data_25793 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25793 _Entry.PDB_ID 2N74 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 25793 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ASP HA H 2 4.703 4.703 4.881 -0.178 25793 2 1 1 . 1 1 2 2 ASP C C 2 173.678 173.678 175.115 -1.437 25793 3 1 1 . 1 1 2 2 ASP CA C 2 51.357 51.357 54.314 -2.957 25793 4 1 1 . 1 1 2 2 ASP CB C 2 39.114 39.114 41.883 -2.769 25793 5 1 1 . 1 1 3 3 SER N N 3 118.993 118.993 119.270 -0.277 25793 6 1 1 . 1 1 3 3 SER HA H 3 4.237 4.237 4.403 -0.166 25793 7 1 1 . 1 1 3 3 SER C C 3 173.240 173.240 175.139 -1.899 25793 8 1 1 . 1 1 3 3 SER CA C 3 57.300 57.300 59.748 -2.448 25793 9 1 1 . 1 1 3 3 SER CB C 3 60.653 60.653 64.520 -3.867 25793 10 1 1 . 1 1 3 3 SER H H 3 8.745 8.745 8.781 -0.036 25793 11 1 1 . 1 1 4 4 ASN N N 4 122.369 122.369 120.024 2.345 25793 12 1 1 . 1 1 4 4 ASN HA H 4 4.576 4.576 4.852 -0.276 25793 13 1 1 . 1 1 4 4 ASN C C 4 176.101 176.101 176.412 -0.311 25793 14 1 1 . 1 1 4 4 ASN CA C 4 52.488 52.488 55.103 -2.615 25793 15 1 1 . 1 1 4 4 ASN CB C 4 33.507 33.507 38.911 -5.404 25793 16 1 1 . 1 1 4 4 ASN H H 4 8.865 8.865 8.800 0.065 25793 17 1 1 . 1 1 5 5 THR N N 5 122.349 122.349 114.200 8.149 25793 18 1 1 . 1 1 5 5 THR HA H 5 4.330 4.330 4.325 0.005 25793 19 1 1 . 1 1 5 5 THR C C 5 174.576 174.576 175.333 -0.757 25793 20 1 1 . 1 1 5 5 THR CA C 5 63.330 63.330 64.473 -1.143 25793 21 1 1 . 1 1 5 5 THR CB C 5 66.155 66.155 68.726 -2.571 25793 22 1 1 . 1 1 5 5 THR H H 5 8.200 8.200 8.017 0.183 25793 23 1 1 . 1 1 6 6 VAL N N 6 124.255 124.255 118.763 5.492 25793 24 1 1 . 1 1 6 6 VAL HA H 6 3.480 3.480 4.054 -0.575 25793 25 1 1 . 1 1 6 6 VAL C C 6 174.988 174.988 177.589 -2.601 25793 26 1 1 . 1 1 6 6 VAL CA C 6 64.919 64.919 64.080 0.839 25793 27 1 1 . 1 1 6 6 VAL CB C 6 28.699 28.699 32.305 -3.606 25793 28 1 1 . 1 1 6 6 VAL H H 6 7.590 7.590 7.476 0.114 25793 29 1 1 . 1 1 7 7 SER N N 7 116.402 116.402 116.632 -0.230 25793 30 1 1 . 1 1 7 7 SER HA H 7 4.459 4.459 4.293 0.166 25793 31 1 1 . 1 1 7 7 SER C C 7 173.494 173.494 176.947 -3.453 25793 32 1 1 . 1 1 7 7 SER CA C 7 59.174 59.174 62.478 -3.304 25793 33 1 1 . 1 1 7 7 SER CB C 7 60.020 60.020 62.760 -2.740 25793 34 1 1 . 1 1 7 7 SER H H 7 8.721 8.721 7.955 0.766 25793 35 1 1 . 1 1 8 8 SER N N 8 116.463 116.463 116.168 0.295 25793 36 1 1 . 1 1 8 8 SER HA H 8 3.745 3.745 4.384 -0.639 25793 37 1 1 . 1 1 8 8 SER C C 8 171.540 171.540 176.076 -4.536 25793 38 1 1 . 1 1 8 8 SER CA C 8 60.322 60.322 60.592 -0.270 25793 39 1 1 . 1 1 8 8 SER CB C 8 60.785 60.785 63.118 -2.333 25793 40 1 1 . 1 1 8 8 SER H H 8 8.213 8.213 7.768 0.445 25793 41 1 1 . 1 1 9 9 PHE N N 9 121.530 121.530 123.230 -1.700 25793 42 1 1 . 1 1 9 9 PHE HA H 9 4.405 4.405 4.519 -0.114 25793 43 1 1 . 1 1 9 9 PHE C C 9 174.481 174.481 177.051 -2.570 25793 44 1 1 . 1 1 9 9 PHE CA C 9 58.488 58.488 60.244 -1.756 25793 45 1 1 . 1 1 9 9 PHE CB C 9 36.397 36.397 39.524 -3.127 25793 46 1 1 . 1 1 9 9 PHE H H 9 7.387 7.387 7.318 0.069 25793 47 1 1 . 1 1 10 10 GLN N N 10 119.460 119.460 119.948 -0.488 25793 48 1 1 . 1 1 10 10 GLN HA H 10 3.516 3.516 3.902 -0.386 25793 49 1 1 . 1 1 10 10 GLN C C 10 176.083 176.083 178.468 -2.385 25793 50 1 1 . 1 1 10 10 GLN CA C 10 56.595 56.595 59.386 -2.791 25793 51 1 1 . 1 1 10 10 GLN CB C 10 23.672 23.672 28.912 -5.240 25793 52 1 1 . 1 1 10 10 GLN H H 10 8.335 8.335 8.240 0.095 25793 53 1 1 . 1 1 11 11 VAL N N 11 119.513 119.513 119.497 0.016 25793 54 1 1 . 1 1 11 11 VAL HA H 11 3.300 3.300 3.714 -0.414 25793 55 1 1 . 1 1 11 11 VAL C C 11 174.535 174.535 177.710 -3.175 25793 56 1 1 . 1 1 11 11 VAL CA C 11 65.180 65.180 67.375 -2.195 25793 57 1 1 . 1 1 11 11 VAL CB C 11 28.300 28.300 32.054 -3.755 25793 58 1 1 . 1 1 11 11 VAL H H 11 8.127 8.127 7.946 0.181 25793 59 1 1 . 1 1 12 12 ASP N N 12 120.959 120.959 121.026 -0.067 25793 60 1 1 . 1 1 12 12 ASP HA H 12 4.414 4.414 4.473 -0.059 25793 61 1 1 . 1 1 12 12 ASP C C 12 177.940 177.940 178.434 -0.494 25793 62 1 1 . 1 1 12 12 ASP CA C 12 55.349 55.349 58.153 -2.804 25793 63 1 1 . 1 1 12 12 ASP CB C 12 37.275 37.275 40.612 -3.337 25793 64 1 1 . 1 1 12 12 ASP H H 12 8.116 8.116 7.720 0.396 25793 65 1 1 . 1 1 13 13 CYS N N 13 119.479 119.479 118.053 1.426 25793 66 1 1 . 1 1 13 13 CYS HA H 13 4.015 4.015 4.152 -0.137 25793 67 1 1 . 1 1 13 13 CYS C C 13 175.349 175.349 176.797 -1.448 25793 68 1 1 . 1 1 13 13 CYS CA C 13 62.384 62.384 64.264 -1.880 25793 69 1 1 . 1 1 13 13 CYS CB C 13 23.610 23.610 27.297 -3.687 25793 70 1 1 . 1 1 13 13 CYS H H 13 8.448 8.448 7.932 0.516 25793 71 1 1 . 1 1 14 14 PHE N N 14 121.085 121.085 122.431 -1.346 25793 72 1 1 . 1 1 14 14 PHE HA H 14 4.460 4.460 4.324 0.136 25793 73 1 1 . 1 1 14 14 PHE C C 14 174.143 174.143 176.781 -2.638 25793 74 1 1 . 1 1 14 14 PHE CA C 14 59.902 59.902 61.178 -1.276 25793 75 1 1 . 1 1 14 14 PHE CB C 14 35.907 35.907 38.962 -3.055 25793 76 1 1 . 1 1 14 14 PHE H H 14 8.244 8.244 7.655 0.589 25793 77 1 1 . 1 1 15 15 LEU N N 15 118.069 118.069 119.442 -1.373 25793 78 1 1 . 1 1 15 15 LEU HA H 15 3.735 3.735 3.804 -0.069 25793 79 1 1 . 1 1 15 15 LEU C C 15 176.261 176.261 178.749 -2.488 25793 80 1 1 . 1 1 15 15 LEU CA C 15 55.494 55.494 58.830 -3.336 25793 81 1 1 . 1 1 15 15 LEU CB C 15 36.676 36.676 41.650 -4.974 25793 82 1 1 . 1 1 15 15 LEU H H 15 9.072 9.072 8.559 0.513 25793 83 1 1 . 1 1 16 16 TRP N N 16 120.587 120.587 120.493 0.094 25793 84 1 1 . 1 1 16 16 TRP HA H 16 3.660 3.660 4.246 -0.586 25793 85 1 1 . 1 1 16 16 TRP C C 16 173.925 173.925 177.705 -3.780 25793 86 1 1 . 1 1 16 16 TRP CA C 16 61.127 61.127 61.703 -0.576 25793 87 1 1 . 1 1 16 16 TRP CB C 16 26.247 26.247 29.424 -3.177 25793 88 1 1 . 1 1 16 16 TRP H H 16 8.142 8.142 8.468 -0.326 25793 89 1 1 . 1 1 17 17 HIS N N 17 117.927 117.927 118.636 -0.709 25793 90 1 1 . 1 1 17 17 HIS HA H 17 4.022 4.022 3.977 0.045 25793 91 1 1 . 1 1 17 17 HIS C C 17 173.650 173.650 176.815 -3.165 25793 92 1 1 . 1 1 17 17 HIS CA C 17 57.350 57.350 59.403 -2.053 25793 93 1 1 . 1 1 17 17 HIS CB C 17 25.231 25.231 29.794 -4.563 25793 94 1 1 . 1 1 17 17 HIS H H 17 7.697 7.697 7.565 0.132 25793 95 1 1 . 1 1 18 18 VAL N N 18 118.787 118.787 118.624 0.163 25793 96 1 1 . 1 1 18 18 VAL HA H 18 2.949 2.949 3.532 -0.583 25793 97 1 1 . 1 1 18 18 VAL C C 18 174.321 174.321 177.832 -3.511 25793 98 1 1 . 1 1 18 18 VAL CA C 18 64.400 64.400 65.250 -0.850 25793 99 1 1 . 1 1 18 18 VAL CB C 18 28.400 28.400 30.924 -2.524 25793 100 1 1 . 1 1 18 18 VAL H H 18 7.651 7.651 7.592 0.059 25793 101 1 1 . 1 1 19 19 ARG N N 19 118.108 118.108 119.473 -1.365 25793 102 1 1 . 1 1 19 19 ARG HA H 19 3.661 3.661 4.135 -0.474 25793 103 1 1 . 1 1 19 19 ARG C C 19 174.575 174.575 178.210 -3.635 25793 104 1 1 . 1 1 19 19 ARG CA C 19 57.558 57.558 59.524 -1.966 25793 105 1 1 . 1 1 19 19 ARG CB C 19 28.140 28.140 30.329 -2.189 25793 106 1 1 . 1 1 19 19 ARG H H 19 7.602 7.602 7.571 0.031 25793 107 1 1 . 1 1 20 20 LYS N N 20 121.889 121.889 119.262 2.627 25793 108 1 1 . 1 1 20 20 LYS HA H 20 3.530 3.530 3.996 -0.466 25793 109 1 1 . 1 1 20 20 LYS C C 20 174.970 174.970 178.666 -3.696 25793 110 1 1 . 1 1 20 20 LYS CA C 20 55.292 55.292 58.186 -2.894 25793 111 1 1 . 1 1 20 20 LYS CB C 20 28.420 28.420 31.317 -2.897 25793 112 1 1 . 1 1 20 20 LYS H H 20 8.304 8.304 8.102 0.202 25793 113 1 1 . 1 1 21 21 ARG N N 21 118.825 118.825 118.556 0.269 25793 114 1 1 . 1 1 21 21 ARG HA H 21 3.915 3.915 4.058 -0.143 25793 115 1 1 . 1 1 21 21 ARG C C 21 176.513 176.513 177.027 -0.514 25793 116 1 1 . 1 1 21 21 ARG CA C 21 55.003 55.003 58.246 -3.243 25793 117 1 1 . 1 1 21 21 ARG CB C 21 26.002 26.002 30.213 -4.211 25793 118 1 1 . 1 1 21 21 ARG H H 21 7.772 7.772 7.397 0.375 25793 119 1 1 . 1 1 22 22 PHE N N 22 120.501 120.501 119.436 1.065 25793 120 1 1 . 1 1 22 22 PHE HA H 22 3.899 3.899 4.322 -0.423 25793 121 1 1 . 1 1 22 22 PHE C C 22 173.880 173.880 176.049 -2.169 25793 122 1 1 . 1 1 22 22 PHE CA C 22 58.542 58.542 60.266 -1.724 25793 123 1 1 . 1 1 22 22 PHE CB C 22 35.961 35.961 39.548 -3.587 25793 124 1 1 . 1 1 22 22 PHE H H 22 7.799 7.799 7.484 0.315 25793 125 1 1 . 1 1 23 23 ALA N N 23 123.040 123.040 121.568 1.472 25793 126 1 1 . 1 1 23 23 ALA HA H 23 3.720 3.720 4.082 -0.362 25793 127 1 1 . 1 1 23 23 ALA C C 23 179.545 179.545 179.911 -0.366 25793 128 1 1 . 1 1 23 23 ALA CA C 23 51.750 51.750 54.834 -3.084 25793 129 1 1 . 1 1 23 23 ALA CB C 23 15.970 15.970 18.342 -2.372 25793 130 1 1 . 1 1 23 23 ALA H H 23 8.627 8.627 8.267 0.360 25793 131 1 1 . 1 1 24 24 ASP N N 24 121.514 121.514 117.560 3.954 25793 132 1 1 . 1 1 24 24 ASP HA H 24 4.323 4.323 4.497 -0.174 25793 133 1 1 . 1 1 24 24 ASP C C 24 175.020 175.020 177.141 -2.121 25793 134 1 1 . 1 1 24 24 ASP CA C 24 53.645 53.645 56.254 -2.609 25793 135 1 1 . 1 1 24 24 ASP CB C 24 37.158 37.158 40.739 -3.581 25793 136 1 1 . 1 1 24 24 ASP H H 24 8.846 8.846 7.869 0.977 25793 137 1 1 . 1 1 25 25 GLN N N 25 118.127 118.127 117.354 0.773 25793 138 1 1 . 1 1 25 25 GLN HA H 25 4.159 4.159 4.309 -0.150 25793 139 1 1 . 1 1 25 25 GLN C C 25 171.680 171.680 174.863 -3.183 25793 140 1 1 . 1 1 25 25 GLN CA C 25 53.101 53.101 55.532 -2.431 25793 141 1 1 . 1 1 25 25 GLN CB C 25 25.351 25.351 29.912 -4.561 25793 142 1 1 . 1 1 25 25 GLN H H 25 7.192 7.192 7.395 -0.203 25793 143 1 1 . 1 1 26 26 GLU N N 26 112.361 112.361 117.163 -4.802 25793 144 1 1 . 1 1 26 26 GLU HA H 26 3.906 3.906 3.875 0.031 25793 145 1 1 . 1 1 26 26 GLU C C 26 173.060 173.060 174.866 -1.806 25793 146 1 1 . 1 1 26 26 GLU CA C 26 54.352 54.352 57.123 -2.771 25793 147 1 1 . 1 1 26 26 GLU CB C 26 22.759 22.759 27.725 -4.966 25793 148 1 1 . 1 1 26 26 GLU H H 26 7.975 7.975 7.713 0.262 25793 149 1 1 . 1 1 27 27 LEU N N 27 115.873 115.873 121.063 -5.190 25793 150 1 1 . 1 1 27 27 LEU HA H 27 4.043 4.043 4.151 -0.108 25793 151 1 1 . 1 1 27 27 LEU C C 27 172.610 172.610 175.601 -2.991 25793 152 1 1 . 1 1 27 27 LEU CA C 27 50.921 50.921 54.003 -3.082 25793 153 1 1 . 1 1 27 27 LEU CB C 27 40.359 40.359 42.185 -1.826 25793 154 1 1 . 1 1 27 27 LEU H H 27 5.781 5.781 7.433 -1.652 25793 155 1 1 . 1 1 28 28 GLY N N 28 103.011 103.011 111.370 -8.359 25793 156 1 1 . 1 1 28 28 GLY C C 28 172.297 172.297 173.233 -0.936 25793 157 1 1 . 1 1 28 28 GLY CA C 28 41.348 41.348 43.952 -2.604 25793 158 1 1 . 1 1 28 28 GLY H H 28 7.785 7.785 8.120 -0.335 25793 159 1 1 . 1 1 29 29 ASP N N 29 122.671 122.671 119.487 3.184 25793 160 1 1 . 1 1 29 29 ASP HA H 29 4.720 4.720 4.784 -0.064 25793 161 1 1 . 1 1 29 29 ASP C C 29 172.137 172.137 177.873 -5.736 25793 162 1 1 . 1 1 29 29 ASP CA C 29 48.748 48.748 53.413 -4.665 25793 163 1 1 . 1 1 29 29 ASP CB C 29 38.519 38.519 41.715 -3.196 25793 164 1 1 . 1 1 29 29 ASP H H 29 7.515 7.515 8.278 -0.763 25793 165 1 1 . 1 1 30 30 ALA N N 30 119.757 119.757 123.226 -3.469 25793 166 1 1 . 1 1 30 30 ALA HA H 30 4.240 4.240 4.254 -0.014 25793 167 1 1 . 1 1 30 30 ALA CA C 30 54.400 54.400 55.205 -0.805 25793 168 1 1 . 1 1 30 30 ALA CB C 30 12.540 12.540 16.884 -4.344 25793 169 1 1 . 1 1 30 30 ALA H H 30 8.492 8.492 8.584 -0.092 25793 170 1 1 . 1 1 31 31 PRO HA H 31 4.361 4.361 4.492 -0.131 25793 171 1 1 . 1 1 31 31 PRO C C 31 175.699 175.699 177.963 -2.264 25793 172 1 1 . 1 1 31 31 PRO CA C 31 63.220 63.220 64.539 -1.319 25793 173 1 1 . 1 1 31 31 PRO CB C 31 28.336 28.336 31.311 -2.974 25793 174 1 1 . 1 1 32 32 PHE N N 32 119.824 119.824 118.287 1.537 25793 175 1 1 . 1 1 32 32 PHE HA H 32 3.885 3.885 4.298 -0.413 25793 176 1 1 . 1 1 32 32 PHE C C 32 176.949 176.949 177.270 -0.321 25793 177 1 1 . 1 1 32 32 PHE CA C 32 59.685 59.685 61.763 -2.078 25793 178 1 1 . 1 1 32 32 PHE CB C 32 36.778 36.778 39.335 -2.557 25793 179 1 1 . 1 1 32 32 PHE H H 32 7.949 7.949 7.696 0.253 25793 180 1 1 . 1 1 33 33 LEU N N 33 121.755 121.755 119.547 2.208 25793 181 1 1 . 1 1 33 33 LEU HA H 33 4.063 4.063 4.049 0.014 25793 182 1 1 . 1 1 33 33 LEU C C 33 176.490 176.490 178.711 -2.221 25793 183 1 1 . 1 1 33 33 LEU CA C 33 54.968 54.968 57.984 -3.017 25793 184 1 1 . 1 1 33 33 LEU CB C 33 38.335 38.335 41.952 -3.617 25793 185 1 1 . 1 1 33 33 LEU H H 33 8.386 8.386 7.794 0.592 25793 186 1 1 . 1 1 34 34 ASP N N 34 121.771 121.771 120.458 1.313 25793 187 1 1 . 1 1 34 34 ASP HA H 34 4.399 4.399 4.355 0.044 25793 188 1 1 . 1 1 34 34 ASP C C 34 176.196 176.196 178.633 -2.437 25793 189 1 1 . 1 1 34 34 ASP CA C 34 54.871 54.871 58.221 -3.350 25793 190 1 1 . 1 1 34 34 ASP CB C 34 38.471 38.471 40.701 -2.230 25793 191 1 1 . 1 1 34 34 ASP H H 34 8.252 8.252 7.618 0.634 25793 192 1 1 . 1 1 35 35 ARG N N 35 119.119 119.119 119.150 -0.031 25793 193 1 1 . 1 1 35 35 ARG HA H 35 3.818 3.818 3.947 -0.129 25793 194 1 1 . 1 1 35 35 ARG C C 35 175.752 175.752 178.526 -2.774 25793 195 1 1 . 1 1 35 35 ARG CA C 35 57.302 57.302 59.135 -1.833 25793 196 1 1 . 1 1 35 35 ARG CB C 35 27.486 27.486 30.269 -2.783 25793 197 1 1 . 1 1 35 35 ARG H H 35 8.197 8.197 7.889 0.308 25793 198 1 1 . 1 1 36 36 LEU N N 36 120.940 120.940 120.313 0.627 25793 199 1 1 . 1 1 36 36 LEU HA H 36 3.872 3.872 4.010 -0.138 25793 200 1 1 . 1 1 36 36 LEU C C 36 177.676 177.676 178.691 -1.015 25793 201 1 1 . 1 1 36 36 LEU CA C 36 55.818 55.818 58.251 -2.433 25793 202 1 1 . 1 1 36 36 LEU CB C 36 40.156 40.156 41.987 -1.831 25793 203 1 1 . 1 1 36 36 LEU H H 36 7.735 7.735 7.865 -0.130 25793 204 1 1 . 1 1 37 37 ARG N N 37 120.596 120.596 117.807 2.789 25793 205 1 1 . 1 1 37 37 ARG HA H 37 4.241 4.241 4.184 0.057 25793 206 1 1 . 1 1 37 37 ARG C C 37 174.571 174.571 179.157 -4.586 25793 207 1 1 . 1 1 37 37 ARG CA C 37 56.891 56.891 59.477 -2.586 25793 208 1 1 . 1 1 37 37 ARG CB C 37 27.936 27.936 29.906 -1.970 25793 209 1 1 . 1 1 37 37 ARG H H 37 8.006 8.006 7.627 0.379 25793 210 1 1 . 1 1 38 38 ARG N N 38 121.436 121.436 118.708 2.728 25793 211 1 1 . 1 1 38 38 ARG HA H 38 3.987 3.987 4.078 -0.091 25793 212 1 1 . 1 1 38 38 ARG C C 38 177.290 177.290 178.011 -0.721 25793 213 1 1 . 1 1 38 38 ARG CA C 38 57.131 57.131 59.022 -1.891 25793 214 1 1 . 1 1 38 38 ARG CB C 38 27.450 27.450 30.289 -2.839 25793 215 1 1 . 1 1 38 38 ARG H H 38 8.307 8.307 7.586 0.721 25793 216 1 1 . 1 1 39 39 ASP N N 39 120.034 120.034 117.954 2.080 25793 217 1 1 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.689 -0.160 25793 218 1 1 . 1 1 39 39 ASP C C 39 174.864 174.864 178.252 -3.388 25793 219 1 1 . 1 1 39 39 ASP CA C 39 53.700 53.700 56.826 -3.126 25793 220 1 1 . 1 1 39 39 ASP CB C 39 37.158 37.158 41.407 -4.249 25793 221 1 1 . 1 1 39 39 ASP H H 39 8.737 8.737 7.698 1.039 25793 222 1 1 . 1 1 40 40 GLN N N 40 121.853 121.853 119.954 1.899 25793 223 1 1 . 1 1 40 40 GLN HA H 40 2.999 2.999 3.860 -0.861 25793 224 1 1 . 1 1 40 40 GLN C C 40 175.010 175.010 178.272 -3.262 25793 225 1 1 . 1 1 40 40 GLN CA C 40 56.747 56.747 59.300 -2.553 25793 226 1 1 . 1 1 40 40 GLN CB C 40 25.196 25.196 28.901 -3.705 25793 227 1 1 . 1 1 40 40 GLN H H 40 7.954 7.954 8.537 -0.583 25793 228 1 1 . 1 1 41 41 LYS N N 41 117.346 117.346 119.365 -2.019 25793 229 1 1 . 1 1 41 41 LYS HA H 41 3.914 3.914 4.070 -0.156 25793 230 1 1 . 1 1 41 41 LYS C C 41 177.117 177.117 179.239 -2.122 25793 231 1 1 . 1 1 41 41 LYS CA C 41 56.689 56.689 59.241 -2.552 25793 232 1 1 . 1 1 41 41 LYS CB C 41 29.446 29.446 32.098 -2.652 25793 233 1 1 . 1 1 41 41 LYS H H 41 7.014 7.014 7.547 -0.533 25793 234 1 1 . 1 1 42 42 SER N N 42 115.844 115.844 116.205 -0.361 25793 235 1 1 . 1 1 42 42 SER HA H 42 4.262 4.262 4.327 -0.065 25793 236 1 1 . 1 1 42 42 SER C C 42 175.262 175.262 176.316 -1.054 25793 237 1 1 . 1 1 42 42 SER CA C 42 58.256 58.256 60.990 -2.735 25793 238 1 1 . 1 1 42 42 SER CB C 42 59.683 59.683 62.793 -3.110 25793 239 1 1 . 1 1 42 42 SER H H 42 7.875 7.875 7.672 0.203 25793 240 1 1 . 1 1 43 43 LEU N N 43 123.254 123.254 122.385 0.869 25793 241 1 1 . 1 1 43 43 LEU HA H 43 4.082 4.082 4.005 0.077 25793 242 1 1 . 1 1 43 43 LEU C C 43 176.505 176.505 178.947 -2.442 25793 243 1 1 . 1 1 43 43 LEU CA C 43 55.621 55.621 58.306 -2.685 25793 244 1 1 . 1 1 43 43 LEU CB C 43 38.460 38.460 41.812 -3.352 25793 245 1 1 . 1 1 43 43 LEU H H 43 8.736 8.736 8.338 0.398 25793 246 1 1 . 1 1 44 44 ARG N N 44 118.877 118.877 117.895 0.982 25793 247 1 1 . 1 1 44 44 ARG HA H 44 4.011 4.011 4.002 0.009 25793 248 1 1 . 1 1 44 44 ARG C C 44 177.379 177.379 179.003 -1.624 25793 249 1 1 . 1 1 44 44 ARG CA C 44 56.911 56.911 59.491 -2.580 25793 250 1 1 . 1 1 44 44 ARG CB C 44 26.602 26.602 30.043 -3.441 25793 251 1 1 . 1 1 44 44 ARG H H 44 7.686 7.686 7.689 -0.003 25793 252 1 1 . 1 1 45 45 GLY N N 45 107.372 107.372 106.107 1.265 25793 253 1 1 . 1 1 45 45 GLY C C 45 173.935 173.935 175.766 -1.831 25793 254 1 1 . 1 1 45 45 GLY CA C 45 44.395 44.395 46.298 -1.903 25793 255 1 1 . 1 1 45 45 GLY H H 45 7.762 7.762 8.074 -0.312 25793 256 1 1 . 1 1 46 46 ARG N N 46 123.780 123.780 121.780 2.000 25793 257 1 1 . 1 1 46 46 ARG HA H 46 3.902 3.902 4.302 -0.400 25793 258 1 1 . 1 1 46 46 ARG C C 46 175.910 175.910 179.273 -3.363 25793 259 1 1 . 1 1 46 46 ARG CA C 46 56.375 56.375 58.143 -1.768 25793 260 1 1 . 1 1 46 46 ARG CB C 46 28.851 28.851 30.267 -1.415 25793 261 1 1 . 1 1 46 46 ARG H H 46 8.381 8.381 7.644 0.737 25793 262 1 1 . 1 1 47 47 GLY N N 47 107.330 107.330 108.391 -1.061 25793 263 1 1 . 1 1 47 47 GLY C C 47 173.406 173.406 175.456 -2.050 25793 264 1 1 . 1 1 47 47 GLY CA C 47 45.429 45.429 46.888 -1.459 25793 265 1 1 . 1 1 47 47 GLY H H 47 8.782 8.782 7.859 0.923 25793 266 1 1 . 1 1 48 48 SER N N 48 116.214 116.214 117.166 -0.952 25793 267 1 1 . 1 1 48 48 SER HA H 48 4.200 4.200 4.131 0.069 25793 268 1 1 . 1 1 48 48 SER C C 48 174.824 174.824 177.027 -2.203 25793 269 1 1 . 1 1 48 48 SER CA C 48 58.531 58.531 61.964 -3.433 25793 270 1 1 . 1 1 48 48 SER CB C 48 59.837 59.837 62.900 -3.063 25793 271 1 1 . 1 1 48 48 SER H H 48 7.737 7.737 7.642 0.095 25793 272 1 1 . 1 1 49 49 THR N N 49 118.158 118.158 117.961 0.197 25793 273 1 1 . 1 1 49 49 THR HA H 49 3.885 3.885 3.962 -0.077 25793 274 1 1 . 1 1 49 49 THR C C 49 173.322 173.322 176.074 -2.752 25793 275 1 1 . 1 1 49 49 THR CA C 49 63.385 63.385 64.893 -1.508 25793 276 1 1 . 1 1 49 49 THR CB C 49 65.997 65.997 68.621 -2.624 25793 277 1 1 . 1 1 49 49 THR H H 49 7.784 7.784 7.469 0.315 25793 278 1 1 . 1 1 50 50 LEU N N 50 118.727 118.727 120.487 -1.760 25793 279 1 1 . 1 1 50 50 LEU HA H 50 4.050 4.050 4.307 -0.257 25793 280 1 1 . 1 1 50 50 LEU C C 50 174.153 174.153 177.480 -3.327 25793 281 1 1 . 1 1 50 50 LEU CA C 50 52.580 52.580 54.987 -2.407 25793 282 1 1 . 1 1 50 50 LEU CB C 50 39.994 39.994 42.328 -2.334 25793 283 1 1 . 1 1 50 50 LEU H H 50 7.734 7.734 7.652 0.082 25793 284 1 1 . 1 1 51 51 GLY N N 51 108.894 108.894 107.496 1.398 25793 285 1 1 . 1 1 51 51 GLY C C 51 171.597 171.597 174.104 -2.507 25793 286 1 1 . 1 1 51 51 GLY CA C 51 43.400 43.400 45.353 -1.953 25793 287 1 1 . 1 1 51 51 GLY H H 51 7.698 7.698 7.694 0.004 25793 288 1 1 . 1 1 52 52 LEU N N 52 119.252 119.252 120.138 -0.886 25793 289 1 1 . 1 1 52 52 LEU HA H 52 4.638 4.638 4.565 0.073 25793 290 1 1 . 1 1 52 52 LEU C C 52 172.244 172.244 176.385 -4.141 25793 291 1 1 . 1 1 52 52 LEU CA C 52 50.261 50.261 54.111 -3.850 25793 292 1 1 . 1 1 52 52 LEU CB C 52 42.411 42.411 44.430 -2.019 25793 293 1 1 . 1 1 52 52 LEU H H 52 7.661 7.661 7.650 0.011 25793 294 1 1 . 1 1 53 53 ASP N N 53 121.433 121.433 124.506 -3.073 25793 295 1 1 . 1 1 53 53 ASP HA H 53 4.658 4.658 4.682 -0.024 25793 296 1 1 . 1 1 53 53 ASP C C 53 174.204 174.204 177.290 -3.086 25793 297 1 1 . 1 1 53 53 ASP CA C 53 50.435 50.435 55.134 -4.699 25793 298 1 1 . 1 1 53 53 ASP CB C 53 40.206 40.206 42.039 -1.833 25793 299 1 1 . 1 1 53 53 ASP H H 53 8.127 8.127 8.560 -0.433 25793 300 1 1 . 1 1 54 54 ILE N N 54 125.804 125.804 127.447 -1.643 25793 301 1 1 . 1 1 54 54 ILE HA H 54 3.797 3.797 3.727 0.070 25793 302 1 1 . 1 1 54 54 ILE C C 54 176.613 176.613 177.276 -0.663 25793 303 1 1 . 1 1 54 54 ILE CA C 54 62.133 62.133 64.355 -2.221 25793 304 1 1 . 1 1 54 54 ILE CB C 54 35.036 35.036 38.577 -3.541 25793 305 1 1 . 1 1 54 54 ILE H H 54 8.788 8.788 8.822 -0.034 25793 306 1 1 . 1 1 55 55 GLU N N 55 125.797 125.797 118.453 7.344 25793 307 1 1 . 1 1 55 55 GLU HA H 55 4.009 4.009 4.094 -0.085 25793 308 1 1 . 1 1 55 55 GLU C C 55 176.730 176.730 177.766 -1.036 25793 309 1 1 . 1 1 55 55 GLU CA C 55 57.998 57.998 59.198 -1.200 25793 310 1 1 . 1 1 55 55 GLU CB C 55 25.895 25.895 29.059 -3.164 25793 311 1 1 . 1 1 55 55 GLU H H 55 8.945 8.945 8.850 0.096 25793 312 1 1 . 1 1 56 56 THR N N 56 117.286 117.286 112.942 4.344 25793 313 1 1 . 1 1 56 56 THR HA H 56 3.817 3.817 4.212 -0.395 25793 314 1 1 . 1 1 56 56 THR C C 56 174.617 174.617 175.108 -0.491 25793 315 1 1 . 1 1 56 56 THR CA C 56 63.766 63.766 64.207 -0.441 25793 316 1 1 . 1 1 56 56 THR CB C 56 65.452 65.452 68.991 -3.539 25793 317 1 1 . 1 1 56 56 THR H H 56 8.240 8.240 7.848 0.392 25793 318 1 1 . 1 1 57 57 ALA N N 57 125.072 125.072 122.841 2.231 25793 319 1 1 . 1 1 57 57 ALA HA H 57 4.230 4.230 4.218 0.012 25793 320 1 1 . 1 1 57 57 ALA C C 57 176.346 176.346 179.547 -3.201 25793 321 1 1 . 1 1 57 57 ALA CA C 57 52.650 52.650 55.047 -2.397 25793 322 1 1 . 1 1 57 57 ALA CB C 57 17.400 17.400 18.189 -0.788 25793 323 1 1 . 1 1 57 57 ALA H H 57 8.121 8.121 8.367 -0.246 25793 324 1 1 . 1 1 58 58 THR N N 58 115.752 115.752 113.516 2.236 25793 325 1 1 . 1 1 58 58 THR HA H 58 3.632 3.632 4.112 -0.480 25793 326 1 1 . 1 1 58 58 THR C C 58 172.862 172.862 176.346 -3.484 25793 327 1 1 . 1 1 58 58 THR CA C 58 65.100 65.100 66.952 -1.852 25793 328 1 1 . 1 1 58 58 THR CB C 58 66.100 66.100 68.923 -2.823 25793 329 1 1 . 1 1 58 58 THR H H 58 8.381 8.381 8.073 0.308 25793 330 1 1 . 1 1 59 59 ARG N N 59 120.537 120.537 120.108 0.429 25793 331 1 1 . 1 1 59 59 ARG HA H 59 3.911 3.911 4.342 -0.431 25793 332 1 1 . 1 1 59 59 ARG C C 59 176.099 176.099 177.615 -1.516 25793 333 1 1 . 1 1 59 59 ARG CA C 59 56.616 56.616 58.913 -2.297 25793 334 1 1 . 1 1 59 59 ARG CB C 59 27.022 27.022 30.319 -3.297 25793 335 1 1 . 1 1 59 59 ARG H H 59 7.245 7.245 7.257 -0.012 25793 336 1 1 . 1 1 60 60 ALA N N 60 121.996 121.996 120.773 1.223 25793 337 1 1 . 1 1 60 60 ALA HA H 60 4.120 4.120 4.506 -0.386 25793 338 1 1 . 1 1 60 60 ALA C C 60 178.745 178.745 179.364 -0.619 25793 339 1 1 . 1 1 60 60 ALA CA C 60 52.000 52.000 53.363 -1.363 25793 340 1 1 . 1 1 60 60 ALA CB C 60 15.824 15.824 18.401 -2.577 25793 341 1 1 . 1 1 60 60 ALA H H 60 7.489 7.489 7.663 -0.174 25793 342 1 1 . 1 1 61 61 GLY N N 61 108.024 108.024 107.181 0.843 25793 343 1 1 . 1 1 61 61 GLY C C 61 171.515 171.515 175.236 -3.721 25793 344 1 1 . 1 1 61 61 GLY CA C 61 43.797 43.797 46.555 -2.758 25793 345 1 1 . 1 1 61 61 GLY H H 61 8.721 8.721 7.868 0.853 25793 346 1 1 . 1 1 62 62 LYS N N 62 123.393 123.393 121.376 2.017 25793 347 1 1 . 1 1 62 62 LYS HA H 62 1.780 1.780 2.617 -0.837 25793 348 1 1 . 1 1 62 62 LYS C C 62 174.612 174.612 178.331 -3.719 25793 349 1 1 . 1 1 62 62 LYS CA C 62 56.683 56.683 59.028 -2.345 25793 350 1 1 . 1 1 62 62 LYS CB C 62 29.920 29.920 31.953 -2.033 25793 351 1 1 . 1 1 62 62 LYS H H 62 7.683 7.683 7.376 0.307 25793 352 1 1 . 1 1 63 63 GLN N N 63 114.582 114.582 116.843 -2.261 25793 353 1 1 . 1 1 63 63 GLN HA H 63 3.920 3.920 3.982 -0.062 25793 354 1 1 . 1 1 63 63 GLN C C 63 176.294 176.294 178.495 -2.201 25793 355 1 1 . 1 1 63 63 GLN CA C 63 55.604 55.604 58.317 -2.713 25793 356 1 1 . 1 1 63 63 GLN CB C 63 25.557 25.557 28.721 -3.163 25793 357 1 1 . 1 1 63 63 GLN H H 63 6.637 6.637 7.506 -0.869 25793 358 1 1 . 1 1 64 64 ILE N N 64 119.051 119.051 116.886 2.165 25793 359 1 1 . 1 1 64 64 ILE HA H 64 3.571 3.571 3.908 -0.337 25793 360 1 1 . 1 1 64 64 ILE C C 64 175.402 175.402 176.876 -1.474 25793 361 1 1 . 1 1 64 64 ILE CA C 64 62.529 62.529 62.926 -0.397 25793 362 1 1 . 1 1 64 64 ILE CB C 64 36.198 36.198 38.516 -2.318 25793 363 1 1 . 1 1 64 64 ILE H H 64 7.092 7.092 7.487 -0.395 25793 364 1 1 . 1 1 65 65 VAL N N 65 118.800 118.800 119.676 -0.876 25793 365 1 1 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.774 -0.388 25793 366 1 1 . 1 1 65 65 VAL C C 65 174.546 174.546 177.048 -2.502 25793 367 1 1 . 1 1 65 65 VAL CA C 65 64.500 64.500 65.204 -0.704 25793 368 1 1 . 1 1 65 65 VAL CB C 65 28.300 28.300 32.286 -3.986 25793 369 1 1 . 1 1 65 65 VAL H H 65 8.103 8.103 7.077 1.026 25793 370 1 1 . 1 1 66 66 GLU N N 66 118.966 118.966 120.181 -1.215 25793 371 1 1 . 1 1 66 66 GLU HA H 66 3.810 3.810 3.936 -0.126 25793 372 1 1 . 1 1 66 66 GLU C C 66 176.292 176.292 179.310 -3.018 25793 373 1 1 . 1 1 66 66 GLU CA C 66 57.618 57.618 59.867 -2.249 25793 374 1 1 . 1 1 66 66 GLU CB C 66 26.391 26.391 29.485 -3.094 25793 375 1 1 . 1 1 66 66 GLU H H 66 8.654 8.654 7.661 0.993 25793 376 1 1 . 1 1 67 67 ARG N N 67 118.499 118.499 117.333 1.166 25793 377 1 1 . 1 1 67 67 ARG HA H 67 3.990 3.990 4.034 -0.044 25793 378 1 1 . 1 1 67 67 ARG C C 67 176.039 176.039 179.071 -3.032 25793 379 1 1 . 1 1 67 67 ARG CA C 67 56.996 56.996 58.974 -1.978 25793 380 1 1 . 1 1 67 67 ARG CB C 67 26.783 26.783 29.915 -3.132 25793 381 1 1 . 1 1 67 67 ARG H H 67 7.270 7.270 8.064 -0.794 25793 382 1 1 . 1 1 68 68 ILE N N 68 120.031 120.031 114.891 5.140 25793 383 1 1 . 1 1 68 68 ILE HA H 68 3.721 3.721 4.073 -0.352 25793 384 1 1 . 1 1 68 68 ILE C C 68 176.061 176.061 176.873 -0.812 25793 385 1 1 . 1 1 68 68 ILE CA C 68 61.970 61.970 63.933 -1.963 25793 386 1 1 . 1 1 68 68 ILE CB C 68 35.254 35.254 37.477 -2.223 25793 387 1 1 . 1 1 68 68 ILE H H 68 7.569 7.569 7.910 -0.341 25793 388 1 1 . 1 1 69 69 LEU N N 69 118.859 118.859 120.030 -1.171 25793 389 1 1 . 1 1 69 69 LEU HA H 69 4.127 4.127 4.530 -0.403 25793 390 1 1 . 1 1 69 69 LEU C C 69 176.859 176.859 177.973 -1.114 25793 391 1 1 . 1 1 69 69 LEU CA C 69 54.525 54.525 56.760 -2.235 25793 392 1 1 . 1 1 69 69 LEU CB C 69 38.150 38.150 42.586 -4.436 25793 393 1 1 . 1 1 69 69 LEU H H 69 8.305 8.305 7.387 0.918 25793 394 1 1 . 1 1 70 70 LYS N N 70 119.685 119.685 117.323 2.362 25793 395 1 1 . 1 1 70 70 LYS HA H 70 4.098 4.098 4.227 -0.129 25793 396 1 1 . 1 1 70 70 LYS C C 70 175.484 175.484 178.147 -2.663 25793 397 1 1 . 1 1 70 70 LYS CA C 70 55.580 55.580 58.269 -2.689 25793 398 1 1 . 1 1 70 70 LYS CB C 70 29.700 29.700 32.391 -2.691 25793 399 1 1 . 1 1 70 70 LYS H H 70 7.748 7.748 7.427 0.321 25793 400 1 1 . 1 1 71 71 GLU N N 71 118.055 118.055 119.280 -1.225 25793 401 1 1 . 1 1 71 71 GLU HA H 71 4.175 4.175 4.319 -0.144 25793 402 1 1 . 1 1 71 71 GLU C C 71 174.094 174.094 177.607 -3.513 25793 403 1 1 . 1 1 71 71 GLU CA C 71 54.411 54.411 57.967 -3.556 25793 404 1 1 . 1 1 71 71 GLU CB C 71 27.038 27.038 29.973 -2.935 25793 405 1 1 . 1 1 71 71 GLU H H 71 7.644 7.644 7.953 -0.309 25793 406 1 1 . 1 1 72 72 GLU N N 72 118.922 118.922 118.390 0.532 25793 407 1 1 . 1 1 72 72 GLU HA H 72 4.164 4.164 4.079 0.085 25793 408 1 1 . 1 1 72 72 GLU C C 72 172.677 172.677 176.676 -3.999 25793 409 1 1 . 