44 LYS CA C 44 60.604 60.604 59.724 0.880 18726 4775 1 7 . 1 1 44 44 LYS CB C 44 32.322 32.322 32.206 0.116 18726 4776 1 7 . 1 1 44 44 LYS H H 44 8.589 8.589 8.351 0.238 18726 4777 1 7 . 1 1 45 45 LYS N N 45 118.322 118.322 119.968 -1.646 18726 4778 1 7 . 1 1 45 45 LYS HA H 45 4.160 4.160 4.054 0.106 18726 4779 1 7 . 1 1 45 45 LYS CA C 45 58.326 58.326 58.875 -0.549 18726 4780 1 7 . 1 1 45 45 LYS CB C 45 32.492 32.492 32.247 0.245 18726 4781 1 7 . 1 1 45 45 LYS H H 45 7.189 7.189 7.664 -0.475 18726 4782 1 7 . 1 1 46 46 ALA N N 46 121.301 121.301 122.133 -0.832 18726 4783 1 7 . 1 1 46 46 ALA HA H 46 3.831 3.831 4.095 -0.264 18726 4784 1 7 . 1 1 46 46 ALA CA C 46 55.539 55.539 55.002 0.537 18726 4785 1 7 . 1 1 46 46 ALA CB C 46 20.152 20.152 18.516 1.636 18726 4786 1 7 . 1 1 46 46 ALA H H 46 8.060 8.060 8.002 0.058 18726 4787 1 7 . 1 1 47 47 LEU N N 47 116.206 116.206 117.128 -0.922 18726 4788 1 7 . 1 1 47 47 LEU HA H 47 3.902 3.902 4.013 -0.111 18726 4789 1 7 . 1 1 47 47 LEU CA C 47 57.929 57.929 57.358 0.571 18726 4790 1 7 . 1 1 47 47 LEU CB C 47 40.426 40.426 41.651 -1.225 18726 4791 1 7 . 1 1 47 47 LEU H H 47 9.045 9.045 8.316 0.729 18726 4792 1 7 . 1 1 48 48 GLY N N 48 106.001 106.001 106.544 -0.543 18726 4793 1 7 . 1 1 48 48 GLY CA C 48 46.859 46.859 46.865 -0.006 18726 4794 1 7 . 1 1 48 48 GLY H H 48 7.739 7.739 8.247 -0.508 18726 4795 1 7 . 1 1 49 49 ALA N N 49 125.570 125.570 123.427 2.143 18726 4796 1 7 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.361 -0.183 18726 4797 1 7 . 1 1 49 49 ALA CA C 49 54.573 54.573 53.527 1.046 18726 4798 1 7 . 1 1 49 49 ALA CB C 49 18.369 18.369 18.888 -0.519 18726 4799 1 7 . 1 1 49 49 ALA H H 49 7.763 7.763 7.771 -0.008 18726 4800 1 7 . 1 1 50 50 LEU N N 50 116.176 116.176 118.004 -1.828 18726 4801 1 7 . 1 1 50 50 LEU HA H 50 4.178 4.178 4.333 -0.155 18726 4802 1 7 . 1 1 50 50 LEU CA C 50 54.961 54.961 54.263 0.698 18726 4803 1 7 . 1 1 50 50 LEU CB C 50 44.213 44.213 42.054 2.159 18726 4804 1 7 . 1 1 50 50 LEU H H 50 7.519 7.519 7.209 0.310 18726 4805 1 7 . 1 1 51 51 ARG N N 51 115.327 115.327 115.064 0.263 18726 4806 1 7 . 1 1 51 51 ARG HA H 51 3.920 3.920 3.914 0.006 18726 4807 1 7 . 1 1 51 51 ARG CA C 51 56.894 56.894 56.722 0.172 18726 4808 1 7 . 1 1 51 51 ARG CB C 51 27.559 27.559 26.816 0.744 18726 4809 1 7 . 1 1 51 51 ARG H H 51 7.782 7.782 7.416 0.366 18726 4810 1 7 . 1 1 52 52 ILE N N 52 118.612 118.612 118.739 -0.127 18726 4811 1 7 . 1 1 52 52 ILE HA H 52 4.052 4.052 3.950 0.102 18726 4812 1 7 . 1 1 52 52 ILE CA C 52 59.465 59.465 60.167 -0.702 18726 4813 1 7 . 1 1 52 52 ILE CB C 52 36.778 36.778 37.135 -0.357 18726 4814 1 7 . 1 1 52 52 ILE H H 52 7.381 7.381 7.958 -0.577 18726 4815 1 7 . 1 1 53 53 ASN N N 53 124.728 124.728 124.879 -0.151 18726 4816 1 7 . 1 1 53 53 ASN HA H 53 4.435 4.435 4.495 -0.060 18726 4817 1 7 . 1 1 53 53 ASN CA C 53 54.219 54.219 53.762 0.457 18726 4818 1 7 . 1 1 53 53 ASN CB C 53 39.897 39.897 40.008 -0.111 18726 4819 1 7 . 1 1 53 53 ASN H H 53 8.503 8.503 8.682 -0.179 18726 4820 1 7 . 1 1 54 54 ALA HA H 54 4.064 4.064 4.060 0.004 18726 4821 1 7 . 1 1 54 54 ALA CA C 54 55.772 55.772 54.656 1.116 18726 4822 1 7 . 1 1 54 54 ALA CB C 54 18.926 18.926 19.055 -0.129 18726 4823 1 7 . 1 1 55 55 GLY N N 55 108.675 108.675 106.722 1.953 18726 4824 1 7 . 1 1 55 55 GLY CA C 55 47.165 47.165 47.136 0.029 18726 4825 1 7 . 1 1 55 55 GLY H H 55 8.479 8.479 8.801 -0.322 18726 4826 1 7 . 1 1 56 56 VAL N N 56 124.251 124.251 120.750 3.501 18726 4827 1 7 . 1 1 56 56 VAL HA H 56 3.687 3.687 3.841 -0.154 18726 4828 1 7 . 1 1 56 56 VAL CA C 56 66.160 66.160 64.051 2.109 18726 4829 1 7 . 1 1 56 56 VAL CB C 56 31.598 31.598 31.622 -0.024 18726 4830 1 7 . 1 1 56 56 VAL H H 56 8.035 8.035 7.687 0.348 18726 4831 1 7 . 1 1 57 57 SER N N 57 115.290 115.290 114.396 0.894 18726 4832 1 7 . 1 1 57 57 SER HA H 57 3.992 3.992 4.128 -0.136 18726 4833 1 7 . 1 1 57 57 SER CA C 57 62.881 62.881 60.911 1.970 18726 4834 1 7 . 1 1 57 57 SER CB C 57 62.733 62.733 62.658 0.075 18726 4835 1 7 . 1 1 57 57 SER H H 57 8.551 8.551 8.529 0.022 18726 4836 1 7 . 1 1 58 58 SER N N 58 117.711 117.711 117.614 0.097 18726 4837 1 7 . 1 1 58 58 SER HA H 58 4.238 4.238 4.295 -0.057 18726 4838 1 7 . 1 1 58 58 SER CA C 58 61.656 61.656 60.850 0.806 18726 4839 1 7 . 1 1 58 58 SER CB C 58 62.800 62.800 63.395 -0.595 18726 4840 1 7 . 1 1 58 58 SER H H 58 8.176 8.176 7.780 0.396 18726 4841 1 7 . 1 1 59 59 GLN N N 59 122.746 122.746 121.740 1.006 18726 4842 1 7 . 1 1 59 59 GLN HA H 59 4.046 4.046 4.116 -0.070 18726 4843 1 7 . 1 1 59 59 GLN CA C 59 59.249 59.249 58.317 0.932 18726 4844 1 7 . 1 1 59 59 GLN CB C 59 28.980 28.980 28.507 0.473 18726 4845 1 7 . 1 1 59 59 GLN H H 59 7.737 7.737 7.622 0.115 18726 4846 1 7 . 1 1 60 60 LEU N N 60 121.748 121.748 121.721 0.027 18726 4847 1 7 . 1 1 60 60 LEU HA H 60 3.980 3.980 4.129 -0.149 18726 4848 1 7 . 1 1 60 60 LEU CA C 60 60.483 60.483 58.352 2.131 18726 4849 1 7 . 1 1 60 60 LEU CB C 60 43.378 43.378 42.239 1.139 18726 4850 1 7 . 1 1 60 60 LEU H H 60 8.804 8.804 8.229 0.575 18726 4851 1 7 . 1 1 61 61 THR N N 61 114.366 114.366 113.685 0.681 18726 4852 1 7 . 1 1 61 61 THR HA H 61 3.675 3.675 4.012 -0.337 18726 4853 1 7 . 1 1 61 61 THR CA C 61 67.713 67.713 66.720 0.993 18726 4854 1 7 . 1 1 61 61 THR CB C 61 67.968 67.968 68.332 -0.364 18726 4855 1 7 . 1 1 61 61 THR H H 61 8.654 8.654 7.710 0.945 18726 4856 1 7 . 1 1 62 62 SER N N 62 119.141 119.141 119.794 -0.653 18726 4857 1 7 . 1 1 62 62 SER HA H 62 4.232 4.232 4.335 -0.103 18726 4858 1 7 . 1 1 62 62 SER CA C 62 62.217 62.217 62.027 0.190 18726 4859 1 7 . 1 1 62 62 SER CB C 62 62.900 62.900 63.037 -0.137 18726 4860 1 7 . 1 1 62 62 SER H H 62 8.161 8.161 7.604 0.557 18726 4861 1 7 . 1 1 63 63 ALA N N 63 124.393 124.393 124.741 -0.348 18726 4862 1 7 . 1 1 63 63 ALA HA H 63 4.178 4.178 4.016 0.162 18726 4863 1 7 . 1 1 63 63 ALA CA C 63 55.418 55.418 55.015 0.403 18726 4864 1 7 . 1 1 63 63 ALA CB C 63 19.066 19.066 18.369 0.697 18726 4865 1 7 . 1 1 63 63 ALA H H 63 7.921 7.921 8.334 -0.413 18726 4866 1 7 . 1 1 64 64 VAL N N 64 118.888 118.888 118.891 -0.003 18726 4867 1 7 . 1 1 64 64 VAL HA H 64 3.765 3.765 3.730 0.035 18726 4868 1 7 . 1 1 64 64 VAL CA C 64 66.419 66.419 65.665 0.754 18726 4869 1 7 . 1 1 64 64 VAL CB C 64 31.966 31.966 30.981 0.985 18726 4870 1 7 . 1 1 64 64 VAL H H 64 8.548 8.548 8.379 0.169 18726 4871 1 7 . 1 1 65 65 SER N N 65 115.469 115.469 114.545 0.924 18726 4872 1 7 . 1 1 65 65 SER HA H 65 3.920 3.920 4.071 -0.151 18726 4873 1 7 . 1 1 65 65 SER CA C 65 63.235 63.235 61.923 1.312 18726 4874 1 7 . 1 1 65 65 SER CB C 65 63.291 63.291 62.715 0.576 18726 4875 1 7 . 1 1 65 65 SER H H 65 8.360 8.360 8.092 0.268 18726 4876 1 7 . 1 1 66 66 GLN N N 66 118.918 118.918 122.910 -3.992 18726 4877 1 7 . 1 1 66 66 GLN HA H 66 3.938 3.938 4.025 -0.087 18726 4878 1 7 . 1 1 66 66 GLN CA C 66 58.844 58.844 58.926 -0.082 18726 4879 1 7 . 1 1 66 66 GLN CB C 66 28.810 28.810 28.514 0.296 18726 4880 1 7 . 1 1 66 66 GLN H H 66 7.676 7.676 7.641 0.035 18726 4881 1 7 . 1 1 67 67 ALA N N 67 120.720 120.720 121.414 -0.694 18726 4882 1 7 . 1 1 67 67 ALA HA H 67 4.154 4.154 4.055 0.099 18726 4883 1 7 . 1 1 67 67 ALA CA C 67 55.323 55.323 54.916 0.407 18726 4884 1 7 . 1 1 67 67 ALA CB C 67 19.483 19.483 18.472 1.011 18726 4885 1 7 . 1 1 67 67 ALA H H 67 7.390 7.390 7.708 -0.318 18726 4886 1 7 . 1 1 68 68 VAL N N 68 119.335 119.335 116.971 2.364 18726 4887 1 7 . 1 1 68 68 VAL HA H 68 3.447 3.447 3.547 -0.100 18726 4888 1 7 . 1 1 68 68 VAL CA C 68 66.591 66.591 65.808 0.783 18726 4889 1 7 . 1 1 68 68 VAL CB C 68 31.514 31.514 31.780 -0.266 18726 4890 1 7 . 1 1 68 68 VAL H H 68 9.069 9.069 8.064 1.005 18726 4891 1 7 . 1 1 69 69 ALA N N 69 122.568 122.568 119.150 3.418 18726 4892 1 7 . 1 1 69 69 ALA HA H 69 3.962 3.962 4.303 -0.341 18726 4893 1 7 . 1 1 69 69 ALA CA C 69 54.512 54.512 53.516 0.996 18726 4894 1 7 . 1 1 69 69 ALA CB C 69 18.035 18.035 18.610 -0.575 18726 4895 1 7 . 1 1 69 69 ALA H H 69 8.370 8.370 7.628 0.742 18726 4896 1 7 . 1 1 70 70 ASN N N 70 113.242 113.242 116.379 -3.137 18726 4897 1 7 . 1 1 70 70 ASN HA H 70 4.651 4.651 4.707 -0.056 18726 4898 1 7 . 1 1 70 70 ASN CA C 70 52.994 52.994 53.942 -0.948 18726 4899 1 7 . 1 1 70 70 ASN CB C 70 39.897 39.897 39.348 0.549 18726 4900 1 7 . 1 1 70 70 ASN H H 70 6.987 6.987 7.559 -0.572 18726 4901 1 7 . 1 1 71 71 VAL N N 71 122.456 122.456 120.390 2.066 18726 4902 1 7 . 1 1 71 71 VAL HA H 71 3.591 3.591 3.649 -0.058 18726 4903 1 7 . 1 1 71 71 VAL CA C 71 63.037 63.037 63.712 -0.675 18726 4904 1 7 . 1 1 71 71 VAL CB C 71 31.598 31.598 31.946 -0.348 18726 4905 1 7 . 1 1 71 71 VAL H H 71 7.284 7.284 7.504 -0.220 18726 4906 1 7 . 1 1 72 72 ARG N N 72 108.757 108.757 115.620 -6.863 18726 4907 1 7 . 1 1 72 72 ARG HA H 72 4.387 4.387 4.025 0.362 18726 4908 1 7 . 1 1 72 72 ARG CA C 72 54.487 54.487 55.888 -1.401 18726 4909 1 7 . 1 1 72 72 ARG CB C 72 29.840 29.840 29.443 0.397 18726 4910 1 7 . 1 1 72 72 ARG H H 72 8.700 8.700 8.017 0.683 18726 4911 1 7 . 1 1 73 73 PRO HA H 73 4.399 4.399 4.780 -0.381 18726 4912 1 7 . 1 1 73 73 PRO CA C 73 64.339 64.339 62.940 1.399 18726 4913 1 7 . 1 1 73 73 PRO CB C 73 32.043 32.043 32.325 -0.282 18726 4914 1 7 . 1 1 74 74 GLY N N 74 111.647 111.647 110.976 0.671 18726 4915 1 7 . 1 1 74 74 GLY CA C 74 45.188 45.188 45.065 0.124 18726 4916 1 7 . 1 1 74 74 GLY H H 74 9.447 9.447 8.767 0.680 18726 4917 1 7 . 1 1 75 75 SER N N 75 116.057 116.057 116.386 -0.329 18726 4918 1 7 . 1 1 75 75 SER HA H 75 4.477 4.477 4.720 -0.243 18726 4919 1 7 . 1 1 75 75 SER CA C 75 60.509 60.509 56.934 3.575 18726 4920 1 7 . 1 1 75 75 SER CB C 75 64.710 64.710 65.243 -0.533 18726 4921 1 7 . 1 1 75 75 SER H H 75 7.600 7.600 7.979 -0.379 18726 4922 1 7 . 1 1 76 76 SER N N 76 118.456 118.456 118.330 0.126 18726 4923 1 7 . 1 1 76 76 SER HA H 76 4.693 4.693 4.523 0.170 18726 4924 1 7 . 1 1 76 76 SER CA C 76 57.247 57.247 57.234 0.013 18726 4925 1 7 . 1 1 76 76 SER CB C 76 63.011 63.011 63.622 -0.611 18726 4926 1 7 . 1 1 76 76 SER H H 76 8.726 8.726 8.783 -0.057 18726 4927 1 7 . 1 1 77 77 PRO HA H 77 4.262 4.262 4.405 -0.143 18726 4928 1 7 . 1 1 77 77 PRO CA C 77 66.565 66.565 64.563 2.002 18726 4929 1 7 . 1 1 77 77 PRO CB C 77 32.350 32.350 31.924 0.426 18726 4930 1 7 . 1 1 78 78 ALA N N 78 117.189 117.189 121.505 -4.316 18726 4931 1 7 . 1 1 78 78 ALA HA H 78 4.513 4.513 4.278 0.235 18726 4932 1 7 . 1 1 78 78 ALA CA C 78 54.590 54.590 54.553 0.036 18726 4933 1 7 . 1 1 78 78 ALA CB C 78 18.982 18.982 18.568 0.414 18726 4934 1 7 . 1 1 78 78 ALA H H 78 8.085 8.085 8.301 -0.216 18726 4935 1 7 . 1 1 79 79 VAL N N 79 119.946 119.946 116.207 3.739 18726 4936 1 7 . 1 1 79 79 VAL HA H 79 3.609 3.609 3.730 -0.121 18726 4937 1 7 . 1 1 79 79 VAL CA C 79 66.307 66.307 65.530 0.777 18726 4938 1 7 . 1 1 79 79 VAL CB C 79 31.820 31.820 30.307 1.513 18726 4939 1 7 . 1 1 79 79 VAL H H 79 7.741 7.741 7.557 0.184 18726 4940 1 7 . 1 1 80 80 TYR N N 80 117.577 117.577 120.467 -2.890 18726 4941 1 7 . 1 1 80 80 TYR HA H 80 3.867 3.867 4.115 -0.248 18726 4942 1 7 . 1 1 80 80 TYR CA C 80 63.675 63.675 62.291 1.384 18726 4943 1 7 . 1 1 80 80 TYR CB C 80 39.924 39.924 37.853 2.071 18726 4944 1 7 . 1 1 80 80 TYR H H 80 7.207 7.207 7.567 -0.360 18726 4945 1 7 . 1 1 81 81 ALA N N 81 118.761 118.761 119.569 -0.808 18726 4946 1 7 . 1 1 81 81 ALA HA H 81 3.711 3.711 3.950 -0.239 18726 4947 1 7 . 1 1 81 81 ALA CA C 81 55.781 55.781 54.782 0.999 18726 4948 1 7 . 1 1 81 81 ALA CB C 81 20.792 20.792 18.449 2.343 18726 4949 1 7 . 1 1 81 81 ALA H H 81 8.962 8.962 7.939 1.023 18726 4950 1 7 . 1 1 82 82 LYS N N 82 117.778 117.778 119.840 -2.062 18726 4951 1 7 . 1 1 82 82 LYS HA H 82 3.807 3.807 4.093 -0.286 18726 4952 1 7 . 1 1 82 82 LYS CA C 82 60.155 60.155 58.238 1.917 18726 4953 1 7 . 1 1 82 82 LYS CB C 82 32.322 32.322 32.148 0.174 18726 4954 1 7 . 1 1 82 82 LYS H H 82 7.727 7.727 7.776 -0.049 18726 4955 1 7 . 1 1 83 83 ALA N N 83 120.810 120.810 120.285 0.525 18726 4956 1 7 . 1 1 83 83 ALA HA H 83 4.022 4.022 4.239 -0.217 18726 4957 1 7 . 1 1 83 83 ALA CA C 83 54.366 54.366 54.609 -0.243 18726 4958 1 7 . 1 1 83 83 ALA CB C 83 18.453 18.453 18.237 0.216 18726 4959 1 7 . 1 1 83 83 ALA H H 83 7.182 7.182 8.078 -0.896 18726 4960 1 7 . 1 1 84 84 ILE N N 84 109.964 109.964 114.072 -4.108 18726 4961 1 7 . 1 1 84 84 ILE HA H 84 3.861 3.861 3.984 -0.123 18726 4962 1 7 . 1 1 84 84 ILE CA C 84 63.373 63.373 61.944 1.429 18726 4963 1 7 . 1 1 84 84 ILE CB C 84 40.342 40.342 38.680 1.662 18726 4964 1 7 . 1 1 84 84 ILE H H 84 7.109 7.109 7.125 -0.016 18726 4965 1 7 . 1 1 85 85 ALA N N 85 120.162 120.162 121.086 -0.924 18726 4966 1 7 . 1 1 85 85 ALA HA H 85 3.777 3.777 4.341 -0.564 18726 4967 1 7 . 1 1 85 85 ALA CA C 85 55.789 55.789 54.026 1.763 18726 4968 1 7 . 1 1 85 85 ALA CB C 85 20.931 20.931 19.692 1.239 18726 4969 1 7 . 1 1 85 85 ALA H H 85 8.770 8.770 7.564 1.206 18726 4970 1 7 . 1 1 86 86 ALA N N 86 116.824 116.824 123.097 -6.273 18726 4971 1 7 . 1 1 86 86 ALA HA H 86 4.310 4.310 4.084 0.226 18726 4972 1 7 . 1 1 86 86 ALA CA C 86 56.756 56.756 56.697 0.059 18726 4973 1 7 . 1 1 86 86 ALA CB C 86 15.417 15.417 16.383 -0.966 18726 4974 1 7 . 1 1 86 86 ALA H H 86 8.513 8.513 8.527 -0.014 18726 4975 1 7 . 1 1 87 87 PRO HA H 87 4.405 4.405 4.341 0.064 18726 4976 1 7 . 1 1 87 87 PRO CA C 87 65.185 65.185 64.855 0.330 18726 4977 1 7 . 1 1 87 87 PRO CB C 87 30.734 30.734 31.530 -0.796 18726 4978 1 7 . 1 1 88 88 SER N N 88 108.653 108.653 114.443 -5.790 18726 4979 1 7 . 1 1 88 88 SER HA H 88 3.861 3.861 4.342 -0.481 18726 4980 1 7 . 1 1 88 88 SER CA C 88 62.735 62.735 61.153 1.582 18726 4981 1 7 . 1 1 88 88 SER CB C 88 63.039 63.039 63.062 -0.023 18726 4982 1 7 . 1 1 88 88 SER H H 88 6.474 6.474 7.238 -0.764 18726 4983 1 7 . 1 1 89 89 VAL N N 89 120.951 120.951 120.743 0.208 18726 4984 1 7 . 1 1 89 89 VAL HA H 89 3.226 3.226 3.730 -0.504 18726 4985 1 7 . 1 1 89 89 VAL CA C 89 67.644 67.644 65.727 1.917 18726 4986 1 7 . 1 1 89 89 VAL CB C 89 30.929 30.929 31.104 -0.174 18726 4987 1 7 . 1 1 89 89 VAL H H 89 8.220 8.220 8.479 -0.259 18726 4988 1 7 . 1 1 90 90 GLN N N 90 117.435 117.435 119.197 -1.762 18726 4989 1 7 . 1 1 90 90 GLN HA H 90 3.873 3.873 3.980 -0.107 18726 4990 1 7 . 1 1 90 90 GLN CA C 90 59.818 59.818 58.832 0.986 18726 4991 1 7 . 1 1 90 90 GLN CB C 90 28.256 28.256 28.447 -0.191 18726 4992 1 7 . 1 1 90 90 GLN H H 90 7.922 7.922 8.032 -0.110 18726 4993 1 7 . 1 1 91 91 ILE N N 91 117.875 117.875 120.083 -2.208 18726 4994 1 7 . 1 1 91 91 ILE HA H 91 4.052 4.052 3.935 0.117 18726 4995 1 7 . 1 1 91 91 ILE CA C 91 63.201 63.201 64.141 -0.940 18726 4996 1 7 . 1 1 91 91 ILE CB C 91 37.613 37.613 38.450 -0.837 18726 4997 1 7 . 1 1 91 91 ILE H H 91 7.532 7.532 7.339 0.193 18726 4998 1 7 . 1 1 92 92 LEU N N 92 123.357 123.357 120.628 2.729 18726 4999 1 7 . 1 1 92 92 LEU HA H 92 3.807 3.807 4.000 -0.193 18726 5000 1 7 . 1 1 92 92 LEU CA C 92 59.171 59.171 58.369 0.802 18726 5001 1 7 . 1 1 92 92 LEU CB C 92 41.205 41.205 41.897 -0.692 18726 5002 1 7 . 1 1 92 92 LEU H H 92 8.481 8.481 8.297 0.184 18726 5003 1 7 . 1 1 93 93 VAL N N 93 118.180 118.180 118.323 -0.143 18726 5004 1 7 . 1 1 93 93 VAL HA H 93 3.873 3.873 3.806 0.067 18726 5005 1 7 . 1 1 93 93 VAL CA C 93 66.496 66.496 64.572 1.924 18726 5006 1 7 . 1 1 93 93 VAL CB C 93 31.765 31.765 31.812 -0.047 18726 5007 1 7 . 1 1 93 93 VAL H H 93 8.777 8.777 8.239 0.538 18726 5008 1 7 . 1 1 94 94 SER N N 94 118.471 118.471 114.266 4.205 18726 5009 1 7 . 1 1 94 94 SER HA H 94 4.226 4.226 4.451 -0.225 18726 5010 1 7 . 1 1 94 94 SER CA C 94 62.390 62.390 60.753 1.637 18726 5011 1 7 . 1 1 94 94 SER CB C 94 62.733 62.733 63.377 -0.644 18726 5012 1 7 . 1 1 94 94 SER H H 94 8.660 8.660 7.670 0.990 18726 5013 1 7 . 1 1 95 95 SER N N 95 112.698 112.698 115.289 -2.591 18726 5014 1 7 . 1 1 95 95 SER HA H 95 4.441 4.441 4.575 -0.134 18726 5015 1 7 . 1 1 95 95 SER CA C 95 59.301 59.301 58.330 0.971 18726 5016 1 7 . 1 1 95 95 SER CB C 95 65.935 65.935 64.210 1.725 18726 5017 1 7 . 1 1 95 95 SER H H 95 8.048 8.048 7.729 0.319 18726 5018 1 7 . 1 1 96 96 GLY N N 96 110.277 110.277 110.444 -0.167 18726 5019 1 7 . 1 1 96 96 GLY CA C 96 45.968 45.968 46.039 -0.071 18726 5020 1 7 . 1 1 96 96 GLY H H 96 7.955 7.955 7.347 0.608 18726 5021 1 7 . 1 1 97 97 SER N N 97 115.595 115.595 115.336 0.259 18726 5022 1 7 . 1 1 97 97 SER HA H 97 4.292 4.292 4.180 0.112 18726 5023 1 7 . 1 1 97 97 SER CA C 97 61.535 61.535 60.553 0.982 18726 5024 1 7 . 1 1 97 97 SER CB C 97 64.042 64.042 63.754 0.288 18726 5025 1 7 . 1 1 97 97 SER H H 97 8.216 8.216 7.998 0.218 18726 5026 1 7 . 1 1 98 98 VAL N N 98 116.579 116.579 115.476 1.103 18726 5027 1 7 . 1 1 98 98 VAL HA H 98 4.884 4.884 4.412 0.472 18726 5028 1 7 . 1 1 98 98 VAL CA C 98 59.111 59.111 60.729 -1.618 18726 5029 1 7 . 1 1 98 98 VAL CB C 98 35.051 35.051 34.505 0.546 18726 5030 1 7 . 1 1 98 98 VAL H H 98 7.288 7.288 7.374 -0.086 18726 5031 1 7 . 1 1 99 99 ASN N N 99 123.722 123.722 123.019 0.703 18726 5032 1 7 . 1 1 99 99 ASN HA H 99 4.627 4.627 4.847 -0.220 18726 5033 1 7 . 1 1 99 99 ASN CA C 99 51.838 51.838 51.565 0.273 18726 5034 1 7 . 1 1 99 99 ASN CB C 99 40.676 40.676 40.520 0.156 18726 5035 1 7 . 1 1 99 99 ASN H H 99 9.179 9.179 8.421 0.758 18726 5036 1 7 . 1 1 100 100 ASN N N 100 115.148 115.148 118.464 -3.316 18726 5037 1 7 . 1 1 100 100 ASN HA H 100 4.292 4.292 4.677 -0.385 18726 5038 1 7 . 1 1 100 100 ASN CA C 100 56.894 56.894 53.708 3.187 18726 5039 1 7 . 1 1 100 100 ASN CB C 100 38.281 38.281 37.163 1.118 18726 5040 1 7 . 1 1 100 100 ASN H H 100 8.667 8.667 8.709 -0.042 18726 5041 1 7 . 1 1 101 101 ASN N N 101 115.201 115.201 116.949 -1.748 18726 5042 1 7 . 1 1 101 101 ASN HA H 101 4.711 4.711 4.679 0.032 18726 5043 1 7 . 1 1 101 101 ASN CA C 101 55.306 55.306 55.148 0.158 18726 5044 1 7 . 1 1 101 101 ASN CB C 101 39.256 39.256 39.571 -0.315 18726 5045 1 7 . 1 1 101 101 ASN H H 101 8.471 8.471 8.419 0.052 18726 5046 1 7 . 1 1 102 102 ASN N N 102 116.780 116.780 118.842 -2.062 18726 5047 1 7 . 1 1 102 102 ASN HA H 102 5.124 5.124 4.856 0.268 18726 5048 1 7 . 1 1 102 102 ASN CA C 102 51.950 51.950 53.767 -1.817 18726 5049 1 7 . 1 1 102 102 ASN CB C 102 39.089 39.089 39.872 -0.783 18726 5050 1 7 . 1 1 102 102 ASN H H 102 7.854 7.854 7.999 -0.145 18726 5051 1 7 . 1 1 103 103 ALA N N 103 121.808 121.808 123.665 -1.857 18726 5052 1 7 . 1 1 103 103 ALA HA H 103 3.747 3.747 3.931 -0.184 18726 5053 1 7 . 1 1 103 103 ALA CA C 103 57.058 57.058 55.652 1.406 18726 5054 1 7 . 1 1 103 103 ALA CB C 103 19.511 19.511 18.386 1.125 18726 5055 1 7 . 1 1 103 103 ALA H H 103 7.447 7.447 7.855 -0.408 18726 5056 1 7 . 1 1 104 104 LYS N N 104 114.873 114.873 117.439 -2.566 18726 5057 1 7 . 1 1 104 104 LYS HA H 104 3.992 3.992 4.208 -0.216 18726 5058 1 7 . 1 1 104 104 LYS CA C 104 60.284 60.284 59.354 0.930 18726 5059 1 7 . 1 1 104 104 LYS CB C 104 32.322 32.322 31.829 0.493 18726 5060 1 7 . 1 1 104 104 LYS H H 104 8.344 8.344 8.358 -0.014 18726 5061 1 7 . 1 1 105 105 GLN N N 105 120.720 120.720 119.644 1.076 18726 5062 1 7 . 1 1 105 105 GLN HA H 105 4.094 4.094 4.182 -0.088 18726 5063 1 7 . 1 1 105 105 GLN CA C 105 59.137 59.137 59.044 0.093 18726 5064 1 7 . 1 1 105 105 GLN CB C 105 28.339 28.339 28.635 -0.296 18726 5065 1 7 . 1 1 105 105 GLN H H 105 7.892 7.892 7.439 0.453 18726 5066 1 7 . 1 1 106 106 VAL N N 106 120.556 120.556 120.311 0.245 18726 5067 1 7 . 1 1 106 106 VAL HA H 106 3.567 3.567 3.794 -0.227 18726 5068 1 7 . 1 1 106 106 VAL CA C 106 66.496 66.496 64.971 1.525 18726 5069 1 7 . 1 1 106 106 VAL CB C 106 31.848 31.848 31.385 0.463 18726 5070 1 7 . 1 1 106 106 VAL H H 106 8.693 8.693 8.718 -0.025 18726 5071 1 7 . 1 1 107 107 ALA N N 107 119.655 119.655 121.427 -1.772 18726 5072 1 7 . 1 1 107 107 ALA HA H 107 3.813 3.813 3.986 -0.173 18726 5073 1 7 . 1 1 107 107 ALA CA C 107 55.884 55.884 55.475 0.409 18726 5074 1 7 . 1 1 107 107 ALA CB C 107 18.174 18.174 18.104 0.070 18726 5075 1 7 . 1 1 107 107 ALA H H 107 8.750 8.750 8.053 0.697 18726 5076 1 7 . 1 1 108 108 SER N N 108 115.469 115.469 114.461 1.008 18726 5077 1 7 . 1 1 108 108 SER HA H 108 4.304 4.304 4.248 0.056 18726 5078 1 7 . 1 1 108 108 SER CA C 108 61.950 61.950 61.861 0.089 18726 5079 1 7 . 1 1 108 108 SER CB C 108 63.290 63.290 63.199 0.091 18726 5080 1 7 . 1 1 108 108 SER H H 108 8.162 8.162 7.774 0.388 18726 5081 1 7 . 1 1 109 109 THR N N 109 119.201 119.201 119.918 -0.717 18726 5082 1 7 . 1 1 109 109 THR HA H 109 4.052 4.052 4.157 -0.105 18726 5083 1 7 . 1 1 109 109 THR CA C 109 67.195 67.195 66.204 0.991 18726 5084 1 7 . 1 1 109 109 THR CB C 109 68.832 68.832 68.817 0.015 18726 5085 1 7 . 1 1 109 109 THR H H 109 8.218 8.218 8.077 0.141 18726 5086 1 7 . 1 1 110 110 LEU N N 110 122.329 122.329 123.752 -1.423 18726 5087 1 7 . 1 1 110 110 LEU HA H 110 3.920 3.920 3.918 0.002 18726 5088 1 7 . 1 1 110 110 LEU CA C 110 59.025 59.025 59.201 -0.176 18726 5089 1 7 . 1 1 110 110 LEU CB C 110 43.211 43.211 41.910 1.300 18726 5090 1 7 . 1 1 110 110 LEU H H 110 9.083 9.083 8.479 0.604 18726 5091 1 7 . 1 1 111 111 SER N N 111 113.018 113.018 114.035 -1.017 18726 5092 1 7 . 1 1 111 111 SER HA H 111 3.747 3.747 4.067 -0.320 18726 5093 1 7 . 1 1 111 111 SER CA C 111 63.848 63.848 62.580 1.268 18726 5094 1 7 . 1 1 111 111 SER CB C 111 63.958 63.958 62.626 1.332 18726 5095 1 7 . 1 1 111 111 SER H H 111 8.052 8.052 7.809 0.243 18726 5096 1 7 . 1 1 112 112 GLU N N 112 122.329 122.329 123.295 -0.966 18726 5097 1 7 . 1 1 112 112 GLU HA H 112 3.741 3.741 3.890 -0.149 18726 5098 1 7 . 1 1 112 112 GLU CA C 112 60.431 60.431 59.737 0.694 18726 5099 1 7 . 1 1 112 112 GLU CB C 112 29.199 29.199 29.517 -0.319 18726 5100 1 7 . 1 1 112 112 GLU H H 112 8.358 8.358 7.939 0.419 18726 5101 1 7 . 1 1 113 113 ASN N N 113 113.629 113.629 118.075 -4.446 18726 5102 1 7 . 1 1 113 113 ASN HA H 113 4.375 4.375 4.550 -0.175 18726 5103 1 7 . 1 1 113 113 ASN CA C 113 57.523 57.523 56.406 1.117 18726 5104 1 7 . 1 1 113 113 ASN CB C 113 40.788 40.788 39.043 1.745 18726 5105 1 7 . 1 1 113 113 ASN H H 113 7.265 7.265 8.323 -1.058 18726 5106 1 7 . 1 1 114 114 LEU N N 114 118.054 118.054 123.087 -5.033 18726 5107 1 7 . 1 1 114 114 LEU HA H 114 3.944 3.944 4.076 -0.132 18726 5108 1 7 . 1 1 114 114 LEU CA C 114 58.619 58.619 58.441 0.178 18726 5109 1 7 . 1 1 114 114 LEU CB C 114 43.489 43.489 42.113 1.376 18726 5110 1 7 . 1 1 114 114 LEU H H 114 8.417 8.417 8.632 -0.215 18726 5111 1 7 . 1 1 115 115 VAL N N 115 115.990 115.990 118.662 -2.672 18726 5112 1 7 . 1 1 115 115 VAL HA H 115 3.561 3.561 3.575 -0.014 18726 5113 1 7 . 1 1 115 115 VAL CA C 115 67.730 67.730 67.114 0.616 18726 5114 1 7 . 1 1 115 115 VAL CB C 115 31.820 31.820 31.272 0.548 18726 5115 1 7 . 1 1 115 115 VAL H H 115 8.051 8.051 8.569 -0.518 18726 5116 1 7 . 1 1 116 116 ARG N N 116 116.541 116.541 120.385 -3.844 18726 5117 1 7 . 1 1 116 116 ARG HA H 116 3.771 3.771 3.878 -0.107 18726 5118 1 7 . 1 1 116 116 ARG CA C 116 60.552 60.552 60.074 0.478 18726 5119 1 7 . 1 1 116 116 ARG CB C 116 30.790 30.790 30.001 0.789 18726 5120 1 7 . 1 1 116 116 ARG H H 116 7.799 7.799 7.627 0.172 18726 5121 1 7 . 1 1 117 117 GLU N N 117 116.013 116.013 119.231 -3.218 18726 5122 1 7 . 1 1 117 117 GLU HA H 117 4.627 4.627 4.160 0.467 18726 5123 1 7 . 1 1 117 117 GLU CA C 117 57.593 57.593 58.907 -1.314 18726 5124 1 7 . 1 1 117 117 GLU CB C 117 28.952 28.952 29.186 -0.234 18726 5125 1 7 . 1 1 117 117 GLU H H 117 8.089 8.089 8.161 -0.072 18726 5126 1 7 . 1 1 118 118 MET N N 118 120.497 120.497 120.041 0.456 18726 5127 1 7 . 1 1 118 118 MET HA H 118 4.046 4.046 4.281 -0.235 18726 5128 1 7 . 1 1 118 118 MET CA C 118 60.845 60.845 59.518 1.327 18726 5129 1 7 . 1 1 118 118 MET CB C 118 34.132 34.132 32.620 1.512 18726 5130 1 7 . 1 1 118 118 MET H H 118 8.751 8.751 8.616 0.135 18726 5131 1 7 . 1 1 119 119 ALA N N 119 119.171 119.171 121.167 -1.996 18726 5132 1 7 . 1 1 119 119 ALA HA H 119 3.819 3.819 4.029 -0.210 18726 5133 1 7 . 1 1 119 119 ALA CA C 119 55.979 55.979 55.263 0.716 18726 5134 1 7 . 1 1 119 119 ALA CB C 119 18.954 18.954 18.303 0.651 18726 5135 1 7 . 1 1 119 119 ALA H H 119 7.903 7.903 8.708 -0.805 18726 5136 1 7 . 1 1 120 120 ASN N N 120 115.223 115.223 115.940 -0.717 18726 5137 1 7 . 1 1 120 120 ASN HA H 120 4.465 4.465 4.529 -0.064 18726 5138 1 7 . 1 1 120 120 ASN CA C 120 56.480 56.480 55.834 0.646 18726 5139 1 7 . 1 1 120 120 ASN CB C 120 38.922 38.922 38.551 0.371 18726 5140 1 7 . 1 1 120 120 ASN H H 120 7.687 7.687 7.903 -0.216 18726 5141 1 7 . 1 1 121 121 THR N N 121 117.264 117.264 115.825 1.439 18726 5142 1 7 . 1 1 121 121 THR HA H 121 3.956 3.956 4.242 -0.286 18726 5143 1 7 . 1 1 121 121 THR CA C 121 67.074 67.074 65.714 1.360 18726 5144 1 7 . 1 1 121 121 THR CB C 121 68.247 68.247 69.097 -0.850 18726 5145 1 7 . 1 1 121 121 THR H H 121 8.726 8.726 7.938 0.788 18726 5146 1 7 . 1 1 122 122 ALA N N 122 123.581 123.581 125.405 -1.824 18726 5147 1 7 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.298 -0.342 18726 5148 1 7 . 1 1 122 122 ALA CA C 122 55.824 55.824 55.090 0.734 18726 5149 1 7 . 1 1 122 122 ALA CB C 122 16.782 16.782 18.410 -1.627 18726 5150 1 7 . 1 1 122 122 ALA H H 122 8.955 8.955 8.659 0.296 18726 5151 1 7 . 1 1 123 123 ARG N N 123 116.698 116.698 116.577 0.121 18726 5152 1 7 . 1 1 123 123 ARG HA H 123 4.190 4.190 4.108 0.082 18726 5153 1 7 . 1 1 123 123 ARG CA C 123 59.732 59.732 58.986 0.746 18726 5154 1 7 . 1 1 123 123 ARG CB C 123 30.233 30.233 29.678 0.555 18726 5155 1 7 . 1 1 123 123 ARG H H 123 7.439 7.439 7.997 -0.558 18726 5156 1 7 . 1 1 124 124 ARG N N 124 119.231 119.231 118.452 0.779 18726 5157 1 7 . 1 1 124 124 ARG HA H 124 4.082 4.082 4.089 -0.007 18726 5158 1 7 . 1 1 124 124 ARG CA C 124 58.240 58.240 57.620 0.620 18726 5159 1 7 . 1 1 124 124 ARG CB C 124 29.314 29.314 29.832 -0.518 18726 5160 1 7 . 1 1 124 124 ARG H H 124 7.669 7.669 7.510 0.159 18726 5161 1 7 . 1 1 125 125 TYR N N 125 118.650 118.650 117.803 0.847 18726 5162 1 7 . 1 1 125 125 TYR HA H 125 4.567 4.567 4.712 -0.145 18726 5163 1 7 . 1 1 125 125 TYR CA C 125 57.748 57.748 56.834 0.914 18726 5164 1 7 . 1 1 125 125 TYR CB C 125 38.059 38.059 37.317 0.742 18726 5165 1 7 . 1 1 125 125 TYR H H 125 7.606 7.606 7.694 -0.088 18726 5166 1 7 . 1 1 126 126 ARG N N 126 110.322 110.322 116.109 -5.787 18726 5167 1 7 . 1 1 126 126 ARG HA H 126 3.789 3.789 4.089 -0.300 18726 5168 1 7 . 1 1 126 126 ARG CA C 126 57.860 57.860 57.454 0.406 18726 5169 1 7 . 1 1 126 126 ARG CB C 126 27.866 27.866 29.232 -1.366 18726 5170 1 7 . 1 1 126 126 ARG H H 126 7.657 7.657 7.782 -0.125 18726 5171 1 7 . 1 1 127 127 VAL N N 127 120.877 120.877 118.685 2.192 18726 5172 1 7 . 1 1 127 127 VAL HA H 127 4.004 4.004 4.258 -0.254 18726 5173 1 7 . 1 1 127 127 VAL CA C 127 62.105 62.105 60.827 1.278 18726 5174 1 7 . 1 1 127 127 VAL CB C 127 31.681 31.681 30.245 1.436 18726 5175 1 7 . 1 1 127 127 VAL H H 127 7.601 7.601 7.991 -0.390 18726 5176 1 7 . 1 1 128 128 ASN N N 128 125.726 125.726 119.935 5.791 18726 5177 1 7 . 1 1 128 128 ASN HA H 128 4.663 4.663 4.480 0.183 18726 5178 1 7 . 1 1 128 128 ASN CA C 128 52.787 52.787 53.856 -1.069 18726 5179 1 7 . 1 1 128 128 ASN CB C 128 39.476 39.476 38.843 0.633 18726 5180 1 7 . 1 1 128 128 ASN H H 128 8.604 8.604 7.539 1.065 18726 5181 1 7 . 1 1 129 129 VAL N N 129 126.963 126.963 124.184 2.779 18726 5182 1 7 . 1 1 129 129 VAL HA H 129 4.286 4.286 4.371 -0.085 18726 5183 1 7 . 1 1 129 129 VAL CA C 129 59.637 59.637 59.220 0.417 18726 5184 1 7 . 1 1 129 129 VAL CB C 129 33.101 33.101 34.121 -1.020 18726 5185 1 7 . 1 1 129 129 VAL H H 129 8.223 8.223 8.315 -0.092 18726 5186 1 7 . 1 1 130 130 PRO HA H 130 4.435 4.435 4.559 -0.124 18726 5187 1 7 . 1 1 130 130 PRO CA C 130 63.045 63.045 62.566 0.479 18726 5188 1 7 . 1 1 130 130 PRO CB C 130 32.795 32.795 32.850 -0.055 18726 5189 1 7 . 1 1 131 131 GLU N N 131 125.786 125.786 125.021 0.765 18726 5190 1 7 . 1 1 131 131 GLU HA H 131 3.944 3.944 3.882 0.062 18726 5191 1 7 . 1 1 131 131 GLU CA C 131 60.431 60.431 59.341 1.090 18726 5192 1 7 . 1 1 131 131 GLU CB C 131 29.147 29.147 29.121 0.026 18726 5193 1 7 . 1 1 131 131 GLU H H 131 9.135 9.135 9.072 0.063 18726 5194 1 7 . 1 1 132 132 ALA N N 132 119.640 119.640 120.009 -0.369 18726 5195 1 7 . 1 1 132 132 ALA HA H 132 4.183 4.183 4.205 -0.022 18726 5196 1 7 . 1 1 132 132 ALA CA C 132 55.341 55.341 54.667 0.674 18726 5197 1 7 . 1 1 132 132 ALA CB C 132 18.314 18.314 18.254 0.060 18726 5198 1 7 . 1 1 132 132 ALA H H 132 9.105 9.105 8.320 0.785 18726 5199 1 7 . 1 1 133 133 SER N N 133 114.523 114.523 114.077 0.446 18726 5200 1 7 . 1 1 133 133 SER HA H 133 4.328 4.328 4.285 0.043 18726 5201 1 7 . 1 1 133 133 SER CA C 133 61.673 61.673 60.671 1.002 18726 5202 1 7 . 1 1 133 133 SER CB C 133 62.621 62.621 63.803 -1.182 18726 5203 1 7 . 1 1 133 133 SER H H 133 7.417 7.417 7.932 -0.515 18726 5204 1 7 . 1 1 134 134 VAL N N 134 124.609 124.609 122.270 2.339 18726 5205 1 7 . 1 1 134 134 VAL HA H 134 3.495 3.495 3.783 -0.288 18726 5206 1 7 . 1 1 134 134 VAL CA C 134 66.867 66.867 65.832 1.035 18726 5207 1 7 . 1 1 134 134 VAL CB C 134 31.514 31.514 31.284 0.230 18726 5208 1 7 . 1 1 134 134 VAL H H 134 7.731 7.731 7.956 -0.225 18726 5209 1 7 . 1 1 135 135 GLN N N 135 118.590 118.590 118.827 -0.237 18726 5210 1 7 . 1 1 135 135 GLN HA H 135 3.932 3.932 3.975 -0.043 18726 5211 1 7 . 1 1 135 135 GLN CA C 135 59.154 59.154 58.873 0.281 18726 5212 1 7 . 1 1 135 135 GLN CB C 135 27.810 27.810 27.095 0.715 18726 5213 1 7 . 1 1 135 135 GLN H H 135 8.247 8.247 8.287 -0.040 18726 5214 1 7 . 1 1 136 136 ALA N N 136 121.867 121.867 121.752 0.115 18726 5215 1 7 . 1 1 136 136 ALA HA H 136 4.184 4.184 4.058 0.126 18726 5216 1 7 . 1 1 136 136 ALA CA C 136 55.229 55.229 54.915 0.314 18726 5217 1 7 . 1 1 136 136 ALA CB C 136 17.924 17.924 17.967 -0.043 18726 5218 1 7 . 1 1 136 136 ALA H H 136 7.617 7.617 7.779 -0.162 18726 5219 1 7 . 1 1 137 137 ASP N N 137 121.450 121.450 119.238 2.212 18726 5220 1 7 . 1 1 137 137 ASP HA H 137 4.423 4.423 4.444 -0.021 18726 5221 1 7 . 1 1 137 137 ASP CA C 137 57.480 57.480 57.127 0.353 18726 5222 1 7 . 1 1 137 137 ASP CB C 137 41.735 41.735 40.277 1.458 18726 5223 1 7 . 1 1 137 137 ASP H H 137 8.097 8.097 7.451 0.646 18726 5224 1 7 . 1 1 138 138 VAL N N 138 121.018 121.018 119.577 1.441 18726 5225 1 7 . 1 1 138 138 VAL HA H 138 3.543 3.543 3.688 -0.145 18726 5226 1 7 . 