1 1 72 72 GLU CA C 72 53.047 53.047 58.433 -5.386 25793 410 1 1 . 1 1 72 72 GLU CB C 72 25.297 25.297 29.896 -4.599 25793 411 1 1 . 1 1 72 72 GLU H H 72 7.603 7.603 7.899 -0.296 25793 412 1 2 . 1 1 2 2 ASP HA H 2 4.703 4.703 5.016 -0.313 25793 413 1 2 . 1 1 2 2 ASP C C 2 173.678 173.678 176.518 -2.840 25793 414 1 2 . 1 1 2 2 ASP CA C 2 51.357 51.357 54.416 -3.059 25793 415 1 2 . 1 1 2 2 ASP CB C 2 39.114 39.114 41.945 -2.831 25793 416 1 2 . 1 1 3 3 SER N N 3 118.993 118.993 119.021 -0.028 25793 417 1 2 . 1 1 3 3 SER HA H 3 4.237 4.237 3.913 0.324 25793 418 1 2 . 1 1 3 3 SER C C 3 173.240 173.240 175.731 -2.491 25793 419 1 2 . 1 1 3 3 SER CA C 3 57.300 57.300 61.752 -4.452 25793 420 1 2 . 1 1 3 3 SER CB C 3 60.653 60.653 63.459 -2.806 25793 421 1 2 . 1 1 3 3 SER H H 3 8.745 8.745 8.961 -0.216 25793 422 1 2 . 1 1 4 4 ASN N N 4 122.369 122.369 118.927 3.442 25793 423 1 2 . 1 1 4 4 ASN HA H 4 4.576 4.576 4.754 -0.178 25793 424 1 2 . 1 1 4 4 ASN C C 4 176.101 176.101 177.159 -1.058 25793 425 1 2 . 1 1 4 4 ASN CA C 4 52.488 52.488 55.333 -2.845 25793 426 1 2 . 1 1 4 4 ASN CB C 4 33.507 33.507 38.729 -5.222 25793 427 1 2 . 1 1 4 4 ASN H H 4 8.865 8.865 8.181 0.684 25793 428 1 2 . 1 1 5 5 THR N N 5 122.349 122.349 115.301 7.048 25793 429 1 2 . 1 1 5 5 THR HA H 5 4.330 4.330 4.321 0.009 25793 430 1 2 . 1 1 5 5 THR C C 5 174.576 174.576 175.171 -0.595 25793 431 1 2 . 1 1 5 5 THR CA C 5 63.330 63.330 64.779 -1.449 25793 432 1 2 . 1 1 5 5 THR CB C 5 66.155 66.155 69.302 -3.147 25793 433 1 2 . 1 1 5 5 THR H H 5 8.200 8.200 8.018 0.182 25793 434 1 2 . 1 1 6 6 VAL N N 6 124.255 124.255 119.236 5.019 25793 435 1 2 . 1 1 6 6 VAL HA H 6 3.480 3.480 4.211 -0.731 25793 436 1 2 . 1 1 6 6 VAL C C 6 174.988 174.988 177.268 -2.280 25793 437 1 2 . 1 1 6 6 VAL CA C 6 64.919 64.919 63.842 1.077 25793 438 1 2 . 1 1 6 6 VAL CB C 6 28.699 28.699 32.046 -3.347 25793 439 1 2 . 1 1 6 6 VAL H H 6 7.590 7.590 7.227 0.363 25793 440 1 2 . 1 1 7 7 SER N N 7 116.402 116.402 117.084 -0.682 25793 441 1 2 . 1 1 7 7 SER HA H 7 4.459 4.459 4.280 0.179 25793 442 1 2 . 1 1 7 7 SER C C 7 173.494 173.494 176.913 -3.419 25793 443 1 2 . 1 1 7 7 SER CA C 7 59.174 59.174 62.569 -3.395 25793 444 1 2 . 1 1 7 7 SER CB C 7 60.020 60.020 62.805 -2.785 25793 445 1 2 . 1 1 7 7 SER H H 7 8.721 8.721 8.183 0.538 25793 446 1 2 . 1 1 8 8 SER N N 8 116.463 116.463 116.276 0.187 25793 447 1 2 . 1 1 8 8 SER HA H 8 3.745 3.745 4.376 -0.631 25793 448 1 2 . 1 1 8 8 SER C C 8 171.540 171.540 176.089 -4.549 25793 449 1 2 . 1 1 8 8 SER CA C 8 60.322 60.322 61.205 -0.883 25793 450 1 2 . 1 1 8 8 SER CB C 8 60.785 60.785 63.230 -2.445 25793 451 1 2 . 1 1 8 8 SER H H 8 8.213 8.213 7.866 0.347 25793 452 1 2 . 1 1 9 9 PHE N N 9 121.530 121.530 123.189 -1.659 25793 453 1 2 . 1 1 9 9 PHE HA H 9 4.405 4.405 4.505 -0.100 25793 454 1 2 . 1 1 9 9 PHE C C 9 174.481 174.481 176.690 -2.209 25793 455 1 2 . 1 1 9 9 PHE CA C 9 58.488 58.488 60.284 -1.796 25793 456 1 2 . 1 1 9 9 PHE CB C 9 36.397 36.397 39.552 -3.155 25793 457 1 2 . 1 1 9 9 PHE H H 9 7.387 7.387 7.318 0.069 25793 458 1 2 . 1 1 10 10 GLN N N 10 119.460 119.460 119.086 0.374 25793 459 1 2 . 1 1 10 10 GLN HA H 10 3.516 3.516 3.837 -0.321 25793 460 1 2 . 1 1 10 10 GLN C C 10 176.083 176.083 178.733 -2.650 25793 461 1 2 . 1 1 10 10 GLN CA C 10 56.595 56.595 59.120 -2.525 25793 462 1 2 . 1 1 10 10 GLN CB C 10 23.672 23.672 28.791 -5.119 25793 463 1 2 . 1 1 10 10 GLN H H 10 8.335 8.335 8.095 0.240 25793 464 1 2 . 1 1 11 11 VAL N N 11 119.513 119.513 120.012 -0.499 25793 465 1 2 . 1 1 11 11 VAL HA H 11 3.300 3.300 3.773 -0.473 25793 466 1 2 . 1 1 11 11 VAL C C 11 174.535 174.535 177.173 -2.638 25793 467 1 2 . 1 1 11 11 VAL CA C 11 65.180 65.180 66.753 -1.573 25793 468 1 2 . 1 1 11 11 VAL CB C 11 28.300 28.300 31.509 -3.209 25793 469 1 2 . 1 1 11 11 VAL H H 11 8.127 8.127 8.129 -0.002 25793 470 1 2 . 1 1 12 12 ASP N N 12 120.959 120.959 120.923 0.036 25793 471 1 2 . 1 1 12 12 ASP HA H 12 4.414 4.414 4.480 -0.066 25793 472 1 2 . 1 1 12 12 ASP C C 12 177.940 177.940 178.628 -0.688 25793 473 1 2 . 1 1 12 12 ASP CA C 12 55.349 55.349 57.769 -2.420 25793 474 1 2 . 1 1 12 12 ASP CB C 12 37.275 37.275 40.672 -3.397 25793 475 1 2 . 1 1 12 12 ASP H H 12 8.116 8.116 7.766 0.350 25793 476 1 2 . 1 1 13 13 CYS N N 13 119.479 119.479 118.109 1.370 25793 477 1 2 . 1 1 13 13 CYS HA H 13 4.015 4.015 4.092 -0.077 25793 478 1 2 . 1 1 13 13 CYS C C 13 175.349 175.349 176.496 -1.147 25793 479 1 2 . 1 1 13 13 CYS CA C 13 62.384 62.384 63.482 -1.098 25793 480 1 2 . 1 1 13 13 CYS CB C 13 23.610 23.610 27.125 -3.515 25793 481 1 2 . 1 1 13 13 CYS H H 13 8.448 8.448 7.923 0.525 25793 482 1 2 . 1 1 14 14 PHE N N 14 121.085 121.085 121.752 -0.667 25793 483 1 2 . 1 1 14 14 PHE HA H 14 4.460 4.460 4.310 0.150 25793 484 1 2 . 1 1 14 14 PHE C C 14 174.143 174.143 177.036 -2.893 25793 485 1 2 . 1 1 14 14 PHE CA C 14 59.902 59.902 60.963 -1.061 25793 486 1 2 . 1 1 14 14 PHE CB C 14 35.907 35.907 38.948 -3.041 25793 487 1 2 . 1 1 14 14 PHE H H 14 8.244 8.244 7.581 0.663 25793 488 1 2 . 1 1 15 15 LEU N N 15 118.069 118.069 118.545 -0.476 25793 489 1 2 . 1 1 15 15 LEU HA H 15 3.735 3.735 3.775 -0.040 25793 490 1 2 . 1 1 15 15 LEU C C 15 176.261 176.261 178.764 -2.503 25793 491 1 2 . 1 1 15 15 LEU CA C 15 55.494 55.494 58.347 -2.853 25793 492 1 2 . 1 1 15 15 LEU CB C 15 36.676 36.676 41.578 -4.902 25793 493 1 2 . 1 1 15 15 LEU H H 15 9.072 9.072 8.296 0.776 25793 494 1 2 . 1 1 16 16 TRP N N 16 120.587 120.587 119.799 0.788 25793 495 1 2 . 1 1 16 16 TRP HA H 16 3.660 3.660 4.377 -0.717 25793 496 1 2 . 1 1 16 16 TRP C C 16 173.925 173.925 177.822 -3.897 25793 497 1 2 . 1 1 16 16 TRP CA C 16 61.127 61.127 61.575 -0.448 25793 498 1 2 . 1 1 16 16 TRP CB C 16 26.247 26.247 29.766 -3.519 25793 499 1 2 . 1 1 16 16 TRP H H 16 8.142 8.142 7.962 0.180 25793 500 1 2 . 1 1 17 17 HIS N N 17 117.927 117.927 118.816 -0.889 25793 501 1 2 . 1 1 17 17 HIS HA H 17 4.022 4.022 4.471 -0.449 25793 502 1 2 . 1 1 17 17 HIS C C 17 173.650 173.650 176.660 -3.010 25793 503 1 2 . 1 1 17 17 HIS CA C 17 57.350 57.350 59.432 -2.082 25793 504 1 2 . 1 1 17 17 HIS CB C 17 25.231 25.231 29.826 -4.595 25793 505 1 2 . 1 1 17 17 HIS H H 17 7.697 7.697 7.655 0.042 25793 506 1 2 . 1 1 18 18 VAL N N 18 118.787 118.787 119.135 -0.348 25793 507 1 2 . 1 1 18 18 VAL HA H 18 2.949 2.949 3.522 -0.573 25793 508 1 2 . 1 1 18 18 VAL C C 18 174.321 174.321 177.627 -3.306 25793 509 1 2 . 1 1 18 18 VAL CA C 18 64.400 64.400 65.786 -1.386 25793 510 1 2 . 1 1 18 18 VAL CB C 18 28.400 28.400 31.335 -2.935 25793 511 1 2 . 1 1 18 18 VAL H H 18 7.651 7.651 7.665 -0.014 25793 512 1 2 . 1 1 19 19 ARG N N 19 118.108 118.108 118.624 -0.516 25793 513 1 2 . 1 1 19 19 ARG HA H 19 3.661 3.661 4.053 -0.392 25793 514 1 2 . 1 1 19 19 ARG C C 19 174.575 174.575 178.316 -3.741 25793 515 1 2 . 1 1 19 19 ARG CA C 19 57.558 57.558 59.144 -1.586 25793 516 1 2 . 1 1 19 19 ARG CB C 19 28.140 28.140 29.787 -1.647 25793 517 1 2 . 1 1 19 19 ARG H H 19 7.602 7.602 7.549 0.053 25793 518 1 2 . 1 1 20 20 LYS N N 20 121.889 121.889 119.342 2.547 25793 519 1 2 . 1 1 20 20 LYS HA H 20 3.530 3.530 4.085 -0.555 25793 520 1 2 . 1 1 20 20 LYS C C 20 174.970 174.970 178.800 -3.830 25793 521 1 2 . 1 1 20 20 LYS CA C 20 55.292 55.292 58.016 -2.724 25793 522 1 2 . 1 1 20 20 LYS CB C 20 28.420 28.420 32.288 -3.868 25793 523 1 2 . 1 1 20 20 LYS H H 20 8.304 8.304 7.740 0.564 25793 524 1 2 . 1 1 21 21 ARG N N 21 118.825 118.825 118.285 0.540 25793 525 1 2 . 1 1 21 21 ARG HA H 21 3.915 3.915 4.111 -0.196 25793 526 1 2 . 1 1 21 21 ARG C C 21 176.513 176.513 177.314 -0.801 25793 527 1 2 . 1 1 21 21 ARG CA C 21 55.003 55.003 58.543 -3.540 25793 528 1 2 . 1 1 21 21 ARG CB C 21 26.002 26.002 30.192 -4.191 25793 529 1 2 . 1 1 21 21 ARG H H 21 7.772 7.772 7.550 0.222 25793 530 1 2 . 1 1 22 22 PHE N N 22 120.501 120.501 119.326 1.175 25793 531 1 2 . 1 1 22 22 PHE HA H 22 3.899 3.899 4.331 -0.432 25793 532 1 2 . 1 1 22 22 PHE C C 22 173.880 173.880 176.017 -2.137 25793 533 1 2 . 1 1 22 22 PHE CA C 22 58.542 58.542 60.220 -1.678 25793 534 1 2 . 1 1 22 22 PHE CB C 22 35.961 35.961 39.566 -3.605 25793 535 1 2 . 1 1 22 22 PHE H H 22 7.799 7.799 7.527 0.272 25793 536 1 2 . 1 1 23 23 ALA N N 23 123.040 123.040 121.689 1.351 25793 537 1 2 . 1 1 23 23 ALA HA H 23 3.720 3.720 4.067 -0.347 25793 538 1 2 . 1 1 23 23 ALA C C 23 179.545 179.545 179.905 -0.360 25793 539 1 2 . 1 1 23 23 ALA CA C 23 51.750 51.750 54.860 -3.110 25793 540 1 2 . 1 1 23 23 ALA CB C 23 15.970 15.970 18.359 -2.389 25793 541 1 2 . 1 1 23 23 ALA H H 23 8.627 8.627 8.064 0.563 25793 542 1 2 . 1 1 24 24 ASP N N 24 121.514 121.514 117.634 3.880 25793 543 1 2 . 1 1 24 24 ASP HA H 24 4.323 4.323 4.521 -0.198 25793 544 1 2 . 1 1 24 24 ASP C C 24 175.020 175.020 177.213 -2.193 25793 545 1 2 . 1 1 24 24 ASP CA C 24 53.645 53.645 56.328 -2.683 25793 546 1 2 . 1 1 24 24 ASP CB C 24 37.158 37.158 40.798 -3.640 25793 547 1 2 . 1 1 24 24 ASP H H 24 8.846 8.846 7.910 0.936 25793 548 1 2 . 1 1 25 25 GLN N N 25 118.127 118.127 117.364 0.763 25793 549 1 2 . 1 1 25 25 GLN HA H 25 4.159 4.159 4.329 -0.170 25793 550 1 2 . 1 1 25 25 GLN C C 25 171.680 171.680 174.810 -3.130 25793 551 1 2 . 1 1 25 25 GLN CA C 25 53.101 53.101 55.515 -2.414 25793 552 1 2 . 1 1 25 25 GLN CB C 25 25.351 25.351 29.975 -4.624 25793 553 1 2 . 1 1 25 25 GLN H H 25 7.192 7.192 7.464 -0.272 25793 554 1 2 . 1 1 26 26 GLU N N 26 112.361 112.361 117.648 -5.287 25793 555 1 2 . 1 1 26 26 GLU HA H 26 3.906 3.906 3.873 0.033 25793 556 1 2 . 1 1 26 26 GLU C C 26 173.060 173.060 174.805 -1.745 25793 557 1 2 . 1 1 26 26 GLU CA C 26 54.352 54.352 57.064 -2.712 25793 558 1 2 . 1 1 26 26 GLU CB C 26 22.759 22.759 27.675 -4.916 25793 559 1 2 . 1 1 26 26 GLU H H 26 7.975 7.975 7.725 0.250 25793 560 1 2 . 1 1 27 27 LEU N N 27 115.873 115.873 121.370 -5.497 25793 561 1 2 . 1 1 27 27 LEU HA H 27 4.043 4.043 4.180 -0.137 25793 562 1 2 . 1 1 27 27 LEU C C 27 172.610 172.610 175.696 -3.086 25793 563 1 2 . 1 1 27 27 LEU CA C 27 50.921 50.921 53.975 -3.054 25793 564 1 2 . 1 1 27 27 LEU CB C 27 40.359 40.359 42.326 -1.967 25793 565 1 2 . 1 1 27 27 LEU H H 27 5.781 5.781 7.394 -1.613 25793 566 1 2 . 1 1 28 28 GLY N N 28 103.011 103.011 111.607 -8.596 25793 567 1 2 . 1 1 28 28 GLY C C 28 172.297 172.297 173.238 -0.941 25793 568 1 2 . 1 1 28 28 GLY CA C 28 41.348 41.348 43.964 -2.616 25793 569 1 2 . 1 1 28 28 GLY H H 28 7.785 7.785 8.129 -0.344 25793 570 1 2 . 1 1 29 29 ASP N N 29 122.671 122.671 119.541 3.130 25793 571 1 2 . 1 1 29 29 ASP HA H 29 4.720 4.720 4.780 -0.060 25793 572 1 2 . 1 1 29 29 ASP C C 29 172.137 172.137 177.893 -5.756 25793 573 1 2 . 1 1 29 29 ASP CA C 29 48.748 48.748 53.400 -4.652 25793 574 1 2 . 1 1 29 29 ASP CB C 29 38.519 38.519 41.717 -3.198 25793 575 1 2 . 1 1 29 29 ASP H H 29 7.515 7.515 8.282 -0.767 25793 576 1 2 . 1 1 30 30 ALA N N 30 119.757 119.757 123.279 -3.522 25793 577 1 2 . 1 1 30 30 ALA HA H 30 4.240 4.240 4.243 -0.003 25793 578 1 2 . 1 1 30 30 ALA CA C 30 54.400 54.400 55.184 -0.784 25793 579 1 2 . 1 1 30 30 ALA CB C 30 12.540 12.540 16.896 -4.356 25793 580 1 2 . 1 1 30 30 ALA H H 30 8.492 8.492 8.581 -0.089 25793 581 1 2 . 1 1 31 31 PRO HA H 31 4.361 4.361 4.523 -0.162 25793 582 1 2 . 1 1 31 31 PRO C C 31 175.699 175.699 177.992 -2.293 25793 583 1 2 . 1 1 31 31 PRO CA C 31 63.220 63.220 64.502 -1.282 25793 584 1 2 . 1 1 31 31 PRO CB C 31 28.336 28.336 31.321 -2.985 25793 585 1 2 . 1 1 32 32 PHE N N 32 119.824 119.824 118.378 1.446 25793 586 1 2 . 1 1 32 32 PHE HA H 32 3.885 3.885 4.261 -0.376 25793 587 1 2 . 1 1 32 32 PHE C C 32 176.949 176.949 177.259 -0.310 25793 588 1 2 . 1 1 32 32 PHE CA C 32 59.685 59.685 61.868 -2.183 25793 589 1 2 . 1 1 32 32 PHE CB C 32 36.778 36.778 39.295 -2.517 25793 590 1 2 . 1 1 32 32 PHE H H 32 7.949 7.949 7.688 0.261 25793 591 1 2 . 1 1 33 33 LEU N N 33 121.755 121.755 119.377 2.378 25793 592 1 2 . 1 1 33 33 LEU HA H 33 4.063 4.063 4.022 0.041 25793 593 1 2 . 1 1 33 33 LEU C C 33 176.490 176.490 178.442 -1.952 25793 594 1 2 . 1 1 33 33 LEU CA C 33 54.968 54.968 58.206 -3.238 25793 595 1 2 . 1 1 33 33 LEU CB C 33 38.335 38.335 41.927 -3.592 25793 596 1 2 . 1 1 33 33 LEU H H 33 8.386 8.386 7.773 0.613 25793 597 1 2 . 1 1 34 34 ASP N N 34 121.771 121.771 119.999 1.772 25793 598 1 2 . 1 1 34 34 ASP HA H 34 4.399 4.399 4.313 0.086 25793 599 1 2 . 1 1 34 34 ASP C C 34 176.196 176.196 178.807 -2.611 25793 600 1 2 . 1 1 34 34 ASP CA C 34 54.871 54.871 58.055 -3.184 25793 601 1 2 . 1 1 34 34 ASP CB C 34 38.471 38.471 40.745 -2.274 25793 602 1 2 . 1 1 34 34 ASP H H 34 8.252 8.252 7.530 0.722 25793 603 1 2 . 1 1 35 35 ARG N N 35 119.119 119.119 119.100 0.019 25793 604 1 2 . 1 1 35 35 ARG HA H 35 3.818 3.818 3.971 -0.153 25793 605 1 2 . 1 1 35 35 ARG C C 35 175.752 175.752 178.828 -3.076 25793 606 1 2 . 1 1 35 35 ARG CA C 35 57.302 57.302 59.159 -1.857 25793 607 1 2 . 1 1 35 35 ARG CB C 35 27.486 27.486 30.181 -2.695 25793 608 1 2 . 1 1 35 35 ARG H H 35 8.197 8.197 7.893 0.304 25793 609 1 2 . 1 1 36 36 LEU N N 36 120.940 120.940 119.816 1.124 25793 610 1 2 . 1 1 36 36 LEU HA H 36 3.872 3.872 4.076 -0.204 25793 611 1 2 . 1 1 36 36 LEU C C 36 177.676 177.676 178.928 -1.252 25793 612 1 2 . 1 1 36 36 LEU CA C 36 55.818 55.818 58.148 -2.330 25793 613 1 2 . 1 1 36 36 LEU CB C 36 40.156 40.156 41.978 -1.822 25793 614 1 2 . 1 1 36 36 LEU H H 36 7.735 7.735 7.803 -0.068 25793 615 1 2 . 1 1 37 37 ARG N N 37 120.596 120.596 118.256 2.340 25793 616 1 2 . 1 1 37 37 ARG HA H 37 4.241 4.241 3.995 0.246 25793 617 1 2 . 1 1 37 37 ARG C C 37 174.571 174.571 178.816 -4.245 25793 618 1 2 . 1 1 37 37 ARG CA C 37 56.891 56.891 59.783 -2.892 25793 619 1 2 . 1 1 37 37 ARG CB C 37 27.936 27.936 29.922 -1.986 25793 620 1 2 . 1 1 37 37 ARG H H 37 8.006 8.006 7.670 0.336 25793 621 1 2 . 1 1 38 38 ARG N N 38 121.436 121.436 118.550 2.886 25793 622 1 2 . 1 1 38 38 ARG HA H 38 3.987 3.987 4.043 -0.056 25793 623 1 2 . 1 1 38 38 ARG C C 38 177.290 177.290 178.443 -1.153 25793 624 1 2 . 1 1 38 38 ARG CA C 38 57.131 57.131 59.011 -1.880 25793 625 1 2 . 1 1 38 38 ARG CB C 38 27.450 27.450 30.220 -2.769 25793 626 1 2 . 1 1 38 38 ARG H H 38 8.307 8.307 7.700 0.607 25793 627 1 2 . 1 1 39 39 ASP N N 39 120.034 120.034 117.939 2.095 25793 628 1 2 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.622 -0.093 25793 629 1 2 . 1 1 39 39 ASP C C 39 174.864 174.864 177.872 -3.008 25793 630 1 2 . 1 1 39 39 ASP CA C 39 53.700 53.700 57.016 -3.316 25793 631 1 2 . 1 1 39 39 ASP CB C 39 37.158 37.158 41.261 -4.103 25793 632 1 2 . 1 1 39 39 ASP H H 39 8.737 8.737 7.816 0.921 25793 633 1 2 . 1 1 40 40 GLN N N 40 121.853 121.853 120.392 1.461 25793 634 1 2 . 1 1 40 40 GLN HA H 40 2.999 2.999 3.330 -0.331 25793 635 1 2 . 1 1 40 40 GLN C C 40 175.010 175.010 177.745 -2.735 25793 636 1 2 . 1 1 40 40 GLN CA C 40 56.747 56.747 58.990 -2.243 25793 637 1 2 . 1 1 40 40 GLN CB C 40 25.196 25.196 28.578 -3.382 25793 638 1 2 . 1 1 40 40 GLN H H 40 7.954 7.954 8.042 -0.088 25793 639 1 2 . 1 1 41 41 LYS N N 41 117.346 117.346 118.655 -1.309 25793 640 1 2 . 1 1 41 41 LYS HA H 41 3.914 3.914 4.028 -0.114 25793 641 1 2 . 1 1 41 41 LYS C C 41 177.117 177.117 179.337 -2.220 25793 642 1 2 . 1 1 41 41 LYS CA C 41 56.689 56.689 59.184 -2.495 25793 643 1 2 . 1 1 41 41 LYS CB C 41 29.446 29.446 31.992 -2.546 25793 644 1 2 . 1 1 41 41 LYS H H 41 7.014 7.014 7.536 -0.522 25793 645 1 2 . 1 1 42 42 SER N N 42 115.844 115.844 116.220 -0.376 25793 646 1 2 . 1 1 42 42 SER HA H 42 4.262 4.262 4.299 -0.037 25793 647 1 2 . 1 1 42 42 SER C C 42 175.262 175.262 176.299 -1.037 25793 648 1 2 . 1 1 42 42 SER CA C 42 58.256 58.256 60.857 -2.601 25793 649 1 2 . 1 1 42 42 SER CB C 42 59.683 59.683 62.843 -3.159 25793 650 1 2 . 1 1 42 42 SER H H 42 7.875 7.875 7.551 0.324 25793 651 1 2 . 1 1 43 43 LEU N N 43 123.254 123.254 122.318 0.936 25793 652 1 2 . 1 1 43 43 LEU HA H 43 4.082 4.082 4.097 -0.015 25793 653 1 2 . 1 1 43 43 LEU C C 43 176.505 176.505 179.161 -2.656 25793 654 1 2 . 1 1 43 43 LEU CA C 43 55.621 55.621 57.518 -1.897 25793 655 1 2 . 1 1 43 43 LEU CB C 43 38.460 38.460 41.193 -2.732 25793 656 1 2 . 1 1 43 43 LEU H H 43 8.736 8.736 8.297 0.439 25793 657 1 2 . 1 1 44 44 ARG N N 44 118.877 118.877 117.707 1.170 25793 658 1 2 . 1 1 44 44 ARG HA H 44 4.011 4.011 4.043 -0.032 25793 659 1 2 . 1 1 44 44 ARG C C 44 177.379 177.379 179.054 -1.675 25793 660 1 2 . 1 1 44 44 ARG CA C 44 56.911 56.911 59.468 -2.557 25793 661 1 2 . 1 1 44 44 ARG CB C 44 26.602 26.602 30.087 -3.486 25793 662 1 2 . 1 1 44 44 ARG H H 44 7.686 7.686 7.808 -0.122 25793 663 1 2 . 1 1 45 45 GLY N N 45 107.372 107.372 106.149 1.223 25793 664 1 2 . 1 1 45 45 GLY C C 45 173.935 173.935 175.764 -1.829 25793 665 1 2 . 1 1 45 45 GLY CA C 45 44.395 44.395 46.330 -1.935 25793 666 1 2 . 1 1 45 45 GLY H H 45 7.762 7.762 7.946 -0.184 25793 667 1 2 . 1 1 46 46 ARG N N 46 123.780 123.780 121.904 1.876 25793 668 1 2 . 1 1 46 46 ARG HA H 46 3.902 3.902 4.242 -0.340 25793 669 1 2 . 1 1 46 46 ARG C C 46 175.910 175.910 178.338 -2.428 25793 670 1 2 . 1 1 46 46 ARG CA C 46 56.375 56.375 58.316 -1.941 25793 671 1 2 . 1 1 46 46 ARG CB C 46 28.851 28.851 30.247 -1.396 25793 672 1 2 . 1 1 46 46 ARG H H 46 8.381 8.381 7.646 0.735 25793 673 1 2 . 1 1 47 47 GLY N N 47 107.330 107.330 107.008 0.322 25793 674 1 2 . 1 1 47 47 GLY C C 47 173.406 173.406 176.118 -2.712 25793 675 1 2 . 1 1 47 47 GLY CA C 47 45.429 45.429 46.751 -1.322 25793 676 1 2 . 1 1 47 47 GLY H H 47 8.782 8.782 7.771 1.011 25793 677 1 2 . 1 1 48 48 SER N N 48 116.214 116.214 117.859 -1.645 25793 678 1 2 . 1 1 48 48 SER HA H 48 4.200 4.200 4.143 0.057 25793 679 1 2 . 1 1 48 48 SER C C 48 174.824 174.824 176.863 -2.039 25793 680 1 2 . 1 1 48 48 SER CA C 48 58.531 58.531 61.618 -3.087 25793 681 1 2 . 1 1 48 48 SER CB C 48 59.837 59.837 62.758 -2.921 25793 682 1 2 . 1 1 48 48 SER H H 48 7.737 7.737 7.697 0.040 25793 683 1 2 . 1 1 49 49 THR N N 49 118.158 118.158 118.236 -0.078 25793 684 1 2 . 1 1 49 49 THR HA H 49 3.885 3.885 3.970 -0.085 25793 685 1 2 . 1 1 49 49 THR C C 49 173.322 173.322 176.299 -2.977 25793 686 1 2 . 1 1 49 49 THR CA C 49 63.385 63.385 65.004 -1.619 25793 687 1 2 . 1 1 49 49 THR CB C 49 65.997 65.997 68.698 -2.701 25793 688 1 2 . 1 1 49 49 THR H H 49 7.784 7.784 7.452 0.332 25793 689 1 2 . 1 1 50 50 LEU N N 50 118.727 118.727 120.324 -1.597 25793 690 1 2 . 1 1 50 50 LEU HA H 50 4.050 4.050 4.268 -0.218 25793 691 1 2 . 1 1 50 50 LEU C C 50 174.153 174.153 177.923 -3.770 25793 692 1 2 . 1 1 50 50 LEU CA C 50 52.580 52.580 55.138 -2.558 25793 693 1 2 . 1 1 50 50 LEU CB C 50 39.994 39.994 42.230 -2.236 25793 694 1 2 . 1 1 50 50 LEU H H 50 7.734 7.734 7.665 0.069 25793 695 1 2 . 1 1 51 51 GLY N N 51 108.894 108.894 106.781 2.113 25793 696 1 2 . 1 1 51 51 GLY C C 51 171.597 171.597 174.342 -2.745 25793 697 1 2 . 1 1 51 51 GLY CA C 51 43.400 43.400 45.538 -2.139 25793 698 1 2 . 1 1 51 51 GLY H H 51 7.698 7.698 7.705 -0.007 25793 699 1 2 . 1 1 52 52 LEU N N 52 119.252 119.252 121.199 -1.947 25793 700 1 2 . 1 1 52 52 LEU HA H 52 4.638 4.638 4.441 0.197 25793 701 1 2 . 1 1 52 52 LEU C C 52 172.244 172.244 176.339 -4.095 25793 702 1 2 . 1 1 52 52 LEU CA C 52 50.261 50.261 54.144 -3.883 25793 703 1 2 . 1 1 52 52 LEU CB C 52 42.411 42.411 41.984 0.427 25793 704 1 2 . 1 1 52 52 LEU H H 52 7.661 7.661 7.641 0.020 25793 705 1 2 . 1 1 53 53 ASP N N 53 121.433 121.433 125.309 -3.876 25793 706 1 2 . 1 1 53 53 ASP HA H 53 4.658 4.658 4.650 0.008 25793 707 1 2 . 1 1 53 53 ASP C C 53 174.204 174.204 177.320 -3.116 25793 708 1 2 . 1 1 53 53 ASP CA C 53 50.435 50.435 55.199 -4.764 25793 709 1 2 . 1 1 53 53 ASP CB C 53 40.206 40.206 41.971 -1.765 25793 710 1 2 . 1 1 53 53 ASP H H 53 8.127 8.127 8.559 -0.432 25793 711 1 2 . 1 1 54 54 ILE N N 54 125.804 125.804 127.095 -1.291 25793 712 1 2 . 1 1 54 54 ILE HA H 54 3.797 3.797 3.679 0.118 25793 713 1 2 . 1 1 54 54 ILE C C 54 176.613 176.613 177.113 -0.500 25793 714 1 2 . 1 1 54 54 ILE CA C 54 62.133 62.133 64.764 -2.631 25793 715 1 2 . 1 1 54 54 ILE CB C 54 35.036 35.036 38.508 -3.472 25793 716 1 2 . 1 1 54 54 ILE H H 54 8.788 8.788 8.717 0.071 25793 717 1 2 . 1 1 55 55 GLU N N 55 125.797 125.797 118.973 6.824 25793 718 1 2 . 1 1 55 55 GLU HA H 55 4.009 4.009 3.946 0.063 25793 719 1 2 . 1 1 55 55 GLU C C 55 176.730 176.730 179.291 -2.561 25793 720 1 2 . 1 1 55 55 GLU CA C 55 57.998 57.998 59.880 -1.882 25793 721 1 2 . 1 1 55 55 GLU CB C 55 25.895 25.895 28.978 -3.083 25793 722 1 2 . 1 1 55 55 GLU H H 55 8.945 8.945 8.671 0.274 25793 723 1 2 . 1 1 56 56 THR N N 56 117.286 117.286 114.664 2.622 25793 724 1 2 . 1 1 56 56 THR HA H 56 3.817 3.817 4.035 -0.218 25793 725 1 2 . 1 1 56 56 THR C C 56 174.617 174.617 175.814 -1.197 25793 726 1 2 . 1 1 56 56 THR CA C 56 63.766 63.766 65.443 -1.677 25793 727 1 2 . 1 1 56 56 THR CB C 56 65.452 65.452 68.414 -2.962 25793 728 1 2 . 1 1 56 56 THR H H 56 8.240 8.240 8.153 0.087 25793 729 1 2 . 1 1 57 57 ALA N N 57 125.072 125.072 123.101 1.971 25793 730 1 2 . 1 1 57 57 ALA HA H 57 4.230 4.230 4.146 0.084 25793 731 1 2 . 1 1 57 57 ALA C C 57 176.346 176.346 179.163 -2.817 25793 732 1 2 . 1 1 57 57 ALA CA C 57 52.650 52.650 55.006 -2.356 25793 733 1 2 . 1 1 57 57 ALA CB C 57 17.400 17.400 18.508 -1.108 25793 734 1 2 . 1 1 57 57 ALA H H 57 8.121 8.121 8.147 -0.026 25793 735 1 2 . 1 1 58 58 THR N N 58 115.752 115.752 110.580 5.172 25793 736 1 2 . 1 1 58 58 THR HA H 58 3.632 3.632 4.134 -0.502 25793 737 1 2 . 1 1 58 58 THR C C 58 172.862 172.862 176.168 -3.306 25793 738 1 2 . 1 1 58 58 THR CA C 58 65.100 65.100 65.563 -0.463 25793 739 1 2 . 1 1 58 58 THR CB C 58 66.100 66.100 68.713 -2.614 25793 740 1 2 . 1 1 58 58 THR H H 58 8.381 8.381 8.503 -0.122 25793 741 1 2 . 1 1 59 59 ARG N N 59 120.537 120.537 121.110 -0.573 25793 742 1 2 . 1 1 59 59 ARG HA H 59 3.911 3.911 4.293 -0.382 25793 743 1 2 . 1 1 59 59 ARG C C 59 176.099 176.099 177.945 -1.846 25793 744 1 2 . 1 1 59 59 ARG CA C 59 56.616 56.616 58.821 -2.205 25793 745 1 2 . 1 1 59 59 ARG CB C 59 27.022 27.022 30.443 -3.421 25793 746 1 2 . 1 1 59 59 ARG H H 59 7.245 7.245 7.321 -0.076 25793 747 1 2 . 1 1 60 60 ALA N N 60 121.996 121.996 122.875 -0.879 25793 748 1 2 . 1 1 60 60 ALA HA H 60 4.120 4.120 4.200 -0.080 25793 749 1 2 . 1 1 60 60 ALA C C 60 178.745 178.745 179.435 -0.690 25793 750 1 2 . 1 1 60 60 ALA CA C 60 52.000 52.000 54.881 -2.881 25793 751 1 2 . 1 1 60 60 ALA CB C 60 15.824 15.824 18.553 -2.729 25793 752 1 2 . 1 1 60 60 ALA H H 60 7.489 7.489 8.176 -0.687 25793 753 1 2 . 1 1 61 61 GLY N N 61 108.024 108.024 105.153 2.871 25793 754 1 2 . 1 1 61 61 GLY C C 61 171.515 171.515 175.388 -3.873 25793 755 1 2 . 1 1 61 61 GLY CA C 61 43.797 43.797 46.344 -2.547 25793 756 1 2 . 1 1 61 61 GLY H H 61 8.721 8.721 8.378 0.343 25793 757 1 2 . 1 1 62 62 LYS N N 62 123.393 123.393 121.906 1.487 25793 758 1 2 . 1 1 62 62 LYS HA H 62 1.780 1.780 2.481 -0.701 25793 759 1 2 . 1 1 62 62 LYS C C 62 174.612 174.612 178.433 -3.821 25793 760 1 2 . 1 1 62 62 LYS CA C 62 56.683 56.683 59.163 -2.480 25793 761 1 2 . 1 1 62 62 LYS CB C 62 29.920 29.920 32.017 -2.097 25793 762 1 2 . 1 1 62 62 LYS H H 62 7.683 7.683 7.410 0.273 25793 763 1 2 . 1 1 63 63 GLN N N 63 114.582 114.582 116.513 -1.931 25793 764 1 2 . 1 1 63 63 GLN HA H 63 3.920 3.920 3.968 -0.048 25793 765 1 2 . 1 1 63 63 GLN C C 63 176.294 176.294 178.545 -2.251 25793 766 1 2 . 1 1 63 63 GLN CA C 63 55.604 55.604 58.297 -2.693 25793 767 1 2 . 1 1 63 63 GLN CB C 63 25.557 25.557 28.761 -3.204 25793 768 1 2 . 1 1 63 63 GLN H H 63 6.637 6.637 7.404 -0.767 25793 769 1 2 . 1 1 64 64 ILE N N 64 119.051 119.051 120.502 -1.451 25793 770 1 2 . 1 1 64 64 ILE HA H 64 3.571 3.571 3.524 0.047 25793 771 1 2 . 1 1 64 64 ILE C C 64 175.402 175.402 178.005 -2.603 25793 772 1 2 . 1 1 64 64 ILE CA C 64 62.529 62.529 65.538 -3.009 25793 773 1 2 . 1 1 64 64 ILE CB C 64 36.198 36.198 37.856 -1.658 25793 774 1 2 . 1 1 64 64 ILE H H 64 7.092 7.092 7.186 -0.094 25793 775 1 2 . 1 1 65 65 VAL N N 65 118.800 118.800 119.130 -0.330 25793 776 1 2 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.451 -0.065 25793 777 1 2 . 1 1 65 65 VAL C C 65 174.546 174.546 177.819 -3.273 25793 778 1 2 . 1 1 65 65 VAL CA C 65 64.500 64.500 66.727 -2.227 25793 779 1 2 . 1 1 65 65 VAL CB C 65 28.300 28.300 31.230 -2.930 25793 780 1 2 . 1 1 65 65 VAL H H 65 8.103 8.103 7.865 0.238 25793 781 1 2 . 1 1 66 66 GLU N N 66 118.966 118.966 118.668 0.298 25793 782 1 2 . 1 1 66 66 GLU HA H 66 3.810 3.810 3.957 -0.147 25793 783 1 2 . 1 1 66 66 GLU C C 66 176.292 176.292 179.256 -2.964 25793 784 1 2 . 1 1 66 66 GLU CA C 66 57.618 57.618 59.298 -1.680 25793 785 1 2 . 1 1 66 66 GLU CB C 66 26.391 26.391 29.294 -2.904 25793 786 1 2 . 1 1 66 66 GLU H H 66 8.654 8.654 7.477 1.177 25793 787 1 2 . 1 1 67 67 ARG N N 67 118.499 118.499 118.685 -0.186 25793 788 1 2 . 1 1 67 67 ARG HA H 67 3.990 3.990 4.032 -0.042 25793 789 1 2 . 1 1 67 67 ARG C C 67 176.039 176.039 179.291 -3.252 25793 790 1 2 . 1 1 67 67 ARG CA C 67 56.996 56.996 58.903 -1.907 25793 791 1 2 . 1 1 67 67 ARG CB C 67 26.783 26.783 30.208 -3.425 25793 792 1 2 . 1 1 67 67 ARG H H 67 7.270 7.270 7.770 -0.500 25793 793 1 2 . 1 1 68 68 ILE N N 68 120.031 120.031 115.595 4.436 25793 794 1 2 . 1 1 68 68 ILE HA H 68 3.721 3.721 4.046 -0.325 25793 795 1 2 . 1 1 68 68 ILE C C 68 176.061 176.061 177.003 -0.942 25793 796 1 2 . 1 1 68 68 ILE CA C 68 61.970 61.970 64.399 -2.429 25793 797 1 2 . 1 1 68 68 ILE CB C 68 35.254 35.254 37.710 -2.456 25793 798 1 2 . 1 1 68 68 ILE H H 68 7.569 7.569 8.558 -0.989 25793 799 1 2 . 1 1 69 69 LEU N N 69 118.859 118.859 121.400 -2.541 25793 800 1 2 . 1 1 69 69 LEU HA H 69 4.127 4.127 4.817 -0.690 25793 801 1 2 . 1 1 69 69 LEU C C 69 176.859 176.859 178.889 -2.030 25793 802 1 2 . 1 1 69 69 LEU CA C 69 54.525 54.525 55.252 -0.727 25793 803 1 2 . 1 1 69 69 LEU CB C 69 38.150 38.150 41.618 -3.468 25793 804 1 2 . 1 1 69 69 LEU H H 69 8.305 8.305 7.448 0.857 25793 805 1 2 . 1 1 70 70 LYS N N 70 119.685 119.685 118.812 0.873 25793 806 1 2 . 1 1 70 70 LYS HA H 70 4.098 4.098 4.196 -0.098 25793 807 1 2 . 1 1 70 70 LYS C C 70 175.484 175.484 178.153 -2.669 25793 808 1 2 . 1 1 70 70 LYS CA C 70 55.580 55.580 58.828 -3.248 25793 809 1 2 . 1 1 70 70 LYS CB C 70 29.700 29.700 32.258 -2.558 25793 810 1 2 . 1 1 70 70 LYS H H 70 7.748 7.748 7.649 0.099 25793 811 1 2 . 1 1 71 71 GLU N N 71 118.055 118.055 118.779 -0.724 25793 812 1 2 . 1 1 71 71 GLU HA H 71 4.175 4.175 4.317 -0.142 25793 813 1 2 . 1 1 71 71 GLU C C 71 174.094 174.094 176.488 -2.394 25793 814 1 2 . 1 1 71 71 GLU CA C 71 54.411 54.411 57.825 -3.414 25793 815 1 2 . 1 1 71 71 GLU CB C 71 27.038 27.038 31.272 -4.234 25793 816 1 2 . 1 1 71 71 GLU H H 71 7.644 7.644 7.970 -0.326 25793 817 1 2 . 1 1 72 72 GLU N N 72 118.922 118.922 118.635 0.287 25793 818 1 2 . 1 1 72 72 GLU HA H 72 4.164 4.164 4.630 -0.466 25793 819 1 2 . 