1 1 138 138 VAL CA C 138 67.644 67.644 66.553 1.091 18726 5227 1 7 . 1 1 138 138 VAL CB C 138 31.625 31.625 31.359 0.266 18726 5228 1 7 . 1 1 138 138 VAL H H 138 8.630 8.630 8.112 0.518 18726 5229 1 7 . 1 1 139 139 SER N N 139 117.279 117.279 116.374 0.905 18726 5230 1 7 . 1 1 139 139 SER HA H 139 4.087 4.087 4.342 -0.255 18726 5231 1 7 . 1 1 139 139 SER CA C 139 62.191 62.191 62.153 0.039 18726 5232 1 7 . 1 1 139 139 SER CB C 139 62.996 62.996 63.204 -0.208 18726 5233 1 7 . 1 1 139 139 SER H H 139 8.146 8.146 8.018 0.128 18726 5234 1 7 . 1 1 140 140 LEU N N 140 123.402 123.402 122.890 0.512 18726 5235 1 7 . 1 1 140 140 LEU HA H 140 4.184 4.184 4.146 0.038 18726 5236 1 7 . 1 1 140 140 LEU CA C 140 59.025 59.025 58.153 0.872 18726 5237 1 7 . 1 1 140 140 LEU CB C 140 42.459 42.459 42.091 0.368 18726 5238 1 7 . 1 1 140 140 LEU H H 140 8.283 8.283 7.631 0.652 18726 5239 1 7 . 1 1 141 141 VAL N N 141 112.944 112.944 115.042 -2.098 18726 5240 1 7 . 1 1 141 141 VAL HA H 141 3.956 3.956 3.584 0.372 18726 5241 1 7 . 1 1 141 141 VAL CA C 141 66.169 66.169 66.462 -0.293 18726 5242 1 7 . 1 1 141 141 VAL CB C 141 30.762 30.762 31.586 -0.824 18726 5243 1 7 . 1 1 141 141 VAL H H 141 8.969 8.969 8.001 0.968 18726 5244 1 7 . 1 1 142 142 THR N N 142 114.612 114.612 113.594 1.018 18726 5245 1 7 . 1 1 142 142 THR HA H 142 4.160 4.160 4.177 -0.017 18726 5246 1 7 . 1 1 142 142 THR CA C 142 65.668 65.668 65.435 0.233 18726 5247 1 7 . 1 1 142 142 THR CB C 142 68.804 68.804 68.767 0.037 18726 5248 1 7 . 1 1 142 142 THR H H 142 8.134 8.134 8.185 -0.051 18726 5249 1 7 . 1 1 143 143 SER N N 143 120.124 120.124 118.609 1.515 18726 5250 1 7 . 1 1 143 143 SER HA H 143 4.292 4.292 4.228 0.064 18726 5251 1 7 . 1 1 143 143 SER CA C 143 62.079 62.079 61.997 0.082 18726 5252 1 7 . 1 1 143 143 SER CB C 143 62.928 62.928 63.008 -0.080 18726 5253 1 7 . 1 1 143 143 SER H H 143 8.014 8.014 8.076 -0.062 18726 5254 1 7 . 1 1 144 144 MET N N 144 119.335 119.335 118.691 0.644 18726 5255 1 7 . 1 1 144 144 MET HA H 144 4.226 4.226 4.326 -0.100 18726 5256 1 7 . 1 1 144 144 MET CA C 144 59.189 59.189 58.505 0.684 18726 5257 1 7 . 1 1 144 144 MET CB C 144 33.826 33.826 32.632 1.194 18726 5258 1 7 . 1 1 144 144 MET H H 144 8.172 8.172 7.821 0.351 18726 5259 1 7 . 1 1 145 145 THR N N 145 107.737 107.737 113.785 -6.048 18726 5260 1 7 . 1 1 145 145 THR HA H 145 4.052 4.052 4.085 -0.033 18726 5261 1 7 . 1 1 145 145 THR CA C 145 64.659 64.659 65.127 -0.468 18726 5262 1 7 . 1 1 145 145 THR CB C 145 69.138 69.138 68.895 0.243 18726 5263 1 7 . 1 1 145 145 THR H H 145 7.985 7.985 7.747 0.238 18726 5264 1 7 . 1 1 146 146 SER N N 146 113.986 113.986 117.198 -3.212 18726 5265 1 7 . 1 1 146 146 SER HA H 146 4.393 4.393 4.140 0.253 18726 5266 1 7 . 1 1 146 146 SER CA C 146 60.975 60.975 61.844 -0.869 18726 5267 1 7 . 1 1 146 146 SER CB C 146 63.847 63.847 63.172 0.675 18726 5268 1 7 . 1 1 146 146 SER H H 146 7.802 7.802 8.274 -0.472 18726 5269 1 7 . 1 1 147 147 THR N N 147 109.308 109.308 111.054 -1.746 18726 5270 1 7 . 1 1 147 147 THR HA H 147 4.405 4.405 4.472 -0.067 18726 5271 1 7 . 1 1 147 147 THR CA C 147 61.259 61.259 60.683 0.576 18726 5272 1 7 . 1 1 147 147 THR CB C 147 69.556 69.556 68.645 0.911 18726 5273 1 7 . 1 1 147 147 THR H H 147 7.206 7.206 7.349 -0.143 18726 5274 1 7 . 1 1 148 148 PHE N N 148 122.746 122.746 124.000 -1.254 18726 5275 1 7 . 1 1 148 148 PHE HA H 148 4.441 4.441 4.723 -0.282 18726 5276 1 7 . 1 1 148 148 PHE CA C 148 58.913 58.913 56.616 2.297 18726 5277 1 7 . 1 1 148 148 PHE CB C 148 39.952 39.952 40.214 -0.262 18726 5278 1 7 . 1 1 148 148 PHE H H 148 7.299 7.299 8.009 -0.710 18726 5279 1 7 . 1 1 149 149 VAL N N 149 124.892 124.892 129.152 -4.260 18726 5280 1 7 . 1 1 149 149 VAL HA H 149 3.938 3.938 4.068 -0.130 18726 5281 1 7 . 1 1 149 149 VAL CA C 149 61.233 61.233 60.686 0.547 18726 5282 1 7 . 1 1 149 149 VAL CB C 149 34.410 34.410 32.807 1.603 18726 5283 1 7 . 1 1 149 149 VAL H H 149 7.759 7.759 8.393 -0.634 18726 5284 1 7 . 1 1 150 150 ILE N N 150 124.892 124.892 125.903 -1.011 18726 5285 1 7 . 1 1 150 150 ILE HA H 150 4.015 4.015 3.913 0.102 18726 5286 1 7 . 1 1 150 150 ILE CA C 150 60.655 60.655 60.559 0.096 18726 5287 1 7 . 1 1 150 150 ILE CB C 150 38.755 38.755 38.589 0.167 18726 5288 1 7 . 1 1 150 150 ILE H H 150 8.120 8.120 7.848 0.272 18726 5289 1 7 . 1 1 151 151 SER N N 151 121.942 121.942 115.602 6.340 18726 5290 1 7 . 1 1 151 151 SER HA H 151 4.483 4.483 4.100 0.383 18726 5291 1 7 . 1 1 151 151 SER CA C 151 58.136 58.136 57.993 0.143 18726 5292 1 7 . 1 1 151 151 SER CB C 151 64.264 64.264 61.741 2.523 18726 5293 1 7 . 1 1 151 151 SER H H 151 8.746 8.746 8.781 -0.035 18726 5294 1 7 . 1 1 152 152 SER HA H 152 4.453 4.453 4.153 0.300 18726 5295 1 7 . 1 1 152 152 SER CA C 152 58.481 58.481 59.316 -0.835 18726 5296 1 7 . 1 1 152 152 SER CB C 152 64.188 64.188 64.179 0.009 18726 5297 1 7 . 1 1 153 153 GLN N N 153 122.081 122.081 120.937 1.144 18726 5298 1 7 . 1 1 153 153 GLN HA H 153 4.325 4.325 3.970 0.355 18726 5299 1 7 . 1 1 153 153 GLN CA C 153 56.104 56.104 56.346 -0.242 18726 5300 1 7 . 1 1 153 153 GLN CB C 153 29.322 29.322 28.749 0.573 18726 5301 1 7 . 1 1 153 153 GLN H H 153 8.404 8.404 8.738 -0.334 18726 5302 1 7 . 1 1 154 154 THR HA H 154 4.345 4.345 4.075 0.270 18726 5303 1 7 . 1 1 154 154 THR CA C 154 62.036 62.036 62.763 -0.727 18726 5304 1 7 . 1 1 154 154 THR CB C 154 69.806 69.806 68.714 1.092 18726 5305 1 7 . 1 1 155 155 SER N N 155 118.158 118.158 117.747 0.411 18726 5306 1 7 . 1 1 155 155 SER HA H 155 4.465 4.465 4.516 -0.051 18726 5307 1 7 . 1 1 155 155 SER CA C 155 58.447 58.447 58.256 0.191 18726 5308 1 7 . 1 1 155 155 SER CB C 155 64.069 64.069 63.997 0.072 18726 5309 1 7 . 1 1 155 155 SER H H 155 8.275 8.275 8.271 0.004 18726 5310 1 7 . 1 1 156 156 VAL N N 156 121.614 121.614 120.521 1.093 18726 5311 1 7 . 1 1 156 156 VAL HA H 156 4.094 4.094 4.325 -0.231 18726 5312 1 7 . 1 1 156 156 VAL CA C 156 62.553 62.553 62.269 0.284 18726 5313 1 7 . 1 1 156 156 VAL CB C 156 32.823 32.823 33.444 -0.621 18726 5314 1 7 . 1 1 156 156 VAL H H 156 8.103 8.103 7.797 0.306 18726 5315 1 7 . 1 1 157 157 GLN N N 157 123.938 123.938 124.967 -1.029 18726 5316 1 7 . 1 1 157 157 GLN HA H 157 4.310 4.310 4.625 -0.315 18726 5317 1 7 . 1 1 157 157 GLN CA C 157 55.867 55.867 55.483 0.384 18726 5318 1 7 . 1 1 157 157 GLN CB C 157 29.370 29.370 30.478 -1.108 18726 5319 1 7 . 1 1 157 157 GLN H H 157 8.371 8.371 8.270 0.101 18726 5320 1 7 . 1 1 158 158 MET N N 158 122.300 122.300 119.505 2.795 18726 5321 1 7 . 1 1 158 158 MET HA H 158 4.470 4.470 5.448 -0.978 18726 5322 1 7 . 1 1 158 158 MET CA C 158 55.720 55.720 55.214 0.506 18726 5323 1 7 . 1 1 158 158 MET CB C 158 32.959 32.959 34.643 -1.684 18726 5324 1 7 . 1 1 158 158 MET H H 158 8.425 8.425 8.822 -0.397 18726 5325 1 7 . 1 1 159 159 GLY N N 159 110.605 110.605 108.840 1.765 18726 5326 1 7 . 1 1 159 159 GLY CA C 159 45.689 45.689 45.255 0.434 18726 5327 1 7 . 1 1 159 159 GLY H H 159 8.396 8.396 8.850 -0.454 18726 5328 1 8 . 1 1 1 1 SER HA H 1 4.417 4.417 4.735 -0.318 18726 5329 1 8 . 1 1 1 1 SER CA C 1 58.904 58.904 57.639 1.266 18726 5330 1 8 . 1 1 1 1 SER CB C 1 64.069 64.069 65.787 -1.718 18726 5331 1 8 . 1 1 2 2 GLY N N 2 110.955 110.955 111.553 -0.598 18726 5332 1 8 . 1 1 2 2 GLY CA C 2 45.689 45.689 45.285 0.404 18726 5333 1 8 . 1 1 2 2 GLY H H 2 8.620 8.620 8.216 0.404 18726 5334 1 8 . 1 1 3 3 SER N N 3 116.638 116.638 121.813 -5.175 18726 5335 1 8 . 1 1 3 3 SER HA H 3 4.495 4.495 4.108 0.387 18726 5336 1 8 . 1 1 3 3 SER CA C 3 58.386 58.386 58.350 0.036 18726 5337 1 8 . 1 1 3 3 SER CB C 3 64.877 64.877 63.281 1.596 18726 5338 1 8 . 1 1 3 3 SER H H 3 8.459 8.459 8.577 -0.118 18726 5339 1 8 . 1 1 4 4 LEU N N 4 123.760 123.760 127.528 -3.768 18726 5340 1 8 . 1 1 4 4 LEU HA H 4 4.094 4.094 4.091 0.003 18726 5341 1 8 . 1 1 4 4 LEU CA C 4 58.973 58.973 58.065 0.908 18726 5342 1 8 . 1 1 4 4 LEU CB C 4 41.594 41.594 41.951 -0.357 18726 5343 1 8 . 1 1 4 4 LEU H H 4 8.700 8.700 8.490 0.210 18726 5344 1 8 . 1 1 5 5 GLY N N 5 126.963 126.963 104.548 22.415 18726 5345 1 8 . 1 1 5 5 GLY CA C 5 46.887 46.887 47.175 -0.287 18726 5346 1 8 . 1 1 5 5 GLY H H 5 8.814 8.814 8.510 0.304 18726 5347 1 8 . 1 1 6 6 ASP N N 6 125.167 125.167 123.342 1.825 18726 5348 1 8 . 1 1 6 6 ASP HA H 6 4.369 4.369 4.539 -0.170 18726 5349 1 8 . 1 1 6 6 ASP CA C 6 57.972 57.972 57.339 0.633 18726 5350 1 8 . 1 1 6 6 ASP CB C 6 40.957 40.957 40.664 0.293 18726 5351 1 8 . 1 1 6 6 ASP H H 6 8.119 8.119 7.573 0.546 18726 5352 1 8 . 1 1 7 7 GLN N N 7 119.521 119.521 119.605 -0.084 18726 5353 1 8 . 1 1 7 7 GLN HA H 7 4.160 4.160 4.000 0.160 18726 5354 1 8 . 1 1 7 7 GLN CA C 7 59.404 59.404 59.047 0.357 18726 5355 1 8 . 1 1 7 7 GLN CB C 7 29.199 29.199 28.999 0.200 18726 5356 1 8 . 1 1 7 7 GLN H H 7 8.398 8.398 8.200 0.198 18726 5357 1 8 . 1 1 8 8 LEU N N 8 121.234 121.234 120.148 1.086 18726 5358 1 8 . 1 1 8 8 LEU HA H 8 3.801 3.801 3.865 -0.064 18726 5359 1 8 . 1 1 8 8 LEU CA C 8 57.722 57.722 58.190 -0.467 18726 5360 1 8 . 1 1 8 8 LEU CB C 8 42.403 42.403 41.415 0.988 18726 5361 1 8 . 1 1 8 8 LEU H H 8 9.087 9.087 8.296 0.791 18726 5362 1 8 . 1 1 9 9 THR N N 9 116.094 116.094 112.481 3.613 18726 5363 1 8 . 1 1 9 9 THR HA H 9 3.513 3.513 3.966 -0.453 18726 5364 1 8 . 1 1 9 9 THR CA C 9 68.886 68.886 66.242 2.644 18726 5365 1 8 . 1 1 9 9 THR CB C 9 67.968 67.968 68.483 -0.515 18726 5366 1 8 . 1 1 9 9 THR H H 9 8.188 8.188 8.256 -0.068 18726 5367 1 8 . 1 1 10 10 SER N N 10 115.044 115.044 118.681 -3.637 18726 5368 1 8 . 1 1 10 10 SER HA H 10 4.154 4.154 4.157 -0.003 18726 5369 1 8 . 1 1 10 10 SER CA C 10 61.898 61.898 62.794 -0.896 18726 5370 1 8 . 1 1 10 10 SER CB C 10 62.900 62.900 63.098 -0.198 18726 5371 1 8 . 1 1 10 10 SER H H 10 7.801 7.801 8.247 -0.446 18726 5372 1 8 . 1 1 11 11 THR N N 11 119.022 119.022 119.369 -0.347 18726 5373 1 8 . 1 1 11 11 THR HA H 11 3.920 3.920 3.968 -0.048 18726 5374 1 8 . 1 1 11 11 THR CA C 11 67.747 67.747 66.980 0.767 18726 5375 1 8 . 1 1 11 11 THR CB C 11 68.804 68.804 68.617 0.187 18726 5376 1 8 . 1 1 11 11 THR H H 11 8.147 8.147 8.279 -0.132 18726 5377 1 8 . 1 1 12 12 LEU N N 12 120.609 120.609 122.106 -1.497 18726 5378 1 8 . 1 1 12 12 LEU HA H 12 3.890 3.890 3.908 -0.018 18726 5379 1 8 . 1 1 12 12 LEU CA C 12 58.265 58.265 58.135 0.130 18726 5380 1 8 . 1 1 12 12 LEU CB C 12 42.598 42.598 41.497 1.101 18726 5381 1 8 . 1 1 12 12 LEU H H 12 8.368 8.368 8.446 -0.078 18726 5382 1 8 . 1 1 13 13 ALA N N 13 119.231 119.231 120.460 -1.229 18726 5383 1 8 . 1 1 13 13 ALA HA H 13 3.816 3.816 4.002 -0.186 18726 5384 1 8 . 1 1 13 13 ALA CA C 13 55.729 55.729 54.903 0.826 18726 5385 1 8 . 1 1 13 13 ALA CB C 13 17.422 17.422 18.061 -0.639 18726 5386 1 8 . 1 1 13 13 ALA H H 13 8.755 8.755 8.285 0.470 18726 5387 1 8 . 1 1 14 14 SER N N 14 116.251 116.251 115.992 0.259 18726 5388 1 8 . 1 1 14 14 SER HA H 14 4.052 4.052 4.075 -0.023 18726 5389 1 8 . 1 1 14 14 SER CA C 14 62.079 62.079 62.351 -0.272 18726 5390 1 8 . 1 1 14 14 SER CB C 14 63.111 63.111 62.955 0.157 18726 5391 1 8 . 1 1 14 14 SER H H 14 8.318 8.318 7.651 0.667 18726 5392 1 8 . 1 1 15 15 ALA N N 15 121.629 121.629 123.430 -1.801 18726 5393 1 8 . 1 1 15 15 ALA HA H 15 4.166 4.166 4.086 0.080 18726 5394 1 8 . 1 1 15 15 ALA CA C 15 54.918 54.918 54.730 0.188 18726 5395 1 8 . 1 1 15 15 ALA CB C 15 18.397 18.397 18.561 -0.164 18726 5396 1 8 . 1 1 15 15 ALA H H 15 7.943 7.943 8.078 -0.135 18726 5397 1 8 . 1 1 16 16 LEU N N 16 112.541 112.541 118.141 -5.600 18726 5398 1 8 . 1 1 16 16 LEU HA H 16 3.885 3.885 4.089 -0.204 18726 5399 1 8 . 1 1 16 16 LEU CA C 16 57.731 57.731 56.896 0.835 18726 5400 1 8 . 1 1 16 16 LEU CB C 16 42.208 42.208 41.547 0.661 18726 5401 1 8 . 1 1 16 16 LEU H H 16 8.083 8.083 8.097 -0.014 18726 5402 1 8 . 1 1 17 17 THR N N 17 116.527 116.527 112.607 3.920 18726 5403 1 8 . 1 1 17 17 THR HA H 17 3.388 3.388 4.174 -0.786 18726 5404 1 8 . 1 1 17 17 THR CA C 17 67.972 67.972 64.814 3.158 18726 5405 1 8 . 1 1 17 17 THR CB C 17 68.860 68.860 69.114 -0.254 18726 5406 1 8 . 1 1 17 17 THR H H 17 8.044 8.044 7.795 0.249 18726 5407 1 8 . 1 1 18 18 LYS N N 18 115.841 115.841 118.469 -2.628 18726 5408 1 8 . 1 1 18 18 LYS HA H 18 4.142 4.142 4.516 -0.374 18726 5409 1 8 . 1 1 18 18 LYS CA C 18 56.859 56.859 55.320 1.539 18726 5410 1 8 . 1 1 18 18 LYS CB C 18 34.271 34.271 32.781 1.490 18726 5411 1 8 . 1 1 18 18 LYS H H 18 6.810 6.810 7.471 -0.661 18726 5412 1 8 . 1 1 19 19 THR N N 19 108.482 108.482 113.429 -4.947 18726 5413 1 8 . 1 1 19 19 THR HA H 19 4.088 4.088 4.832 -0.744 18726 5414 1 8 . 1 1 19 19 THR CA C 19 61.656 61.656 60.260 1.396 18726 5415 1 8 . 1 1 19 19 THR CB C 19 70.168 70.168 71.624 -1.456 18726 5416 1 8 . 1 1 19 19 THR H H 19 7.419 7.419 7.184 0.235 18726 5417 1 8 . 1 1 20 20 ASN N N 20 126.031 126.031 125.396 0.635 18726 5418 1 8 . 1 1 20 20 ASN HA H 20 4.304 4.304 4.324 -0.020 18726 5419 1 8 . 1 1 20 20 ASN CA C 20 57.247 57.247 56.734 0.513 18726 5420 1 8 . 1 1 20 20 ASN CB C 20 39.033 39.033 37.769 1.264 18726 5421 1 8 . 1 1 20 20 ASN H H 20 11.715 11.715 9.070 2.645 18726 5422 1 8 . 1 1 21 21 THR N N 21 119.223 119.223 117.216 2.007 18726 5423 1 8 . 1 1 21 21 THR HA H 21 3.723 3.723 4.056 -0.333 18726 5424 1 8 . 1 1 21 21 THR CA C 21 68.803 68.803 65.996 2.807 18726 5425 1 8 . 1 1 21 21 THR CB C 21 70.168 70.168 68.775 1.393 18726 5426 1 8 . 1 1 21 21 THR H H 21 10.495 10.495 9.065 1.430 18726 5427 1 8 . 1 1 22 22 LEU N N 22 119.484 119.484 120.640 -1.156 18726 5428 1 8 . 1 1 22 22 LEU HA H 22 3.920 3.920 4.393 -0.473 18726 5429 1 8 . 1 1 22 22 LEU CA C 22 57.360 57.360 56.487 0.873 18726 5430 1 8 . 1 1 22 22 LEU CB C 22 40.983 40.983 41.948 -0.965 18726 5431 1 8 . 1 1 22 22 LEU H H 22 7.908 7.908 8.307 -0.399 18726 5432 1 8 . 1 1 23 23 LYS N N 23 121.033 121.033 120.200 0.833 18726 5433 1 8 . 1 1 23 23 LYS HA H 23 3.843 3.843 3.924 -0.081 18726 5434 1 8 . 1 1 23 23 LYS CA C 23 61.078 61.078 60.125 0.953 18726 5435 1 8 . 1 1 23 23 LYS CB C 23 32.210 32.210 32.354 -0.144 18726 5436 1 8 . 1 1 23 23 LYS H H 23 7.968 7.968 8.646 -0.678 18726 5437 1 8 . 1 1 24 24 ALA N N 24 121.376 121.376 121.524 -0.148 18726 5438 1 8 . 1 1 24 24 ALA HA H 24 4.118 4.118 4.166 -0.048 18726 5439 1 8 . 1 1 24 24 ALA CA C 24 54.892 54.892 55.352 -0.460 18726 5440 1 8 . 1 1 24 24 ALA CB C 24 18.564 18.564 18.329 0.235 18726 5441 1 8 . 1 1 24 24 ALA H H 24 8.239 8.239 8.345 -0.106 18726 5442 1 8 . 1 1 25 25 VAL N N 25 118.009 118.009 115.075 2.934 18726 5443 1 8 . 1 1 25 25 VAL HA H 25 3.244 3.244 3.663 -0.419 18726 5444 1 8 . 1 1 25 25 VAL CA C 25 67.420 67.420 65.469 1.951 18726 5445 1 8 . 1 1 25 25 VAL CB C 25 31.904 31.904 31.030 0.874 18726 5446 1 8 . 1 1 25 25 VAL H H 25 7.972 7.972 7.476 0.496 18726 5447 1 8 . 1 1 26 26 SER N N 26 113.107 113.107 116.832 -3.725 18726 5448 1 8 . 1 1 26 26 SER HA H 26 3.645 3.645 3.864 -0.219 18726 5449 1 8 . 1 1 26 26 SER CA C 26 62.157 62.157 61.403 0.754 18726 5450 1 8 . 1 1 26 26 SER CB C 26 63.206 63.206 63.147 0.059 18726 5451 1 8 . 1 1 26 26 SER H H 26 8.092 8.092 8.227 -0.135 18726 5452 1 8 . 1 1 27 27 ALA N N 27 122.069 122.069 123.525 -1.456 18726 5453 1 8 . 1 1 27 27 ALA HA H 27 4.178 4.178 4.196 -0.018 18726 5454 1 8 . 1 1 27 27 ALA CA C 27 54.504 54.504 54.317 0.187 18726 5455 1 8 . 1 1 27 27 ALA CB C 27 18.676 18.676 18.322 0.354 18726 5456 1 8 . 1 1 27 27 ALA H H 27 8.224 8.224 7.875 0.349 18726 5457 1 8 . 1 1 28 28 SER N N 28 111.990 111.990 112.925 -0.935 18726 5458 1 8 . 1 1 28 28 SER HA H 28 4.298 4.298 4.224 0.074 18726 5459 1 8 . 1 1 28 28 SER CA C 28 60.051 60.051 58.990 1.061 18726 5460 1 8 . 1 1 28 28 SER CB C 28 64.376 64.376 63.381 0.995 18726 5461 1 8 . 1 1 28 28 SER H H 28 7.441 7.441 7.527 -0.086 18726 5462 1 8 . 1 1 29 29 LYS N N 29 116.653 116.653 120.805 -4.152 18726 5463 1 8 . 1 1 29 29 LYS HA H 29 4.010 4.010 4.097 -0.087 18726 5464 1 8 . 1 1 29 29 LYS CA C 29 56.859 56.859 56.504 0.355 18726 5465 1 8 . 1 1 29 29 LYS CB C 29 30.957 30.957 31.382 -0.425 18726 5466 1 8 . 1 1 29 29 LYS H H 29 7.725 7.725 7.559 0.166 18726 5467 1 8 . 1 1 30 30 PRO HA H 30 4.501 4.501 4.390 0.111 18726 5468 1 8 . 1 1 30 30 PRO CA C 30 62.709 62.709 63.918 -1.209 18726 5469 1 8 . 1 1 30 30 PRO CB C 30 30.906 30.906 32.214 -1.308 18726 5470 1 8 . 1 1 31 31 SER N N 31 115.595 115.595 111.307 4.288 18726 5471 1 8 . 1 1 31 31 SER HA H 31 4.286 4.286 4.485 -0.199 18726 5472 1 8 . 1 1 31 31 SER CA C 31 57.739 57.739 57.514 0.225 18726 5473 1 8 . 1 1 31 31 SER CB C 31 64.515 64.515 64.299 0.216 18726 5474 1 8 . 1 1 31 31 SER H H 31 8.349 8.349 7.843 0.506 18726 5475 1 8 . 1 1 32 32 ALA N N 32 124.266 124.266 125.410 -1.144 18726 5476 1 8 . 1 1 32 32 ALA HA H 32 4.351 4.351 4.102 0.249 18726 5477 1 8 . 1 1 32 32 ALA CA C 32 55.772 55.772 54.573 1.199 18726 5478 1 8 . 1 1 32 32 ALA CB C 32 18.954 18.954 18.768 0.186 18726 5479 1 8 . 1 1 32 32 ALA H H 32 9.039 9.039 8.831 0.208 18726 5480 1 8 . 1 1 33 33 ASN N N 33 111.722 111.722 116.344 -4.622 18726 5481 1 8 . 1 1 33 33 ASN HA H 33 4.274 4.274 4.514 -0.240 18726 5482 1 8 . 1 1 33 33 ASN CA C 33 56.402 56.402 55.884 0.518 18726 5483 1 8 . 1 1 33 33 ASN CB C 33 37.780 37.780 37.692 0.088 18726 5484 1 8 . 1 1 33 33 ASN H H 33 8.301 8.301 8.701 -0.400 18726 5485 1 8 . 1 1 34 34 VAL N N 34 123.804 123.804 120.284 3.520 18726 5486 1 8 . 1 1 34 34 VAL HA H 34 3.166 3.166 3.734 -0.568 18726 5487 1 8 . 1 1 34 34 VAL CA C 34 66.634 66.634 64.269 2.365 18726 5488 1 8 . 1 1 34 34 VAL CB C 34 31.347 31.347 31.481 -0.134 18726 5489 1 8 . 1 1 34 34 VAL H H 34 7.376 7.376 7.488 -0.112 18726 5490 1 8 . 1 1 35 35 ALA N N 35 122.314 122.314 122.921 -0.607 18726 5491 1 8 . 1 1 35 35 ALA HA H 35 3.591 3.591 3.850 -0.259 18726 5492 1 8 . 1 1 35 35 ALA CA C 35 56.255 56.255 55.458 0.797 18726 5493 1 8 . 1 1 35 35 ALA CB C 35 18.063 18.063 18.330 -0.267 18726 5494 1 8 . 1 1 35 35 ALA H H 35 8.558 8.558 8.565 -0.007 18726 5495 1 8 . 1 1 36 36 VAL N N 36 115.595 115.595 117.876 -2.281 18726 5496 1 8 . 1 1 36 36 VAL HA H 36 3.316 3.316 3.710 -0.394 18726 5497 1 8 . 1 1 36 36 VAL CA C 36 67.756 67.756 65.824 1.932 18726 5498 1 8 . 1 1 36 36 VAL CB C 36 32.099 32.099 30.954 1.145 18726 5499 1 8 . 1 1 36 36 VAL H H 36 8.507 8.507 7.592 0.915 18726 5500 1 8 . 1 1 37 37 ALA N N 37 126.247 126.247 123.767 2.480 18726 5501 1 8 . 1 1 37 37 ALA HA H 37 4.040 4.040 4.239 -0.199 18726 5502 1 8 . 1 1 37 37 ALA CA C 37 56.048 56.048 54.920 1.128 18726 5503 1 8 . 1 1 37 37 ALA CB C 37 18.091 18.091 18.588 -0.497 18726 5504 1 8 . 1 1 37 37 ALA H H 37 7.801 7.801 7.335 0.466 18726 5505 1 8 . 1 1 38 38 ILE N N 38 118.344 118.344 119.064 -0.720 18726 5506 1 8 . 1 1 38 38 ILE HA H 38 3.561 3.561 3.774 -0.213 18726 5507 1 8 . 1 1 38 38 ILE CA C 38 66.263 66.263 65.437 0.826 18726 5508 1 8 . 1 1 38 38 ILE CB C 38 39.395 39.395 38.153 1.242 18726 5509 1 8 . 1 1 38 38 ILE H H 38 8.305 8.305 7.959 0.346 18726 5510 1 8 . 1 1 39 39 VAL N N 39 117.264 117.264 120.351 -3.087 18726 5511 1 8 . 1 1 39 39 VAL HA H 39 3.573 3.573 3.720 -0.147 18726 5512 1 8 . 1 1 39 39 VAL CA C 39 67.074 67.074 66.082 0.992 18726 5513 1 8 . 1 1 39 39 VAL CB C 39 32.127 32.127 31.921 0.206 18726 5514 1 8 . 1 1 39 39 VAL H H 39 8.331 8.331 8.080 0.251 18726 5515 1 8 . 1 1 40 40 THR N N 40 112.303 112.303 114.059 -1.756 18726 5516 1 8 . 1 1 40 40 THR HA H 40 3.831 3.831 3.902 -0.071 18726 5517 1 8 . 1 1 40 40 THR CA C 40 67.152 67.152 66.840 0.312 18726 5518 1 8 . 1 1 40 40 THR CB C 40 68.776 68.776 68.256 0.520 18726 5519 1 8 . 1 1 40 40 THR H H 40 9.029 9.029 8.374 0.655 18726 5520 1 8 . 1 1 41 41 SER N N 41 117.085 117.085 118.576 -1.491 18726 5521 1 8 . 1 1 41 41 SER HA H 41 4.274 4.274 4.092 0.182 18726 5522 1 8 . 1 1 41 41 SER CA C 41 62.182 62.182 61.769 0.413 18726 5523 1 8 . 1 1 41 41 SER CB C 41 63.067 63.067 62.998 0.069 18726 5524 1 8 . 1 1 41 41 SER H H 41 7.599 7.599 7.801 -0.202 18726 5525 1 8 . 1 1 42 42 GLY N N 42 107.258 107.258 109.452 -2.194 18726 5526 1 8 . 1 1 42 42 GLY CA C 42 47.917 47.917 46.752 1.165 18726 5527 1 8 . 1 1 42 42 GLY H H 42 7.599 7.599 7.575 0.024 18726 5528 1 8 . 1 1 43 43 LEU N N 43 122.262 122.262 123.280 -1.018 18726 5529 1 8 . 1 1 43 43 LEU HA H 43 3.914 3.914 4.041 -0.127 18726 5530 1 8 . 1 1 43 43 LEU CA C 43 57.782 57.782 58.314 -0.532 18726 5531 1 8 . 1 1 43 43 LEU CB C 43 42.876 42.876 41.752 1.123 18726 5532 1 8 . 1 1 43 43 LEU H H 43 8.595 8.595 8.464 0.131 18726 5533 1 8 . 1 1 44 44 LYS N N 44 118.851 118.851 119.059 -0.208 18726 5534 1 8 . 1 1 44 44 LYS HA H 44 3.855 3.855 4.007 -0.152 18726 5535 1 8 . 1 1 44 44 LYS CA C 44 60.604 60.604 59.797 0.807 18726 5536 1 8 . 1 1 44 44 LYS CB C 44 32.322 32.322 32.227 0.095 18726 5537 1 8 . 1 1 44 44 LYS H H 44 8.589 8.589 8.276 0.313 18726 5538 1 8 . 1 1 45 45 LYS N N 45 118.322 118.322 120.039 -1.717 18726 5539 1 8 . 1 1 45 45 LYS HA H 45 4.160 4.160 4.026 0.134 18726 5540 1 8 . 1 1 45 45 LYS CA C 45 58.326 58.326 59.025 -0.699 18726 5541 1 8 . 1 1 45 45 LYS CB C 45 32.492 32.492 32.121 0.371 18726 5542 1 8 . 1 1 45 45 LYS H H 45 7.189 7.189 7.599 -0.410 18726 5543 1 8 . 1 1 46 46 ALA N N 46 121.301 121.301 122.060 -0.759 18726 5544 1 8 . 1 1 46 46 ALA HA H 46 3.831 3.831 4.087 -0.256 18726 5545 1 8 . 1 1 46 46 ALA CA C 46 55.539 55.539 55.085 0.454 18726 5546 1 8 . 1 1 46 46 ALA CB C 46 20.152 20.152 18.512 1.640 18726 5547 1 8 . 1 1 46 46 ALA H H 46 8.060 8.060 8.236 -0.176 18726 5548 1 8 . 1 1 47 47 LEU N N 47 116.206 116.206 117.226 -1.020 18726 5549 1 8 . 1 1 47 47 LEU HA H 47 3.902 3.902 4.005 -0.103 18726 5550 1 8 . 1 1 47 47 LEU CA C 47 57.929 57.929 57.375 0.554 18726 5551 1 8 . 1 1 47 47 LEU CB C 47 40.426 40.426 41.618 -1.192 18726 5552 1 8 . 1 1 47 47 LEU H H 47 9.045 9.045 8.098 0.947 18726 5553 1 8 . 1 1 48 48 GLY N N 48 106.001 106.001 106.675 -0.674 18726 5554 1 8 . 1 1 48 48 GLY CA C 48 46.859 46.859 46.808 0.051 18726 5555 1 8 . 1 1 48 48 GLY H H 48 7.739 7.739 8.132 -0.393 18726 5556 1 8 . 1 1 49 49 ALA N N 49 125.570 125.570 124.442 1.128 18726 5557 1 8 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.395 -0.217 18726 5558 1 8 . 1 1 49 49 ALA CA C 49 54.573 54.573 53.797 0.776 18726 5559 1 8 . 1 1 49 49 ALA CB C 49 18.369 18.369 18.750 -0.381 18726 5560 1 8 . 1 1 49 49 ALA H H 49 7.763 7.763 7.961 -0.198 18726 5561 1 8 . 1 1 50 50 LEU N N 50 116.176 116.176 116.876 -0.700 18726 5562 1 8 . 1 1 50 50 LEU HA H 50 4.178 4.178 4.424 -0.246 18726 5563 1 8 . 1 1 50 50 LEU CA C 50 54.961 54.961 53.704 1.257 18726 5564 1 8 . 1 1 50 50 LEU CB C 50 44.213 44.213 42.251 1.962 18726 5565 1 8 . 1 1 50 50 LEU H H 50 7.519 7.519 7.328 0.191 18726 5566 1 8 . 1 1 51 51 ARG N N 51 115.327 115.327 114.826 0.501 18726 5567 1 8 . 1 1 51 51 ARG HA H 51 3.920 3.920 3.913 0.007 18726 5568 1 8 . 1 1 51 51 ARG CA C 51 56.894 56.894 56.674 0.220 18726 5569 1 8 . 1 1 51 51 ARG CB C 51 27.559 27.559 26.759 0.800 18726 5570 1 8 . 1 1 51 51 ARG H H 51 7.782 7.782 7.411 0.371 18726 5571 1 8 . 1 1 52 52 ILE N N 52 118.612 118.612 118.846 -0.234 18726 5572 1 8 . 1 1 52 52 ILE HA H 52 4.052 4.052 3.944 0.108 18726 5573 1 8 . 1 1 52 52 ILE CA C 52 59.465 59.465 60.161 -0.696 18726 5574 1 8 . 1 1 52 52 ILE CB C 52 36.778 36.778 37.110 -0.332 18726 5575 1 8 . 1 1 52 52 ILE H H 52 7.381 7.381 7.982 -0.601 18726 5576 1 8 . 1 1 53 53 ASN N N 53 124.728 124.728 125.013 -0.285 18726 5577 1 8 . 1 1 53 53 ASN HA H 53 4.435 4.435 4.485 -0.050 18726 5578 1 8 . 1 1 53 53 ASN CA C 53 54.219 54.219 53.738 0.481 18726 5579 1 8 . 1 1 53 53 ASN CB C 53 39.897 39.897 39.965 -0.068 18726 5580 1 8 . 1 1 53 53 ASN H H 53 8.503 8.503 8.688 -0.185 18726 5581 1 8 . 1 1 54 54 ALA HA H 54 4.064 4.064 4.044 0.020 18726 5582 1 8 . 1 1 54 54 ALA CA C 54 55.772 55.772 54.718 1.054 18726 5583 1 8 . 1 1 54 54 ALA CB C 54 18.926 18.926 19.040 -0.114 18726 5584 1 8 . 1 1 55 55 GLY N N 55 108.675 108.675 106.694 1.981 18726 5585 1 8 . 1 1 55 55 GLY CA C 55 47.165 47.165 47.145 0.020 18726 5586 1 8 . 1 1 55 55 GLY H H 55 8.479 8.479 8.807 -0.328 18726 5587 1 8 . 1 1 56 56 VAL N N 56 124.251 124.251 120.727 3.524 18726 5588 1 8 . 1 1 56 56 VAL HA H 56 3.687 3.687 3.873 -0.186 18726 5589 1 8 . 1 1 56 56 VAL CA C 56 66.160 66.160 63.952 2.208 18726 5590 1 8 . 1 1 56 56 VAL CB C 56 31.598 31.598 31.597 0.001 18726 5591 1 8 . 1 1 56 56 VAL H H 56 8.035 8.035 7.565 0.470 18726 5592 1 8 . 1 1 57 57 SER N N 57 115.290 115.290 114.922 0.368 18726 5593 1 8 . 1 1 57 57 SER HA H 57 3.992 3.992 4.156 -0.164 18726 5594 1 8 . 1 1 57 57 SER CA C 57 62.881 62.881 61.561 1.320 18726 5595 1 8 . 1 1 57 57 SER CB C 57 62.733 62.733 62.636 0.097 18726 5596 1 8 . 1 1 57 57 SER H H 57 8.551 8.551 8.518 0.033 18726 5597 1 8 . 1 1 58 58 SER N N 58 117.711 117.711 117.900 -0.189 18726 5598 1 8 . 1 1 58 58 SER HA H 58 4.238 4.238 4.253 -0.015 18726 5599 1 8 . 1 1 58 58 SER CA C 58 61.656 61.656 61.411 0.245 18726 5600 1 8 . 1 1 58 58 SER CB C 58 62.800 62.800 63.107 -0.307 18726 5601 1 8 . 1 1 58 58 SER H H 58 8.176 8.176 7.787 0.389 18726 5602 1 8 . 1 1 59 59 GLN N N 59 122.746 122.746 121.259 1.487 18726 5603 1 8 . 1 1 59 59 GLN HA H 59 4.046 4.046 4.099 -0.053 18726 5604 1 8 . 1 1 59 59 GLN CA C 59 59.249 59.249 58.361 0.888 18726 5605 1 8 . 1 1 59 59 GLN CB C 59 28.980 28.980 28.480 0.500 18726 5606 1 8 . 1 1 59 59 GLN H H 59 7.737 7.737 7.571 0.166 18726 5607 1 8 . 1 1 60 60 LEU N N 60 121.748 121.748 121.823 -0.075 18726 5608 1 8 . 1 1 60 60 LEU HA H 60 3.980 3.980 4.119 -0.139 18726 5609 1 8 . 1 1 60 60 LEU CA C 60 60.483 60.483 58.298 2.185 18726 5610 1 8 . 1 1 60 60 LEU CB C 60 43.378 43.378 42.236 1.142 18726 5611 1 8 . 1 1 60 60 LEU H H 60 8.804 8.804 8.190 0.614 18726 5612 1 8 . 1 1 61 61 THR N N 61 114.366 114.366 114.503 -0.137 18726 5613 1 8 . 1 1 61 61 THR HA H 61 3.675 3.675 3.982 -0.307 18726 5614 1 8 . 1 1 61 61 THR CA C 61 67.713 67.713 66.757 0.956 18726 5615 1 8 . 1 1 61 61 THR CB C 61 67.968 67.968 68.428 -0.460 18726 5616 1 8 . 1 1 61 61 THR H H 61 8.654 8.654 7.657 0.997 18726 5617 1 8 . 1 1 62 62 SER N N 62 119.141 119.141 118.785 0.356 18726 5618 1 8 . 1 1 62 62 SER HA H 62 4.232 4.232 4.247 -0.015 18726 5619 1 8 . 1 1 62 62 SER CA C 62 62.217 62.217 62.056 0.161 18726 5620 1 8 . 1 1 62 62 SER CB C 62 62.900 62.900 63.072 -0.172 18726 5621 1 8 . 1 1 62 62 SER H H 62 8.161 8.161 7.532 0.629 18726 5622 1 8 . 1 1 63 63 ALA N N 63 124.393 124.393 124.458 -0.065 18726 5623 1 8 . 1 1 63 63 ALA HA H 63 4.178 4.178 4.193 -0.015 18726 5624 1 8 . 1 1 63 63 ALA CA C 63 55.418 55.418 55.017 0.401 18726 5625 1 8 . 1 1 63 63 ALA CB C 63 19.066 19.066 18.285 0.781 18726 5626 1 8 . 1 1 63 63 ALA H H 63 7.921 7.921 8.049 -0.128 18726 5627 1 8 . 1 1 64 64 VAL N N 64 118.888 118.888 118.877 0.011 18726 5628 1 8 . 1 1 64 64 VAL HA H 64 3.765 3.765 3.732 0.033 18726 5629 1 8 . 1 1 64 64 VAL CA C 64 66.419 66.419 65.990 0.429 18726 5630 1 8 . 1 1 64 64 VAL CB C 64 31.966 31.966 30.732 1.234 18726 5631 1 8 . 1 1 64 64 VAL H H 64 8.548 8.548 8.321 0.227 18726 5632 1 8 . 1 1 65 65 SER N N 65 115.469 115.469 114.558 0.911 18726 5633 1 8 . 1 1 65 65 SER HA H 65 3.920 3.920 4.096 -0.176 18726 5634 1 8 . 1 1 65 65 SER CA C 65 63.235 63.235 61.888 1.347 18726 5635 1 8 . 1 1 65 65 SER CB C 65 63.291 63.291 62.847 0.444 18726 5636 1 8 . 1 1 65 65 SER H H 65 8.360 8.360 8.158 0.202 18726 5637 1 8 . 1 1 66 66 GLN N N 66 118.918 118.918 122.974 -4.056 18726 5638 1 8 . 1 1 66 66 GLN HA H 66 3.938 3.938 4.059 -0.121 18726 5639 1 8 . 1 1 66 66 GLN CA C 66 58.844 58.844 58.561 0.283 18726 5640 1 8 . 1 1 66 66 GLN CB C 66 28.810 28.810 28.317 0.493 18726 5641 1 8 . 1 1 66 66 GLN H H 66 7.676 7.676 7.696 -0.020 18726 5642 1 8 . 1 1 67 67 ALA N N 67 120.720 120.720 121.659 -0.939 18726 5643 1 8 . 1 1 67 67 ALA HA H 67 4.154 4.154 4.042 0.112 18726 5644 1 8 . 1 1 67 67 ALA CA C 67 55.323 55.323 54.939 0.384 18726 5645 1 8 . 1 1 67 67 ALA CB C 67 19.483 19.483 18.446 1.037 18726 5646 1 8 . 1 1 67 67 ALA H H 67 7.390 7.390 7.907 -0.517 18726 5647 1 8 . 1 1 68 68 VAL N N 68 119.335 119.335 116.783 2.552 18726 5648 1 8 . 1 1 68 68 VAL HA H 68 3.447 3.447 3.557 -0.110 18726 5649 1 8 . 1 1 68 68 VAL CA C 68 66.591 66.591 65.795 0.796 18726 5650 1 8 . 1 1 68 68 VAL CB C 68 31.514 31.514 31.745 -0.231 18726 5651 1 8 . 1 1 68 68 VAL H H 68 9.069 9.069 8.156 0.913 18726 5652 1 8 . 1 1 69 69 ALA N N 69 122.568 122.568 119.372 3.196 18726 5653 1 8 . 1 1 69 69 ALA HA H 69 3.962 3.962 4.315 -0.353 18726 5654 1 8 . 1 1 69 69 ALA CA C 69 54.512 54.512 53.558 0.954 18726 5655 1 8 . 1 1 69 69 ALA CB C 69 18.035 18.035 18.632 -0.597 18726 5656 1 8 . 1 1 69 69 ALA H H 69 8.370 8.370 7.539 0.831 18726 5657 1 8 . 1 1 70 70 ASN N N 70 113.242 113.242 116.070 -2.828 18726 5658 1 8 . 1 1 70 70 ASN HA H 70 4.651 4.651 4.711 -0.060 18726 5659 1 8 . 1 1 70 70 ASN CA C 70 52.994 52.994 53.606 -0.612 18726 5660 1 8 . 1 1 70 70 ASN CB C 70 39.897 39.897 39.455 0.442 18726 5661 1 8 . 1 1 70 70 ASN H H 70 6.987 6.987 7.573 -0.586 18726 5662 1 8 . 1 1 71 71 VAL N N 71 122.456 122.456 119.403 3.053 18726 5663 1 8 . 1 1 71 71 VAL HA H 71 3.591 3.591 3.698 -0.107 18726 5664 1 8 . 1 1 71 71 VAL CA C 71 63.037 63.037 63.586 -0.549 18726 5665 1 8 . 1 1 71 71 VAL CB C 71 31.598 31.598 31.867 -0.269 18726 5666 1 8 . 1 1 71 71 VAL H H 71 7.284 7.284 7.647 -0.363 18726 5667 1 8 . 1 1 72 72 ARG N N 72 108.757 108.757 115.594 -6.837 18726 5668 1 8 . 1 1 72 72 ARG HA H 72 4.387 4.387 4.025 0.362 18726 5669 1 8 . 1 1 72 72 ARG CA C 72 54.487 54.487 55.888 -1.401 18726 5670 1 8 . 1 1 72 72 ARG CB C 72 29.840 29.840 29.438 0.402 18726 5671 1 8 . 1 1 72 72 ARG H H 72 8.700 8.700 8.013 0.687 18726 5672 1 8 . 1 1 73 73 PRO HA H 73 4.399 4.399 4.782 -0.383 18726 5673 1 8 . 1 1 73 73 PRO CA C 73 64.339 64.339 62.960 1.379 18726 5674 1 8 . 1 1 73 73 PRO CB C 73 32.043 32.043 32.326 -0.283 18726 5675 1 8 . 1 1 74 74 GLY N N 74 111.647 111.647 110.972 0.675 18726 5676 1 8 . 1 1 74 74 GLY CA C 74 45.188 45.188 45.041 0.147 18726 5677 1 8 . 1 1 74 74 GLY H H 74 9.447 9.447 8.758 0.689 18726 5678 1 8 . 1 1 75 75 SER N N 75 116.057 116.057 116.410 -0.353 18726 5679 1 8 . 1 1 75 75 SER HA H 75 4.477 4.477 4.715 -0.238 18726 5680 1 8 . 1 1 75 75 SER CA C 75 60.509 60.509 56.964 3.545 18726 5681 1 8 . 1 1 75 75 SER CB C 75 64.710 64.710 65.200 -0.490 18726 5682 1 8 . 1 1 75 75 SER H H 75 7.600 7.600 7.968 -0.368 18726 5683 1 8 . 1 1 76 76 SER N N 76 118.456 118.456 118.199 0.257 18726 5684 1 8 . 1 1 76 76 SER HA H 76 4.693 4.693 4.533 0.160 18726 5685 1 8 . 