1 1 72 72 GLU C C 72 172.677 172.677 174.913 -2.236 25793 820 1 2 . 1 1 72 72 GLU CA C 72 53.047 53.047 55.904 -2.857 25793 821 1 2 . 1 1 72 72 GLU CB C 72 25.297 25.297 32.838 -7.541 25793 822 1 2 . 1 1 72 72 GLU H H 72 7.603 7.603 7.782 -0.179 25793 823 1 3 . 1 1 2 2 ASP HA H 2 4.703 4.703 4.880 -0.177 25793 824 1 3 . 1 1 2 2 ASP C C 2 173.678 173.678 176.343 -2.665 25793 825 1 3 . 1 1 2 2 ASP CA C 2 51.357 51.357 53.570 -2.213 25793 826 1 3 . 1 1 2 2 ASP CB C 2 39.114 39.114 42.804 -3.690 25793 827 1 3 . 1 1 3 3 SER N N 3 118.993 118.993 116.605 2.388 25793 828 1 3 . 1 1 3 3 SER HA H 3 4.237 4.237 4.436 -0.199 25793 829 1 3 . 1 1 3 3 SER C C 3 173.240 173.240 175.465 -2.225 25793 830 1 3 . 1 1 3 3 SER CA C 3 57.300 57.300 59.508 -2.208 25793 831 1 3 . 1 1 3 3 SER CB C 3 60.653 60.653 63.590 -2.937 25793 832 1 3 . 1 1 3 3 SER H H 3 8.745 8.745 8.640 0.105 25793 833 1 3 . 1 1 4 4 ASN N N 4 122.369 122.369 120.004 2.365 25793 834 1 3 . 1 1 4 4 ASN HA H 4 4.576 4.576 4.721 -0.145 25793 835 1 3 . 1 1 4 4 ASN C C 4 176.101 176.101 176.711 -0.610 25793 836 1 3 . 1 1 4 4 ASN CA C 4 52.488 52.488 55.304 -2.816 25793 837 1 3 . 1 1 4 4 ASN CB C 4 33.507 33.507 38.418 -4.911 25793 838 1 3 . 1 1 4 4 ASN H H 4 8.865 8.865 8.503 0.362 25793 839 1 3 . 1 1 5 5 THR N N 5 122.349 122.349 116.069 6.280 25793 840 1 3 . 1 1 5 5 THR HA H 5 4.330 4.330 4.267 0.063 25793 841 1 3 . 1 1 5 5 THR C C 5 174.576 174.576 175.203 -0.627 25793 842 1 3 . 1 1 5 5 THR CA C 5 63.330 63.330 65.338 -2.008 25793 843 1 3 . 1 1 5 5 THR CB C 5 66.155 66.155 69.211 -3.056 25793 844 1 3 . 1 1 5 5 THR H H 5 8.200 8.200 7.494 0.706 25793 845 1 3 . 1 1 6 6 VAL N N 6 124.255 124.255 120.265 3.990 25793 846 1 3 . 1 1 6 6 VAL HA H 6 3.480 3.480 4.033 -0.553 25793 847 1 3 . 1 1 6 6 VAL C C 6 174.988 174.988 177.385 -2.397 25793 848 1 3 . 1 1 6 6 VAL CA C 6 64.919 64.919 65.186 -0.267 25793 849 1 3 . 1 1 6 6 VAL CB C 6 28.699 28.699 31.859 -3.160 25793 850 1 3 . 1 1 6 6 VAL H H 6 7.590 7.590 7.180 0.410 25793 851 1 3 . 1 1 7 7 SER N N 7 116.402 116.402 115.420 0.982 25793 852 1 3 . 1 1 7 7 SER HA H 7 4.459 4.459 4.269 0.191 25793 853 1 3 . 1 1 7 7 SER C C 7 173.494 173.494 176.616 -3.122 25793 854 1 3 . 1 1 7 7 SER CA C 7 59.174 59.174 61.763 -2.589 25793 855 1 3 . 1 1 7 7 SER CB C 7 60.020 60.020 62.832 -2.812 25793 856 1 3 . 1 1 7 7 SER H H 7 8.721 8.721 7.859 0.862 25793 857 1 3 . 1 1 8 8 SER N N 8 116.463 116.463 116.330 0.133 25793 858 1 3 . 1 1 8 8 SER HA H 8 3.745 3.745 4.367 -0.622 25793 859 1 3 . 1 1 8 8 SER C C 8 171.540 171.540 176.348 -4.808 25793 860 1 3 . 1 1 8 8 SER CA C 8 60.322 60.322 61.419 -1.097 25793 861 1 3 . 1 1 8 8 SER CB C 8 60.785 60.785 63.314 -2.529 25793 862 1 3 . 1 1 8 8 SER H H 8 8.213 8.213 7.794 0.419 25793 863 1 3 . 1 1 9 9 PHE N N 9 121.530 121.530 123.490 -1.960 25793 864 1 3 . 1 1 9 9 PHE HA H 9 4.405 4.405 4.514 -0.109 25793 865 1 3 . 1 1 9 9 PHE C C 9 174.481 174.481 176.516 -2.035 25793 866 1 3 . 1 1 9 9 PHE CA C 9 58.488 58.488 60.150 -1.662 25793 867 1 3 . 1 1 9 9 PHE CB C 9 36.397 36.397 39.527 -3.130 25793 868 1 3 . 1 1 9 9 PHE H H 9 7.387 7.387 7.343 0.044 25793 869 1 3 . 1 1 10 10 GLN N N 10 119.460 119.460 119.341 0.119 25793 870 1 3 . 1 1 10 10 GLN HA H 10 3.516 3.516 3.896 -0.380 25793 871 1 3 . 1 1 10 10 GLN C C 10 176.083 176.083 178.706 -2.623 25793 872 1 3 . 1 1 10 10 GLN CA C 10 56.595 56.595 59.082 -2.487 25793 873 1 3 . 1 1 10 10 GLN CB C 10 23.672 23.672 28.738 -5.066 25793 874 1 3 . 1 1 10 10 GLN H H 10 8.335 8.335 7.892 0.443 25793 875 1 3 . 1 1 11 11 VAL N N 11 119.513 119.513 120.074 -0.561 25793 876 1 3 . 1 1 11 11 VAL HA H 11 3.300 3.300 3.836 -0.536 25793 877 1 3 . 1 1 11 11 VAL C C 11 174.535 174.535 177.604 -3.069 25793 878 1 3 . 1 1 11 11 VAL CA C 11 65.180 65.180 65.075 0.105 25793 879 1 3 . 1 1 11 11 VAL CB C 11 28.300 28.300 31.389 -3.088 25793 880 1 3 . 1 1 11 11 VAL H H 11 8.127 8.127 8.079 0.048 25793 881 1 3 . 1 1 12 12 ASP N N 12 120.959 120.959 121.341 -0.382 25793 882 1 3 . 1 1 12 12 ASP HA H 12 4.414 4.414 4.484 -0.070 25793 883 1 3 . 1 1 12 12 ASP C C 12 177.940 177.940 178.567 -0.627 25793 884 1 3 . 1 1 12 12 ASP CA C 12 55.349 55.349 58.221 -2.872 25793 885 1 3 . 1 1 12 12 ASP CB C 12 37.275 37.275 40.596 -3.321 25793 886 1 3 . 1 1 12 12 ASP H H 12 8.116 8.116 7.760 0.356 25793 887 1 3 . 1 1 13 13 CYS N N 13 119.479 119.479 118.302 1.177 25793 888 1 3 . 1 1 13 13 CYS HA H 13 4.015 4.015 4.107 -0.092 25793 889 1 3 . 1 1 13 13 CYS C C 13 175.349 175.349 176.374 -1.025 25793 890 1 3 . 1 1 13 13 CYS CA C 13 62.384 62.384 63.873 -1.489 25793 891 1 3 . 1 1 13 13 CYS CB C 13 23.610 23.610 27.247 -3.638 25793 892 1 3 . 1 1 13 13 CYS H H 13 8.448 8.448 7.769 0.679 25793 893 1 3 . 1 1 14 14 PHE N N 14 121.085 121.085 121.677 -0.592 25793 894 1 3 . 1 1 14 14 PHE HA H 14 4.460 4.460 4.246 0.214 25793 895 1 3 . 1 1 14 14 PHE C C 14 174.143 174.143 176.886 -2.743 25793 896 1 3 . 1 1 14 14 PHE CA C 14 59.902 59.902 61.143 -1.241 25793 897 1 3 . 1 1 14 14 PHE CB C 14 35.907 35.907 39.218 -3.312 25793 898 1 3 . 1 1 14 14 PHE H H 14 8.244 8.244 7.612 0.632 25793 899 1 3 . 1 1 15 15 LEU N N 15 118.069 118.069 119.177 -1.108 25793 900 1 3 . 1 1 15 15 LEU HA H 15 3.735 3.735 3.796 -0.061 25793 901 1 3 . 1 1 15 15 LEU C C 15 176.261 176.261 178.461 -2.200 25793 902 1 3 . 1 1 15 15 LEU CA C 15 55.494 55.494 58.200 -2.705 25793 903 1 3 . 1 1 15 15 LEU CB C 15 36.676 36.676 41.189 -4.513 25793 904 1 3 . 1 1 15 15 LEU H H 15 9.072 9.072 8.470 0.602 25793 905 1 3 . 1 1 16 16 TRP N N 16 120.587 120.587 119.952 0.635 25793 906 1 3 . 1 1 16 16 TRP HA H 16 3.660 3.660 4.307 -0.647 25793 907 1 3 . 1 1 16 16 TRP C C 16 173.925 173.925 177.924 -3.999 25793 908 1 3 . 1 1 16 16 TRP CA C 16 61.127 61.127 61.608 -0.480 25793 909 1 3 . 1 1 16 16 TRP CB C 16 26.247 26.247 29.687 -3.440 25793 910 1 3 . 1 1 16 16 TRP H H 16 8.142 8.142 8.377 -0.235 25793 911 1 3 . 1 1 17 17 HIS N N 17 117.927 117.927 118.392 -0.465 25793 912 1 3 . 1 1 17 17 HIS HA H 17 4.022 4.022 4.492 -0.470 25793 913 1 3 . 1 1 17 17 HIS C C 17 173.650 173.650 176.375 -2.725 25793 914 1 3 . 1 1 17 17 HIS CA C 17 57.350 57.350 59.214 -1.863 25793 915 1 3 . 1 1 17 17 HIS CB C 17 25.231 25.231 30.011 -4.780 25793 916 1 3 . 1 1 17 17 HIS H H 17 7.697 7.697 7.588 0.109 25793 917 1 3 . 1 1 18 18 VAL N N 18 118.787 118.787 118.503 0.284 25793 918 1 3 . 1 1 18 18 VAL HA H 18 2.949 2.949 3.580 -0.631 25793 919 1 3 . 1 1 18 18 VAL C C 18 174.321 174.321 177.683 -3.362 25793 920 1 3 . 1 1 18 18 VAL CA C 18 64.400 64.400 65.942 -1.542 25793 921 1 3 . 1 1 18 18 VAL CB C 18 28.400 28.400 31.678 -3.278 25793 922 1 3 . 1 1 18 18 VAL H H 18 7.651 7.651 7.465 0.186 25793 923 1 3 . 1 1 19 19 ARG N N 19 118.108 118.108 118.694 -0.586 25793 924 1 3 . 1 1 19 19 ARG HA H 19 3.661 3.661 4.096 -0.435 25793 925 1 3 . 1 1 19 19 ARG C C 19 174.575 174.575 178.151 -3.576 25793 926 1 3 . 1 1 19 19 ARG CA C 19 57.558 57.558 59.250 -1.692 25793 927 1 3 . 1 1 19 19 ARG CB C 19 28.140 28.140 29.953 -1.813 25793 928 1 3 . 1 1 19 19 ARG H H 19 7.602 7.602 7.718 -0.116 25793 929 1 3 . 1 1 20 20 LYS N N 20 121.889 121.889 119.076 2.813 25793 930 1 3 . 1 1 20 20 LYS HA H 20 3.530 3.530 4.023 -0.493 25793 931 1 3 . 1 1 20 20 LYS C C 20 174.970 174.970 178.691 -3.721 25793 932 1 3 . 1 1 20 20 LYS CA C 20 55.292 55.292 58.159 -2.867 25793 933 1 3 . 1 1 20 20 LYS CB C 20 28.420 28.420 32.245 -3.825 25793 934 1 3 . 1 1 20 20 LYS H H 20 8.304 8.304 7.747 0.557 25793 935 1 3 . 1 1 21 21 ARG N N 21 118.825 118.825 118.320 0.505 25793 936 1 3 . 1 1 21 21 ARG HA H 21 3.915 3.915 4.111 -0.196 25793 937 1 3 . 1 1 21 21 ARG C C 21 176.513 176.513 177.212 -0.699 25793 938 1 3 . 1 1 21 21 ARG CA C 21 55.003 55.003 58.532 -3.529 25793 939 1 3 . 1 1 21 21 ARG CB C 21 26.002 26.002 30.093 -4.091 25793 940 1 3 . 1 1 21 21 ARG H H 21 7.772 7.772 7.710 0.062 25793 941 1 3 . 1 1 22 22 PHE N N 22 120.501 120.501 118.811 1.690 25793 942 1 3 . 1 1 22 22 PHE HA H 22 3.899 3.899 4.346 -0.447 25793 943 1 3 . 1 1 22 22 PHE C C 22 173.880 173.880 176.519 -2.639 25793 944 1 3 . 1 1 22 22 PHE CA C 22 58.542 58.542 60.680 -2.138 25793 945 1 3 . 1 1 22 22 PHE CB C 22 35.961 35.961 39.756 -3.795 25793 946 1 3 . 1 1 22 22 PHE H H 22 7.799 7.799 7.566 0.233 25793 947 1 3 . 1 1 23 23 ALA N N 23 123.040 123.040 121.507 1.533 25793 948 1 3 . 1 1 23 23 ALA HA H 23 3.720 3.720 4.134 -0.414 25793 949 1 3 . 1 1 23 23 ALA C C 23 179.545 179.545 179.911 -0.366 25793 950 1 3 . 1 1 23 23 ALA CA C 23 51.750 51.750 54.834 -3.084 25793 951 1 3 . 1 1 23 23 ALA CB C 23 15.970 15.970 18.383 -2.413 25793 952 1 3 . 1 1 23 23 ALA H H 23 8.627 8.627 8.300 0.327 25793 953 1 3 . 1 1 24 24 ASP N N 24 121.514 121.514 117.649 3.865 25793 954 1 3 . 1 1 24 24 ASP HA H 24 4.323 4.323 4.527 -0.204 25793 955 1 3 . 1 1 24 24 ASP C C 24 175.020 175.020 177.154 -2.134 25793 956 1 3 . 1 1 24 24 ASP CA C 24 53.645 53.645 56.289 -2.644 25793 957 1 3 . 1 1 24 24 ASP CB C 24 37.158 37.158 40.757 -3.599 25793 958 1 3 . 1 1 24 24 ASP H H 24 8.846 8.846 7.932 0.914 25793 959 1 3 . 1 1 25 25 GLN N N 25 118.127 118.127 117.428 0.699 25793 960 1 3 . 1 1 25 25 GLN HA H 25 4.159 4.159 4.323 -0.164 25793 961 1 3 . 1 1 25 25 GLN C C 25 171.680 171.680 174.837 -3.157 25793 962 1 3 . 1 1 25 25 GLN CA C 25 53.101 53.101 55.589 -2.488 25793 963 1 3 . 1 1 25 25 GLN CB C 25 25.351 25.351 29.975 -4.624 25793 964 1 3 . 1 1 25 25 GLN H H 25 7.192 7.192 7.407 -0.215 25793 965 1 3 . 1 1 26 26 GLU N N 26 112.361 112.361 117.578 -5.217 25793 966 1 3 . 1 1 26 26 GLU HA H 26 3.906 3.906 3.910 -0.004 25793 967 1 3 . 1 1 26 26 GLU C C 26 173.060 173.060 174.864 -1.804 25793 968 1 3 . 1 1 26 26 GLU CA C 26 54.352 54.352 57.072 -2.720 25793 969 1 3 . 1 1 26 26 GLU CB C 26 22.759 22.759 27.645 -4.886 25793 970 1 3 . 1 1 26 26 GLU H H 26 7.975 7.975 7.756 0.219 25793 971 1 3 . 1 1 27 27 LEU N N 27 115.873 115.873 121.288 -5.415 25793 972 1 3 . 1 1 27 27 LEU HA H 27 4.043 4.043 4.284 -0.241 25793 973 1 3 . 1 1 27 27 LEU C C 27 172.610 172.610 176.179 -3.569 25793 974 1 3 . 1 1 27 27 LEU CA C 27 50.921 50.921 54.232 -3.311 25793 975 1 3 . 1 1 27 27 LEU CB C 27 40.359 40.359 42.567 -2.208 25793 976 1 3 . 1 1 27 27 LEU H H 27 5.781 5.781 7.375 -1.594 25793 977 1 3 . 1 1 28 28 GLY N N 28 103.011 103.011 111.754 -8.743 25793 978 1 3 . 1 1 28 28 GLY C C 28 172.297 172.297 173.355 -1.058 25793 979 1 3 . 1 1 28 28 GLY CA C 28 41.348 41.348 44.021 -2.673 25793 980 1 3 . 1 1 28 28 GLY H H 28 7.785 7.785 8.211 -0.426 25793 981 1 3 . 1 1 29 29 ASP N N 29 122.671 122.671 119.791 2.880 25793 982 1 3 . 1 1 29 29 ASP HA H 29 4.720 4.720 4.808 -0.088 25793 983 1 3 . 1 1 29 29 ASP C C 29 172.137 172.137 177.781 -5.644 25793 984 1 3 . 1 1 29 29 ASP CA C 29 48.748 48.748 53.469 -4.721 25793 985 1 3 . 1 1 29 29 ASP CB C 29 38.519 38.519 42.069 -3.550 25793 986 1 3 . 1 1 29 29 ASP H H 29 7.515 7.515 8.404 -0.889 25793 987 1 3 . 1 1 30 30 ALA N N 30 119.757 119.757 123.286 -3.529 25793 988 1 3 . 1 1 30 30 ALA HA H 30 4.240 4.240 4.259 -0.019 25793 989 1 3 . 1 1 30 30 ALA CA C 30 54.400 54.400 55.286 -0.886 25793 990 1 3 . 1 1 30 30 ALA CB C 30 12.540 12.540 17.049 -4.509 25793 991 1 3 . 1 1 30 30 ALA H H 30 8.492 8.492 8.626 -0.134 25793 992 1 3 . 1 1 31 31 PRO HA H 31 4.361 4.361 4.585 -0.224 25793 993 1 3 . 1 1 31 31 PRO C C 31 175.699 175.699 177.999 -2.300 25793 994 1 3 . 1 1 31 31 PRO CA C 31 63.220 63.220 64.574 -1.354 25793 995 1 3 . 1 1 31 31 PRO CB C 31 28.336 28.336 31.378 -3.042 25793 996 1 3 . 1 1 32 32 PHE N N 32 119.824 119.824 118.548 1.276 25793 997 1 3 . 1 1 32 32 PHE HA H 32 3.885 3.885 4.278 -0.393 25793 998 1 3 . 1 1 32 32 PHE C C 32 176.949 176.949 177.144 -0.195 25793 999 1 3 . 1 1 32 32 PHE CA C 32 59.685 59.685 61.632 -1.947 25793 1000 1 3 . 1 1 32 32 PHE CB C 32 36.778 36.778 39.269 -2.491 25793 1001 1 3 . 1 1 32 32 PHE H H 32 7.949 7.949 7.665 0.284 25793 1002 1 3 . 1 1 33 33 LEU N N 33 121.755 121.755 119.596 2.159 25793 1003 1 3 . 1 1 33 33 LEU HA H 33 4.063 4.063 3.988 0.075 25793 1004 1 3 . 1 1 33 33 LEU C C 33 176.490 176.490 178.391 -1.901 25793 1005 1 3 . 1 1 33 33 LEU CA C 33 54.968 54.968 58.300 -3.332 25793 1006 1 3 . 1 1 33 33 LEU CB C 33 38.335 38.335 41.944 -3.609 25793 1007 1 3 . 1 1 33 33 LEU H H 33 8.386 8.386 7.737 0.649 25793 1008 1 3 . 1 1 34 34 ASP N N 34 121.771 121.771 119.875 1.896 25793 1009 1 3 . 1 1 34 34 ASP HA H 34 4.399 4.399 4.333 0.066 25793 1010 1 3 . 1 1 34 34 ASP C C 34 176.196 176.196 179.138 -2.942 25793 1011 1 3 . 1 1 34 34 ASP CA C 34 54.871 54.871 57.973 -3.102 25793 1012 1 3 . 1 1 34 34 ASP CB C 34 38.471 38.471 40.646 -2.175 25793 1013 1 3 . 1 1 34 34 ASP H H 34 8.252 8.252 7.551 0.701 25793 1014 1 3 . 1 1 35 35 ARG N N 35 119.119 119.119 119.519 -0.400 25793 1015 1 3 . 1 1 35 35 ARG HA H 35 3.818 3.818 3.987 -0.169 25793 1016 1 3 . 1 1 35 35 ARG C C 35 175.752 175.752 178.671 -2.919 25793 1017 1 3 . 1 1 35 35 ARG CA C 35 57.302 57.302 59.173 -1.871 25793 1018 1 3 . 1 1 35 35 ARG CB C 35 27.486 27.486 30.211 -2.725 25793 1019 1 3 . 1 1 35 35 ARG H H 35 8.197 8.197 7.950 0.247 25793 1020 1 3 . 1 1 36 36 LEU N N 36 120.940 120.940 119.877 1.063 25793 1021 1 3 . 1 1 36 36 LEU HA H 36 3.872 3.872 4.035 -0.163 25793 1022 1 3 . 1 1 36 36 LEU C C 36 177.676 177.676 178.901 -1.225 25793 1023 1 3 . 1 1 36 36 LEU CA C 36 55.818 55.818 58.118 -2.300 25793 1024 1 3 . 1 1 36 36 LEU CB C 36 40.156 40.156 41.919 -1.764 25793 1025 1 3 . 1 1 36 36 LEU H H 36 7.735 7.735 7.777 -0.042 25793 1026 1 3 . 1 1 37 37 ARG N N 37 120.596 120.596 118.057 2.539 25793 1027 1 3 . 1 1 37 37 ARG HA H 37 4.241 4.241 4.010 0.231 25793 1028 1 3 . 1 1 37 37 ARG C C 37 174.571 174.571 178.999 -4.428 25793 1029 1 3 . 1 1 37 37 ARG CA C 37 56.891 56.891 59.767 -2.876 25793 1030 1 3 . 1 1 37 37 ARG CB C 37 27.936 27.936 29.986 -2.050 25793 1031 1 3 . 1 1 37 37 ARG H H 37 8.006 8.006 7.657 0.349 25793 1032 1 3 . 1 1 38 38 ARG N N 38 121.436 121.436 118.363 3.073 25793 1033 1 3 . 1 1 38 38 ARG HA H 38 3.987 3.987 4.051 -0.064 25793 1034 1 3 . 1 1 38 38 ARG C C 38 177.290 177.290 178.483 -1.193 25793 1035 1 3 . 1 1 38 38 ARG CA C 38 57.131 57.131 59.115 -1.984 25793 1036 1 3 . 1 1 38 38 ARG CB C 38 27.450 27.450 30.054 -2.604 25793 1037 1 3 . 1 1 38 38 ARG H H 38 8.307 8.307 7.619 0.688 25793 1038 1 3 . 1 1 39 39 ASP N N 39 120.034 120.034 118.200 1.834 25793 1039 1 3 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.596 -0.067 25793 1040 1 3 . 1 1 39 39 ASP C C 39 174.864 174.864 177.854 -2.990 25793 1041 1 3 . 1 1 39 39 ASP CA C 39 53.700 53.700 56.836 -3.136 25793 1042 1 3 . 1 1 39 39 ASP CB C 39 37.158 37.158 41.509 -4.351 25793 1043 1 3 . 1 1 39 39 ASP H H 39 8.737 8.737 7.690 1.047 25793 1044 1 3 . 1 1 40 40 GLN N N 40 121.853 121.853 120.656 1.197 25793 1045 1 3 . 1 1 40 40 GLN HA H 40 2.999 2.999 3.480 -0.481 25793 1046 1 3 . 1 1 40 40 GLN C C 40 175.010 175.010 177.817 -2.807 25793 1047 1 3 . 1 1 40 40 GLN CA C 40 56.747 56.747 59.087 -2.340 25793 1048 1 3 . 1 1 40 40 GLN CB C 40 25.196 25.196 28.563 -3.367 25793 1049 1 3 . 1 1 40 40 GLN H H 40 7.954 7.954 7.932 0.022 25793 1050 1 3 . 1 1 41 41 LYS N N 41 117.346 117.346 118.519 -1.173 25793 1051 1 3 . 1 1 41 41 LYS HA H 41 3.914 3.914 4.033 -0.119 25793 1052 1 3 . 1 1 41 41 LYS C C 41 177.117 177.117 179.284 -2.167 25793 1053 1 3 . 1 1 41 41 LYS CA C 41 56.689 56.689 59.064 -2.375 25793 1054 1 3 . 1 1 41 41 LYS CB C 41 29.446 29.446 32.016 -2.570 25793 1055 1 3 . 1 1 41 41 LYS H H 41 7.014 7.014 7.622 -0.608 25793 1056 1 3 . 1 1 42 42 SER N N 42 115.844 115.844 116.014 -0.170 25793 1057 1 3 . 1 1 42 42 SER HA H 42 4.262 4.262 4.317 -0.055 25793 1058 1 3 . 1 1 42 42 SER C C 42 175.262 175.262 176.305 -1.043 25793 1059 1 3 . 1 1 42 42 SER CA C 42 58.256 58.256 61.319 -3.063 25793 1060 1 3 . 1 1 42 42 SER CB C 42 59.683 59.683 63.033 -3.350 25793 1061 1 3 . 1 1 42 42 SER H H 42 7.875 7.875 7.608 0.267 25793 1062 1 3 . 1 1 43 43 LEU N N 43 123.254 123.254 122.734 0.520 25793 1063 1 3 . 1 1 43 43 LEU HA H 43 4.082 4.082 4.026 0.056 25793 1064 1 3 . 1 1 43 43 LEU C C 43 176.505 176.505 178.763 -2.258 25793 1065 1 3 . 1 1 43 43 LEU CA C 43 55.621 55.621 58.476 -2.855 25793 1066 1 3 . 1 1 43 43 LEU CB C 43 38.460 38.460 41.963 -3.503 25793 1067 1 3 . 1 1 43 43 LEU H H 43 8.736 8.736 8.266 0.470 25793 1068 1 3 . 1 1 44 44 ARG N N 44 118.877 118.877 118.018 0.859 25793 1069 1 3 . 1 1 44 44 ARG HA H 44 4.011 4.011 4.027 -0.016 25793 1070 1 3 . 1 1 44 44 ARG C C 44 177.379 177.379 178.943 -1.564 25793 1071 1 3 . 1 1 44 44 ARG CA C 44 56.911 56.911 59.569 -2.658 25793 1072 1 3 . 1 1 44 44 ARG CB C 44 26.602 26.602 30.103 -3.501 25793 1073 1 3 . 1 1 44 44 ARG H H 44 7.686 7.686 7.803 -0.117 25793 1074 1 3 . 1 1 45 45 GLY N N 45 107.372 107.372 106.038 1.334 25793 1075 1 3 . 1 1 45 45 GLY C C 45 173.935 173.935 175.716 -1.781 25793 1076 1 3 . 1 1 45 45 GLY CA C 45 44.395 44.395 46.200 -1.805 25793 1077 1 3 . 1 1 45 45 GLY H H 45 7.762 7.762 7.876 -0.114 25793 1078 1 3 . 1 1 46 46 ARG N N 46 123.780 123.780 121.987 1.793 25793 1079 1 3 . 1 1 46 46 ARG HA H 46 3.902 3.902 4.282 -0.380 25793 1080 1 3 . 1 1 46 46 ARG C C 46 175.910 175.910 178.284 -2.374 25793 1081 1 3 . 1 1 46 46 ARG CA C 46 56.375 56.375 58.237 -1.862 25793 1082 1 3 . 1 1 46 46 ARG CB C 46 28.851 28.851 30.308 -1.457 25793 1083 1 3 . 1 1 46 46 ARG H H 46 8.381 8.381 7.633 0.748 25793 1084 1 3 . 1 1 47 47 GLY N N 47 107.330 107.330 106.973 0.357 25793 1085 1 3 . 1 1 47 47 GLY C C 47 173.406 173.406 175.995 -2.589 25793 1086 1 3 . 1 1 47 47 GLY CA C 47 45.429 45.429 46.664 -1.235 25793 1087 1 3 . 1 1 47 47 GLY H H 47 8.782 8.782 7.784 0.998 25793 1088 1 3 . 1 1 48 48 SER N N 48 116.214 116.214 117.426 -1.212 25793 1089 1 3 . 1 1 48 48 SER HA H 48 4.200 4.200 4.105 0.095 25793 1090 1 3 . 1 1 48 48 SER C C 48 174.824 174.824 176.826 -2.002 25793 1091 1 3 . 1 1 48 48 SER CA C 48 58.531 58.531 61.902 -3.371 25793 1092 1 3 . 1 1 48 48 SER CB C 48 59.837 59.837 62.854 -3.017 25793 1093 1 3 . 1 1 48 48 SER H H 48 7.737 7.737 7.635 0.102 25793 1094 1 3 . 1 1 49 49 THR N N 49 118.158 118.158 117.964 0.194 25793 1095 1 3 . 1 1 49 49 THR HA H 49 3.885 3.885 3.955 -0.070 25793 1096 1 3 . 1 1 49 49 THR C C 49 173.322 173.322 176.263 -2.941 25793 1097 1 3 . 1 1 49 49 THR CA C 49 63.385 63.385 64.794 -1.409 25793 1098 1 3 . 1 1 49 49 THR CB C 49 65.997 65.997 68.794 -2.797 25793 1099 1 3 . 1 1 49 49 THR H H 49 7.784 7.784 7.435 0.349 25793 1100 1 3 . 1 1 50 50 LEU N N 50 118.727 118.727 120.346 -1.619 25793 1101 1 3 . 1 1 50 50 LEU HA H 50 4.050 4.050 4.234 -0.184 25793 1102 1 3 . 1 1 50 50 LEU C C 50 174.153 174.153 177.833 -3.680 25793 1103 1 3 . 1 1 50 50 LEU CA C 50 52.580 52.580 55.171 -2.591 25793 1104 1 3 . 1 1 50 50 LEU CB C 50 39.994 39.994 42.231 -2.237 25793 1105 1 3 . 1 1 50 50 LEU H H 50 7.734 7.734 7.720 0.014 25793 1106 1 3 . 1 1 51 51 GLY N N 51 108.894 108.894 106.843 2.051 25793 1107 1 3 . 1 1 51 51 GLY C C 51 171.597 171.597 174.399 -2.802 25793 1108 1 3 . 1 1 51 51 GLY CA C 51 43.400 43.400 45.482 -2.082 25793 1109 1 3 . 1 1 51 51 GLY H H 51 7.698 7.698 7.722 -0.024 25793 1110 1 3 . 1 1 52 52 LEU N N 52 119.252 119.252 121.386 -2.134 25793 1111 1 3 . 1 1 52 52 LEU HA H 52 4.638 4.638 4.420 0.218 25793 1112 1 3 . 1 1 52 52 LEU C C 52 172.244 172.244 176.739 -4.495 25793 1113 1 3 . 1 1 52 52 LEU CA C 52 50.261 50.261 54.713 -4.452 25793 1114 1 3 . 1 1 52 52 LEU CB C 52 42.411 42.411 42.708 -0.297 25793 1115 1 3 . 1 1 52 52 LEU H H 52 7.661 7.661 7.636 0.025 25793 1116 1 3 . 1 1 53 53 ASP N N 53 121.433 121.433 124.765 -3.332 25793 1117 1 3 . 1 1 53 53 ASP HA H 53 4.658 4.658 4.676 -0.018 25793 1118 1 3 . 1 1 53 53 ASP C C 53 174.204 174.204 177.294 -3.090 25793 1119 1 3 . 1 1 53 53 ASP CA C 53 50.435 50.435 55.101 -4.666 25793 1120 1 3 . 1 1 53 53 ASP CB C 53 40.206 40.206 42.077 -1.871 25793 1121 1 3 . 1 1 53 53 ASP H H 53 8.127 8.127 8.527 -0.400 25793 1122 1 3 . 1 1 54 54 ILE N N 54 125.804 125.804 126.895 -1.091 25793 1123 1 3 . 1 1 54 54 ILE HA H 54 3.797 3.797 3.688 0.109 25793 1124 1 3 . 1 1 54 54 ILE C C 54 176.613 176.613 177.155 -0.542 25793 1125 1 3 . 1 1 54 54 ILE CA C 54 62.133 62.133 64.514 -2.381 25793 1126 1 3 . 1 1 54 54 ILE CB C 54 35.036 35.036 38.528 -3.492 25793 1127 1 3 . 1 1 54 54 ILE H H 54 8.788 8.788 8.720 0.068 25793 1128 1 3 . 1 1 55 55 GLU N N 55 125.797 125.797 119.096 6.701 25793 1129 1 3 . 1 1 55 55 GLU HA H 55 4.009 4.009 3.977 0.032 25793 1130 1 3 . 1 1 55 55 GLU C C 55 176.730 176.730 179.126 -2.396 25793 1131 1 3 . 1 1 55 55 GLU CA C 55 57.998 57.998 59.846 -1.848 25793 1132 1 3 . 1 1 55 55 GLU CB C 55 25.895 25.895 28.991 -3.096 25793 1133 1 3 . 1 1 55 55 GLU H H 55 8.945 8.945 8.674 0.271 25793 1134 1 3 . 1 1 56 56 THR N N 56 117.286 117.286 114.725 2.561 25793 1135 1 3 . 1 1 56 56 THR HA H 56 3.817 3.817 4.032 -0.215 25793 1136 1 3 . 1 1 56 56 THR C C 56 174.617 174.617 175.843 -1.226 25793 1137 1 3 . 1 1 56 56 THR CA C 56 63.766 63.766 65.421 -1.655 25793 1138 1 3 . 1 1 56 56 THR CB C 56 65.452 65.452 68.414 -2.962 25793 1139 1 3 . 1 1 56 56 THR H H 56 8.240 8.240 8.179 0.061 25793 1140 1 3 . 1 1 57 57 ALA N N 57 125.072 125.072 122.787 2.285 25793 1141 1 3 . 1 1 57 57 ALA HA H 57 4.230 4.230 4.154 0.075 25793 1142 1 3 . 1 1 57 57 ALA C C 57 176.346 176.346 178.963 -2.617 25793 1143 1 3 . 1 1 57 57 ALA CA C 57 52.650 52.650 54.711 -2.061 25793 1144 1 3 . 1 1 57 57 ALA CB C 57 17.400 17.400 18.476 -1.076 25793 1145 1 3 . 1 1 57 57 ALA H H 57 8.121 8.121 7.888 0.233 25793 1146 1 3 . 1 1 58 58 THR N N 58 115.752 115.752 109.719 6.033 25793 1147 1 3 . 1 1 58 58 THR HA H 58 3.632 3.632 4.099 -0.467 25793 1148 1 3 . 1 1 58 58 THR C C 58 172.862 172.862 176.383 -3.521 25793 1149 1 3 . 1 1 58 58 THR CA C 58 65.100 65.100 64.954 0.146 25793 1150 1 3 . 1 1 58 58 THR CB C 58 66.100 66.100 68.841 -2.741 25793 1151 1 3 . 1 1 58 58 THR H H 58 8.381 8.381 8.280 0.101 25793 1152 1 3 . 1 1 59 59 ARG N N 59 120.537 120.537 120.962 -0.425 25793 1153 1 3 . 1 1 59 59 ARG HA H 59 3.911 3.911 4.382 -0.471 25793 1154 1 3 . 1 1 59 59 ARG C C 59 176.099 176.099 177.856 -1.757 25793 1155 1 3 . 1 1 59 59 ARG CA C 59 56.616 56.616 58.282 -1.666 25793 1156 1 3 . 1 1 59 59 ARG CB C 59 27.022 27.022 30.464 -3.442 25793 1157 1 3 . 1 1 59 59 ARG H H 59 7.245 7.245 7.350 -0.105 25793 1158 1 3 . 1 1 60 60 ALA N N 60 121.996 121.996 122.367 -0.371 25793 1159 1 3 . 1 1 60 60 ALA HA H 60 4.120 4.120 4.148 -0.028 25793 1160 1 3 . 1 1 60 60 ALA C C 60 178.745 178.745 179.682 -0.937 25793 1161 1 3 . 1 1 60 60 ALA CA C 60 52.000 52.000 55.035 -3.034 25793 1162 1 3 . 1 1 60 60 ALA CB C 60 15.824 15.824 18.339 -2.515 25793 1163 1 3 . 1 1 60 60 ALA H H 60 7.489 7.489 7.992 -0.503 25793 1164 1 3 . 1 1 61 61 GLY N N 61 108.024 108.024 105.029 2.995 25793 1165 1 3 . 1 1 61 61 GLY C C 61 171.515 171.515 175.217 -3.702 25793 1166 1 3 . 1 1 61 61 GLY CA C 61 43.797 43.797 46.063 -2.266 25793 1167 1 3 . 1 1 61 61 GLY H H 61 8.721 8.721 8.085 0.636 25793 1168 1 3 . 1 1 62 62 LYS N N 62 123.393 123.393 120.787 2.606 25793 1169 1 3 . 1 1 62 62 LYS HA H 62 1.780 1.780 2.842 -1.062 25793 1170 1 3 . 1 1 62 62 LYS C C 62 174.612 174.612 178.507 -3.895 25793 1171 1 3 . 1 1 62 62 LYS CA C 62 56.683 56.683 58.805 -2.122 25793 1172 1 3 . 1 1 62 62 LYS CB C 62 29.920 29.920 32.234 -2.314 25793 1173 1 3 . 1 1 62 62 LYS H H 62 7.683 7.683 7.347 0.336 25793 1174 1 3 . 1 1 63 63 GLN N N 63 114.582 114.582 116.879 -2.297 25793 1175 1 3 . 1 1 63 63 GLN HA H 63 3.920 3.920 4.011 -0.091 25793 1176 1 3 . 1 1 63 63 GLN C C 63 176.294 176.294 178.497 -2.203 25793 1177 1 3 . 1 1 63 63 GLN CA C 63 55.604 55.604 58.547 -2.943 25793 1178 1 3 . 1 1 63 63 GLN CB C 63 25.557 25.557 28.763 -3.206 25793 1179 1 3 . 1 1 63 63 GLN H H 63 6.637 6.637 7.529 -0.892 25793 1180 1 3 . 1 1 64 64 ILE N N 64 119.051 119.051 118.156 0.895 25793 1181 1 3 . 1 1 64 64 ILE HA H 64 3.571 3.571 3.795 -0.224 25793 1182 1 3 . 1 1 64 64 ILE C C 64 175.402 175.402 177.419 -2.017 25793 1183 1 3 . 1 1 64 64 ILE CA C 64 62.529 62.529 64.203 -1.674 25793 1184 1 3 . 1 1 64 64 ILE CB C 64 36.198 36.198 37.922 -1.724 25793 1185 1 3 . 1 1 64 64 ILE H H 64 7.092 7.092 7.426 -0.334 25793 1186 1 3 . 1 1 65 65 VAL N N 65 118.800 118.800 119.508 -0.708 25793 1187 1 3 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.697 -0.311 25793 1188 1 3 . 1 1 65 65 VAL C C 65 174.546 174.546 177.024 -2.478 25793 1189 1 3 . 1 1 65 65 VAL CA C 65 64.500 64.500 66.133 -1.633 25793 1190 1 3 . 1 1 65 65 VAL CB C 65 28.300 28.300 31.931 -3.631 25793 1191 1 3 . 1 1 65 65 VAL H H 65 8.103 8.103 7.059 1.044 25793 1192 1 3 . 1 1 66 66 GLU N N 66 118.966 118.966 119.861 -0.895 25793 1193 1 3 . 1 1 66 66 GLU HA H 66 3.810 3.810 3.984 -0.174 25793 1194 1 3 . 1 1 66 66 GLU C C 66 176.292 176.292 179.250 -2.958 25793 1195 1 3 . 1 1 66 66 GLU CA C 66 57.618 57.618 59.698 -2.080 25793 1196 1 3 . 1 1 66 66 GLU CB C 66 26.391 26.391 29.657 -3.266 25793 1197 1 3 . 1 1 66 66 GLU H H 66 8.654 8.654 7.444 1.210 25793 1198 1 3 . 1 1 67 67 ARG N N 67 118.499 118.499 117.840 0.659 25793 1199 1 3 . 1 1 67 67 ARG HA H 67 3.990 3.990 4.138 -0.148 25793 1200 1 3 . 1 1 67 67 ARG C C 67 176.039 176.039 178.682 -2.643 25793 1201 1 3 . 1 1 67 67 ARG CA C 67 56.996 56.996 58.756 -1.760 25793 1202 1 3 . 1 1 67 67 ARG CB C 67 26.783 26.783 30.509 -3.726 25793 1203 1 3 . 1 1 67 67 ARG H H 67 7.270 7.270 8.332 -1.062 25793 1204 1 3 . 1 1 68 68 ILE N N 68 120.031 120.031 116.160 3.871 25793 1205 1 3 . 1 1 68 68 ILE HA H 68 3.721 3.721 4.397 -0.676 25793 1206 1 3 . 1 1 68 68 ILE C C 68 176.061 176.061 176.425 -0.364 25793 1207 1 3 . 1 1 68 68 ILE CA C 68 61.970 61.970 63.227 -1.257 25793 1208 1 3 . 1 1 68 68 ILE CB C 68 35.254 35.254 38.575 -3.321 25793 1209 1 3 . 1 1 68 68 ILE H H 68 7.569 7.569 7.485 0.084 25793 1210 1 3 . 1 1 69 69 LEU N N 69 118.859 118.859 120.958 -2.099 25793 1211 1 3 . 1 1 69 69 LEU HA H 69 4.127 4.127 4.389 -0.262 25793 1212 1 3 . 1 1 69 69 LEU C C 69 176.859 176.859 178.067 -1.208 25793 1213 1 3 . 1 1 69 69 LEU CA C 69 54.525 54.525 56.178 -1.653 25793 1214 1 3 . 1 1 69 69 LEU CB C 69 38.150 38.150 41.804 -3.654 25793 1215 1 3 . 1 1 69 69 LEU H H 69 8.305 8.305 7.678 0.627 25793 1216 1 3 . 1 1 70 70 LYS N N 70 119.685 119.685 118.272 1.413 25793 1217 1 3 . 1 1 70 70 LYS HA H 70 4.098 4.098 4.184 -0.086 25793 1218 1 3 . 1 1 70 70 LYS C C 70 175.484 175.484 177.631 -2.147 25793 1219 1 3 . 1 1 70 70 LYS CA C 70 55.580 55.580 58.424 -2.844 25793 1220 1 3 . 1 1 70 70 LYS CB C 70 29.700 29.700 32.218 -2.518 25793 1221 1 3 . 1 1 70 70 LYS H H 70 7.748 7.748 7.500 0.248 25793 1222 1 3 . 1 1 71 71 GLU N N 71 118.055 118.055 119.191 -1.136 25793 1223 1 3 . 1 1 71 71 GLU HA H 71 4.175 4.175 4.254 -0.079 25793 1224 1 3 . 1 1 71 71 GLU C C 71 174.094 174.094 176.564 -2.470 25793 1225 1 3 . 1 1 71 71 GLU CA C 71 54.411 54.411 57.571 -3.160 25793 1226 1 3 . 1 1 71 71 GLU CB C 71 27.038 27.038 30.312 -3.274 25793 1227 1 3 . 1 1 71 71 GLU H H 71 7.644 7.644 8.172 -0.528 25793 1228 1 3 . 1 1 72 72 GLU N N 72 118.922 118.922 118.507 0.415 25793 1229 1 3 . 1 1 72 72 GLU HA H 72 4.164 4.164 4.619 -0.455 25793 1230 1 3 . 1 1 72 72 GLU C C 72 172.677 172.677 175.309 -2.632 25793 1231 1 3 . 1 1 72 72 GLU CA C 72 53.047 53.047 56.038 -2.991 25793 1232 1 3 . 1 1 72 72 GLU CB C 72 25.297 25.297 32.231 -6.934 25793 1233 1 3 . 1 1 72 72 GLU H H 72 7.603 7.603 7.988 -0.385 25793 1234 1 4 . 1 1 2 2 ASP HA H 2 4.703 4.703 4.795 -0.092 25793 1235 1 4 . 1 1 2 2 ASP C C 2 173.678 173.678 175.163 -1.485 25793 1236 1 4 . 1 1 2 2 ASP CA C 2 51.357 51.357 54.559 -3.202 25793 1237 1 4 . 1 1 2 2 ASP CB C 2 39.114 39.114 41.952 -2.838 25793 1238 1 4 . 1 1 3 3 SER N N 3 118.993 118.993 114.699 4.294 25793 1239 1 4 . 1 1 3 3 SER HA H 3 4.237 4.237 4.708 -0.471 25793 1240 1 4 . 1 1 3 3 SER C C 3 173.240 173.240 173.545 -0.305 25793 1241 1 4 . 1 1 3 3 SER CA C 3 57.300 57.300 57.874 -0.574 25793 1242 1 4 . 1 1 3 3 SER CB C 3 60.653 60.653 65.502 -4.849 25793 1243 1 4 . 1 1 3 3 SER H H 3 8.745 8.745 7.724 1.021 25793 1244 1 4 . 1 1 4 4 ASN N N 4 122.369 122.369 123.961 -1.592 25793 1245 1 4 . 1 1 4 4 ASN HA H 4 4.576 4.576 4.751 -0.175 25793 1246 1 4 . 1 1 4 4 ASN C C 4 176.101 176.101 176.607 -0.506 25793 1247 1 4 . 1 1 4 4 ASN CA C 4 52.488 52.488 54.563 -2.075 25793 1248 1 4 . 1 1 4 4 ASN CB C 4 33.507 33.507 38.818 -5.311 25793 1249 1 4 . 1 1 4 4 ASN H H 4 8.865 8.865 8.863 0.002 25793 1250 1 4 . 1 1 5 5 THR N N 5 122.349 122.349 113.380 8.969 25793 1251 1 4 . 1 1 5 5 THR HA H 5 4.330 4.330 4.267 0.063 25793 1252 1 4 . 1 1 5 5 THR C C 5 174.576 174.576 175.743 -1.167 25793 1253 1 4 . 1 1 5 5 THR CA C 5 63.330 63.330 64.691 -1.361 25793 1254 1 4 . 1 1 5 5 THR CB C 5 66.155 66.155 68.701 -2.546 25793 1255 1 4 . 1 1 5 5 THR H H 5 8.200 8.200 7.964 0.236 25793 1256 1 4 . 1 1 6 6 VAL N N 6 124.255 124.255 119.448 4.807 25793 1257 1 4 . 1 1 6 6 VAL HA H 6 3.480 3.480 4.216 -0.736 25793 1258 1 4 . 1 1 6 6 VAL C C 6 174.988 174.988 177.314 -2.326 25793 1259 1 4 . 1 1 6 6 VAL CA C 6 64.919 64.919 64.510 0.409 25793 1260 1 4 . 1 1 6 6 VAL CB C 6 28.699 28.699 32.354 -3.655 25793 1261 1 4 . 1 1 6 6 VAL H H 6 7.590 7.590 7.318 0.272 25793 1262 1 4 . 1 1 7 7 SER N N 7 116.402 116.402 116.920 -0.518 25793 1263 1 4 . 1 1 7 7 SER HA H 7 4.459 4.459 4.264 0.195 25793 1264 1 4 . 1 1 7 7 SER C C 7 173.494 173.494 176.559 -3.065 25793 1265 1 4 . 1 1 7 7 SER CA C 7 59.174 59.174 61.882 -2.708 25793 1266 1 4 . 1 1 7 7 SER CB C 7 60.020 60.020 62.892 -2.872 25793 1267 1 4 . 1 1 7 7 SER H H 7 8.721 8.721 7.898 0.823 25793 1268 1 4 . 1 1 8 8 SER N N 8 116.463 116.463 117.075 -0.612 25793 1269 1 4 . 1 1 8 8 SER HA H 8 3.745 3.745 4.325 -0.580 25793 1270 1 4 . 1 1 8 8 SER C C 8 171.540 171.540 175.899 -4.359 25793 1271 1 4 . 1 1 8 8 SER CA C 8 60.322 60.322 61.268 -0.946 25793 1272 1 4 . 1 1 8 8 SER CB C 8 60.785 60.785 63.271 -2.486 25793 1273 1 4 . 1 1 8 8 SER H H 8 8.213 8.213 7.821 0.392 25793 1274 1 4 . 1 1 9 9 PHE N N 9 121.530 121.530 122.948 -1.418 25793 1275 1 4 . 1 1 9 9 PHE HA H 9 4.405 4.405 4.510 -0.105 25793 1276 1 4 . 1 1 9 9 PHE C C 9 174.481 174.481 176.779 -2.298 25793 1277 1 4 . 1 1 9 9 PHE CA C 9 58.488 58.488 60.200 -1.712 25793 1278 1 4 . 1 1 9 9 PHE CB C 9 36.397 36.397 39.517 -3.120 25793 1279 1 4 . 1 1 9 9 PHE H H 9 7.387 7.387 7.327 0.060 25793 1280 1 4 . 1 1 10 10 GLN N N 10 119.460 119.460 119.279 0.181 25793 1281 1 4 . 1 1 10 10 GLN HA H 10 3.516 3.516 3.796 -0.280 25793 1282 1 4 . 1 1 10 10 GLN C C 10 176.083 176.083 178.562 -2.479 25793 1283 1 4 . 1 1 10 10 GLN CA C 10 56.595 56.595 59.225 -2.630 25793 1284 1 4 . 1 1 10 10 GLN CB C 10 23.672 23.672 28.809 -5.137 25793 1285 1 4 . 1 1 10 10 GLN H H 10 8.335 8.335 8.028 0.307 25793 1286 1 4 . 1 1 11 11 VAL N N 11 119.513 119.513 119.492 0.021 25793 1287 1 4 . 1 1 11 11 VAL HA H 11 3.300 3.300 3.778 -0.478 25793 1288 1 4 . 1 1 11 11 VAL C C 11 174.535 174.535 177.404 -2.869 25793 1289 1 4 . 1 1 11 11 VAL CA C 11 65.180 65.180 65.531 -0.351 25793 1290 1 4 . 1 1 11 11 VAL CB C 11 28.300 28.300 31.337 -3.037 25793 1291 1 4 . 1 1 11 11 VAL H H 11 8.127 8.127 7.954 0.173 25793 1292 1 4 . 1 1 12 12 ASP N N 12 120.959 120.959 120.907 0.052 25793 1293 1 4 . 1 1 12 12 ASP HA H 12 4.414 4.414 4.472 -0.058 25793 1294 1 4 . 1 1 12 12 ASP C C 12 177.940 177.940 178.504 -0.564 25793 1295 1 4 . 1 1 12 12 ASP CA C 12 55.349 55.349 57.816 -2.467 25793 1296 1 4 . 1 1 12 12 ASP CB C 12 37.275 37.275 40.689 -3.414 25793 1297 1 4 . 1 1 12 12 ASP H H 12 8.116 8.116 7.674 0.442 25793 1298 1 4 . 1 1 13 13 CYS N N 13 119.479 119.479 118.389 1.090 25793 1299 1 4 . 1 1 13 13 CYS HA H 13 4.015 4.015 4.089 -0.074 25793 1300 1 4 . 1 1 13 13 CYS C C 13 175.349 175.349 176.573 -1.224 25793 1301 1 4 . 1 1 13 13 CYS CA C 13 62.384 62.384 63.798 -1.414 25793 1302 1 4 . 1 1 13 13 CYS CB C 13 23.610 23.610 27.449 -3.839 25793 1303 1 4 . 1 1 13 13 CYS H H 13 8.448 8.448 7.849 0.599 25793 1304 1 4 . 1 1 14 14 PHE N N 14 121.085 121.085 121.473 -0.388 25793 1305 1 4 . 1 1 14 14 PHE HA H 14 4.460 4.460 4.287 0.173 25793 1306 1 4 . 1 1 14 14 PHE C C 14 174.143 174.143 176.980 -2.837 25793 1307 1 4 . 1 1 14 14 PHE CA C 14 59.902 59.902 60.935 -1.033 25793 1308 1 4 . 1 1 14 14 PHE CB C 14 35.907 35.907 38.960 -3.053 25793 1309 1 4 . 1 1 14 14 PHE H H 14 8.244 8.244 7.619 0.625 25793 1310 1 4 . 1 1 15 15 LEU N N 15 118.069 118.069 119.454 -1.385 25793 1311 1 4 . 1 1 15 15 LEU HA H 15 3.735 3.735 3.777 -0.042 25793 1312 1 4 . 1 1 15 15 LEU C C 15 176.261 176.261 178.704 -2.443 25793 1313 1 4 . 1 1 15 15 LEU CA C 15 55.494 55.494 58.819 -3.325 25793 1314 1 4 . 1 1 15 15 LEU CB C 15 36.676 36.676 41.648 -4.972 25793 1315 1 4 . 1 1 15 15 LEU H H 15 9.072 9.072 8.002 1.070 25793 1316 1 4 . 1 1 16 16 TRP N N 16 120.587 120.587 120.340 0.247 25793 1317 1 4 . 1 1 16 16 TRP HA H 16 3.660 3.660 4.224 -0.564 25793 1318 1 4 . 1 1 16 16 TRP C C 16 173.925 173.925 177.930 -4.005 25793 1319 1 4 . 1 1 16 16 TRP CA C 16 61.127 61.127 61.876 -0.749 25793 1320 1 4 . 1 1 16 16 TRP CB C 16 26.247 26.247 29.557 -3.310 25793 1321 1 4 . 1 1 16 16 TRP H H 16 8.142 8.142 8.574 -0.432 25793 1322 1 4 . 1 1 17 17 HIS N N 17 117.927 117.927 118.279 -0.352 25793 1323 1 4 . 1 1 17 17 HIS HA H 17 4.022 4.022 4.272 -0.250 25793 1324 1 4 . 1 1 17 17 HIS C C 17 173.650 173.650 176.832 -3.182 25793 1325 1 4 . 1 1 17 17 HIS CA C 17 57.350 57.350 59.473 -2.123 25793 1326 1 4 . 1 1 17 17 HIS CB C 17 25.231 25.231 29.939 -4.708 25793 1327 1 4 . 1 1 17 17 HIS H H 17 7.697 7.697 7.676 0.021 25793 1328 1 4 . 1 1 18 18 VAL N N 18 118.787 118.787 119.045 -0.258 25793 1329 1 4 . 1 1 18 18 VAL HA H 18 2.949 2.949 3.483 -0.534 25793 1330 1 4 . 1 1 18 18 VAL C C 18 174.321 174.321 177.757 -3.436 25793 1331 1 4 . 1 1 18 18 VAL CA C 18 64.400 64.400 65.815 -1.415 25793 1332 1 4 . 1 1 18 18 VAL CB C 18 28.400 28.400 31.490 -3.090 25793 1333 1 4 . 1 1 18 18 VAL H H 18 7.651 7.651 7.573 0.078 25793 1334 1 4 . 1 1 19 19 ARG N N 19 118.108 118.108 118.747 -0.639 25793 1335 1 4 . 1 1 19 19 ARG HA H 19 3.661 3.661 4.209 -0.548 25793 1336 1 4 . 1 1 19 19 ARG C C 19 174.575 174.575 178.554 -3.979 25793 1337 1 4 . 1 1 19 19 ARG CA C 19 57.558 57.558 59.381 -1.823 25793 1338 1 4 . 1 1 19 19 ARG CB C 19 28.140 28.140 30.108 -1.968 25793 1339 1 4 . 1 1 19 19 ARG H H 19 7.602 7.602 7.645 -0.043 25793 1340 1 4 . 1 1 20 20 LYS N N 20 121.889 121.889 118.863 3.026 25793 1341 1 4 . 1 1 20 20 LYS HA H 20 3.530 3.530 4.010 -0.480 25793 1342 1 4 . 1 1 20 20 LYS C C 20 174.970 174.970 178.758 -3.788 25793 1343 1 4 . 1 1 20 20 LYS CA C 20 55.292 55.292 57.656 -2.364 25793 1344 1 4 . 1 1 20 20 LYS CB C 20 28.420 28.420 31.807 -3.387 25793 1345 1 4 . 1 1 20 20 LYS H H 20 8.304 8.304 7.815 0.489 25793 1346 1 4 . 1 1 21 21 ARG N N 21 118.825 118.825 118.296 0.529 25793 1347 1 4 . 1 1 21 21 ARG HA H 21 3.915 3.915 4.090 -0.175 25793 1348 1 4 . 1 1 21 21 ARG C C 21 176.513 176.513 177.258 -0.745 25793 1349 1 4 . 1 1 21 21 ARG CA C 21 55.003 55.003 58.269 -3.266 25793 1350 1 4 . 1 1 21 21 ARG CB C 21 26.002 26.002 30.226 -4.224 25793 1351 1 4 . 1 1 21 21 ARG H H 21 7.772 7.772 7.401 0.371 25793 1352 1 4 . 1 1 22 22 PHE N N 22 120.501 120.501 119.553 0.948 25793 1353 1 4 . 1 1 22 22 PHE HA H 22 3.899 3.899 4.283 -0.384 25793 1354 1 4 . 1 1 22 22 PHE C C 22 173.880 173.880 176.052 -2.172 25793 1355 1 4 . 1 1 22 22 PHE CA C 22 58.542 58.542 60.522 -1.980 25793 1356 1 4 . 1 1 22 22 PHE CB C 22 35.961 35.961 39.620 -3.659 25793 1357 1 4 . 1 1 22 22 PHE H H 22 7.799 7.799 7.481 0.318 25793 1358 1 4 . 1 1 23 23 ALA N N 23 123.040 123.040 120.834 2.206 25793 1359 1 4 . 1 1 23 23 ALA HA H 23 3.720 3.720 3.874 -0.154 25793 1360 1 4 . 1 1 23 23 ALA C C 23 179.545 179.545 179.682 -0.137 25793 1361 1 4 . 1 1 23 23 ALA CA C 23 51.750 51.750 55.061 -3.311 25793 1362 1 4 . 1 1 23 23 ALA CB C 23 15.970 15.970 18.203 -2.233 25793 1363 1 4 . 1 1 23 23 ALA H H 23 8.627 8.627 8.053 0.574 25793 1364 1 4 . 1 1 24 24 ASP N N 24 121.514 121.514 117.516 3.998 25793 1365 1 4 . 1 1 24 24 ASP HA H 24 4.323 4.323 4.497 -0.174 25793 1366 1 4 . 1 1 24 24 ASP C C 24 175.020 175.020 177.352 -2.332 25793 1367 1 4 . 1 1 24 24 ASP CA C 24 53.645 53.645 56.168 -2.523 25793 1368 1 4 . 1 1 24 24 ASP CB C 24 37.158 37.158 40.969 -3.811 25793 1369 1 4 . 1 1 24 24 ASP H H 24 8.846 8.846 7.833 1.013 25793 1370 1 4 . 1 1 25 25 GLN N N 25 118.127 118.127 117.787 0.340 25793 1371 1 4 . 1 1 25 25 GLN HA H 25 4.159 4.159 4.303 -0.143 25793 1372 1 4 . 1 1 25 25 GLN C C 25 171.680 171.680 175.073 -3.393 25793 1373 1 4 . 1 1 25 25 GLN CA C 25 53.101 53.101 55.679 -2.579 25793 1374 1 4 . 1 1 25 25 GLN CB C 25 25.351 25.351 29.095 -3.744 25793 1375 1 4 . 1 1 25 25 GLN H H 25 7.192 7.192 7.400 -0.208 25793 1376 1 4 . 1 1 26 26 GLU N N 26 112.361 112.361 116.409 -4.048 25793 1377 1 4 . 1 1 26 26 GLU HA H 26 3.906 3.906 3.884 0.022 25793 1378 1 4 . 1 1 26 26 GLU C C 26 173.060 173.060 175.965 -2.905 25793 1379 1 4 . 1 1 26 26 GLU CA C 26 54.352 54.352 57.746 -3.394 25793 1380 1 4 . 1 1 26 26 GLU CB C 26 22.759 22.759 28.212 -5.453 25793 1381 1 4 . 1 1 26 26 GLU H H 26 7.975 7.975 7.911 0.064 25793 1382 1 4 . 1 1 27 27 LEU N N 27 115.873 115.873 118.078 -2.205 25793 1383 1 4 . 1 1 27 27 LEU HA H 27 4.043 4.043 4.233 -0.190 25793 1384 1 4 . 1 1 27 27 LEU C C 27 172.610 172.610 176.195 -3.585 25793 1385 1 4 . 1 1 27 27 LEU CA C 27 50.921 50.921 54.418 -3.497 25793 1386 1 4 . 1 1 27 27 LEU CB C 27 40.359 40.359 42.052 -1.693 25793 1387 1 4 . 1 1 27 27 LEU H H 27 5.781 5.781 7.263 -1.482 25793 1388 1 4 . 1 1 28 28 GLY N N 28 103.011 103.011 107.776 -4.765 25793 1389 1 4 . 1 1 28 28 GLY C C 28 172.297 172.297 173.845 -1.548 25793 1390 1 4 . 1 1 28 28 GLY CA C 28 41.348 41.348 44.324 -2.976 25793 1391 1 4 . 1 1 28 28 GLY H H 28 7.785 7.785 7.590 0.195 25793 1392 1 4 . 1 1 29 29 ASP N N 29 122.671 122.671 123.925 -1.254 25793 1393 1 4 . 1 1 29 29 ASP HA H 29 4.720 4.720 4.788 -0.068 25793 1394 1 4 . 1 1 29 29 ASP C C 29 172.137 172.137 177.053 -4.916 25793 1395 1 4 . 1 1 29 29 ASP CA C 29 48.748 48.748 53.292 -4.545 25793 1396 1 4 . 1 1 29 29 ASP CB C 29 38.519 38.519 43.615 -5.096 25793 1397 1 4 . 1 1 29 29 ASP H H 29 7.515 7.515 7.890 -0.375 25793 1398 1 4 . 1 1 30 30 ALA N N 30 119.757 119.757 123.085 -3.328 25793 1399 1 4 . 1 1 30 30 ALA HA H 30 4.240 4.240 4.251 -0.011 25793 1400 1 4 . 1 1 30 30 ALA CA C 30 54.400 54.400 56.612 -2.212 25793 1401 1 4 . 1 1 30 30 ALA CB C 30 12.540 12.540 17.146 -4.606 25793 1402 1 4 . 1 1 30 30 ALA H H 30 8.492 8.492 8.663 -0.171 25793 1403 1 4 . 1 1 31 31 PRO HA H 31 4.361 4.361 4.220 0.141 25793 1404 1 4 . 1 1 31 31 PRO C C 31 175.699 175.699 178.675 -2.976 25793 1405 1 4 . 1 1 31 31 PRO CA C 31 63.220 63.220 65.698 -2.478 25793 1406 1 4 . 1 1 31 31 PRO CB C 31 28.336 28.336 31.422 -3.086 25793 1407 1 4 . 1 1 32 32 PHE N N 32 119.824 119.824 117.610 2.214 25793 1408 1 4 . 1 1 32 32 PHE HA H 32 3.885 3.885 4.370 -0.485 25793 1409 1 4 . 1 1 32 32 PHE C C 32 176.949 176.949 177.417 -0.468 25793 1410 1 4 . 1 1 32 32 PHE CA C 32 59.685 59.685 61.596 -1.911 25793 1411 1 4 . 1 1 32 32 PHE CB C 32 36.778 36.778 39.013 -2.235 25793 1412 1 4 . 1 1 32 32 PHE H H 32 7.949 7.949 8.070 -0.121 25793 1413 1 4 . 1 1 33 33 LEU N N 33 121.755 121.755 119.530 2.225 25793 1414 1 4 . 1 1 33 33 LEU HA H 33 4.063 4.063 3.979 0.084 25793 1415 1 4 . 1 1 33 33 LEU C C 33 176.490 176.490 178.469 -1.979 25793 1416 1 4 . 1 1 33 33 LEU CA C 33 54.968 54.968 58.092 -3.124 25793 1417 1 4 . 1 1 33 33 LEU CB C 33 38.335 38.335 41.912 -3.577 25793 1418 1 4 . 1 1 33 33 LEU H H 33 8.386 8.386 7.765 0.621 25793 1419 1 4 . 1 1 34 34 ASP N N 34 121.771 121.771 120.032 1.739 25793 1420 1 4 . 1 1 34 34 ASP HA H 34 4.399 4.399 4.343 0.056 25793 1421 1 4 . 1 1 34 34 ASP C C 34 176.196 176.196 178.846 -2.650 25793 1422 1 4 . 1 1 34 34 ASP CA C 34 54.871 54.871 58.386 -3.515 25793 1423 1 4 . 1 1 34 34 ASP CB C 34 38.471 38.471 40.740 -2.269 25793 1424 1 4 . 1 1 34 34 ASP H H 34 8.252 8.252 8.119 0.133 25793 1425 1 4 . 1 1 35 35 ARG N N 35 119.119 119.119 119.399 -0.280 25793 1426 1 4 . 1 1 35 35 ARG HA H 35 3.818 3.818 4.006 -0.188 25793 1427 1 4 . 1 1 35 35 ARG C C 35 175.752 175.752 178.675 -2.923 25793 1428 1 4 . 1 1 35 35 ARG CA C 35 57.302 57.302 59.016 -1.714 25793 1429 1 4 . 1 1 35 35 ARG CB C 35 27.486 27.486 30.250 -2.764 25793 1430 1 4 . 1 1 35 35 ARG H H 35 8.197 8.197 7.400 0.797 25793 1431 1 4 . 1 1 36 36 LEU N N 36 120.940 120.940 120.250 0.690 25793 1432 1 4 . 1 1 36 36 LEU HA H 36 3.872 3.872 4.086 -0.214 25793 1433 1 4 . 1 1 36 36 LEU C C 36 177.676 177.676 179.290 -1.614 25793 1434 1 4 . 1 1 36 36 LEU CA C 36 55.818 55.818 58.041 -2.223 25793 1435 1 4 . 1 1 36 36 LEU CB C 36 40.156 40.156 41.479 -1.323 25793 1436 1 4 . 1 1 36 36 LEU H H 36 7.735 7.735 8.133 -0.398 25793 1437 1 4 . 1 1 37 37 ARG N N 37 120.596 120.596 117.645 2.951 25793 1438 1 4 . 1 1 37 37 ARG HA H 37 4.241 4.241 4.063 0.178 25793 1439 1 4 . 1 1 37 37 ARG C C 37 174.571 174.571 178.976 -4.405 25793 1440 1 4 . 1 1 37 37 ARG CA C 37 56.891 56.891 59.833 -2.942 25793 1441 1 4 . 1 1 37 37 ARG CB C 37 27.936 27.936 30.038 -2.102 25793 1442 1 4 . 1 1 37 37 ARG H H 37 8.006 8.006 7.816 0.190 25793 1443 1 4 . 1 1 38 38 ARG N N 38 121.436 121.436 118.928 2.508 25793 1444 1 4 . 1 1 38 38 ARG HA H 38 3.987 3.987 4.075 -0.088 25793 1445 1 4 . 1 1 38 38 ARG C C 38 177.290 177.290 178.176 -0.886 25793 1446 1 4 . 1 1 38 38 ARG CA C 38 57.131 57.131 59.044 -1.913 25793 1447 1 4 . 1 1 38 38 ARG CB C 38 27.450 27.450 30.219 -2.769 25793 1448 1 4 . 1 1 38 38 ARG H H 38 8.307 8.307 7.599 0.708 25793 1449 1 4 . 1 1 39 39 ASP N N 39 120.034 120.034 117.663 2.371 25793 1450 1 4 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.699 -0.170 25793 1451 1 4 . 1 1 39 39 ASP C C 39 174.864 174.864 177.874 -3.010 25793 1452 1 4 . 1 1 39 39 ASP CA C 39 53.700 53.700 56.819 -3.119 25793 1453 1 4 . 1 1 39 39 ASP CB C 39 37.158 37.158 41.394 -4.236 25793 1454 1 4 . 1 1 39 39 ASP H H 39 8.737 8.737 7.770 0.967 25793 1455 1 4 . 1 1 40 40 GLN N N 40 121.853 121.853 120.583 1.270 25793 1456 1 4 . 1 1 40 40 GLN HA H 40 2.999 2.999 3.947 -0.948 25793 1457 1 4 . 1 1 40 40 GLN C C 40 175.010 175.010 177.791 -2.781 25793 1458 1 4 . 1 1 40 40 GLN CA C 40 56.747 56.747 59.288 -2.541 25793 1459 1 4 . 1 1 40 40 GLN CB C 40 25.196 25.196 28.836 -3.640 25793 1460 1 4 . 1 1 40 40 GLN H H 40 7.954 7.954 8.082 -0.128 25793 1461 1 4 . 1 1 41 41 LYS N N 41 117.346 117.346 118.871 -1.525 25793 1462 1 4 . 1 1 41 41 LYS HA H 41 3.914 3.914 4.078 -0.164 25793 1463 1 4 . 1 1 41 41 LYS C C 41 177.117 177.117 179.327 -2.210 25793 1464 1 4 . 1 1 41 41 LYS CA C 41 56.689 56.689 59.130 -2.441 25793 1465 1 4 . 1 1 41 41 LYS CB C 41 29.446 29.446 31.976 -2.530 25793 1466 1 4 . 1 1 41 41 LYS H H 41 7.014 7.014 7.646 -0.632 25793 1467 1 4 . 1 1 42 42 SER N N 42 115.844 115.844 116.132 -0.288 25793 1468 1 4 . 1 1 42 42 SER HA H 42 4.262 4.262 4.329 -0.067 25793 1469 1 4 . 1 1 42 42 SER C C 42 175.262 175.262 176.362 -1.100 25793 1470 1 4 . 1 1 42 42 SER CA C 42 58.256 58.256 60.888 -2.632 25793 1471 1 4 . 1 1 42 42 SER CB C 42 59.683 59.683 63.009 -3.326 25793 1472 1 4 . 1 1 42 42 SER H H 42 7.875 7.875 7.704 0.171 25793 1473 1 4 . 1 1 43 43 LEU N N 43 123.254 123.254 123.130 0.124 25793 1474 1 4 . 1 1 43 43 LEU HA H 43 4.082 4.082 4.092 -0.010 25793 1475 1 4 . 1 1 43 43 LEU C C 43 176.505 176.505 178.742 -2.237 25793 1476 1 4 . 1 1 43 43 LEU CA C 43 55.621 55.621 58.611 -2.990 25793 1477 1 4 . 1 1 43 43 LEU CB C 43 38.460 38.460 42.147 -3.687 25793 1478 1 4 . 1 1 43 43 LEU H H 43 8.736 8.736 8.245 0.491 25793 1479 1 4 . 1 1 44 44 ARG N N 44 118.877 118.877 117.701 1.176 25793 1480 1 4 . 1 1 44 44 ARG HA H 44 4.011 4.011 3.991 0.020 25793 1481 1 4 . 1 1 44 44 ARG C C 44 177.379 177.379 178.983 -1.604 25793 1482 1 4 . 1 1 44 44 ARG CA C 44 56.911 56.911 59.511 -2.600 25793 1483 1 4 . 1 1 44 44 ARG CB C 44 26.602 26.602 30.048 -3.446 25793 1484 1 4 . 1 1 44 44 ARG H H 44 7.686 7.686 8.157 -0.471 25793 1485 1 4 . 1 1 45 45 GLY N N 45 107.372 107.372 106.265 1.107 25793 1486 1 4 . 1 1 45 45 GLY C C 45 173.935 173.935 175.775 -1.840 25793 1487 1 4 . 1 1 45 45 GLY CA C 45 44.395 44.395 46.493 -2.098 25793 1488 1 4 . 1 1 45 45 GLY H H 45 7.762 7.762 7.962 -0.200 25793 1489 1 4 . 1 1 46 46 ARG N N 46 123.780 123.780 121.917 1.863 25793 1490 1 4 . 1 1 46 46 ARG HA H 46 3.902 3.902 4.196 -0.294 25793 1491 1 4 . 1 1 46 46 ARG C C 46 175.910 175.910 178.367 -2.457 25793 1492 1 4 . 1 1 46 46 ARG CA C 46 56.375 56.375 58.246 -1.871 25793 1493 1 4 . 1 1 46 46 ARG CB C 46 28.851 28.851 30.174 -1.323 25793 1494 1 4 . 1 1 46 46 ARG H H 46 8.381 8.381 7.510 0.871 25793 1495 1 4 . 1 1 47 47 GLY N N 47 107.330 107.330 106.980 0.350 25793 1496 1 4 . 1 1 47 47 GLY C C 47 173.406 173.406 175.977 -2.571 25793 1497 1 4 . 1 1 47 47 GLY CA C 47 45.429 45.429 46.680 -1.251 25793 1498 1 4 . 1 1 47 47 GLY H H 47 8.782 8.782 7.694 1.088 25793 1499 1 4 . 1 1 48 48 SER N N 48 116.214 116.214 117.730 -1.516 25793 1500 1 4 . 1 1 48 48 SER HA H 48 4.200 4.200 4.137 0.063 25793 1501 1 4 . 1 1 48 48 SER C C 48 174.824 174.824 176.955 -2.131 25793 1502 1 4 . 1 1 48 48 SER CA C 48 58.531 58.531 61.595 -3.064 25793 1503 1 4 . 1 1 48 48 SER CB C 48 59.837 59.837 62.800 -2.963 25793 1504 1 4 . 1 1 48 48 SER H H 48 7.737 7.737 7.669 0.068 25793 1505 1 4 . 1 1 49 49 THR N N 49 118.158 118.158 118.293 -0.135 25793 1506 1 4 . 1 1 49 49 THR HA H 49 3.885 3.885 3.982 -0.097 25793 1507 1 4 . 1 1 49 49 THR C C 49 173.322 173.322 176.319 -2.997 25793 1508 1 4 . 1 1 49 49 THR CA C 49 63.385 63.385 65.063 -1.678 25793 1509 1 4 . 1 1 49 49 THR CB C 49 65.997 65.997 68.717 -2.720 25793 1510 1 4 . 1 1 49 49 THR H H 49 7.784 7.784 7.463 0.321 25793 1511 1 4 . 1 1 50 50 LEU N N 50 118.727 118.727 120.402 -1.675 25793 1512 1 4 . 1 1 50 50 LEU HA H 50 4.050 4.050 4.308 -0.258 25793 1513 1 4 . 1 1 50 50 LEU C C 50 174.153 174.153 177.585 -3.432 25793 1514 1 4 . 1 1 50 50 LEU CA C 50 52.580 52.580 54.928 -2.348 25793 1515 1 4 . 1 1 50 50 LEU CB C 50 39.994 39.994 42.403 -2.409 25793 1516 1 4 . 1 1 50 50 LEU H H 50 7.734 7.734 7.624 0.110 25793 1517 1 4 . 1 1 51 51 GLY N N 51 108.894 108.894 107.730 1.164 25793 1518 1 4 . 1 1 51 51 GLY C C 51 171.597 171.597 173.995 -2.398 25793 1519 1 4 . 1 1 51 51 GLY CA C 51 43.400 43.400 45.266 -1.866 25793 1520 1 4 . 1 1 51 51 GLY H H 51 7.698 7.698 7.690 0.008 25793 1521 1 4 . 1 1 52 52 LEU N N 52 119.252 119.252 120.179 -0.927 25793 1522 1 4 . 1 1 52 52 LEU HA H 52 4.638 4.638 4.600 0.038 25793 1523 1 4 . 1 1 52 52 LEU C C 52 172.244 172.244 176.332 -4.088 25793 1524 1 4 . 1 1 52 52 LEU CA C 52 50.261 50.261 54.264 -4.003 25793 1525 1 4 . 1 1 52 52 LEU CB C 52 42.411 42.411 44.860 -2.449 25793 1526 1 4 . 1 1 52 52 LEU H H 52 7.661 7.661 7.601 0.060 25793 1527 1 4 . 1 1 53 53 ASP N N 53 121.433 121.433 124.615 -3.182 25793 1528 1 4 . 1 1 53 53 ASP HA H 53 4.658 4.658 4.677 -0.019 25793 1529 1 4 . 1 1 53 53 ASP C C 53 174.204 174.204 177.207 -3.003 25793 1530 1 4 . 1 1 53 53 ASP CA C 53 50.435 50.435 55.154 -4.719 25793 1531 1 4 . 1 1 53 53 ASP CB C 53 40.206 40.206 41.922 -1.716 25793 1532 1 4 . 1 1 53 53 ASP H H 53 8.127 8.127 8.558 -0.431 25793 1533 1 4 . 1 1 54 54 ILE N N 54 125.804 125.804 126.966 -1.162 25793 1534 1 4 . 1 1 54 54 ILE HA H 54 3.797 3.797 3.718 0.079 25793 1535 1 4 . 1 1 54 54 ILE C C 54 176.613 176.613 177.206 -0.593 25793 1536 1 4 . 1 1 54 54 ILE CA C 54 62.133 62.133 64.176 -2.043 25793 1537 1 4 . 1 1 54 54 ILE CB C 54 35.036 35.036 38.615 -3.579 25793 1538 1 4 . 1 1 54 54 ILE H H 54 8.788 8.788 8.777 0.011 25793 1539 1 4 . 1 1 55 55 GLU N N 55 125.797 125.797 118.622 7.175 25793 1540 1 4 . 1 1 55 55 GLU HA H 55 4.009 4.009 4.006 0.003 25793 1541 1 4 . 1 1 55 55 GLU C C 55 176.730 176.730 178.827 -2.097 25793 1542 1 4 . 1 1 55 55 GLU CA C 55 57.998 57.998 59.861 -1.863 25793 1543 1 4 . 1 1 55 55 GLU CB C 55 25.895 25.895 28.790 -2.894 25793 1544 1 4 . 1 1 55 55 GLU H H 55 8.945 8.945 8.674 0.271 25793 1545 1 4 . 1 1 56 56 THR N N 56 117.286 117.286 114.015 3.271 25793 1546 1 4 . 1 1 56 56 THR HA H 56 3.817 3.817 4.129 -0.312 25793 1547 1 4 . 1 1 56 56 THR C C 56 174.617 174.617 175.687 -1.070 25793 1548 1 4 . 1 1 56 56 THR CA C 56 63.766 63.766 65.120 -1.353 25793 1549 1 4 . 1 1 56 56 THR CB C 56 65.452 65.452 68.252 -2.800 25793 1550 1 4 . 1 1 56 56 THR H H 56 8.240 8.240 8.173 0.067 25793 1551 1 4 . 1 1 57 57 ALA N N 57 125.072 125.072 122.980 2.092 25793 1552 1 4 . 1 1 57 57 ALA HA H 57 4.230 4.230 4.177 0.053 25793 1553 1 4 . 1 1 57 57 ALA C C 57 176.346 176.346 179.000 -2.654 25793 1554 1 4 . 1 1 57 57 ALA CA C 57 52.650 52.650 54.907 -2.257 25793 1555 1 4 . 1 1 57 57 ALA CB C 57 17.400 17.400 18.256 -0.856 25793 1556 1 4 . 1 1 57 57 ALA H H 57 8.121 8.121 7.881 0.240 25793 1557 1 4 . 1 1 58 58 THR N N 58 115.752 115.752 110.733 5.019 25793 1558 1 4 . 1 1 58 58 THR HA H 58 3.632 3.632 4.171 -0.539 25793 1559 1 4 . 1 1 58 58 THR C C 58 172.862 172.862 176.227 -3.365 25793 1560 1 4 . 1 1 58 58 THR CA C 58 65.100 65.100 65.135 -0.035 25793 1561 1 4 . 1 1 58 58 THR CB C 58 66.100 66.100 68.688 -2.587 25793 1562 1 4 . 1 1 58 58 THR H H 58 8.381 8.381 8.190 0.191 25793 1563 1 4 . 1 1 59 59 ARG N N 59 120.537 120.537 120.913 -0.376 25793 1564 1 4 . 1 1 59 59 ARG HA H 59 3.911 3.911 4.217 -0.306 25793 1565 1 4 . 1 1 59 59 ARG C C 59 176.099 176.099 177.676 -1.577 25793 1566 1 4 . 1 1 59 59 ARG CA C 59 56.616 56.616 58.812 -2.196 25793 1567 1 4 . 1 1 59 59 ARG CB C 59 27.022 27.022 30.492 -3.470 25793 1568 1 4 . 1 1 59 59 ARG H H 59 7.245 7.245 7.394 -0.149 25793 1569 1 4 . 1 1 60 60 ALA N N 60 121.996 121.996 122.533 -0.537 25793 1570 1 4 . 1 1 60 60 ALA HA H 60 4.120 4.120 4.191 -0.071 25793 1571 1 4 . 1 1 60 60 ALA C C 60 178.745 178.745 179.366 -0.621 25793 1572 1 4 . 1 1 60 60 ALA CA C 60 52.000 52.000 54.850 -2.850 25793 1573 1 4 . 1 1 60 60 ALA CB C 60 15.824 15.824 18.553 -2.729 25793 1574 1 4 . 1 1 60 60 ALA H H 60 7.489 7.489 8.157 -0.668 25793 1575 1 4 . 1 1 61 61 GLY N N 61 108.024 108.024 104.925 3.099 25793 1576 1 4 . 1 1 61 61 GLY C C 61 171.515 171.515 175.283 -3.768 25793 1577 1 4 . 1 1 61 61 GLY CA C 61 43.797 43.797 46.092 -2.295 25793 1578 1 4 . 1 1 61 61 GLY H H 61 8.721 8.721 8.144 0.577 25793 1579 1 4 . 1 1 62 62 LYS N N 62 123.393 123.393 121.256 2.137 25793 1580 1 4 . 1 1 62 62 LYS HA H 62 1.780 1.780 2.564 -0.784 25793 1581 1 4 . 1 1 62 62 LYS C C 62 174.612 174.612 178.283 -3.671 25793 1582 1 4 . 1 1 62 62 LYS CA C 62 56.683 56.683 58.949 -2.266 25793 1583 1 4 . 1 1 62 62 LYS CB C 62 29.920 29.920 32.005 -2.085 25793 1584 1 4 . 1 1 62 62 LYS H H 62 7.683 7.683 7.406 0.277 25793 1585 1 4 . 1 1 63 63 GLN N N 63 114.582 114.582 116.498 -1.916 25793 1586 1 4 . 1 1 63 63 GLN HA H 63 3.920 3.920 3.997 -0.077 25793 1587 1 4 . 1 1 63 63 GLN C C 63 176.294 176.294 178.670 -2.376 25793 1588 1 4 . 1 1 63 63 GLN CA C 63 55.604 55.604 58.380 -2.776 25793 1589 1 4 . 1 1 63 63 GLN CB C 63 25.557 25.557 28.820 -3.263 25793 1590 1 4 . 1 1 63 63 GLN H H 63 6.637 6.637 7.431 -0.794 25793 1591 1 4 . 1 1 64 64 ILE N N 64 119.051 119.051 117.011 2.040 25793 1592 1 4 . 1 1 64 64 ILE HA H 64 3.571 3.571 3.892 -0.321 25793 1593 1 4 . 1 1 64 64 ILE C C 64 175.402 175.402 177.002 -1.600 25793 1594 1 4 . 1 1 64 64 ILE CA C 64 62.529 62.529 63.538 -1.009 25793 1595 1 4 . 1 1 64 64 ILE CB C 64 36.198 36.198 37.942 -1.744 25793 1596 1 4 . 1 1 64 64 ILE H H 64 7.092 7.092 7.269 -0.177 25793 1597 1 4 . 1 1 65 65 VAL N N 65 118.800 118.800 119.977 -1.177 25793 1598 1 4 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.864 -0.478 25793 1599 1 4 . 1 1 65 65 VAL C C 65 174.546 174.546 176.923 -2.377 25793 1600 1 4 . 1 1 65 65 VAL CA C 65 64.500 64.500 65.129 -0.629 25793 1601 1 4 . 1 1 65 65 VAL CB C 65 28.300 28.300 32.462 -4.162 25793 1602 1 4 . 1 1 65 65 VAL H H 65 8.103 8.103 7.126 0.977 25793 1603 1 4 . 1 1 66 66 GLU N N 66 118.966 118.966 119.351 -0.385 25793 1604 1 4 . 1 1 66 66 GLU HA H 66 3.810 3.810 3.938 -0.128 25793 1605 1 4 . 1 1 66 66 GLU C C 66 176.292 176.292 179.598 -3.306 25793 1606 1 4 . 1 1 66 66 GLU CA C 66 57.618 57.618 59.570 -1.952 25793 1607 1 4 . 1 1 66 66 GLU CB C 66 26.391 26.391 29.588 -3.197 25793 1608 1 4 . 1 1 66 66 GLU H H 66 8.654 8.654 7.613 1.041 25793 1609 1 4 . 1 1 67 67 ARG N N 67 118.499 118.499 118.886 -0.387 25793 1610 1 4 . 1 1 67 67 ARG HA H 67 3.990 3.990 4.023 -0.033 25793 1611 1 4 . 1 1 67 67 ARG C C 67 176.039 176.039 178.872 -2.833 25793 1612 1 4 . 1 1 67 67 ARG CA C 67 56.996 56.996 58.691 -1.695 25793 1613 1 4 . 1 1 67 67 ARG CB C 67 26.783 26.783 29.827 -3.044 25793 1614 1 4 . 1 1 67 67 ARG H H 67 7.270 7.270 8.355 -1.085 25793 1615 1 4 . 1 1 68 68 ILE N N 68 120.031 120.031 117.870 2.161 25793 1616 1 4 . 1 1 68 68 ILE HA H 68 3.721 3.721 3.796 -0.075 25793 1617 1 4 . 1 1 68 68 ILE C C 68 176.061 176.061 176.264 -0.203 25793 1618 1 4 . 1 1 68 68 ILE CA C 68 61.970 61.970 63.842 -1.872 25793 1619 1 4 . 1 1 68 68 ILE CB C 68 35.254 35.254 37.881 -2.627 25793 1620 1 4 . 1 1 68 68 ILE H H 68 7.569 7.569 7.852 -0.283 25793 1621 1 4 . 1 1 69 69 LEU N N 69 118.859 118.859 117.328 1.531 25793 1622 1 4 . 1 1 69 69 LEU HA H 69 4.127 4.127 4.165 -0.038 25793 1623 1 4 . 1 1 69 69 LEU C C 69 176.859 176.859 178.428 -1.569 25793 1624 1 4 . 1 1 69 69 LEU CA C 69 54.525 54.525 56.620 -2.095 25793 1625 1 4 . 1 1 69 69 LEU CB C 69 38.150 38.150 42.540 -4.390 25793 1626 1 4 . 1 1 69 69 LEU H H 69 8.305 8.305 7.398 0.907 25793 1627 1 4 . 1 1 70 70 LYS N N 70 119.685 119.685 118.623 1.062 25793 1628 1 4 . 1 1 70 70 LYS HA H 70 4.098 4.098 4.178 -0.080 25793 1629 1 4 . 