1 1 76 76 SER CA C 76 57.247 57.247 57.199 0.048 18726 5686 1 8 . 1 1 76 76 SER CB C 76 63.011 63.011 63.631 -0.620 18726 5687 1 8 . 1 1 76 76 SER H H 76 8.726 8.726 8.768 -0.042 18726 5688 1 8 . 1 1 77 77 PRO HA H 77 4.262 4.262 4.410 -0.148 18726 5689 1 8 . 1 1 77 77 PRO CA C 77 66.565 66.565 64.570 1.994 18726 5690 1 8 . 1 1 77 77 PRO CB C 77 32.350 32.350 31.896 0.453 18726 5691 1 8 . 1 1 78 78 ALA N N 78 117.189 117.189 121.498 -4.309 18726 5692 1 8 . 1 1 78 78 ALA HA H 78 4.513 4.513 4.268 0.245 18726 5693 1 8 . 1 1 78 78 ALA CA C 78 54.590 54.590 54.556 0.034 18726 5694 1 8 . 1 1 78 78 ALA CB C 78 18.982 18.982 18.563 0.419 18726 5695 1 8 . 1 1 78 78 ALA H H 78 8.085 8.085 8.301 -0.216 18726 5696 1 8 . 1 1 79 79 VAL N N 79 119.946 119.946 116.225 3.721 18726 5697 1 8 . 1 1 79 79 VAL HA H 79 3.609 3.609 3.727 -0.118 18726 5698 1 8 . 1 1 79 79 VAL CA C 79 66.307 66.307 65.528 0.779 18726 5699 1 8 . 1 1 79 79 VAL CB C 79 31.820 31.820 30.302 1.518 18726 5700 1 8 . 1 1 79 79 VAL H H 79 7.741 7.741 7.555 0.186 18726 5701 1 8 . 1 1 80 80 TYR N N 80 117.577 117.577 120.530 -2.953 18726 5702 1 8 . 1 1 80 80 TYR HA H 80 3.867 3.867 4.101 -0.234 18726 5703 1 8 . 1 1 80 80 TYR CA C 80 63.675 63.675 62.324 1.351 18726 5704 1 8 . 1 1 80 80 TYR CB C 80 39.924 39.924 37.832 2.092 18726 5705 1 8 . 1 1 80 80 TYR H H 80 7.207 7.207 7.562 -0.355 18726 5706 1 8 . 1 1 81 81 ALA N N 81 118.761 118.761 119.576 -0.815 18726 5707 1 8 . 1 1 81 81 ALA HA H 81 3.711 3.711 3.939 -0.228 18726 5708 1 8 . 1 1 81 81 ALA CA C 81 55.781 55.781 55.112 0.669 18726 5709 1 8 . 1 1 81 81 ALA CB C 81 20.792 20.792 18.235 2.557 18726 5710 1 8 . 1 1 81 81 ALA H H 81 8.962 8.962 7.918 1.044 18726 5711 1 8 . 1 1 82 82 LYS N N 82 117.778 117.778 119.326 -1.548 18726 5712 1 8 . 1 1 82 82 LYS HA H 82 3.807 3.807 4.102 -0.295 18726 5713 1 8 . 1 1 82 82 LYS CA C 82 60.155 60.155 58.843 1.312 18726 5714 1 8 . 1 1 82 82 LYS CB C 82 32.322 32.322 32.578 -0.256 18726 5715 1 8 . 1 1 82 82 LYS H H 82 7.727 7.727 7.774 -0.047 18726 5716 1 8 . 1 1 83 83 ALA N N 83 120.810 120.810 120.781 0.029 18726 5717 1 8 . 1 1 83 83 ALA HA H 83 4.022 4.022 4.177 -0.155 18726 5718 1 8 . 1 1 83 83 ALA CA C 83 54.366 54.366 54.739 -0.373 18726 5719 1 8 . 1 1 83 83 ALA CB C 83 18.453 18.453 18.217 0.236 18726 5720 1 8 . 1 1 83 83 ALA H H 83 7.182 7.182 8.122 -0.940 18726 5721 1 8 . 1 1 84 84 ILE N N 84 109.964 109.964 113.917 -3.953 18726 5722 1 8 . 1 1 84 84 ILE HA H 84 3.861 3.861 3.978 -0.117 18726 5723 1 8 . 1 1 84 84 ILE CA C 84 63.373 63.373 61.972 1.401 18726 5724 1 8 . 1 1 84 84 ILE CB C 84 40.342 40.342 38.616 1.726 18726 5725 1 8 . 1 1 84 84 ILE H H 84 7.109 7.109 7.123 -0.014 18726 5726 1 8 . 1 1 85 85 ALA N N 85 120.162 120.162 121.164 -1.002 18726 5727 1 8 . 1 1 85 85 ALA HA H 85 3.777 3.777 4.332 -0.555 18726 5728 1 8 . 1 1 85 85 ALA CA C 85 55.789 55.789 54.097 1.692 18726 5729 1 8 . 1 1 85 85 ALA CB C 85 20.931 20.931 19.633 1.298 18726 5730 1 8 . 1 1 85 85 ALA H H 85 8.770 8.770 7.551 1.219 18726 5731 1 8 . 1 1 86 86 ALA N N 86 116.824 116.824 123.072 -6.248 18726 5732 1 8 . 1 1 86 86 ALA HA H 86 4.310 4.310 4.075 0.235 18726 5733 1 8 . 1 1 86 86 ALA CA C 86 56.756 56.756 56.717 0.039 18726 5734 1 8 . 1 1 86 86 ALA CB C 86 15.417 15.417 16.371 -0.954 18726 5735 1 8 . 1 1 86 86 ALA H H 86 8.513 8.513 8.580 -0.067 18726 5736 1 8 . 1 1 87 87 PRO HA H 87 4.405 4.405 4.230 0.175 18726 5737 1 8 . 1 1 87 87 PRO CA C 87 65.185 65.185 64.963 0.222 18726 5738 1 8 . 1 1 87 87 PRO CB C 87 30.734 30.734 31.181 -0.447 18726 5739 1 8 . 1 1 88 88 SER N N 88 108.653 108.653 114.075 -5.422 18726 5740 1 8 . 1 1 88 88 SER HA H 88 3.861 3.861 4.271 -0.410 18726 5741 1 8 . 1 1 88 88 SER CA C 88 62.735 62.735 61.067 1.668 18726 5742 1 8 . 1 1 88 88 SER CB C 88 63.039 63.039 63.152 -0.113 18726 5743 1 8 . 1 1 88 88 SER H H 88 6.474 6.474 7.716 -1.242 18726 5744 1 8 . 1 1 89 89 VAL N N 89 120.951 120.951 120.697 0.254 18726 5745 1 8 . 1 1 89 89 VAL HA H 89 3.226 3.226 3.810 -0.584 18726 5746 1 8 . 1 1 89 89 VAL CA C 89 67.644 67.644 65.812 1.832 18726 5747 1 8 . 1 1 89 89 VAL CB C 89 30.929 30.929 30.759 0.170 18726 5748 1 8 . 1 1 89 89 VAL H H 89 8.220 8.220 8.577 -0.357 18726 5749 1 8 . 1 1 90 90 GLN N N 90 117.435 117.435 120.206 -2.771 18726 5750 1 8 . 1 1 90 90 GLN HA H 90 3.873 3.873 4.074 -0.201 18726 5751 1 8 . 1 1 90 90 GLN CA C 90 59.818 59.818 58.782 1.036 18726 5752 1 8 . 1 1 90 90 GLN CB C 90 28.256 28.256 28.171 0.085 18726 5753 1 8 . 1 1 90 90 GLN H H 90 7.922 7.922 8.085 -0.163 18726 5754 1 8 . 1 1 91 91 ILE N N 91 117.875 117.875 120.733 -2.858 18726 5755 1 8 . 1 1 91 91 ILE HA H 91 4.052 4.052 3.878 0.174 18726 5756 1 8 . 1 1 91 91 ILE CA C 91 63.201 63.201 64.176 -0.975 18726 5757 1 8 . 1 1 91 91 ILE CB C 91 37.613 37.613 38.389 -0.776 18726 5758 1 8 . 1 1 91 91 ILE H H 91 7.532 7.532 7.389 0.143 18726 5759 1 8 . 1 1 92 92 LEU N N 92 123.357 123.357 120.627 2.730 18726 5760 1 8 . 1 1 92 92 LEU HA H 92 3.807 3.807 3.983 -0.176 18726 5761 1 8 . 1 1 92 92 LEU CA C 92 59.171 59.171 58.350 0.821 18726 5762 1 8 . 1 1 92 92 LEU CB C 92 41.205 41.205 41.920 -0.715 18726 5763 1 8 . 1 1 92 92 LEU H H 92 8.481 8.481 8.300 0.181 18726 5764 1 8 . 1 1 93 93 VAL N N 93 118.180 118.180 118.232 -0.052 18726 5765 1 8 . 1 1 93 93 VAL HA H 93 3.873 3.873 3.823 0.050 18726 5766 1 8 . 1 1 93 93 VAL CA C 93 66.496 66.496 64.526 1.970 18726 5767 1 8 . 1 1 93 93 VAL CB C 93 31.765 31.765 31.861 -0.096 18726 5768 1 8 . 1 1 93 93 VAL H H 93 8.777 8.777 8.224 0.553 18726 5769 1 8 . 1 1 94 94 SER N N 94 118.471 118.471 114.663 3.808 18726 5770 1 8 . 1 1 94 94 SER HA H 94 4.226 4.226 4.271 -0.045 18726 5771 1 8 . 1 1 94 94 SER CA C 94 62.390 62.390 60.662 1.728 18726 5772 1 8 . 1 1 94 94 SER CB C 94 62.733 62.733 63.233 -0.500 18726 5773 1 8 . 1 1 94 94 SER H H 94 8.660 8.660 7.638 1.022 18726 5774 1 8 . 1 1 95 95 SER N N 95 112.698 112.698 115.195 -2.497 18726 5775 1 8 . 1 1 95 95 SER HA H 95 4.441 4.441 4.537 -0.096 18726 5776 1 8 . 1 1 95 95 SER CA C 95 59.301 59.301 58.359 0.942 18726 5777 1 8 . 1 1 95 95 SER CB C 95 65.935 65.935 64.115 1.820 18726 5778 1 8 . 1 1 95 95 SER H H 95 8.048 8.048 7.818 0.230 18726 5779 1 8 . 1 1 96 96 GLY N N 96 110.277 110.277 110.285 -0.008 18726 5780 1 8 . 1 1 96 96 GLY CA C 96 45.968 45.968 46.035 -0.067 18726 5781 1 8 . 1 1 96 96 GLY H H 96 7.955 7.955 7.311 0.644 18726 5782 1 8 . 1 1 97 97 SER N N 97 115.595 115.595 115.298 0.297 18726 5783 1 8 . 1 1 97 97 SER HA H 97 4.292 4.292 4.180 0.112 18726 5784 1 8 . 1 1 97 97 SER CA C 97 61.535 61.535 60.517 1.018 18726 5785 1 8 . 1 1 97 97 SER CB C 97 64.042 64.042 63.764 0.278 18726 5786 1 8 . 1 1 97 97 SER H H 97 8.216 8.216 7.963 0.253 18726 5787 1 8 . 1 1 98 98 VAL N N 98 116.579 116.579 115.752 0.827 18726 5788 1 8 . 1 1 98 98 VAL HA H 98 4.884 4.884 4.378 0.506 18726 5789 1 8 . 1 1 98 98 VAL CA C 98 59.111 59.111 60.627 -1.516 18726 5790 1 8 . 1 1 98 98 VAL CB C 98 35.051 35.051 34.558 0.493 18726 5791 1 8 . 1 1 98 98 VAL H H 98 7.288 7.288 7.380 -0.092 18726 5792 1 8 . 1 1 99 99 ASN N N 99 123.722 123.722 123.062 0.660 18726 5793 1 8 . 1 1 99 99 ASN HA H 99 4.627 4.627 4.878 -0.251 18726 5794 1 8 . 1 1 99 99 ASN CA C 99 51.838 51.838 51.650 0.188 18726 5795 1 8 . 1 1 99 99 ASN CB C 99 40.676 40.676 40.745 -0.070 18726 5796 1 8 . 1 1 99 99 ASN H H 99 9.179 9.179 8.520 0.659 18726 5797 1 8 . 1 1 100 100 ASN N N 100 115.148 115.148 118.611 -3.463 18726 5798 1 8 . 1 1 100 100 ASN HA H 100 4.292 4.292 4.693 -0.401 18726 5799 1 8 . 1 1 100 100 ASN CA C 100 56.894 56.894 53.778 3.116 18726 5800 1 8 . 1 1 100 100 ASN CB C 100 38.281 38.281 36.665 1.616 18726 5801 1 8 . 1 1 100 100 ASN H H 100 8.667 8.667 8.752 -0.085 18726 5802 1 8 . 1 1 101 101 ASN N N 101 115.201 115.201 115.903 -0.702 18726 5803 1 8 . 1 1 101 101 ASN HA H 101 4.711 4.711 4.686 0.025 18726 5804 1 8 . 1 1 101 101 ASN CA C 101 55.306 55.306 54.513 0.793 18726 5805 1 8 . 1 1 101 101 ASN CB C 101 39.256 39.256 39.752 -0.496 18726 5806 1 8 . 1 1 101 101 ASN H H 101 8.471 8.471 8.161 0.310 18726 5807 1 8 . 1 1 102 102 ASN N N 102 116.780 116.780 118.843 -2.063 18726 5808 1 8 . 1 1 102 102 ASN HA H 102 5.124 5.124 4.895 0.229 18726 5809 1 8 . 1 1 102 102 ASN CA C 102 51.950 51.950 53.516 -1.566 18726 5810 1 8 . 1 1 102 102 ASN CB C 102 39.089 39.089 39.659 -0.570 18726 5811 1 8 . 1 1 102 102 ASN H H 102 7.854 7.854 7.928 -0.074 18726 5812 1 8 . 1 1 103 103 ALA N N 103 121.808 121.808 123.638 -1.830 18726 5813 1 8 . 1 1 103 103 ALA HA H 103 3.747 3.747 3.936 -0.189 18726 5814 1 8 . 1 1 103 103 ALA CA C 103 57.058 57.058 55.660 1.398 18726 5815 1 8 . 1 1 103 103 ALA CB C 103 19.511 19.511 18.446 1.065 18726 5816 1 8 . 1 1 103 103 ALA H H 103 7.447 7.447 7.824 -0.377 18726 5817 1 8 . 1 1 104 104 LYS N N 104 114.873 114.873 117.620 -2.747 18726 5818 1 8 . 1 1 104 104 LYS HA H 104 3.992 3.992 4.234 -0.242 18726 5819 1 8 . 1 1 104 104 LYS CA C 104 60.284 60.284 59.379 0.905 18726 5820 1 8 . 1 1 104 104 LYS CB C 104 32.322 32.322 31.764 0.558 18726 5821 1 8 . 1 1 104 104 LYS H H 104 8.344 8.344 8.340 0.004 18726 5822 1 8 . 1 1 105 105 GLN N N 105 120.720 120.720 119.778 0.942 18726 5823 1 8 . 1 1 105 105 GLN HA H 105 4.094 4.094 4.145 -0.051 18726 5824 1 8 . 1 1 105 105 GLN CA C 105 59.137 59.137 59.795 -0.659 18726 5825 1 8 . 1 1 105 105 GLN CB C 105 28.339 28.339 28.652 -0.313 18726 5826 1 8 . 1 1 105 105 GLN H H 105 7.892 7.892 7.424 0.468 18726 5827 1 8 . 1 1 106 106 VAL N N 106 120.556 120.556 120.316 0.240 18726 5828 1 8 . 1 1 106 106 VAL HA H 106 3.567 3.567 3.742 -0.175 18726 5829 1 8 . 1 1 106 106 VAL CA C 106 66.496 66.496 64.960 1.536 18726 5830 1 8 . 1 1 106 106 VAL CB C 106 31.848 31.848 31.282 0.566 18726 5831 1 8 . 1 1 106 106 VAL H H 106 8.693 8.693 8.758 -0.065 18726 5832 1 8 . 1 1 107 107 ALA N N 107 119.655 119.655 121.907 -2.252 18726 5833 1 8 . 1 1 107 107 ALA HA H 107 3.813 3.813 3.992 -0.179 18726 5834 1 8 . 1 1 107 107 ALA CA C 107 55.884 55.884 55.541 0.343 18726 5835 1 8 . 1 1 107 107 ALA CB C 107 18.174 18.174 18.181 -0.007 18726 5836 1 8 . 1 1 107 107 ALA H H 107 8.750 8.750 8.133 0.617 18726 5837 1 8 . 1 1 108 108 SER N N 108 115.469 115.469 114.325 1.144 18726 5838 1 8 . 1 1 108 108 SER HA H 108 4.304 4.304 4.230 0.074 18726 5839 1 8 . 1 1 108 108 SER CA C 108 61.950 61.950 62.188 -0.238 18726 5840 1 8 . 1 1 108 108 SER CB C 108 63.290 63.290 62.888 0.402 18726 5841 1 8 . 1 1 108 108 SER H H 108 8.162 8.162 7.726 0.436 18726 5842 1 8 . 1 1 109 109 THR N N 109 119.201 119.201 120.582 -1.381 18726 5843 1 8 . 1 1 109 109 THR HA H 109 4.052 4.052 4.078 -0.026 18726 5844 1 8 . 1 1 109 109 THR CA C 109 67.195 67.195 66.830 0.365 18726 5845 1 8 . 1 1 109 109 THR CB C 109 68.832 68.832 68.861 -0.029 18726 5846 1 8 . 1 1 109 109 THR H H 109 8.218 8.218 8.144 0.074 18726 5847 1 8 . 1 1 110 110 LEU N N 110 122.329 122.329 122.704 -0.375 18726 5848 1 8 . 1 1 110 110 LEU HA H 110 3.920 3.920 3.938 -0.018 18726 5849 1 8 . 1 1 110 110 LEU CA C 110 59.025 59.025 58.976 0.049 18726 5850 1 8 . 1 1 110 110 LEU CB C 110 43.211 43.211 41.914 1.297 18726 5851 1 8 . 1 1 110 110 LEU H H 110 9.083 9.083 8.589 0.494 18726 5852 1 8 . 1 1 111 111 SER N N 111 113.018 113.018 114.602 -1.584 18726 5853 1 8 . 1 1 111 111 SER HA H 111 3.747 3.747 4.092 -0.345 18726 5854 1 8 . 1 1 111 111 SER CA C 111 63.848 63.848 62.702 1.146 18726 5855 1 8 . 1 1 111 111 SER CB C 111 63.958 63.958 62.640 1.318 18726 5856 1 8 . 1 1 111 111 SER H H 111 8.052 8.052 7.876 0.176 18726 5857 1 8 . 1 1 112 112 GLU N N 112 122.329 122.329 122.993 -0.664 18726 5858 1 8 . 1 1 112 112 GLU HA H 112 3.741 3.741 3.936 -0.195 18726 5859 1 8 . 1 1 112 112 GLU CA C 112 60.431 60.431 59.586 0.845 18726 5860 1 8 . 1 1 112 112 GLU CB C 112 29.199 29.199 29.501 -0.302 18726 5861 1 8 . 1 1 112 112 GLU H H 112 8.358 8.358 8.211 0.147 18726 5862 1 8 . 1 1 113 113 ASN N N 113 113.629 113.629 118.087 -4.458 18726 5863 1 8 . 1 1 113 113 ASN HA H 113 4.375 4.375 4.546 -0.171 18726 5864 1 8 . 1 1 113 113 ASN CA C 113 57.523 57.523 56.475 1.048 18726 5865 1 8 . 1 1 113 113 ASN CB C 113 40.788 40.788 39.175 1.613 18726 5866 1 8 . 1 1 113 113 ASN H H 113 7.265 7.265 8.475 -1.210 18726 5867 1 8 . 1 1 114 114 LEU N N 114 118.054 118.054 123.071 -5.017 18726 5868 1 8 . 1 1 114 114 LEU HA H 114 3.944 3.944 4.139 -0.195 18726 5869 1 8 . 1 1 114 114 LEU CA C 114 58.619 58.619 58.330 0.290 18726 5870 1 8 . 1 1 114 114 LEU CB C 114 43.489 43.489 42.195 1.294 18726 5871 1 8 . 1 1 114 114 LEU H H 114 8.417 8.417 8.543 -0.126 18726 5872 1 8 . 1 1 115 115 VAL N N 115 115.990 115.990 118.780 -2.790 18726 5873 1 8 . 1 1 115 115 VAL HA H 115 3.561 3.561 3.599 -0.038 18726 5874 1 8 . 1 1 115 115 VAL CA C 115 67.730 67.730 66.121 1.609 18726 5875 1 8 . 1 1 115 115 VAL CB C 115 31.820 31.820 31.777 0.043 18726 5876 1 8 . 1 1 115 115 VAL H H 115 8.051 8.051 8.653 -0.602 18726 5877 1 8 . 1 1 116 116 ARG N N 116 116.541 116.541 119.925 -3.384 18726 5878 1 8 . 1 1 116 116 ARG HA H 116 3.771 3.771 3.964 -0.193 18726 5879 1 8 . 1 1 116 116 ARG CA C 116 60.552 60.552 59.685 0.866 18726 5880 1 8 . 1 1 116 116 ARG CB C 116 30.790 30.790 30.029 0.761 18726 5881 1 8 . 1 1 116 116 ARG H H 116 7.799 7.799 7.562 0.237 18726 5882 1 8 . 1 1 117 117 GLU N N 117 116.013 116.013 119.559 -3.546 18726 5883 1 8 . 1 1 117 117 GLU HA H 117 4.627 4.627 4.164 0.463 18726 5884 1 8 . 1 1 117 117 GLU CA C 117 57.593 57.593 58.941 -1.348 18726 5885 1 8 . 1 1 117 117 GLU CB C 117 28.952 28.952 29.190 -0.238 18726 5886 1 8 . 1 1 117 117 GLU H H 117 8.089 8.089 7.964 0.125 18726 5887 1 8 . 1 1 118 118 MET N N 118 120.497 120.497 119.871 0.626 18726 5888 1 8 . 1 1 118 118 MET HA H 118 4.046 4.046 4.318 -0.272 18726 5889 1 8 . 1 1 118 118 MET CA C 118 60.845 60.845 59.647 1.198 18726 5890 1 8 . 1 1 118 118 MET CB C 118 34.132 34.132 32.590 1.542 18726 5891 1 8 . 1 1 118 118 MET H H 118 8.751 8.751 8.716 0.035 18726 5892 1 8 . 1 1 119 119 ALA N N 119 119.171 119.171 120.870 -1.699 18726 5893 1 8 . 1 1 119 119 ALA HA H 119 3.819 3.819 4.028 -0.209 18726 5894 1 8 . 1 1 119 119 ALA CA C 119 55.979 55.979 55.276 0.703 18726 5895 1 8 . 1 1 119 119 ALA CB C 119 18.954 18.954 18.298 0.656 18726 5896 1 8 . 1 1 119 119 ALA H H 119 7.903 7.903 8.425 -0.522 18726 5897 1 8 . 1 1 120 120 ASN N N 120 115.223 115.223 116.317 -1.094 18726 5898 1 8 . 1 1 120 120 ASN HA H 120 4.465 4.465 4.531 -0.066 18726 5899 1 8 . 1 1 120 120 ASN CA C 120 56.480 56.480 55.895 0.585 18726 5900 1 8 . 1 1 120 120 ASN CB C 120 38.922 38.922 38.469 0.453 18726 5901 1 8 . 1 1 120 120 ASN H H 120 7.687 7.687 7.956 -0.269 18726 5902 1 8 . 1 1 121 121 THR N N 121 117.264 117.264 116.264 1.000 18726 5903 1 8 . 1 1 121 121 THR HA H 121 3.956 3.956 4.243 -0.287 18726 5904 1 8 . 1 1 121 121 THR CA C 121 67.074 67.074 66.126 0.948 18726 5905 1 8 . 1 1 121 121 THR CB C 121 68.247 68.247 68.971 -0.724 18726 5906 1 8 . 1 1 121 121 THR H H 121 8.726 8.726 8.039 0.687 18726 5907 1 8 . 1 1 122 122 ALA N N 122 123.581 123.581 125.293 -1.712 18726 5908 1 8 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.279 -0.323 18726 5909 1 8 . 1 1 122 122 ALA CA C 122 55.824 55.824 55.071 0.753 18726 5910 1 8 . 1 1 122 122 ALA CB C 122 16.782 16.782 18.318 -1.536 18726 5911 1 8 . 1 1 122 122 ALA H H 122 8.955 8.955 8.728 0.227 18726 5912 1 8 . 1 1 123 123 ARG N N 123 116.698 116.698 117.762 -1.064 18726 5913 1 8 . 1 1 123 123 ARG HA H 123 4.190 4.190 4.141 0.049 18726 5914 1 8 . 1 1 123 123 ARG CA C 123 59.732 59.732 58.991 0.741 18726 5915 1 8 . 1 1 123 123 ARG CB C 123 30.233 30.233 29.737 0.496 18726 5916 1 8 . 1 1 123 123 ARG H H 123 7.439 7.439 8.053 -0.614 18726 5917 1 8 . 1 1 124 124 ARG N N 124 119.231 119.231 118.687 0.544 18726 5918 1 8 . 1 1 124 124 ARG HA H 124 4.082 4.082 4.120 -0.038 18726 5919 1 8 . 1 1 124 124 ARG CA C 124 58.240 58.240 57.888 0.352 18726 5920 1 8 . 1 1 124 124 ARG CB C 124 29.314 29.314 29.931 -0.618 18726 5921 1 8 . 1 1 124 124 ARG H H 124 7.669 7.669 7.722 -0.053 18726 5922 1 8 . 1 1 125 125 TYR N N 125 118.650 118.650 117.563 1.087 18726 5923 1 8 . 1 1 125 125 TYR HA H 125 4.567 4.567 4.621 -0.054 18726 5924 1 8 . 1 1 125 125 TYR CA C 125 57.748 57.748 57.297 0.451 18726 5925 1 8 . 1 1 125 125 TYR CB C 125 38.059 38.059 37.596 0.463 18726 5926 1 8 . 1 1 125 125 TYR H H 125 7.606 7.606 7.711 -0.105 18726 5927 1 8 . 1 1 126 126 ARG N N 126 110.322 110.322 117.673 -7.351 18726 5928 1 8 . 1 1 126 126 ARG HA H 126 3.789 3.789 4.076 -0.287 18726 5929 1 8 . 1 1 126 126 ARG CA C 126 57.860 57.860 57.062 0.798 18726 5930 1 8 . 1 1 126 126 ARG CB C 126 27.866 27.866 27.948 -0.082 18726 5931 1 8 . 1 1 126 126 ARG H H 126 7.657 7.657 7.694 -0.037 18726 5932 1 8 . 1 1 127 127 VAL N N 127 120.877 120.877 115.075 5.802 18726 5933 1 8 . 1 1 127 127 VAL HA H 127 4.004 4.004 4.137 -0.133 18726 5934 1 8 . 1 1 127 127 VAL CA C 127 62.105 62.105 61.736 0.369 18726 5935 1 8 . 1 1 127 127 VAL CB C 127 31.681 31.681 32.048 -0.367 18726 5936 1 8 . 1 1 127 127 VAL H H 127 7.601 7.601 7.816 -0.215 18726 5937 1 8 . 1 1 128 128 ASN N N 128 125.726 125.726 118.521 7.205 18726 5938 1 8 . 1 1 128 128 ASN HA H 128 4.663 4.663 4.368 0.295 18726 5939 1 8 . 1 1 128 128 ASN CA C 128 52.787 52.787 54.028 -1.241 18726 5940 1 8 . 1 1 128 128 ASN CB C 128 39.476 39.476 38.260 1.216 18726 5941 1 8 . 1 1 128 128 ASN H H 128 8.604 8.604 7.793 0.811 18726 5942 1 8 . 1 1 129 129 VAL N N 129 126.963 126.963 122.501 4.462 18726 5943 1 8 . 1 1 129 129 VAL HA H 129 4.286 4.286 4.404 -0.118 18726 5944 1 8 . 1 1 129 129 VAL CA C 129 59.637 59.637 58.742 0.895 18726 5945 1 8 . 1 1 129 129 VAL CB C 129 33.101 33.101 32.170 0.931 18726 5946 1 8 . 1 1 129 129 VAL H H 129 8.223 8.223 8.242 -0.019 18726 5947 1 8 . 1 1 130 130 PRO HA H 130 4.435 4.435 4.612 -0.177 18726 5948 1 8 . 1 1 130 130 PRO CA C 130 63.045 63.045 62.168 0.877 18726 5949 1 8 . 1 1 130 130 PRO CB C 130 32.795 32.795 32.960 -0.165 18726 5950 1 8 . 1 1 131 131 GLU N N 131 125.786 125.786 122.890 2.896 18726 5951 1 8 . 1 1 131 131 GLU HA H 131 3.944 3.944 3.939 0.005 18726 5952 1 8 . 1 1 131 131 GLU CA C 131 60.431 60.431 60.038 0.393 18726 5953 1 8 . 1 1 131 131 GLU CB C 131 29.147 29.147 29.030 0.117 18726 5954 1 8 . 1 1 131 131 GLU H H 131 9.135 9.135 8.943 0.192 18726 5955 1 8 . 1 1 132 132 ALA N N 132 119.640 119.640 120.257 -0.617 18726 5956 1 8 . 1 1 132 132 ALA HA H 132 4.183 4.183 4.162 0.021 18726 5957 1 8 . 1 1 132 132 ALA CA C 132 55.341 55.341 54.643 0.698 18726 5958 1 8 . 1 1 132 132 ALA CB C 132 18.314 18.314 18.223 0.091 18726 5959 1 8 . 1 1 132 132 ALA H H 132 9.105 9.105 8.250 0.855 18726 5960 1 8 . 1 1 133 133 SER N N 133 114.523 114.523 112.632 1.891 18726 5961 1 8 . 1 1 133 133 SER HA H 133 4.328 4.328 4.373 -0.045 18726 5962 1 8 . 1 1 133 133 SER CA C 133 61.673 61.673 60.068 1.605 18726 5963 1 8 . 1 1 133 133 SER CB C 133 62.621 62.621 63.971 -1.351 18726 5964 1 8 . 1 1 133 133 SER H H 133 7.417 7.417 7.936 -0.519 18726 5965 1 8 . 1 1 134 134 VAL N N 134 124.609 124.609 122.222 2.387 18726 5966 1 8 . 1 1 134 134 VAL HA H 134 3.495 3.495 3.713 -0.218 18726 5967 1 8 . 1 1 134 134 VAL CA C 134 66.867 66.867 65.757 1.110 18726 5968 1 8 . 1 1 134 134 VAL CB C 134 31.514 31.514 31.183 0.331 18726 5969 1 8 . 1 1 134 134 VAL H H 134 7.731 7.731 7.774 -0.043 18726 5970 1 8 . 1 1 135 135 GLN N N 135 118.590 118.590 119.720 -1.130 18726 5971 1 8 . 1 1 135 135 GLN HA H 135 3.932 3.932 4.004 -0.072 18726 5972 1 8 . 1 1 135 135 GLN CA C 135 59.154 59.154 59.115 0.038 18726 5973 1 8 . 1 1 135 135 GLN CB C 135 27.810 27.810 27.226 0.584 18726 5974 1 8 . 1 1 135 135 GLN H H 135 8.247 8.247 8.536 -0.289 18726 5975 1 8 . 1 1 136 136 ALA N N 136 121.867 121.867 121.397 0.470 18726 5976 1 8 . 1 1 136 136 ALA HA H 136 4.184 4.184 4.084 0.100 18726 5977 1 8 . 1 1 136 136 ALA CA C 136 55.229 55.229 54.843 0.386 18726 5978 1 8 . 1 1 136 136 ALA CB C 136 17.924 17.924 17.701 0.223 18726 5979 1 8 . 1 1 136 136 ALA H H 136 7.617 7.617 7.751 -0.134 18726 5980 1 8 . 1 1 137 137 ASP N N 137 121.450 121.450 119.140 2.310 18726 5981 1 8 . 1 1 137 137 ASP HA H 137 4.423 4.423 4.446 -0.023 18726 5982 1 8 . 1 1 137 137 ASP CA C 137 57.480 57.480 57.138 0.342 18726 5983 1 8 . 1 1 137 137 ASP CB C 137 41.735 41.735 40.250 1.485 18726 5984 1 8 . 1 1 137 137 ASP H H 137 8.097 8.097 7.419 0.678 18726 5985 1 8 . 1 1 138 138 VAL N N 138 121.018 121.018 119.723 1.295 18726 5986 1 8 . 1 1 138 138 VAL HA H 138 3.543 3.543 3.679 -0.136 18726 5987 1 8 . 1 1 138 138 VAL CA C 138 67.644 67.644 66.684 0.960 18726 5988 1 8 . 1 1 138 138 VAL CB C 138 31.625 31.625 31.219 0.406 18726 5989 1 8 . 1 1 138 138 VAL H H 138 8.630 8.630 8.131 0.499 18726 5990 1 8 . 1 1 139 139 SER N N 139 117.279 117.279 116.049 1.230 18726 5991 1 8 . 1 1 139 139 SER HA H 139 4.087 4.087 4.332 -0.245 18726 5992 1 8 . 1 1 139 139 SER CA C 139 62.191 62.191 61.208 0.983 18726 5993 1 8 . 1 1 139 139 SER CB C 139 62.996 62.996 62.996 -0.000 18726 5994 1 8 . 1 1 139 139 SER H H 139 8.146 8.146 7.955 0.191 18726 5995 1 8 . 1 1 140 140 LEU N N 140 123.402 123.402 122.988 0.414 18726 5996 1 8 . 1 1 140 140 LEU HA H 140 4.184 4.184 4.170 0.014 18726 5997 1 8 . 1 1 140 140 LEU CA C 140 59.025 59.025 58.164 0.861 18726 5998 1 8 . 1 1 140 140 LEU CB C 140 42.459 42.459 42.132 0.327 18726 5999 1 8 . 1 1 140 140 LEU H H 140 8.283 8.283 7.667 0.616 18726 6000 1 8 . 1 1 141 141 VAL N N 141 112.944 112.944 115.783 -2.839 18726 6001 1 8 . 1 1 141 141 VAL HA H 141 3.956 3.956 3.696 0.260 18726 6002 1 8 . 1 1 141 141 VAL CA C 141 66.169 66.169 66.238 -0.069 18726 6003 1 8 . 1 1 141 141 VAL CB C 141 30.762 30.762 30.503 0.258 18726 6004 1 8 . 1 1 141 141 VAL H H 141 8.969 8.969 8.093 0.876 18726 6005 1 8 . 1 1 142 142 THR N N 142 114.612 114.612 114.288 0.324 18726 6006 1 8 . 1 1 142 142 THR HA H 142 4.160 4.160 4.131 0.029 18726 6007 1 8 . 1 1 142 142 THR CA C 142 65.668 65.668 66.201 -0.533 18726 6008 1 8 . 1 1 142 142 THR CB C 142 68.804 68.804 68.411 0.393 18726 6009 1 8 . 1 1 142 142 THR H H 142 8.134 8.134 8.234 -0.100 18726 6010 1 8 . 1 1 143 143 SER N N 143 120.124 120.124 118.409 1.715 18726 6011 1 8 . 1 1 143 143 SER HA H 143 4.292 4.292 4.205 0.087 18726 6012 1 8 . 1 1 143 143 SER CA C 143 62.079 62.079 61.940 0.139 18726 6013 1 8 . 1 1 143 143 SER CB C 143 62.928 62.928 62.813 0.115 18726 6014 1 8 . 1 1 143 143 SER H H 143 8.014 8.014 8.176 -0.162 18726 6015 1 8 . 1 1 144 144 MET N N 144 119.335 119.335 119.223 0.112 18726 6016 1 8 . 1 1 144 144 MET HA H 144 4.226 4.226 4.278 -0.052 18726 6017 1 8 . 1 1 144 144 MET CA C 144 59.189 59.189 58.470 0.719 18726 6018 1 8 . 1 1 144 144 MET CB C 144 33.826 33.826 32.384 1.442 18726 6019 1 8 . 1 1 144 144 MET H H 144 8.172 8.172 7.855 0.317 18726 6020 1 8 . 1 1 145 145 THR N N 145 107.737 107.737 113.538 -5.801 18726 6021 1 8 . 1 1 145 145 THR HA H 145 4.052 4.052 4.060 -0.008 18726 6022 1 8 . 1 1 145 145 THR CA C 145 64.659 64.659 66.254 -1.595 18726 6023 1 8 . 1 1 145 145 THR CB C 145 69.138 69.138 68.493 0.645 18726 6024 1 8 . 1 1 145 145 THR H H 145 7.985 7.985 7.763 0.222 18726 6025 1 8 . 1 1 146 146 SER N N 146 113.986 113.986 116.713 -2.727 18726 6026 1 8 . 1 1 146 146 SER HA H 146 4.393 4.393 4.204 0.189 18726 6027 1 8 . 1 1 146 146 SER CA C 146 60.975 60.975 60.901 0.073 18726 6028 1 8 . 1 1 146 146 SER CB C 146 63.847 63.847 63.410 0.438 18726 6029 1 8 . 1 1 146 146 SER H H 146 7.802 7.802 8.308 -0.506 18726 6030 1 8 . 1 1 147 147 THR N N 147 109.308 109.308 110.881 -1.573 18726 6031 1 8 . 1 1 147 147 THR HA H 147 4.405 4.405 4.512 -0.107 18726 6032 1 8 . 1 1 147 147 THR CA C 147 61.259 61.259 60.594 0.665 18726 6033 1 8 . 1 1 147 147 THR CB C 147 69.556 69.556 69.089 0.467 18726 6034 1 8 . 1 1 147 147 THR H H 147 7.206 7.206 7.347 -0.141 18726 6035 1 8 . 1 1 148 148 PHE N N 148 122.746 122.746 123.561 -0.815 18726 6036 1 8 . 1 1 148 148 PHE HA H 148 4.441 4.441 4.814 -0.373 18726 6037 1 8 . 1 1 148 148 PHE CA C 148 58.913 58.913 56.775 2.138 18726 6038 1 8 . 1 1 148 148 PHE CB C 148 39.952 39.952 40.719 -0.767 18726 6039 1 8 . 1 1 148 148 PHE H H 148 7.299 7.299 8.108 -0.809 18726 6040 1 8 . 1 1 149 149 VAL N N 149 124.892 124.892 128.423 -3.531 18726 6041 1 8 . 1 1 149 149 VAL HA H 149 3.938 3.938 4.000 -0.062 18726 6042 1 8 . 1 1 149 149 VAL CA C 149 61.233 61.233 60.609 0.624 18726 6043 1 8 . 1 1 149 149 VAL CB C 149 34.410 34.410 33.454 0.956 18726 6044 1 8 . 1 1 149 149 VAL H H 149 7.759 7.759 8.472 -0.713 18726 6045 1 8 . 1 1 150 150 ILE N N 150 124.892 124.892 126.996 -2.104 18726 6046 1 8 . 1 1 150 150 ILE HA H 150 4.015 4.015 3.962 0.053 18726 6047 1 8 . 1 1 150 150 ILE CA C 150 60.655 60.655 61.282 -0.627 18726 6048 1 8 . 1 1 150 150 ILE CB C 150 38.755 38.755 38.101 0.654 18726 6049 1 8 . 1 1 150 150 ILE H H 150 8.120 8.120 8.187 -0.067 18726 6050 1 8 . 1 1 151 151 SER N N 151 121.942 121.942 122.942 -1.000 18726 6051 1 8 . 1 1 151 151 SER HA H 151 4.483 4.483 4.604 -0.121 18726 6052 1 8 . 1 1 151 151 SER CA C 151 58.136 58.136 57.436 0.700 18726 6053 1 8 . 1 1 151 151 SER CB C 151 64.264 64.264 63.366 0.898 18726 6054 1 8 . 1 1 151 151 SER H H 151 8.746 8.746 8.794 -0.048 18726 6055 1 8 . 1 1 152 152 SER HA H 152 4.453 4.453 4.487 -0.034 18726 6056 1 8 . 1 1 152 152 SER CA C 152 58.481 58.481 57.555 0.926 18726 6057 1 8 . 1 1 152 152 SER CB C 152 64.188 64.188 62.364 1.824 18726 6058 1 8 . 1 1 153 153 GLN N N 153 122.081 122.081 121.181 0.900 18726 6059 1 8 . 1 1 153 153 GLN HA H 153 4.325 4.325 4.058 0.267 18726 6060 1 8 . 1 1 153 153 GLN CA C 153 56.104 56.104 57.106 -1.002 18726 6061 1 8 . 1 1 153 153 GLN CB C 153 29.322 29.322 28.944 0.378 18726 6062 1 8 . 1 1 153 153 GLN H H 153 8.404 8.404 8.229 0.175 18726 6063 1 8 . 1 1 154 154 THR HA H 154 4.345 4.345 3.988 0.357 18726 6064 1 8 . 1 1 154 154 THR CA C 154 62.036 62.036 63.027 -0.991 18726 6065 1 8 . 1 1 154 154 THR CB C 154 69.806 69.806 67.746 2.060 18726 6066 1 8 . 1 1 155 155 SER N N 155 118.158 118.158 114.055 4.103 18726 6067 1 8 . 1 1 155 155 SER HA H 155 4.465 4.465 4.706 -0.241 18726 6068 1 8 . 1 1 155 155 SER CA C 155 58.447 58.447 56.926 1.521 18726 6069 1 8 . 1 1 155 155 SER CB C 155 64.069 64.069 64.695 -0.627 18726 6070 1 8 . 1 1 155 155 SER H H 155 8.275 8.275 8.000 0.275 18726 6071 1 8 . 1 1 156 156 VAL N N 156 121.614 121.614 116.434 5.180 18726 6072 1 8 . 1 1 156 156 VAL HA H 156 4.094 4.094 4.293 -0.199 18726 6073 1 8 . 1 1 156 156 VAL CA C 156 62.553 62.553 62.064 0.489 18726 6074 1 8 . 1 1 156 156 VAL CB C 156 32.823 32.823 31.750 1.073 18726 6075 1 8 . 1 1 156 156 VAL H H 156 8.103 8.103 7.912 0.191 18726 6076 1 8 . 1 1 157 157 GLN N N 157 123.938 123.938 121.354 2.584 18726 6077 1 8 . 1 1 157 157 GLN HA H 157 4.310 4.310 4.974 -0.664 18726 6078 1 8 . 1 1 157 157 GLN CA C 157 55.867 55.867 54.780 1.087 18726 6079 1 8 . 1 1 157 157 GLN CB C 157 29.370 29.370 32.222 -2.853 18726 6080 1 8 . 1 1 157 157 GLN H H 157 8.371 8.371 8.430 -0.059 18726 6081 1 8 . 1 1 158 158 MET N N 158 122.300 122.300 118.476 3.824 18726 6082 1 8 . 1 1 158 158 MET HA H 158 4.470 4.470 5.445 -0.975 18726 6083 1 8 . 1 1 158 158 MET CA C 158 55.720 55.720 54.586 1.134 18726 6084 1 8 . 1 1 158 158 MET CB C 158 32.959 32.959 35.439 -2.480 18726 6085 1 8 . 1 1 158 158 MET H H 158 8.425 8.425 8.935 -0.510 18726 6086 1 8 . 1 1 159 159 GLY N N 159 110.605 110.605 107.355 3.250 18726 6087 1 8 . 1 1 159 159 GLY CA C 159 45.689 45.689 44.844 0.845 18726 6088 1 8 . 1 1 159 159 GLY H H 159 8.396 8.396 9.190 -0.794 18726 6089 1 9 . 1 1 1 1 SER HA H 1 4.417 4.417 4.585 -0.168 18726 6090 1 9 . 1 1 1 1 SER CA C 1 58.904 58.904 57.645 1.259 18726 6091 1 9 . 1 1 1 1 SER CB C 1 64.069 64.069 65.557 -1.488 18726 6092 1 9 . 1 1 2 2 GLY N N 2 110.955 110.955 109.740 1.215 18726 6093 1 9 . 1 1 2 2 GLY CA C 2 45.689 45.689 45.487 0.202 18726 6094 1 9 . 1 1 2 2 GLY H H 2 8.620 8.620 8.527 0.093 18726 6095 1 9 . 1 1 3 3 SER N N 3 116.638 116.638 120.441 -3.803 18726 6096 1 9 . 1 1 3 3 SER HA H 3 4.495 4.495 4.292 0.203 18726 6097 1 9 . 1 1 3 3 SER CA C 3 58.386 58.386 58.604 -0.218 18726 6098 1 9 . 1 1 3 3 SER CB C 3 64.877 64.877 64.292 0.585 18726 6099 1 9 . 1 1 3 3 SER H H 3 8.459 8.459 8.543 -0.084 18726 6100 1 9 . 1 1 4 4 LEU N N 4 123.760 123.760 127.648 -3.888 18726 6101 1 9 . 1 1 4 4 LEU HA H 4 4.094 4.094 4.089 0.005 18726 6102 1 9 . 1 1 4 4 LEU CA C 4 58.973 58.973 56.920 2.053 18726 6103 1 9 . 1 1 4 4 LEU CB C 4 41.594 41.594 41.475 0.119 18726 6104 1 9 . 1 1 4 4 LEU H H 4 8.700 8.700 7.917 0.783 18726 6105 1 9 . 1 1 5 5 GLY N N 5 126.963 126.963 105.512 21.451 18726 6106 1 9 . 1 1 5 5 GLY CA C 5 46.887 46.887 47.167 -0.280 18726 6107 1 9 . 1 1 5 5 GLY H H 5 8.814 8.814 8.129 0.685 18726 6108 1 9 . 1 1 6 6 ASP N N 6 125.167 125.167 123.338 1.829 18726 6109 1 9 . 1 1 6 6 ASP HA H 6 4.369 4.369 4.521 -0.152 18726 6110 1 9 . 1 1 6 6 ASP CA C 6 57.972 57.972 57.120 0.852 18726 6111 1 9 . 1 1 6 6 ASP CB C 6 40.957 40.957 40.458 0.499 18726 6112 1 9 . 1 1 6 6 ASP H H 6 8.119 8.119 7.608 0.511 18726 6113 1 9 . 1 1 7 7 GLN N N 7 119.521 119.521 119.488 0.033 18726 6114 1 9 . 1 1 7 7 GLN HA H 7 4.160 4.160 4.047 0.113 18726 6115 1 9 . 1 1 7 7 GLN CA C 7 59.404 59.404 58.846 0.558 18726 6116 1 9 . 1 1 7 7 GLN CB C 7 29.199 29.199 28.975 0.224 18726 6117 1 9 . 1 1 7 7 GLN H H 7 8.398 8.398 7.762 0.636 18726 6118 1 9 . 1 1 8 8 LEU N N 8 121.234 121.234 120.480 0.754 18726 6119 1 9 . 1 1 8 8 LEU HA H 8 3.801 3.801 3.951 -0.150 18726 6120 1 9 . 1 1 8 8 LEU CA C 8 57.722 57.722 58.053 -0.331 18726 6121 1 9 . 1 1 8 8 LEU CB C 8 42.403 42.403 41.465 0.938 18726 6122 1 9 . 1 1 8 8 LEU H H 8 9.087 9.087 8.294 0.793 18726 6123 1 9 . 1 1 9 9 THR N N 9 116.094 116.094 112.826 3.268 18726 6124 1 9 . 1 1 9 9 THR HA H 9 3.513 3.513 3.897 -0.384 18726 6125 1 9 . 1 1 9 9 THR CA C 9 68.886 68.886 66.323 2.563 18726 6126 1 9 . 1 1 9 9 THR CB C 9 67.968 67.968 68.423 -0.455 18726 6127 1 9 . 1 1 9 9 THR H H 9 8.188 8.188 8.346 -0.158 18726 6128 1 9 . 1 1 10 10 SER N N 10 115.044 115.044 117.935 -2.891 18726 6129 1 9 . 1 1 10 10 SER HA H 10 4.154 4.154 4.123 0.031 18726 6130 1 9 . 1 1 10 10 SER CA C 10 61.898 61.898 61.587 0.311 18726 6131 1 9 . 1 1 10 10 SER CB C 10 62.900 62.900 63.057 -0.157 18726 6132 1 9 . 1 1 10 10 SER H H 10 7.801 7.801 8.361 -0.560 18726 6133 1 9 . 1 1 11 11 THR N N 11 119.022 119.022 119.369 -0.347 18726 6134 1 9 . 1 1 11 11 THR HA H 11 3.920 3.920 3.895 0.025 18726 6135 1 9 . 1 1 11 11 THR CA C 11 67.747 67.747 67.255 0.492 18726 6136 1 9 . 1 1 11 11 THR CB C 11 68.804 68.804 68.591 0.213 18726 6137 1 9 . 1 1 11 11 THR H H 11 8.147 8.147 8.266 -0.119 18726 6138 1 9 . 1 1 12 12 LEU N N 12 120.609 120.609 121.608 -0.999 18726 6139 1 9 . 1 1 12 12 LEU HA H 12 3.890 3.890 3.901 -0.011 18726 6140 1 9 . 1 1 12 12 LEU CA C 12 58.265 58.265 58.139 0.126 18726 6141 1 9 . 1 1 12 12 LEU CB C 12 42.598 42.598 41.508 1.090 18726 6142 1 9 . 1 1 12 12 LEU H H 12 8.368 8.368 8.364 0.004 18726 6143 1 9 . 1 1 13 13 ALA N N 13 119.231 119.231 120.654 -1.423 18726 6144 1 9 . 1 1 13 13 ALA HA H 13 3.816 3.816 3.986 -0.170 18726 6145 1 9 . 1 1 13 13 ALA CA C 13 55.729 55.729 54.852 0.877 18726 6146 1 9 . 1 1 13 13 ALA CB C 13 17.422 17.422 18.058 -0.636 18726 6147 1 9 . 1 1 13 13 ALA H H 13 8.755 8.755 8.202 0.553 18726 6148 1 9 . 1 1 14 14 SER N N 14 116.251 116.251 115.891 0.360 18726 6149 1 9 . 1 1 14 14 SER HA H 14 4.052 4.052 4.093 -0.041 18726 6150 1 9 . 1 1 14 14 SER CA C 14 62.079 62.079 62.267 -0.188 18726 6151 1 9 . 1 1 14 14 SER CB C 14 63.111 63.111 62.911 0.200 18726 6152 1 9 . 1 1 14 14 SER H H 14 8.318 8.318 8.090 0.228 18726 6153 1 9 . 1 1 15 15 ALA N N 15 121.629 121.629 123.740 -2.111 18726 6154 1 9 . 1 1 15 15 ALA HA H 15 4.166 4.166 4.084 0.082 18726 6155 1 9 . 1 1 15 15 ALA CA C 15 54.918 54.918 54.734 0.184 18726 6156 1 9 . 1 1 15 15 ALA CB C 15 18.397 18.397 18.524 -0.127 18726 6157 1 9 . 1 1 15 15 ALA H H 15 7.943 7.943 8.047 -0.104 18726 6158 1 9 . 1 1 16 16 LEU N N 16 112.541 112.541 118.103 -5.562 18726 6159 1 9 . 1 1 16 16 LEU HA H 16 3.885 3.885 4.088 -0.203 18726 6160 1 9 . 1 1 16 16 LEU CA C 16 57.731 57.731 56.946 0.785 18726 6161 1 9 . 1 1 16 16 LEU CB C 16 42.208 42.208 41.502 0.706 18726 6162 1 9 . 1 1 16 16 LEU H H 16 8.083 8.083 8.010 0.073 18726 6163 1 9 . 1 1 17 17 THR N N 17 116.527 116.527 112.360 4.167 18726 6164 1 9 . 1 1 17 17 THR HA H 17 3.388 3.388 4.161 -0.773 18726 6165 1 9 . 1 1 17 17 THR CA C 17 67.972 67.972 64.828 3.144 18726 6166 1 9 . 1 1 17 17 THR CB C 17 68.860 68.860 69.134 -0.274 18726 6167 1 9 . 1 1 17 17 THR H H 17 8.044 8.044 7.736 0.308 18726 6168 1 9 . 1 1 18 18 LYS N N 18 115.841 115.841 118.249 -2.408 18726 6169 1 9 . 1 1 18 18 LYS HA H 18 4.142 4.142 4.485 -0.343 18726 6170 1 9 . 1 1 18 18 LYS CA C 18 56.859 56.859 55.369 1.490 18726 6171 1 9 . 1 1 18 18 LYS CB C 18 34.271 34.271 32.819 1.452 18726 6172 1 9 . 1 1 18 18 LYS H H 18 6.810 6.810 7.477 -0.667 18726 6173 1 9 . 1 1 19 19 THR N N 19 108.482 108.482 113.191 -4.709 18726 6174 1 9 . 1 1 19 19 THR HA H 19 4.088 4.088 4.806 -0.718 18726 6175 1 9 . 1 1 19 19 THR CA C 19 61.656 61.656 60.300 1.357 18726 6176 1 9 . 1 1 19 19 THR CB C 19 70.168 70.168 71.540 -1.372 18726 6177 1 9 . 1 1 19 19 THR H H 19 7.419 7.419 7.221 0.198 18726 6178 1 9 . 1 1 20 20 ASN N N 20 126.031 126.031 125.293 0.738 18726 6179 1 9 . 1 1 20 20 ASN HA H 20 4.304 4.304 4.337 -0.033 18726 6180 1 9 . 1 1 20 20 ASN CA C 20 57.247 57.247 56.663 0.584 18726 6181 1 9 . 1 1 20 20 ASN CB C 20 39.033 39.033 37.717 1.316 18726 6182 1 9 . 1 1 20 20 ASN H H 20 11.715 11.715 9.139 2.576 18726 6183 1 9 . 1 1 21 21 THR N N 21 119.223 119.223 116.929 2.294 18726 6184 1 9 . 1 1 21 21 THR HA H 21 3.723 3.723 4.084 -0.361 18726 6185 1 9 . 1 1 21 21 THR CA C 21 68.803 68.803 66.285 2.518 18726 6186 1 9 . 1 1 21 21 THR CB C 21 70.168 70.168 68.819 1.349 18726 6187 1 9 . 1 1 21 21 THR H H 21 10.495 10.495 9.126 1.369 18726 6188 1 9 . 1 1 22 22 LEU N N 22 119.484 119.484 120.750 -1.266 18726 6189 1 9 . 1 1 22 22 LEU HA H 22 3.920 3.920 4.407 -0.487 18726 6190 1 9 . 1 1 22 22 LEU CA C 22 57.360 57.360 56.403 0.957 18726 6191 1 9 . 1 1 22 22 LEU CB C 22 40.983 40.983 41.864 -0.880 18726 6192 1 9 . 1 1 22 22 LEU H H 22 7.908 7.908 8.331 -0.423 18726 6193 1 9 . 1 1 23 23 LYS N N 23 121.033 121.033 120.220 0.813 18726 6194 1 9 . 1 1 23 23 LYS HA H 23 3.843 3.843 4.027 -0.184 18726 6195 1 9 . 1 1 23 23 LYS CA C 23 61.078 61.078 59.931 1.147 18726 6196 1 9 . 1 1 23 23 LYS CB C 23 32.210 32.210 32.237 -0.027 18726 6197 1 9 . 1 1 23 23 LYS H H 23 7.968 7.968 8.278 -0.310 18726 6198 1 9 . 1 1 24 24 ALA N N 24 121.376 121.376 121.470 -0.094 18726 6199 1 9 . 1 1 24 24 ALA HA H 24 4.118 4.118 4.151 -0.033 18726 6200 1 9 . 1 1 24 24 ALA CA C 24 54.892 54.892 55.144 -0.252 18726 6201 1 9 . 1 1 24 24 ALA CB C 24 18.564 18.564 18.333 0.231 18726 6202 1 9 . 1 1 24 24 ALA H H 24 8.239 8.239 8.354 -0.115 18726 6203 1 9 . 1 1 25 25 VAL N N 25 118.009 118.009 114.108 3.901 18726 6204 1 9 . 1 1 25 25 VAL HA H 25 3.244 3.244 3.561 -0.317 18726 6205 1 9 . 1 1 25 25 VAL CA C 25 67.420 67.420 65.620 1.800 18726 6206 1 9 . 1 1 25 25 VAL CB C 25 31.904 31.904 31.613 0.291 18726 6207 1 9 . 1 1 25 25 VAL H H 25 7.972 7.972 7.422 0.550 18726 6208 1 9 . 1 1 26 26 SER N N 26 113.107 113.107 116.400 -3.293 18726 6209 1 9 . 1 1 26 26 SER HA H 26 3.645 3.645 3.932 -0.287 18726 6210 1 9 . 1 1 26 26 SER CA C 26 62.157 62.157 61.365 0.792 18726 6211 1 9 . 1 1 26 26 SER CB C 26 63.206 63.206 63.229 -0.023 18726 6212 1 9 . 1 1 26 26 SER H H 26 8.092 8.092 8.050 0.042 18726 6213 1 9 . 1 1 27 27 ALA N N 27 122.069 122.069 123.067 -0.998 18726 6214 1 9 . 1 1 27 27 ALA HA H 27 4.178 4.178 4.204 -0.026 18726 6215 1 9 . 1 1 27 27 ALA CA C 27 54.504 54.504 54.356 0.148 18726 6216 1 9 . 1 1 27 27 ALA CB C 27 18.676 18.676 18.199 0.477 18726 6217 1 9 . 1 1 27 27 ALA H H 27 8.224 8.224 7.792 0.432 18726 6218 1 9 . 1 1 28 28 SER N N 28 111.990 111.990 112.418 -0.428 18726 6219 1 9 . 1 1 28 28 SER HA H 28 4.298 4.298 4.315 -0.017 18726 6220 1 9 . 1 1 28 28 SER CA C 28 60.051 60.051 58.356 1.695 18726 6221 1 9 . 1 1 28 28 SER CB C 28 64.376 64.376 63.367 1.009 18726 6222 1 9 . 1 1 28 28 SER H H 28 7.441 7.441 7.493 -0.052 18726 6223 1 9 . 1 1 29 29 LYS N N 29 116.653 116.653 120.528 -3.875 18726 6224 1 9 . 1 1 29 29 LYS HA H 29 4.010 4.010 4.081 -0.071 18726 6225 1 9 . 1 1 29 29 LYS CA C 29 56.859 56.859 56.280 0.579 18726 6226 1 9 . 1 1 29 29 LYS CB C 29 30.957 30.957 31.593 -0.636 18726 6227 1 9 . 1 1 29 29 LYS H H 29 7.725 7.725 7.528 0.197 18726 6228 1 9 . 1 1 30 30 PRO HA H 30 4.501 4.501 4.379 0.122 18726 6229 1 9 . 1 1 30 30 PRO CA C 30 62.709 62.709 63.998 -1.289 18726 6230 1 9 . 1 1 30 30 PRO CB C 30 30.906 30.906 32.240 -1.334 18726 6231 1 9 . 1 1 31 31 SER N N 31 115.595 115.595 111.038 4.557 18726 6232 1 9 . 1 1 31 31 SER HA H 31 4.286 4.286 4.506 -0.220 18726 6233 1 9 . 1 1 31 31 SER CA C 31 57.739 57.739 57.437 0.302 18726 6234 1 9 . 1 1 31 31 SER CB C 31 64.515 64.515 64.483 0.032 18726 6235 1 9 . 1 1 31 31 SER H H 31 8.349 8.349 7.781 0.568 18726 6236 1 9 . 1 1 32 32 ALA N N 32 124.266 124.266 126.268 -2.002 18726 6237 1 9 . 1 1 32 32 ALA HA H 32 4.351 4.351 4.087 0.265 18726 6238 1 9 . 1 1 32 32 ALA CA C 32 55.772 55.772 54.346 1.426 18726 6239 1 9 . 1 1 32 32 ALA CB C 32 18.954 18.954 18.728 0.226 18726 6240 1 9 . 1 1 32 32 ALA H H 32 9.039 9.039 8.859 0.180 18726 6241 1 9 . 1 1 33 33 ASN N N 33 111.722 111.722 117.205 -5.483 18726 6242 1 9 . 1 1 33 33 ASN HA H 33 4.274 4.274 4.451 -0.177 18726 6243 1 9 . 1 1 33 33 ASN CA C 33 56.402 56.402 55.844 0.558 18726 6244 1 9 . 1 1 33 33 ASN CB C 33 37.780 37.780 37.918 -0.138 18726 6245 1 9 . 1 1 33 33 ASN H H 33 8.301 8.301 8.561 -0.260 18726 6246 1 9 . 1 1 34 34 VAL N N 34 123.804 123.804 116.370 7.434 18726 6247 1 9 . 1 1 34 34 VAL HA H 34 3.166 3.166 3.653 -0.487 18726 6248 1 9 . 1 1 34 34 VAL CA C 34 66.634 66.634 64.500 2.134 18726 6249 1 9 . 1 1 34 34 VAL CB C 34 31.347 31.347 31.107 0.240 18726 6250 1 9 . 1 1 34 34 VAL H H 34 7.376 7.376 7.212 0.164 18726 6251 1 9 . 1 1 35 35 ALA N N 35 122.314 122.314 123.162 -0.848 18726 6252 1 9 . 1 1 35 35 ALA HA H 35 3.591 3.591 3.851 -0.260 18726 6253 1 9 . 1 1 35 35 ALA CA C 35 56.255 56.255 55.426 0.829 18726 6254 1 9 . 1 1 35 35 ALA CB C 35 18.063 18.063 18.320 -0.257 18726 6255 1 9 . 1 1 35 35 ALA H H 35 8.558 8.558 8.390 0.168 18726 6256 1 9 . 1 1 36 36 VAL N N 36 115.595 115.595 117.885 -2.290 18726 6257 1 9 . 1 1 36 36 VAL HA H 36 3.316 3.316 3.688 -0.372 18726 6258 1 9 . 1 1 36 36 VAL CA C 36 67.756 67.756 66.499 1.257 18726 6259 1 9 . 1 1 36 36 VAL CB C 36 32.099 32.099 31.258 0.841 18726 6260 1 9 . 1 1 36 36 VAL H H 36 8.507 8.507 7.520 0.987 18726 6261 1 9 . 1 1 37 37 ALA N N 37 126.247 126.247 122.648 3.599 18726 6262 1 9 . 1 1 37 37 ALA HA H 37 4.040 4.040 4.222 -0.182 18726 6263 1 9 . 1 1 37 37 ALA CA C 37 56.048 56.048 54.689 1.359 18726 6264 1 9 . 1 1 37 37 ALA CB C 37 18.091 18.091 18.668 -0.577 18726 6265 1 9 . 1 1 37 37 ALA H H 37 7.801 7.801 7.317 0.484 18726 6266 1 9 . 1 1 38 38 ILE N N 38 118.344 118.344 119.339 -0.995 18726 6267 1 9 . 1 1 38 38 ILE HA H 38 3.561 3.561 3.749 -0.188 18726 6268 1 9 . 1 1 38 38 ILE CA C 38 66.263 66.263 65.617 0.646 18726 6269 1 9 . 1 1 38 38 ILE CB C 38 39.395 39.395 38.226 1.169 18726 6270 1 9 . 1 1 38 38 ILE H H 38 8.305 8.305 7.964 0.341 18726 6271 1 9 . 1 1 39 39 VAL N N 39 117.264 117.264 120.220 -2.956 18726 6272 1 9 . 1 1 39 39 VAL HA H 39 3.573 3.573 3.656 -0.083 18726 6273 1 9 . 1 1 39 39 VAL CA C 39 67.074 67.074 66.424 0.650 18726 6274 1 9 . 1 1 39 39 VAL CB C 39 32.127 32.127 31.840 0.287 18726 6275 1 9 . 1 1 39 39 VAL H H 39 8.331 8.331 8.059 0.272 18726 6276 1 9 . 1 1 40 40 THR N N 40 112.303 112.303 114.707 -2.404 18726 6277 1 9 . 1 1 40 40 THR HA H 40 3.831 3.831 3.921 -0.090 18726 6278 1 9 . 1 1 40 40 THR CA C 40 67.152 67.152 66.567 0.585 18726 6279 1 9 . 1 1 40 40 THR CB C 40 68.776 68.776 68.439 0.337 18726 6280 1 9 . 1 1 40 40 THR H H 40 9.029 9.029 8.311 0.718 18726 6281 1 9 . 1 1 41 41 SER N N 41 117.085 117.085 118.837 -1.752 18726 6282 1 9 . 1 1 41 41 SER HA H 41 4.274 4.274 4.148 0.126 18726 6283 1 9 . 1 1 41 41 SER CA C 41 62.182 62.182 62.814 -0.632 18726 6284 1 9 . 1 1 41 41 SER CB C 41 63.067 63.067 62.876 0.191 18726 6285 1 9 . 1 1 41 41 SER H H 41 7.599 7.599 7.819 -0.220 18726 6286 1 9 . 1 1 42 42 GLY N N 42 107.258 107.258 109.570 -2.312 18726 6287 1 9 . 1 1 42 42 GLY CA C 42 47.917 47.917 46.808 1.109 18726 6288 1 9 . 1 1 42 42 GLY H H 42 7.599 7.599 7.704 -0.105 18726 6289 1 9 . 1 1 43 43 LEU N N 43 122.262 122.262 123.207 -0.945 18726 6290 1 9 . 1 1 43 43 LEU HA H 43 3.914 3.914 4.103 -0.189 18726 6291 1 9 . 1 1 43 43 LEU CA C 43 57.782 57.782 57.889 -0.106 18726 6292 1 9 . 1 1 43 43 LEU CB C 43 42.876 42.876 41.696 1.180 18726 6293 1 9 . 1 1 43 43 LEU H H 43 8.595 8.595 8.382 0.213 18726 6294 1 9 . 1 1 44 44 LYS N N 44 118.851 118.851 119.643 -0.792 18726 6295 1 9 . 1 1 44 44 LYS HA H 44 3.855 3.855 3.994 -0.139 18726 6296 1 9 . 1 1 44 44 LYS CA C 44 60.604 60.604 59.909 0.695 18726 6297 1 9 . 1 1 44 44 LYS CB C 44 32.322 32.322 32.216 0.106 18726 6298 1 9 . 1 1 44 44 LYS H H 44 8.589 8.589 8.288 0.301 18726 6299 1 9 . 1 1 45 45 LYS N N 45 118.322 118.322 119.825 -1.503 18726 6300 1 9 . 1 1 45 45 LYS HA H 45 4.160 4.160 4.053 0.107 18726 6301 1 9 . 1 1 45 45 LYS CA C 45 58.326 58.326 58.881 -0.555 18726 6302 1 9 . 1 1 45 45 LYS CB C 45 32.492 32.492 32.264 0.228 18726 6303 1 9 . 1 1 45 45 LYS H H 45 7.189 7.189 7.707 -0.518 18726 6304 1 9 . 1 1 46 46 ALA N N 46 121.301 121.301 122.030 -0.729 18726 6305 1 9 . 1 1 46 46 ALA HA H 46 3.831 3.831 4.084 -0.253 18726 6306 1 9 . 1 1 46 46 ALA CA C 46 55.539 55.539 55.020 0.519 18726 6307 1 9 . 1 1 46 46 ALA CB C 46 20.152 20.152 18.516 1.636 18726 6308 1 9 . 1 1 46 46 ALA H H 46 8.060 8.060 7.998 0.062 18726 6309 1 9 . 1 1 47 47 LEU N N 47 116.206 116.206 117.193 -0.987 18726 6310 1 9 . 1 1 47 47 LEU HA H 47 3.902 3.902 4.014 -0.112 18726 6311 1 9 . 1 1 47 47 LEU CA C 47 57.929 57.929 57.285 0.644 18726 6312 1 9 . 1 1 47 47 LEU CB C 47 40.426 40.426 41.660 -1.234 18726 6313 1 9 . 1 1 47 47 LEU H H 47 9.045 9.045 8.366 0.679 18726 6314 1 9 . 1 1 48 48 GLY N N 48 106.001 106.001 106.593 -0.592 18726 6315 1 9 . 1 1 48 48 GLY CA C 48 46.859 46.859 46.919 -0.060 18726 6316 1 9 . 1 1 48 48 GLY H H 48 7.739 7.739 8.226 -0.487 18726 6317 1 9 . 1 1 49 49 ALA N N 49 125.570 125.570 123.911 1.659 18726 6318 1 9 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.335 -0.157 18726 6319 1 9 . 1 1 49 49 ALA CA C 49 54.573 54.573 54.041 0.532 18726 6320 1 9 . 1 1 49 49 ALA CB C 49 18.369 18.369 18.694 -0.325 18726 6321 1 9 . 1 1 49 49 ALA H H 49 7.763 7.763 7.811 -0.048 18726 6322 1 9 . 1 1 50 50 LEU N N 50 116.176 116.176 116.926 -0.750 18726 6323 1 9 . 1 1 50 50 LEU HA H 50 4.178 4.178 4.414 -0.236 18726 6324 1 9 . 1 1 50 50 LEU CA C 50 54.961 54.961 54.210 0.751 18726 6325 1 9 . 1 1 50 50 LEU CB C 50 44.213 44.213 41.985 2.228 18726 6326 1 9 . 1 1 50 50 LEU H H 50 7.519 7.519 7.270 0.249 18726 6327 1 9 . 1 1 51 51 ARG N N 51 115.327 115.327 115.200 0.127 18726 6328 1 9 . 1 1 51 51 ARG HA H 51 3.920 3.920 3.903 0.017 18726 6329 1 9 . 1 1 51 51 ARG CA C 51 56.894 56.894 56.999 -0.105 18726 6330 1 9 . 1 1 51 51 ARG CB C 51 27.559 27.559 27.233 0.326 18726 6331 1 9 . 1 1 51 51 ARG H H 51 7.782 7.782 7.406 0.376 18726 6332 1 9 . 1 1 52 52 ILE N N 52 118.612 118.612 118.120 0.492 18726 6333 1 9 . 1 1 52 52 ILE HA H 52 4.052 4.052 3.962 0.090 18726 6334 1 9 . 1 1 52 52 ILE CA C 52 59.465 59.465 60.104 -0.639 18726 6335 1 9 . 1 1 52 52 ILE CB C 52 36.778 36.778 37.452 -0.674 18726 6336 1 9 . 1 1 52 52 ILE H H 52 7.381 7.381 7.802 -0.421 18726 6337 1 9 . 1 1 53 53 ASN N N 53 124.728 124.728 125.529 -0.801 18726 6338 1 9 . 1 1 53 53 ASN HA H 53 4.435 4.435 4.483 -0.048 18726 6339 1 9 . 1 1 53 53 ASN CA C 53 54.219 54.219 53.925 0.295 18726 6340 1 9 . 1 1 53 53 ASN CB C 53 39.897 39.897 39.991 -0.094 18726 6341 1 9 . 1 1 53 53 ASN H H 53 8.503 8.503 8.597 -0.094 18726 6342 1 9 . 1 1 54 54 ALA HA H 54 4.064 4.064 4.100 -0.036 18726 6343 1 9 . 1 1 54 54 ALA CA C 54 55.772 55.772 54.889 0.882 18726 6344 1 9 . 1 1 54 54 ALA CB C 54 18.926 18.926 18.983 -0.057 18726 6345 1 9 . 1 1 55 55 GLY N N 55 108.675 108.675 106.818 1.857 18726 6346 1 9 . 1 1 55 55 GLY CA C 55 47.165 47.165 46.739 0.427 18726 6347 1 9 . 1 1 55 55 GLY H H 55 8.479 8.479 8.744 -0.265 18726 6348 1 9 . 1 1 56 56 VAL N N 56 124.251 124.251 121.459 2.792 18726 6349 1 9 . 1 1 56 56 VAL HA H 56 3.687 3.687 3.758 -0.071 18726 6350 1 9 . 1 1 56 56 VAL CA C 56 66.160 66.160 64.412 1.748 18726 6351 1 9 . 1 1 56 56 VAL CB C 56 31.598 31.598 31.906 -0.308 18726 6352 1 9 . 1 1 56 56 VAL H H 56 8.035 8.035 7.903 0.132 18726 6353 1 9 . 1 1 57 57 SER N N 57 115.290 115.290 114.712 0.578 18726 6354 1 9 . 1 1 57 57 SER HA H 57 3.992 3.992 4.194 -0.202 18726 6355 1 9 . 1 1 57 57 SER CA C 57 62.881 62.881 61.326 1.555 18726 6356 1 9 . 1 1 57 57 SER CB C 57 62.733 62.733 62.787 -0.054 18726 6357 1 9 . 1 1 57 57 SER H H 57 8.551 8.551 8.447 0.104 18726 6358 1 9 . 1 1 58 58 SER N N 58 117.711 117.711 117.708 0.003 18726 6359 1 9 . 1 1 58 58 SER HA H 58 4.238 4.238 4.351 -0.113 18726 6360 1 9 . 1 1 58 58 SER CA C 58 61.656 61.656 61.696 -0.040 18726 6361 1 9 . 1 1 58 58 SER CB C 58 62.800 62.800 63.490 -0.691 18726 6362 1 9 . 1 1 58 58 SER H H 58 8.176 8.176 7.883 0.293 18726 6363 1 9 . 1 1 59 59 GLN N N 59 122.746 122.746 121.589 1.157 18726 6364 1 9 . 1 1 59 59 GLN HA H 59 4.046 4.046 4.092 -0.046 18726 6365 1 9 . 1 1 59 59 GLN CA C 59 59.249 59.249 58.363 0.886 18726 6366 1 9 . 1 1 59 59 GLN CB C 59 28.980 28.980 28.507 0.473 18726 6367 1 9 . 1 1 59 59 GLN H H 59 7.737 7.737 7.642 0.095 18726 6368 1 9 . 1 1 60 60 LEU N N 60 121.748 121.748 121.774 -0.026 18726 6369 1 9 . 1 1 60 60 LEU HA H 60 3.980 3.980 4.096 -0.116 18726 6370 1 9 . 1 1 60 60 LEU CA C 60 60.483 60.483 58.420 2.063 18726 6371 1 9 . 1 1 60 60 LEU CB C 60 43.378 43.378 42.246 1.132 18726 6372 1 9 . 1 1 60 60 LEU H H 60 8.804 8.804 8.318 0.486 18726 6373 1 9 . 1 1 61 61 THR N N 61 114.366 114.366 112.217 2.149 18726 6374 1 9 . 1 1 61 61 THR HA H 61 3.675 3.675 4.005 -0.330 18726 6375 1 9 . 1 1 61 61 THR CA C 61 67.713 67.713 66.522 1.192 18726 6376 1 9 . 1 1 61 61 THR CB C 61 67.968 67.968 68.295 -0.327 18726 6377 1 9 . 1 1 61 61 THR H H 61 8.654 8.654 7.651 1.003 18726 6378 1 9 . 1 1 62 62 SER N N 62 119.141 119.141 120.002 -0.861 18726 6379 1 9 . 1 1 62 62 SER HA H 62 4.232 4.232 4.203 0.029 18726 6380 1 9 . 1 1 62 62 SER CA C 62 62.217 62.217 62.298 -0.081 18726 6381 1 9 . 1 1 62 62 SER CB C 62 62.900 62.900 63.005 -0.105 18726 6382 1 9 . 1 1 62 62 SER H H 62 8.161 8.161 7.663 0.498 18726 6383 1 9 . 1 1 63 63 ALA N N 63 124.393 124.393 124.167 0.226 18726 6384 1 9 . 1 1 63 63 ALA HA H 63 4.178 4.178 4.196 -0.018 18726 6385 1 9 . 1 1 63 63 ALA CA C 63 55.418 55.418 55.003 0.415 18726 6386 1 9 . 1 1 63 63 ALA CB C 63 19.066 19.066 18.309 0.757 18726 6387 1 9 . 1 1 63 63 ALA H H 63 7.921 7.921 8.037 -0.116 18726 6388 1 9 . 1 1 64 64 VAL N N 64 118.888 118.888 119.163 -0.275 18726 6389 1 9 . 1 1 64 64 VAL HA H 64 3.765 3.765 3.737 0.028 18726 6390 1 9 . 1 1 64 64 VAL CA C 64 66.419 66.419 65.972 0.448 18726 6391 1 9 . 1 1 64 64 VAL CB C 64 31.966 31.966 30.800 1.166 18726 6392 1 9 . 1 1 64 64 VAL H H 64 8.548 8.548 8.352 0.196 18726 6393 1 9 . 1 1 65 65 SER N N 65 115.469 115.469 114.492 0.977 18726 6394 1 9 . 1 1 65 65 SER HA H 65 3.920 3.920 4.110 -0.190 18726 6395 1 9 . 1 1 65 65 SER CA C 65 63.235 63.235 61.950 1.285 18726 6396 1 9 . 1 1 65 65 SER CB C 65 63.291 63.291 62.754 0.537 18726 6397 1 9 . 1 1 65 65 SER H H 65 8.360 8.360 8.481 -0.121 18726 6398 1 9 . 1 1 66 66 GLN N N 66 118.918 118.918 123.112 -4.194 18726 6399 1 9 . 1 1 66 66 GLN HA H 66 3.938 3.938 4.114 -0.176 18726 6400 1 9 . 1 1 66 66 GLN CA C 66 58.844 58.844 58.355 0.489 18726 6401 1 9 . 1 1 66 66 GLN CB C 66 28.810 28.810 28.349 0.461 18726 6402 1 9 . 1 1 66 66 GLN H H 66 7.676 7.676 7.696 -0.020 18726 6403 1 9 . 1 1 67 67 ALA N N 67 120.720 120.720 120.584 0.136 18726 6404 1 9 . 1 1 67 67 ALA HA H 67 4.154 4.154 4.107 0.047 18726 6405 1 9 . 1 1 67 67 ALA CA C 67 55.323 55.323 54.828 0.495 18726 6406 1 9 . 1 1 67 67 ALA CB C 67 19.483 19.483 18.792 0.691 18726 6407 1 9 . 1 1 67 67 ALA H H 67 7.390 7.390 7.897 -0.507 18726 6408 1 9 . 1 1 68 68 VAL N N 68 119.335 119.335 116.994 2.341 18726 6409 1 9 . 1 1 68 68 VAL HA H 68 3.447 3.447 3.699 -0.252 18726 6410 1 9 . 1 1 68 68 VAL CA C 68 66.591 66.591 65.304 1.287 18726 6411 1 9 . 1 1 68 68 VAL CB C 68 31.514 31.514 31.264 0.250 18726 6412 1 9 . 1 1 68 68 VAL H H 68 9.069 9.069 8.055 1.014 18726 6413 1 9 . 1 1 69 69 ALA N N 69 122.568 122.568 119.390 3.178 18726 6414 1 9 . 1 1 69 69 ALA HA H 69 3.962 3.962 4.282 -0.320 18726 6415 1 9 . 1 1 69 69 ALA CA C 69 54.512 54.512 53.569 0.943 18726 6416 1 9 . 1 1 69 69 ALA CB C 69 18.035 18.035 18.385 -0.350 18726 6417 1 9 . 1 1 69 69 ALA H H 69 8.370 8.370 7.710 0.660 18726 6418 1 9 . 1 1 70 70 ASN N N 70 113.242 113.242 116.292 -3.050 18726 6419 1 9 . 1 1 70 70 ASN HA H 70 4.651 4.651 4.722 -0.071 18726 6420 1 9 . 1 1 70 70 ASN CA C 70 52.994 52.994 54.148 -1.154 18726 6421 1 9 . 1 1 70 70 ASN CB C 70 39.897 39.897 40.099 -0.202 18726 6422 1 9 . 1 1 70 70 ASN H H 70 6.987 6.987 7.546 -0.559 18726 6423 1 9 . 1 1 71 71 VAL N N 71 122.456 122.456 119.214 3.242 18726 6424 1 9 . 1 1 71 71 VAL HA H 71 3.591 3.591 3.740 -0.149 18726 6425 1 9 . 1 1 71 71 VAL CA C 71 63.037 63.037 63.092 -0.055 18726 6426 1 9 . 1 1 71 71 VAL CB C 71 31.598 31.598 32.094 -0.496 18726 6427 1 9 . 1 1 71 71 VAL H H 71 7.284 7.284 7.338 -0.054 18726 6428 1 9 . 1 1 72 72 ARG N N 72 108.757 108.757 116.512 -7.755 18726 6429 1 9 . 1 1 72 72 ARG HA H 72 4.387 4.387 4.057 0.330 18726 6430 1 9 . 1 1 72 72 ARG CA C 72 54.487 54.487 56.198 -1.711 18726 6431 1 9 . 1 1 72 72 ARG CB C 72 29.840 29.840 27.534 2.307 18726 6432 1 9 . 1 1 72 72 ARG H H 72 8.700 8.700 7.605 1.095 18726 6433 1 9 . 1 1 73 73 PRO HA H 73 4.399 4.399 4.621 -0.222 18726 6434 1 9 . 1 1 73 73 PRO CA C 73 64.339 64.339 63.352 0.987 18726 6435 1 9 . 1 1 73 73 PRO CB C 73 32.043 32.043 32.075 -0.032 18726 6436 1 9 . 1 1 74 74 GLY N N 74 111.647 111.647 108.340 3.307 18726 6437 1 9 . 1 1 74 74 GLY CA C 74 45.188 45.188 45.122 0.066 18726 6438 1 9 . 1 1 74 74 GLY H H 74 9.447 9.447 8.901 0.546 18726 6439 1 9 . 1 1 75 75 SER N N 75 116.057 116.057 116.064 -0.007 18726 6440 1 9 . 1 1 75 75 SER HA H 75 4.477 4.477 4.704 -0.227 18726 6441 1 9 . 1 1 75 75 SER CA C 75 60.509 60.509 56.539 3.970 18726 6442 1 9 . 1 1 75 75 SER CB C 75 64.710 64.710 65.447 -0.737 18726 6443 1 9 . 1 1 75 75 SER H H 75 7.600 7.600 8.003 -0.403 18726 6444 1 9 . 1 1 76 76 SER N N 76 118.456 118.456 119.133 -0.677 18726 6445 1 9 . 1 1 76 76 SER HA H 76 4.693 4.693 4.499 0.194 18726 6446 1 9 . 1 1 76 76 SER CA C 76 57.247 57.247 57.537 -0.290 18726 6447 1 9 . 1 1 76 76 SER CB C 76 63.011 63.011 63.651 -0.640 18726 6448 1 9 . 1 1 76 76 SER H H 76 8.726 8.726 8.881 -0.155 18726 6449 1 9 . 1 1 77 77 PRO HA H 77 4.262 4.262 4.427 -0.165 18726 6450 1 9 . 1 1 77 77 PRO CA C 77 66.565 66.565 64.579 1.986 18726 6451 1 9 . 1 1 77 77 PRO CB C 77 32.350 32.350 31.937 0.413 18726 6452 1 9 . 1 1 78 78 ALA N N 78 117.189 117.189 121.372 -4.183 18726 6453 1 9 . 1 1 78 78 ALA HA H 78 4.513 4.513 4.263 0.250 18726 6454 1 9 . 1 1 78 78 ALA CA C 78 54.590 54.590 54.531 0.059 18726 6455 1 9 . 1 1 78 78 ALA CB C 78 18.982 18.982 18.592 0.390 18726 6456 1 9 . 1 1 78 78 ALA H H 78 8.085 8.085 8.308 -0.223 18726 6457 1 9 . 1 1 79 79 VAL N N 79 119.946 119.946 116.208 3.738 18726 6458 1 9 . 1 1 79 79 VAL HA H 79 3.609 3.609 3.764 -0.155 18726 6459 1 9 . 1 1 79 79 VAL CA C 79 66.307 66.307 65.424 0.883 18726 6460 1 9 . 1 1 79 79 VAL CB C 79 31.820 31.820 30.360 1.460 18726 6461 1 9 . 1 1 79 79 VAL H H 79 7.741 7.741 7.514 0.227 18726 6462 1 9 . 1 1 80 80 TYR N N 80 117.577 117.577 120.273 -2.696 18726 6463 1 9 . 1 1 80 80 TYR HA H 80 3.867 3.867 4.029 -0.162 18726 6464 1 9 . 1 1 80 80 TYR CA C 80 63.675 63.675 62.513 1.163 18726 6465 1 9 . 1 1 80 80 TYR CB C 80 39.924 39.924 37.808 2.116 18726 6466 1 9 . 1 1 80 80 TYR H H 80 7.207 7.207 7.507 -0.300 18726 6467 1 9 . 1 1 81 81 ALA N N 81 118.761 118.761 119.247 -0.486 18726 6468 1 9 . 1 1 81 81 ALA HA H 81 3.711 3.711 3.941 -0.230 18726 6469 1 9 . 1 1 81 81 ALA CA C 81 55.781 55.781 55.093 0.688 18726 6470 1 9 . 1 1 81 81 ALA CB C 81 20.792 20.792 18.256 2.536 18726 6471 1 9 . 1 1 81 81 ALA H H 81 8.962 8.962 7.966 0.996 18726 6472 1 9 . 1 1 82 82 LYS N N 82 117.778 117.778 119.520 -1.742 18726 6473 1 9 . 1 1 82 82 LYS HA H 82 3.807 3.807 4.091 -0.284 18726 6474 1 9 . 1 1 82 82 LYS CA C 82 60.155 60.155 58.863 1.292 18726 6475 1 9 . 1 1 82 82 LYS CB C 82 32.322 32.322 32.514 -0.193 18726 6476 1 9 . 1 1 82 82 LYS H H 82 7.727 7.727 7.639 0.088 18726 6477 1 9 . 1 1 83 83 ALA N N 83 120.810 120.810 120.650 0.160 18726 6478 1 9 . 1 1 83 83 ALA HA H 83 4.022 4.022 4.188 -0.166 18726 6479 1 9 . 1 1 83 83 ALA CA C 83 54.366 54.366 54.712 -0.346 18726 6480 1 9 . 1 1 83 83 ALA CB C 83 18.453 18.453 18.236 0.217 18726 6481 1 9 . 1 1 83 83 ALA H H 83 7.182 7.182 8.185 -1.003 18726 6482 1 9 . 1 1 84 84 ILE N N 84 109.964 109.964 115.105 -5.141 18726 6483 1 9 . 1 1 84 84 ILE HA H 84 3.861 3.861 4.031 -0.170 18726 6484 1 9 . 1 1 84 84 ILE CA C 84 63.373 63.373 62.552 0.821 18726 6485 1 9 . 1 1 84 84 ILE CB C 84 40.342 40.342 38.585 1.757 18726 6486 1 9 . 1 1 84 84 ILE H H 84 7.109 7.109 7.153 -0.044 18726 6487 1 9 . 1 1 85 85 ALA N N 85 120.162 120.162 122.066 -1.904 18726 6488 1 9 . 1 1 85 85 ALA HA H 85 3.777 3.777 4.415 -0.638 18726 6489 1 9 . 1 1 85 85 ALA CA C 85 55.789 55.789 54.138 1.651 18726 6490 1 9 . 1 1 85 85 ALA CB C 85 20.931 20.931 19.226 1.705 18726 6491 1 9 . 1 1 85 85 ALA H H 85 8.770 8.770 7.577 1.193 18726 6492 1 9 . 1 1 86 86 ALA N N 86 116.824 116.824 123.352 -6.528 18726 6493 1 9 . 1 1 86 86 ALA HA H 86 4.310 4.310 4.057 0.253 18726 6494 1 9 . 1 1 86 86 ALA CA C 86 56.756 56.756 56.822 -0.066 18726 6495 1 9 . 1 1 86 86 ALA CB C 86 15.417 15.417 16.305 -0.888 18726 6496 1 9 . 1 1 86 86 ALA H H 86 8.513 8.513 8.688 -0.175 18726 6497 1 9 . 1 1 87 87 PRO HA H 87 4.405 4.405 4.321 0.084 18726 6498 1 9 . 1 1 87 87 PRO CA C 87 65.185 65.185 65.689 -0.504 18726 6499 1 9 . 1 1 87 87 PRO CB C 87 30.734 30.734 31.255 -0.521 18726 6500 1 9 . 1 1 88 88 SER N N 88 108.653 108.653 113.590 -4.937 18726 6501 1 9 . 1 1 88 88 SER HA H 88 3.861 3.861 4.227 -0.366 18726 6502 1 9 . 1 1 88 88 SER CA C 88 62.735 62.735 61.204 1.531 18726 6503 1 9 . 1 1 88 88 SER CB C 88 63.039 63.039 62.924 0.115 18726 6504 1 9 . 1 1 88 88 SER H H 88 6.474 6.474 7.686 -1.212 18726 6505 1 9 . 1 1 89 89 VAL N N 89 120.951 120.951 123.221 -2.270 18726 6506 1 9 . 1 1 89 89 VAL HA H 89 3.226 3.226 3.569 -0.343 18726 6507 1 9 . 1 1 89 89 VAL CA C 89 67.644 67.644 66.842 0.802 18726 6508 1 9 . 1 1 89 89 VAL CB C 89 30.929 30.929 31.903 -0.974 18726 6509 1 9 . 1 1 89 89 VAL H H 89 8.220 8.220 8.526 -0.306 18726 6510 1 9 . 1 1 90 90 GLN N N 90 117.435 117.435 118.934 -1.499 18726 6511 1 9 . 1 1 90 90 GLN HA H 90 3.873 3.873 3.977 -0.104 18726 6512 1 9 . 1 1 90 90 GLN CA C 90 59.818 59.818 59.096 0.722 18726 6513 1 9 . 1 1 90 90 GLN CB C 90 28.256 28.256 28.360 -0.104 18726 6514 1 9 . 1 1 90 90 GLN H H 90 7.922 7.922 8.073 -0.151 18726 6515 1 9 . 1 1 91 91 ILE N N 91 117.875 117.875 120.173 -2.298 18726 6516 1 9 . 1 1 91 91 ILE HA H 91 4.052 4.052 3.883 0.169 18726 6517 1 9 . 1 1 91 91 ILE CA C 91 63.201 63.201 64.233 -1.032 18726 6518 1 9 . 1 1 91 91 ILE CB C 91 37.613 37.613 38.297 -0.684 18726 6519 1 9 . 1 1 91 91 ILE H H 91 7.532 7.532 7.409 0.123 18726 6520 1 9 . 1 1 92 92 LEU N N 92 123.357 123.357 120.989 2.368 18726 6521 1 9 . 1 1 92 92 LEU HA H 92 3.807 3.807 3.989 -0.182 18726 6522 1 9 . 1 1 92 92 LEU CA C 92 59.171 59.171 58.375 0.796 18726 6523 1 9 . 1 1 92 92 LEU CB C 92 41.205 41.205 41.920 -0.715 18726 6524 1 9 . 1 1 92 92 LEU H H 92 8.481 8.481 8.091 0.390 18726 6525 1 9 . 1 1 93 93 VAL N N 93 118.180 118.180 118.375 -0.195 18726 6526 1 9 . 1 1 93 93 VAL HA H 93 3.873 3.873 3.878 -0.005 18726 6527 1 9 . 1 1 93 93 VAL CA C 93 66.496 66.496 64.646 1.850 18726 6528 1 9 . 1 1 93 93 VAL CB C 93 31.765 31.765 31.927 -0.162 18726 6529 1 9 . 1 1 93 93 VAL H H 93 8.777 8.777 8.549 0.228 18726 6530 1 9 . 1 1 94 94 SER N N 94 118.471 118.471 114.969 3.502 18726 6531 1 9 . 1 1 94 94 SER HA H 94 4.226 4.226 4.341 -0.115 18726 6532 1 9 . 1 1 94 94 SER CA C 94 62.390 62.390 60.705 1.685 18726 6533 1 9 . 1 1 94 94 SER CB C 94 62.733 62.733 63.126 -0.393 18726 6534 1 9 . 1 1 94 94 SER H H 94 8.660 8.660 7.756 0.904 18726 6535 1 9 . 1 1 95 95 SER N N 95 112.698 112.698 114.989 -2.291 18726 6536 1 9 . 1 1 95 95 SER HA H 95 4.441 4.441 4.566 -0.125 18726 6537 1 9 . 1 1 95 95 SER CA C 95 59.301 59.301 58.963 0.338 18726 6538 1 9 . 1 1 95 95 SER CB C 95 65.935 65.935 63.814 2.121 18726 6539 1 9 . 1 1 95 95 SER H H 95 8.048 8.048 7.861 0.187 18726 6540 1 9 . 1 1 96 96 GLY N N 96 110.277 110.277 109.111 1.166 18726 6541 1 9 . 1 1 96 96 GLY CA C 96 45.968 45.968 46.210 -0.242 18726 6542 1 9 . 1 1 96 96 GLY H H 96 7.955 7.955 7.327 0.628 18726 6543 1 9 . 1 1 97 97 SER N N 97 115.595 115.595 115.210 0.385 18726 6544 1 9 . 1 1 97 97 SER HA H 97 4.292 4.292 4.182 0.110 18726 6545 1 9 . 1 1 97 97 SER CA C 97 61.535 61.535 60.616 0.919 18726 6546 1 9 . 1 1 97 97 SER CB C 97 64.042 64.042 63.768 0.274 18726 6547 1 9 . 1 1 97 97 SER H H 97 8.216 8.216 7.994 0.222 18726 6548 1 9 . 1 1 98 98 VAL N N 98 116.579 116.579 115.661 0.918 18726 6549 1 9 . 1 1 98 98 VAL HA H 98 4.884 4.884 4.380 0.504 18726 6550 1 9 . 1 1 98 98 VAL CA C 98 59.111 59.111 60.529 -1.418 18726 6551 1 9 . 1 1 98 98 VAL CB C 98 35.051 35.051 34.711 0.341 18726 6552 1 9 . 1 1 98 98 VAL H H 98 7.288 7.288 7.428 -0.140 18726 6553 1 9 . 1 1 99 99 ASN N N 99 123.722 123.722 122.618 1.104 18726 6554 1 9 . 1 1 99 99 ASN HA H 99 4.627 4.627 4.919 -0.292 18726 6555 1 9 . 1 1 99 99 ASN CA C 99 51.838 51.838 51.346 0.492 18726 6556 1 9 . 1 1 99 99 ASN CB C 99 40.676 40.676 41.319 -0.643 18726 6557 1 9 . 1 1 99 99 ASN H H 99 9.179 9.179 8.441 0.738 18726 6558 1 9 . 1 1 100 100 ASN N N 100 115.148 115.148 119.347 -4.199 18726 6559 1 9 . 1 1 100 100 ASN HA H 100 4.292 4.292 4.574 -0.282 18726 6560 1 9 . 1 1 100 100 ASN CA C 100 56.894 56.894 54.390 2.504 18726 6561 1 9 . 1 1 100 100 ASN CB C 100 38.281 38.281 36.794 1.487 18726 6562 1 9 . 1 1 100 100 ASN H H 100 8.667 8.667 8.669 -0.002 18726 6563 1 9 . 1 1 101 101 ASN N N 101 115.201 115.201 117.452 -2.251 18726 6564 1 9 . 1 1 101 101 ASN HA H 101 4.711 4.711 4.668 0.043 18726 6565 1 9 . 1 1 101 101 ASN CA C 101 55.306 55.306 55.205 0.101 18726 6566 1 9 . 1 1 101 101 ASN CB C 101 39.256 39.256 39.438 -0.182 18726 6567 1 9 . 1 1 101 101 ASN H H 101 8.471 8.471 8.598 -0.127 18726 6568 1 9 . 1 1 102 102 ASN N N 102 116.780 116.780 118.524 -1.744 18726 6569 1 9 . 1 1 102 102 ASN HA H 102 5.124 5.124 4.862 0.262 18726 6570 1 9 . 1 1 102 102 ASN CA C 102 51.950 51.950 53.715 -1.765 18726 6571 1 9 . 1 1 102 102 ASN CB C 102 39.089 39.089 40.247 -1.158 18726 6572 1 9 . 1 1 102 102 ASN H H 102 7.854 7.854 7.826 0.028 18726 6573 1 9 . 1 1 103 103 ALA N N 103 121.808 121.808 124.182 -2.374 18726 6574 1 9 . 1 1 103 103 ALA HA H 103 3.747 3.747 3.893 -0.146 18726 6575 1 9 . 1 1 103 103 ALA CA C 103 57.058 57.058 55.960 1.098 18726 6576 1 9 . 1 1 103 103 ALA CB C 103 19.511 19.511 18.554 0.957 18726 6577 1 9 . 1 1 103 103 ALA H H 103 7.447 7.447 8.119 -0.672 18726 6578 1 9 . 1 1 104 104 LYS N N 104 114.873 114.873 117.468 -2.595 18726 6579 1 9 . 1 1 104 104 LYS HA H 104 3.992 3.992 4.200 -0.208 18726 6580 1 9 . 1 1 104 104 LYS CA C 104 60.284 60.284 59.368 0.916 18726 6581 1 9 . 1 1 104 104 LYS CB C 104 32.322 32.322 31.854 0.468 18726 6582 1 9 . 1 1 104 104 LYS H H 104 8.344 8.344 8.392 -0.048 18726 6583 1 9 . 1 1 105 105 GLN N N 105 120.720 120.720 119.584 1.136 18726 6584 1 9 . 1 1 105 105 GLN HA H 105 4.094 4.094 4.138 -0.044 18726 6585 1 9 . 1 1 105 105 GLN CA C 105 59.137 59.137 59.697 -0.560 18726 6586 1 9 . 1 1 105 105 GLN CB C 105 28.339 28.339 28.631 -0.292 18726 6587 1 9 . 1 1 105 105 GLN H H 105 7.892 7.892 7.376 0.516 18726 6588 1 9 . 1 1 106 106 VAL N N 106 120.556 120.556 120.583 -0.027 18726 6589 1 9 . 1 1 106 106 VAL HA H 106 3.567 3.567 3.741 -0.174 18726 6590 1 9 . 1 1 106 106 VAL CA C 106 66.496 66.496 65.073 1.423 18726 6591 1 9 . 1 1 106 106 VAL CB C 106 31.848 31.848 31.256 0.591 18726 6592 1 9 . 1 1 106 106 VAL H H 106 8.693 8.693 8.743 -0.050 18726 6593 1 9 . 1 1 107 107 ALA N N 107 119.655 119.655 121.762 -2.107 18726 6594 1 9 . 