1 1 70 70 LYS C C 70 175.484 175.484 178.433 -2.949 25793 1630 1 4 . 1 1 70 70 LYS CA C 70 55.580 55.580 58.337 -2.757 25793 1631 1 4 . 1 1 70 70 LYS CB C 70 29.700 29.700 32.544 -2.844 25793 1632 1 4 . 1 1 70 70 LYS H H 70 7.748 7.748 7.410 0.338 25793 1633 1 4 . 1 1 71 71 GLU N N 71 118.055 118.055 118.748 -0.693 25793 1634 1 4 . 1 1 71 71 GLU HA H 71 4.175 4.175 4.272 -0.097 25793 1635 1 4 . 1 1 71 71 GLU C C 71 174.094 174.094 176.848 -2.754 25793 1636 1 4 . 1 1 71 71 GLU CA C 71 54.411 54.411 57.587 -3.176 25793 1637 1 4 . 1 1 71 71 GLU CB C 71 27.038 27.038 29.221 -2.183 25793 1638 1 4 . 1 1 71 71 GLU H H 71 7.644 7.644 7.912 -0.268 25793 1639 1 4 . 1 1 72 72 GLU N N 72 118.922 118.922 118.219 0.703 25793 1640 1 4 . 1 1 72 72 GLU HA H 72 4.164 4.164 4.394 -0.230 25793 1641 1 4 . 1 1 72 72 GLU C C 72 172.677 172.677 176.774 -4.097 25793 1642 1 4 . 1 1 72 72 GLU CA C 72 53.047 53.047 56.825 -3.779 25793 1643 1 4 . 1 1 72 72 GLU CB C 72 25.297 25.297 30.423 -5.126 25793 1644 1 4 . 1 1 72 72 GLU H H 72 7.603 7.603 8.530 -0.927 25793 1645 1 5 . 1 1 2 2 ASP HA H 2 4.703 4.703 4.955 -0.252 25793 1646 1 5 . 1 1 2 2 ASP C C 2 173.678 173.678 176.590 -2.912 25793 1647 1 5 . 1 1 2 2 ASP CA C 2 51.357 51.357 53.523 -2.166 25793 1648 1 5 . 1 1 2 2 ASP CB C 2 39.114 39.114 43.283 -4.169 25793 1649 1 5 . 1 1 3 3 SER N N 3 118.993 118.993 116.574 2.419 25793 1650 1 5 . 1 1 3 3 SER HA H 3 4.237 4.237 4.485 -0.248 25793 1651 1 5 . 1 1 3 3 SER C C 3 173.240 173.240 175.141 -1.901 25793 1652 1 5 . 1 1 3 3 SER CA C 3 57.300 57.300 59.260 -1.960 25793 1653 1 5 . 1 1 3 3 SER CB C 3 60.653 60.653 63.492 -2.839 25793 1654 1 5 . 1 1 3 3 SER H H 3 8.745 8.745 8.695 0.050 25793 1655 1 5 . 1 1 4 4 ASN N N 4 122.369 122.369 119.676 2.693 25793 1656 1 5 . 1 1 4 4 ASN HA H 4 4.576 4.576 4.750 -0.174 25793 1657 1 5 . 1 1 4 4 ASN C C 4 176.101 176.101 176.918 -0.817 25793 1658 1 5 . 1 1 4 4 ASN CA C 4 52.488 52.488 55.237 -2.749 25793 1659 1 5 . 1 1 4 4 ASN CB C 4 33.507 33.507 38.628 -5.121 25793 1660 1 5 . 1 1 4 4 ASN H H 4 8.865 8.865 8.489 0.376 25793 1661 1 5 . 1 1 5 5 THR N N 5 122.349 122.349 115.368 6.981 25793 1662 1 5 . 1 1 5 5 THR HA H 5 4.330 4.330 4.331 -0.001 25793 1663 1 5 . 1 1 5 5 THR C C 5 174.576 174.576 175.061 -0.485 25793 1664 1 5 . 1 1 5 5 THR CA C 5 63.330 63.330 64.642 -1.312 25793 1665 1 5 . 1 1 5 5 THR CB C 5 66.155 66.155 69.291 -3.136 25793 1666 1 5 . 1 1 5 5 THR H H 5 8.200 8.200 7.598 0.602 25793 1667 1 5 . 1 1 6 6 VAL N N 6 124.255 124.255 120.998 3.257 25793 1668 1 5 . 1 1 6 6 VAL HA H 6 3.480 3.480 4.108 -0.628 25793 1669 1 5 . 1 1 6 6 VAL C C 6 174.988 174.988 177.489 -2.501 25793 1670 1 5 . 1 1 6 6 VAL CA C 6 64.919 64.919 65.034 -0.115 25793 1671 1 5 . 1 1 6 6 VAL CB C 6 28.699 28.699 32.133 -3.434 25793 1672 1 5 . 1 1 6 6 VAL H H 6 7.590 7.590 7.522 0.068 25793 1673 1 5 . 1 1 7 7 SER N N 7 116.402 116.402 116.023 0.379 25793 1674 1 5 . 1 1 7 7 SER HA H 7 4.459 4.459 4.294 0.165 25793 1675 1 5 . 1 1 7 7 SER C C 7 173.494 173.494 176.487 -2.993 25793 1676 1 5 . 1 1 7 7 SER CA C 7 59.174 59.174 62.216 -3.042 25793 1677 1 5 . 1 1 7 7 SER CB C 7 60.020 60.020 62.881 -2.861 25793 1678 1 5 . 1 1 7 7 SER H H 7 8.721 8.721 8.223 0.498 25793 1679 1 5 . 1 1 8 8 SER N N 8 116.463 116.463 117.001 -0.538 25793 1680 1 5 . 1 1 8 8 SER HA H 8 3.745 3.745 4.374 -0.629 25793 1681 1 5 . 1 1 8 8 SER C C 8 171.540 171.540 175.620 -4.080 25793 1682 1 5 . 1 1 8 8 SER CA C 8 60.322 60.322 60.968 -0.646 25793 1683 1 5 . 1 1 8 8 SER CB C 8 60.785 60.785 63.305 -2.520 25793 1684 1 5 . 1 1 8 8 SER H H 8 8.213 8.213 7.840 0.373 25793 1685 1 5 . 1 1 9 9 PHE N N 9 121.530 121.530 123.594 -2.064 25793 1686 1 5 . 1 1 9 9 PHE HA H 9 4.405 4.405 4.523 -0.118 25793 1687 1 5 . 1 1 9 9 PHE C C 9 174.481 174.481 176.483 -2.002 25793 1688 1 5 . 1 1 9 9 PHE CA C 9 58.488 58.488 60.141 -1.653 25793 1689 1 5 . 1 1 9 9 PHE CB C 9 36.397 36.397 39.635 -3.238 25793 1690 1 5 . 1 1 9 9 PHE H H 9 7.387 7.387 7.406 -0.019 25793 1691 1 5 . 1 1 10 10 GLN N N 10 119.460 119.460 119.356 0.104 25793 1692 1 5 . 1 1 10 10 GLN HA H 10 3.516 3.516 3.876 -0.360 25793 1693 1 5 . 1 1 10 10 GLN C C 10 176.083 176.083 178.760 -2.677 25793 1694 1 5 . 1 1 10 10 GLN CA C 10 56.595 56.595 59.071 -2.476 25793 1695 1 5 . 1 1 10 10 GLN CB C 10 23.672 23.672 28.814 -5.142 25793 1696 1 5 . 1 1 10 10 GLN H H 10 8.335 8.335 7.998 0.337 25793 1697 1 5 . 1 1 11 11 VAL N N 11 119.513 119.513 120.094 -0.581 25793 1698 1 5 . 1 1 11 11 VAL HA H 11 3.300 3.300 3.785 -0.485 25793 1699 1 5 . 1 1 11 11 VAL C C 11 174.535 174.535 177.549 -3.014 25793 1700 1 5 . 1 1 11 11 VAL CA C 11 65.180 65.180 66.635 -1.455 25793 1701 1 5 . 1 1 11 11 VAL CB C 11 28.300 28.300 31.853 -3.553 25793 1702 1 5 . 1 1 11 11 VAL H H 11 8.127 8.127 7.741 0.386 25793 1703 1 5 . 1 1 12 12 ASP N N 12 120.959 120.959 120.701 0.258 25793 1704 1 5 . 1 1 12 12 ASP HA H 12 4.414 4.414 4.473 -0.059 25793 1705 1 5 . 1 1 12 12 ASP C C 12 177.940 177.940 178.334 -0.394 25793 1706 1 5 . 1 1 12 12 ASP CA C 12 55.349 55.349 57.973 -2.624 25793 1707 1 5 . 1 1 12 12 ASP CB C 12 37.275 37.275 40.700 -3.425 25793 1708 1 5 . 1 1 12 12 ASP H H 12 8.116 8.116 7.716 0.400 25793 1709 1 5 . 1 1 13 13 CYS N N 13 119.479 119.479 118.449 1.030 25793 1710 1 5 . 1 1 13 13 CYS HA H 13 4.015 4.015 4.139 -0.124 25793 1711 1 5 . 1 1 13 13 CYS C C 13 175.349 175.349 176.565 -1.216 25793 1712 1 5 . 1 1 13 13 CYS CA C 13 62.384 62.384 63.364 -0.980 25793 1713 1 5 . 1 1 13 13 CYS CB C 13 23.610 23.610 26.799 -3.189 25793 1714 1 5 . 1 1 13 13 CYS H H 13 8.448 8.448 7.862 0.586 25793 1715 1 5 . 1 1 14 14 PHE N N 14 121.085 121.085 121.178 -0.093 25793 1716 1 5 . 1 1 14 14 PHE HA H 14 4.460 4.460 4.225 0.235 25793 1717 1 5 . 1 1 14 14 PHE C C 14 174.143 174.143 177.151 -3.008 25793 1718 1 5 . 1 1 14 14 PHE CA C 14 59.902 59.902 60.557 -0.655 25793 1719 1 5 . 1 1 14 14 PHE CB C 14 35.907 35.907 38.961 -3.054 25793 1720 1 5 . 1 1 14 14 PHE H H 14 8.244 8.244 7.614 0.630 25793 1721 1 5 . 1 1 15 15 LEU N N 15 118.069 118.069 119.376 -1.307 25793 1722 1 5 . 1 1 15 15 LEU HA H 15 3.735 3.735 3.735 -0.000 25793 1723 1 5 . 1 1 15 15 LEU C C 15 176.261 176.261 178.858 -2.597 25793 1724 1 5 . 1 1 15 15 LEU CA C 15 55.494 55.494 58.015 -2.521 25793 1725 1 5 . 1 1 15 15 LEU CB C 15 36.676 36.676 41.076 -4.400 25793 1726 1 5 . 1 1 15 15 LEU H H 15 9.072 9.072 8.176 0.896 25793 1727 1 5 . 1 1 16 16 TRP N N 16 120.587 120.587 120.299 0.288 25793 1728 1 5 . 1 1 16 16 TRP HA H 16 3.660 3.660 4.202 -0.542 25793 1729 1 5 . 1 1 16 16 TRP C C 16 173.925 173.925 178.024 -4.099 25793 1730 1 5 . 1 1 16 16 TRP CA C 16 61.127 61.127 61.942 -0.815 25793 1731 1 5 . 1 1 16 16 TRP CB C 16 26.247 26.247 29.532 -3.285 25793 1732 1 5 . 1 1 16 16 TRP H H 16 8.142 8.142 8.571 -0.429 25793 1733 1 5 . 1 1 17 17 HIS N N 17 117.927 117.927 117.651 0.276 25793 1734 1 5 . 1 1 17 17 HIS HA H 17 4.022 4.022 4.421 -0.399 25793 1735 1 5 . 1 1 17 17 HIS C C 17 173.650 173.650 176.483 -2.833 25793 1736 1 5 . 1 1 17 17 HIS CA C 17 57.350 57.350 59.116 -1.766 25793 1737 1 5 . 1 1 17 17 HIS CB C 17 25.231 25.231 30.267 -5.036 25793 1738 1 5 . 1 1 17 17 HIS H H 17 7.697 7.697 7.584 0.113 25793 1739 1 5 . 1 1 18 18 VAL N N 18 118.787 118.787 118.644 0.143 25793 1740 1 5 . 1 1 18 18 VAL HA H 18 2.949 2.949 3.606 -0.657 25793 1741 1 5 . 1 1 18 18 VAL C C 18 174.321 174.321 177.546 -3.225 25793 1742 1 5 . 1 1 18 18 VAL CA C 18 64.400 64.400 65.583 -1.183 25793 1743 1 5 . 1 1 18 18 VAL CB C 18 28.400 28.400 31.735 -3.335 25793 1744 1 5 . 1 1 18 18 VAL H H 18 7.651 7.651 7.407 0.244 25793 1745 1 5 . 1 1 19 19 ARG N N 19 118.108 118.108 118.584 -0.476 25793 1746 1 5 . 1 1 19 19 ARG HA H 19 3.661 3.661 4.210 -0.549 25793 1747 1 5 . 1 1 19 19 ARG C C 19 174.575 174.575 178.286 -3.711 25793 1748 1 5 . 1 1 19 19 ARG CA C 19 57.558 57.558 59.232 -1.674 25793 1749 1 5 . 1 1 19 19 ARG CB C 19 28.140 28.140 30.154 -2.014 25793 1750 1 5 . 1 1 19 19 ARG H H 19 7.602 7.602 7.949 -0.347 25793 1751 1 5 . 1 1 20 20 LYS N N 20 121.889 121.889 119.026 2.863 25793 1752 1 5 . 1 1 20 20 LYS HA H 20 3.530 3.530 3.987 -0.457 25793 1753 1 5 . 1 1 20 20 LYS C C 20 174.970 174.970 178.818 -3.848 25793 1754 1 5 . 1 1 20 20 LYS CA C 20 55.292 55.292 57.805 -2.513 25793 1755 1 5 . 1 1 20 20 LYS CB C 20 28.420 28.420 31.796 -3.376 25793 1756 1 5 . 1 1 20 20 LYS H H 20 8.304 8.304 7.604 0.700 25793 1757 1 5 . 1 1 21 21 ARG N N 21 118.825 118.825 118.483 0.342 25793 1758 1 5 . 1 1 21 21 ARG HA H 21 3.915 3.915 4.138 -0.223 25793 1759 1 5 . 1 1 21 21 ARG C C 21 176.513 176.513 177.273 -0.760 25793 1760 1 5 . 1 1 21 21 ARG CA C 21 55.003 55.003 58.170 -3.167 25793 1761 1 5 . 1 1 21 21 ARG CB C 21 26.002 26.002 29.984 -3.982 25793 1762 1 5 . 1 1 21 21 ARG H H 21 7.772 7.772 7.613 0.159 25793 1763 1 5 . 1 1 22 22 PHE N N 22 120.501 120.501 119.207 1.294 25793 1764 1 5 . 1 1 22 22 PHE HA H 22 3.899 3.899 4.323 -0.424 25793 1765 1 5 . 1 1 22 22 PHE C C 22 173.880 173.880 176.232 -2.352 25793 1766 1 5 . 1 1 22 22 PHE CA C 22 58.542 58.542 60.724 -2.182 25793 1767 1 5 . 1 1 22 22 PHE CB C 22 35.961 35.961 39.811 -3.850 25793 1768 1 5 . 1 1 22 22 PHE H H 22 7.799 7.799 7.597 0.202 25793 1769 1 5 . 1 1 23 23 ALA N N 23 123.040 123.040 120.746 2.294 25793 1770 1 5 . 1 1 23 23 ALA HA H 23 3.720 3.720 4.015 -0.295 25793 1771 1 5 . 1 1 23 23 ALA C C 23 179.545 179.545 179.795 -0.250 25793 1772 1 5 . 1 1 23 23 ALA CA C 23 51.750 51.750 55.234 -3.484 25793 1773 1 5 . 1 1 23 23 ALA CB C 23 15.970 15.970 18.172 -2.202 25793 1774 1 5 . 1 1 23 23 ALA H H 23 8.627 8.627 8.318 0.309 25793 1775 1 5 . 1 1 24 24 ASP N N 24 121.514 121.514 117.755 3.759 25793 1776 1 5 . 1 1 24 24 ASP HA H 24 4.323 4.323 4.510 -0.187 25793 1777 1 5 . 1 1 24 24 ASP C C 24 175.020 175.020 177.359 -2.339 25793 1778 1 5 . 1 1 24 24 ASP CA C 24 53.645 53.645 56.287 -2.642 25793 1779 1 5 . 1 1 24 24 ASP CB C 24 37.158 37.158 40.932 -3.774 25793 1780 1 5 . 1 1 24 24 ASP H H 24 8.846 8.846 8.021 0.825 25793 1781 1 5 . 1 1 25 25 GLN N N 25 118.127 118.127 117.608 0.519 25793 1782 1 5 . 1 1 25 25 GLN HA H 25 4.159 4.159 4.310 -0.151 25793 1783 1 5 . 1 1 25 25 GLN C C 25 171.680 171.680 174.972 -3.292 25793 1784 1 5 . 1 1 25 25 GLN CA C 25 53.101 53.101 55.702 -2.600 25793 1785 1 5 . 1 1 25 25 GLN CB C 25 25.351 25.351 29.645 -4.294 25793 1786 1 5 . 1 1 25 25 GLN H H 25 7.192 7.192 7.476 -0.284 25793 1787 1 5 . 1 1 26 26 GLU N N 26 112.361 112.361 117.247 -4.886 25793 1788 1 5 . 1 1 26 26 GLU HA H 26 3.906 3.906 3.845 0.061 25793 1789 1 5 . 1 1 26 26 GLU C C 26 173.060 173.060 175.752 -2.692 25793 1790 1 5 . 1 1 26 26 GLU CA C 26 54.352 54.352 57.401 -3.049 25793 1791 1 5 . 1 1 26 26 GLU CB C 26 22.759 22.759 27.655 -4.896 25793 1792 1 5 . 1 1 26 26 GLU H H 26 7.975 7.975 7.800 0.175 25793 1793 1 5 . 1 1 27 27 LEU N N 27 115.873 115.873 117.313 -1.440 25793 1794 1 5 . 1 1 27 27 LEU HA H 27 4.043 4.043 4.279 -0.236 25793 1795 1 5 . 1 1 27 27 LEU C C 27 172.610 172.610 176.082 -3.472 25793 1796 1 5 . 1 1 27 27 LEU CA C 27 50.921 50.921 54.236 -3.315 25793 1797 1 5 . 1 1 27 27 LEU CB C 27 40.359 40.359 42.655 -2.296 25793 1798 1 5 . 1 1 27 27 LEU H H 27 5.781 5.781 7.301 -1.520 25793 1799 1 5 . 1 1 28 28 GLY N N 28 103.011 103.011 107.998 -4.987 25793 1800 1 5 . 1 1 28 28 GLY C C 28 172.297 172.297 173.502 -1.205 25793 1801 1 5 . 1 1 28 28 GLY CA C 28 41.348 41.348 44.473 -3.125 25793 1802 1 5 . 1 1 28 28 GLY H H 28 7.785 7.785 7.573 0.212 25793 1803 1 5 . 1 1 29 29 ASP N N 29 122.671 122.671 123.886 -1.215 25793 1804 1 5 . 1 1 29 29 ASP HA H 29 4.720 4.720 4.817 -0.097 25793 1805 1 5 . 1 1 29 29 ASP C C 29 172.137 172.137 176.869 -4.732 25793 1806 1 5 . 1 1 29 29 ASP CA C 29 48.748 48.748 53.044 -4.296 25793 1807 1 5 . 1 1 29 29 ASP CB C 29 38.519 38.519 43.578 -5.059 25793 1808 1 5 . 1 1 29 29 ASP H H 29 7.515 7.515 7.966 -0.451 25793 1809 1 5 . 1 1 30 30 ALA N N 30 119.757 119.757 123.402 -3.645 25793 1810 1 5 . 1 1 30 30 ALA HA H 30 4.240 4.240 4.214 0.026 25793 1811 1 5 . 1 1 30 30 ALA CA C 30 54.400 54.400 56.272 -1.872 25793 1812 1 5 . 1 1 30 30 ALA CB C 30 12.540 12.540 16.854 -4.314 25793 1813 1 5 . 1 1 30 30 ALA H H 30 8.492 8.492 8.635 -0.143 25793 1814 1 5 . 1 1 31 31 PRO HA H 31 4.361 4.361 4.355 0.006 25793 1815 1 5 . 1 1 31 31 PRO C C 31 175.699 175.699 177.852 -2.153 25793 1816 1 5 . 1 1 31 31 PRO CA C 31 63.220 63.220 65.076 -1.856 25793 1817 1 5 . 1 1 31 31 PRO CB C 31 28.336 28.336 31.576 -3.240 25793 1818 1 5 . 1 1 32 32 PHE N N 32 119.824 119.824 119.105 0.719 25793 1819 1 5 . 1 1 32 32 PHE HA H 32 3.885 3.885 4.561 -0.676 25793 1820 1 5 . 1 1 32 32 PHE C C 32 176.949 176.949 176.678 0.271 25793 1821 1 5 . 1 1 32 32 PHE CA C 32 59.685 59.685 60.710 -1.025 25793 1822 1 5 . 1 1 32 32 PHE CB C 32 36.778 36.778 40.367 -3.589 25793 1823 1 5 . 1 1 32 32 PHE H H 32 7.949 7.949 7.885 0.064 25793 1824 1 5 . 1 1 33 33 LEU N N 33 121.755 121.755 120.899 0.856 25793 1825 1 5 . 1 1 33 33 LEU HA H 33 4.063 4.063 3.989 0.074 25793 1826 1 5 . 1 1 33 33 LEU C C 33 176.490 176.490 178.034 -1.544 25793 1827 1 5 . 1 1 33 33 LEU CA C 33 54.968 54.968 58.207 -3.239 25793 1828 1 5 . 1 1 33 33 LEU CB C 33 38.335 38.335 42.017 -3.682 25793 1829 1 5 . 1 1 33 33 LEU H H 33 8.386 8.386 8.141 0.245 25793 1830 1 5 . 1 1 34 34 ASP N N 34 121.771 121.771 119.576 2.195 25793 1831 1 5 . 1 1 34 34 ASP HA H 34 4.399 4.399 4.308 0.091 25793 1832 1 5 . 1 1 34 34 ASP C C 34 176.196 176.196 178.487 -2.291 25793 1833 1 5 . 1 1 34 34 ASP CA C 34 54.871 54.871 58.341 -3.470 25793 1834 1 5 . 1 1 34 34 ASP CB C 34 38.471 38.471 40.738 -2.267 25793 1835 1 5 . 1 1 34 34 ASP H H 34 8.252 8.252 7.987 0.265 25793 1836 1 5 . 1 1 35 35 ARG N N 35 119.119 119.119 119.120 -0.001 25793 1837 1 5 . 1 1 35 35 ARG HA H 35 3.818 3.818 3.986 -0.168 25793 1838 1 5 . 1 1 35 35 ARG C C 35 175.752 175.752 178.614 -2.862 25793 1839 1 5 . 1 1 35 35 ARG CA C 35 57.302 57.302 58.907 -1.605 25793 1840 1 5 . 1 1 35 35 ARG CB C 35 27.486 27.486 30.333 -2.847 25793 1841 1 5 . 1 1 35 35 ARG H H 35 8.197 8.197 7.444 0.753 25793 1842 1 5 . 1 1 36 36 LEU N N 36 120.940 120.940 120.201 0.739 25793 1843 1 5 . 1 1 36 36 LEU HA H 36 3.872 3.872 3.873 -0.001 25793 1844 1 5 . 1 1 36 36 LEU C C 36 177.676 177.676 178.885 -1.209 25793 1845 1 5 . 1 1 36 36 LEU CA C 36 55.818 55.818 57.729 -1.911 25793 1846 1 5 . 1 1 36 36 LEU CB C 36 40.156 40.156 41.811 -1.655 25793 1847 1 5 . 1 1 36 36 LEU H H 36 7.735 7.735 7.719 0.016 25793 1848 1 5 . 1 1 37 37 ARG N N 37 120.596 120.596 118.118 2.478 25793 1849 1 5 . 1 1 37 37 ARG HA H 37 4.241 4.241 3.960 0.281 25793 1850 1 5 . 1 1 37 37 ARG C C 37 174.571 174.571 178.842 -4.271 25793 1851 1 5 . 1 1 37 37 ARG CA C 37 56.891 56.891 59.731 -2.840 25793 1852 1 5 . 1 1 37 37 ARG CB C 37 27.936 27.936 29.831 -1.895 25793 1853 1 5 . 1 1 37 37 ARG H H 37 8.006 8.006 7.941 0.065 25793 1854 1 5 . 1 1 38 38 ARG N N 38 121.436 121.436 118.240 3.196 25793 1855 1 5 . 1 1 38 38 ARG HA H 38 3.987 3.987 4.067 -0.080 25793 1856 1 5 . 1 1 38 38 ARG C C 38 177.290 177.290 177.883 -0.593 25793 1857 1 5 . 1 1 38 38 ARG CA C 38 57.131 57.131 59.057 -1.926 25793 1858 1 5 . 1 1 38 38 ARG CB C 38 27.450 27.450 30.181 -2.731 25793 1859 1 5 . 1 1 38 38 ARG H H 38 8.307 8.307 7.728 0.579 25793 1860 1 5 . 1 1 39 39 ASP N N 39 120.034 120.034 117.268 2.766 25793 1861 1 5 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.677 -0.148 25793 1862 1 5 . 1 1 39 39 ASP C C 39 174.864 174.864 178.210 -3.346 25793 1863 1 5 . 1 1 39 39 ASP CA C 39 53.700 53.700 56.849 -3.149 25793 1864 1 5 . 1 1 39 39 ASP CB C 39 37.158 37.158 40.843 -3.685 25793 1865 1 5 . 1 1 39 39 ASP H H 39 8.737 8.737 8.025 0.712 25793 1866 1 5 . 1 1 40 40 GLN N N 40 121.853 121.853 120.064 1.789 25793 1867 1 5 . 1 1 40 40 GLN HA H 40 2.999 2.999 4.200 -1.201 25793 1868 1 5 . 1 1 40 40 GLN C C 40 175.010 175.010 178.372 -3.362 25793 1869 1 5 . 1 1 40 40 GLN CA C 40 56.747 56.747 59.398 -2.651 25793 1870 1 5 . 1 1 40 40 GLN CB C 40 25.196 25.196 29.023 -3.827 25793 1871 1 5 . 1 1 40 40 GLN H H 40 7.954 7.954 8.308 -0.354 25793 1872 1 5 . 1 1 41 41 LYS N N 41 117.346 117.346 119.384 -2.038 25793 1873 1 5 . 1 1 41 41 LYS HA H 41 3.914 3.914 4.094 -0.180 25793 1874 1 5 . 1 1 41 41 LYS C C 41 177.117 177.117 179.302 -2.185 25793 1875 1 5 . 1 1 41 41 LYS CA C 41 56.689 56.689 59.301 -2.612 25793 1876 1 5 . 1 1 41 41 LYS CB C 41 29.446 29.446 32.059 -2.613 25793 1877 1 5 . 1 1 41 41 LYS H H 41 7.014 7.014 7.603 -0.589 25793 1878 1 5 . 1 1 42 42 SER N N 42 115.844 115.844 116.390 -0.546 25793 1879 1 5 . 1 1 42 42 SER HA H 42 4.262 4.262 4.340 -0.078 25793 1880 1 5 . 1 1 42 42 SER C C 42 175.262 175.262 176.499 -1.237 25793 1881 1 5 . 1 1 42 42 SER CA C 42 58.256 58.256 61.234 -2.978 25793 1882 1 5 . 1 1 42 42 SER CB C 42 59.683 59.683 62.939 -3.256 25793 1883 1 5 . 1 1 42 42 SER H H 42 7.875 7.875 7.687 0.188 25793 1884 1 5 . 1 1 43 43 LEU N N 43 123.254 123.254 123.011 0.243 25793 1885 1 5 . 1 1 43 43 LEU HA H 43 4.082 4.082 4.131 -0.049 25793 1886 1 5 . 1 1 43 43 LEU C C 43 176.505 176.505 178.953 -2.448 25793 1887 1 5 . 1 1 43 43 LEU CA C 43 55.621 55.621 58.394 -2.773 25793 1888 1 5 . 1 1 43 43 LEU CB C 43 38.460 38.460 42.126 -3.666 25793 1889 1 5 . 1 1 43 43 LEU H H 43 8.736 8.736 8.446 0.290 25793 1890 1 5 . 1 1 44 44 ARG N N 44 118.877 118.877 118.076 0.801 25793 1891 1 5 . 1 1 44 44 ARG HA H 44 4.011 4.011 3.974 0.037 25793 1892 1 5 . 1 1 44 44 ARG C C 44 177.379 177.379 178.968 -1.589 25793 1893 1 5 . 1 1 44 44 ARG CA C 44 56.911 56.911 59.566 -2.655 25793 1894 1 5 . 1 1 44 44 ARG CB C 44 26.602 26.602 30.024 -3.422 25793 1895 1 5 . 1 1 44 44 ARG H H 44 7.686 7.686 7.784 -0.098 25793 1896 1 5 . 1 1 45 45 GLY N N 45 107.372 107.372 106.257 1.115 25793 1897 1 5 . 1 1 45 45 GLY C C 45 173.935 173.935 175.797 -1.862 25793 1898 1 5 . 1 1 45 45 GLY CA C 45 44.395 44.395 46.496 -2.101 25793 1899 1 5 . 1 1 45 45 GLY H H 45 7.762 7.762 8.116 -0.354 25793 1900 1 5 . 1 1 46 46 ARG N N 46 123.780 123.780 121.837 1.943 25793 1901 1 5 . 1 1 46 46 ARG HA H 46 3.902 3.902 4.201 -0.299 25793 1902 1 5 . 1 1 46 46 ARG C C 46 175.910 175.910 178.414 -2.504 25793 1903 1 5 . 1 1 46 46 ARG CA C 46 56.375 56.375 58.270 -1.895 25793 1904 1 5 . 1 1 46 46 ARG CB C 46 28.851 28.851 30.158 -1.307 25793 1905 1 5 . 1 1 46 46 ARG H H 46 8.381 8.381 7.543 0.838 25793 1906 1 5 . 1 1 47 47 GLY N N 47 107.330 107.330 107.236 0.094 25793 1907 1 5 . 1 1 47 47 GLY C C 47 173.406 173.406 176.058 -2.652 25793 1908 1 5 . 1 1 47 47 GLY CA C 47 45.429 45.429 46.709 -1.280 25793 1909 1 5 . 1 1 47 47 GLY H H 47 8.782 8.782 7.723 1.059 25793 1910 1 5 . 1 1 48 48 SER N N 48 116.214 116.214 117.242 -1.028 25793 1911 1 5 . 1 1 48 48 SER HA H 48 4.200 4.200 4.176 0.024 25793 1912 1 5 . 1 1 48 48 SER C C 48 174.824 174.824 177.133 -2.309 25793 1913 1 5 . 1 1 48 48 SER CA C 48 58.531 58.531 61.558 -3.027 25793 1914 1 5 . 1 1 48 48 SER CB C 48 59.837 59.837 62.628 -2.791 25793 1915 1 5 . 1 1 48 48 SER H H 48 7.737 7.737 7.623 0.114 25793 1916 1 5 . 1 1 49 49 THR N N 49 118.158 118.158 118.237 -0.079 25793 1917 1 5 . 1 1 49 49 THR HA H 49 3.885 3.885 3.983 -0.098 25793 1918 1 5 . 1 1 49 49 THR C C 49 173.322 173.322 176.246 -2.924 25793 1919 1 5 . 1 1 49 49 THR CA C 49 63.385 63.385 64.906 -1.521 25793 1920 1 5 . 1 1 49 49 THR CB C 49 65.997 65.997 68.585 -2.588 25793 1921 1 5 . 1 1 49 49 THR H H 49 7.784 7.784 7.440 0.344 25793 1922 1 5 . 1 1 50 50 LEU N N 50 118.727 118.727 120.716 -1.989 25793 1923 1 5 . 1 1 50 50 LEU HA H 50 4.050 4.050 4.286 -0.236 25793 1924 1 5 . 1 1 50 50 LEU C C 50 174.153 174.153 177.528 -3.375 25793 1925 1 5 . 1 1 50 50 LEU CA C 50 52.580 52.580 55.162 -2.582 25793 1926 1 5 . 1 1 50 50 LEU CB C 50 39.994 39.994 42.369 -2.375 25793 1927 1 5 . 1 1 50 50 LEU H H 50 7.734 7.734 7.572 0.162 25793 1928 1 5 . 1 1 51 51 GLY N N 51 108.894 108.894 107.592 1.302 25793 1929 1 5 . 1 1 51 51 GLY C C 51 171.597 171.597 174.060 -2.463 25793 1930 1 5 . 1 1 51 51 GLY CA C 51 43.400 43.400 45.363 -1.963 25793 1931 1 5 . 1 1 51 51 GLY H H 51 7.698 7.698 7.693 0.005 25793 1932 1 5 . 1 1 52 52 LEU N N 52 119.252 119.252 119.964 -0.712 25793 1933 1 5 . 1 1 52 52 LEU HA H 52 4.638 4.638 4.569 0.069 25793 1934 1 5 . 1 1 52 52 LEU C C 52 172.244 172.244 176.293 -4.049 25793 1935 1 5 . 1 1 52 52 LEU CA C 52 50.261 50.261 54.248 -3.987 25793 1936 1 5 . 1 1 52 52 LEU CB C 52 42.411 42.411 44.795 -2.384 25793 1937 1 5 . 1 1 52 52 LEU H H 52 7.661 7.661 7.606 0.055 25793 1938 1 5 . 1 1 53 53 ASP N N 53 121.433 121.433 124.464 -3.031 25793 1939 1 5 . 1 1 53 53 ASP HA H 53 4.658 4.658 4.660 -0.002 25793 1940 1 5 . 1 1 53 53 ASP C C 53 174.204 174.204 177.284 -3.080 25793 1941 1 5 . 1 1 53 53 ASP CA C 53 50.435 50.435 54.983 -4.548 25793 1942 1 5 . 1 1 53 53 ASP CB C 53 40.206 40.206 41.753 -1.547 25793 1943 1 5 . 1 1 53 53 ASP H H 53 8.127 8.127 8.506 -0.379 25793 1944 1 5 . 1 1 54 54 ILE N N 54 125.804 125.804 127.421 -1.617 25793 1945 1 5 . 1 1 54 54 ILE HA H 54 3.797 3.797 3.685 0.112 25793 1946 1 5 . 1 1 54 54 ILE C C 54 176.613 176.613 177.024 -0.411 25793 1947 1 5 . 1 1 54 54 ILE CA C 54 62.133 62.133 64.290 -2.158 25793 1948 1 5 . 1 1 54 54 ILE CB C 54 35.036 35.036 38.476 -3.440 25793 1949 1 5 . 1 1 54 54 ILE H H 54 8.788 8.788 8.727 0.061 25793 1950 1 5 . 1 1 55 55 GLU N N 55 125.797 125.797 118.695 7.102 25793 1951 1 5 . 1 1 55 55 GLU HA H 55 4.009 4.009 3.993 0.016 25793 1952 1 5 . 1 1 55 55 GLU C C 55 176.730 176.730 178.895 -2.165 25793 1953 1 5 . 1 1 55 55 GLU CA C 55 57.998 57.998 59.896 -1.898 25793 1954 1 5 . 1 1 55 55 GLU CB C 55 25.895 25.895 29.094 -3.199 25793 1955 1 5 . 1 1 55 55 GLU H H 55 8.945 8.945 8.774 0.171 25793 1956 1 5 . 1 1 56 56 THR N N 56 117.286 117.286 114.156 3.130 25793 1957 1 5 . 1 1 56 56 THR HA H 56 3.817 3.817 4.131 -0.314 25793 1958 1 5 . 1 1 56 56 THR C C 56 174.617 174.617 175.681 -1.064 25793 1959 1 5 . 1 1 56 56 THR CA C 56 63.766 63.766 65.443 -1.677 25793 1960 1 5 . 1 1 56 56 THR CB C 56 65.452 65.452 68.511 -3.059 25793 1961 1 5 . 1 1 56 56 THR H H 56 8.240 8.240 7.884 0.356 25793 1962 1 5 . 1 1 57 57 ALA N N 57 125.072 125.072 123.114 1.958 25793 1963 1 5 . 1 1 57 57 ALA HA H 57 4.230 4.230 4.121 0.109 25793 1964 1 5 . 1 1 57 57 ALA C C 57 176.346 176.346 179.044 -2.698 25793 1965 1 5 . 1 1 57 57 ALA CA C 57 52.650 52.650 54.817 -2.167 25793 1966 1 5 . 1 1 57 57 ALA CB C 57 17.400 17.400 18.196 -0.796 25793 1967 1 5 . 1 1 57 57 ALA H H 57 8.121 8.121 7.989 0.132 25793 1968 1 5 . 1 1 58 58 THR N N 58 115.752 115.752 113.167 2.585 25793 1969 1 5 . 1 1 58 58 THR HA H 58 3.632 3.632 4.005 -0.372 25793 1970 1 5 . 1 1 58 58 THR C C 58 172.862 172.862 176.810 -3.948 25793 1971 1 5 . 1 1 58 58 THR CA C 58 65.100 65.100 65.740 -0.640 25793 1972 1 5 . 1 1 58 58 THR CB C 58 66.100 66.100 68.850 -2.750 25793 1973 1 5 . 1 1 58 58 THR H H 58 8.381 8.381 8.197 0.184 25793 1974 1 5 . 1 1 59 59 ARG N N 59 120.537 120.537 120.966 -0.429 25793 1975 1 5 . 1 1 59 59 ARG HA H 59 3.911 3.911 3.861 0.050 25793 1976 1 5 . 1 1 59 59 ARG C C 59 176.099 176.099 178.422 -2.323 25793 1977 1 5 . 1 1 59 59 ARG CA C 59 56.616 56.616 59.552 -2.936 25793 1978 1 5 . 1 1 59 59 ARG CB C 59 27.022 27.022 29.918 -2.896 25793 1979 1 5 . 1 1 59 59 ARG H H 59 7.245 7.245 7.523 -0.278 25793 1980 1 5 . 1 1 60 60 ALA N N 60 121.996 121.996 121.008 0.988 25793 1981 1 5 . 1 1 60 60 ALA HA H 60 4.120 4.120 4.031 0.089 25793 1982 1 5 . 1 1 60 60 ALA C C 60 178.745 178.745 179.238 -0.493 25793 1983 1 5 . 1 1 60 60 ALA CA C 60 52.000 52.000 54.649 -2.649 25793 1984 1 5 . 1 1 60 60 ALA CB C 60 15.824 15.824 18.434 -2.610 25793 1985 1 5 . 1 1 60 60 ALA H H 60 7.489 7.489 8.030 -0.541 25793 1986 1 5 . 1 1 61 61 GLY N N 61 108.024 108.024 105.721 2.303 25793 1987 1 5 . 1 1 61 61 GLY C C 61 171.515 171.515 175.656 -4.141 25793 1988 1 5 . 1 1 61 61 GLY CA C 61 43.797 43.797 46.129 -2.332 25793 1989 1 5 . 1 1 61 61 GLY H H 61 8.721 8.721 8.132 0.589 25793 1990 1 5 . 1 1 62 62 LYS N N 62 123.393 123.393 122.001 1.392 25793 1991 1 5 . 1 1 62 62 LYS HA H 62 1.780 1.780 2.434 -0.654 25793 1992 1 5 . 1 1 62 62 LYS C C 62 174.612 174.612 178.497 -3.885 25793 1993 1 5 . 1 1 62 62 LYS CA C 62 56.683 56.683 59.222 -2.539 25793 1994 1 5 . 1 1 62 62 LYS CB C 62 29.920 29.920 31.970 -2.050 25793 1995 1 5 . 1 1 62 62 LYS H H 62 7.683 7.683 8.100 -0.417 25793 1996 1 5 . 1 1 63 63 GLN N N 63 114.582 114.582 116.058 -1.476 25793 1997 1 5 . 1 1 63 63 GLN HA H 63 3.920 3.920 3.955 -0.035 25793 1998 1 5 . 1 1 63 63 GLN C C 63 176.294 176.294 178.453 -2.159 25793 1999 1 5 . 1 1 63 63 GLN CA C 63 55.604 55.604 58.338 -2.734 25793 2000 1 5 . 1 1 63 63 GLN CB C 63 25.557 25.557 28.846 -3.289 25793 2001 1 5 . 1 1 63 63 GLN H H 63 6.637 6.637 7.350 -0.713 25793 2002 1 5 . 1 1 64 64 ILE N N 64 119.051 119.051 118.018 1.033 25793 2003 1 5 . 1 1 64 64 ILE HA H 64 3.571 3.571 3.729 -0.158 25793 2004 1 5 . 1 1 64 64 ILE C C 64 175.402 175.402 177.610 -2.208 25793 2005 1 5 . 1 1 64 64 ILE CA C 64 62.529 62.529 64.737 -2.208 25793 2006 1 5 . 1 1 64 64 ILE CB C 64 36.198 36.198 37.652 -1.454 25793 2007 1 5 . 1 1 64 64 ILE H H 64 7.092 7.092 7.101 -0.009 25793 2008 1 5 . 1 1 65 65 VAL N N 65 118.800 118.800 120.486 -1.686 25793 2009 1 5 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.469 -0.083 25793 2010 1 5 . 1 1 65 65 VAL C C 65 174.546 174.546 178.043 -3.497 25793 2011 1 5 . 1 1 65 65 VAL CA C 65 64.500 64.500 66.721 -2.221 25793 2012 1 5 . 1 1 65 65 VAL CB C 65 28.300 28.300 31.146 -2.846 25793 2013 1 5 . 1 1 65 65 VAL H H 65 8.103 8.103 7.862 0.241 25793 2014 1 5 . 1 1 66 66 GLU N N 66 118.966 118.966 118.827 0.139 25793 2015 1 5 . 1 1 66 66 GLU HA H 66 3.810 3.810 3.970 -0.160 25793 2016 1 5 . 1 1 66 66 GLU C C 66 176.292 176.292 179.295 -3.003 25793 2017 1 5 . 1 1 66 66 GLU CA C 66 57.618 57.618 59.287 -1.669 25793 2018 1 5 . 1 1 66 66 GLU CB C 66 26.391 26.391 29.313 -2.922 25793 2019 1 5 . 1 1 66 66 GLU H H 66 8.654 8.654 7.501 1.153 25793 2020 1 5 . 1 1 67 67 ARG N N 67 118.499 118.499 118.631 -0.132 25793 2021 1 5 . 1 1 67 67 ARG HA H 67 3.990 3.990 4.030 -0.040 25793 2022 1 5 . 1 1 67 67 ARG C C 67 176.039 176.039 179.259 -3.220 25793 2023 1 5 . 1 1 67 67 ARG CA C 67 56.996 56.996 58.927 -1.931 25793 2024 1 5 . 1 1 67 67 ARG CB C 67 26.783 26.783 30.189 -3.406 25793 2025 1 5 . 1 1 67 67 ARG H H 67 7.270 7.270 7.765 -0.495 25793 2026 1 5 . 1 1 68 68 ILE N N 68 120.031 120.031 115.282 4.749 25793 2027 1 5 . 1 1 68 68 ILE HA H 68 3.721 3.721 3.954 -0.233 25793 2028 1 5 . 1 1 68 68 ILE C C 68 176.061 176.061 176.381 -0.320 25793 2029 1 5 . 1 1 68 68 ILE CA C 68 61.970 61.970 64.040 -2.070 25793 2030 1 5 . 1 1 68 68 ILE CB C 68 35.254 35.254 37.505 -2.251 25793 2031 1 5 . 1 1 68 68 ILE H H 68 7.569 7.569 8.281 -0.712 25793 2032 1 5 . 1 1 69 69 LEU N N 69 118.859 118.859 117.692 1.167 25793 2033 1 5 . 1 1 69 69 LEU HA H 69 4.127 4.127 4.543 -0.416 25793 2034 1 5 . 1 1 69 69 LEU C C 69 176.859 176.859 178.499 -1.640 25793 2035 1 5 . 1 1 69 69 LEU CA C 69 54.525 54.525 56.404 -1.879 25793 2036 1 5 . 1 1 69 69 LEU CB C 69 38.150 38.150 42.742 -4.592 25793 2037 1 5 . 1 1 69 69 LEU H H 69 8.305 8.305 7.297 1.008 25793 2038 1 5 . 1 1 70 70 LYS N N 70 119.685 119.685 118.754 0.931 25793 2039 1 5 . 1 1 70 70 LYS HA H 70 4.098 4.098 4.171 -0.073 25793 2040 1 5 . 1 1 70 70 LYS C C 70 175.484 175.484 178.529 -3.045 25793 2041 1 5 . 1 1 70 70 LYS CA C 70 55.580 55.580 58.547 -2.966 25793 2042 1 5 . 1 1 70 70 LYS CB C 70 29.700 29.700 32.412 -2.712 25793 2043 1 5 . 1 1 70 70 LYS H H 70 7.748 7.748 7.434 0.314 25793 2044 1 5 . 1 1 71 71 GLU N N 71 118.055 118.055 118.778 -0.723 25793 2045 1 5 . 1 1 71 71 GLU HA H 71 4.175 4.175 4.286 -0.111 25793 2046 1 5 . 1 1 71 71 GLU C C 71 174.094 174.094 177.006 -2.912 25793 2047 1 5 . 1 1 71 71 GLU CA C 71 54.411 54.411 57.618 -3.207 25793 2048 1 5 . 1 1 71 71 GLU CB C 71 27.038 27.038 29.265 -2.227 25793 2049 1 5 . 1 1 71 71 GLU H H 71 7.644 7.644 7.961 -0.317 25793 2050 1 5 . 1 1 72 72 GLU N N 72 118.922 118.922 118.098 0.824 25793 2051 1 5 . 1 1 72 72 GLU HA H 72 4.164 4.164 4.383 -0.219 25793 2052 1 5 . 1 1 72 72 GLU C C 72 172.677 172.677 176.678 -4.001 25793 2053 1 5 . 1 1 72 72 GLU CA C 72 53.047 53.047 56.956 -3.909 25793 2054 1 5 . 1 1 72 72 GLU CB C 72 25.297 25.297 30.302 -5.005 25793 2055 1 5 . 1 1 72 72 GLU H H 72 7.603 7.603 8.453 -0.850 25793 2056 1 6 . 1 1 2 2 ASP HA H 2 4.703 4.703 4.532 0.171 25793 2057 1 6 . 1 1 2 2 ASP C C 2 173.678 173.678 175.270 -1.592 25793 2058 1 6 . 1 1 2 2 ASP CA C 2 51.357 51.357 54.522 -3.165 25793 2059 1 6 . 1 1 2 2 ASP CB C 2 39.114 39.114 41.245 -2.131 25793 2060 1 6 . 1 1 3 3 SER N N 3 118.993 118.993 117.677 1.316 25793 2061 1 6 . 1 1 3 3 SER HA H 3 4.237 4.237 4.399 -0.162 25793 2062 1 6 . 1 1 3 3 SER C C 3 173.240 173.240 175.562 -2.322 25793 2063 1 6 . 1 1 3 3 SER CA C 3 57.300 57.300 59.708 -2.408 25793 2064 1 6 . 1 1 3 3 SER CB C 3 60.653 60.653 64.430 -3.777 25793 2065 1 6 . 1 1 3 3 SER H H 3 8.745 8.745 8.615 0.130 25793 2066 1 6 . 1 1 4 4 ASN N N 4 122.369 122.369 119.609 2.760 25793 2067 1 6 . 1 1 4 4 ASN HA H 4 4.576 4.576 4.730 -0.154 25793 2068 1 6 . 1 1 4 4 ASN C C 4 176.101 176.101 176.893 -0.792 25793 2069 1 6 . 1 1 4 4 ASN CA C 4 52.488 52.488 55.126 -2.638 25793 2070 1 6 . 1 1 4 4 ASN CB C 4 33.507 33.507 39.015 -5.508 25793 2071 1 6 . 1 1 4 4 ASN H H 4 8.865 8.865 8.752 0.113 25793 2072 1 6 . 1 1 5 5 THR N N 5 122.349 122.349 114.657 7.692 25793 2073 1 6 . 1 1 5 5 THR HA H 5 4.330 4.330 4.396 -0.067 25793 2074 1 6 . 1 1 5 5 THR C C 5 174.576 174.576 175.385 -0.809 25793 2075 1 6 . 1 1 5 5 THR CA C 5 63.330 63.330 64.097 -0.767 25793 2076 1 6 . 1 1 5 5 THR CB C 5 66.155 66.155 69.398 -3.243 25793 2077 1 6 . 1 1 5 5 THR H H 5 8.200 8.200 8.031 0.169 25793 2078 1 6 . 1 1 6 6 VAL N N 6 124.255 124.255 121.515 2.740 25793 2079 1 6 . 1 1 6 6 VAL HA H 6 3.480 3.480 3.942 -0.462 25793 2080 1 6 . 1 1 6 6 VAL C C 6 174.988 174.988 177.215 -2.227 25793 2081 1 6 . 1 1 6 6 VAL CA C 6 64.919 64.919 65.129 -0.210 25793 2082 1 6 . 1 1 6 6 VAL CB C 6 28.699 28.699 32.026 -3.327 25793 2083 1 6 . 1 1 6 6 VAL H H 6 7.590 7.590 7.419 0.171 25793 2084 1 6 . 1 1 7 7 SER N N 7 116.402 116.402 116.187 0.215 25793 2085 1 6 . 1 1 7 7 SER HA H 7 4.459 4.459 4.239 0.220 25793 2086 1 6 . 1 1 7 7 SER C C 7 173.494 173.494 176.076 -2.582 25793 2087 1 6 . 1 1 7 7 SER CA C 7 59.174 59.174 62.456 -3.282 25793 2088 1 6 . 1 1 7 7 SER CB C 7 60.020 60.020 62.999 -2.979 25793 2089 1 6 . 1 1 7 7 SER H H 7 8.721 8.721 8.136 0.585 25793 2090 1 6 . 1 1 8 8 SER N N 8 116.463 116.463 117.132 -0.669 25793 2091 1 6 . 1 1 8 8 SER HA H 8 3.745 3.745 4.353 -0.608 25793 2092 1 6 . 1 1 8 8 SER C C 8 171.540 171.540 176.067 -4.527 25793 2093 1 6 . 1 1 8 8 SER CA C 8 60.322 60.322 60.839 -0.517 25793 2094 1 6 . 1 1 8 8 SER CB C 8 60.785 60.785 63.141 -2.356 25793 2095 1 6 . 1 1 8 8 SER H H 8 8.213 8.213 7.861 0.352 25793 2096 1 6 . 1 1 9 9 PHE N N 9 121.530 121.530 123.324 -1.794 25793 2097 1 6 . 1 1 9 9 PHE HA H 9 4.405 4.405 4.593 -0.188 25793 2098 1 6 . 1 1 9 9 PHE C C 9 174.481 174.481 176.716 -2.235 25793 2099 1 6 . 1 1 9 9 PHE CA C 9 58.488 58.488 59.853 -1.365 25793 2100 1 6 . 1 1 9 9 PHE CB C 9 36.397 36.397 39.768 -3.371 25793 2101 1 6 . 1 1 9 9 PHE H H 9 7.387 7.387 7.302 0.085 25793 2102 1 6 . 1 1 10 10 GLN N N 10 119.460 119.460 118.993 0.467 25793 2103 1 6 . 1 1 10 10 GLN HA H 10 3.516 3.516 3.886 -0.370 25793 2104 1 6 . 1 1 10 10 GLN C C 10 176.083 176.083 178.734 -2.651 25793 2105 1 6 . 1 1 10 10 GLN CA C 10 56.595 56.595 59.251 -2.655 25793 2106 1 6 . 1 1 10 10 GLN CB C 10 23.672 23.672 28.980 -5.308 25793 2107 1 6 . 1 1 10 10 GLN H H 10 8.335 8.335 8.005 0.330 25793 2108 1 6 . 1 1 11 11 VAL N N 11 119.513 119.513 116.077 3.436 25793 2109 1 6 . 1 1 11 11 VAL HA H 11 3.300 3.300 3.809 -0.509 25793 2110 1 6 . 1 1 11 11 VAL C C 11 174.535 174.535 177.148 -2.613 25793 2111 1 6 . 1 1 11 11 VAL CA C 11 65.180 65.180 66.026 -0.846 25793 2112 1 6 . 1 1 11 11 VAL CB C 11 28.300 28.300 31.559 -3.259 25793 2113 1 6 . 1 1 11 11 VAL H H 11 8.127 8.127 7.588 0.539 25793 2114 1 6 . 1 1 12 12 ASP N N 12 120.959 120.959 121.612 -0.653 25793 2115 1 6 . 1 1 12 12 ASP HA H 12 4.414 4.414 4.460 -0.046 25793 2116 1 6 . 1 1 12 12 ASP C C 12 177.940 177.940 178.429 -0.489 25793 2117 1 6 . 1 1 12 12 ASP CA C 12 55.349 55.349 57.632 -2.283 25793 2118 1 6 . 1 1 12 12 ASP CB C 12 37.275 37.275 40.781 -3.506 25793 2119 1 6 . 1 1 12 12 ASP H H 12 8.116 8.116 7.716 0.400 25793 2120 1 6 . 1 1 13 13 CYS N N 13 119.479 119.479 118.031 1.448 25793 2121 1 6 . 1 1 13 13 CYS HA H 13 4.015 4.015 4.143 -0.128 25793 2122 1 6 . 1 1 13 13 CYS C C 13 175.349 175.349 176.776 -1.427 25793 2123 1 6 . 1 1 13 13 CYS CA C 13 62.384 62.384 62.900 -0.516 25793 2124 1 6 . 1 1 13 13 CYS CB C 13 23.610 23.610 26.684 -3.074 25793 2125 1 6 . 1 1 13 13 CYS H H 13 8.448 8.448 7.749 0.699 25793 2126 1 6 . 1 1 14 14 PHE N N 14 121.085 121.085 121.903 -0.818 25793 2127 1 6 . 1 1 14 14 PHE HA H 14 4.460 4.460 4.298 0.162 25793 2128 1 6 . 1 1 14 14 PHE C C 14 174.143 174.143 177.305 -3.162 25793 2129 1 6 . 1 1 14 14 PHE CA C 14 59.902 59.902 61.084 -1.182 25793 2130 1 6 . 1 1 14 14 PHE CB C 14 35.907 35.907 38.966 -3.059 25793 2131 1 6 . 1 1 14 14 PHE H H 14 8.244 8.244 7.538 0.706 25793 2132 1 6 . 1 1 15 15 LEU N N 15 118.069 118.069 119.434 -1.365 25793 2133 1 6 . 1 1 15 15 LEU HA H 15 3.735 3.735 3.763 -0.028 25793 2134 1 6 . 1 1 15 15 LEU C C 15 176.261 176.261 178.769 -2.508 25793 2135 1 6 . 1 1 15 15 LEU CA C 15 55.494 55.494 59.029 -3.535 25793 2136 1 6 . 1 1 15 15 LEU CB C 15 36.676 36.676 41.655 -4.979 25793 2137 1 6 . 1 1 15 15 LEU H H 15 9.072 9.072 8.513 0.559 25793 2138 1 6 . 1 1 16 16 TRP N N 16 120.587 120.587 119.411 1.176 25793 2139 1 6 . 1 1 16 16 TRP HA H 16 3.660 3.660 4.275 -0.615 25793 2140 1 6 . 1 1 16 16 TRP C C 16 173.925 173.925 178.005 -4.080 25793 2141 1 6 . 1 1 16 16 TRP CA C 16 61.127 61.127 61.444 -0.317 25793 2142 1 6 . 1 1 16 16 TRP CB C 16 26.247 26.247 29.686 -3.438 25793 2143 1 6 . 1 1 16 16 TRP H H 16 8.142 8.142 8.186 -0.044 25793 2144 1 6 . 1 1 17 17 HIS N N 17 117.927 117.927 118.648 -0.721 25793 2145 1 6 . 1 1 17 17 HIS HA H 17 4.022 4.022 4.451 -0.429 25793 2146 1 6 . 1 1 17 17 HIS C C 17 173.650 173.650 176.825 -3.175 25793 2147 1 6 . 1 1 17 17 HIS CA C 17 57.350 57.350 59.426 -2.076 25793 2148 1 6 . 1 1 17 17 HIS CB C 17 25.231 25.231 29.949 -4.718 25793 2149 1 6 . 1 1 17 17 HIS H H 17 7.697 7.697 7.666 0.031 25793 2150 1 6 . 1 1 18 18 VAL N N 18 118.787 118.787 119.331 -0.544 25793 2151 1 6 . 1 1 18 18 VAL HA H 18 2.949 2.949 3.471 -0.522 25793 2152 1 6 . 1 1 18 18 VAL C C 18 174.321 174.321 177.699 -3.378 25793 2153 1 6 . 1 1 18 18 VAL CA C 18 64.400 64.400 65.860 -1.460 25793 2154 1 6 . 1 1 18 18 VAL CB C 18 28.400 28.400 31.487 -3.087 25793 2155 1 6 . 1 1 18 18 VAL H H 18 7.651 7.651 7.637 0.014 25793 2156 1 6 . 1 1 19 19 ARG N N 19 118.108 118.108 118.417 -0.309 25793 2157 1 6 . 1 1 19 19 ARG HA H 19 3.661 3.661 4.118 -0.457 25793 2158 1 6 . 1 1 19 19 ARG C C 19 174.575 174.575 178.261 -3.686 25793 2159 1 6 . 1 1 19 19 ARG CA C 19 57.558 57.558 59.224 -1.667 25793 2160 1 6 . 1 1 19 19 ARG CB C 19 28.140 28.140 29.861 -1.721 25793 2161 1 6 . 1 1 19 19 ARG H H 19 7.602 7.602 7.514 0.088 25793 2162 1 6 . 1 1 20 20 LYS N N 20 121.889 121.889 119.315 2.574 25793 2163 1 6 . 1 1 20 20 LYS HA H 20 3.530 3.530 4.024 -0.494 25793 2164 1 6 . 1 1 20 20 LYS C C 20 174.970 174.970 178.814 -3.844 25793 2165 1 6 . 1 1 20 20 LYS CA C 20 55.292 55.292 57.988 -2.696 25793 2166 1 6 . 1 1 20 20 LYS CB C 20 28.420 28.420 32.227 -3.807 25793 2167 1 6 . 1 1 20 20 LYS H H 20 8.304 8.304 7.855 0.449 25793 2168 1 6 . 1 1 21 21 ARG N N 21 118.825 118.825 118.254 0.571 25793 2169 1 6 . 1 1 21 21 ARG HA H 21 3.915 3.915 4.125 -0.210 25793 2170 1 6 . 1 1 21 21 ARG C C 21 176.513 176.513 177.321 -0.808 25793 2171 1 6 . 1 1 21 21 ARG CA C 21 55.003 55.003 58.469 -3.466 25793 2172 1 6 . 1 1 21 21 ARG CB C 21 26.002 26.002 30.259 -4.257 25793 2173 1 6 . 1 1 21 21 ARG H H 21 7.772 7.772 7.529 0.243 25793 2174 1 6 . 1 1 22 22 PHE N N 22 120.501 120.501 119.439 1.062 25793 2175 1 6 . 1 1 22 22 PHE HA H 22 3.899 3.899 4.354 -0.455 25793 2176 1 6 . 1 1 22 22 PHE C C 22 173.880 173.880 175.900 -2.020 25793 2177 1 6 . 1 1 22 22 PHE CA C 22 58.542 58.542 60.388 -1.846 25793 2178 1 6 . 1 1 22 22 PHE CB C 22 35.961 35.961 39.676 -3.715 25793 2179 1 6 . 1 1 22 22 PHE H H 22 7.799 7.799 7.542 0.257 25793 2180 1 6 . 1 1 23 23 ALA N N 23 123.040 123.040 121.374 1.666 25793 2181 1 6 . 1 1 23 23 ALA HA H 23 3.720 3.720 4.001 -0.281 25793 2182 1 6 . 1 1 23 23 ALA C C 23 179.545 179.545 179.580 -0.035 25793 2183 1 6 . 1 1 23 23 ALA CA C 23 51.750 51.750 55.073 -3.323 25793 2184 1 6 . 1 1 23 23 ALA CB C 23 15.970 15.970 18.383 -2.413 25793 2185 1 6 . 1 1 23 23 ALA H H 23 8.627 8.627 8.232 0.395 25793 2186 1 6 . 1 1 24 24 ASP N N 24 121.514 121.514 117.871 3.643 25793 2187 1 6 . 1 1 24 24 ASP HA H 24 4.323 4.323 4.531 -0.208 25793 2188 1 6 . 1 1 24 24 ASP C C 24 175.020 175.020 177.507 -2.487 25793 2189 1 6 . 1 1 24 24 ASP CA C 24 53.645 53.645 56.332 -2.687 25793 2190 1 6 . 1 1 24 24 ASP CB C 24 37.158 37.158 40.973 -3.815 25793 2191 1 6 . 1 1 24 24 ASP H H 24 8.846 8.846 7.958 0.888 25793 2192 1 6 . 1 1 25 25 GLN N N 25 118.127 118.127 117.581 0.546 25793 2193 1 6 . 1 1 25 25 GLN HA H 25 4.159 4.159 4.307 -0.148 25793 2194 1 6 . 1 1 25 25 GLN C C 25 171.680 171.680 174.920 -3.240 25793 2195 1 6 . 1 1 25 25 GLN CA C 25 53.101 53.101 55.726 -2.625 25793 2196 1 6 . 1 1 25 25 GLN CB C 25 25.351 25.351 29.633 -4.282 25793 2197 1 6 . 1 1 25 25 GLN H H 25 7.192 7.192 7.534 -0.342 25793 2198 1 6 . 1 1 26 26 GLU N N 26 112.361 112.361 117.599 -5.238 25793 2199 1 6 . 1 1 26 26 GLU HA H 26 3.906 3.906 3.851 0.055 25793 2200 1 6 . 1 1 26 26 GLU C C 26 173.060 173.060 175.773 -2.713 25793 2201 1 6 . 1 1 26 26 GLU CA C 26 54.352 54.352 57.252 -2.900 25793 2202 1 6 . 1 1 26 26 GLU CB C 26 22.759 22.759 27.563 -4.804 25793 2203 1 6 . 1 1 26 26 GLU H H 26 7.975 7.975 7.812 0.163 25793 2204 1 6 . 1 1 27 27 LEU N N 27 115.873 115.873 118.156 -2.283 25793 2205 1 6 . 1 1 27 27 LEU HA H 27 4.043 4.043 4.195 -0.152 25793 2206 1 6 . 1 1 27 27 LEU C C 27 172.610 172.610 175.970 -3.360 25793 2207 1 6 . 1 1 27 27 LEU CA C 27 50.921 50.921 54.551 -3.630 25793 2208 1 6 . 1 1 27 27 LEU CB C 27 40.359 40.359 41.996 -1.637 25793 2209 1 6 . 1 1 27 27 LEU H H 27 5.781 5.781 7.567 -1.786 25793 2210 1 6 . 1 1 28 28 GLY N N 28 103.011 103.011 106.062 -3.051 25793 2211 1 6 . 1 1 28 28 GLY C C 28 172.297 172.297 172.169 0.128 25793 2212 1 6 . 1 1 28 28 GLY CA C 28 41.348 41.348 44.706 -3.358 25793 2213 1 6 . 1 1 28 28 GLY H H 28 7.785 7.785 7.348 0.437 25793 2214 1 6 . 1 1 29 29 ASP N N 29 122.671 122.671 119.077 3.594 25793 2215 1 6 . 1 1 29 29 ASP HA H 29 4.720 4.720 4.921 -0.201 25793 2216 1 6 . 1 1 29 29 ASP C C 29 172.137 172.137 177.939 -5.802 25793 2217 1 6 . 1 1 29 29 ASP CA C 29 48.748 48.748 53.501 -4.753 25793 2218 1 6 . 1 1 29 29 ASP CB C 29 38.519 38.519 43.011 -4.492 25793 2219 1 6 . 1 1 29 29 ASP H H 29 7.515 7.515 8.307 -0.792 25793 2220 1 6 . 1 1 30 30 ALA N N 30 119.757 119.757 122.711 -2.954 25793 2221 1 6 . 1 1 30 30 ALA HA H 30 4.240 4.240 4.268 -0.028 25793 2222 1 6 . 1 1 30 30 ALA CA C 30 54.400 54.400 56.057 -1.657 25793 2223 1 6 . 1 1 30 30 ALA CB C 30 12.540 12.540 17.097 -4.557 25793 2224 1 6 . 1 1 30 30 ALA H H 30 8.492 8.492 8.537 -0.045 25793 2225 1 6 . 1 1 31 31 PRO HA H 31 4.361 4.361 4.187 0.174 25793 2226 1 6 . 1 1 31 31 PRO C C 31 175.699 175.699 178.787 -3.088 25793 2227 1 6 . 1 1 31 31 PRO CA C 31 63.220 63.220 65.931 -2.711 25793 2228 1 6 . 1 1 31 31 PRO CB C 31 28.336 28.336 31.533 -3.197 25793 2229 1 6 . 1 1 32 32 PHE N N 32 119.824 119.824 116.963 2.861 25793 2230 1 6 . 1 1 32 32 PHE HA H 32 3.885 3.885 4.346 -0.461 25793 2231 1 6 . 1 1 32 32 PHE C C 32 176.949 176.949 177.536 -0.587 25793 2232 1 6 . 1 1 32 32 PHE CA C 32 59.685 59.685 61.596 -1.911 25793 2233 1 6 . 1 1 32 32 PHE CB C 32 36.778 36.778 38.946 -2.168 25793 2234 1 6 . 1 1 32 32 PHE H H 32 7.949 7.949 7.885 0.064 25793 2235 1 6 . 1 1 33 33 LEU N N 33 121.755 121.755 120.249 1.506 25793 2236 1 6 . 1 1 33 33 LEU HA H 33 4.063 4.063 3.834 0.229 25793 2237 1 6 . 1 1 33 33 LEU C C 33 176.490 176.490 178.683 -2.193 25793 2238 1 6 . 1 1 33 33 LEU CA C 33 54.968 54.968 58.687 -3.719 25793 2239 1 6 . 1 1 33 33 LEU CB C 33 38.335 38.335 41.698 -3.363 25793 2240 1 6 . 1 1 33 33 LEU H H 33 8.386 8.386 7.816 0.570 25793 2241 1 6 . 1 1 34 34 ASP N N 34 121.771 121.771 119.195 2.576 25793 2242 1 6 . 1 1 34 34 ASP HA H 34 4.399 4.399 4.338 0.061 25793 2243 1 6 . 1 1 34 34 ASP C C 34 176.196 176.196 178.922 -2.726 25793 2244 1 6 . 1 1 34 34 ASP CA C 34 54.871 54.871 58.103 -3.232 25793 2245 1 6 . 1 1 34 34 ASP CB C 34 38.471 38.471 40.752 -2.280 25793 2246 1 6 . 1 1 34 34 ASP H H 34 8.252 8.252 8.330 -0.078 25793 2247 1 6 . 1 1 35 35 ARG N N 35 119.119 119.119 119.570 -0.451 25793 2248 1 6 . 1 1 35 35 ARG HA H 35 3.818 3.818 3.960 -0.142 25793 2249 1 6 . 1 1 35 35 ARG C C 35 175.752 175.752 178.677 -2.925 25793 2250 1 6 . 1 1 35 35 ARG CA C 35 57.302 57.302 59.209 -1.907 25793 2251 1 6 . 1 1 35 35 ARG CB C 35 27.486 27.486 30.247 -2.760 25793 2252 1 6 . 1 1 35 35 ARG H H 35 8.197 8.197 7.601 0.596 25793 2253 1 6 . 1 1 36 36 LEU N N 36 120.940 120.940 120.023 0.917 25793 2254 1 6 . 1 1 36 36 LEU HA H 36 3.872 3.872 4.069 -0.197 25793 2255 1 6 . 1 1 36 36 LEU C C 36 177.676 177.676 179.117 -1.441 25793 2256 1 6 . 1 1 36 36 LEU CA C 36 55.818 55.818 58.434 -2.615 25793 2257 1 6 . 1 1 36 36 LEU CB C 36 40.156 40.156 41.896 -1.740 25793 2258 1 6 . 1 1 36 36 LEU H H 36 7.735 7.735 8.344 -0.609 25793 2259 1 6 . 1 1 37 37 ARG N N 37 120.596 120.596 117.790 2.806 25793 2260 1 6 . 1 1 37 37 ARG HA H 37 4.241 4.241 4.035 0.206 25793 2261 1 6 . 1 1 37 37 ARG C C 37 174.571 174.571 178.894 -4.323 25793 2262 1 6 . 1 1 37 37 ARG CA C 37 56.891 56.891 59.739 -2.848 25793 2263 1 6 . 1 1 37 37 ARG CB C 37 27.936 27.936 29.891 -1.955 25793 2264 1 6 . 1 1 37 37 ARG H H 37 8.006 8.006 7.656 0.350 25793 2265 1 6 . 1 1 38 38 ARG N N 38 121.436 121.436 118.507 2.929 25793 2266 1 6 . 1 1 38 38 ARG HA H 38 3.987 3.987 4.073 -0.086 25793 2267 1 6 . 1 1 38 38 ARG C C 38 177.290 177.290 178.227 -0.937 25793 2268 1 6 . 1 1 38 38 ARG CA C 38 57.131 57.131 59.178 -2.047 25793 2269 1 6 . 1 1 38 38 ARG CB C 38 27.450 27.450 30.069 -2.619 25793 2270 1 6 . 1 1 38 38 ARG H H 38 8.307 8.307 7.583 0.724 25793 2271 1 6 . 1 1 39 39 ASP N N 39 120.034 120.034 117.987 2.047 25793 2272 1 6 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.652 -0.123 25793 2273 1 6 . 1 1 39 39 ASP C C 39 174.864 174.864 177.731 -2.867 25793 2274 1 6 . 1 1 39 39 ASP CA C 39 53.700 53.700 56.666 -2.966 25793 2275 1 6 . 1 1 39 39 ASP CB C 39 37.158 37.158 41.726 -4.568 25793 2276 1 6 . 1 1 39 39 ASP H H 39 8.737 8.737 7.674 1.063 25793 2277 1 6 . 1 1 40 40 GLN N N 40 121.853 121.853 120.753 1.100 25793 2278 1 6 . 1 1 40 40 GLN HA H 40 2.999 2.999 3.456 -0.457 25793 2279 1 6 . 1 1 40 40 GLN C C 40 175.010 175.010 177.783 -2.773 25793 2280 1 6 . 1 1 40 40 GLN CA C 40 56.747 56.747 59.132 -2.385 25793 2281 1 6 . 1 1 40 40 GLN CB C 40 25.196 25.196 28.565 -3.369 25793 2282 1 6 . 1 1 40 40 GLN H H 40 7.954 7.954 7.959 -0.005 25793 2283 1 6 . 1 1 41 41 LYS N N 41 117.346 117.346 118.674 -1.328 25793 2284 1 6 . 1 1 41 41 LYS HA H 41 3.914 3.914 4.027 -0.113 25793 2285 1 6 . 1 1 41 41 LYS C C 41 177.117 177.117 179.298 -2.181 25793 2286 1 6 . 1 1 41 41 LYS CA C 41 56.689 56.689 59.209 -2.521 25793 2287 1 6 . 1 1 41 41 LYS CB C 41 29.446 29.446 31.994 -2.548 25793 2288 1 6 . 1 1 41 41 LYS H H 41 7.014 7.014 7.563 -0.549 25793 2289 1 6 . 1 1 42 42 SER N N 42 115.844 115.844 115.918 -0.074 25793 2290 1 6 . 1 1 42 42 SER HA H 42 4.262 4.262 4.325 -0.063 25793 2291 1 6 . 1 1 42 42 SER C C 42 175.262 175.262 176.319 -1.057 25793 2292 1 6 . 1 1 42 42 SER CA C 42 58.256 58.256 61.124 -2.868 25793 2293 1 6 . 1 1 42 42 SER CB C 42 59.683 59.683 62.930 -3.247 25793 2294 1 6 . 1 1 42 42 SER H H 42 7.875 7.875 7.623 0.252 25793 2295 1 6 . 1 1 43 43 LEU N N 43 123.254 123.254 122.809 0.445 25793 2296 1 6 . 1 1 43 43 LEU HA H 43 4.082 4.082 4.040 0.042 25793 2297 1 6 . 1 1 43 43 LEU C C 43 176.505 176.505 178.829 -2.324 25793 2298 1 6 . 1 1 43 43 LEU CA C 43 55.621 55.621 58.510 -2.889 25793 2299 1 6 . 1 1 43 43 LEU CB C 43 38.460 38.460 41.943 -3.483 25793 2300 1 6 . 1 1 43 43 LEU H H 43 8.736 8.736 8.286 0.450 25793 2301 1 6 . 1 1 44 44 ARG N N 44 118.877 118.877 118.062 0.815 25793 2302 1 6 . 1 1 44 44 ARG HA H 44 4.011 4.011 4.012 -0.001 25793 2303 1 6 . 1 1 44 44 ARG C C 44 177.379 177.379 178.942 -1.563 25793 2304 1 6 . 1 1 44 44 ARG CA C 44 56.911 56.911 59.599 -2.688 25793 2305 1 6 . 1 1 44 44 ARG CB C 44 26.602 26.602 30.144 -3.542 25793 2306 1 6 . 1 1 44 44 ARG H H 44 7.686 7.686 7.951 -0.265 25793 2307 1 6 . 1 1 45 45 GLY N N 45 107.372 107.372 105.840 1.532 25793 2308 1 6 . 1 1 45 45 GLY C C 45 173.935 173.935 175.751 -1.816 25793 2309 1 6 . 1 1 45 45 GLY CA C 45 44.395 44.395 46.252 -1.857 25793 2310 1 6 . 1 1 45 45 GLY H H 45 7.762 7.762 7.936 -0.174 25793 2311 1 6 . 1 1 46 46 ARG N N 46 123.780 123.780 121.928 1.852 25793 2312 1 6 . 1 1 46 46 ARG HA H 46 3.902 3.902 4.264 -0.362 25793 2313 1 6 . 1 1 46 46 ARG C C 46 175.910 175.910 178.299 -2.389 25793 2314 1 6 . 1 1 46 46 ARG CA C 46 56.375 56.375 58.281 -1.906 25793 2315 1 6 . 1 1 46 46 ARG CB C 46 28.851 28.851 30.260 -1.409 25793 2316 1 6 . 1 1 46 46 ARG H H 46 8.381 8.381 7.579 0.802 25793 2317 1 6 . 1 1 47 47 GLY N N 47 107.330 107.330 107.039 0.291 25793 2318 1 6 . 1 1 47 47 GLY C C 47 173.406 173.406 175.843 -2.437 25793 2319 1 6 . 1 1 47 47 GLY CA C 47 45.429 45.429 46.823 -1.394 25793 2320 1 6 . 1 1 47 47 GLY H H 47 8.782 8.782 7.804 0.978 25793 2321 1 6 . 1 1 48 48 SER N N 48 116.214 116.214 117.501 -1.287 25793 2322 1 6 . 1 1 48 48 SER HA H 48 4.200 4.200 4.084 0.116 25793 2323 1 6 . 1 1 48 48 SER C C 48 174.824 174.824 177.009 -2.185 25793 2324 1 6 . 1 1 48 48 SER CA C 48 58.531 58.531 61.943 -3.412 25793 2325 1 6 . 1 1 48 48 SER CB C 48 59.837 59.837 63.068 -3.231 25793 2326 1 6 . 1 1 48 48 SER H H 48 7.737 7.737 7.630 0.107 25793 2327 1 6 . 1 1 49 49 THR N N 49 118.158 118.158 117.978 0.180 25793 2328 1 6 . 1 1 49 49 THR HA H 49 3.885 3.885 3.943 -0.058 25793 2329 1 6 . 1 1 49 49 THR C C 49 173.322 173.322 176.201 -2.879 25793 2330 1 6 . 1 1 49 49 THR CA C 49 63.385 63.385 64.808 -1.423 25793 2331 1 6 . 1 1 49 49 THR CB C 49 65.997 65.997 68.745 -2.748 25793 2332 1 6 . 1 1 49 49 THR H H 49 7.784 7.784 7.453 0.331 25793 2333 1 6 . 1 1 50 50 LEU N N 50 118.727 118.727 120.591 -1.864 25793 2334 1 6 . 1 1 50 50 LEU HA H 50 4.050 4.050 4.282 -0.232 25793 2335 1 6 . 1 1 50 50 LEU C C 50 174.153 174.153 177.494 -3.341 25793 2336 1 6 . 1 1 50 50 LEU CA C 50 52.580 52.580 54.856 -2.276 25793 2337 1 6 . 1 1 50 50 LEU CB C 50 39.994 39.994 42.344 -2.350 25793 2338 1 6 . 1 1 50 50 LEU H H 50 7.734 7.734 7.667 0.067 25793 2339 1 6 . 1 1 51 51 GLY N N 51 108.894 108.894 107.757 1.137 25793 2340 1 6 . 1 1 51 51 GLY C C 51 171.597 171.597 174.062 -2.465 25793 2341 1 6 . 1 1 51 51 GLY CA C 51 43.400 43.400 45.390 -1.990 25793 2342 1 6 . 1 1 51 51 GLY H H 51 7.698 7.698 7.690 0.008 25793 2343 1 6 . 1 1 52 52 LEU N N 52 119.252 119.252 120.160 -0.908 25793 2344 1 6 . 1 1 52 52 LEU HA H 52 4.638 4.638 4.567 0.071 25793 2345 1 6 . 1 1 52 52 LEU C C 52 172.244 172.244 176.342 -4.098 25793 2346 1 6 . 1 1 52 52 LEU CA C 52 50.261 50.261 54.097 -3.836 25793 2347 1 6 . 1 1 52 52 LEU CB C 52 42.411 42.411 44.337 -1.926 25793 2348 1 6 . 1 1 52 52 LEU H H 52 7.661 7.661 7.644 0.017 25793 2349 1 6 . 1 1 53 53 ASP N N 53 121.433 121.433 124.588 -3.155 25793 2350 1 6 . 1 1 53 53 ASP HA H 53 4.658 4.658 4.696 -0.038 25793 2351 1 6 . 1 1 53 53 ASP C C 53 174.204 174.204 177.178 -2.974 25793 2352 1 6 . 1 1 53 53 ASP CA C 53 50.435 50.435 55.077 -4.642 25793 2353 1 6 . 1 1 53 53 ASP CB C 53 40.206 40.206 41.917 -1.711 25793 2354 1 6 . 1 1 53 53 ASP H H 53 8.127 8.127 8.546 -0.419 25793 2355 1 6 . 1 1 54 54 ILE N N 54 125.804 125.804 127.001 -1.197 25793 2356 1 6 . 1 1 54 54 ILE HA H 54 3.797 3.797 3.718 0.079 25793 2357 1 6 . 1 1 54 54 ILE C C 54 176.613 176.613 177.134 -0.521 25793 2358 1 6 . 1 1 54 54 ILE CA C 54 62.133 62.133 64.429 -2.296 25793 2359 1 6 . 1 1 54 54 ILE CB C 54 35.036 35.036 38.622 -3.586 25793 2360 1 6 . 1 1 54 54 ILE H H 54 8.788 8.788 8.742 0.046 25793 2361 1 6 . 1 1 55 55 GLU N N 55 125.797 125.797 117.649 8.148 25793 2362 1 6 . 1 1 55 55 GLU HA H 55 4.009 4.009 3.936 0.073 25793 2363 1 6 . 1 1 55 55 GLU C C 55 176.730 176.730 178.627 -1.897 25793 2364 1 6 . 1 1 55 55 GLU CA C 55 57.998 57.998 59.665 -1.667 25793 2365 1 6 . 1 1 55 55 GLU CB C 55 25.895 25.895 29.150 -3.255 25793 2366 1 6 . 1 1 55 55 GLU H H 55 8.945 8.945 8.775 0.170 25793 2367 1 6 . 1 1 56 56 THR N N 56 117.286 117.286 113.549 3.737 25793 2368 1 6 . 1 1 56 56 THR HA H 56 3.817 3.817 4.116 -0.299 25793 2369 1 6 . 1 1 56 56 THR C C 56 174.617 174.617 175.937 -1.320 25793 2370 1 6 . 1 1 56 56 THR CA C 56 63.766 63.766 65.504 -1.738 25793 2371 1 6 . 1 1 56 56 THR CB C 56 65.452 65.452 68.267 -2.815 25793 2372 1 6 . 1 1 56 56 THR H H 56 8.240 8.240 7.635 0.605 25793 2373 1 6 . 1 1 57 57 ALA N N 57 125.072 125.072 123.879 1.193 25793 2374 1 6 . 1 1 57 57 ALA HA H 57 4.230 4.230 4.257 -0.027 25793 2375 1 6 . 1 1 57 57 ALA C C 57 176.346 176.346 179.371 -3.025 25793 2376 1 6 . 1 1 57 57 ALA CA C 57 52.650 52.650 54.869 -2.219 25793 2377 1 6 . 1 1 57 57 ALA CB C 57 17.400 17.400 18.328 -0.928 25793 2378 1 6 . 1 1 57 57 ALA H H 57 8.121 8.121 8.008 0.113 25793 2379 1 6 . 1 1 58 58 THR N N 58 115.752 115.752 109.518 6.234 25793 2380 1 6 . 1 1 58 58 THR HA H 58 3.632 3.632 4.023 -0.391 25793 2381 1 6 . 1 1 58 58 THR C C 58 172.862 172.862 176.465 -3.603 25793 2382 1 6 . 1 1 58 58 THR CA C 58 65.100 65.100 65.001 0.099 25793 2383 1 6 . 1 1 58 58 THR CB C 58 66.100 66.100 68.779 -2.679 25793 2384 1 6 . 1 1 58 58 THR H H 58 8.381 8.381 8.438 -0.057 25793 2385 1 6 . 1 1 59 59 ARG N N 59 120.537 120.537 121.158 -0.621 25793 2386 1 6 . 1 1 59 59 ARG HA H 59 3.911 3.911 4.241 -0.330 25793 2387 1 6 . 1 1 59 59 ARG C C 59 176.099 176.099 177.747 -1.648 25793 2388 1 6 . 1 1 59 59 ARG CA C 59 56.616 56.616 58.644 -2.028 25793 2389 1 6 . 1 1 59 59 ARG CB C 59 27.022 27.022 30.573 -3.551 25793 2390 1 6 . 1 1 59 59 ARG H H 59 7.245 7.245 7.318 -0.073 25793 2391 1 6 . 1 1 60 60 ALA N N 60 121.996 121.996 121.820 0.176 25793 2392 1 6 . 1 1 60 60 ALA HA H 60 4.120 4.120 4.148 -0.028 25793 2393 1 6 . 1 1 60 60 ALA C C 60 178.745 178.745 179.661 -0.916 25793 2394 1 6 . 1 1 60 60 ALA CA C 60 52.000 52.000 54.962 -2.962 25793 2395 1 6 . 1 1 60 60 ALA CB C 60 15.824 15.824 18.417 -2.593 25793 2396 1 6 . 1 1 60 60 ALA H H 60 7.489 7.489 8.368 -0.879 25793 2397 1 6 . 1 1 61 61 GLY N N 61 108.024 108.024 104.910 3.114 25793 2398 1 6 . 1 1 61 61 GLY C C 61 171.515 171.515 175.406 -3.891 25793 2399 1 6 . 1 1 61 61 GLY CA C 61 43.797 43.797 46.006 -2.209 25793 2400 1 6 . 1 1 61 61 GLY H H 61 8.721 8.721 8.150 0.571 25793 2401 1 6 . 1 1 62 62 LYS N N 62 123.393 123.393 121.627 1.766 25793 2402 1 6 . 1 1 62 62 LYS HA H 62 1.780 1.780 2.490 -0.710 25793 2403 1 6 . 1 1 62 62 LYS C C 62 174.612 174.612 178.301 -3.689 25793 2404 1 6 . 1 1 62 62 LYS CA C 62 56.683 56.683 58.939 -2.256 25793 2405 1 6 . 1 1 62 62 LYS CB C 62 29.920 29.920 31.764 -1.844 25793 2406 1 6 . 1 1 62 62 LYS H H 62 7.683 7.683 7.383 0.300 25793 2407 1 6 . 1 1 63 63 GLN N N 63 114.582 114.582 116.183 -1.601 25793 2408 1 6 . 1 1 63 63 GLN HA H 63 3.920 3.920 3.976 -0.056 25793 2409 1 6 . 1 1 63 63 GLN C C 63 176.294 176.294 178.601 -2.307 25793 2410 1 6 . 1 1 63 63 GLN CA C 63 55.604 55.604 58.389 -2.785 25793 2411 1 6 . 1 1 63 63 GLN CB C 63 25.557 25.557 28.796 -3.239 25793 2412 1 6 . 1 1 63 63 GLN H H 63 6.637 6.637 7.433 -0.796 25793 2413 1 6 . 1 1 64 64 ILE N N 64 119.051 119.051 114.256 4.795 25793 2414 1 6 . 1 1 64 64 ILE HA H 64 3.571 3.571 4.009 -0.438 25793 2415 1 6 . 1 1 64 64 ILE C C 64 175.402 175.402 176.171 -0.769 25793 2416 1 6 . 1 1 64 64 ILE CA C 64 62.529 62.529 63.576 -1.047 25793 2417 1 6 . 1 1 64 64 ILE CB C 64 36.198 36.198 37.959 -1.761 25793 2418 1 6 . 1 1 64 64 ILE H H 64 7.092 7.092 7.219 -0.127 25793 2419 1 6 . 1 1 65 65 VAL N N 65 118.800 118.800 120.561 -1.761 25793 2420 1 6 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.868 -0.482 25793 2421 1 6 . 1 1 65 65 VAL C C 65 174.546 174.546 177.395 -2.849 25793 2422 1 6 . 1 1 65 65 VAL CA C 65 64.500 64.500 65.345 -0.845 25793 2423 1 6 . 1 1 65 65 VAL CB C 65 28.300 28.300 32.493 -4.193 25793 2424 1 6 . 1 1 65 65 VAL H H 65 8.103 8.103 7.145 0.958 25793 2425 1 6 . 1 1 66 66 GLU N N 66 118.966 118.966 119.884 -0.918 25793 2426 1 6 . 1 1 66 66 GLU HA H 66 3.810 3.810 3.893 -0.083 25793 2427 1 6 . 1 1 66 66 GLU C C 66 176.292 176.292 179.302 -3.010 25793 2428 1 6 . 1 1 66 66 GLU CA C 66 57.618 57.618 59.960 -2.342 25793 2429 1 6 . 1 1 66 66 GLU CB C 66 26.391 26.391 29.512 -3.121 25793 2430 1 6 . 1 1 66 66 GLU H H 66 8.654 8.654 7.701 0.953 25793 2431 1 6 . 1 1 67 67 ARG N N 67 118.499 118.499 118.328 0.171 25793 2432 1 6 . 1 1 67 67 ARG HA H 67 3.990 3.990 4.033 -0.043 25793 2433 1 6 . 1 1 67 67 ARG C C 67 176.039 176.039 179.071 -3.032 25793 2434 1 6 . 1 1 67 67 ARG CA C 67 56.996 56.996 58.713 -1.717 25793 2435 1 6 . 1 1 67 67 ARG CB C 67 26.783 26.783 29.902 -3.119 25793 2436 1 6 . 1 1 67 67 ARG H H 67 7.270 7.270 8.347 -1.077 25793 2437 1 6 . 