1 1 107 107 ALA HA H 107 3.813 3.813 3.999 -0.186 18726 6595 1 9 . 1 1 107 107 ALA CA C 107 55.884 55.884 55.470 0.414 18726 6596 1 9 . 1 1 107 107 ALA CB C 107 18.174 18.174 18.186 -0.012 18726 6597 1 9 . 1 1 107 107 ALA H H 107 8.750 8.750 8.157 0.593 18726 6598 1 9 . 1 1 108 108 SER N N 108 115.469 115.469 114.341 1.128 18726 6599 1 9 . 1 1 108 108 SER HA H 108 4.304 4.304 4.252 0.052 18726 6600 1 9 . 1 1 108 108 SER CA C 108 61.950 61.950 62.017 -0.067 18726 6601 1 9 . 1 1 108 108 SER CB C 108 63.290 63.290 63.108 0.183 18726 6602 1 9 . 1 1 108 108 SER H H 108 8.162 8.162 7.806 0.356 18726 6603 1 9 . 1 1 109 109 THR N N 109 119.201 119.201 120.295 -1.094 18726 6604 1 9 . 1 1 109 109 THR HA H 109 4.052 4.052 4.077 -0.025 18726 6605 1 9 . 1 1 109 109 THR CA C 109 67.195 67.195 66.760 0.435 18726 6606 1 9 . 1 1 109 109 THR CB C 109 68.832 68.832 68.831 0.001 18726 6607 1 9 . 1 1 109 109 THR H H 109 8.218 8.218 8.158 0.060 18726 6608 1 9 . 1 1 110 110 LEU N N 110 122.329 122.329 122.889 -0.560 18726 6609 1 9 . 1 1 110 110 LEU HA H 110 3.920 3.920 3.927 -0.007 18726 6610 1 9 . 1 1 110 110 LEU CA C 110 59.025 59.025 59.007 0.018 18726 6611 1 9 . 1 1 110 110 LEU CB C 110 43.211 43.211 41.931 1.280 18726 6612 1 9 . 1 1 110 110 LEU H H 110 9.083 9.083 8.571 0.512 18726 6613 1 9 . 1 1 111 111 SER N N 111 113.018 113.018 114.341 -1.323 18726 6614 1 9 . 1 1 111 111 SER HA H 111 3.747 3.747 4.092 -0.345 18726 6615 1 9 . 1 1 111 111 SER CA C 111 63.848 63.848 62.623 1.226 18726 6616 1 9 . 1 1 111 111 SER CB C 111 63.958 63.958 62.652 1.306 18726 6617 1 9 . 1 1 111 111 SER H H 111 8.052 8.052 7.881 0.171 18726 6618 1 9 . 1 1 112 112 GLU N N 112 122.329 122.329 122.560 -0.231 18726 6619 1 9 . 1 1 112 112 GLU HA H 112 3.741 3.741 3.954 -0.213 18726 6620 1 9 . 1 1 112 112 GLU CA C 112 60.431 60.431 59.596 0.835 18726 6621 1 9 . 1 1 112 112 GLU CB C 112 29.199 29.199 29.525 -0.326 18726 6622 1 9 . 1 1 112 112 GLU H H 112 8.358 8.358 8.031 0.327 18726 6623 1 9 . 1 1 113 113 ASN N N 113 113.629 113.629 118.015 -4.386 18726 6624 1 9 . 1 1 113 113 ASN HA H 113 4.375 4.375 4.580 -0.205 18726 6625 1 9 . 1 1 113 113 ASN CA C 113 57.523 57.523 56.397 1.126 18726 6626 1 9 . 1 1 113 113 ASN CB C 113 40.788 40.788 39.235 1.553 18726 6627 1 9 . 1 1 113 113 ASN H H 113 7.265 7.265 8.506 -1.241 18726 6628 1 9 . 1 1 114 114 LEU N N 114 118.054 118.054 123.283 -5.229 18726 6629 1 9 . 1 1 114 114 LEU HA H 114 3.944 3.944 4.133 -0.189 18726 6630 1 9 . 1 1 114 114 LEU CA C 114 58.619 58.619 58.385 0.234 18726 6631 1 9 . 1 1 114 114 LEU CB C 114 43.489 43.489 42.149 1.340 18726 6632 1 9 . 1 1 114 114 LEU H H 114 8.417 8.417 8.617 -0.200 18726 6633 1 9 . 1 1 115 115 VAL N N 115 115.990 115.990 118.583 -2.593 18726 6634 1 9 . 1 1 115 115 VAL HA H 115 3.561 3.561 3.597 -0.036 18726 6635 1 9 . 1 1 115 115 VAL CA C 115 67.730 67.730 66.084 1.646 18726 6636 1 9 . 1 1 115 115 VAL CB C 115 31.820 31.820 31.796 0.024 18726 6637 1 9 . 1 1 115 115 VAL H H 115 8.051 8.051 8.563 -0.512 18726 6638 1 9 . 1 1 116 116 ARG N N 116 116.541 116.541 119.934 -3.393 18726 6639 1 9 . 1 1 116 116 ARG HA H 116 3.771 3.771 3.968 -0.197 18726 6640 1 9 . 1 1 116 116 ARG CA C 116 60.552 60.552 59.750 0.802 18726 6641 1 9 . 1 1 116 116 ARG CB C 116 30.790 30.790 29.998 0.792 18726 6642 1 9 . 1 1 116 116 ARG H H 116 7.799 7.799 7.473 0.326 18726 6643 1 9 . 1 1 117 117 GLU N N 117 116.013 116.013 119.813 -3.800 18726 6644 1 9 . 1 1 117 117 GLU HA H 117 4.627 4.627 4.127 0.500 18726 6645 1 9 . 1 1 117 117 GLU CA C 117 57.593 57.593 59.014 -1.421 18726 6646 1 9 . 1 1 117 117 GLU CB C 117 28.952 28.952 29.137 -0.185 18726 6647 1 9 . 1 1 117 117 GLU H H 117 8.089 8.089 8.244 -0.155 18726 6648 1 9 . 1 1 118 118 MET N N 118 120.497 120.497 119.100 1.397 18726 6649 1 9 . 1 1 118 118 MET HA H 118 4.046 4.046 4.289 -0.243 18726 6650 1 9 . 1 1 118 118 MET CA C 118 60.845 60.845 59.543 1.302 18726 6651 1 9 . 1 1 118 118 MET CB C 118 34.132 34.132 32.602 1.530 18726 6652 1 9 . 1 1 118 118 MET H H 118 8.751 8.751 8.648 0.103 18726 6653 1 9 . 1 1 119 119 ALA N N 119 119.171 119.171 121.600 -2.429 18726 6654 1 9 . 1 1 119 119 ALA HA H 119 3.819 3.819 3.996 -0.177 18726 6655 1 9 . 1 1 119 119 ALA CA C 119 55.979 55.979 55.221 0.758 18726 6656 1 9 . 1 1 119 119 ALA CB C 119 18.954 18.954 18.306 0.648 18726 6657 1 9 . 1 1 119 119 ALA H H 119 7.903 7.903 7.974 -0.071 18726 6658 1 9 . 1 1 120 120 ASN N N 120 115.223 115.223 117.060 -1.837 18726 6659 1 9 . 1 1 120 120 ASN HA H 120 4.465 4.465 4.448 0.017 18726 6660 1 9 . 1 1 120 120 ASN CA C 120 56.480 56.480 56.304 0.176 18726 6661 1 9 . 1 1 120 120 ASN CB C 120 38.922 38.922 38.408 0.514 18726 6662 1 9 . 1 1 120 120 ASN H H 120 7.687 7.687 7.949 -0.262 18726 6663 1 9 . 1 1 121 121 THR N N 121 117.264 117.264 115.998 1.266 18726 6664 1 9 . 1 1 121 121 THR HA H 121 3.956 3.956 4.046 -0.090 18726 6665 1 9 . 1 1 121 121 THR CA C 121 67.074 67.074 65.948 1.126 18726 6666 1 9 . 1 1 121 121 THR CB C 121 68.247 68.247 68.767 -0.520 18726 6667 1 9 . 1 1 121 121 THR H H 121 8.726 8.726 8.237 0.489 18726 6668 1 9 . 1 1 122 122 ALA N N 122 123.581 123.581 124.837 -1.256 18726 6669 1 9 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.242 -0.286 18726 6670 1 9 . 1 1 122 122 ALA CA C 122 55.824 55.824 54.952 0.872 18726 6671 1 9 . 1 1 122 122 ALA CB C 122 16.782 16.782 18.201 -1.419 18726 6672 1 9 . 1 1 122 122 ALA H H 122 8.955 8.955 8.086 0.869 18726 6673 1 9 . 1 1 123 123 ARG N N 123 116.698 116.698 117.177 -0.479 18726 6674 1 9 . 1 1 123 123 ARG HA H 123 4.190 4.190 4.043 0.147 18726 6675 1 9 . 1 1 123 123 ARG CA C 123 59.732 59.732 59.288 0.444 18726 6676 1 9 . 1 1 123 123 ARG CB C 123 30.233 30.233 29.922 0.311 18726 6677 1 9 . 1 1 123 123 ARG H H 123 7.439 7.439 7.932 -0.493 18726 6678 1 9 . 1 1 124 124 ARG N N 124 119.231 119.231 117.355 1.876 18726 6679 1 9 . 1 1 124 124 ARG HA H 124 4.082 4.082 4.035 0.047 18726 6680 1 9 . 1 1 124 124 ARG CA C 124 58.240 58.240 57.745 0.495 18726 6681 1 9 . 1 1 124 124 ARG CB C 124 29.314 29.314 29.709 -0.395 18726 6682 1 9 . 1 1 124 124 ARG H H 124 7.669 7.669 7.448 0.221 18726 6683 1 9 . 1 1 125 125 TYR N N 125 118.650 118.650 117.654 0.996 18726 6684 1 9 . 1 1 125 125 TYR HA H 125 4.567 4.567 4.726 -0.159 18726 6685 1 9 . 1 1 125 125 TYR CA C 125 57.748 57.748 56.131 1.617 18726 6686 1 9 . 1 1 125 125 TYR CB C 125 38.059 38.059 37.252 0.807 18726 6687 1 9 . 1 1 125 125 TYR H H 125 7.606 7.606 7.562 0.044 18726 6688 1 9 . 1 1 126 126 ARG N N 126 110.322 110.322 116.527 -6.205 18726 6689 1 9 . 1 1 126 126 ARG HA H 126 3.789 3.789 4.064 -0.275 18726 6690 1 9 . 1 1 126 126 ARG CA C 126 57.860 57.860 57.560 0.299 18726 6691 1 9 . 1 1 126 126 ARG CB C 126 27.866 27.866 28.945 -1.079 18726 6692 1 9 . 1 1 126 126 ARG H H 126 7.657 7.657 7.775 -0.118 18726 6693 1 9 . 1 1 127 127 VAL N N 127 120.877 120.877 118.618 2.259 18726 6694 1 9 . 1 1 127 127 VAL HA H 127 4.004 4.004 4.271 -0.267 18726 6695 1 9 . 1 1 127 127 VAL CA C 127 62.105 62.105 60.593 1.512 18726 6696 1 9 . 1 1 127 127 VAL CB C 127 31.681 31.681 30.463 1.218 18726 6697 1 9 . 1 1 127 127 VAL H H 127 7.601 7.601 8.209 -0.608 18726 6698 1 9 . 1 1 128 128 ASN N N 128 125.726 125.726 120.732 4.994 18726 6699 1 9 . 1 1 128 128 ASN HA H 128 4.663 4.663 4.569 0.094 18726 6700 1 9 . 1 1 128 128 ASN CA C 128 52.787 52.787 53.152 -0.365 18726 6701 1 9 . 1 1 128 128 ASN CB C 128 39.476 39.476 39.275 0.201 18726 6702 1 9 . 1 1 128 128 ASN H H 128 8.604 8.604 7.841 0.763 18726 6703 1 9 . 1 1 129 129 VAL N N 129 126.963 126.963 121.254 5.709 18726 6704 1 9 . 1 1 129 129 VAL HA H 129 4.286 4.286 4.414 -0.128 18726 6705 1 9 . 1 1 129 129 VAL CA C 129 59.637 59.637 58.505 1.132 18726 6706 1 9 . 1 1 129 129 VAL CB C 129 33.101 33.101 34.723 -1.622 18726 6707 1 9 . 1 1 129 129 VAL H H 129 8.223 8.223 8.083 0.140 18726 6708 1 9 . 1 1 130 130 PRO HA H 130 4.435 4.435 4.567 -0.132 18726 6709 1 9 . 1 1 130 130 PRO CA C 130 63.045 63.045 62.602 0.443 18726 6710 1 9 . 1 1 130 130 PRO CB C 130 32.795 32.795 32.603 0.192 18726 6711 1 9 . 1 1 131 131 GLU N N 131 125.786 125.786 124.279 1.507 18726 6712 1 9 . 1 1 131 131 GLU HA H 131 3.944 3.944 3.847 0.097 18726 6713 1 9 . 1 1 131 131 GLU CA C 131 60.431 60.431 59.781 0.650 18726 6714 1 9 . 1 1 131 131 GLU CB C 131 29.147 29.147 29.551 -0.404 18726 6715 1 9 . 1 1 131 131 GLU H H 131 9.135 9.135 9.061 0.074 18726 6716 1 9 . 1 1 132 132 ALA N N 132 119.640 119.640 120.160 -0.520 18726 6717 1 9 . 1 1 132 132 ALA HA H 132 4.183 4.183 4.183 -0.000 18726 6718 1 9 . 1 1 132 132 ALA CA C 132 55.341 55.341 54.544 0.797 18726 6719 1 9 . 1 1 132 132 ALA CB C 132 18.314 18.314 18.283 0.031 18726 6720 1 9 . 1 1 132 132 ALA H H 132 9.105 9.105 8.332 0.773 18726 6721 1 9 . 1 1 133 133 SER N N 133 114.523 114.523 114.183 0.340 18726 6722 1 9 . 1 1 133 133 SER HA H 133 4.328 4.328 4.294 0.034 18726 6723 1 9 . 1 1 133 133 SER CA C 133 61.673 61.673 60.728 0.945 18726 6724 1 9 . 1 1 133 133 SER CB C 133 62.621 62.621 63.899 -1.278 18726 6725 1 9 . 1 1 133 133 SER H H 133 7.417 7.417 7.930 -0.513 18726 6726 1 9 . 1 1 134 134 VAL N N 134 124.609 124.609 121.893 2.716 18726 6727 1 9 . 1 1 134 134 VAL HA H 134 3.495 3.495 3.704 -0.209 18726 6728 1 9 . 1 1 134 134 VAL CA C 134 66.867 66.867 66.044 0.823 18726 6729 1 9 . 1 1 134 134 VAL CB C 134 31.514 31.514 31.175 0.339 18726 6730 1 9 . 1 1 134 134 VAL H H 134 7.731 7.731 7.989 -0.259 18726 6731 1 9 . 1 1 135 135 GLN N N 135 118.590 118.590 118.986 -0.396 18726 6732 1 9 . 1 1 135 135 GLN HA H 135 3.932 3.932 3.927 0.005 18726 6733 1 9 . 1 1 135 135 GLN CA C 135 59.154 59.154 59.128 0.026 18726 6734 1 9 . 1 1 135 135 GLN CB C 135 27.810 27.810 27.407 0.403 18726 6735 1 9 . 1 1 135 135 GLN H H 135 8.247 8.247 8.316 -0.069 18726 6736 1 9 . 1 1 136 136 ALA N N 136 121.867 121.867 121.391 0.476 18726 6737 1 9 . 1 1 136 136 ALA HA H 136 4.184 4.184 4.080 0.104 18726 6738 1 9 . 1 1 136 136 ALA CA C 136 55.229 55.229 54.840 0.389 18726 6739 1 9 . 1 1 136 136 ALA CB C 136 17.924 17.924 17.689 0.235 18726 6740 1 9 . 1 1 136 136 ALA H H 136 7.617 7.617 7.691 -0.074 18726 6741 1 9 . 1 1 137 137 ASP N N 137 121.450 121.450 119.341 2.109 18726 6742 1 9 . 1 1 137 137 ASP HA H 137 4.423 4.423 4.425 -0.002 18726 6743 1 9 . 1 1 137 137 ASP CA C 137 57.480 57.480 57.235 0.245 18726 6744 1 9 . 1 1 137 137 ASP CB C 137 41.735 41.735 40.231 1.504 18726 6745 1 9 . 1 1 137 137 ASP H H 137 8.097 8.097 7.444 0.653 18726 6746 1 9 . 1 1 138 138 VAL N N 138 121.018 121.018 119.651 1.367 18726 6747 1 9 . 1 1 138 138 VAL HA H 138 3.543 3.543 3.686 -0.143 18726 6748 1 9 . 1 1 138 138 VAL CA C 138 67.644 67.644 66.722 0.922 18726 6749 1 9 . 1 1 138 138 VAL CB C 138 31.625 31.625 31.465 0.161 18726 6750 1 9 . 1 1 138 138 VAL H H 138 8.630 8.630 8.094 0.536 18726 6751 1 9 . 1 1 139 139 SER N N 139 117.279 117.279 116.172 1.107 18726 6752 1 9 . 1 1 139 139 SER HA H 139 4.087 4.087 4.374 -0.287 18726 6753 1 9 . 1 1 139 139 SER CA C 139 62.191 62.191 62.185 0.006 18726 6754 1 9 . 1 1 139 139 SER CB C 139 62.996 62.996 63.291 -0.295 18726 6755 1 9 . 1 1 139 139 SER H H 139 8.146 8.146 8.096 0.050 18726 6756 1 9 . 1 1 140 140 LEU N N 140 123.402 123.402 122.326 1.076 18726 6757 1 9 . 1 1 140 140 LEU HA H 140 4.184 4.184 4.213 -0.029 18726 6758 1 9 . 1 1 140 140 LEU CA C 140 59.025 59.025 58.146 0.879 18726 6759 1 9 . 1 1 140 140 LEU CB C 140 42.459 42.459 42.052 0.407 18726 6760 1 9 . 1 1 140 140 LEU H H 140 8.283 8.283 7.879 0.404 18726 6761 1 9 . 1 1 141 141 VAL N N 141 112.944 112.944 115.932 -2.988 18726 6762 1 9 . 1 1 141 141 VAL HA H 141 3.956 3.956 3.679 0.277 18726 6763 1 9 . 1 1 141 141 VAL CA C 141 66.169 66.169 66.211 -0.042 18726 6764 1 9 . 1 1 141 141 VAL CB C 141 30.762 30.762 30.678 0.084 18726 6765 1 9 . 1 1 141 141 VAL H H 141 8.969 8.969 8.185 0.784 18726 6766 1 9 . 1 1 142 142 THR N N 142 114.612 114.612 113.893 0.719 18726 6767 1 9 . 1 1 142 142 THR HA H 142 4.160 4.160 4.178 -0.018 18726 6768 1 9 . 1 1 142 142 THR CA C 142 65.668 65.668 66.212 -0.544 18726 6769 1 9 . 1 1 142 142 THR CB C 142 68.804 68.804 68.465 0.339 18726 6770 1 9 . 1 1 142 142 THR H H 142 8.134 8.134 8.050 0.084 18726 6771 1 9 . 1 1 143 143 SER N N 143 120.124 120.124 118.694 1.430 18726 6772 1 9 . 1 1 143 143 SER HA H 143 4.292 4.292 4.205 0.087 18726 6773 1 9 . 1 1 143 143 SER CA C 143 62.079 62.079 62.044 0.035 18726 6774 1 9 . 1 1 143 143 SER CB C 143 62.928 62.928 62.699 0.229 18726 6775 1 9 . 1 1 143 143 SER H H 143 8.014 8.014 8.051 -0.037 18726 6776 1 9 . 1 1 144 144 MET N N 144 119.335 119.335 117.755 1.580 18726 6777 1 9 . 1 1 144 144 MET HA H 144 4.226 4.226 4.315 -0.089 18726 6778 1 9 . 1 1 144 144 MET CA C 144 59.189 59.189 58.421 0.768 18726 6779 1 9 . 1 1 144 144 MET CB C 144 33.826 33.826 32.504 1.322 18726 6780 1 9 . 1 1 144 144 MET H H 144 8.172 8.172 7.770 0.402 18726 6781 1 9 . 1 1 145 145 THR N N 145 107.737 107.737 112.726 -4.989 18726 6782 1 9 . 1 1 145 145 THR HA H 145 4.052 4.052 4.257 -0.205 18726 6783 1 9 . 1 1 145 145 THR CA C 145 64.659 64.659 64.553 0.106 18726 6784 1 9 . 1 1 145 145 THR CB C 145 69.138 69.138 68.501 0.637 18726 6785 1 9 . 1 1 145 145 THR H H 145 7.985 7.985 7.662 0.323 18726 6786 1 9 . 1 1 146 146 SER N N 146 113.986 113.986 118.645 -4.659 18726 6787 1 9 . 1 1 146 146 SER HA H 146 4.393 4.393 4.225 0.168 18726 6788 1 9 . 1 1 146 146 SER CA C 146 60.975 60.975 61.146 -0.171 18726 6789 1 9 . 1 1 146 146 SER CB C 146 63.847 63.847 63.153 0.694 18726 6790 1 9 . 1 1 146 146 SER H H 146 7.802 7.802 8.370 -0.568 18726 6791 1 9 . 1 1 147 147 THR N N 147 109.308 109.308 112.945 -3.637 18726 6792 1 9 . 1 1 147 147 THR HA H 147 4.405 4.405 4.525 -0.120 18726 6793 1 9 . 1 1 147 147 THR CA C 147 61.259 61.259 60.869 0.390 18726 6794 1 9 . 1 1 147 147 THR CB C 147 69.556 69.556 68.998 0.558 18726 6795 1 9 . 1 1 147 147 THR H H 147 7.206 7.206 7.597 -0.391 18726 6796 1 9 . 1 1 148 148 PHE N N 148 122.746 122.746 123.983 -1.237 18726 6797 1 9 . 1 1 148 148 PHE HA H 148 4.441 4.441 4.768 -0.327 18726 6798 1 9 . 1 1 148 148 PHE CA C 148 58.913 58.913 57.030 1.883 18726 6799 1 9 . 1 1 148 148 PHE CB C 148 39.952 39.952 40.682 -0.730 18726 6800 1 9 . 1 1 148 148 PHE H H 148 7.299 7.299 7.805 -0.506 18726 6801 1 9 . 1 1 149 149 VAL N N 149 124.892 124.892 126.920 -2.028 18726 6802 1 9 . 1 1 149 149 VAL HA H 149 3.938 3.938 3.887 0.051 18726 6803 1 9 . 1 1 149 149 VAL CA C 149 61.233 61.233 60.082 1.151 18726 6804 1 9 . 1 1 149 149 VAL CB C 149 34.410 34.410 35.088 -0.678 18726 6805 1 9 . 1 1 149 149 VAL H H 149 7.759 7.759 8.267 -0.508 18726 6806 1 9 . 1 1 150 150 ILE N N 150 124.892 124.892 127.909 -3.017 18726 6807 1 9 . 1 1 150 150 ILE HA H 150 4.015 4.015 4.135 -0.120 18726 6808 1 9 . 1 1 150 150 ILE CA C 150 60.655 60.655 60.845 -0.190 18726 6809 1 9 . 1 1 150 150 ILE CB C 150 38.755 38.755 36.104 2.651 18726 6810 1 9 . 1 1 150 150 ILE H H 150 8.120 8.120 8.087 0.033 18726 6811 1 9 . 1 1 151 151 SER N N 151 121.942 121.942 121.605 0.337 18726 6812 1 9 . 1 1 151 151 SER HA H 151 4.483 4.483 4.599 -0.116 18726 6813 1 9 . 1 1 151 151 SER CA C 151 58.136 58.136 57.889 0.247 18726 6814 1 9 . 1 1 151 151 SER CB C 151 64.264 64.264 64.418 -0.154 18726 6815 1 9 . 1 1 151 151 SER H H 151 8.746 8.746 7.958 0.788 18726 6816 1 9 . 1 1 152 152 SER HA H 152 4.453 4.453 4.636 -0.183 18726 6817 1 9 . 1 1 152 152 SER CA C 152 58.481 58.481 59.292 -0.811 18726 6818 1 9 . 1 1 152 152 SER CB C 152 64.188 64.188 63.837 0.351 18726 6819 1 9 . 1 1 153 153 GLN N N 153 122.081 122.081 119.409 2.672 18726 6820 1 9 . 1 1 153 153 GLN HA H 153 4.325 4.325 4.395 -0.070 18726 6821 1 9 . 1 1 153 153 GLN CA C 153 56.104 56.104 56.298 -0.194 18726 6822 1 9 . 1 1 153 153 GLN CB C 153 29.322 29.322 31.107 -1.785 18726 6823 1 9 . 1 1 153 153 GLN H H 153 8.404 8.404 8.456 -0.052 18726 6824 1 9 . 1 1 154 154 THR HA H 154 4.345 4.345 4.689 -0.344 18726 6825 1 9 . 1 1 154 154 THR CA C 154 62.036 62.036 61.425 0.611 18726 6826 1 9 . 1 1 154 154 THR CB C 154 69.806 69.806 71.216 -1.410 18726 6827 1 9 . 1 1 155 155 SER N N 155 118.158 118.158 116.317 1.841 18726 6828 1 9 . 1 1 155 155 SER HA H 155 4.465 4.465 4.536 -0.071 18726 6829 1 9 . 1 1 155 155 SER CA C 155 58.447 58.447 56.832 1.615 18726 6830 1 9 . 1 1 155 155 SER CB C 155 64.069 64.069 65.721 -1.652 18726 6831 1 9 . 1 1 155 155 SER H H 155 8.275 8.275 8.432 -0.157 18726 6832 1 9 . 1 1 156 156 VAL N N 156 121.614 121.614 122.303 -0.689 18726 6833 1 9 . 1 1 156 156 VAL HA H 156 4.094 4.094 3.758 0.336 18726 6834 1 9 . 1 1 156 156 VAL CA C 156 62.553 62.553 64.397 -1.844 18726 6835 1 9 . 1 1 156 156 VAL CB C 156 32.823 32.823 31.307 1.516 18726 6836 1 9 . 1 1 156 156 VAL H H 156 8.103 8.103 8.772 -0.669 18726 6837 1 9 . 1 1 157 157 GLN N N 157 123.938 123.938 117.857 6.081 18726 6838 1 9 . 1 1 157 157 GLN HA H 157 4.310 4.310 4.333 -0.023 18726 6839 1 9 . 1 1 157 157 GLN CA C 157 55.867 55.867 56.383 -0.516 18726 6840 1 9 . 1 1 157 157 GLN CB C 157 29.370 29.370 29.725 -0.355 18726 6841 1 9 . 1 1 157 157 GLN H H 157 8.371 8.371 8.099 0.272 18726 6842 1 9 . 1 1 158 158 MET N N 158 122.300 122.300 118.244 4.056 18726 6843 1 9 . 1 1 158 158 MET HA H 158 4.470 4.470 4.707 -0.237 18726 6844 1 9 . 1 1 158 158 MET CA C 158 55.720 55.720 54.894 0.826 18726 6845 1 9 . 1 1 158 158 MET CB C 158 32.959 32.959 35.234 -2.275 18726 6846 1 9 . 1 1 158 158 MET H H 158 8.425 8.425 8.086 0.339 18726 6847 1 9 . 1 1 159 159 GLY N N 159 110.605 110.605 108.325 2.280 18726 6848 1 9 . 1 1 159 159 GLY CA C 159 45.689 45.689 44.980 0.709 18726 6849 1 9 . 1 1 159 159 GLY H H 159 8.396 8.396 8.339 0.057 18726 6850 1 10 . 1 1 1 1 SER HA H 1 4.417 4.417 4.481 -0.064 18726 6851 1 10 . 1 1 1 1 SER CA C 1 58.904 58.904 58.235 0.669 18726 6852 1 10 . 1 1 1 1 SER CB C 1 64.069 64.069 64.841 -0.772 18726 6853 1 10 . 1 1 2 2 GLY N N 2 110.955 110.955 109.834 1.121 18726 6854 1 10 . 1 1 2 2 GLY CA C 2 45.689 45.689 44.953 0.736 18726 6855 1 10 . 1 1 2 2 GLY H H 2 8.620 8.620 7.924 0.696 18726 6856 1 10 . 1 1 3 3 SER N N 3 116.638 116.638 114.918 1.720 18726 6857 1 10 . 1 1 3 3 SER HA H 3 4.495 4.495 4.000 0.495 18726 6858 1 10 . 1 1 3 3 SER CA C 3 58.386 58.386 58.063 0.323 18726 6859 1 10 . 1 1 3 3 SER CB C 3 64.877 64.877 62.146 2.731 18726 6860 1 10 . 1 1 3 3 SER H H 3 8.459 8.459 8.100 0.359 18726 6861 1 10 . 1 1 4 4 LEU N N 4 123.760 123.760 124.159 -0.399 18726 6862 1 10 . 1 1 4 4 LEU HA H 4 4.094 4.094 4.059 0.035 18726 6863 1 10 . 1 1 4 4 LEU CA C 4 58.973 58.973 58.065 0.908 18726 6864 1 10 . 1 1 4 4 LEU CB C 4 41.594 41.594 41.937 -0.343 18726 6865 1 10 . 1 1 4 4 LEU H H 4 8.700 8.700 8.944 -0.244 18726 6866 1 10 . 1 1 5 5 GLY N N 5 126.963 126.963 105.572 21.391 18726 6867 1 10 . 1 1 5 5 GLY CA C 5 46.887 46.887 47.098 -0.211 18726 6868 1 10 . 1 1 5 5 GLY H H 5 8.814 8.814 8.241 0.573 18726 6869 1 10 . 1 1 6 6 ASP N N 6 125.167 125.167 123.513 1.654 18726 6870 1 10 . 1 1 6 6 ASP HA H 6 4.369 4.369 4.503 -0.134 18726 6871 1 10 . 1 1 6 6 ASP CA C 6 57.972 57.972 57.119 0.853 18726 6872 1 10 . 1 1 6 6 ASP CB C 6 40.957 40.957 40.651 0.306 18726 6873 1 10 . 1 1 6 6 ASP H H 6 8.119 8.119 7.638 0.481 18726 6874 1 10 . 1 1 7 7 GLN N N 7 119.521 119.521 119.008 0.513 18726 6875 1 10 . 1 1 7 7 GLN HA H 7 4.160 4.160 4.038 0.122 18726 6876 1 10 . 1 1 7 7 GLN CA C 7 59.404 59.404 59.014 0.390 18726 6877 1 10 . 1 1 7 7 GLN CB C 7 29.199 29.199 29.025 0.174 18726 6878 1 10 . 1 1 7 7 GLN H H 7 8.398 8.398 8.192 0.206 18726 6879 1 10 . 1 1 8 8 LEU N N 8 121.234 121.234 120.172 1.062 18726 6880 1 10 . 1 1 8 8 LEU HA H 8 3.801 3.801 3.945 -0.144 18726 6881 1 10 . 1 1 8 8 LEU CA C 8 57.722 57.722 58.080 -0.358 18726 6882 1 10 . 1 1 8 8 LEU CB C 8 42.403 42.403 41.326 1.077 18726 6883 1 10 . 1 1 8 8 LEU H H 8 9.087 9.087 8.144 0.943 18726 6884 1 10 . 1 1 9 9 THR N N 9 116.094 116.094 113.347 2.747 18726 6885 1 10 . 1 1 9 9 THR HA H 9 3.513 3.513 3.928 -0.415 18726 6886 1 10 . 1 1 9 9 THR CA C 9 68.886 68.886 66.463 2.423 18726 6887 1 10 . 1 1 9 9 THR CB C 9 67.968 67.968 68.532 -0.564 18726 6888 1 10 . 1 1 9 9 THR H H 9 8.188 8.188 8.773 -0.585 18726 6889 1 10 . 1 1 10 10 SER N N 10 115.044 115.044 118.742 -3.698 18726 6890 1 10 . 1 1 10 10 SER HA H 10 4.154 4.154 4.226 -0.072 18726 6891 1 10 . 1 1 10 10 SER CA C 10 61.898 61.898 62.589 -0.691 18726 6892 1 10 . 1 1 10 10 SER CB C 10 62.900 62.900 62.989 -0.089 18726 6893 1 10 . 1 1 10 10 SER H H 10 7.801 7.801 8.574 -0.773 18726 6894 1 10 . 1 1 11 11 THR N N 11 119.022 119.022 120.239 -1.217 18726 6895 1 10 . 1 1 11 11 THR HA H 11 3.920 3.920 3.885 0.035 18726 6896 1 10 . 1 1 11 11 THR CA C 11 67.747 67.747 67.266 0.481 18726 6897 1 10 . 1 1 11 11 THR CB C 11 68.804 68.804 68.519 0.285 18726 6898 1 10 . 1 1 11 11 THR H H 11 8.147 8.147 8.118 0.029 18726 6899 1 10 . 1 1 12 12 LEU N N 12 120.609 120.609 121.489 -0.880 18726 6900 1 10 . 1 1 12 12 LEU HA H 12 3.890 3.890 3.861 0.029 18726 6901 1 10 . 1 1 12 12 LEU CA C 12 58.265 58.265 58.269 -0.004 18726 6902 1 10 . 1 1 12 12 LEU CB C 12 42.598 42.598 41.415 1.183 18726 6903 1 10 . 1 1 12 12 LEU H H 12 8.368 8.368 8.397 -0.029 18726 6904 1 10 . 1 1 13 13 ALA N N 13 119.231 119.231 120.684 -1.453 18726 6905 1 10 . 1 1 13 13 ALA HA H 13 3.816 3.816 3.990 -0.174 18726 6906 1 10 . 1 1 13 13 ALA CA C 13 55.729 55.729 54.880 0.849 18726 6907 1 10 . 1 1 13 13 ALA CB C 13 17.422 17.422 18.062 -0.640 18726 6908 1 10 . 1 1 13 13 ALA H H 13 8.755 8.755 8.208 0.547 18726 6909 1 10 . 1 1 14 14 SER N N 14 116.251 116.251 115.860 0.391 18726 6910 1 10 . 1 1 14 14 SER HA H 14 4.052 4.052 4.103 -0.051 18726 6911 1 10 . 1 1 14 14 SER CA C 14 62.079 62.079 62.286 -0.207 18726 6912 1 10 . 1 1 14 14 SER CB C 14 63.111 63.111 62.926 0.185 18726 6913 1 10 . 1 1 14 14 SER H H 14 8.318 8.318 8.076 0.242 18726 6914 1 10 . 1 1 15 15 ALA N N 15 121.629 121.629 123.830 -2.201 18726 6915 1 10 . 1 1 15 15 ALA HA H 15 4.166 4.166 4.079 0.087 18726 6916 1 10 . 1 1 15 15 ALA CA C 15 54.918 54.918 54.773 0.145 18726 6917 1 10 . 1 1 15 15 ALA CB C 15 18.397 18.397 18.527 -0.130 18726 6918 1 10 . 1 1 15 15 ALA H H 15 7.943 7.943 8.189 -0.246 18726 6919 1 10 . 1 1 16 16 LEU N N 16 112.541 112.541 118.212 -5.671 18726 6920 1 10 . 1 1 16 16 LEU HA H 16 3.885 3.885 4.081 -0.196 18726 6921 1 10 . 1 1 16 16 LEU CA C 16 57.731 57.731 57.029 0.702 18726 6922 1 10 . 1 1 16 16 LEU CB C 16 42.208 42.208 41.556 0.652 18726 6923 1 10 . 1 1 16 16 LEU H H 16 8.083 8.083 8.113 -0.030 18726 6924 1 10 . 1 1 17 17 THR N N 17 116.527 116.527 112.867 3.660 18726 6925 1 10 . 1 1 17 17 THR HA H 17 3.388 3.388 4.161 -0.773 18726 6926 1 10 . 1 1 17 17 THR CA C 17 67.972 67.972 65.355 2.617 18726 6927 1 10 . 1 1 17 17 THR CB C 17 68.860 68.860 69.036 -0.176 18726 6928 1 10 . 1 1 17 17 THR H H 17 8.044 8.044 7.738 0.306 18726 6929 1 10 . 1 1 18 18 LYS N N 18 115.841 115.841 117.936 -2.095 18726 6930 1 10 . 1 1 18 18 LYS HA H 18 4.142 4.142 4.524 -0.382 18726 6931 1 10 . 1 1 18 18 LYS CA C 18 56.859 56.859 55.176 1.683 18726 6932 1 10 . 1 1 18 18 LYS CB C 18 34.271 34.271 32.794 1.477 18726 6933 1 10 . 1 1 18 18 LYS H H 18 6.810 6.810 7.455 -0.645 18726 6934 1 10 . 1 1 19 19 THR N N 19 108.482 108.482 112.838 -4.356 18726 6935 1 10 . 1 1 19 19 THR HA H 19 4.088 4.088 4.907 -0.819 18726 6936 1 10 . 1 1 19 19 THR CA C 19 61.656 61.656 60.156 1.500 18726 6937 1 10 . 1 1 19 19 THR CB C 19 70.168 70.168 71.806 -1.639 18726 6938 1 10 . 1 1 19 19 THR H H 19 7.419 7.419 7.230 0.189 18726 6939 1 10 . 1 1 20 20 ASN N N 20 126.031 126.031 125.007 1.024 18726 6940 1 10 . 1 1 20 20 ASN HA H 20 4.304 4.304 4.370 -0.066 18726 6941 1 10 . 1 1 20 20 ASN CA C 20 57.247 57.247 56.379 0.868 18726 6942 1 10 . 1 1 20 20 ASN CB C 20 39.033 39.033 37.648 1.385 18726 6943 1 10 . 1 1 20 20 ASN H H 20 11.715 11.715 9.003 2.712 18726 6944 1 10 . 1 1 21 21 THR N N 21 119.223 119.223 115.776 3.447 18726 6945 1 10 . 1 1 21 21 THR HA H 21 3.723 3.723 4.044 -0.321 18726 6946 1 10 . 1 1 21 21 THR CA C 21 68.803 68.803 65.796 3.007 18726 6947 1 10 . 1 1 21 21 THR CB C 21 70.168 70.168 68.739 1.429 18726 6948 1 10 . 1 1 21 21 THR H H 21 10.495 10.495 8.572 1.923 18726 6949 1 10 . 1 1 22 22 LEU N N 22 119.484 119.484 119.810 -0.326 18726 6950 1 10 . 1 1 22 22 LEU HA H 22 3.920 3.920 4.489 -0.569 18726 6951 1 10 . 1 1 22 22 LEU CA C 22 57.360 57.360 56.126 1.234 18726 6952 1 10 . 1 1 22 22 LEU CB C 22 40.983 40.983 42.304 -1.321 18726 6953 1 10 . 1 1 22 22 LEU H H 22 7.908 7.908 8.258 -0.350 18726 6954 1 10 . 1 1 23 23 LYS N N 23 121.033 121.033 120.473 0.560 18726 6955 1 10 . 1 1 23 23 LYS HA H 23 3.843 3.843 4.024 -0.181 18726 6956 1 10 . 1 1 23 23 LYS CA C 23 61.078 61.078 60.008 1.070 18726 6957 1 10 . 1 1 23 23 LYS CB C 23 32.210 32.210 32.271 -0.061 18726 6958 1 10 . 1 1 23 23 LYS H H 23 7.968 7.968 8.192 -0.224 18726 6959 1 10 . 1 1 24 24 ALA N N 24 121.376 121.376 121.810 -0.434 18726 6960 1 10 . 1 1 24 24 ALA HA H 24 4.118 4.118 4.073 0.045 18726 6961 1 10 . 1 1 24 24 ALA CA C 24 54.892 54.892 55.480 -0.588 18726 6962 1 10 . 1 1 24 24 ALA CB C 24 18.564 18.564 18.452 0.112 18726 6963 1 10 . 1 1 24 24 ALA H H 24 8.239 8.239 8.357 -0.118 18726 6964 1 10 . 1 1 25 25 VAL N N 25 118.009 118.009 113.864 4.145 18726 6965 1 10 . 1 1 25 25 VAL HA H 25 3.244 3.244 3.546 -0.302 18726 6966 1 10 . 1 1 25 25 VAL CA C 25 67.420 67.420 65.533 1.887 18726 6967 1 10 . 1 1 25 25 VAL CB C 25 31.904 31.904 31.610 0.294 18726 6968 1 10 . 1 1 25 25 VAL H H 25 7.972 7.972 7.564 0.408 18726 6969 1 10 . 1 1 26 26 SER N N 26 113.107 113.107 116.431 -3.324 18726 6970 1 10 . 1 1 26 26 SER HA H 26 3.645 3.645 3.950 -0.305 18726 6971 1 10 . 1 1 26 26 SER CA C 26 62.157 62.157 61.356 0.801 18726 6972 1 10 . 1 1 26 26 SER CB C 26 63.206 63.206 63.254 -0.048 18726 6973 1 10 . 1 1 26 26 SER H H 26 8.092 8.092 8.005 0.087 18726 6974 1 10 . 1 1 27 27 ALA N N 27 122.069 122.069 123.054 -0.985 18726 6975 1 10 . 1 1 27 27 ALA HA H 27 4.178 4.178 4.249 -0.071 18726 6976 1 10 . 1 1 27 27 ALA CA C 27 54.504 54.504 54.329 0.175 18726 6977 1 10 . 1 1 27 27 ALA CB C 27 18.676 18.676 18.340 0.336 18726 6978 1 10 . 1 1 27 27 ALA H H 27 8.224 8.224 7.986 0.238 18726 6979 1 10 . 1 1 28 28 SER N N 28 111.990 111.990 112.758 -0.768 18726 6980 1 10 . 1 1 28 28 SER HA H 28 4.298 4.298 4.282 0.016 18726 6981 1 10 . 1 1 28 28 SER CA C 28 60.051 60.051 59.639 0.412 18726 6982 1 10 . 1 1 28 28 SER CB C 28 64.376 64.376 63.745 0.631 18726 6983 1 10 . 1 1 28 28 SER H H 28 7.441 7.441 7.532 -0.091 18726 6984 1 10 . 1 1 29 29 LYS N N 29 116.653 116.653 120.640 -3.987 18726 6985 1 10 . 1 1 29 29 LYS HA H 29 4.010 4.010 4.071 -0.061 18726 6986 1 10 . 1 1 29 29 LYS CA C 29 56.859 56.859 56.292 0.567 18726 6987 1 10 . 1 1 29 29 LYS CB C 29 30.957 30.957 31.337 -0.380 18726 6988 1 10 . 1 1 29 29 LYS H H 29 7.725 7.725 7.560 0.165 18726 6989 1 10 . 1 1 30 30 PRO HA H 30 4.501 4.501 4.385 0.116 18726 6990 1 10 . 1 1 30 30 PRO CA C 30 62.709 62.709 63.919 -1.210 18726 6991 1 10 . 1 1 30 30 PRO CB C 30 30.906 30.906 32.224 -1.318 18726 6992 1 10 . 1 1 31 31 SER N N 31 115.595 115.595 111.167 4.428 18726 6993 1 10 . 1 1 31 31 SER HA H 31 4.286 4.286 4.486 -0.200 18726 6994 1 10 . 1 1 31 31 SER CA C 31 57.739 57.739 57.471 0.267 18726 6995 1 10 . 1 1 31 31 SER CB C 31 64.515 64.515 64.270 0.245 18726 6996 1 10 . 1 1 31 31 SER H H 31 8.349 8.349 7.854 0.495 18726 6997 1 10 . 1 1 32 32 ALA N N 32 124.266 124.266 125.455 -1.189 18726 6998 1 10 . 1 1 32 32 ALA HA H 32 4.351 4.351 4.105 0.246 18726 6999 1 10 . 1 1 32 32 ALA CA C 32 55.772 55.772 54.569 1.203 18726 7000 1 10 . 1 1 32 32 ALA CB C 32 18.954 18.954 18.765 0.190 18726 7001 1 10 . 1 1 32 32 ALA H H 32 9.039 9.039 8.821 0.218 18726 7002 1 10 . 1 1 33 33 ASN N N 33 111.722 111.722 116.387 -4.665 18726 7003 1 10 . 1 1 33 33 ASN HA H 33 4.274 4.274 4.519 -0.245 18726 7004 1 10 . 1 1 33 33 ASN CA C 33 56.402 56.402 55.774 0.628 18726 7005 1 10 . 1 1 33 33 ASN CB C 33 37.780 37.780 37.609 0.171 18726 7006 1 10 . 1 1 33 33 ASN H H 33 8.301 8.301 8.707 -0.406 18726 7007 1 10 . 1 1 34 34 VAL N N 34 123.804 123.804 120.207 3.597 18726 7008 1 10 . 1 1 34 34 VAL HA H 34 3.166 3.166 3.699 -0.533 18726 7009 1 10 . 1 1 34 34 VAL CA C 34 66.634 66.634 64.312 2.322 18726 7010 1 10 . 1 1 34 34 VAL CB C 34 31.347 31.347 31.472 -0.125 18726 7011 1 10 . 1 1 34 34 VAL H H 34 7.376 7.376 7.471 -0.095 18726 7012 1 10 . 1 1 35 35 ALA N N 35 122.314 122.314 122.899 -0.585 18726 7013 1 10 . 1 1 35 35 ALA HA H 35 3.591 3.591 3.800 -0.209 18726 7014 1 10 . 1 1 35 35 ALA CA C 35 56.255 56.255 55.431 0.824 18726 7015 1 10 . 1 1 35 35 ALA CB C 35 18.063 18.063 18.261 -0.198 18726 7016 1 10 . 1 1 35 35 ALA H H 35 8.558 8.558 8.540 0.018 18726 7017 1 10 . 1 1 36 36 VAL N N 36 115.595 115.595 117.776 -2.181 18726 7018 1 10 . 1 1 36 36 VAL HA H 36 3.316 3.316 3.689 -0.373 18726 7019 1 10 . 1 1 36 36 VAL CA C 36 67.756 67.756 66.450 1.306 18726 7020 1 10 . 1 1 36 36 VAL CB C 36 32.099 32.099 31.146 0.953 18726 7021 1 10 . 1 1 36 36 VAL H H 36 8.507 8.507 7.578 0.929 18726 7022 1 10 . 1 1 37 37 ALA N N 37 126.247 126.247 123.689 2.558 18726 7023 1 10 . 1 1 37 37 ALA HA H 37 4.040 4.040 4.216 -0.176 18726 7024 1 10 . 1 1 37 37 ALA CA C 37 56.048 56.048 54.906 1.142 18726 7025 1 10 . 1 1 37 37 ALA CB C 37 18.091 18.091 18.596 -0.505 18726 7026 1 10 . 1 1 37 37 ALA H H 37 7.801 7.801 7.326 0.475 18726 7027 1 10 . 1 1 38 38 ILE N N 38 118.344 118.344 119.105 -0.761 18726 7028 1 10 . 1 1 38 38 ILE HA H 38 3.561 3.561 3.762 -0.201 18726 7029 1 10 . 1 1 38 38 ILE CA C 38 66.263 66.263 65.488 0.775 18726 7030 1 10 . 1 1 38 38 ILE CB C 38 39.395 39.395 38.167 1.228 18726 7031 1 10 . 1 1 38 38 ILE H H 38 8.305 8.305 7.966 0.339 18726 7032 1 10 . 1 1 39 39 VAL N N 39 117.264 117.264 120.393 -3.129 18726 7033 1 10 . 1 1 39 39 VAL HA H 39 3.573 3.573 3.735 -0.162 18726 7034 1 10 . 1 1 39 39 VAL CA C 39 67.074 67.074 66.061 1.013 18726 7035 1 10 . 1 1 39 39 VAL CB C 39 32.127 32.127 31.925 0.202 18726 7036 1 10 . 1 1 39 39 VAL H H 39 8.331 8.331 8.170 0.161 18726 7037 1 10 . 1 1 40 40 THR N N 40 112.303 112.303 114.383 -2.080 18726 7038 1 10 . 1 1 40 40 THR HA H 40 3.831 3.831 3.919 -0.088 18726 7039 1 10 . 1 1 40 40 THR CA C 40 67.152 67.152 67.093 0.059 18726 7040 1 10 . 1 1 40 40 THR CB C 40 68.776 68.776 68.289 0.487 18726 7041 1 10 . 1 1 40 40 THR H H 40 9.029 9.029 8.341 0.688 18726 7042 1 10 . 