1 1 68 68 ILE N N 68 120.031 120.031 117.231 2.800 25793 2438 1 6 . 1 1 68 68 ILE HA H 68 3.721 3.721 3.977 -0.256 25793 2439 1 6 . 1 1 68 68 ILE C C 68 176.061 176.061 176.309 -0.248 25793 2440 1 6 . 1 1 68 68 ILE CA C 68 61.970 61.970 63.862 -1.892 25793 2441 1 6 . 1 1 68 68 ILE CB C 68 35.254 35.254 37.999 -2.745 25793 2442 1 6 . 1 1 68 68 ILE H H 68 7.569 7.569 7.886 -0.317 25793 2443 1 6 . 1 1 69 69 LEU N N 69 118.859 118.859 117.391 1.468 25793 2444 1 6 . 1 1 69 69 LEU HA H 69 4.127 4.127 4.418 -0.291 25793 2445 1 6 . 1 1 69 69 LEU C C 69 176.859 176.859 178.331 -1.472 25793 2446 1 6 . 1 1 69 69 LEU CA C 69 54.525 54.525 56.286 -1.761 25793 2447 1 6 . 1 1 69 69 LEU CB C 69 38.150 38.150 42.659 -4.509 25793 2448 1 6 . 1 1 69 69 LEU H H 69 8.305 8.305 7.287 1.018 25793 2449 1 6 . 1 1 70 70 LYS N N 70 119.685 119.685 118.433 1.252 25793 2450 1 6 . 1 1 70 70 LYS HA H 70 4.098 4.098 4.184 -0.086 25793 2451 1 6 . 1 1 70 70 LYS C C 70 175.484 175.484 178.320 -2.836 25793 2452 1 6 . 1 1 70 70 LYS CA C 70 55.580 55.580 58.254 -2.674 25793 2453 1 6 . 1 1 70 70 LYS CB C 70 29.700 29.700 32.409 -2.709 25793 2454 1 6 . 1 1 70 70 LYS H H 70 7.748 7.748 7.402 0.346 25793 2455 1 6 . 1 1 71 71 GLU N N 71 118.055 118.055 118.649 -0.594 25793 2456 1 6 . 1 1 71 71 GLU HA H 71 4.175 4.175 4.296 -0.121 25793 2457 1 6 . 1 1 71 71 GLU C C 71 174.094 174.094 176.947 -2.853 25793 2458 1 6 . 1 1 71 71 GLU CA C 71 54.411 54.411 57.555 -3.144 25793 2459 1 6 . 1 1 71 71 GLU CB C 71 27.038 27.038 29.226 -2.188 25793 2460 1 6 . 1 1 71 71 GLU H H 71 7.644 7.644 8.006 -0.362 25793 2461 1 6 . 1 1 72 72 GLU N N 72 118.922 118.922 118.114 0.808 25793 2462 1 6 . 1 1 72 72 GLU HA H 72 4.164 4.164 4.394 -0.230 25793 2463 1 6 . 1 1 72 72 GLU C C 72 172.677 172.677 176.702 -4.025 25793 2464 1 6 . 1 1 72 72 GLU CA C 72 53.047 53.047 57.021 -3.974 25793 2465 1 6 . 1 1 72 72 GLU CB C 72 25.297 25.297 30.382 -5.085 25793 2466 1 6 . 1 1 72 72 GLU H H 72 7.603 7.603 8.551 -0.948 25793 2467 1 7 . 1 1 2 2 ASP HA H 2 4.703 4.703 5.025 -0.322 25793 2468 1 7 . 1 1 2 2 ASP C C 2 173.678 173.678 174.753 -1.075 25793 2469 1 7 . 1 1 2 2 ASP CA C 2 51.357 51.357 54.257 -2.900 25793 2470 1 7 . 1 1 2 2 ASP CB C 2 39.114 39.114 42.586 -3.472 25793 2471 1 7 . 1 1 3 3 SER N N 3 118.993 118.993 118.695 0.298 25793 2472 1 7 . 1 1 3 3 SER HA H 3 4.237 4.237 4.412 -0.175 25793 2473 1 7 . 1 1 3 3 SER C C 3 173.240 173.240 175.210 -1.970 25793 2474 1 7 . 1 1 3 3 SER CA C 3 57.300 57.300 59.971 -2.671 25793 2475 1 7 . 1 1 3 3 SER CB C 3 60.653 60.653 64.221 -3.568 25793 2476 1 7 . 1 1 3 3 SER H H 3 8.745 8.745 8.810 -0.065 25793 2477 1 7 . 1 1 4 4 ASN N N 4 122.369 122.369 119.747 2.622 25793 2478 1 7 . 1 1 4 4 ASN HA H 4 4.576 4.576 4.741 -0.165 25793 2479 1 7 . 1 1 4 4 ASN C C 4 176.101 176.101 176.296 -0.195 25793 2480 1 7 . 1 1 4 4 ASN CA C 4 52.488 52.488 55.347 -2.859 25793 2481 1 7 . 1 1 4 4 ASN CB C 4 33.507 33.507 38.833 -5.326 25793 2482 1 7 . 1 1 4 4 ASN H H 4 8.865 8.865 8.773 0.092 25793 2483 1 7 . 1 1 5 5 THR N N 5 122.349 122.349 115.330 7.019 25793 2484 1 7 . 1 1 5 5 THR HA H 5 4.330 4.330 4.327 0.003 25793 2485 1 7 . 1 1 5 5 THR C C 5 174.576 174.576 175.641 -1.065 25793 2486 1 7 . 1 1 5 5 THR CA C 5 63.330 63.330 64.647 -1.317 25793 2487 1 7 . 1 1 5 5 THR CB C 5 66.155 66.155 68.749 -2.594 25793 2488 1 7 . 1 1 5 5 THR H H 5 8.200 8.200 8.115 0.085 25793 2489 1 7 . 1 1 6 6 VAL N N 6 124.255 124.255 118.304 5.951 25793 2490 1 7 . 1 1 6 6 VAL HA H 6 3.480 3.480 3.977 -0.497 25793 2491 1 7 . 1 1 6 6 VAL C C 6 174.988 174.988 177.176 -2.188 25793 2492 1 7 . 1 1 6 6 VAL CA C 6 64.919 64.919 64.743 0.175 25793 2493 1 7 . 1 1 6 6 VAL CB C 6 28.699 28.699 32.518 -3.819 25793 2494 1 7 . 1 1 6 6 VAL H H 6 7.590 7.590 7.833 -0.243 25793 2495 1 7 . 1 1 7 7 SER N N 7 116.402 116.402 116.328 0.074 25793 2496 1 7 . 1 1 7 7 SER HA H 7 4.459 4.459 4.356 0.103 25793 2497 1 7 . 1 1 7 7 SER C C 7 173.494 173.494 176.463 -2.969 25793 2498 1 7 . 1 1 7 7 SER CA C 7 59.174 59.174 61.859 -2.685 25793 2499 1 7 . 1 1 7 7 SER CB C 7 60.020 60.020 62.991 -2.971 25793 2500 1 7 . 1 1 7 7 SER H H 7 8.721 8.721 8.227 0.494 25793 2501 1 7 . 1 1 8 8 SER N N 8 116.463 116.463 116.985 -0.522 25793 2502 1 7 . 1 1 8 8 SER HA H 8 3.745 3.745 4.370 -0.625 25793 2503 1 7 . 1 1 8 8 SER C C 8 171.540 171.540 175.771 -4.231 25793 2504 1 7 . 1 1 8 8 SER CA C 8 60.322 60.322 61.132 -0.810 25793 2505 1 7 . 1 1 8 8 SER CB C 8 60.785 60.785 63.238 -2.453 25793 2506 1 7 . 1 1 8 8 SER H H 8 8.213 8.213 7.800 0.413 25793 2507 1 7 . 1 1 9 9 PHE N N 9 121.530 121.530 123.075 -1.545 25793 2508 1 7 . 1 1 9 9 PHE HA H 9 4.405 4.405 4.539 -0.134 25793 2509 1 7 . 1 1 9 9 PHE C C 9 174.481 174.481 176.972 -2.491 25793 2510 1 7 . 1 1 9 9 PHE CA C 9 58.488 58.488 60.282 -1.794 25793 2511 1 7 . 1 1 9 9 PHE CB C 9 36.397 36.397 39.627 -3.230 25793 2512 1 7 . 1 1 9 9 PHE H H 9 7.387 7.387 7.406 -0.019 25793 2513 1 7 . 1 1 10 10 GLN N N 10 119.460 119.460 119.358 0.102 25793 2514 1 7 . 1 1 10 10 GLN HA H 10 3.516 3.516 3.849 -0.333 25793 2515 1 7 . 1 1 10 10 GLN C C 10 176.083 176.083 178.596 -2.513 25793 2516 1 7 . 1 1 10 10 GLN CA C 10 56.595 56.595 59.185 -2.590 25793 2517 1 7 . 1 1 10 10 GLN CB C 10 23.672 23.672 28.867 -5.195 25793 2518 1 7 . 1 1 10 10 GLN H H 10 8.335 8.335 8.416 -0.081 25793 2519 1 7 . 1 1 11 11 VAL N N 11 119.513 119.513 120.044 -0.531 25793 2520 1 7 . 1 1 11 11 VAL HA H 11 3.300 3.300 3.720 -0.420 25793 2521 1 7 . 1 1 11 11 VAL C C 11 174.535 174.535 177.159 -2.624 25793 2522 1 7 . 1 1 11 11 VAL CA C 11 65.180 65.180 67.007 -1.827 25793 2523 1 7 . 1 1 11 11 VAL CB C 11 28.300 28.300 31.990 -3.690 25793 2524 1 7 . 1 1 11 11 VAL H H 11 8.127 8.127 7.797 0.330 25793 2525 1 7 . 1 1 12 12 ASP N N 12 120.959 120.959 120.572 0.387 25793 2526 1 7 . 1 1 12 12 ASP HA H 12 4.414 4.414 4.482 -0.068 25793 2527 1 7 . 1 1 12 12 ASP C C 12 177.940 177.940 178.501 -0.561 25793 2528 1 7 . 1 1 12 12 ASP CA C 12 55.349 55.349 57.606 -2.257 25793 2529 1 7 . 1 1 12 12 ASP CB C 12 37.275 37.275 40.849 -3.574 25793 2530 1 7 . 1 1 12 12 ASP H H 12 8.116 8.116 7.719 0.397 25793 2531 1 7 . 1 1 13 13 CYS N N 13 119.479 119.479 118.279 1.200 25793 2532 1 7 . 1 1 13 13 CYS HA H 13 4.015 4.015 4.063 -0.048 25793 2533 1 7 . 1 1 13 13 CYS C C 13 175.349 175.349 176.482 -1.133 25793 2534 1 7 . 1 1 13 13 CYS CA C 13 62.384 62.384 63.812 -1.428 25793 2535 1 7 . 1 1 13 13 CYS CB C 13 23.610 23.610 27.473 -3.862 25793 2536 1 7 . 1 1 13 13 CYS H H 13 8.448 8.448 7.894 0.554 25793 2537 1 7 . 1 1 14 14 PHE N N 14 121.085 121.085 121.569 -0.484 25793 2538 1 7 . 1 1 14 14 PHE HA H 14 4.460 4.460 4.287 0.173 25793 2539 1 7 . 1 1 14 14 PHE C C 14 174.143 174.143 176.932 -2.789 25793 2540 1 7 . 1 1 14 14 PHE CA C 14 59.902 59.902 60.913 -1.011 25793 2541 1 7 . 1 1 14 14 PHE CB C 14 35.907 35.907 38.993 -3.087 25793 2542 1 7 . 1 1 14 14 PHE H H 14 8.244 8.244 7.559 0.685 25793 2543 1 7 . 1 1 15 15 LEU N N 15 118.069 118.069 118.479 -0.410 25793 2544 1 7 . 1 1 15 15 LEU HA H 15 3.735 3.735 3.789 -0.054 25793 2545 1 7 . 1 1 15 15 LEU C C 15 176.261 176.261 178.723 -2.462 25793 2546 1 7 . 1 1 15 15 LEU CA C 15 55.494 55.494 58.216 -2.722 25793 2547 1 7 . 1 1 15 15 LEU CB C 15 36.676 36.676 41.579 -4.903 25793 2548 1 7 . 1 1 15 15 LEU H H 15 9.072 9.072 8.106 0.966 25793 2549 1 7 . 1 1 16 16 TRP N N 16 120.587 120.587 119.775 0.812 25793 2550 1 7 . 1 1 16 16 TRP HA H 16 3.660 3.660 4.365 -0.705 25793 2551 1 7 . 1 1 16 16 TRP C C 16 173.925 173.925 177.856 -3.931 25793 2552 1 7 . 1 1 16 16 TRP CA C 16 61.127 61.127 61.623 -0.496 25793 2553 1 7 . 1 1 16 16 TRP CB C 16 26.247 26.247 29.749 -3.502 25793 2554 1 7 . 1 1 16 16 TRP H H 16 8.142 8.142 7.746 0.396 25793 2555 1 7 . 1 1 17 17 HIS N N 17 117.927 117.927 118.876 -0.949 25793 2556 1 7 . 1 1 17 17 HIS HA H 17 4.022 4.022 4.521 -0.498 25793 2557 1 7 . 1 1 17 17 HIS C C 17 173.650 173.650 176.782 -3.132 25793 2558 1 7 . 1 1 17 17 HIS CA C 17 57.350 57.350 59.359 -2.009 25793 2559 1 7 . 1 1 17 17 HIS CB C 17 25.231 25.231 30.096 -4.865 25793 2560 1 7 . 1 1 17 17 HIS H H 17 7.697 7.697 7.645 0.052 25793 2561 1 7 . 1 1 18 18 VAL N N 18 118.787 118.787 118.762 0.025 25793 2562 1 7 . 1 1 18 18 VAL HA H 18 2.949 2.949 3.607 -0.658 25793 2563 1 7 . 1 1 18 18 VAL C C 18 174.321 174.321 177.677 -3.356 25793 2564 1 7 . 1 1 18 18 VAL CA C 18 64.400 64.400 66.013 -1.613 25793 2565 1 7 . 1 1 18 18 VAL CB C 18 28.400 28.400 31.426 -3.026 25793 2566 1 7 . 1 1 18 18 VAL H H 18 7.651 7.651 7.679 -0.028 25793 2567 1 7 . 1 1 19 19 ARG N N 19 118.108 118.108 118.553 -0.445 25793 2568 1 7 . 1 1 19 19 ARG HA H 19 3.661 3.661 4.177 -0.516 25793 2569 1 7 . 1 1 19 19 ARG C C 19 174.575 174.575 178.339 -3.764 25793 2570 1 7 . 1 1 19 19 ARG CA C 19 57.558 57.558 59.198 -1.640 25793 2571 1 7 . 1 1 19 19 ARG CB C 19 28.140 28.140 29.930 -1.790 25793 2572 1 7 . 1 1 19 19 ARG H H 19 7.602 7.602 7.493 0.109 25793 2573 1 7 . 1 1 20 20 LYS N N 20 121.889 121.889 119.246 2.643 25793 2574 1 7 . 1 1 20 20 LYS HA H 20 3.530 3.530 4.125 -0.595 25793 2575 1 7 . 1 1 20 20 LYS C C 20 174.970 174.970 178.814 -3.844 25793 2576 1 7 . 1 1 20 20 LYS CA C 20 55.292 55.292 58.066 -2.775 25793 2577 1 7 . 1 1 20 20 LYS CB C 20 28.420 28.420 32.325 -3.905 25793 2578 1 7 . 1 1 20 20 LYS H H 20 8.304 8.304 7.772 0.532 25793 2579 1 7 . 1 1 21 21 ARG N N 21 118.825 118.825 118.305 0.520 25793 2580 1 7 . 1 1 21 21 ARG HA H 21 3.915 3.915 4.110 -0.195 25793 2581 1 7 . 1 1 21 21 ARG C C 21 176.513 176.513 177.279 -0.766 25793 2582 1 7 . 1 1 21 21 ARG CA C 21 55.003 55.003 58.554 -3.551 25793 2583 1 7 . 1 1 21 21 ARG CB C 21 26.002 26.002 30.165 -4.163 25793 2584 1 7 . 1 1 21 21 ARG H H 21 7.772 7.772 7.664 0.108 25793 2585 1 7 . 1 1 22 22 PHE N N 22 120.501 120.501 118.713 1.788 25793 2586 1 7 . 1 1 22 22 PHE HA H 22 3.899 3.899 4.320 -0.421 25793 2587 1 7 . 1 1 22 22 PHE C C 22 173.880 173.880 176.251 -2.371 25793 2588 1 7 . 1 1 22 22 PHE CA C 22 58.542 58.542 60.856 -2.314 25793 2589 1 7 . 1 1 22 22 PHE CB C 22 35.961 35.961 39.660 -3.699 25793 2590 1 7 . 1 1 22 22 PHE H H 22 7.799 7.799 7.566 0.233 25793 2591 1 7 . 1 1 23 23 ALA N N 23 123.040 123.040 121.175 1.865 25793 2592 1 7 . 1 1 23 23 ALA HA H 23 3.720 3.720 3.990 -0.270 25793 2593 1 7 . 1 1 23 23 ALA C C 23 179.545 179.545 180.060 -0.515 25793 2594 1 7 . 1 1 23 23 ALA CA C 23 51.750 51.750 55.199 -3.449 25793 2595 1 7 . 1 1 23 23 ALA CB C 23 15.970 15.970 18.181 -2.211 25793 2596 1 7 . 1 1 23 23 ALA H H 23 8.627 8.627 7.950 0.677 25793 2597 1 7 . 1 1 24 24 ASP N N 24 121.514 121.514 117.585 3.929 25793 2598 1 7 . 1 1 24 24 ASP HA H 24 4.323 4.323 4.525 -0.202 25793 2599 1 7 . 1 1 24 24 ASP C C 24 175.020 175.020 177.207 -2.187 25793 2600 1 7 . 1 1 24 24 ASP CA C 24 53.645 53.645 56.257 -2.611 25793 2601 1 7 . 1 1 24 24 ASP CB C 24 37.158 37.158 40.784 -3.626 25793 2602 1 7 . 1 1 24 24 ASP H H 24 8.846 8.846 7.884 0.962 25793 2603 1 7 . 1 1 25 25 GLN N N 25 118.127 118.127 117.574 0.553 25793 2604 1 7 . 1 1 25 25 GLN HA H 25 4.159 4.159 4.291 -0.132 25793 2605 1 7 . 1 1 25 25 GLN C C 25 171.680 171.680 174.929 -3.249 25793 2606 1 7 . 1 1 25 25 GLN CA C 25 53.101 53.101 55.474 -2.373 25793 2607 1 7 . 1 1 25 25 GLN CB C 25 25.351 25.351 29.627 -4.276 25793 2608 1 7 . 1 1 25 25 GLN H H 25 7.192 7.192 7.458 -0.266 25793 2609 1 7 . 1 1 26 26 GLU N N 26 112.361 112.361 117.420 -5.059 25793 2610 1 7 . 1 1 26 26 GLU HA H 26 3.906 3.906 3.852 0.054 25793 2611 1 7 . 1 1 26 26 GLU C C 26 173.060 173.060 175.882 -2.822 25793 2612 1 7 . 1 1 26 26 GLU CA C 26 54.352 54.352 57.515 -3.163 25793 2613 1 7 . 1 1 26 26 GLU CB C 26 22.759 22.759 27.679 -4.920 25793 2614 1 7 . 1 1 26 26 GLU H H 26 7.975 7.975 7.801 0.174 25793 2615 1 7 . 1 1 27 27 LEU N N 27 115.873 115.873 118.074 -2.201 25793 2616 1 7 . 1 1 27 27 LEU HA H 27 4.043 4.043 4.306 -0.263 25793 2617 1 7 . 1 1 27 27 LEU C C 27 172.610 172.610 175.443 -2.833 25793 2618 1 7 . 1 1 27 27 LEU CA C 27 50.921 50.921 53.901 -2.980 25793 2619 1 7 . 1 1 27 27 LEU CB C 27 40.359 40.359 42.264 -1.905 25793 2620 1 7 . 1 1 27 27 LEU H H 27 5.781 5.781 7.270 -1.489 25793 2621 1 7 . 1 1 28 28 GLY N N 28 103.011 103.011 106.116 -3.105 25793 2622 1 7 . 1 1 28 28 GLY C C 28 172.297 172.297 173.321 -1.024 25793 2623 1 7 . 1 1 28 28 GLY CA C 28 41.348 41.348 43.810 -2.462 25793 2624 1 7 . 1 1 28 28 GLY H H 28 7.785 7.785 7.468 0.317 25793 2625 1 7 . 1 1 29 29 ASP N N 29 122.671 122.671 120.132 2.539 25793 2626 1 7 . 1 1 29 29 ASP HA H 29 4.720 4.720 4.812 -0.092 25793 2627 1 7 . 1 1 29 29 ASP C C 29 172.137 172.137 177.512 -5.375 25793 2628 1 7 . 1 1 29 29 ASP CA C 29 48.748 48.748 53.346 -4.598 25793 2629 1 7 . 1 1 29 29 ASP CB C 29 38.519 38.519 43.120 -4.601 25793 2630 1 7 . 1 1 29 29 ASP H H 29 7.515 7.515 8.311 -0.796 25793 2631 1 7 . 1 1 30 30 ALA N N 30 119.757 119.757 123.001 -3.244 25793 2632 1 7 . 1 1 30 30 ALA HA H 30 4.240 4.240 4.226 0.014 25793 2633 1 7 . 1 1 30 30 ALA CA C 30 54.400 54.400 56.358 -1.958 25793 2634 1 7 . 1 1 30 30 ALA CB C 30 12.540 12.540 17.192 -4.652 25793 2635 1 7 . 1 1 30 30 ALA H H 30 8.492 8.492 8.644 -0.152 25793 2636 1 7 . 1 1 31 31 PRO HA H 31 4.361 4.361 4.212 0.149 25793 2637 1 7 . 1 1 31 31 PRO C C 31 175.699 175.699 178.717 -3.018 25793 2638 1 7 . 1 1 31 31 PRO CA C 31 63.220 63.220 65.757 -2.537 25793 2639 1 7 . 1 1 31 31 PRO CB C 31 28.336 28.336 31.463 -3.127 25793 2640 1 7 . 1 1 32 32 PHE N N 32 119.824 119.824 117.843 1.981 25793 2641 1 7 . 1 1 32 32 PHE HA H 32 3.885 3.885 4.146 -0.261 25793 2642 1 7 . 1 1 32 32 PHE C C 32 176.949 176.949 177.672 -0.723 25793 2643 1 7 . 1 1 32 32 PHE CA C 32 59.685 59.685 62.197 -2.512 25793 2644 1 7 . 1 1 32 32 PHE CB C 32 36.778 36.778 39.019 -2.241 25793 2645 1 7 . 1 1 32 32 PHE H H 32 7.949 7.949 7.680 0.269 25793 2646 1 7 . 1 1 33 33 LEU N N 33 121.755 121.755 118.989 2.766 25793 2647 1 7 . 1 1 33 33 LEU HA H 33 4.063 4.063 3.988 0.075 25793 2648 1 7 . 1 1 33 33 LEU C C 33 176.490 176.490 178.759 -2.269 25793 2649 1 7 . 1 1 33 33 LEU CA C 33 54.968 54.968 58.494 -3.526 25793 2650 1 7 . 1 1 33 33 LEU CB C 33 38.335 38.335 41.821 -3.486 25793 2651 1 7 . 1 1 33 33 LEU H H 33 8.386 8.386 7.751 0.635 25793 2652 1 7 . 1 1 34 34 ASP N N 34 121.771 121.771 119.684 2.087 25793 2653 1 7 . 1 1 34 34 ASP HA H 34 4.399 4.399 4.344 0.055 25793 2654 1 7 . 1 1 34 34 ASP C C 34 176.196 176.196 179.233 -3.037 25793 2655 1 7 . 1 1 34 34 ASP CA C 34 54.871 54.871 57.990 -3.119 25793 2656 1 7 . 1 1 34 34 ASP CB C 34 38.471 38.471 40.799 -2.328 25793 2657 1 7 . 1 1 34 34 ASP H H 34 8.252 8.252 7.930 0.322 25793 2658 1 7 . 1 1 35 35 ARG N N 35 119.119 119.119 119.417 -0.298 25793 2659 1 7 . 1 1 35 35 ARG HA H 35 3.818 3.818 4.024 -0.206 25793 2660 1 7 . 1 1 35 35 ARG C C 35 175.752 175.752 178.879 -3.127 25793 2661 1 7 . 1 1 35 35 ARG CA C 35 57.302 57.302 58.986 -1.685 25793 2662 1 7 . 1 1 35 35 ARG CB C 35 27.486 27.486 30.185 -2.699 25793 2663 1 7 . 1 1 35 35 ARG H H 35 8.197 8.197 7.474 0.723 25793 2664 1 7 . 1 1 36 36 LEU N N 36 120.940 120.940 120.665 0.275 25793 2665 1 7 . 1 1 36 36 LEU HA H 36 3.872 3.872 4.107 -0.235 25793 2666 1 7 . 1 1 36 36 LEU C C 36 177.676 177.676 179.174 -1.498 25793 2667 1 7 . 1 1 36 36 LEU CA C 36 55.818 55.818 58.299 -2.481 25793 2668 1 7 . 1 1 36 36 LEU CB C 36 40.156 40.156 41.764 -1.608 25793 2669 1 7 . 1 1 36 36 LEU H H 36 7.735 7.735 8.096 -0.361 25793 2670 1 7 . 1 1 37 37 ARG N N 37 120.596 120.596 118.002 2.594 25793 2671 1 7 . 1 1 37 37 ARG HA H 37 4.241 4.241 4.063 0.178 25793 2672 1 7 . 1 1 37 37 ARG C C 37 174.571 174.571 178.951 -4.380 25793 2673 1 7 . 1 1 37 37 ARG CA C 37 56.891 56.891 59.809 -2.918 25793 2674 1 7 . 1 1 37 37 ARG CB C 37 27.936 27.936 29.920 -1.984 25793 2675 1 7 . 1 1 37 37 ARG H H 37 8.006 8.006 7.868 0.138 25793 2676 1 7 . 1 1 38 38 ARG N N 38 121.436 121.436 118.878 2.558 25793 2677 1 7 . 1 1 38 38 ARG HA H 38 3.987 3.987 4.088 -0.101 25793 2678 1 7 . 1 1 38 38 ARG C C 38 177.290 177.290 178.200 -0.910 25793 2679 1 7 . 1 1 38 38 ARG CA C 38 57.131 57.131 59.059 -1.928 25793 2680 1 7 . 1 1 38 38 ARG CB C 38 27.450 27.450 30.260 -2.810 25793 2681 1 7 . 1 1 38 38 ARG H H 38 8.307 8.307 7.649 0.658 25793 2682 1 7 . 1 1 39 39 ASP N N 39 120.034 120.034 117.993 2.041 25793 2683 1 7 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.699 -0.170 25793 2684 1 7 . 1 1 39 39 ASP C C 39 174.864 174.864 177.949 -3.085 25793 2685 1 7 . 1 1 39 39 ASP CA C 39 53.700 53.700 56.887 -3.187 25793 2686 1 7 . 1 1 39 39 ASP CB C 39 37.158 37.158 41.471 -4.314 25793 2687 1 7 . 1 1 39 39 ASP H H 39 8.737 8.737 7.801 0.936 25793 2688 1 7 . 1 1 40 40 GLN N N 40 121.853 121.853 120.411 1.442 25793 2689 1 7 . 1 1 40 40 GLN HA H 40 2.999 2.999 3.618 -0.619 25793 2690 1 7 . 1 1 40 40 GLN C C 40 175.010 175.010 177.769 -2.759 25793 2691 1 7 . 1 1 40 40 GLN CA C 40 56.747 56.747 59.129 -2.382 25793 2692 1 7 . 1 1 40 40 GLN CB C 40 25.196 25.196 28.559 -3.363 25793 2693 1 7 . 1 1 40 40 GLN H H 40 7.954 7.954 8.219 -0.265 25793 2694 1 7 . 1 1 41 41 LYS N N 41 117.346 117.346 118.760 -1.414 25793 2695 1 7 . 1 1 41 41 LYS HA H 41 3.914 3.914 4.040 -0.126 25793 2696 1 7 . 1 1 41 41 LYS C C 41 177.117 177.117 179.339 -2.222 25793 2697 1 7 . 1 1 41 41 LYS CA C 41 56.689 56.689 59.212 -2.523 25793 2698 1 7 . 1 1 41 41 LYS CB C 41 29.446 29.446 31.995 -2.549 25793 2699 1 7 . 1 1 41 41 LYS H H 41 7.014 7.014 7.583 -0.569 25793 2700 1 7 . 1 1 42 42 SER N N 42 115.844 115.844 115.903 -0.059 25793 2701 1 7 . 1 1 42 42 SER HA H 42 4.262 4.262 4.341 -0.079 25793 2702 1 7 . 1 1 42 42 SER C C 42 175.262 175.262 176.315 -1.053 25793 2703 1 7 . 1 1 42 42 SER CA C 42 58.256 58.256 61.046 -2.790 25793 2704 1 7 . 1 1 42 42 SER CB C 42 59.683 59.683 62.948 -3.265 25793 2705 1 7 . 1 1 42 42 SER H H 42 7.875 7.875 7.656 0.219 25793 2706 1 7 . 1 1 43 43 LEU N N 43 123.254 123.254 123.282 -0.028 25793 2707 1 7 . 1 1 43 43 LEU HA H 43 4.082 4.082 4.096 -0.014 25793 2708 1 7 . 1 1 43 43 LEU C C 43 176.505 176.505 178.805 -2.300 25793 2709 1 7 . 1 1 43 43 LEU CA C 43 55.621 55.621 58.618 -2.997 25793 2710 1 7 . 1 1 43 43 LEU CB C 43 38.460 38.460 42.075 -3.615 25793 2711 1 7 . 1 1 43 43 LEU H H 43 8.736 8.736 8.357 0.379 25793 2712 1 7 . 1 1 44 44 ARG N N 44 118.877 118.877 117.872 1.005 25793 2713 1 7 . 1 1 44 44 ARG HA H 44 4.011 4.011 4.029 -0.018 25793 2714 1 7 . 1 1 44 44 ARG C C 44 177.379 177.379 179.031 -1.652 25793 2715 1 7 . 1 1 44 44 ARG CA C 44 56.911 56.911 59.622 -2.711 25793 2716 1 7 . 1 1 44 44 ARG CB C 44 26.602 26.602 30.084 -3.482 25793 2717 1 7 . 1 1 44 44 ARG H H 44 7.686 7.686 8.143 -0.457 25793 2718 1 7 . 1 1 45 45 GLY N N 45 107.372 107.372 105.971 1.401 25793 2719 1 7 . 1 1 45 45 GLY C C 45 173.935 173.935 175.761 -1.826 25793 2720 1 7 . 1 1 45 45 GLY CA C 45 44.395 44.395 46.315 -1.920 25793 2721 1 7 . 1 1 45 45 GLY H H 45 7.762 7.762 7.929 -0.167 25793 2722 1 7 . 1 1 46 46 ARG N N 46 123.780 123.780 121.963 1.817 25793 2723 1 7 . 1 1 46 46 ARG HA H 46 3.902 3.902 4.180 -0.278 25793 2724 1 7 . 1 1 46 46 ARG C C 46 175.910 175.910 178.271 -2.361 25793 2725 1 7 . 1 1 46 46 ARG CA C 46 56.375 56.375 58.226 -1.851 25793 2726 1 7 . 1 1 46 46 ARG CB C 46 28.851 28.851 30.239 -1.388 25793 2727 1 7 . 1 1 46 46 ARG H H 46 8.381 8.381 7.480 0.901 25793 2728 1 7 . 1 1 47 47 GLY N N 47 107.330 107.330 107.003 0.327 25793 2729 1 7 . 1 1 47 47 GLY C C 47 173.406 173.406 175.893 -2.487 25793 2730 1 7 . 1 1 47 47 GLY CA C 47 45.429 45.429 46.752 -1.323 25793 2731 1 7 . 1 1 47 47 GLY H H 47 8.782 8.782 7.868 0.914 25793 2732 1 7 . 1 1 48 48 SER N N 48 116.214 116.214 117.417 -1.203 25793 2733 1 7 . 1 1 48 48 SER HA H 48 4.200 4.200 4.103 0.097 25793 2734 1 7 . 1 1 48 48 SER C C 48 174.824 174.824 176.975 -2.151 25793 2735 1 7 . 1 1 48 48 SER CA C 48 58.531 58.531 62.010 -3.479 25793 2736 1 7 . 1 1 48 48 SER CB C 48 59.837 59.837 63.021 -3.184 25793 2737 1 7 . 1 1 48 48 SER H H 48 7.737 7.737 7.632 0.105 25793 2738 1 7 . 1 1 49 49 THR N N 49 118.158 118.158 118.310 -0.152 25793 2739 1 7 . 1 1 49 49 THR HA H 49 3.885 3.885 3.955 -0.070 25793 2740 1 7 . 1 1 49 49 THR C C 49 173.322 173.322 176.228 -2.906 25793 2741 1 7 . 1 1 49 49 THR CA C 49 63.385 63.385 64.985 -1.600 25793 2742 1 7 . 1 1 49 49 THR CB C 49 65.997 65.997 68.823 -2.826 25793 2743 1 7 . 1 1 49 49 THR H H 49 7.784 7.784 7.447 0.337 25793 2744 1 7 . 1 1 50 50 LEU N N 50 118.727 118.727 120.220 -1.493 25793 2745 1 7 . 1 1 50 50 LEU HA H 50 4.050 4.050 4.284 -0.234 25793 2746 1 7 . 1 1 50 50 LEU C C 50 174.153 174.153 177.393 -3.240 25793 2747 1 7 . 1 1 50 50 LEU CA C 50 52.580 52.580 55.015 -2.435 25793 2748 1 7 . 1 1 50 50 LEU CB C 50 39.994 39.994 42.499 -2.505 25793 2749 1 7 . 1 1 50 50 LEU H H 50 7.734 7.734 7.644 0.090 25793 2750 1 7 . 1 1 51 51 GLY N N 51 108.894 108.894 107.647 1.247 25793 2751 1 7 . 1 1 51 51 GLY C C 51 171.597 171.597 174.055 -2.458 25793 2752 1 7 . 1 1 51 51 GLY CA C 51 43.400 43.400 45.306 -1.906 25793 2753 1 7 . 1 1 51 51 GLY H H 51 7.698 7.698 7.708 -0.010 25793 2754 1 7 . 1 1 52 52 LEU N N 52 119.252 119.252 120.182 -0.930 25793 2755 1 7 . 1 1 52 52 LEU HA H 52 4.638 4.638 4.565 0.073 25793 2756 1 7 . 1 1 52 52 LEU C C 52 172.244 172.244 176.400 -4.156 25793 2757 1 7 . 1 1 52 52 LEU CA C 52 50.261 50.261 54.162 -3.901 25793 2758 1 7 . 1 1 52 52 LEU CB C 52 42.411 42.411 44.357 -1.946 25793 2759 1 7 . 1 1 52 52 LEU H H 52 7.661 7.661 7.685 -0.024 25793 2760 1 7 . 1 1 53 53 ASP N N 53 121.433 121.433 124.522 -3.089 25793 2761 1 7 . 1 1 53 53 ASP HA H 53 4.658 4.658 4.696 -0.038 25793 2762 1 7 . 1 1 53 53 ASP C C 53 174.204 174.204 177.177 -2.973 25793 2763 1 7 . 1 1 53 53 ASP CA C 53 50.435 50.435 55.099 -4.664 25793 2764 1 7 . 1 1 53 53 ASP CB C 53 40.206 40.206 41.992 -1.786 25793 2765 1 7 . 1 1 53 53 ASP H H 53 8.127 8.127 8.544 -0.417 25793 2766 1 7 . 1 1 54 54 ILE N N 54 125.804 125.804 126.711 -0.907 25793 2767 1 7 . 1 1 54 54 ILE HA H 54 3.797 3.797 3.721 0.076 25793 2768 1 7 . 1 1 54 54 ILE C C 54 176.613 176.613 177.176 -0.563 25793 2769 1 7 . 1 1 54 54 ILE CA C 54 62.133 62.133 64.292 -2.159 25793 2770 1 7 . 1 1 54 54 ILE CB C 54 35.036 35.036 38.636 -3.600 25793 2771 1 7 . 1 1 54 54 ILE H H 54 8.788 8.788 8.726 0.062 25793 2772 1 7 . 1 1 55 55 GLU N N 55 125.797 125.797 118.215 7.582 25793 2773 1 7 . 1 1 55 55 GLU HA H 55 4.009 4.009 3.936 0.073 25793 2774 1 7 . 1 1 55 55 GLU C C 55 176.730 176.730 178.807 -2.077 25793 2775 1 7 . 1 1 55 55 GLU CA C 55 57.998 57.998 59.702 -1.704 25793 2776 1 7 . 1 1 55 55 GLU CB C 55 25.895 25.895 29.100 -3.205 25793 2777 1 7 . 1 1 55 55 GLU H H 55 8.945 8.945 8.780 0.165 25793 2778 1 7 . 1 1 56 56 THR N N 56 117.286 117.286 112.226 5.060 25793 2779 1 7 . 1 1 56 56 THR HA H 56 3.817 3.817 4.113 -0.296 25793 2780 1 7 . 1 1 56 56 THR C C 56 174.617 174.617 176.145 -1.528 25793 2781 1 7 . 1 1 56 56 THR CA C 56 63.766 63.766 65.334 -1.568 25793 2782 1 7 . 1 1 56 56 THR CB C 56 65.452 65.452 68.669 -3.217 25793 2783 1 7 . 1 1 56 56 THR H H 56 8.240 8.240 7.794 0.446 25793 2784 1 7 . 1 1 57 57 ALA N N 57 125.072 125.072 123.874 1.198 25793 2785 1 7 . 1 1 57 57 ALA HA H 57 4.230 4.230 4.202 0.028 25793 2786 1 7 . 1 1 57 57 ALA C C 57 176.346 176.346 179.274 -2.928 25793 2787 1 7 . 1 1 57 57 ALA CA C 57 52.650 52.650 54.867 -2.217 25793 2788 1 7 . 1 1 57 57 ALA CB C 57 17.400 17.400 18.336 -0.936 25793 2789 1 7 . 1 1 57 57 ALA H H 57 8.121 8.121 7.787 0.334 25793 2790 1 7 . 1 1 58 58 THR N N 58 115.752 115.752 109.627 6.125 25793 2791 1 7 . 1 1 58 58 THR HA H 58 3.632 3.632 4.124 -0.492 25793 2792 1 7 . 1 1 58 58 THR C C 58 172.862 172.862 176.440 -3.578 25793 2793 1 7 . 1 1 58 58 THR CA C 58 65.100 65.100 64.923 0.177 25793 2794 1 7 . 1 1 58 58 THR CB C 58 66.100 66.100 68.952 -2.852 25793 2795 1 7 . 1 1 58 58 THR H H 58 8.381 8.381 8.247 0.134 25793 2796 1 7 . 1 1 59 59 ARG N N 59 120.537 120.537 120.898 -0.361 25793 2797 1 7 . 1 1 59 59 ARG HA H 59 3.911 3.911 4.237 -0.326 25793 2798 1 7 . 1 1 59 59 ARG C C 59 176.099 176.099 177.739 -1.640 25793 2799 1 7 . 1 1 59 59 ARG CA C 59 56.616 56.616 58.715 -2.099 25793 2800 1 7 . 1 1 59 59 ARG CB C 59 27.022 27.022 30.465 -3.443 25793 2801 1 7 . 1 1 59 59 ARG H H 59 7.245 7.245 7.348 -0.103 25793 2802 1 7 . 1 1 60 60 ALA N N 60 121.996 121.996 122.602 -0.606 25793 2803 1 7 . 1 1 60 60 ALA HA H 60 4.120 4.120 4.201 -0.081 25793 2804 1 7 . 1 1 60 60 ALA C C 60 178.745 178.745 179.428 -0.683 25793 2805 1 7 . 1 1 60 60 ALA CA C 60 52.000 52.000 54.841 -2.841 25793 2806 1 7 . 1 1 60 60 ALA CB C 60 15.824 15.824 18.564 -2.740 25793 2807 1 7 . 1 1 60 60 ALA H H 60 7.489 7.489 8.274 -0.785 25793 2808 1 7 . 1 1 61 61 GLY N N 61 108.024 108.024 105.136 2.888 25793 2809 1 7 . 1 1 61 61 GLY C C 61 171.515 171.515 175.423 -3.908 25793 2810 1 7 . 1 1 61 61 GLY CA C 61 43.797 43.797 46.282 -2.485 25793 2811 1 7 . 1 1 61 61 GLY H H 61 8.721 8.721 8.219 0.502 25793 2812 1 7 . 1 1 62 62 LYS N N 62 123.393 123.393 121.954 1.439 25793 2813 1 7 . 1 1 62 62 LYS HA H 62 1.780 1.780 2.585 -0.805 25793 2814 1 7 . 1 1 62 62 LYS C C 62 174.612 174.612 178.465 -3.853 25793 2815 1 7 . 1 1 62 62 LYS CA C 62 56.683 56.683 59.147 -2.464 25793 2816 1 7 . 1 1 62 62 LYS CB C 62 29.920 29.920 31.928 -2.009 25793 2817 1 7 . 1 1 62 62 LYS H H 62 7.683 7.683 7.385 0.298 25793 2818 1 7 . 1 1 63 63 GLN N N 63 114.582 114.582 116.406 -1.824 25793 2819 1 7 . 1 1 63 63 GLN HA H 63 3.920 3.920 3.971 -0.051 25793 2820 1 7 . 1 1 63 63 GLN C C 63 176.294 176.294 178.511 -2.217 25793 2821 1 7 . 1 1 63 63 GLN CA C 63 55.604 55.604 58.302 -2.698 25793 2822 1 7 . 1 1 63 63 GLN CB C 63 25.557 25.557 28.740 -3.183 25793 2823 1 7 . 1 1 63 63 GLN H H 63 6.637 6.637 7.372 -0.735 25793 2824 1 7 . 1 1 64 64 ILE N N 64 119.051 119.051 120.049 -0.998 25793 2825 1 7 . 1 1 64 64 ILE HA H 64 3.571 3.571 3.559 0.012 25793 2826 1 7 . 1 1 64 64 ILE C C 64 175.402 175.402 178.089 -2.687 25793 2827 1 7 . 1 1 64 64 ILE CA C 64 62.529 62.529 65.412 -2.883 25793 2828 1 7 . 1 1 64 64 ILE CB C 64 36.198 36.198 37.841 -1.643 25793 2829 1 7 . 1 1 64 64 ILE H H 64 7.092 7.092 7.142 -0.050 25793 2830 1 7 . 1 1 65 65 VAL N N 65 118.800 118.800 118.980 -0.180 25793 2831 1 7 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.483 -0.097 25793 2832 1 7 . 1 1 65 65 VAL C C 65 174.546 174.546 177.753 -3.207 25793 2833 1 7 . 1 1 65 65 VAL CA C 65 64.500 64.500 66.520 -2.021 25793 2834 1 7 . 1 1 65 65 VAL CB C 65 28.300 28.300 31.166 -2.866 25793 2835 1 7 . 1 1 65 65 VAL H H 65 8.103 8.103 7.767 0.336 25793 2836 1 7 . 1 1 66 66 GLU N N 66 118.966 118.966 119.199 -0.233 25793 2837 1 7 . 1 1 66 66 GLU HA H 66 3.810 3.810 3.982 -0.172 25793 2838 1 7 . 1 1 66 66 GLU C C 66 176.292 176.292 179.222 -2.930 25793 2839 1 7 . 1 1 66 66 GLU CA C 66 57.618 57.618 59.174 -1.556 25793 2840 1 7 . 