1 1 41 41 SER N N 41 117.085 117.085 118.533 -1.448 18726 7043 1 10 . 1 1 41 41 SER HA H 41 4.274 4.274 4.066 0.208 18726 7044 1 10 . 1 1 41 41 SER CA C 41 62.182 62.182 61.862 0.320 18726 7045 1 10 . 1 1 41 41 SER CB C 41 63.067 63.067 62.929 0.138 18726 7046 1 10 . 1 1 41 41 SER H H 41 7.599 7.599 7.782 -0.183 18726 7047 1 10 . 1 1 42 42 GLY N N 42 107.258 107.258 109.420 -2.162 18726 7048 1 10 . 1 1 42 42 GLY CA C 42 47.917 47.917 46.710 1.207 18726 7049 1 10 . 1 1 42 42 GLY H H 42 7.599 7.599 7.564 0.035 18726 7050 1 10 . 1 1 43 43 LEU N N 43 122.262 122.262 122.905 -0.643 18726 7051 1 10 . 1 1 43 43 LEU HA H 43 3.914 3.914 3.876 0.038 18726 7052 1 10 . 1 1 43 43 LEU CA C 43 57.782 57.782 58.089 -0.307 18726 7053 1 10 . 1 1 43 43 LEU CB C 43 42.876 42.876 41.679 1.197 18726 7054 1 10 . 1 1 43 43 LEU H H 43 8.595 8.595 8.353 0.242 18726 7055 1 10 . 1 1 44 44 LYS N N 44 118.851 118.851 118.566 0.285 18726 7056 1 10 . 1 1 44 44 LYS HA H 44 3.855 3.855 3.957 -0.102 18726 7057 1 10 . 1 1 44 44 LYS CA C 44 60.604 60.604 60.060 0.544 18726 7058 1 10 . 1 1 44 44 LYS CB C 44 32.322 32.322 32.096 0.226 18726 7059 1 10 . 1 1 44 44 LYS H H 44 8.589 8.589 8.409 0.180 18726 7060 1 10 . 1 1 45 45 LYS N N 45 118.322 118.322 120.125 -1.803 18726 7061 1 10 . 1 1 45 45 LYS HA H 45 4.160 4.160 4.057 0.103 18726 7062 1 10 . 1 1 45 45 LYS CA C 45 58.326 58.326 58.858 -0.532 18726 7063 1 10 . 1 1 45 45 LYS CB C 45 32.492 32.492 32.225 0.267 18726 7064 1 10 . 1 1 45 45 LYS H H 45 7.189 7.189 7.669 -0.480 18726 7065 1 10 . 1 1 46 46 ALA N N 46 121.301 121.301 122.242 -0.941 18726 7066 1 10 . 1 1 46 46 ALA HA H 46 3.831 3.831 4.095 -0.264 18726 7067 1 10 . 1 1 46 46 ALA CA C 46 55.539 55.539 55.056 0.483 18726 7068 1 10 . 1 1 46 46 ALA CB C 46 20.152 20.152 18.518 1.634 18726 7069 1 10 . 1 1 46 46 ALA H H 46 8.060 8.060 8.244 -0.184 18726 7070 1 10 . 1 1 47 47 LEU N N 47 116.206 116.206 117.235 -1.029 18726 7071 1 10 . 1 1 47 47 LEU HA H 47 3.902 3.902 3.999 -0.097 18726 7072 1 10 . 1 1 47 47 LEU CA C 47 57.929 57.929 57.471 0.458 18726 7073 1 10 . 1 1 47 47 LEU CB C 47 40.426 40.426 41.649 -1.223 18726 7074 1 10 . 1 1 47 47 LEU H H 47 9.045 9.045 8.342 0.703 18726 7075 1 10 . 1 1 48 48 GLY N N 48 106.001 106.001 106.388 -0.387 18726 7076 1 10 . 1 1 48 48 GLY CA C 48 46.859 46.859 46.761 0.098 18726 7077 1 10 . 1 1 48 48 GLY H H 48 7.739 7.739 8.258 -0.519 18726 7078 1 10 . 1 1 49 49 ALA N N 49 125.570 125.570 123.919 1.651 18726 7079 1 10 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.351 -0.173 18726 7080 1 10 . 1 1 49 49 ALA CA C 49 54.573 54.573 54.071 0.502 18726 7081 1 10 . 1 1 49 49 ALA CB C 49 18.369 18.369 18.736 -0.367 18726 7082 1 10 . 1 1 49 49 ALA H H 49 7.763 7.763 8.089 -0.326 18726 7083 1 10 . 1 1 50 50 LEU N N 50 116.176 116.176 116.731 -0.555 18726 7084 1 10 . 1 1 50 50 LEU HA H 50 4.178 4.178 4.471 -0.293 18726 7085 1 10 . 1 1 50 50 LEU CA C 50 54.961 54.961 53.883 1.079 18726 7086 1 10 . 1 1 50 50 LEU CB C 50 44.213 44.213 42.248 1.965 18726 7087 1 10 . 1 1 50 50 LEU H H 50 7.519 7.519 7.407 0.112 18726 7088 1 10 . 1 1 51 51 ARG N N 51 115.327 115.327 115.374 -0.047 18726 7089 1 10 . 1 1 51 51 ARG HA H 51 3.920 3.920 3.911 0.009 18726 7090 1 10 . 1 1 51 51 ARG CA C 51 56.894 56.894 56.903 -0.009 18726 7091 1 10 . 1 1 51 51 ARG CB C 51 27.559 27.559 27.208 0.351 18726 7092 1 10 . 1 1 51 51 ARG H H 51 7.782 7.782 7.428 0.354 18726 7093 1 10 . 1 1 52 52 ILE N N 52 118.612 118.612 118.116 0.496 18726 7094 1 10 . 1 1 52 52 ILE HA H 52 4.052 4.052 3.926 0.126 18726 7095 1 10 . 1 1 52 52 ILE CA C 52 59.465 59.465 60.214 -0.749 18726 7096 1 10 . 1 1 52 52 ILE CB C 52 36.778 36.778 37.422 -0.644 18726 7097 1 10 . 1 1 52 52 ILE H H 52 7.381 7.381 7.974 -0.593 18726 7098 1 10 . 1 1 53 53 ASN N N 53 124.728 124.728 124.846 -0.118 18726 7099 1 10 . 1 1 53 53 ASN HA H 53 4.435 4.435 4.483 -0.048 18726 7100 1 10 . 1 1 53 53 ASN CA C 53 54.219 54.219 53.785 0.434 18726 7101 1 10 . 1 1 53 53 ASN CB C 53 39.897 39.897 39.940 -0.043 18726 7102 1 10 . 1 1 53 53 ASN H H 53 8.503 8.503 8.677 -0.174 18726 7103 1 10 . 1 1 54 54 ALA HA H 54 4.064 4.064 4.109 -0.045 18726 7104 1 10 . 1 1 54 54 ALA CA C 54 55.772 55.772 54.733 1.040 18726 7105 1 10 . 1 1 54 54 ALA CB C 54 18.926 18.926 18.978 -0.052 18726 7106 1 10 . 1 1 55 55 GLY N N 55 108.675 108.675 108.244 0.431 18726 7107 1 10 . 1 1 55 55 GLY CA C 55 47.165 47.165 47.203 -0.038 18726 7108 1 10 . 1 1 55 55 GLY H H 55 8.479 8.479 8.817 -0.338 18726 7109 1 10 . 1 1 56 56 VAL N N 56 124.251 124.251 120.572 3.679 18726 7110 1 10 . 1 1 56 56 VAL HA H 56 3.687 3.687 3.932 -0.245 18726 7111 1 10 . 1 1 56 56 VAL CA C 56 66.160 66.160 64.189 1.971 18726 7112 1 10 . 1 1 56 56 VAL CB C 56 31.598 31.598 31.792 -0.194 18726 7113 1 10 . 1 1 56 56 VAL H H 56 8.035 8.035 7.528 0.507 18726 7114 1 10 . 1 1 57 57 SER N N 57 115.290 115.290 115.653 -0.363 18726 7115 1 10 . 1 1 57 57 SER HA H 57 3.992 3.992 4.208 -0.216 18726 7116 1 10 . 1 1 57 57 SER CA C 57 62.881 62.881 61.550 1.331 18726 7117 1 10 . 1 1 57 57 SER CB C 57 62.733 62.733 62.474 0.259 18726 7118 1 10 . 1 1 57 57 SER H H 57 8.551 8.551 8.473 0.078 18726 7119 1 10 . 1 1 58 58 SER N N 58 117.711 117.711 117.972 -0.261 18726 7120 1 10 . 1 1 58 58 SER HA H 58 4.238 4.238 4.330 -0.092 18726 7121 1 10 . 1 1 58 58 SER CA C 58 61.656 61.656 60.742 0.914 18726 7122 1 10 . 1 1 58 58 SER CB C 58 62.800 62.800 63.096 -0.296 18726 7123 1 10 . 1 1 58 58 SER H H 58 8.176 8.176 7.824 0.352 18726 7124 1 10 . 1 1 59 59 GLN N N 59 122.746 122.746 121.560 1.186 18726 7125 1 10 . 1 1 59 59 GLN HA H 59 4.046 4.046 4.137 -0.091 18726 7126 1 10 . 1 1 59 59 GLN CA C 59 59.249 59.249 58.262 0.987 18726 7127 1 10 . 1 1 59 59 GLN CB C 59 28.980 28.980 28.437 0.543 18726 7128 1 10 . 1 1 59 59 GLN H H 59 7.737 7.737 7.624 0.113 18726 7129 1 10 . 1 1 60 60 LEU N N 60 121.748 121.748 121.797 -0.049 18726 7130 1 10 . 1 1 60 60 LEU HA H 60 3.980 3.980 4.086 -0.106 18726 7131 1 10 . 1 1 60 60 LEU CA C 60 60.483 60.483 58.749 1.734 18726 7132 1 10 . 1 1 60 60 LEU CB C 60 43.378 43.378 42.153 1.226 18726 7133 1 10 . 1 1 60 60 LEU H H 60 8.804 8.804 8.179 0.625 18726 7134 1 10 . 1 1 61 61 THR N N 61 114.366 114.366 113.260 1.106 18726 7135 1 10 . 1 1 61 61 THR HA H 61 3.675 3.675 4.007 -0.332 18726 7136 1 10 . 1 1 61 61 THR CA C 61 67.713 67.713 66.798 0.915 18726 7137 1 10 . 1 1 61 61 THR CB C 61 67.968 67.968 68.525 -0.557 18726 7138 1 10 . 1 1 61 61 THR H H 61 8.654 8.654 7.606 1.048 18726 7139 1 10 . 1 1 62 62 SER N N 62 119.141 119.141 119.016 0.125 18726 7140 1 10 . 1 1 62 62 SER HA H 62 4.232 4.232 4.261 -0.029 18726 7141 1 10 . 1 1 62 62 SER CA C 62 62.217 62.217 62.089 0.128 18726 7142 1 10 . 1 1 62 62 SER CB C 62 62.900 62.900 62.995 -0.095 18726 7143 1 10 . 1 1 62 62 SER H H 62 8.161 8.161 7.535 0.626 18726 7144 1 10 . 1 1 63 63 ALA N N 63 124.393 124.393 124.414 -0.021 18726 7145 1 10 . 1 1 63 63 ALA HA H 63 4.178 4.178 4.193 -0.015 18726 7146 1 10 . 1 1 63 63 ALA CA C 63 55.418 55.418 54.999 0.418 18726 7147 1 10 . 1 1 63 63 ALA CB C 63 19.066 19.066 18.286 0.780 18726 7148 1 10 . 1 1 63 63 ALA H H 63 7.921 7.921 8.076 -0.155 18726 7149 1 10 . 1 1 64 64 VAL N N 64 118.888 118.888 119.017 -0.129 18726 7150 1 10 . 1 1 64 64 VAL HA H 64 3.765 3.765 3.739 0.026 18726 7151 1 10 . 1 1 64 64 VAL CA C 64 66.419 66.419 65.791 0.628 18726 7152 1 10 . 1 1 64 64 VAL CB C 64 31.966 31.966 30.983 0.983 18726 7153 1 10 . 1 1 64 64 VAL H H 64 8.548 8.548 8.392 0.156 18726 7154 1 10 . 1 1 65 65 SER N N 65 115.469 115.469 114.875 0.594 18726 7155 1 10 . 1 1 65 65 SER HA H 65 3.920 3.920 4.103 -0.183 18726 7156 1 10 . 1 1 65 65 SER CA C 65 63.235 63.235 61.992 1.243 18726 7157 1 10 . 1 1 65 65 SER CB C 65 63.291 63.291 62.855 0.436 18726 7158 1 10 . 1 1 65 65 SER H H 65 8.360 8.360 8.134 0.226 18726 7159 1 10 . 1 1 66 66 GLN N N 66 118.918 118.918 122.768 -3.850 18726 7160 1 10 . 1 1 66 66 GLN HA H 66 3.938 3.938 4.090 -0.152 18726 7161 1 10 . 1 1 66 66 GLN CA C 66 58.844 58.844 58.649 0.195 18726 7162 1 10 . 1 1 66 66 GLN CB C 66 28.810 28.810 28.506 0.304 18726 7163 1 10 . 1 1 66 66 GLN H H 66 7.676 7.676 7.486 0.190 18726 7164 1 10 . 1 1 67 67 ALA N N 67 120.720 120.720 120.651 0.069 18726 7165 1 10 . 1 1 67 67 ALA HA H 67 4.154 4.154 4.107 0.047 18726 7166 1 10 . 1 1 67 67 ALA CA C 67 55.323 55.323 54.908 0.415 18726 7167 1 10 . 1 1 67 67 ALA CB C 67 19.483 19.483 18.791 0.692 18726 7168 1 10 . 1 1 67 67 ALA H H 67 7.390 7.390 7.880 -0.490 18726 7169 1 10 . 1 1 68 68 VAL N N 68 119.335 119.335 116.715 2.620 18726 7170 1 10 . 1 1 68 68 VAL HA H 68 3.447 3.447 3.727 -0.280 18726 7171 1 10 . 1 1 68 68 VAL CA C 68 66.591 66.591 65.138 1.453 18726 7172 1 10 . 1 1 68 68 VAL CB C 68 31.514 31.514 31.222 0.292 18726 7173 1 10 . 1 1 68 68 VAL H H 68 9.069 9.069 7.977 1.092 18726 7174 1 10 . 1 1 69 69 ALA N N 69 122.568 122.568 119.569 2.999 18726 7175 1 10 . 1 1 69 69 ALA HA H 69 3.962 3.962 4.313 -0.351 18726 7176 1 10 . 1 1 69 69 ALA CA C 69 54.512 54.512 53.527 0.985 18726 7177 1 10 . 1 1 69 69 ALA CB C 69 18.035 18.035 18.541 -0.506 18726 7178 1 10 . 1 1 69 69 ALA H H 69 8.370 8.370 7.708 0.662 18726 7179 1 10 . 1 1 70 70 ASN N N 70 113.242 113.242 116.554 -3.312 18726 7180 1 10 . 1 1 70 70 ASN HA H 70 4.651 4.651 4.703 -0.052 18726 7181 1 10 . 1 1 70 70 ASN CA C 70 52.994 52.994 54.260 -1.266 18726 7182 1 10 . 1 1 70 70 ASN CB C 70 39.897 39.897 39.827 0.070 18726 7183 1 10 . 1 1 70 70 ASN H H 70 6.987 6.987 7.523 -0.536 18726 7184 1 10 . 1 1 71 71 VAL N N 71 122.456 122.456 120.097 2.359 18726 7185 1 10 . 1 1 71 71 VAL HA H 71 3.591 3.591 3.758 -0.167 18726 7186 1 10 . 1 1 71 71 VAL CA C 71 63.037 63.037 62.805 0.232 18726 7187 1 10 . 1 1 71 71 VAL CB C 71 31.598 31.598 32.022 -0.424 18726 7188 1 10 . 1 1 71 71 VAL H H 71 7.284 7.284 7.509 -0.225 18726 7189 1 10 . 1 1 72 72 ARG N N 72 108.757 108.757 116.936 -8.179 18726 7190 1 10 . 1 1 72 72 ARG HA H 72 4.387 4.387 4.036 0.351 18726 7191 1 10 . 1 1 72 72 ARG CA C 72 54.487 54.487 56.427 -1.940 18726 7192 1 10 . 1 1 72 72 ARG CB C 72 29.840 29.840 27.522 2.318 18726 7193 1 10 . 1 1 72 72 ARG H H 72 8.700 8.700 7.724 0.976 18726 7194 1 10 . 1 1 73 73 PRO HA H 73 4.399 4.399 4.634 -0.235 18726 7195 1 10 . 1 1 73 73 PRO CA C 73 64.339 64.339 63.336 1.003 18726 7196 1 10 . 1 1 73 73 PRO CB C 73 32.043 32.043 32.082 -0.039 18726 7197 1 10 . 1 1 74 74 GLY N N 74 111.647 111.647 108.930 2.717 18726 7198 1 10 . 1 1 74 74 GLY CA C 74 45.188 45.188 44.999 0.189 18726 7199 1 10 . 1 1 74 74 GLY H H 74 9.447 9.447 8.963 0.484 18726 7200 1 10 . 1 1 75 75 SER N N 75 116.057 116.057 116.402 -0.345 18726 7201 1 10 . 1 1 75 75 SER HA H 75 4.477 4.477 4.678 -0.201 18726 7202 1 10 . 1 1 75 75 SER CA C 75 60.509 60.509 56.648 3.861 18726 7203 1 10 . 1 1 75 75 SER CB C 75 64.710 64.710 65.382 -0.672 18726 7204 1 10 . 1 1 75 75 SER H H 75 7.600 7.600 7.957 -0.357 18726 7205 1 10 . 1 1 76 76 SER N N 76 118.456 118.456 118.985 -0.529 18726 7206 1 10 . 1 1 76 76 SER HA H 76 4.693 4.693 4.505 0.188 18726 7207 1 10 . 1 1 76 76 SER CA C 76 57.247 57.247 57.566 -0.319 18726 7208 1 10 . 1 1 76 76 SER CB C 76 63.011 63.011 63.662 -0.651 18726 7209 1 10 . 1 1 76 76 SER H H 76 8.726 8.726 8.860 -0.134 18726 7210 1 10 . 1 1 77 77 PRO HA H 77 4.262 4.262 4.439 -0.177 18726 7211 1 10 . 1 1 77 77 PRO CA C 77 66.565 66.565 64.576 1.989 18726 7212 1 10 . 1 1 77 77 PRO CB C 77 32.350 32.350 31.930 0.420 18726 7213 1 10 . 1 1 78 78 ALA N N 78 117.189 117.189 121.435 -4.246 18726 7214 1 10 . 1 1 78 78 ALA HA H 78 4.513 4.513 4.270 0.243 18726 7215 1 10 . 1 1 78 78 ALA CA C 78 54.590 54.590 54.531 0.059 18726 7216 1 10 . 1 1 78 78 ALA CB C 78 18.982 18.982 18.596 0.386 18726 7217 1 10 . 1 1 78 78 ALA H H 78 8.085 8.085 8.318 -0.233 18726 7218 1 10 . 1 1 79 79 VAL N N 79 119.946 119.946 116.184 3.762 18726 7219 1 10 . 1 1 79 79 VAL HA H 79 3.609 3.609 3.756 -0.147 18726 7220 1 10 . 1 1 79 79 VAL CA C 79 66.307 66.307 65.435 0.872 18726 7221 1 10 . 1 1 79 79 VAL CB C 79 31.820 31.820 30.338 1.482 18726 7222 1 10 . 1 1 79 79 VAL H H 79 7.741 7.741 7.508 0.233 18726 7223 1 10 . 1 1 80 80 TYR N N 80 117.577 117.577 120.278 -2.701 18726 7224 1 10 . 1 1 80 80 TYR HA H 80 3.867 3.867 4.040 -0.173 18726 7225 1 10 . 1 1 80 80 TYR CA C 80 63.675 63.675 62.490 1.185 18726 7226 1 10 . 1 1 80 80 TYR CB C 80 39.924 39.924 37.753 2.171 18726 7227 1 10 . 1 1 80 80 TYR H H 80 7.207 7.207 7.496 -0.289 18726 7228 1 10 . 1 1 81 81 ALA N N 81 118.761 118.761 119.299 -0.538 18726 7229 1 10 . 1 1 81 81 ALA HA H 81 3.711 3.711 3.939 -0.228 18726 7230 1 10 . 1 1 81 81 ALA CA C 81 55.781 55.781 55.116 0.665 18726 7231 1 10 . 1 1 81 81 ALA CB C 81 20.792 20.792 18.233 2.559 18726 7232 1 10 . 1 1 81 81 ALA H H 81 8.962 8.962 7.984 0.978 18726 7233 1 10 . 1 1 82 82 LYS N N 82 117.778 117.778 119.487 -1.709 18726 7234 1 10 . 1 1 82 82 LYS HA H 82 3.807 3.807 4.104 -0.297 18726 7235 1 10 . 1 1 82 82 LYS CA C 82 60.155 60.155 58.849 1.306 18726 7236 1 10 . 1 1 82 82 LYS CB C 82 32.322 32.322 32.572 -0.250 18726 7237 1 10 . 1 1 82 82 LYS H H 82 7.727 7.727 7.651 0.076 18726 7238 1 10 . 1 1 83 83 ALA N N 83 120.810 120.810 120.907 -0.097 18726 7239 1 10 . 1 1 83 83 ALA HA H 83 4.022 4.022 4.176 -0.154 18726 7240 1 10 . 1 1 83 83 ALA CA C 83 54.366 54.366 54.784 -0.418 18726 7241 1 10 . 1 1 83 83 ALA CB C 83 18.453 18.453 18.221 0.232 18726 7242 1 10 . 1 1 83 83 ALA H H 83 7.182 7.182 8.133 -0.951 18726 7243 1 10 . 1 1 84 84 ILE N N 84 109.964 109.964 114.910 -4.946 18726 7244 1 10 . 1 1 84 84 ILE HA H 84 3.861 3.861 4.017 -0.156 18726 7245 1 10 . 1 1 84 84 ILE CA C 84 63.373 63.373 62.579 0.794 18726 7246 1 10 . 1 1 84 84 ILE CB C 84 40.342 40.342 38.524 1.818 18726 7247 1 10 . 1 1 84 84 ILE H H 84 7.109 7.109 7.140 -0.031 18726 7248 1 10 . 1 1 85 85 ALA N N 85 120.162 120.162 122.058 -1.896 18726 7249 1 10 . 1 1 85 85 ALA HA H 85 3.777 3.777 4.422 -0.645 18726 7250 1 10 . 1 1 85 85 ALA CA C 85 55.789 55.789 54.137 1.652 18726 7251 1 10 . 1 1 85 85 ALA CB C 85 20.931 20.931 19.196 1.735 18726 7252 1 10 . 1 1 85 85 ALA H H 85 8.770 8.770 7.552 1.218 18726 7253 1 10 . 1 1 86 86 ALA N N 86 116.824 116.824 123.318 -6.494 18726 7254 1 10 . 1 1 86 86 ALA HA H 86 4.310 4.310 4.045 0.265 18726 7255 1 10 . 1 1 86 86 ALA CA C 86 56.756 56.756 56.828 -0.072 18726 7256 1 10 . 1 1 86 86 ALA CB C 86 15.417 15.417 16.278 -0.861 18726 7257 1 10 . 1 1 86 86 ALA H H 86 8.513 8.513 8.672 -0.159 18726 7258 1 10 . 1 1 87 87 PRO HA H 87 4.405 4.405 4.279 0.126 18726 7259 1 10 . 1 1 87 87 PRO CA C 87 65.185 65.185 65.248 -0.063 18726 7260 1 10 . 1 1 87 87 PRO CB C 87 30.734 30.734 31.290 -0.556 18726 7261 1 10 . 1 1 88 88 SER N N 88 108.653 108.653 113.650 -4.997 18726 7262 1 10 . 1 1 88 88 SER HA H 88 3.861 3.861 4.218 -0.357 18726 7263 1 10 . 1 1 88 88 SER CA C 88 62.735 62.735 61.253 1.482 18726 7264 1 10 . 1 1 88 88 SER CB C 88 63.039 63.039 62.923 0.116 18726 7265 1 10 . 1 1 88 88 SER H H 88 6.474 6.474 7.690 -1.216 18726 7266 1 10 . 1 1 89 89 VAL N N 89 120.951 120.951 123.160 -2.209 18726 7267 1 10 . 1 1 89 89 VAL HA H 89 3.226 3.226 3.573 -0.347 18726 7268 1 10 . 1 1 89 89 VAL CA C 89 67.644 67.644 66.837 0.807 18726 7269 1 10 . 1 1 89 89 VAL CB C 89 30.929 30.929 31.908 -0.979 18726 7270 1 10 . 1 1 89 89 VAL H H 89 8.220 8.220 8.519 -0.299 18726 7271 1 10 . 1 1 90 90 GLN N N 90 117.435 117.435 119.528 -2.093 18726 7272 1 10 . 1 1 90 90 GLN HA H 90 3.873 3.873 4.011 -0.138 18726 7273 1 10 . 1 1 90 90 GLN CA C 90 59.818 59.818 59.017 0.801 18726 7274 1 10 . 1 1 90 90 GLN CB C 90 28.256 28.256 28.238 0.018 18726 7275 1 10 . 1 1 90 90 GLN H H 90 7.922 7.922 7.994 -0.072 18726 7276 1 10 . 1 1 91 91 ILE N N 91 117.875 117.875 120.517 -2.642 18726 7277 1 10 . 1 1 91 91 ILE HA H 91 4.052 4.052 3.858 0.194 18726 7278 1 10 . 1 1 91 91 ILE CA C 91 63.201 63.201 64.323 -1.122 18726 7279 1 10 . 1 1 91 91 ILE CB C 91 37.613 37.613 38.197 -0.584 18726 7280 1 10 . 1 1 91 91 ILE H H 91 7.532 7.532 7.479 0.053 18726 7281 1 10 . 1 1 92 92 LEU N N 92 123.357 123.357 121.422 1.935 18726 7282 1 10 . 1 1 92 92 LEU HA H 92 3.807 3.807 4.039 -0.232 18726 7283 1 10 . 1 1 92 92 LEU CA C 92 59.171 59.171 58.055 1.116 18726 7284 1 10 . 1 1 92 92 LEU CB C 92 41.205 41.205 41.946 -0.741 18726 7285 1 10 . 1 1 92 92 LEU H H 92 8.481 8.481 8.140 0.341 18726 7286 1 10 . 1 1 93 93 VAL N N 93 118.180 118.180 118.474 -0.294 18726 7287 1 10 . 1 1 93 93 VAL HA H 93 3.873 3.873 3.849 0.024 18726 7288 1 10 . 1 1 93 93 VAL CA C 93 66.496 66.496 64.553 1.943 18726 7289 1 10 . 1 1 93 93 VAL CB C 93 31.765 31.765 31.904 -0.139 18726 7290 1 10 . 1 1 93 93 VAL H H 93 8.777 8.777 8.572 0.205 18726 7291 1 10 . 1 1 94 94 SER N N 94 118.471 118.471 115.180 3.291 18726 7292 1 10 . 1 1 94 94 SER HA H 94 4.226 4.226 4.287 -0.061 18726 7293 1 10 . 1 1 94 94 SER CA C 94 62.390 62.390 60.834 1.556 18726 7294 1 10 . 1 1 94 94 SER CB C 94 62.733 62.733 63.186 -0.453 18726 7295 1 10 . 1 1 94 94 SER H H 94 8.660 8.660 7.737 0.923 18726 7296 1 10 . 1 1 95 95 SER N N 95 112.698 112.698 114.908 -2.210 18726 7297 1 10 . 1 1 95 95 SER HA H 95 4.441 4.441 4.506 -0.065 18726 7298 1 10 . 1 1 95 95 SER CA C 95 59.301 59.301 58.758 0.543 18726 7299 1 10 . 1 1 95 95 SER CB C 95 65.935 65.935 64.755 1.180 18726 7300 1 10 . 1 1 95 95 SER H H 95 8.048 8.048 7.894 0.154 18726 7301 1 10 . 1 1 96 96 GLY N N 96 110.277 110.277 110.116 0.161 18726 7302 1 10 . 1 1 96 96 GLY CA C 96 45.968 45.968 46.107 -0.139 18726 7303 1 10 . 1 1 96 96 GLY H H 96 7.955 7.955 7.413 0.542 18726 7304 1 10 . 1 1 97 97 SER N N 97 115.595 115.595 115.199 0.396 18726 7305 1 10 . 1 1 97 97 SER HA H 97 4.292 4.292 4.164 0.128 18726 7306 1 10 . 1 1 97 97 SER CA C 97 61.535 61.535 61.396 0.139 18726 7307 1 10 . 1 1 97 97 SER CB C 97 64.042 64.042 63.806 0.236 18726 7308 1 10 . 1 1 97 97 SER H H 97 8.216 8.216 7.798 0.418 18726 7309 1 10 . 1 1 98 98 VAL N N 98 116.579 116.579 115.884 0.695 18726 7310 1 10 . 1 1 98 98 VAL HA H 98 4.884 4.884 4.341 0.543 18726 7311 1 10 . 1 1 98 98 VAL CA C 98 59.111 59.111 60.940 -1.829 18726 7312 1 10 . 1 1 98 98 VAL CB C 98 35.051 35.051 34.386 0.665 18726 7313 1 10 . 1 1 98 98 VAL H H 98 7.288 7.288 7.414 -0.126 18726 7314 1 10 . 1 1 99 99 ASN N N 99 123.722 123.722 123.777 -0.055 18726 7315 1 10 . 1 1 99 99 ASN HA H 99 4.627 4.627 4.859 -0.232 18726 7316 1 10 . 1 1 99 99 ASN CA C 99 51.838 51.838 51.668 0.170 18726 7317 1 10 . 1 1 99 99 ASN CB C 99 40.676 40.676 40.548 0.128 18726 7318 1 10 . 1 1 99 99 ASN H H 99 9.179 9.179 8.546 0.633 18726 7319 1 10 . 1 1 100 100 ASN N N 100 115.148 115.148 118.843 -3.695 18726 7320 1 10 . 1 1 100 100 ASN HA H 100 4.292 4.292 4.720 -0.428 18726 7321 1 10 . 1 1 100 100 ASN CA C 100 56.894 56.894 53.685 3.209 18726 7322 1 10 . 1 1 100 100 ASN CB C 100 38.281 38.281 37.143 1.138 18726 7323 1 10 . 1 1 100 100 ASN H H 100 8.667 8.667 8.707 -0.040 18726 7324 1 10 . 1 1 101 101 ASN N N 101 115.201 115.201 116.665 -1.464 18726 7325 1 10 . 1 1 101 101 ASN HA H 101 4.711 4.711 4.664 0.047 18726 7326 1 10 . 1 1 101 101 ASN CA C 101 55.306 55.306 55.141 0.165 18726 7327 1 10 . 1 1 101 101 ASN CB C 101 39.256 39.256 39.197 0.059 18726 7328 1 10 . 1 1 101 101 ASN H H 101 8.471 8.471 8.264 0.207 18726 7329 1 10 . 1 1 102 102 ASN N N 102 116.780 116.780 118.695 -1.915 18726 7330 1 10 . 1 1 102 102 ASN HA H 102 5.124 5.124 4.878 0.246 18726 7331 1 10 . 1 1 102 102 ASN CA C 102 51.950 51.950 53.444 -1.494 18726 7332 1 10 . 1 1 102 102 ASN CB C 102 39.089 39.089 39.507 -0.418 18726 7333 1 10 . 1 1 102 102 ASN H H 102 7.854 7.854 7.956 -0.102 18726 7334 1 10 . 1 1 103 103 ALA N N 103 121.808 121.808 123.781 -1.973 18726 7335 1 10 . 1 1 103 103 ALA HA H 103 3.747 3.747 3.962 -0.215 18726 7336 1 10 . 1 1 103 103 ALA CA C 103 57.058 57.058 55.582 1.476 18726 7337 1 10 . 1 1 103 103 ALA CB C 103 19.511 19.511 18.306 1.205 18726 7338 1 10 . 1 1 103 103 ALA H H 103 7.447 7.447 7.883 -0.436 18726 7339 1 10 . 1 1 104 104 LYS N N 104 114.873 114.873 117.659 -2.786 18726 7340 1 10 . 1 1 104 104 LYS HA H 104 3.992 3.992 4.296 -0.304 18726 7341 1 10 . 1 1 104 104 LYS CA C 104 60.284 60.284 59.286 0.998 18726 7342 1 10 . 1 1 104 104 LYS CB C 104 32.322 32.322 31.730 0.592 18726 7343 1 10 . 1 1 104 104 LYS H H 104 8.344 8.344 8.319 0.025 18726 7344 1 10 . 1 1 105 105 GLN N N 105 120.720 120.720 120.041 0.679 18726 7345 1 10 . 1 1 105 105 GLN HA H 105 4.094 4.094 4.153 -0.059 18726 7346 1 10 . 1 1 105 105 GLN CA C 105 59.137 59.137 59.957 -0.820 18726 7347 1 10 . 1 1 105 105 GLN CB C 105 28.339 28.339 28.415 -0.076 18726 7348 1 10 . 1 1 105 105 GLN H H 105 7.892 7.892 7.486 0.406 18726 7349 1 10 . 1 1 106 106 VAL N N 106 120.556 120.556 120.089 0.467 18726 7350 1 10 . 1 1 106 106 VAL HA H 106 3.567 3.567 3.781 -0.214 18726 7351 1 10 . 1 1 106 106 VAL CA C 106 66.496 66.496 65.087 1.409 18726 7352 1 10 . 1 1 106 106 VAL CB C 106 31.848 31.848 31.416 0.432 18726 7353 1 10 . 1 1 106 106 VAL H H 106 8.693 8.693 8.670 0.023 18726 7354 1 10 . 1 1 107 107 ALA N N 107 119.655 119.655 121.773 -2.118 18726 7355 1 10 . 1 1 107 107 ALA HA H 107 3.813 3.813 3.925 -0.112 18726 7356 1 10 . 1 1 107 107 ALA CA C 107 55.884 55.884 55.522 0.362 18726 7357 1 10 . 1 1 107 107 ALA CB C 107 18.174 18.174 18.176 -0.002 18726 7358 1 10 . 1 1 107 107 ALA H H 107 8.750 8.750 8.078 0.672 18726 7359 1 10 . 1 1 108 108 SER N N 108 115.469 115.469 114.486 0.983 18726 7360 1 10 . 1 1 108 108 SER HA H 108 4.304 4.304 4.261 0.043 18726 7361 1 10 . 1 1 108 108 SER CA C 108 61.950 61.950 61.988 -0.038 18726 7362 1 10 . 1 1 108 108 SER CB C 108 63.290 63.290 63.169 0.121 18726 7363 1 10 . 1 1 108 108 SER H H 108 8.162 8.162 7.864 0.298 18726 7364 1 10 . 1 1 109 109 THR N N 109 119.201 119.201 120.068 -0.867 18726 7365 1 10 . 1 1 109 109 THR HA H 109 4.052 4.052 4.161 -0.109 18726 7366 1 10 . 1 1 109 109 THR CA C 109 67.195 67.195 66.258 0.937 18726 7367 1 10 . 1 1 109 109 THR CB C 109 68.832 68.832 68.854 -0.022 18726 7368 1 10 . 1 1 109 109 THR H H 109 8.218 8.218 8.123 0.095 18726 7369 1 10 . 1 1 110 110 LEU N N 110 122.329 122.329 123.456 -1.127 18726 7370 1 10 . 1 1 110 110 LEU HA H 110 3.920 3.920 3.918 0.002 18726 7371 1 10 . 1 1 110 110 LEU CA C 110 59.025 59.025 59.043 -0.018 18726 7372 1 10 . 1 1 110 110 LEU CB C 110 43.211 43.211 41.951 1.260 18726 7373 1 10 . 1 1 110 110 LEU H H 110 9.083 9.083 8.453 0.630 18726 7374 1 10 . 1 1 111 111 SER N N 111 113.018 113.018 113.657 -0.639 18726 7375 1 10 . 1 1 111 111 SER HA H 111 3.747 3.747 4.080 -0.333 18726 7376 1 10 . 1 1 111 111 SER CA C 111 63.848 63.848 61.829 2.019 18726 7377 1 10 . 1 1 111 111 SER CB C 111 63.958 63.958 62.472 1.486 18726 7378 1 10 . 1 1 111 111 SER H H 111 8.052 8.052 7.864 0.188 18726 7379 1 10 . 1 1 112 112 GLU N N 112 122.329 122.329 123.774 -1.445 18726 7380 1 10 . 1 1 112 112 GLU HA H 112 3.741 3.741 3.957 -0.216 18726 7381 1 10 . 1 1 112 112 GLU CA C 112 60.431 60.431 59.769 0.662 18726 7382 1 10 . 1 1 112 112 GLU CB C 112 29.199 29.199 29.473 -0.274 18726 7383 1 10 . 1 1 112 112 GLU H H 112 8.358 8.358 7.934 0.424 18726 7384 1 10 . 1 1 113 113 ASN N N 113 113.629 113.629 117.873 -4.244 18726 7385 1 10 . 1 1 113 113 ASN HA H 113 4.375 4.375 4.590 -0.215 18726 7386 1 10 . 1 1 113 113 ASN CA C 113 57.523 57.523 56.254 1.269 18726 7387 1 10 . 1 1 113 113 ASN CB C 113 40.788 40.788 39.193 1.595 18726 7388 1 10 . 1 1 113 113 ASN H H 113 7.265 7.265 8.365 -1.100 18726 7389 1 10 . 1 1 114 114 LEU N N 114 118.054 118.054 123.171 -5.117 18726 7390 1 10 . 1 1 114 114 LEU HA H 114 3.944 3.944 4.086 -0.142 18726 7391 1 10 . 1 1 114 114 LEU CA C 114 58.619 58.619 58.446 0.173 18726 7392 1 10 . 1 1 114 114 LEU CB C 114 43.489 43.489 42.128 1.361 18726 7393 1 10 . 1 1 114 114 LEU H H 114 8.417 8.417 8.598 -0.181 18726 7394 1 10 . 1 1 115 115 VAL N N 115 115.990 115.990 118.470 -2.480 18726 7395 1 10 . 1 1 115 115 VAL HA H 115 3.561 3.561 3.595 -0.034 18726 7396 1 10 . 1 1 115 115 VAL CA C 115 67.730 67.730 67.083 0.647 18726 7397 1 10 . 1 1 115 115 VAL CB C 115 31.820 31.820 31.231 0.589 18726 7398 1 10 . 1 1 115 115 VAL H H 115 8.051 8.051 8.598 -0.547 18726 7399 1 10 . 1 1 116 116 ARG N N 116 116.541 116.541 120.365 -3.824 18726 7400 1 10 . 1 1 116 116 ARG HA H 116 3.771 3.771 3.874 -0.103 18726 7401 1 10 . 1 1 116 116 ARG CA C 116 60.552 60.552 60.007 0.545 18726 7402 1 10 . 1 1 116 116 ARG CB C 116 30.790 30.790 30.032 0.758 18726 7403 1 10 . 1 1 116 116 ARG H H 116 7.799 7.799 7.501 0.298 18726 7404 1 10 . 1 1 117 117 GLU N N 117 116.013 116.013 119.214 -3.201 18726 7405 1 10 . 1 1 117 117 GLU HA H 117 4.627 4.627 4.165 0.462 18726 7406 1 10 . 1 1 117 117 GLU CA C 117 57.593 57.593 58.916 -1.323 18726 7407 1 10 . 1 1 117 117 GLU CB C 117 28.952 28.952 29.209 -0.257 18726 7408 1 10 . 1 1 117 117 GLU H H 117 8.089 8.089 8.139 -0.050 18726 7409 1 10 . 1 1 118 118 MET N N 118 120.497 120.497 120.144 0.353 18726 7410 1 10 . 1 1 118 118 MET HA H 118 4.046 4.046 4.301 -0.255 18726 7411 1 10 . 1 1 118 118 MET CA C 118 60.845 60.845 59.526 1.319 18726 7412 1 10 . 1 1 118 118 MET CB C 118 34.132 34.132 32.623 1.509 18726 7413 1 10 . 1 1 118 118 MET H H 118 8.751 8.751 8.556 0.195 18726 7414 1 10 . 1 1 119 119 ALA N N 119 119.171 119.171 121.088 -1.917 18726 7415 1 10 . 1 1 119 119 ALA HA H 119 3.819 3.819 4.029 -0.210 18726 7416 1 10 . 1 1 119 119 ALA CA C 119 55.979 55.979 55.243 0.736 18726 7417 1 10 . 1 1 119 119 ALA CB C 119 18.954 18.954 18.303 0.651 18726 7418 1 10 . 1 1 119 119 ALA H H 119 7.903 7.903 8.785 -0.882 18726 7419 1 10 . 1 1 120 120 ASN N N 120 115.223 115.223 115.481 -0.258 18726 7420 1 10 . 1 1 120 120 ASN HA H 120 4.465 4.465 4.553 -0.088 18726 7421 1 10 . 1 1 120 120 ASN CA C 120 56.480 56.480 55.708 0.772 18726 7422 1 10 . 1 1 120 120 ASN CB C 120 38.922 38.922 38.529 0.393 18726 7423 1 10 . 1 1 120 120 ASN H H 120 7.687 7.687 7.904 -0.217 18726 7424 1 10 . 1 1 121 121 THR N N 121 117.264 117.264 115.362 1.902 18726 7425 1 10 . 1 1 121 121 THR HA H 121 3.956 3.956 4.337 -0.381 18726 7426 1 10 . 1 1 121 121 THR CA C 121 67.074 67.074 65.502 1.572 18726 7427 1 10 . 1 1 121 121 THR CB C 121 68.247 68.247 69.411 -1.164 18726 7428 1 10 . 1 1 121 121 THR H H 121 8.726 8.726 7.876 0.850 18726 7429 1 10 . 1 1 122 122 ALA N N 122 123.581 123.581 125.343 -1.762 18726 7430 1 10 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.254 -0.298 18726 7431 1 10 . 1 1 122 122 ALA CA C 122 55.824 55.824 55.105 0.719 18726 7432 1 10 . 1 1 122 122 ALA CB C 122 16.782 16.782 18.422 -1.640 18726 7433 1 10 . 1 1 122 122 ALA H H 122 8.955 8.955 8.635 0.320 18726 7434 1 10 . 1 1 123 123 ARG N N 123 116.698 116.698 116.800 -0.102 18726 7435 1 10 . 1 1 123 123 ARG HA H 123 4.190 4.190 4.107 0.083 18726 7436 1 10 . 1 1 123 123 ARG CA C 123 59.732 59.732 59.045 0.687 18726 7437 1 10 . 1 1 123 123 ARG CB C 123 30.233 30.233 29.628 0.605 18726 7438 1 10 . 1 1 123 123 ARG H H 123 7.439 7.439 7.963 -0.524 18726 7439 1 10 . 1 1 124 124 ARG N N 124 119.231 119.231 118.546 0.685 18726 7440 1 10 . 1 1 124 124 ARG HA H 124 4.082 4.082 4.082 0.000 18726 7441 1 10 . 1 1 124 124 ARG CA C 124 58.240 58.240 57.740 0.500 18726 7442 1 10 . 1 1 124 124 ARG CB C 124 29.314 29.314 29.895 -0.581 18726 7443 1 10 . 1 1 124 124 ARG H H 124 7.669 7.669 7.602 0.067 18726 7444 1 10 . 1 1 125 125 TYR N N 125 118.650 118.650 117.753 0.897 18726 7445 1 10 . 1 1 125 125 TYR HA H 125 4.567 4.567 4.695 -0.128 18726 7446 1 10 . 1 1 125 125 TYR CA C 125 57.748 57.748 57.015 0.733 18726 7447 1 10 . 1 1 125 125 TYR CB C 125 38.059 38.059 37.360 0.699 18726 7448 1 10 . 1 1 125 125 TYR H H 125 7.606 7.606 7.713 -0.107 18726 7449 1 10 . 1 1 126 126 ARG N N 126 110.322 110.322 116.415 -6.093 18726 7450 1 10 . 1 1 126 126 ARG HA H 126 3.789 3.789 4.090 -0.301 18726 7451 1 10 . 1 1 126 126 ARG CA C 126 57.860 57.860 57.603 0.257 18726 7452 1 10 . 1 1 126 126 ARG CB C 126 27.866 27.866 29.325 -1.459 18726 7453 1 10 . 1 1 126 126 ARG H H 126 7.657 7.657 7.747 -0.090 18726 7454 1 10 . 1 1 127 127 VAL N N 127 120.877 120.877 118.851 2.026 18726 7455 1 10 . 1 1 127 127 VAL HA H 127 4.004 4.004 4.253 -0.249 18726 7456 1 10 . 1 1 127 127 VAL CA C 127 62.105 62.105 61.322 0.783 18726 7457 1 10 . 1 1 127 127 VAL CB C 127 31.681 31.681 30.055 1.626 18726 7458 1 10 . 1 1 127 127 VAL H H 127 7.601 7.601 7.989 -0.388 18726 7459 1 10 . 1 1 128 128 ASN N N 128 125.726 125.726 120.001 5.725 18726 7460 1 10 . 1 1 128 128 ASN HA H 128 4.663 4.663 4.493 0.170 18726 7461 1 10 . 1 1 128 128 ASN CA C 128 52.787 52.787 53.900 -1.113 18726 7462 1 10 . 1 1 128 128 ASN CB C 128 39.476 39.476 38.864 0.612 18726 7463 1 10 . 1 1 128 128 ASN H H 128 8.604 8.604 7.542 1.062 18726 7464 1 10 . 1 1 129 129 VAL N N 129 126.963 126.963 124.278 2.685 18726 7465 1 10 . 1 1 129 129 VAL HA H 129 4.286 4.286 4.357 -0.071 18726 7466 1 10 . 1 1 129 129 VAL CA C 129 59.637 59.637 59.175 0.462 18726 7467 1 10 . 1 1 129 129 VAL CB C 129 33.101 33.101 34.069 -0.968 18726 7468 1 10 . 1 1 129 129 VAL H H 129 8.223 8.223 8.361 -0.138 18726 7469 1 10 . 1 1 130 130 PRO HA H 130 4.435 4.435 4.580 -0.145 18726 7470 1 10 . 1 1 130 130 PRO CA C 130 63.045 63.045 62.454 0.591 18726 7471 1 10 . 1 1 130 130 PRO CB C 130 32.795 32.795 32.857 -0.062 18726 7472 1 10 . 1 1 131 131 GLU N N 131 125.786 125.786 123.546 2.240 18726 7473 1 10 . 1 1 131 131 GLU HA H 131 3.944 3.944 3.856 0.088 18726 7474 1 10 . 1 1 131 131 GLU CA C 131 60.431 60.431 59.947 0.484 18726 7475 1 10 . 1 1 131 131 GLU CB C 131 29.147 29.147 29.482 -0.335 18726 7476 1 10 . 1 1 131 131 GLU H H 131 9.135 9.135 9.066 0.069 18726 7477 1 10 . 1 1 132 132 ALA N N 132 119.640 119.640 120.627 -0.987 18726 7478 1 10 . 1 1 132 132 ALA HA H 132 4.183 4.183 4.187 -0.004 18726 7479 1 10 . 1 1 132 132 ALA CA C 132 55.341 55.341 54.608 0.734 18726 7480 1 10 . 1 1 132 132 ALA CB C 132 18.314 18.314 18.290 0.024 18726 7481 1 10 . 1 1 132 132 ALA H H 132 9.105 9.105 8.274 0.831 18726 7482 1 10 . 1 1 133 133 SER N N 133 114.523 114.523 114.082 0.441 18726 7483 1 10 . 1 1 133 133 SER HA H 133 4.328 4.328 4.294 0.034 18726 7484 1 10 . 1 1 133 133 SER CA C 133 61.673 61.673 60.780 0.893 18726 7485 1 10 . 1 1 133 133 SER CB C 133 62.621 62.621 63.760 -1.139 18726 7486 1 10 . 1 1 133 133 SER H H 133 7.417 7.417 7.863 -0.446 18726 7487 1 10 . 1 1 134 134 VAL N N 134 124.609 124.609 121.807 2.802 18726 7488 1 10 . 1 1 134 134 VAL HA H 134 3.495 3.495 3.697 -0.202 18726 7489 1 10 . 1 1 134 134 VAL CA C 134 66.867 66.867 66.105 0.762 18726 7490 1 10 . 1 1 134 134 VAL CB C 134 31.514 31.514 31.197 0.317 18726 7491 1 10 . 1 1 134 134 VAL H H 134 7.731 7.731 7.825 -0.094 18726 7492 1 10 . 1 1 135 135 GLN N N 135 118.590 118.590 119.474 -0.884 18726 7493 1 10 . 1 1 135 135 GLN HA H 135 3.932 3.932 4.016 -0.084 18726 7494 1 10 . 1 1 135 135 GLN CA C 135 59.154 59.154 58.963 0.191 18726 7495 1 10 . 1 1 135 135 GLN CB C 135 27.810 27.810 27.114 0.696 18726 7496 1 10 . 1 1 135 135 GLN H H 135 8.247 8.247 8.257 -0.010 18726 7497 1 10 . 1 1 136 136 ALA N N 136 121.867 121.867 121.419 0.448 18726 7498 1 10 . 1 1 136 136 ALA HA H 136 4.184 4.184 4.080 0.104 18726 7499 1 10 . 1 1 136 136 ALA CA C 136 55.229 55.229 54.878 0.351 18726 7500 1 10 . 1 1 136 136 ALA CB C 136 17.924 17.924 17.646 0.278 18726 7501 1 10 . 1 1 136 136 ALA H H 136 7.617 7.617 7.686 -0.069 18726 7502 1 10 . 1 1 137 137 ASP N N 137 121.450 121.450 119.136 2.314 18726 7503 1 10 . 1 1 137 137 ASP HA H 137 4.423 4.423 4.422 0.001 18726 7504 1 10 . 1 1 137 137 ASP CA C 137 57.480 57.480 57.318 0.162 18726 7505 1 10 . 1 1 137 137 ASP CB C 137 41.735 41.735 40.241 1.494 18726 7506 1 10 . 1 1 137 137 ASP H H 137 8.097 8.097 7.431 0.666 18726 7507 1 10 . 1 1 138 138 VAL N N 138 121.018 121.018 119.674 1.344 18726 7508 1 10 . 1 1 138 138 VAL HA H 138 3.543 3.543 3.675 -0.132 18726 7509 1 10 . 1 1 138 138 VAL CA C 138 67.644 67.644 66.627 1.017 18726 7510 1 10 . 1 1 138 138 VAL CB C 138 31.625 31.625 31.229 0.397 18726 7511 1 10 . 1 1 138 138 VAL H H 138 8.630 8.630 8.111 0.519 18726 7512 1 10 . 1 1 139 139 SER N N 139 117.279 117.279 116.383 0.896 18726 7513 1 10 . 1 1 139 139 SER HA H 139 4.087 4.087 4.335 -0.248 18726 7514 1 10 . 1 1 139 139 SER CA C 139 62.191 62.191 61.437 0.754 18726 7515 1 10 . 1 1 139 139 SER CB C 139 62.996 62.996 63.191 -0.195 18726 7516 1 10 . 1 1 139 139 SER H H 139 8.146 8.146 7.976 0.170 18726 7517 1 10 . 1 1 140 140 LEU N N 140 123.402 123.402 123.170 0.232 18726 7518 1 10 . 1 1 140 140 LEU HA H 140 4.184 4.184 4.140 0.044 18726 7519 1 10 . 1 1 140 140 LEU CA C 140 59.025 59.025 58.254 0.771 18726 7520 1 10 . 1 1 140 140 LEU CB C 140 42.459 42.459 42.169 0.290 18726 7521 1 10 . 1 1 140 140 LEU H H 140 8.283 8.283 7.763 0.520 18726 7522 1 10 . 1 1 141 141 VAL N N 141 112.944 112.944 114.906 -1.962 18726 7523 1 10 . 1 1 141 141 VAL HA H 141 3.956 3.956 3.591 0.365 18726 7524 1 10 . 1 1 141 141 VAL CA C 141 66.169 66.169 66.487 -0.318 18726 7525 1 10 . 1 1 141 141 VAL CB C 141 30.762 30.762 31.581 -0.820 18726 7526 1 10 . 1 1 141 141 VAL H H 141 8.969 8.969 8.107 0.862 18726 7527 1 10 . 1 1 142 142 THR N N 142 114.612 114.612 113.834 0.778 18726 7528 1 10 . 1 1 142 142 THR HA H 142 4.160 4.160 4.139 0.021 18726 7529 1 10 . 1 1 142 142 THR CA C 142 65.668 65.668 65.941 -0.273 18726 7530 1 10 . 1 1 142 142 THR CB C 142 68.804 68.804 68.507 0.297 18726 7531 1 10 . 1 1 142 142 THR H H 142 8.134 8.134 8.165 -0.031 18726 7532 1 10 . 1 1 143 143 SER N N 143 120.124 120.124 118.387 1.737 18726 7533 1 10 . 1 1 143 143 SER HA H 143 4.292 4.292 4.230 0.062 18726 7534 1 10 . 1 1 143 143 SER CA C 143 62.079 62.079 62.077 0.002 18726 7535 1 10 . 1 1 143 143 SER CB C 143 62.928 62.928 62.872 0.056 18726 7536 1 10 . 1 1 143 143 SER H H 143 8.014 8.014 8.076 -0.062 18726 7537 1 10 . 1 1 144 144 MET N N 144 119.335 119.335 119.319 0.016 18726 7538 1 10 . 1 1 144 144 MET HA H 144 4.226 4.226 4.284 -0.058 18726 7539 1 10 . 1 1 144 144 MET CA C 144 59.189 59.189 58.759 0.430 18726 7540 1 10 . 1 1 144 144 MET CB C 144 33.826 33.826 32.557 1.269 18726 7541 1 10 . 1 1 144 144 MET H H 144 8.172 8.172 7.910 0.262 18726 7542 1 10 . 1 1 145 145 THR N N 145 107.737 107.737 115.013 -7.276 18726 7543 1 10 . 1 1 145 145 THR HA H 145 4.052 4.052 4.133 -0.081 18726 7544 1 10 . 1 1 145 145 THR CA C 145 64.659 64.659 65.537 -0.878 18726 7545 1 10 . 1 1 145 145 THR CB C 145 69.138 69.138 67.768 1.370 18726 7546 1 10 . 1 1 145 145 THR H H 145 7.985 7.985 7.965 0.020 18726 7547 1 10 . 1 1 146 146 SER N N 146 113.986 113.986 118.400 -4.414 18726 7548 1 10 . 1 1 146 146 SER HA H 146 4.393 4.393 4.191 0.202 18726 7549 1 10 . 1 1 146 146 SER CA C 146 60.975 60.975 62.313 -1.339 18726 7550 1 10 . 1 1 146 146 SER CB C 146 63.847 63.847 63.184 0.663 18726 7551 1 10 . 1 1 146 146 SER H H 146 7.802 7.802 8.299 -0.497 18726 7552 1 10 . 1 1 147 147 THR N N 147 109.308 109.308 111.632 -2.324 18726 7553 1 10 . 1 1 147 147 THR HA H 147 4.405 4.405 4.466 -0.061 18726 7554 1 10 . 1 1 147 147 THR CA C 147 61.259 61.259 60.563 0.695 18726 7555 1 10 . 1 1 147 147 THR CB C 147 69.556 69.556 69.129 0.427 18726 7556 1 10 . 1 1 147 147 THR H H 147 7.206 7.206 7.386 -0.180 18726 7557 1 10 . 1 1 148 148 PHE N N 148 122.746 122.746 124.219 -1.473 18726 7558 1 10 . 1 1 148 148 PHE HA H 148 4.441 4.441 4.627 -0.186 18726 7559 1 10 . 1 1 148 148 PHE CA C 148 58.913 58.913 57.262 1.651 18726 7560 1 10 . 1 1 148 148 PHE CB C 148 39.952 39.952 39.706 0.246 18726 7561 1 10 . 1 1 148 148 PHE H H 148 7.299 7.299 8.187 -0.888 18726 7562 1 10 . 1 1 149 149 VAL N N 149 124.892 124.892 127.755 -2.863 18726 7563 1 10 . 1 1 149 149 VAL HA H 149 3.938 3.938 3.992 -0.054 18726 7564 1 10 . 1 1 149 149 VAL CA C 149 61.233 61.233 60.268 0.965 18726 7565 1 10 . 1 1 149 149 VAL CB C 149 34.410 34.410 34.173 0.237 18726 7566 1 10 . 1 1 149 149 VAL H H 149 7.759 7.759 8.258 -0.499 18726 7567 1 10 . 1 1 150 150 ILE N N 150 124.892 124.892 126.918 -2.026 18726 7568 1 10 . 1 1 150 150 ILE HA H 150 4.015 4.015 3.833 0.182 18726 7569 1 10 . 1 1 150 150 ILE CA C 150 60.655 60.655 61.309 -0.654 18726 7570 1 10 . 1 1 150 150 ILE CB C 150 38.755 38.755 38.062 0.694 18726 7571 1 10 . 1 1 150 150 ILE H H 150 8.120 8.120 8.062 0.058 18726 7572 1 10 . 1 1 151 151 SER N N 151 121.942 121.942 119.624 2.318 18726 7573 1 10 . 1 1 151 151 SER HA H 151 4.483 4.483 4.563 -0.080 18726 7574 1 10 . 1 1 151 151 SER CA C 151 58.136 58.136 57.585 0.551 18726 7575 1 10 . 1 1 151 151 SER CB C 151 64.264 64.264 63.779 0.485 18726 7576 1 10 . 1 1 151 151 SER H H 151 8.746 8.746 8.317 0.429 18726 7577 1 10 . 1 1 152 152 SER HA H 152 4.453 4.453 4.165 0.288 18726 7578 1 10 . 1 1 152 152 SER CA C 152 58.481 58.481 61.100 -2.619 18726 7579 1 10 . 1 1 152 152 SER CB C 152 64.188 64.188 63.275 0.913 18726 7580 1 10 . 1 1 153 153 GLN N N 153 122.081 122.081 114.594 7.487 18726 7581 1 10 . 1 1 153 153 GLN HA H 153 4.325 4.325 4.412 -0.087 18726 7582 1 10 . 1 1 153 153 GLN CA C 153 56.104 56.104 55.381 0.723 18726 7583 1 10 . 1 1 153 153 GLN CB C 153 29.322 29.322 30.323 -1.001 18726 7584 1 10 . 1 1 153 153 GLN H H 153 8.404 8.404 7.557 0.847 18726 7585 1 10 . 1 1 154 154 THR HA H 154 4.345 4.345 4.174 0.171 18726 7586 1 10 . 1 1 154 154 THR CA C 154 62.036 62.036 63.093 -1.058 18726 7587 1 10 . 1 1 154 154 THR CB C 154 69.806 69.806 68.881 0.925 18726 7588 1 10 . 1 1 155 155 SER N N 155 118.158 118.158 116.835 1.323 18726 7589 1 10 . 1 1 155 155 SER HA H 155 4.465 4.465 4.180 0.285 18726 7590 1 10 . 1 1 155 155 SER CA C 155 58.447 58.447 59.144 -0.697 18726 7591 1 10 . 1 1 155 155 SER CB C 155 64.069 64.069 63.764 0.305 18726 7592 1 10 . 1 1 155 155 SER H H 155 8.275 8.275 7.963 0.312 18726 7593 1 10 . 1 1 156 156 VAL N N 156 121.614 121.614 120.227 1.387 18726 7594 1 10 . 1 1 156 156 VAL HA H 156 4.094 4.094 3.833 0.261 18726 7595 1 10 . 1 1 156 156 VAL CA C 156 62.553 62.553 64.168 -1.615 18726 7596 1 10 . 1 1 156 156 VAL CB C 156 32.823 32.823 30.997 1.826 18726 7597 1 10 . 1 1 156 156 VAL H H 156 8.103 8.103 8.851 -0.748 18726 7598 1 10 . 1 1 157 157 GLN N N 157 123.938 123.938 125.392 -1.454 18726 7599 1 10 . 1 1 157 157 GLN HA H 157 4.310 4.310 4.611 -0.301 18726 7600 1 10 . 1 1 157 157 GLN CA C 157 55.867 55.867 55.112 0.755 18726 7601 1 10 . 1 1 157 157 GLN CB C 157 29.370 29.370 31.417 -2.047 18726 7602 1 10 . 1 1 157 157 GLN H H 157 8.371 8.371 8.457 -0.086 18726 7603 1 10 . 1 1 158 158 MET N N 158 122.300 122.300 120.899 1.401 18726 7604 1 10 . 1 1 158 158 MET HA H 158 4.470 4.470 5.082 -0.612 18726 7605 1 10 . 1 1 158 158 MET CA C 158 55.720 55.720 55.840 -0.120 18726 7606 1 10 . 1 1 158 158 MET CB C 158 32.959 32.959 34.553 -1.594 18726 7607 1 10 . 1 1 158 158 MET H H 158 8.425 8.425 8.984 -0.559 18726 7608 1 10 . 1 1 159 159 GLY N N 159 110.605 110.605 111.418 -0.813 18726 7609 1 10 . 1 1 159 159 GLY CA C 159 45.689 45.689 44.717 0.972 18726 7610 1 10 . 1 1 159 159 GLY H H 159 8.396 8.396 8.778 -0.382 18726 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 150 3.156 0.467 3.132 18726 2 1 1 "Average Difference" HA 166 0.249 0.071 0.239 18726 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18726 4 1 1 "Average Difference" CA 159 1.083 -0.598 0.907 18726 5 1 1 "Average Difference" CB 151 0.894 -0.288 0.849 18726 6 1 1 "Average Difference" HN 150 0.532 -0.122 0.519 18726 7 1 2 "Average Difference" N 150 3.297 0.290 3.296 18726 8 1 2 "Average Difference" HA 166 0.256 0.057 0.250 18726 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18726 10 1 2 "Average Difference" CA 159 1.103 -0.565 0.951 18726 11 1 2 "Average Difference" CB 151 0.921 -0.340 0.859 18726 12 1 2 "Average Difference" HN 150 0.524 -0.098 0.516 18726 13 1 3 "Average Difference" N 150 3.214 0.264 3.214 18726 14 1 3 "Average Difference" HA 166 0.250 0.072 0.240 18726 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18726 16 1 3 "Average Difference" CA 159 1.066 -0.607 0.879 18726 17 1 3 "Average Difference" CB 151 0.996 -0.285 0.958 18726 18 1 3 "Average Difference" HN 150 0.531 -0.117 0.519 18726 19 1 4 "Average Difference" N 150 3.335 0.383 3.324 18726 20 1 4 "Average Difference" HA 166 0.248 0.064 0.241 18726 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18726 22 1 4 "Average Difference" CA 159 1.099 -0.569 0.943 18726 23 1 4 "Average Difference" CB 151 0.925 -0.335 0.865 18726 24 1 4 "Average Difference" HN 150 0.528 -0.117 0.517 18726 25 1 5 "Average Difference" N 150 3.456 0.328 3.452 18726 26 1 5 "Average Difference" HA 166 0.265 0.079 0.254 18726 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18726 28 1 5 "Average Difference" CA 159 1.152 -0.551 1.015 18726 29 1 5 "Average Difference" CB 151 0.950 -0.277 0.912 18726 30 1 5 "Average Difference" HN 150 0.531 -0.113 0.520 18726 31 1 6 "Average Difference" N 150 3.230 0.344 3.223 18726 32 1 6 "Average Difference" HA 166 0.242 0.079 0.229 18726 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18726 34 1 6 "Average Difference" CA 159 1.106 -0.602 0.931 18726 35 1 6 "Average Difference" CB 151 0.913 -0.286 0.870 18726 36 1 6 "Average Difference" HN 150 0.520 -0.117 0.509 18726 37 1 7 "Average Difference" N 150 3.092 0.342 3.084 18726 38 1 7 "Average Difference" HA 166 0.252 0.067 0.243 18726 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18726 40 1 7 "Average Difference" CA 159 1.069 -0.598 0.888 18726 41 1 7 "Average Difference" CB 151 0.844 -0.236 0.813 18726 42 1 7 "Average Difference" HN 150 0.519 -0.132 0.503 18726 43 1 8 "Average Difference" N 150 3.226 0.324 3.220 18726 44 1 8 "Average Difference" HA 166 0.261 0.082 0.249 18726 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18726 46 1 8 "Average Difference" CA 159 1.110 -0.635 0.913 18726 47 1 8 "Average Difference" CB 151 0.908 -0.269 0.870 18726 48 1 8 "Average Difference" HN 150 0.525 -0.110 0.515 18726 49 1 9 "Average Difference" N 150 3.224 0.314 3.219 18726 50 1 9 "Average Difference" HA 166 0.232 0.072 0.221 18726 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18726 52 1 9 "Average Difference" CA 159 1.073 -0.594 0.897 18726 53 1 9 "Average Difference" CB 151 0.922 -0.196 0.904 18726 54 1 9 "Average Difference" HN 150 0.521 -0.134 0.505 18726 55 1 10 "Average Difference" N 150 3.097 0.367 3.085 18726 56 1 10 "Average Difference" HA 166 0.250 0.063 0.243 18726 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18726 58 1 10 "Average Difference" CA 159 1.091 -0.535 0.954 18726 59 1 10 "Average Difference" CB 151 0.911 -0.263 0.875 18726 60 1 10 "Average Difference" HN 150 0.549 -0.120 0.538 18726 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 18726 _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 1 1 SER HA H 1 4.417 4.417 4.395 0.022 18726 2 1 . 1 1 1 1 SER CA C 1 58.904 58.904 58.342 0.562 18726 3 1 . 1 1 1 1 SER CB C 1 64.069 64.069 63.889 0.180 18726 4 1 . 1 1 2 2 GLY N N 2 110.955 110.955 108.960 1.995 18726 5 1 . 1 1 2 2 GLY CA C 2 45.689 45.689 45.033 0.656 18726 6 1 . 1 1 2 2 GLY H H 2 8.620 8.620 8.344 0.276 18726 7 1 . 1 1 3 3 SER N N 3 116.638 116.638 117.084 -0.446 18726 8 1 . 1 1 3 3 SER HA H 3 4.495 4.495 4.088 0.407 18726 9 1 . 1 1 3 3 SER CA C 3 58.386 58.386 58.213 0.173 18726 10 1 . 1 1 3 3 SER CB C 3 64.877 64.877 63.053 1.824 18726 11 1 . 1 1 3 3 SER H H 3 8.459 8.459 8.143 0.317 18726 12 1 . 1 1 4 4 LEU N N 4 123.760 123.760 126.413 -2.653 18726 13 1 . 1 1 4 4 LEU HA H 4 4.094 4.094 4.142 -0.048 18726 14 1 . 1 1 4 4 LEU CA C 4 58.973 58.973 57.684 1.289 18726 15 1 . 1 1 4 4 LEU CB C 4 41.594 41.594 41.876 -0.282 18726 16 1 . 1 1 4 4 LEU H H 4 8.700 8.700 8.696 0.004 18726 17 1 . 1 1 5 5 GLY N N 5 126.963 126.963 105.070 21.893 18726 18 1 . 1 1 5 5 GLY CA C 5 46.887 46.887 47.133 -0.246 18726 19 1 . 1 1 5 5 GLY H H 5 8.814 8.814 8.368 0.446 18726 20 1 . 1 1 6 6 ASP N N 6 125.167 125.167 123.388 1.779 18726 21 1 . 1 1 6 6 ASP HA H 6 4.369 4.369 4.548 -0.179 18726 22 1 . 1 1 6 6 ASP CA C 6 57.972 57.972 57.199 0.773 18726 23 1 . 1 1 6 6 ASP CB C 6 40.957 40.957 40.732 0.225 18726 24 1 . 1 1 6 6 ASP H H 6 8.119 8.119 7.823 0.296 18726 25 1 . 1 1 7 7 GLN N N 7 119.521 119.521 119.633 -0.112 18726 26 1 . 1 1 7 7 GLN HA H 7 4.160 4.160 4.040 0.120 18726 27 1 . 1 1 7 7 GLN CA C 7 59.404 59.404 59.021 0.383 18726 28 1 . 1 1 7 7 GLN CB C 7 29.199 29.199 29.025 0.174 18726 29 1 . 1 1 7 7 GLN H H 7 8.398 8.398 8.043 0.354 18726 30 1 . 1 1 8 8 LEU N N 8 121.234 121.234 120.021 1.213 18726 31 1 . 1 1 8 8 LEU HA H 8 3.801 3.801 3.896 -0.095 18726 32 1 . 1 1 8 8 LEU CA C 8 57.722 57.722 58.193 -0.471 18726 33 1 . 1 1 8 8 LEU CB C 8 42.403 42.403 41.322 1.081 18726 34 1 . 1 1 8 8 LEU H H 8 9.087 9.087 8.262 0.825 18726 35 1 . 1 1 9 9 THR N N 9 116.094 116.094 112.804 3.290 18726 36 1 . 1 1 9 9 THR HA H 9 3.513 3.513 3.946 -0.433 18726 37 1 . 1 1 9 9 THR CA C 9 68.886 68.886 66.355 2.531 18726 38 1 . 1 1 9 9 THR CB C 9 67.968 67.968 68.406 -0.438 18726 39 1 . 1 1 9 9 THR H H 9 8.188 8.188 8.244 -0.056 18726 40 1 . 1 1 10 10 SER N N 10 115.044 115.044 118.716 -3.672 18726 41 1 . 1 1 10 10 SER HA H 10 4.154 4.154 4.120 0.034 18726 42 1 . 1 1 10 10 SER CA C 10 61.898 61.898 62.692 -0.794 18726 43 1 . 1 1 10 10 SER CB C 10 62.900 62.900 63.062 -0.162 18726 44 1 . 1 1 10 10 SER H H 10 7.801 7.801 8.430 -0.629 18726 45 1 . 1 1 11 11 THR N N 11 119.022 119.022 119.089 -0.067 18726 46 1 . 1 1 11 11 THR HA H 11 3.920 3.920 3.967 -0.047 18726 47 1 . 1 1 11 11 THR CA C 11 67.747 67.747 66.854 0.893 18726 48 1 . 1 1 11 11 THR CB C 11 68.804 68.804 68.617 0.187 18726 49 1 . 1 1 11 11 THR H H 11 8.147 8.147 8.109 0.038 18726 50 1 . 1 1 12 12 LEU N N 12 120.609 120.609 122.329 -1.720 18726 51 1 . 1 1 12 12 LEU HA H 12 3.890 3.890 3.893 -0.003 18726 52 1 . 1 1 12 12 LEU CA C 12 58.265 58.265 58.184 0.081 18726 53 1 . 1 1 12 12 LEU CB C 12 42.598 42.598 41.496 1.102 18726 54 1 . 1 1 12 12 LEU H H 12 8.368 8.368 8.441 -0.073 18726 55 1 . 1 1 13 13 ALA N N 13 119.231 119.231 120.488 -1.256 18726 56 1 . 1 1 13 13 ALA HA H 13 3.816 3.816 3.996 -0.180 18726 57 1 . 1 1 13 13 ALA CA C 13 55.729 55.729 54.952 0.777 18726 58 1 . 1 1 13 13 ALA CB C 13 17.422 17.422 18.080 -0.658 18726 59 1 . 1 1 13 13 ALA H H 13 8.755 8.755 8.504 0.251 18726 60 1 . 1 1 14 14 SER N N 14 116.251 116.251 115.894 0.357 18726 61 1 . 1 1 14 14 SER HA H 14 4.052 4.052 4.088 -0.036 18726 62 1 . 1 1 14 14 SER CA C 14 62.079 62.079 62.329 -0.250 18726 63 1 . 1 1 14 14 SER CB C 14 63.111 63.111 62.975 0.136 18726 64 1 . 1 1 14 14 SER H H 14 8.318 8.318 7.790 0.528 18726 65 1 . 1 1 15 15 ALA N N 15 121.629 121.629 123.566 -1.937 18726 66 1 . 1 1 15 15 ALA HA H 15 4.166 4.166 4.085 0.081 18726 67 1 . 1 1 15 15 ALA CA C 15 54.918 54.918 54.728 0.190 18726 68 1 . 1 1 15 15 ALA CB C 15 18.397 18.397 18.564 -0.167 18726 69 1 . 1 1 15 15 ALA H H 15 7.943 7.943 8.186 -0.243 18726 70 1 . 1 1 16 16 LEU N N 16 112.541 112.541 118.249 -5.708 18726 71 1 . 1 1 16 16 LEU HA H 16 3.885 3.885 4.092 -0.207 18726 72 1 . 1 1 16 16 LEU CA C 16 57.731 57.731 57.030 0.701 18726 73 1 . 1 1 16 16 LEU CB C 16 42.208 42.208 41.614 0.594 18726 74 1 . 1 1 16 16 LEU H H 16 8.083 8.083 8.130 -0.047 18726 75 1 . 1 1 17 17 THR N N 17 116.527 116.527 113.057 3.470 18726 76 1 . 1 1 17 17 THR HA H 17 3.388 3.388 4.153 -0.765 18726 77 1 . 1 1 17 17 THR CA C 17 67.972 67.972 65.297 2.675 18726 78 1 . 1 1 17 17 THR CB C 17 68.860 68.860 69.026 -0.166 18726 79 1 . 1 1 17 17 THR H H 17 8.044 8.044 7.805 0.239 18726 80 1 . 1 1 18 18 LYS N N 18 115.841 115.841 118.154 -2.313 18726 81 1 . 1 1 18 18 LYS HA H 18 4.142 4.142 4.518 -0.376 18726 82 1 . 1 1 18 18 LYS CA C 18 56.859 56.859 55.206 1.653 18726 83 1 . 1 1 18 18 LYS CB C 18 34.271 34.271 32.769 1.502 18726 84 1 . 1 1 18 18 LYS H H 18 6.810 6.810 7.449 -0.639 18726 85 1 . 1 1 19 19 THR N N 19 108.482 108.482 113.405 -4.923 18726 86 1 . 1 1 19 19 THR HA H 19 4.088 4.088 4.875 -0.787 18726 87 1 . 1 1 19 19 THR CA C 19 61.656 61.656 60.175 1.482 18726 88 1 . 1 1 19 19 THR CB C 19 70.168 70.168 71.743 -1.575 18726 89 1 . 1 1 19 19 THR H H 19 7.419 7.419 7.254 0.165 18726 90 1 . 1 1 20 20 ASN N N 20 126.031 126.031 125.181 0.850 18726 91 1 . 1 1 20 20 ASN HA H 20 4.304 4.304 4.351 -0.048 18726 92 1 . 1 1 20 20 ASN CA C 20 57.247 57.247 56.552 0.695 18726 93 1 . 1 1 20 20 ASN CB C 20 39.033 39.033 37.721 1.312 18726 94 1 . 1 1 20 20 ASN H H 20 11.715 11.715 9.039 2.676 18726 95 1 . 1 1 21 21 THR N N 21 119.223 119.223 116.334 2.889 18726 96 1 . 1 1 21 21 THR HA H 21 3.723 3.723 4.070 -0.347 18726 97 1 . 1 1 21 21 THR CA C 21 68.803 68.803 65.961 2.842 18726 98 1 . 1 1 21 21 THR CB C 21 70.168 70.168 68.772 1.396 18726 99 1 . 1 1 21 21 THR H H 21 10.495 10.495 8.938 1.557 18726 100 1 . 1 1 22 22 LEU N N 22 119.484 119.484 119.947 -0.463 18726 101 1 . 1 1 22 22 LEU HA H 22 3.920 3.920 4.459 -0.540 18726 102 1 . 1 1 22 22 LEU CA C 22 57.360 57.360 56.217 1.143 18726 103 1 . 1 1 22 22 LEU CB C 22 40.983 40.983 42.273 -1.290 18726 104 1 . 1 1 22 22 LEU H H 22 7.908 7.908 8.251 -0.343 18726 105 1 . 1 1 23 23 LYS N N 23 121.033 121.033 120.339 0.694 18726 106 1 . 1 1 23 23 LYS HA H 23 3.843 3.843 3.965 -0.122 18726 107 1 . 1 1 23 23 LYS CA C 23 61.078 61.078 60.063 1.015 18726 108 1 . 1 1 23 23 LYS CB C 23 32.210 32.210 32.300 -0.090 18726 109 1 . 1 1 23 23 LYS H H 23 7.968 7.968 8.504 -0.535 18726 110 1 . 1 1 24 24 ALA N N 24 121.376 121.376 121.691 -0.315 18726 111 1 . 1 1 24 24 ALA HA H 24 4.118 4.118 4.113 0.005 18726 112 1 . 1 1 24 24 ALA CA C 24 54.892 54.892 55.425 -0.533 18726 113 1 . 1 1 24 24 ALA CB C 24 18.564 18.564 18.358 0.206 18726 114 1 . 1 1 24 24 ALA H H 24 8.239 8.239 8.323 -0.084 18726 115 1 . 1 1 25 25 VAL N N 25 118.009 118.009 114.375 3.634 18726 116 1 . 1 1 25 25 VAL HA H 25 3.244 3.244 3.603 -0.359 18726 117 1 . 1 1 25 25 VAL CA C 25 67.420 67.420 65.516 1.904 18726 118 1 . 1 1 25 25 VAL CB C 25 31.904 31.904 31.380 0.524 18726 119 1 . 1 1 25 25 VAL H H 25 7.972 7.972 7.531 0.441 18726 120 1 . 1 1 26 26 SER N N 26 113.107 113.107 116.534 -3.427 18726 121 1 . 1 1 26 26 SER HA H 26 3.645 3.645 3.918 -0.273 18726 122 1 . 1 1 26 26 SER CA C 26 62.157 62.157 61.354 0.803 18726 123 1 . 1 1 26 26 SER CB C 26 63.206 63.206 63.218 -0.012 18726 124 1 . 1 1 26 26 SER H H 26 8.092 8.092 8.085 0.007 18726 125 1 . 1 1 27 27 ALA N N 27 122.069 122.069 123.154 -1.085 18726 126 1 . 1 1 27 27 ALA HA H 27 4.178 4.178 4.219 -0.041 18726 127 1 . 1 1 27 27 ALA CA C 27 54.504 54.504 54.356 0.148 18726 128 1 . 1 1 27 27 ALA CB C 27 18.676 18.676 18.323 0.353 18726 129 1 . 1 1 27 27 ALA H H 27 8.224 8.224 7.882 0.342 18726 130 1 . 1 1 28 28 SER N N 28 111.990 111.990 112.978 -0.988 18726 131 1 . 1 1 28 28 SER HA H 28 4.298 4.298 4.280 0.018 18726 132 1 . 1 1 28 28 SER CA C 28 60.051 60.051 59.274 0.777 18726 133 1 . 1 1 28 28 SER CB C 28 64.376 64.376 63.525 0.851 18726 134 1 . 1 1 28 28 SER H H 28 7.441 7.441 7.578 -0.137 18726 135 1 . 1 1 29 29 LYS N N 29 116.653 116.653 119.894 -3.240 18726 136 1 . 1 1 29 29 LYS HA H 29 4.010 4.010 4.084 -0.074 18726 137 1 . 1 1 29 29 LYS CA C 29 56.859 56.859 56.440 0.419 18726 138 1 . 1 1 29 29 LYS CB C 29 30.957 30.957 31.175 -0.218 18726 139 1 . 1 1 29 29 LYS H H 29 7.725 7.725 7.503 0.221 18726 140 1 . 1 1 30 30 PRO HA H 30 4.501 4.501 4.384 0.117 18726 141 1 . 1 1 30 30 PRO CA C 30 62.709 62.709 63.914 -1.205 18726 142 1 . 1 1 30 30 PRO CB C 30 30.906 30.906 32.238 -1.332 18726 143 1 . 1 1 31 31 SER N N 31 115.595 115.595 111.160 4.435 18726 144 1 . 1 1 31 31 SER HA H 31 4.286 4.286 4.493 -0.207 18726 145 1 . 1 1 31 31 SER CA C 31 57.739 57.739 57.461 0.277 18726 146 1 . 1 1 31 31 SER CB C 31 64.515 64.515 64.385 0.130 18726 147 1 . 1 1 31 31 SER H H 31 8.349 8.349 7.814 0.535 18726 148 1 . 1 1 32 32 ALA N N 32 124.266 124.266 125.944 -1.679 18726 149 1 . 1 1 32 32 ALA HA H 32 4.351 4.351 4.088 0.263 18726 150 1 . 1 1 32 32 ALA CA C 32 55.772 55.772 54.465 1.307 18726 151 1 . 1 1 32 32 ALA CB C 32 18.954 18.954 18.751 0.203 18726 152 1 . 1 1 32 32 ALA H H 32 9.039 9.039 8.851 0.188 18726 153 1 . 1 1 33 33 ASN N N 33 111.722 111.722 116.821 -5.099 18726 154 1 . 1 1 33 33 ASN HA H 33 4.274 4.274 4.477 -0.203 18726 155 1 . 1 1 33 33 ASN CA C 33 56.402 56.402 55.910 0.492 18726 156 1 . 1 1 33 33 ASN CB C 33 37.780 37.780 37.787 -0.007 18726 157 1 . 1 1 33 33 ASN H H 33 8.301 8.301 8.621 -0.320 18726 158 1 . 1 1 34 34 VAL N N 34 123.804 123.804 118.019 5.785 18726 159 1 . 1 1 34 34 VAL HA H 34 3.166 3.166 3.687 -0.521 18726 160 1 . 1 1 34 34 VAL CA C 34 66.634 66.634 64.366 2.268 18726 161 1 . 1 1 34 34 VAL CB C 34 31.347 31.347 31.299 0.048 18726 162 1 . 1 1 34 34 VAL H H 34 7.376 7.376 7.343 0.033 18726 163 1 . 1 1 35 35 ALA N N 35 122.314 122.314 123.053 -0.739 18726 164 1 . 1 1 35 35 ALA HA H 35 3.591 3.591 3.837 -0.246 18726 165 1 . 1 1 35 35 ALA CA C 35 56.255 56.255 55.432 0.822 18726 166 1 . 1 1 35 35 ALA CB C 35 18.063 18.063 18.304 -0.241 18726 167 1 . 1 1 35 35 ALA H H 35 8.558 8.558 8.474 0.084 18726 168 1 . 1 1 36 36 VAL N N 36 115.595 115.595 117.879 -2.284 18726 169 1 . 1 1 36 36 VAL HA H 36 3.316 3.316 3.685 -0.369 18726 170 1 . 1 1 36 36 VAL CA C 36 67.756 67.756 66.477 1.279 18726 171 1 . 1 1 36 36 VAL CB C 36 32.099 32.099 31.170 0.928 18726 172 1 . 1 1 36 36 VAL H H 36 8.507 8.507 7.565 0.942 18726 173 1 . 1 1 37 37 ALA N N 37 126.247 126.247 123.573 2.674 18726 174 1 . 1 1 37 37 ALA HA H 37 4.040 4.040 4.223 -0.183 18726 175 1 . 1 1 37 37 ALA CA C 37 56.048 56.048 54.905 1.143 18726 176 1 . 1 1 37 37 ALA CB C 37 18.091 18.091 18.605 -0.514 18726 177 1 . 1 1 37 37 ALA H H 37 7.801 7.801 7.331 0.470 18726 178 1 . 1 1 38 38 ILE N N 38 118.344 118.344 119.232 -0.888 18726 179 1 . 1 1 38 38 ILE HA H 38 3.561 3.561 3.795 -0.234 18726 180 1 . 1 1 38 38 ILE CA C 38 66.263 66.263 65.573 0.690 18726 181 1 . 1 1 38 38 ILE CB C 38 39.395 39.395 38.162 1.233 18726 182 1 . 1 1 38 38 ILE H H 38 8.305 8.305 8.051 0.254 18726 183 1 . 1 1 39 39 VAL N N 39 117.264 117.264 120.361 -3.097 18726 184 1 . 1 1 39 39 VAL HA H 39 3.573 3.573 3.703 -0.130 18726 185 1 . 1 1 39 39 VAL CA C 39 67.074 67.074 66.158 0.916 18726 186 1 . 1 1 39 39 VAL CB C 39 32.127 32.127 31.909 0.218 18726 187 1 . 1 1 39 39 VAL H H 39 8.331 8.331 8.159 0.172 18726 188 1 . 1 1 40 40 THR N N 40 112.303 112.303 114.628 -2.325 18726 189 1 . 1 1 40 40 THR HA H 40 3.831 3.831 3.925 -0.094 18726 190 1 . 1 1 40 40 THR CA C 40 67.152 67.152 66.803 0.349 18726 191 1 . 1 1 40 40 THR CB C 40 68.776 68.776 68.381 0.395 18726 192 1 . 1 1 40 40 THR H H 40 9.029 9.029 8.343 0.685 18726 193 1 . 1 1 41 41 SER N N 41 117.085 117.085 118.770 -1.685 18726 194 1 . 1 1 41 41 SER HA H 41 4.274 4.274 4.113 0.161 18726 195 1 . 1 1 41 41 SER CA C 41 62.182 62.182 62.606 -0.424 18726 196 1 . 1 1 41 41 SER CB C 41 63.067 63.067 62.813 0.254 18726 197 1 . 1 1 41 41 SER H H 41 7.599 7.599 7.807 -0.208 18726 198 1 . 1 1 42 42 GLY N N 42 107.258 107.258 109.386 -2.128 18726 199 1 . 1 1 42 42 GLY CA C 42 47.917 47.917 46.715 1.202 18726 200 1 . 1 1 42 42 GLY H H 42 7.599 7.599 7.609 -0.010 18726 201 1 . 1 1 43 43 LEU N N 43 122.262 122.262 122.995 -0.733 18726 202 1 . 1 1 43 43 LEU HA H 43 3.914 3.914 3.951 -0.037 18726 203 1 . 1 1 43 43 LEU CA C 43 57.782 57.782 57.960 -0.178 18726 204 1 . 1 1 43 43 LEU CB C 43 42.876 42.876 41.738 1.138 18726 205 1 . 1 1 43 43 LEU H H 43 8.595 8.595 8.330 0.265 18726 206 1 . 1 1 44 44 LYS N N 44 118.851 118.851 119.118 -0.267 18726 207 1 . 1 1 44 44 LYS HA H 44 3.855 3.855 4.014 -0.159 18726 208 1 . 1 1 44 44 LYS CA C 44 60.604 60.604 59.766 0.838 18726 209 1 . 1 1 44 44 LYS CB C 44 32.322 32.322 32.142 0.180 18726 210 1 . 1 1 44 44 LYS H H 44 8.589 8.589 8.345 0.244 18726 211 1 . 1 1 45 45 LYS N N 45 118.322 118.322 119.983 -1.661 18726 212 1 . 1 1 45 45 LYS HA H 45 4.160 4.160 4.046 0.114 18726 213 1 . 1 1 45 45 LYS CA C 45 58.326 58.326 58.926 -0.600 18726 214 1 . 1 1 45 45 LYS CB C 45 32.492 32.492 32.205 0.287 18726 215 1 . 1 1 45 45 LYS H H 45 7.189 7.189 7.658 -0.469 18726 216 1 . 1 1 46 46 ALA N N 46 121.301 121.301 122.176 -0.875 18726 217 1 . 1 1 46 46 ALA HA H 46 3.831 3.831 4.087 -0.256 18726 218 1 . 1 1 46 46 ALA CA C 46 55.539 55.539 55.059 0.480 18726 219 1 . 1 1 46 46 ALA CB C 46 20.152 20.152 18.510 1.642 18726 220 1 . 1 1 46 46 ALA H H 46 8.060 8.060 8.151 -0.091 18726 221 1 . 1 1 47 47 LEU N N 47 116.206 116.206 117.231 -1.025 18726 222 1 . 1 1 47 47 LEU HA H 47 3.902 3.902 4.004 -0.102 18726 223 1 . 1 1 47 47 LEU CA C 47 57.929 57.929 57.411 0.518 18726 224 1 . 1 1 47 47 LEU CB C 47 40.426 40.426 41.635 -1.208 18726 225 1 . 1 1 47 47 LEU H H 47 9.045 9.045 8.306 0.739 18726 226 1 . 1 1 48 48 GLY N N 48 106.001 106.001 106.576 -0.575 18726 227 1 . 1 1 48 48 GLY CA C 48 46.859 46.859 46.829 0.030 18726 228 1 . 1 1 48 48 GLY H H 48 7.739 7.739 8.225 -0.486 18726 229 1 . 1 1 49 49 ALA N N 49 125.570 125.570 123.900 1.670 18726 230 1 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.363 -0.185 18726 231 1 . 1 1 49 49 ALA CA C 49 54.573 54.573 53.856 0.717 18726 232 1 . 1 1 49 49 ALA CB C 49 18.369 18.369 18.768 -0.399 18726 233 1 . 1 1 49 49 ALA H H 49 7.763 7.763 7.975 -0.212 18726 234 1 . 1 1 50 50 LEU N N 50 116.176 116.176 116.860 -0.684 18726 235 1 . 1 1 50 50 LEU HA H 50 4.178 4.178 4.395 -0.217 18726 236 1 . 1 1 50 50 LEU CA C 50 54.961 54.961 53.899 1.062 18726 237 1 . 1 1 50 50 LEU CB C 50 44.213 44.213 42.097 2.115 18726 238 1 . 1 1 50 50 LEU H H 50 7.519 7.519 7.322 0.197 18726 239 1 . 1 1 51 51 ARG N N 51 115.327 115.327 115.354 -0.027 18726 240 1 . 1 1 51 51 ARG HA H 51 3.920 3.920 3.916 0.005 18726 241 1 . 1 1 51 51 ARG CA C 51 56.894 56.894 56.882 0.012 18726 242 1 . 1 1 51 51 ARG CB C 51 27.559 27.559 27.094 0.465 18726 243 1 . 1 1 51 51 ARG H H 51 7.782 7.782 7.415 0.368 18726 244 1 . 1 1 52 52 ILE N N 52 118.612 118.612 118.365 0.247 18726 245 1 . 1 1 52 52 ILE HA H 52 4.052 4.052 3.962 0.090 18726 246 1 . 1 1 52 52 ILE CA C 52 59.465 59.465 60.223 -0.758 18726 247 1 . 1 1 52 52 ILE CB C 52 36.778 36.778 37.526 -0.748 18726 248 1 . 1 1 52 52 ILE H H 52 7.381 7.381 7.969 -0.588 18726 249 1 . 1 1 53 53 ASN N N 53 124.728 124.728 124.022 0.706 18726 250 1 . 1 1 53 53 ASN HA H 53 4.435 4.435 4.512 -0.077 18726 251 1 . 1 1 53 53 ASN CA C 53 54.219 54.219 53.769 0.450 18726 252 1 . 1 1 53 53 ASN CB C 53 39.897 39.897 39.967 -0.070 18726 253 1 . 1 1 53 53 ASN H H 53 8.503 8.503 8.519 -0.016 18726 254 1 . 1 1 54 54 ALA HA H 54 4.064 4.064 4.098 -0.034 18726 255 1 . 1 1 54 54 ALA CA C 54 55.772 55.772 54.785 0.988 18726 256 1 . 1 1 54 54 ALA CB C 54 18.926 18.926 19.008 -0.082 18726 257 1 . 1 1 55 55 GLY N N 55 108.675 108.675 107.095 1.580 18726 258 1 . 1 1 55 55 GLY CA C 55 47.165 47.165 47.068 0.097 18726 259 1 . 1 1 55 55 GLY H H 55 8.479 8.479 8.795 -0.316 18726 260 1 . 1 1 56 56 VAL N N 56 124.251 124.251 120.925 3.326 18726 261 1 . 1 1 56 56 VAL HA H 56 3.687 3.687 3.870 -0.183 18726 262 1 . 1 1 56 56 VAL CA C 56 66.160 66.160 64.121 2.039 18726 263 1 . 1 1 56 56 VAL CB C 56 31.598 31.598 31.688 -0.090 18726 264 1 . 1 1 56 56 VAL H H 56 8.035 8.035 7.633 0.402 18726 265 1 . 1 1 57 57 SER N N 57 115.290 115.290 114.946 0.344 18726 266 1 . 1 1 57 57 SER HA H 57 3.992 3.992 4.168 -0.175 18726 267 1 . 1 1 57 57 SER CA C 57 62.881 62.881 61.454 1.427 18726 268 1 . 1 1 57 57 SER CB C 57 62.733 62.733 62.581 0.152 18726 269 1 . 1 1 57 57 SER H H 57 8.551 8.551 8.504 0.047 18726 270 1 . 1 1 58 58 SER N N 58 117.711 117.711 117.906 -0.195 18726 271 1 . 1 1 58 58 SER HA H 58 4.238 4.238 4.309 -0.071 18726 272 1 . 1 1 58 58 SER CA C 58 61.656 61.656 61.144 0.512 18726 273 1 . 1 1 58 58 SER CB C 58 62.800 62.800 63.227 -0.427 18726 274 1 . 1 1 58 58 SER H H 58 8.176 8.176 7.833 0.343 18726 275 1 . 1 1 59 59 GLN N N 59 122.746 122.746 121.442 1.304 18726 276 1 . 1 1 59 59 GLN HA H 59 4.046 4.046 4.119 -0.073 18726 277 1 . 1 1 59 59 GLN CA C 59 59.249 59.249 58.293 0.956 18726 278 1 . 1 1 59 59 GLN CB C 59 28.980 28.980 28.443 0.537 18726 279 1 . 1 1 59 59 GLN H H 59 7.737 7.737 7.602 0.135 18726 280 1 . 1 1 60 60 LEU N N 60 121.748 121.748 121.782 -0.034 18726 281 1 . 1 1 60 60 LEU HA H 60 3.980 3.980 4.112 -0.132 18726 282 1 . 1 1 60 60 LEU CA C 60 60.483 60.483 58.347 2.136 18726 283 1 . 1 1 60 60 LEU CB C 60 43.378 43.378 42.226 1.152 18726 284 1 . 1 1 60 60 LEU H H 60 8.804 8.804 8.257 0.547 18726 285 1 . 1 1 61 61 THR N N 61 114.366 114.366 113.513 0.853 18726 286 1 . 1 1 61 61 THR HA H 61 3.675 3.675 4.008 -0.333 18726 287 1 . 1 1 61 61 THR CA C 61 67.713 67.713 66.542 1.171 18726 288 1 . 1 1 61 61 THR CB C 61 67.968 67.968 68.383 -0.415 18726 289 1 . 1 1 61 61 THR H H 61 8.654 8.654 7.681 0.973 18726 290 1 . 1 1 62 62 SER N N 62 119.141 119.141 119.542 -0.401 18726 291 1 . 1 1 62 62 SER HA H 62 4.232 4.232 4.251 -0.018 18726 292 1 . 1 1 62 62 SER CA C 62 62.217 62.217 62.140 0.076 18726 293 1 . 1 1 62 62 SER CB C 62 62.900 62.900 62.996 -0.096 18726 294 1 . 1 1 62 62 SER H H 62 8.161 8.161 7.608 0.553 18726 295 1 . 1 1 63 63 ALA N N 63 124.393 124.393 124.418 -0.025 18726 296 1 . 1 1 63 63 ALA HA H 63 4.178 4.178 4.131 0.047 18726 297 1 . 1 1 63 63 ALA CA C 63 55.418 55.418 54.992 0.426 18726 298 1 . 1 1 63 63 ALA CB C 63 19.066 19.066 18.307 0.758 18726 299 1 . 1 1 63 63 ALA H H 63 7.921 7.921 8.058 -0.137 18726 300 1 . 1 1 64 64 VAL N N 64 118.888 118.888 119.045 -0.157 18726 301 1 . 1 1 64 64 VAL HA H 64 3.765 3.765 3.727 0.038 18726 302 1 . 1 1 64 64 VAL CA C 64 66.419 66.419 65.899 0.520 18726 303 1 . 1 1 64 64 VAL CB C 64 31.966 31.966 30.976 0.990 18726 304 1 . 1 1 64 64 VAL H H 64 8.548 8.548 8.350 0.198 18726 305 1 . 1 1 65 65 SER N N 65 115.469 115.469 114.681 0.788 18726 306 1 . 1 1 65 65 SER HA H 65 3.920 3.920 4.098 -0.178 18726 307 1 . 1 1 65 65 SER CA C 65 63.235 63.235 62.036 1.199 18726 308 1 . 1 1 65 65 SER CB C 65 63.291 63.291 62.799 0.492 18726 309 1 . 1 1 65 65 SER H H 65 8.360 8.360 8.239 0.121 18726 310 1 . 1 1 66 66 GLN N N 66 118.918 118.918 122.934 -4.016 18726 311 1 . 1 1 66 66 GLN HA H 66 3.938 3.938 4.084 -0.146 18726 312 1 . 1 1 66 66 GLN CA C 66 58.844 58.844 58.611 0.233 18726 313 1 . 1 1 66 66 GLN CB C 66 28.810 28.810 28.439 0.371 18726 314 1 . 1 1 66 66 GLN H H 66 7.676 7.676 7.538 0.138 18726 315 1 . 1 1 67 67 ALA N N 67 120.720 120.720 120.761 -0.041 18726 316 1 . 1 1 67 67 ALA HA H 67 4.154 4.154 4.097 0.057 18726 317 1 . 1 1 67 67 ALA CA C 67 55.323 55.323 54.887 0.436 18726 318 1 . 1 1 67 67 ALA CB C 67 19.483 19.483 18.728 0.755 18726 319 1 . 1 1 67 67 ALA H H 67 7.390 7.390 7.855 -0.465 18726 320 1 . 1 1 68 68 VAL N N 68 119.335 119.335 116.911 2.424 18726 321 1 . 1 1 68 68 VAL HA H 68 3.447 3.447 3.677 -0.230 18726 322 1 . 1 1 68 68 VAL CA C 68 66.591 66.591 65.340 1.251 18726 323 1 . 1 1 68 68 VAL CB C 68 31.514 31.514 31.361 0.153 18726 324 1 . 1 1 68 68 VAL H H 68 9.069 9.069 7.995 1.074 18726 325 1 . 1 1 69 69 ALA N N 69 122.568 122.568 119.409 3.159 18726 326 1 . 1 1 69 69 ALA HA H 69 3.962 3.962 4.302 -0.340 18726 327 1 . 1 1 69 69 ALA CA C 69 54.512 54.512 53.543 0.969 18726 328 1 . 1 1 69 69 ALA CB C 69 18.035 18.035 18.511 -0.476 18726 329 1 . 1 1 69 69 ALA H H 69 8.370 8.370 7.729 0.641 18726 330 1 . 1 1 70 70 ASN N N 70 113.242 113.242 116.430 -3.188 18726 331 1 . 1 1 70 70 ASN HA H 70 4.651 4.651 4.725 -0.074 18726 332 1 . 1 1 70 70 ASN CA C 70 52.994 52.994 54.077 -1.083 18726 333 1 . 1 1 70 70 ASN CB C 70 39.897 39.897 39.723 0.174 18726 334 1 . 1 1 70 70 ASN H H 70 6.987 6.987 7.561 -0.574 18726 335 1 . 1 1 71 71 VAL N N 71 122.456 122.456 119.399 3.057 18726 336 1 . 1 1 71 71 VAL HA H 71 3.591 3.591 3.760 -0.169 18726 337 1 . 1 1 71 71 VAL CA C 71 63.037 63.037 63.024 0.013 18726 338 1 . 1 1 71 71 VAL CB C 71 31.598 31.598 32.013 -0.415 18726 339 1 . 1 1 71 71 VAL H H 71 7.284 7.284 7.472 -0.188 18726 340 1 . 1 1 72 72 ARG N N 72 108.757 108.757 116.434 -7.678 18726 341 1 . 1 1 72 72 ARG HA H 72 4.387 4.387 4.046 0.341 18726 342 1 . 1 1 72 72 ARG CA C 72 54.487 54.487 56.195 -1.708 18726 343 1 . 1 1 72 72 ARG CB C 72 29.840 29.840 27.935 1.905 18726 344 1 . 1 1 72 72 ARG H H 72 8.700 8.700 7.729 0.971 18726 345 1 . 1 1 73 73 PRO HA H 73 4.399 4.399 4.655 -0.256 18726 346 1 . 1 1 73 73 PRO CA C 73 64.339 64.339 63.266 1.073 18726 347 1 . 1 1 73 73 PRO CB C 73 32.043 32.043 32.128 -0.085 18726 348 1 . 1 1 74 74 GLY N N 74 111.647 111.647 109.045 2.602 18726 349 1 . 1 1 74 74 GLY CA C 74 45.188 45.188 45.093 0.095 18726 350 1 . 1 1 74 74 GLY H H 74 9.447 9.447 8.880 0.567 18726 351 1 . 1 1 75 75 SER N N 75 116.057 116.057 116.077 -0.020 18726 352 1 . 1 1 75 75 SER HA H 75 4.477 4.477 4.708 -0.231 18726 353 1 . 1 1 75 75 SER CA C 75 60.509 60.509 56.601 3.908 18726 354 1 . 1 1 75 75 SER CB C 75 64.710 64.710 65.446 -0.736 18726 355 1 . 1 1 75 75 SER H H 75 7.600 7.600 8.003 -0.403 18726 356 1 . 1 1 76 76 SER N N 76 118.456 118.456 118.873 -0.418 18726 357 1 . 1 1 76 76 SER HA H 76 4.693 4.693 4.514 0.179 18726 358 1 . 1 1 76 76 SER CA C 76 57.247 57.247 57.495 -0.248 18726 359 1 . 1 1 76 76 SER CB C 76 63.011 63.011 63.645 -0.634 18726 360 1 . 1 1 76 76 SER H H 76 8.726 8.726 8.852 -0.126 18726 361 1 . 1 1 77 77 PRO HA H 77 4.262 4.262 4.425 -0.163 18726 362 1 . 1 1 77 77 PRO CA C 77 66.565 66.565 64.580 1.985 18726 363 1 . 1 1 77 77 PRO CB C 77 32.350 32.350 31.922 0.428 18726 364 1 . 1 1 78 78 ALA N N 78 117.189 117.189 121.440 -4.251 18726 365 1 . 1 1 78 78 ALA HA H 78 4.513 4.513 4.274 0.239 18726 366 1 . 1 1 78 78 ALA CA C 78 54.590 54.590 54.547 0.043 18726 367 1 . 1 1 78 78 ALA CB C 78 18.982 18.982 18.590 0.392 18726 368 1 . 1 1 78 78 ALA H H 78 8.085 8.085 8.321 -0.236 18726 369 1 . 1 1 79 79 VAL N N 79 119.946 119.946 116.202 3.744 18726 370 1 . 1 1 79 79 VAL HA H 79 3.609 3.609 3.756 -0.146 18726 371 1 . 1 1 79 79 VAL CA C 79 66.307 66.307 65.451 0.856 18726 372 1 . 1 1 79 79 VAL CB C 79 31.820 31.820 30.349 1.471 18726 373 1 . 1 1 79 79 VAL H H 79 7.741 7.741 7.523 0.218 18726 374 1 . 1 1 80 80 TYR N N 80 117.577 117.577 120.344 -2.767 18726 375 1 . 1 1 80 80 TYR HA H 80 3.867 3.867 4.059 -0.192 18726 376 1 . 1 1 80 80 TYR CA C 80 63.675 63.675 62.434 1.241 18726 377 1 . 1 1 80 80 TYR CB C 80 39.924 39.924 37.821 2.103 18726 378 1 . 1 1 80 80 TYR H H 80 7.207 7.207 7.517 -0.310 18726 379 1 . 1 1 81 81 ALA N N 81 118.761 118.761 119.383 -0.622 18726 380 1 . 1 1 81 81 ALA HA H 81 3.711 3.711 3.941 -0.230 18726 381 1 . 1 1 81 81 ALA CA C 81 55.781 55.781 55.000 0.781 18726 382 1 . 1 1 81 81 ALA CB C 81 20.792 20.792 18.318 2.474 18726 383 1 . 1 1 81 81 ALA H H 81 8.962 8.962 8.004 0.958 18726 384 1 . 1 1 82 82 LYS N N 82 117.778 117.778 119.526 -1.748 18726 385 1 . 1 1 82 82 LYS HA H 82 3.807 3.807 4.086 -0.279 18726 386 1 . 1 1 82 82 LYS CA C 82 60.155 60.155 58.778 1.377 18726 387 1 . 1 1 82 82 LYS CB C 82 32.322 32.322 32.436 -0.114 18726 388 1 . 1 1 82 82 LYS H H 82 7.727 7.727 7.672 0.055 18726 389 1 . 1 1 83 83 ALA N N 83 120.810 120.810 120.431 0.379 18726 390 1 . 1 1 83 83 ALA HA H 83 4.022 4.022 4.201 -0.179 18726 391 1 . 1 1 83 83 ALA CA C 83 54.366 54.366 54.649 -0.283 18726 392 1 . 1 1 83 83 ALA CB C 83 18.453 18.453 18.303 0.150 18726 393 1 . 1 1 83 83 ALA H H 83 7.182 7.182 8.125 -0.943 18726 394 1 . 1 1 84 84 ILE N N 84 109.964 109.964 114.942 -4.978 18726 395 1 . 1 1 84 84 ILE HA H 84 3.861 3.861 4.002 -0.141 18726 396 1 . 1 1 84 84 ILE CA C 84 63.373 63.373 62.482 0.891 18726 397 1 . 1 1 84 84 ILE CB C 84 40.342 40.342 38.663 1.679 18726 398 1 . 1 1 84 84 ILE H H 84 7.109 7.109 7.131 -0.022 18726 399 1 . 1 1 85 85 ALA N N 85 120.162 120.162 122.064 -1.902 18726 400 1 . 1 1 85 85 ALA HA H 85 3.777 3.777 4.359 -0.582 18726 401 1 . 1 1 85 85 ALA CA C 85 55.789 55.789 54.290 1.498 18726 402 1 . 1 1 85 85 ALA CB C 85 20.931 20.931 18.993 1.938 18726 403 1 . 1 1 85 85 ALA H H 85 8.770 8.770 7.621 1.149 18726 404 1 . 1 1 86 86 ALA N N 86 116.824 116.824 123.155 -6.331 18726 405 1 . 1 1 86 86 ALA HA H 86 4.310 4.310 4.086 0.225 18726 406 1 . 1 1 86 86 ALA CA C 86 56.756 56.756 56.732 0.024 18726 407 1 . 1 1 86 86 ALA CB C 86 15.417 15.417 16.359 -0.942 18726 408 1 . 1 1 86 86 ALA H H 86 8.513 8.513 8.584 -0.071 18726 409 1 . 1 1 87 87 PRO HA H 87 4.405 4.405 4.321 0.084 18726 410 1 . 1 1 87 87 PRO CA C 87 65.185 65.185 65.283 -0.098 18726 411 1 . 1 1 87 87 PRO CB C 87 30.734 30.734 31.181 -0.447 18726 412 1 . 1 1 88 88 SER N N 88 108.653 108.653 114.329 -5.676 18726 413 1 . 1 1 88 88 SER HA H 88 3.861 3.861 4.275 -0.414 18726 414 1 . 1 1 88 88 SER CA C 88 62.735 62.735 61.704 1.031 18726 415 1 . 1 1 88 88 SER CB C 88 63.039 63.039 63.117 -0.078 18726 416 1 . 1 1 88 88 SER H H 88 6.474 6.474 7.720 -1.246 18726 417 1 . 1 1 89 89 VAL N N 89 120.951 120.951 121.314 -0.363 18726 418 1 . 1 1 89 89 VAL HA H 89 3.226 3.226 3.703 -0.477 18726 419 1 . 1 1 89 89 VAL CA C 89 67.644 67.644 66.173 1.471 18726 420 1 . 1 1 89 89 VAL CB C 89 30.929 30.929 31.276 -0.347 18726 421 1 . 1 1 89 89 VAL H H 89 8.220 8.220 8.495 -0.275 18726 422 1 . 1 1 90 90 GLN N N 90 117.435 117.435 119.258 -1.823 18726 423 1 . 1 1 90 90 GLN HA H 90 3.873 3.873 4.032 -0.159 18726 424 1 . 1 1 90 90 GLN CA C 90 59.818 59.818 58.990 0.828 18726 425 1 . 1 1 90 90 GLN CB C 90 28.256 28.256 28.325 -0.069 18726 426 1 . 1 1 90 90 GLN H H 90 7.922 7.922 8.044 -0.122 18726 427 1 . 1 1 91 91 ILE N N 91 117.875 117.875 120.204 -2.329 18726 428 1 . 1 1 91 91 ILE HA H 91 4.052 4.052 3.876 0.176 18726 429 1 . 1 1 91 91 ILE CA C 91 63.201 63.201 64.053 -0.852 18726 430 1 . 1 1 91 91 ILE CB C 91 37.613 37.613 38.235 -0.621 18726 431 1 . 1 1 91 91 ILE H H 91 7.532 7.532 7.388 0.144 18726 432 1 . 1 1 92 92 LEU N N 92 123.357 123.357 120.686 2.671 18726 433 1 . 1 1 92 92 LEU HA H 92 3.807 3.807 4.000 -0.193 18726 434 1 . 1 1 92 92 LEU CA C 92 59.171 59.171 58.300 0.871 18726 435 1 . 1 1 92 92 LEU CB C 92 41.205 41.205 41.912 -0.707 18726 436 1 . 1 1 92 92 LEU H H 92 8.481 8.481 8.191 0.290 18726 437 1 . 1 1 93 93 VAL N N 93 118.180 118.180 118.403 -0.223 18726 438 1 . 1 1 93 93 VAL HA H 93 3.873 3.873 3.852 0.021 18726 439 1 . 1 1 93 93 VAL CA C 93 66.496 66.496 64.673 1.823 18726 440 1 . 1 1 93 93 VAL CB C 93 31.765 31.765 31.838 -0.073 18726 441 1 . 1 1 93 93 VAL H H 93 8.777 8.777 8.417 0.360 18726 442 1 . 1 1 94 94 SER N N 94 118.471 118.471 114.862 3.609 18726 443 1 . 1 1 94 94 SER HA H 94 4.226 4.226 4.335 -0.109 18726 444 1 . 1 1 94 94 SER CA C 94 62.390 62.390 60.800 1.590 18726 445 1 . 1 1 94 94 SER CB C 94 62.733 62.733 63.291 -0.558 18726 446 1 . 1 1 94 94 SER H H 94 8.660 8.660 7.691 0.969 18726 447 1 . 1 1 95 95 SER N N 95 112.698 112.698 114.555 -1.857 18726 448 1 . 1 1 95 95 SER HA H 95 4.441 4.441 4.585 -0.144 18726 449 1 . 1 1 95 95 SER CA C 95 59.301 59.301 58.249 1.052 18726 450 1 . 1 1 95 95 SER CB C 95 65.935 65.935 63.891 2.043 18726 451 1 . 1 1 95 95 SER H H 95 8.048 8.048 7.718 0.330 18726 452 1 . 1 1 96 96 GLY N N 96 110.277 110.277 109.794 0.483 18726 453 1 . 1 1 96 96 GLY CA C 96 45.968 45.968 45.960 0.008 18726 454 1 . 1 1 96 96 GLY H H 96 7.955 7.955 7.402 0.553 18726 455 1 . 1 1 97 97 SER N N 97 115.595 115.595 115.437 0.158 18726 456 1 . 1 1 97 97 SER HA H 97 4.292 4.292 4.199 0.093 18726 457 1 . 1 1 97 97 SER CA C 97 61.535 61.535 60.592 0.943 18726 458 1 . 1 1 97 97 SER CB C 97 64.042 64.042 63.727 0.315 18726 459 1 . 1 1 97 97 SER H H 97 8.216 8.216 8.003 0.213 18726 460 1 . 1 1 98 98 VAL N N 98 116.579 116.579 115.913 0.666 18726 461 1 . 1 1 98 98 VAL HA H 98 4.884 4.884 4.379 0.505 18726 462 1 . 1 1 98 98 VAL CA C 98 59.111 59.111 60.430 -1.319 18726 463 1 . 1 1 98 98 VAL CB C 98 35.051 35.051 34.074 0.978 18726 464 1 . 1 1 98 98 VAL H H 98 7.288 7.288 7.405 -0.117 18726 465 1 . 1 1 99 99 ASN N N 99 123.722 123.722 123.370 0.352 18726 466 1 . 1 1 99 99 ASN HA H 99 4.627 4.627 4.860 -0.233 18726 467 1 . 1 1 99 99 ASN CA C 99 51.838 51.838 51.774 0.064 18726 468 1 . 1 1 99 99 ASN CB C 99 40.676 40.676 40.731 -0.055 18726 469 1 . 1 1 99 99 ASN H H 99 9.179 9.179 8.513 0.666 18726 470 1 . 1 1 100 100 ASN N N 100 115.148 115.148 118.575 -3.427 18726 471 1 . 1 1 100 100 ASN HA H 100 4.292 4.292 4.710 -0.418 18726 472 1 . 1 1 100 100 ASN CA C 100 56.894 56.894 53.764 3.130 18726 473 1 . 1 1 100 100 ASN CB C 100 38.281 38.281 36.953 1.328 18726 474 1 . 1 1 100 100 ASN H H 100 8.667 8.667 8.708 -0.041 18726 475 1 . 1 1 101 101 ASN N N 101 115.201 115.201 117.138 -1.937 18726 476 1 . 1 1 101 101 ASN HA H 101 4.711 4.711 4.685 0.026 18726 477 1 . 1 1 101 101 ASN CA C 101 55.306 55.306 54.993 0.313 18726 478 1 . 1 1 101 101 ASN CB C 101 39.256 39.256 39.599 -0.343 18726 479 1 . 1 1 101 101 ASN H H 101 8.471 8.471 8.303 0.168 18726 480 1 . 1 1 102 102 ASN N N 102 116.780 116.780 118.337 -1.557 18726 481 1 . 1 1 102 102 ASN HA H 102 5.124 5.124 4.891 0.233 18726 482 1 . 1 1 102 102 ASN CA C 102 51.950 51.950 53.456 -1.506 18726 483 1 . 1 1 102 102 ASN CB C 102 39.089 39.089 39.918 -0.829 18726 484 1 . 1 1 102 102 ASN H H 102 7.854 7.854 7.971 -0.117 18726 485 1 . 1 1 103 103 ALA N N 103 121.808 121.808 124.005 -2.197 18726 486 1 . 1 1 103 103 ALA HA H 103 3.747 3.747 3.913 -0.166 18726 487 1 . 1 1 103 103 ALA CA C 103 57.058 57.058 55.809 1.248 18726 488 1 . 1 1 103 103 ALA CB C 103 19.511 19.511 18.484 1.027 18726 489 1 . 1 1 103 103 ALA H H 103 7.447 7.447 7.863 -0.416 18726 490 1 . 1 1 104 104 LYS N N 104 114.873 114.873 117.467 -2.594 18726 491 1 . 1 1 104 104 LYS HA H 104 3.992 3.992 4.159 -0.167 18726 492 1 . 1 1 104 104 LYS CA C 104 60.284 60.284 59.244 1.040 18726 493 1 . 1 1 104 104 LYS CB C 104 32.322 32.322 31.715 0.607 18726 494 1 . 1 1 104 104 LYS H H 104 8.344 8.344 8.444 -0.100 18726 495 1 . 1 1 105 105 GLN N N 105 120.720 120.720 119.797 0.922 18726 496 1 . 1 1 105 105 GLN HA H 105 4.094 4.094 4.144 -0.049 18726 497 1 . 1 1 105 105 GLN CA C 105 59.137 59.137 59.589 -0.452 18726 498 1 . 1 1 105 105 GLN CB C 105 28.339 28.339 28.618 -0.279 18726 499 1 . 1 1 105 105 GLN H H 105 7.892 7.892 7.415 0.477 18726 500 1 . 1 1 106 106 VAL N N 106 120.556 120.556 120.389 0.167 18726 501 1 . 1 1 106 106 VAL HA H 106 3.567 3.567 3.743 -0.175 18726 502 1 . 1 1 106 106 VAL CA C 106 66.496 66.496 65.096 1.400 18726 503 1 . 1 1 106 106 VAL CB C 106 31.848 31.848 31.362 0.486 18726 504 1 . 1 1 106 106 VAL H H 106 8.693 8.693 8.731 -0.038 18726 505 1 . 1 1 107 107 ALA N N 107 119.655 119.655 121.658 -2.003 18726 506 1 . 1 1 107 107 ALA HA H 107 3.813 3.813 3.978 -0.165 18726 507 1 . 1 1 107 107 ALA CA C 107 55.884 55.884 55.435 0.449 18726 508 1 . 1 1 107 107 ALA CB C 107 18.174 18.174 18.110 0.064 18726 509 1 . 1 1 107 107 ALA H H 107 8.750 8.750 8.112 0.638 18726 510 1 . 1 1 108 108 SER N N 108 115.469 115.469 114.178 1.291 18726 511 1 . 1 1 108 108 SER HA H 108 4.304 4.304 4.235 0.070 18726 512 1 . 1 1 108 108 SER CA C 108 61.950 61.950 61.613 0.337 18726 513 1 . 1 1 108 108 SER CB C 108 63.290 63.290 63.208 0.082 18726 514 1 . 1 1 108 108 SER H H 108 8.162 8.162 7.785 0.377 18726 515 1 . 1 1 109 109 THR N N 109 119.201 119.201 120.121 -0.920 18726 516 1 . 1 1 109 109 THR HA H 109 4.052 4.052 4.140 -0.088 18726 517 1 . 1 1 109 109 THR CA C 109 67.195 67.195 66.402 0.793 18726 518 1 . 1 1 109 109 THR CB C 109 68.832 68.832 68.887 -0.055 18726 519 1 . 1 1 109 109 THR H H 109 8.218 8.218 8.091 0.127 18726 520 1 . 1 1 110 110 LEU N N 110 122.329 122.329 123.299 -0.970 18726 521 1 . 1 1 110 110 LEU HA H 110 3.920 3.920 3.925 -0.005 18726 522 1 . 1 1 110 110 LEU CA C 110 59.025 59.025 59.079 -0.054 18726 523 1 . 1 1 110 110 LEU CB C 110 43.211 43.211 41.916 1.294 18726 524 1 . 1 1 110 110 LEU H H 110 9.083 9.083 8.516 0.567 18726 525 1 . 1 1 111 111 SER N N 111 113.018 113.018 114.086 -1.068 18726 526 1 . 1 1 111 111 SER HA H 111 3.747 3.747 4.078 -0.331 18726 527 1 . 1 1 111 111 SER CA C 111 63.848 63.848 62.438 1.410 18726 528 1 . 1 1 111 111 SER CB C 111 63.958 63.958 62.610 1.348 18726 529 1 . 1 1 111 111 SER H H 111 8.052 8.052 7.860 0.192 18726 530 1 . 1 1 112 112 GLU N N 112 122.329 122.329 123.174 -0.845 18726 531 1 . 1 1 112 112 GLU HA H 112 3.741 3.741 3.929 -0.188 18726 532 1 . 1 1 112 112 GLU CA C 112 60.431 60.431 59.667 0.764 18726 533 1 . 1 1 112 112 GLU CB C 112 29.199 29.199 29.512 -0.313 18726 534 1 . 1 1 112 112 GLU H H 112 8.358 8.358 8.008 0.350 18726 535 1 . 1 1 113 113 ASN N N 113 113.629 113.629 118.119 -4.490 18726 536 1 . 1 1 113 113 ASN HA H 113 4.375 4.375 4.548 -0.173 18726 537 1 . 1 1 113 113 ASN CA C 113 57.523 57.523 56.463 1.060 18726 538 1 . 1 1 113 113 ASN CB C 113 40.788 40.788 39.093 1.695 18726 539 1 . 1 1 113 113 ASN H H 113 7.265 7.265 8.408 -1.143 18726 540 1 . 1 1 114 114 LEU N N 114 118.054 118.054 123.021 -4.967 18726 541 1 . 1 1 114 114 LEU HA H 114 3.944 3.944 4.110 -0.166 18726 542 1 . 1 1 114 114 LEU CA C 114 58.619 58.619 58.408 0.211 18726 543 1 . 1 1 114 114 LEU CB C 114 43.489 43.489 42.148 1.341 18726 544 1 . 1 1 114 114 LEU H H 114 8.417 8.417 8.599 -0.182 18726 545 1 . 1 1 115 115 VAL N N 115 115.990 115.990 118.645 -2.655 18726 546 1 . 1 1 115 115 VAL HA H 115 3.561 3.561 3.595 -0.034 18726 547 1 . 1 1 115 115 VAL CA C 115 67.730 67.730 66.631 1.099 18726 548 1 . 1 1 115 115 VAL CB C 115 31.820 31.820 31.464 0.356 18726 549 1 . 1 1 115 115 VAL H H 115 8.051 8.051 8.567 -0.516 18726 550 1 . 1 1 116 116 ARG N N 116 116.541 116.541 120.297 -3.756 18726 551 1 . 1 1 116 116 ARG HA H 116 3.771 3.771 3.927 -0.156 18726 552 1 . 1 1 116 116 ARG CA C 116 60.552 60.552 59.912 0.640 18726 553 1 . 1 1 116 116 ARG CB C 116 30.790 30.790 30.028 0.762 18726 554 1 . 1 1 116 116 ARG H H 116 7.799 7.799 7.667 0.132 18726 555 1 . 1 1 117 117 GLU N N 117 116.013 116.013 119.436 -3.423 18726 556 1 . 1 1 117 117 GLU HA H 117 4.627 4.627 4.163 0.464 18726 557 1 . 1 1 117 117 GLU CA C 117 57.593 57.593 58.905 -1.312 18726 558 1 . 1 1 117 117 GLU CB C 117 28.952 28.952 29.196 -0.244 18726 559 1 . 1 1 117 117 GLU H H 117 8.089 8.089 8.096 -0.007 18726 560 1 . 1 1 118 118 MET N N 118 120.497 120.497 119.869 0.628 18726 561 1 . 1 1 118 118 MET HA H 118 4.046 4.046 4.303 -0.257 18726 562 1 . 1 1 118 118 MET CA C 118 60.845 60.845 59.580 1.265 18726 563 1 . 1 1 118 118 MET CB C 118 34.132 34.132 32.604 1.528 18726 564 1 . 1 1 118 118 MET H H 118 8.751 8.751 8.625 0.126 18726 565 1 . 1 1 119 119 ALA N N 119 119.171 119.171 121.099 -1.928 18726 566 1 . 1 1 119 119 ALA HA H 119 3.819 3.819 4.013 -0.194 18726 567 1 . 1 1 119 119 ALA CA C 119 55.979 55.979 55.294 0.685 18726 568 1 . 1 1 119 119 ALA CB C 119 18.954 18.954 18.298 0.656 18726 569 1 . 1 1 119 119 ALA H H 119 7.903 7.903 8.490 -0.586 18726 570 1 . 1 1 120 120 ASN N N 120 115.223 115.223 116.245 -1.022 18726 571 1 . 1 1 120 120 ASN HA H 120 4.465 4.465 4.505 -0.041 18726 572 1 . 1 1 120 120 ASN CA C 120 56.480 56.480 55.974 0.506 18726 573 1 . 1 1 120 120 ASN CB C 120 38.922 38.922 38.449 0.473 18726 574 1 . 1 1 120 120 ASN H H 120 7.687 7.687 7.935 -0.248 18726 575 1 . 1 1 121 121 THR N N 121 117.264 117.264 115.851 1.413 18726 576 1 . 1 1 121 121 THR HA H 121 3.956 3.956 4.231 -0.275 18726 577 1 . 1 1 121 121 THR CA C 121 67.074 67.074 65.902 1.172 18726 578 1 . 1 1 121 121 THR CB C 121 68.247 68.247 69.028 -0.781 18726 579 1 . 1 1 121 121 THR H H 121 8.726 8.726 7.987 0.738 18726 580 1 . 1 1 122 122 ALA N N 122 123.581 123.581 125.241 -1.660 18726 581 1 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.282 -0.326 18726 582 1 . 1 1 122 122 ALA CA C 122 55.824 55.824 55.045 0.779 18726 583 1 . 1 1 122 122 ALA CB C 122 16.782 16.782 18.329 -1.547 18726 584 1 . 1 1 122 122 ALA H H 122 8.955 8.955 8.570 0.385 18726 585 1 . 1 1 123 123 ARG N N 123 116.698 116.698 117.251 -0.553 18726 586 1 . 1 1 123 123 ARG HA H 123 4.190 4.190 4.106 0.084 18726 587 1 . 1 1 123 123 ARG CA C 123 59.732 59.732 59.044 0.688 18726 588 1 . 1 1 123 123 ARG CB C 123 30.233 30.233 29.751 0.482 18726 589 1 . 1 1 123 123 ARG H H 123 7.439 7.439 8.091 -0.652 18726 590 1 . 1 1 124 124 ARG N N 124 119.231 119.231 118.354 0.877 18726 591 1 . 1 1 124 124 ARG HA H 124 4.082 4.082 4.092 -0.010 18726 592 1 . 1 1 124 124 ARG CA C 124 58.240 58.240 57.780 0.460 18726 593 1 . 1 1 124 124 ARG CB C 124 29.314 29.314 29.860 -0.546 18726 594 1 . 1 1 124 124 ARG H H 124 7.669 7.669 7.601 0.068 18726 595 1 . 1 1 125 125 TYR N N 125 118.650 118.650 117.629 1.021 18726 596 1 . 1 1 125 125 TYR HA H 125 4.567 4.567 4.668 -0.101 18726 597 1 . 1 1 125 125 TYR CA C 125 57.748 57.748 56.962 0.786 18726 598 1 . 1 1 125 125 TYR CB C 125 38.059 38.059 37.438 0.621 18726 599 1 . 1 1 125 125 TYR H H 125 7.606 7.606 7.674 -0.068 18726 600 1 . 1 1 126 126 ARG N N 126 110.322 110.322 117.142 -6.820 18726 601 1 . 1 1 126 126 ARG HA H 126 3.789 3.789 4.082 -0.293 18726 602 1 . 1 1 126 126 ARG CA C 126 57.860 57.860 57.288 0.572 18726 603 1 . 1 1 126 126 ARG CB C 126 27.866 27.866 28.567 -0.701 18726 604 1 . 1 1 126 126 ARG H H 126 7.657 7.657 7.738 -0.081 18726 605 1 . 1 1 127 127 VAL N N 127 120.877 120.877 116.931 3.946 18726 606 1 . 1 1 127 127 VAL HA H 127 4.004 4.004 4.210 -0.206 18726 607 1 . 1 1 127 127 VAL CA C 127 62.105 62.105 61.440 0.665 18726 608 1 . 1 1 127 127 VAL CB C 127 31.681 31.681 31.242 0.439 18726 609 1 . 1 1 127 127 VAL H H 127 7.601 7.601 7.920 -0.319 18726 610 1 . 1 1 128 128 ASN N N 128 125.726 125.726 119.329 6.397 18726 611 1 . 1 1 128 128 ASN HA H 128 4.663 4.663 4.439 0.224 18726 612 1 . 1 1 128 128 ASN CA C 128 52.787 52.787 53.854 -1.067 18726 613 1 . 1 1 128 128 ASN CB C 128 39.476 39.476 38.700 0.775 18726 614 1 . 1 1 128 128 ASN H H 128 8.604 8.604 7.726 0.878 18726 615 1 . 1 1 129 129 VAL N N 129 126.963 126.963 122.861 4.102 18726 616 1 . 1 1 129 129 VAL HA H 129 4.286 4.286 4.388 -0.102 18726 617 1 . 1 1 129 129 VAL CA C 129 59.637 59.637 58.992 0.645 18726 618 1 . 1 1 129 129 VAL CB C 129 33.101 33.101 33.344 -0.243 18726 619 1 . 1 1 129 129 VAL H H 129 8.223 8.223 8.241 -0.018 18726 620 1 . 1 1 130 130 PRO HA H 130 4.435 4.435 4.586 -0.151 18726 621 1 . 1 1 130 130 PRO CA C 130 63.045 63.045 62.316 0.729 18726 622 1 . 1 1 130 130 PRO CB C 130 32.795 32.795 32.917 -0.122 18726 623 1 . 1 1 131 131 GLU N N 131 125.786 125.786 123.548 2.238 18726 624 1 . 1 1 131 131 GLU HA H 131 3.944 3.944 3.899 0.045 18726 625 1 . 1 1 131 131 GLU CA C 131 60.431 60.431 59.918 0.513 18726 626 1 . 1 1 131 131 GLU CB C 131 29.147 29.147 29.193 -0.046 18726 627 1 . 1 1 131 131 GLU H H 131 9.135 9.135 9.003 0.132 18726 628 1 . 1 1 132 132 ALA N N 132 119.640 119.640 120.278 -0.638 18726 629 1 . 1 1 132 132 ALA HA H 132 4.183 4.183 4.174 0.009 18726 630 1 . 1 1 132 132 ALA CA C 132 55.341 55.341 54.630 0.711 18726 631 1 . 1 1 132 132 ALA CB C 132 18.314 18.314 18.247 0.066 18726 632 1 . 1 1 132 132 ALA H H 132 9.105 9.105 8.284 0.821 18726 633 1 . 1 1 133 133 SER N N 133 114.523 114.523 113.441 1.082 18726 634 1 . 1 1 133 133 SER HA H 133 4.328 4.328 4.320 0.008 18726 635 1 . 1 1 133 133 SER CA C 133 61.673 61.673 60.452 1.221 18726 636 1 . 1 1 133 133 SER CB C 133 62.621 62.621 63.907 -1.286 18726 637 1 . 1 1 133 133 SER H H 133 7.417 7.417 7.898 -0.481 18726 638 1 . 1 1 134 134 VAL N N 134 124.609 124.609 122.134 2.475 18726 639 1 . 1 1 134 134 VAL HA H 134 3.495 3.495 3.708 -0.213 18726 640 1 . 1 1 134 134 VAL CA C 134 66.867 66.867 65.998 0.869 18726 641 1 . 1 1 134 134 VAL CB C 134 31.514 31.514 31.246 0.268 18726 642 1 . 1 1 134 134 VAL H H 134 7.731 7.731 7.885 -0.154 18726 643 1 . 1 1 135 135 GLN N N 135 118.590 118.590 119.282 -0.692 18726 644 1 . 1 1 135 135 GLN HA H 135 3.932 3.932 3.984 -0.053 18726 645 1 . 1 1 135 135 GLN CA C 135 59.154 59.154 59.050 0.104 18726 646 1 . 1 1 135 135 GLN CB C 135 27.810 27.810 27.220 0.590 18726 647 1 . 1 1 135 135 GLN H H 135 8.247 8.247 8.424 -0.176 18726 648 1 . 1 1 136 136 ALA N N 136 121.867 121.867 121.549 0.318 18726 649 1 . 1 1 136 136 ALA HA H 136 4.184 4.184 4.068 0.116 18726 650 1 . 1 1 136 136 ALA CA C 136 55.229 55.229 54.899 0.330 18726 651 1 . 1 1 136 136 ALA CB C 136 17.924 17.924 17.780 0.144 18726 652 1 . 1 1 136 136 ALA H H 136 7.617 7.617 7.709 -0.092 18726 653 1 . 1 1 137 137 ASP N N 137 121.450 121.450 119.097 2.353 18726 654 1 . 1 1 137 137 ASP HA H 137 4.423 4.423 4.433 -0.010 18726 655 1 . 1 1 137 137 ASP CA C 137 57.480 57.480 57.205 0.275 18726 656 1 . 1 1 137 137 ASP CB C 137 41.735 41.735 40.252 1.483 18726 657 1 . 1 1 137 137 ASP H H 137 8.097 8.097 7.431 0.666 18726 658 1 . 1 1 138 138 VAL N N 138 121.018 121.018 119.623 1.395 18726 659 1 . 1 1 138 138 VAL HA H 138 3.543 3.543 3.690 -0.147 18726 660 1 . 1 1 138 138 VAL CA C 138 67.644 67.644 66.575 1.069 18726 661 1 . 1 1 138 138 VAL CB C 138 31.625 31.625 31.320 0.305 18726 662 1 . 1 1 138 138 VAL H H 138 8.630 8.630 8.160 0.470 18726 663 1 . 1 1 139 139 SER N N 139 117.279 117.279 116.332 0.948 18726 664 1 . 1 1 139 139 SER HA H 139 4.087 4.087 4.353 -0.266 18726 665 1 . 1 1 139 139 SER CA C 139 62.191 62.191 61.950 0.241 18726 666 1 . 1 1 139 139 SER CB C 139 62.996 62.996 63.208 -0.212 18726 667 1 . 1 1 139 139 SER H H 139 8.146 8.146 8.035 0.111 18726 668 1 . 1 1 140 140 LEU N N 140 123.402 123.402 122.760 0.642 18726 669 1 . 1 1 140 140 LEU HA H 140 4.184 4.184 4.186 -0.002 18726 670 1 . 1 1 140 140 LEU CA C 140 59.025 59.025 58.124 0.902 18726 671 1 . 1 1 140 140 LEU CB C 140 42.459 42.459 42.094 0.365 18726 672 1 . 1 1 140 140 LEU H H 140 8.283 8.283 7.719 0.564 18726 673 1 . 1 1 141 141 VAL N N 141 112.944 112.944 115.608 -2.664 18726 674 1 . 1 1 141 141 VAL HA H 141 3.956 3.956 3.660 0.296 18726 675 1 . 1 1 141 141 VAL CA C 141 66.169 66.169 66.303 -0.134 18726 676 1 . 1 1 141 141 VAL CB C 141 30.762 30.762 30.865 -0.104 18726 677 1 . 1 1 141 141 VAL H H 141 8.969 8.969 8.109 0.860 18726 678 1 . 1 1 142 142 THR N N 142 114.612 114.612 114.128 0.484 18726 679 1 . 1 1 142 142 THR HA H 142 4.160 4.160 4.156 0.004 18726 680 1 . 1 1 142 142 THR CA C 142 65.668 65.668 66.068 -0.400 18726 681 1 . 1 1 142 142 THR CB C 142 68.804 68.804 68.508 0.296 18726 682 1 . 1 1 142 142 THR H H 142 8.134 8.134 8.171 -0.037 18726 683 1 . 1 1 143 143 SER N N 143 120.124 120.124 118.434 1.690 18726 684 1 . 1 1 143 143 SER HA H 143 4.292 4.292 4.204 0.088 18726 685 1 . 1 1 143 143 SER CA C 143 62.079 62.079 61.871 0.208 18726 686 1 . 1 1 143 143 SER CB C 143 62.928 62.928 62.860 0.068 18726 687 1 . 1 1 143 143 SER H H 143 8.014 8.014 8.108 -0.094 18726 688 1 . 1 1 144 144 MET N N 144 119.335 119.335 118.822 0.513 18726 689 1 . 1 1 144 144 MET HA H 144 4.226 4.226 4.300 -0.075 18726 690 1 . 1 1 144 144 MET CA C 144 59.189 59.189 58.561 0.628 18726 691 1 . 1 1 144 144 MET CB C 144 33.826 33.826 32.595 1.231 18726 692 1 . 1 1 144 144 MET H H 144 8.172 8.172 7.870 0.302 18726 693 1 . 1 1 145 145 THR N N 145 107.737 107.737 113.886 -6.149 18726 694 1 . 1 1 145 145 THR HA H 145 4.052 4.052 4.105 -0.053 18726 695 1 . 1 1 145 145 THR CA C 145 64.659 64.659 65.381 -0.722 18726 696 1 . 1 1 145 145 THR CB C 145 69.138 69.138 68.339 0.799 18726 697 1 . 1 1 145 145 THR H H 145 7.985 7.985 7.815 0.170 18726 698 1 . 1 1 146 146 SER N N 146 113.986 113.986 117.992 -4.005 18726 699 1 . 1 1 146 146 SER HA H 146 4.393 4.393 4.209 0.184 18726 700 1 . 1 1 146 146 SER CA C 146 60.975 60.975 61.441 -0.466 18726 701 1 . 1 1 146 146 SER CB C 146 63.847 63.847 63.244 0.603 18726 702 1 . 1 1 146 146 SER H H 146 7.802 7.802 8.306 -0.504 18726 703 1 . 1 1 147 147 THR N N 147 109.308 109.308 112.182 -2.874 18726 704 1 . 1 1 147 147 THR HA H 147 4.405 4.405 4.504 -0.099 18726 705 1 . 1 1 147 147 THR CA C 147 61.259 61.259 60.741 0.517 18726 706 1 . 1 1 147 147 THR CB C 147 69.556 69.556 69.016 0.540 18726 707 1 . 1 1 147 147 THR H H 147 7.206 7.206 7.496 -0.290 18726 708 1 . 1 1 148 148 PHE N N 148 122.746 122.746 124.047 -1.301 18726 709 1 . 1 1 148 148 PHE HA H 148 4.441 4.441 4.742 -0.301 18726 710 1 . 1 1 148 148 PHE CA C 148 58.913 58.913 57.027 1.886 18726 711 1 . 1 1 148 148 PHE CB C 148 39.952 39.952 40.608 -0.656 18726 712 1 . 1 1 148 148 PHE H H 148 7.299 7.299 7.968 -0.669 18726 713 1 . 1 1 149 149 VAL N N 149 124.892 124.892 128.241 -3.349 18726 714 1 . 1 1 149 149 VAL HA H 149 3.938 3.938 3.993 -0.055 18726 715 1 . 1 1 149 149 VAL CA C 149 61.233 61.233 60.138 1.095 18726 716 1 . 1 1 149 149 VAL CB C 149 34.410 34.410 34.313 0.097 18726 717 1 . 1 1 149 149 VAL H H 149 7.759 7.759 8.322 -0.563 18726 718 1 . 1 1 150 150 ILE N N 150 124.892 124.892 127.323 -2.431 18726 719 1 . 1 1 150 150 ILE HA H 150 4.015 4.015 3.965 0.050 18726 720 1 . 1 1 150 150 ILE CA C 150 60.655 60.655 61.091 -0.436 18726 721 1 . 1 1 150 150 ILE CB C 150 38.755 38.755 37.345 1.410 18726 722 1 . 1 1 150 150 ILE H H 150 8.120 8.120 8.197 -0.077 18726 723 1 . 1 1 151 151 SER N N 151 121.942 121.942 121.451 0.491 18726 724 1 . 1 1 151 151 SER HA H 151 4.483 4.483 4.360 0.123 18726 725 1 . 1 1 151 151 SER CA C 151 58.136 58.136 58.267 -0.131 18726 726 1 . 1 1 151 151 SER CB C 151 64.264 64.264 62.848 1.416 18726 727 1 . 1 1 151 151 SER H H 151 8.746 8.746 8.645 0.101 18726 728 1 . 1 1 152 152 SER HA H 152 4.453 4.453 4.401 0.052 18726 729 1 . 1 1 152 152 SER CA C 152 58.481 58.481 58.636 -0.155 18726 730 1 . 1 1 152 152 SER CB C 152 64.188 64.188 63.480 0.708 18726 731 1 . 1 1 153 153 GLN N N 153 122.081 122.081 119.690 2.391 18726 732 1 . 1 1 153 153 GLN HA H 153 4.325 4.325 4.142 0.183 18726 733 1 . 1 1 153 153 GLN CA C 153 56.104 56.104 57.059 -0.955 18726 734 1 . 1 1 153 153 GLN CB C 153 29.322 29.322 29.405 -0.083 18726 735 1 . 1 1 153 153 GLN H H 153 8.404 8.404 8.227 0.177 18726 736 1 . 1 1 154 154 THR HA H 154 4.345 4.345 4.190 0.155 18726 737 1 . 1 1 154 154 THR CA C 154 62.036 62.036 62.702 -0.666 18726 738 1 . 1 1 154 154 THR CB C 154 69.806 69.806 68.812 0.994 18726 739 1 . 1 1 155 155 SER N N 155 118.158 118.158 117.326 0.832 18726 740 1 . 1 1 155 155 SER HA H 155 4.465 4.465 4.562 -0.097 18726 741 1 . 1 1 155 155 SER CA C 155 58.447 58.447 57.849 0.598 18726 742 1 . 1 1 155 155 SER CB C 155 64.069 64.069 64.007 0.062 18726 743 1 . 1 1 155 155 SER H H 155 8.275 8.275 8.257 0.018 18726 744 1 . 1 1 156 156 VAL N N 156 121.614 121.614 121.025 0.589 18726 745 1 . 1 1 156 156 VAL HA H 156 4.094 4.094 4.217 -0.123 18726 746 1 . 1 1 156 156 VAL CA C 156 62.553 62.553 62.559 -0.006 18726 747 1 . 1 1 156 156 VAL CB C 156 32.823 32.823 32.562 0.261 18726 748 1 . 1 1 156 156 VAL H H 156 8.103 8.103 8.082 0.022 18726 749 1 . 1 1 157 157 GLN N N 157 123.938 123.938 123.303 0.635 18726 750 1 . 1 1 157 157 GLN HA H 157 4.310 4.310 4.530 -0.220 18726 751 1 . 1 1 157 157 GLN CA C 157 55.867 55.867 55.747 0.120 18726 752 1 . 1 1 157 157 GLN CB C 157 29.370 29.370 30.041 -0.671 18726 753 1 . 1 1 157 157 GLN H H 157 8.371 8.371 8.353 0.018 18726 754 1 . 1 1 158 158 MET N N 158 122.300 122.300 119.637 2.663 18726 755 1 . 1 1 158 158 MET HA H 158 4.470 4.470 4.816 -0.346 18726 756 1 . 1 1 158 158 MET CA C 158 55.720 55.720 55.244 0.476 18726 757 1 . 1 1 158 158 MET CB C 158 32.959 32.959 34.306 -1.347 18726 758 1 . 1 1 158 158 MET H H 158 8.425 8.425 8.447 -0.023 18726 759 1 . 1 1 159 159 GLY N N 159 110.605 110.605 109.481 1.124 18726 760 1 . 1 1 159 159 GLY CA C 159 45.689 45.689 45.021 0.668 18726 761 1 . 1 1 159 159 GLY H H 159 8.396 8.396 8.676 -0.280 18726 stop_ save_