1 1 66 66 GLU CB C 66 26.391 26.391 29.292 -2.901 25793 2841 1 7 . 1 1 66 66 GLU H H 66 8.654 8.654 7.456 1.198 25793 2842 1 7 . 1 1 67 67 ARG N N 67 118.499 118.499 118.780 -0.281 25793 2843 1 7 . 1 1 67 67 ARG HA H 67 3.990 3.990 4.035 -0.045 25793 2844 1 7 . 1 1 67 67 ARG C C 67 176.039 176.039 179.268 -3.229 25793 2845 1 7 . 1 1 67 67 ARG CA C 67 56.996 56.996 58.928 -1.932 25793 2846 1 7 . 1 1 67 67 ARG CB C 67 26.783 26.783 30.247 -3.463 25793 2847 1 7 . 1 1 67 67 ARG H H 67 7.270 7.270 7.815 -0.545 25793 2848 1 7 . 1 1 68 68 ILE N N 68 120.031 120.031 115.048 4.983 25793 2849 1 7 . 1 1 68 68 ILE HA H 68 3.721 3.721 4.122 -0.401 25793 2850 1 7 . 1 1 68 68 ILE C C 68 176.061 176.061 176.977 -0.916 25793 2851 1 7 . 1 1 68 68 ILE CA C 68 61.970 61.970 63.917 -1.947 25793 2852 1 7 . 1 1 68 68 ILE CB C 68 35.254 35.254 37.855 -2.601 25793 2853 1 7 . 1 1 68 68 ILE H H 68 7.569 7.569 8.369 -0.800 25793 2854 1 7 . 1 1 69 69 LEU N N 69 118.859 118.859 121.647 -2.788 25793 2855 1 7 . 1 1 69 69 LEU HA H 69 4.127 4.127 4.734 -0.607 25793 2856 1 7 . 1 1 69 69 LEU C C 69 176.859 176.859 178.469 -1.610 25793 2857 1 7 . 1 1 69 69 LEU CA C 69 54.525 54.525 56.769 -2.244 25793 2858 1 7 . 1 1 69 69 LEU CB C 69 38.150 38.150 42.536 -4.386 25793 2859 1 7 . 1 1 69 69 LEU H H 69 8.305 8.305 7.480 0.825 25793 2860 1 7 . 1 1 70 70 LYS N N 70 119.685 119.685 118.737 0.948 25793 2861 1 7 . 1 1 70 70 LYS HA H 70 4.098 4.098 4.213 -0.115 25793 2862 1 7 . 1 1 70 70 LYS C C 70 175.484 175.484 177.861 -2.377 25793 2863 1 7 . 1 1 70 70 LYS CA C 70 55.580 55.580 58.822 -3.243 25793 2864 1 7 . 1 1 70 70 LYS CB C 70 29.700 29.700 32.332 -2.632 25793 2865 1 7 . 1 1 70 70 LYS H H 70 7.748 7.748 7.608 0.140 25793 2866 1 7 . 1 1 71 71 GLU N N 71 118.055 118.055 118.578 -0.523 25793 2867 1 7 . 1 1 71 71 GLU HA H 71 4.175 4.175 4.323 -0.148 25793 2868 1 7 . 1 1 71 71 GLU C C 71 174.094 174.094 176.487 -2.393 25793 2869 1 7 . 1 1 71 71 GLU CA C 71 54.411 54.411 57.799 -3.388 25793 2870 1 7 . 1 1 71 71 GLU CB C 71 27.038 27.038 31.204 -4.166 25793 2871 1 7 . 1 1 71 71 GLU H H 71 7.644 7.644 8.004 -0.360 25793 2872 1 7 . 1 1 72 72 GLU N N 72 118.922 118.922 118.814 0.108 25793 2873 1 7 . 1 1 72 72 GLU HA H 72 4.164 4.164 4.634 -0.470 25793 2874 1 7 . 1 1 72 72 GLU C C 72 172.677 172.677 175.000 -2.323 25793 2875 1 7 . 1 1 72 72 GLU CA C 72 53.047 53.047 55.975 -2.928 25793 2876 1 7 . 1 1 72 72 GLU CB C 72 25.297 25.297 32.747 -7.450 25793 2877 1 7 . 1 1 72 72 GLU H H 72 7.603 7.603 7.793 -0.190 25793 2878 1 8 . 1 1 2 2 ASP HA H 2 4.703 4.703 4.976 -0.273 25793 2879 1 8 . 1 1 2 2 ASP C C 2 173.678 173.678 176.600 -2.922 25793 2880 1 8 . 1 1 2 2 ASP CA C 2 51.357 51.357 53.597 -2.240 25793 2881 1 8 . 1 1 2 2 ASP CB C 2 39.114 39.114 43.120 -4.006 25793 2882 1 8 . 1 1 3 3 SER N N 3 118.993 118.993 116.460 2.533 25793 2883 1 8 . 1 1 3 3 SER HA H 3 4.237 4.237 4.451 -0.214 25793 2884 1 8 . 1 1 3 3 SER C C 3 173.240 173.240 175.221 -1.981 25793 2885 1 8 . 1 1 3 3 SER CA C 3 57.300 57.300 59.433 -2.133 25793 2886 1 8 . 1 1 3 3 SER CB C 3 60.653 60.653 63.715 -3.062 25793 2887 1 8 . 1 1 3 3 SER H H 3 8.745 8.745 8.642 0.103 25793 2888 1 8 . 1 1 4 4 ASN N N 4 122.369 122.369 119.653 2.716 25793 2889 1 8 . 1 1 4 4 ASN HA H 4 4.576 4.576 4.676 -0.100 25793 2890 1 8 . 1 1 4 4 ASN C C 4 176.101 176.101 176.793 -0.692 25793 2891 1 8 . 1 1 4 4 ASN CA C 4 52.488 52.488 54.900 -2.412 25793 2892 1 8 . 1 1 4 4 ASN CB C 4 33.507 33.507 38.989 -5.481 25793 2893 1 8 . 1 1 4 4 ASN H H 4 8.865 8.865 8.538 0.327 25793 2894 1 8 . 1 1 5 5 THR N N 5 122.349 122.349 116.117 6.232 25793 2895 1 8 . 1 1 5 5 THR HA H 5 4.330 4.330 4.275 0.055 25793 2896 1 8 . 1 1 5 5 THR C C 5 174.576 174.576 175.250 -0.674 25793 2897 1 8 . 1 1 5 5 THR CA C 5 63.330 63.330 65.097 -1.766 25793 2898 1 8 . 1 1 5 5 THR CB C 5 66.155 66.155 69.192 -3.037 25793 2899 1 8 . 1 1 5 5 THR H H 5 8.200 8.200 7.407 0.793 25793 2900 1 8 . 1 1 6 6 VAL N N 6 124.255 124.255 119.703 4.552 25793 2901 1 8 . 1 1 6 6 VAL HA H 6 3.480 3.480 4.134 -0.654 25793 2902 1 8 . 1 1 6 6 VAL C C 6 174.988 174.988 176.935 -1.947 25793 2903 1 8 . 1 1 6 6 VAL CA C 6 64.919 64.919 65.035 -0.116 25793 2904 1 8 . 1 1 6 6 VAL CB C 6 28.699 28.699 32.389 -3.689 25793 2905 1 8 . 1 1 6 6 VAL H H 6 7.590 7.590 7.699 -0.109 25793 2906 1 8 . 1 1 7 7 SER N N 7 116.402 116.402 116.804 -0.402 25793 2907 1 8 . 1 1 7 7 SER HA H 7 4.459 4.459 4.450 0.009 25793 2908 1 8 . 1 1 7 7 SER C C 7 173.494 173.494 176.681 -3.187 25793 2909 1 8 . 1 1 7 7 SER CA C 7 59.174 59.174 61.942 -2.768 25793 2910 1 8 . 1 1 7 7 SER CB C 7 60.020 60.020 62.873 -2.853 25793 2911 1 8 . 1 1 7 7 SER H H 7 8.721 8.721 8.075 0.646 25793 2912 1 8 . 1 1 8 8 SER N N 8 116.463 116.463 117.016 -0.553 25793 2913 1 8 . 1 1 8 8 SER HA H 8 3.745 3.745 4.368 -0.623 25793 2914 1 8 . 1 1 8 8 SER C C 8 171.540 171.540 176.206 -4.666 25793 2915 1 8 . 1 1 8 8 SER CA C 8 60.322 60.322 61.152 -0.830 25793 2916 1 8 . 1 1 8 8 SER CB C 8 60.785 60.785 63.239 -2.454 25793 2917 1 8 . 1 1 8 8 SER H H 8 8.213 8.213 7.869 0.344 25793 2918 1 8 . 1 1 9 9 PHE N N 9 121.530 121.530 123.516 -1.986 25793 2919 1 8 . 1 1 9 9 PHE HA H 9 4.405 4.405 4.515 -0.110 25793 2920 1 8 . 1 1 9 9 PHE C C 9 174.481 174.481 176.599 -2.118 25793 2921 1 8 . 1 1 9 9 PHE CA C 9 58.488 58.488 60.324 -1.835 25793 2922 1 8 . 1 1 9 9 PHE CB C 9 36.397 36.397 39.554 -3.157 25793 2923 1 8 . 1 1 9 9 PHE H H 9 7.387 7.387 7.339 0.048 25793 2924 1 8 . 1 1 10 10 GLN N N 10 119.460 119.460 119.505 -0.045 25793 2925 1 8 . 1 1 10 10 GLN HA H 10 3.516 3.516 3.763 -0.247 25793 2926 1 8 . 1 1 10 10 GLN C C 10 176.083 176.083 178.478 -2.395 25793 2927 1 8 . 1 1 10 10 GLN CA C 10 56.595 56.595 59.290 -2.695 25793 2928 1 8 . 1 1 10 10 GLN CB C 10 23.672 23.672 28.803 -5.131 25793 2929 1 8 . 1 1 10 10 GLN H H 10 8.335 8.335 8.245 0.090 25793 2930 1 8 . 1 1 11 11 VAL N N 11 119.513 119.513 119.299 0.214 25793 2931 1 8 . 1 1 11 11 VAL HA H 11 3.300 3.300 3.729 -0.429 25793 2932 1 8 . 1 1 11 11 VAL C C 11 174.535 174.535 177.547 -3.012 25793 2933 1 8 . 1 1 11 11 VAL CA C 11 65.180 65.180 66.598 -1.418 25793 2934 1 8 . 1 1 11 11 VAL CB C 11 28.300 28.300 31.781 -3.481 25793 2935 1 8 . 1 1 11 11 VAL H H 11 8.127 8.127 8.109 0.018 25793 2936 1 8 . 1 1 12 12 ASP N N 12 120.959 120.959 121.110 -0.151 25793 2937 1 8 . 1 1 12 12 ASP HA H 12 4.414 4.414 4.476 -0.062 25793 2938 1 8 . 1 1 12 12 ASP C C 12 177.940 177.940 178.358 -0.418 25793 2939 1 8 . 1 1 12 12 ASP CA C 12 55.349 55.349 58.086 -2.737 25793 2940 1 8 . 1 1 12 12 ASP CB C 12 37.275 37.275 40.611 -3.336 25793 2941 1 8 . 1 1 12 12 ASP H H 12 8.116 8.116 7.775 0.341 25793 2942 1 8 . 1 1 13 13 CYS N N 13 119.479 119.479 118.603 0.876 25793 2943 1 8 . 1 1 13 13 CYS HA H 13 4.015 4.015 4.146 -0.131 25793 2944 1 8 . 1 1 13 13 CYS C C 13 175.349 175.349 177.182 -1.833 25793 2945 1 8 . 1 1 13 13 CYS CA C 13 62.384 62.384 64.184 -1.800 25793 2946 1 8 . 1 1 13 13 CYS CB C 13 23.610 23.610 27.512 -3.902 25793 2947 1 8 . 1 1 13 13 CYS H H 13 8.448 8.448 7.848 0.600 25793 2948 1 8 . 1 1 14 14 PHE N N 14 121.085 121.085 122.433 -1.348 25793 2949 1 8 . 1 1 14 14 PHE HA H 14 4.460 4.460 4.276 0.184 25793 2950 1 8 . 1 1 14 14 PHE C C 14 174.143 174.143 176.589 -2.446 25793 2951 1 8 . 1 1 14 14 PHE CA C 14 59.902 59.902 61.235 -1.333 25793 2952 1 8 . 1 1 14 14 PHE CB C 14 35.907 35.907 38.900 -2.993 25793 2953 1 8 . 1 1 14 14 PHE H H 14 8.244 8.244 7.678 0.566 25793 2954 1 8 . 1 1 15 15 LEU N N 15 118.069 118.069 119.595 -1.526 25793 2955 1 8 . 1 1 15 15 LEU HA H 15 3.735 3.735 3.785 -0.050 25793 2956 1 8 . 1 1 15 15 LEU C C 15 176.261 176.261 178.743 -2.482 25793 2957 1 8 . 1 1 15 15 LEU CA C 15 55.494 55.494 58.879 -3.385 25793 2958 1 8 . 1 1 15 15 LEU CB C 15 36.676 36.676 41.720 -5.044 25793 2959 1 8 . 1 1 15 15 LEU H H 15 9.072 9.072 8.562 0.510 25793 2960 1 8 . 1 1 16 16 TRP N N 16 120.587 120.587 120.035 0.552 25793 2961 1 8 . 1 1 16 16 TRP HA H 16 3.660 3.660 4.285 -0.625 25793 2962 1 8 . 1 1 16 16 TRP C C 16 173.925 173.925 177.806 -3.881 25793 2963 1 8 . 1 1 16 16 TRP CA C 16 61.127 61.127 61.588 -0.461 25793 2964 1 8 . 1 1 16 16 TRP CB C 16 26.247 26.247 29.600 -3.353 25793 2965 1 8 . 1 1 16 16 TRP H H 16 8.142 8.142 8.451 -0.309 25793 2966 1 8 . 1 1 17 17 HIS N N 17 117.927 117.927 118.626 -0.699 25793 2967 1 8 . 1 1 17 17 HIS HA H 17 4.022 4.022 4.177 -0.155 25793 2968 1 8 . 1 1 17 17 HIS C C 17 173.650 173.650 177.031 -3.381 25793 2969 1 8 . 1 1 17 17 HIS CA C 17 57.350 57.350 59.646 -2.296 25793 2970 1 8 . 1 1 17 17 HIS CB C 17 25.231 25.231 29.893 -4.662 25793 2971 1 8 . 1 1 17 17 HIS H H 17 7.697 7.697 7.589 0.108 25793 2972 1 8 . 1 1 18 18 VAL N N 18 118.787 118.787 119.801 -1.014 25793 2973 1 8 . 1 1 18 18 VAL HA H 18 2.949 2.949 3.433 -0.484 25793 2974 1 8 . 1 1 18 18 VAL C C 18 174.321 174.321 177.714 -3.393 25793 2975 1 8 . 1 1 18 18 VAL CA C 18 64.400 64.400 66.364 -1.964 25793 2976 1 8 . 1 1 18 18 VAL CB C 18 28.400 28.400 31.372 -2.972 25793 2977 1 8 . 1 1 18 18 VAL H H 18 7.651 7.651 7.782 -0.131 25793 2978 1 8 . 1 1 19 19 ARG N N 19 118.108 118.108 118.851 -0.743 25793 2979 1 8 . 1 1 19 19 ARG HA H 19 3.661 3.661 4.093 -0.432 25793 2980 1 8 . 1 1 19 19 ARG C C 19 174.575 174.575 178.092 -3.517 25793 2981 1 8 . 1 1 19 19 ARG CA C 19 57.558 57.558 59.220 -1.662 25793 2982 1 8 . 1 1 19 19 ARG CB C 19 28.140 28.140 30.238 -2.099 25793 2983 1 8 . 1 1 19 19 ARG H H 19 7.602 7.602 7.595 0.007 25793 2984 1 8 . 1 1 20 20 LYS N N 20 121.889 121.889 119.247 2.642 25793 2985 1 8 . 1 1 20 20 LYS HA H 20 3.530 3.530 3.925 -0.395 25793 2986 1 8 . 1 1 20 20 LYS C C 20 174.970 174.970 178.664 -3.694 25793 2987 1 8 . 1 1 20 20 LYS CA C 20 55.292 55.292 58.198 -2.906 25793 2988 1 8 . 1 1 20 20 LYS CB C 20 28.420 28.420 31.330 -2.910 25793 2989 1 8 . 1 1 20 20 LYS H H 20 8.304 8.304 7.878 0.426 25793 2990 1 8 . 1 1 21 21 ARG N N 21 118.825 118.825 118.706 0.119 25793 2991 1 8 . 1 1 21 21 ARG HA H 21 3.915 3.915 4.091 -0.176 25793 2992 1 8 . 1 1 21 21 ARG C C 21 176.513 176.513 177.205 -0.692 25793 2993 1 8 . 1 1 21 21 ARG CA C 21 55.003 55.003 58.309 -3.305 25793 2994 1 8 . 1 1 21 21 ARG CB C 21 26.002 26.002 30.268 -4.266 25793 2995 1 8 . 1 1 21 21 ARG H H 21 7.772 7.772 7.455 0.317 25793 2996 1 8 . 1 1 22 22 PHE N N 22 120.501 120.501 119.486 1.015 25793 2997 1 8 . 1 1 22 22 PHE HA H 22 3.899 3.899 4.322 -0.423 25793 2998 1 8 . 1 1 22 22 PHE C C 22 173.880 173.880 175.986 -2.106 25793 2999 1 8 . 1 1 22 22 PHE CA C 22 58.542 58.542 60.187 -1.645 25793 3000 1 8 . 1 1 22 22 PHE CB C 22 35.961 35.961 39.590 -3.628 25793 3001 1 8 . 1 1 22 22 PHE H H 22 7.799 7.799 7.481 0.318 25793 3002 1 8 . 1 1 23 23 ALA N N 23 123.040 123.040 121.487 1.553 25793 3003 1 8 . 1 1 23 23 ALA HA H 23 3.720 3.720 4.045 -0.325 25793 3004 1 8 . 1 1 23 23 ALA C C 23 179.545 179.545 179.844 -0.299 25793 3005 1 8 . 1 1 23 23 ALA CA C 23 51.750 51.750 54.735 -2.985 25793 3006 1 8 . 1 1 23 23 ALA CB C 23 15.970 15.970 18.340 -2.370 25793 3007 1 8 . 1 1 23 23 ALA H H 23 8.627 8.627 8.214 0.413 25793 3008 1 8 . 1 1 24 24 ASP N N 24 121.514 121.514 117.603 3.911 25793 3009 1 8 . 1 1 24 24 ASP HA H 24 4.323 4.323 4.494 -0.171 25793 3010 1 8 . 1 1 24 24 ASP C C 24 175.020 175.020 177.165 -2.145 25793 3011 1 8 . 1 1 24 24 ASP CA C 24 53.645 53.645 56.261 -2.616 25793 3012 1 8 . 1 1 24 24 ASP CB C 24 37.158 37.158 40.738 -3.580 25793 3013 1 8 . 1 1 24 24 ASP H H 24 8.846 8.846 7.858 0.988 25793 3014 1 8 . 1 1 25 25 GLN N N 25 118.127 118.127 117.428 0.699 25793 3015 1 8 . 1 1 25 25 GLN HA H 25 4.159 4.159 4.305 -0.146 25793 3016 1 8 . 1 1 25 25 GLN C C 25 171.680 171.680 174.809 -3.129 25793 3017 1 8 . 1 1 25 25 GLN CA C 25 53.101 53.101 55.516 -2.415 25793 3018 1 8 . 1 1 25 25 GLN CB C 25 25.351 25.351 29.860 -4.509 25793 3019 1 8 . 1 1 25 25 GLN H H 25 7.192 7.192 7.428 -0.236 25793 3020 1 8 . 1 1 26 26 GLU N N 26 112.361 112.361 117.445 -5.084 25793 3021 1 8 . 1 1 26 26 GLU HA H 26 3.906 3.906 3.859 0.047 25793 3022 1 8 . 1 1 26 26 GLU C C 26 173.060 173.060 174.852 -1.792 25793 3023 1 8 . 1 1 26 26 GLU CA C 26 54.352 54.352 57.081 -2.729 25793 3024 1 8 . 1 1 26 26 GLU CB C 26 22.759 22.759 27.606 -4.847 25793 3025 1 8 . 1 1 26 26 GLU H H 26 7.975 7.975 7.693 0.282 25793 3026 1 8 . 1 1 27 27 LEU N N 27 115.873 115.873 121.204 -5.331 25793 3027 1 8 . 1 1 27 27 LEU HA H 27 4.043 4.043 4.213 -0.170 25793 3028 1 8 . 1 1 27 27 LEU C C 27 172.610 172.610 175.909 -3.299 25793 3029 1 8 . 1 1 27 27 LEU CA C 27 50.921 50.921 54.024 -3.103 25793 3030 1 8 . 1 1 27 27 LEU CB C 27 40.359 40.359 42.409 -2.050 25793 3031 1 8 . 1 1 27 27 LEU H H 27 5.781 5.781 7.233 -1.452 25793 3032 1 8 . 1 1 28 28 GLY N N 28 103.011 103.011 110.843 -7.832 25793 3033 1 8 . 1 1 28 28 GLY C C 28 172.297 172.297 173.256 -0.959 25793 3034 1 8 . 1 1 28 28 GLY CA C 28 41.348 41.348 44.064 -2.716 25793 3035 1 8 . 1 1 28 28 GLY H H 28 7.785 7.785 7.935 -0.150 25793 3036 1 8 . 1 1 29 29 ASP N N 29 122.671 122.671 120.448 2.223 25793 3037 1 8 . 1 1 29 29 ASP HA H 29 4.720 4.720 4.830 -0.110 25793 3038 1 8 . 1 1 29 29 ASP C C 29 172.137 172.137 177.624 -5.487 25793 3039 1 8 . 1 1 29 29 ASP CA C 29 48.748 48.748 53.347 -4.599 25793 3040 1 8 . 1 1 29 29 ASP CB C 29 38.519 38.519 42.180 -3.661 25793 3041 1 8 . 1 1 29 29 ASP H H 29 7.515 7.515 8.285 -0.770 25793 3042 1 8 . 1 1 30 30 ALA N N 30 119.757 119.757 122.753 -2.996 25793 3043 1 8 . 1 1 30 30 ALA HA H 30 4.240 4.240 4.259 -0.019 25793 3044 1 8 . 1 1 30 30 ALA CA C 30 54.400 54.400 55.344 -0.944 25793 3045 1 8 . 1 1 30 30 ALA CB C 30 12.540 12.540 17.455 -4.915 25793 3046 1 8 . 1 1 30 30 ALA H H 30 8.492 8.492 8.570 -0.078 25793 3047 1 8 . 1 1 31 31 PRO HA H 31 4.361 4.361 4.480 -0.119 25793 3048 1 8 . 1 1 31 31 PRO C C 31 175.699 175.699 177.899 -2.200 25793 3049 1 8 . 1 1 31 31 PRO CA C 31 63.220 63.220 64.514 -1.294 25793 3050 1 8 . 1 1 31 31 PRO CB C 31 28.336 28.336 31.370 -3.034 25793 3051 1 8 . 1 1 32 32 PHE N N 32 119.824 119.824 118.627 1.197 25793 3052 1 8 . 1 1 32 32 PHE HA H 32 3.885 3.885 4.334 -0.449 25793 3053 1 8 . 1 1 32 32 PHE C C 32 176.949 176.949 177.139 -0.190 25793 3054 1 8 . 1 1 32 32 PHE CA C 32 59.685 59.685 61.578 -1.893 25793 3055 1 8 . 1 1 32 32 PHE CB C 32 36.778 36.778 39.505 -2.727 25793 3056 1 8 . 1 1 32 32 PHE H H 32 7.949 7.949 7.661 0.288 25793 3057 1 8 . 1 1 33 33 LEU N N 33 121.755 121.755 119.477 2.278 25793 3058 1 8 . 1 1 33 33 LEU HA H 33 4.063 4.063 4.137 -0.074 25793 3059 1 8 . 1 1 33 33 LEU C C 33 176.490 176.490 178.732 -2.242 25793 3060 1 8 . 1 1 33 33 LEU CA C 33 54.968 54.968 57.463 -2.495 25793 3061 1 8 . 1 1 33 33 LEU CB C 33 38.335 38.335 41.063 -2.728 25793 3062 1 8 . 1 1 33 33 LEU H H 33 8.386 8.386 7.695 0.691 25793 3063 1 8 . 1 1 34 34 ASP N N 34 121.771 121.771 120.178 1.593 25793 3064 1 8 . 1 1 34 34 ASP HA H 34 4.399 4.399 4.324 0.075 25793 3065 1 8 . 1 1 34 34 ASP C C 34 176.196 176.196 178.936 -2.740 25793 3066 1 8 . 1 1 34 34 ASP CA C 34 54.871 54.871 58.123 -3.252 25793 3067 1 8 . 1 1 34 34 ASP CB C 34 38.471 38.471 40.857 -2.386 25793 3068 1 8 . 1 1 34 34 ASP H H 34 8.252 8.252 7.542 0.710 25793 3069 1 8 . 1 1 35 35 ARG N N 35 119.119 119.119 119.098 0.021 25793 3070 1 8 . 1 1 35 35 ARG HA H 35 3.818 3.818 3.995 -0.177 25793 3071 1 8 . 1 1 35 35 ARG C C 35 175.752 175.752 178.729 -2.977 25793 3072 1 8 . 1 1 35 35 ARG CA C 35 57.302 57.302 59.106 -1.804 25793 3073 1 8 . 1 1 35 35 ARG CB C 35 27.486 27.486 30.235 -2.748 25793 3074 1 8 . 1 1 35 35 ARG H H 35 8.197 8.197 7.811 0.386 25793 3075 1 8 . 1 1 36 36 LEU N N 36 120.940 120.940 120.168 0.772 25793 3076 1 8 . 1 1 36 36 LEU HA H 36 3.872 3.872 4.074 -0.202 25793 3077 1 8 . 1 1 36 36 LEU C C 36 177.676 177.676 178.907 -1.231 25793 3078 1 8 . 1 1 36 36 LEU CA C 36 55.818 55.818 58.204 -2.386 25793 3079 1 8 . 1 1 36 36 LEU CB C 36 40.156 40.156 42.061 -1.905 25793 3080 1 8 . 1 1 36 36 LEU H H 36 7.735 7.735 7.910 -0.175 25793 3081 1 8 . 1 1 37 37 ARG N N 37 120.596 120.596 117.765 2.831 25793 3082 1 8 . 1 1 37 37 ARG HA H 37 4.241 4.241 4.028 0.213 25793 3083 1 8 . 1 1 37 37 ARG C C 37 174.571 174.571 178.809 -4.238 25793 3084 1 8 . 1 1 37 37 ARG CA C 37 56.891 56.891 59.692 -2.801 25793 3085 1 8 . 1 1 37 37 ARG CB C 37 27.936 27.936 29.935 -1.999 25793 3086 1 8 . 1 1 37 37 ARG H H 37 8.006 8.006 7.633 0.373 25793 3087 1 8 . 1 1 38 38 ARG N N 38 121.436 121.436 118.495 2.941 25793 3088 1 8 . 1 1 38 38 ARG HA H 38 3.987 3.987 4.065 -0.078 25793 3089 1 8 . 1 1 38 38 ARG C C 38 177.290 177.290 178.222 -0.932 25793 3090 1 8 . 1 1 38 38 ARG CA C 38 57.131 57.131 59.172 -2.041 25793 3091 1 8 . 1 1 38 38 ARG CB C 38 27.450 27.450 30.115 -2.665 25793 3092 1 8 . 1 1 38 38 ARG H H 38 8.307 8.307 7.585 0.722 25793 3093 1 8 . 1 1 39 39 ASP N N 39 120.034 120.034 117.852 2.182 25793 3094 1 8 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.630 -0.101 25793 3095 1 8 . 1 1 39 39 ASP C C 39 174.864 174.864 177.823 -2.959 25793 3096 1 8 . 1 1 39 39 ASP CA C 39 53.700 53.700 56.700 -3.000 25793 3097 1 8 . 1 1 39 39 ASP CB C 39 37.158 37.158 41.688 -4.530 25793 3098 1 8 . 1 1 39 39 ASP H H 39 8.737 8.737 7.604 1.133 25793 3099 1 8 . 1 1 40 40 GLN N N 40 121.853 121.853 120.691 1.162 25793 3100 1 8 . 1 1 40 40 GLN HA H 40 2.999 2.999 3.669 -0.670 25793 3101 1 8 . 1 1 40 40 GLN C C 40 175.010 175.010 177.739 -2.729 25793 3102 1 8 . 1 1 40 40 GLN CA C 40 56.747 56.747 59.132 -2.385 25793 3103 1 8 . 1 1 40 40 GLN CB C 40 25.196 25.196 28.641 -3.445 25793 3104 1 8 . 1 1 40 40 GLN H H 40 7.954 7.954 7.934 0.020 25793 3105 1 8 . 1 1 41 41 LYS N N 41 117.346 117.346 119.098 -1.752 25793 3106 1 8 . 1 1 41 41 LYS HA H 41 3.914 3.914 4.021 -0.107 25793 3107 1 8 . 1 1 41 41 LYS C C 41 177.117 177.117 179.360 -2.243 25793 3108 1 8 . 1 1 41 41 LYS CA C 41 56.689 56.689 59.232 -2.543 25793 3109 1 8 . 1 1 41 41 LYS CB C 41 29.446 29.446 31.945 -2.499 25793 3110 1 8 . 1 1 41 41 LYS H H 41 7.014 7.014 7.546 -0.532 25793 3111 1 8 . 1 1 42 42 SER N N 42 115.844 115.844 116.153 -0.309 25793 3112 1 8 . 1 1 42 42 SER HA H 42 4.262 4.262 4.292 -0.030 25793 3113 1 8 . 1 1 42 42 SER C C 42 175.262 175.262 176.492 -1.230 25793 3114 1 8 . 1 1 42 42 SER CA C 42 58.256 58.256 61.191 -2.936 25793 3115 1 8 . 1 1 42 42 SER CB C 42 59.683 59.683 62.870 -3.187 25793 3116 1 8 . 1 1 42 42 SER H H 42 7.875 7.875 7.652 0.223 25793 3117 1 8 . 1 1 43 43 LEU N N 43 123.254 123.254 122.948 0.306 25793 3118 1 8 . 1 1 43 43 LEU HA H 43 4.082 4.082 4.073 0.009 25793 3119 1 8 . 1 1 43 43 LEU C C 43 176.505 176.505 178.924 -2.419 25793 3120 1 8 . 1 1 43 43 LEU CA C 43 55.621 55.621 58.351 -2.730 25793 3121 1 8 . 1 1 43 43 LEU CB C 43 38.460 38.460 42.065 -3.605 25793 3122 1 8 . 1 1 43 43 LEU H H 43 8.736 8.736 8.290 0.446 25793 3123 1 8 . 1 1 44 44 ARG N N 44 118.877 118.877 117.866 1.011 25793 3124 1 8 . 1 1 44 44 ARG HA H 44 4.011 4.011 4.005 0.006 25793 3125 1 8 . 1 1 44 44 ARG C C 44 177.379 177.379 178.977 -1.598 25793 3126 1 8 . 1 1 44 44 ARG CA C 44 56.911 56.911 59.494 -2.583 25793 3127 1 8 . 1 1 44 44 ARG CB C 44 26.602 26.602 30.076 -3.474 25793 3128 1 8 . 1 1 44 44 ARG H H 44 7.686 7.686 7.955 -0.269 25793 3129 1 8 . 1 1 45 45 GLY N N 45 107.372 107.372 106.023 1.349 25793 3130 1 8 . 1 1 45 45 GLY C C 45 173.935 173.935 175.730 -1.795 25793 3131 1 8 . 1 1 45 45 GLY CA C 45 44.395 44.395 46.354 -1.959 25793 3132 1 8 . 1 1 45 45 GLY H H 45 7.762 7.762 8.045 -0.283 25793 3133 1 8 . 1 1 46 46 ARG N N 46 123.780 123.780 121.777 2.003 25793 3134 1 8 . 1 1 46 46 ARG HA H 46 3.902 3.902 4.193 -0.291 25793 3135 1 8 . 1 1 46 46 ARG C C 46 175.910 175.910 178.262 -2.352 25793 3136 1 8 . 1 1 46 46 ARG CA C 46 56.375 56.375 58.233 -1.858 25793 3137 1 8 . 1 1 46 46 ARG CB C 46 28.851 28.851 30.159 -1.308 25793 3138 1 8 . 1 1 46 46 ARG H H 46 8.381 8.381 7.491 0.890 25793 3139 1 8 . 1 1 47 47 GLY N N 47 107.330 107.330 107.102 0.228 25793 3140 1 8 . 1 1 47 47 GLY C C 47 173.406 173.406 175.995 -2.589 25793 3141 1 8 . 1 1 47 47 GLY CA C 47 45.429 45.429 46.753 -1.324 25793 3142 1 8 . 1 1 47 47 GLY H H 47 8.782 8.782 7.697 1.085 25793 3143 1 8 . 1 1 48 48 SER N N 48 116.214 116.214 117.168 -0.954 25793 3144 1 8 . 1 1 48 48 SER HA H 48 4.200 4.200 4.167 0.033 25793 3145 1 8 . 1 1 48 48 SER C C 48 174.824 174.824 177.071 -2.247 25793 3146 1 8 . 1 1 48 48 SER CA C 48 58.531 58.531 61.656 -3.125 25793 3147 1 8 . 1 1 48 48 SER CB C 48 59.837 59.837 62.678 -2.841 25793 3148 1 8 . 1 1 48 48 SER H H 48 7.737 7.737 7.627 0.110 25793 3149 1 8 . 1 1 49 49 THR N N 49 118.158 118.158 118.100 0.058 25793 3150 1 8 . 1 1 49 49 THR HA H 49 3.885 3.885 3.967 -0.082 25793 3151 1 8 . 1 1 49 49 THR C C 49 173.322 173.322 176.215 -2.893 25793 3152 1 8 . 1 1 49 49 THR CA C 49 63.385 63.385 64.914 -1.529 25793 3153 1 8 . 1 1 49 49 THR CB C 49 65.997 65.997 68.570 -2.573 25793 3154 1 8 . 1 1 49 49 THR H H 49 7.784 7.784 7.448 0.336 25793 3155 1 8 . 1 1 50 50 LEU N N 50 118.727 118.727 120.404 -1.677 25793 3156 1 8 . 1 1 50 50 LEU HA H 50 4.050 4.050 4.318 -0.268 25793 3157 1 8 . 1 1 50 50 LEU C C 50 174.153 174.153 177.420 -3.267 25793 3158 1 8 . 1 1 50 50 LEU CA C 50 52.580 52.580 54.915 -2.335 25793 3159 1 8 . 1 1 50 50 LEU CB C 50 39.994 39.994 42.400 -2.406 25793 3160 1 8 . 1 1 50 50 LEU H H 50 7.734 7.734 7.643 0.091 25793 3161 1 8 . 1 1 51 51 GLY N N 51 108.894 108.894 107.883 1.011 25793 3162 1 8 . 1 1 51 51 GLY C C 51 171.597 171.597 174.047 -2.450 25793 3163 1 8 . 1 1 51 51 GLY CA C 51 43.400 43.400 45.320 -1.920 25793 3164 1 8 . 1 1 51 51 GLY H H 51 7.698 7.698 7.750 -0.052 25793 3165 1 8 . 1 1 52 52 LEU N N 52 119.252 119.252 120.558 -1.306 25793 3166 1 8 . 1 1 52 52 LEU HA H 52 4.638 4.638 4.604 0.034 25793 3167 1 8 . 1 1 52 52 LEU C C 52 172.244 172.244 176.210 -3.966 25793 3168 1 8 . 1 1 52 52 LEU CA C 52 50.261 50.261 53.910 -3.649 25793 3169 1 8 . 1 1 52 52 LEU CB C 52 42.411 42.411 44.176 -1.765 25793 3170 1 8 . 1 1 52 52 LEU H H 52 7.661 7.661 7.714 -0.053 25793 3171 1 8 . 1 1 53 53 ASP N N 53 121.433 121.433 125.112 -3.679 25793 3172 1 8 . 1 1 53 53 ASP HA H 53 4.658 4.658 4.728 -0.070 25793 3173 1 8 . 1 1 53 53 ASP C C 53 174.204 174.204 177.257 -3.053 25793 3174 1 8 . 1 1 53 53 ASP CA C 53 50.435 50.435 54.833 -4.397 25793 3175 1 8 . 1 1 53 53 ASP CB C 53 40.206 40.206 42.191 -1.985 25793 3176 1 8 . 1 1 53 53 ASP H H 53 8.127 8.127 8.559 -0.432 25793 3177 1 8 . 1 1 54 54 ILE N N 54 125.804 125.804 127.614 -1.810 25793 3178 1 8 . 1 1 54 54 ILE HA H 54 3.797 3.797 3.693 0.104 25793 3179 1 8 . 1 1 54 54 ILE C C 54 176.613 176.613 177.248 -0.635 25793 3180 1 8 . 1 1 54 54 ILE CA C 54 62.133 62.133 64.445 -2.312 25793 3181 1 8 . 1 1 54 54 ILE CB C 54 35.036 35.036 38.610 -3.574 25793 3182 1 8 . 1 1 54 54 ILE H H 54 8.788 8.788 8.829 -0.041 25793 3183 1 8 . 1 1 55 55 GLU N N 55 125.797 125.797 118.997 6.800 25793 3184 1 8 . 1 1 55 55 GLU HA H 55 4.009 4.009 3.964 0.045 25793 3185 1 8 . 1 1 55 55 GLU C C 55 176.730 176.730 178.751 -2.021 25793 3186 1 8 . 1 1 55 55 GLU CA C 55 57.998 57.998 59.823 -1.825 25793 3187 1 8 . 1 1 55 55 GLU CB C 55 25.895 25.895 28.959 -3.064 25793 3188 1 8 . 1 1 55 55 GLU H H 55 8.945 8.945 8.719 0.226 25793 3189 1 8 . 1 1 56 56 THR N N 56 117.286 117.286 114.411 2.875 25793 3190 1 8 . 1 1 56 56 THR HA H 56 3.817 3.817 4.152 -0.335 25793 3191 1 8 . 1 1 56 56 THR C C 56 174.617 174.617 176.042 -1.425 25793 3192 1 8 . 1 1 56 56 THR CA C 56 63.766 63.766 64.621 -0.855 25793 3193 1 8 . 1 1 56 56 THR CB C 56 65.452 65.452 68.631 -3.179 25793 3194 1 8 . 1 1 56 56 THR H H 56 8.240 8.240 7.917 0.323 25793 3195 1 8 . 1 1 57 57 ALA N N 57 125.072 125.072 123.543 1.529 25793 3196 1 8 . 1 1 57 57 ALA HA H 57 4.230 4.230 4.110 0.120 25793 3197 1 8 . 1 1 57 57 ALA C C 57 176.346 176.346 179.162 -2.816 25793 3198 1 8 . 1 1 57 57 ALA CA C 57 52.650 52.650 55.222 -2.572 25793 3199 1 8 . 1 1 57 57 ALA CB C 57 17.400 17.400 18.293 -0.893 25793 3200 1 8 . 1 1 57 57 ALA H H 57 8.121 8.121 8.305 -0.184 25793 3201 1 8 . 1 1 58 58 THR N N 58 115.752 115.752 116.994 -1.242 25793 3202 1 8 . 1 1 58 58 THR HA H 58 3.632 3.632 4.038 -0.406 25793 3203 1 8 . 1 1 58 58 THR C C 58 172.862 172.862 176.783 -3.921 25793 3204 1 8 . 1 1 58 58 THR CA C 58 65.100 65.100 67.826 -2.726 25793 3205 1 8 . 1 1 58 58 THR CB C 58 66.100 66.100 68.769 -2.669 25793 3206 1 8 . 1 1 58 58 THR H H 58 8.381 8.381 7.937 0.444 25793 3207 1 8 . 1 1 59 59 ARG N N 59 120.537 120.537 120.357 0.180 25793 3208 1 8 . 1 1 59 59 ARG HA H 59 3.911 3.911 3.834 0.077 25793 3209 1 8 . 1 1 59 59 ARG C C 59 176.099 176.099 178.314 -2.215 25793 3210 1 8 . 1 1 59 59 ARG CA C 59 56.616 56.616 59.856 -3.240 25793 3211 1 8 . 1 1 59 59 ARG CB C 59 27.022 27.022 29.941 -2.919 25793 3212 1 8 . 1 1 59 59 ARG H H 59 7.245 7.245 7.586 -0.341 25793 3213 1 8 . 1 1 60 60 ALA N N 60 121.996 121.996 121.050 0.946 25793 3214 1 8 . 1 1 60 60 ALA HA H 60 4.120 4.120 4.138 -0.018 25793 3215 1 8 . 1 1 60 60 ALA C C 60 178.745 178.745 179.827 -1.082 25793 3216 1 8 . 1 1 60 60 ALA CA C 60 52.000 52.000 54.740 -2.740 25793 3217 1 8 . 1 1 60 60 ALA CB C 60 15.824 15.824 18.336 -2.512 25793 3218 1 8 . 1 1 60 60 ALA H H 60 7.489 7.489 7.719 -0.230 25793 3219 1 8 . 1 1 61 61 GLY N N 61 108.024 108.024 105.539 2.485 25793 3220 1 8 . 1 1 61 61 GLY C C 61 171.515 171.515 175.362 -3.847 25793 3221 1 8 . 1 1 61 61 GLY CA C 61 43.797 43.797 45.877 -2.080 25793 3222 1 8 . 1 1 61 61 GLY H H 61 8.721 8.721 8.241 0.480 25793 3223 1 8 . 1 1 62 62 LYS N N 62 123.393 123.393 121.364 2.029 25793 3224 1 8 . 1 1 62 62 LYS HA H 62 1.780 1.780 2.713 -0.933 25793 3225 1 8 . 1 1 62 62 LYS C C 62 174.612 174.612 178.308 -3.696 25793 3226 1 8 . 1 1 62 62 LYS CA C 62 56.683 56.683 59.092 -2.409 25793 3227 1 8 . 1 1 62 62 LYS CB C 62 29.920 29.920 32.094 -2.175 25793 3228 1 8 . 1 1 62 62 LYS H H 62 7.683 7.683 7.905 -0.222 25793 3229 1 8 . 1 1 63 63 GLN N N 63 114.582 114.582 116.732 -2.150 25793 3230 1 8 . 1 1 63 63 GLN HA H 63 3.920 3.920 3.975 -0.055 25793 3231 1 8 . 1 1 63 63 GLN C C 63 176.294 176.294 178.685 -2.391 25793 3232 1 8 . 1 1 63 63 GLN CA C 63 55.604 55.604 58.341 -2.737 25793 3233 1 8 . 1 1 63 63 GLN CB C 63 25.557 25.557 28.689 -3.132 25793 3234 1 8 . 1 1 63 63 GLN H H 63 6.637 6.637 7.409 -0.772 25793 3235 1 8 . 1 1 64 64 ILE N N 64 119.051 119.051 117.171 1.880 25793 3236 1 8 . 1 1 64 64 ILE HA H 64 3.571 3.571 3.877 -0.306 25793 3237 1 8 . 1 1 64 64 ILE C C 64 175.402 175.402 176.767 -1.365 25793 3238 1 8 . 1 1 64 64 ILE CA C 64 62.529 62.529 63.165 -0.636 25793 3239 1 8 . 1 1 64 64 ILE CB C 64 36.198 36.198 38.259 -2.061 25793 3240 1 8 . 1 1 64 64 ILE H H 64 7.092 7.092 7.379 -0.287 25793 3241 1 8 . 1 1 65 65 VAL N N 65 118.800 118.800 119.841 -1.041 25793 3242 1 8 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.877 -0.491 25793 3243 1 8 . 1 1 65 65 VAL C C 65 174.546 174.546 177.298 -2.752 25793 3244 1 8 . 1 1 65 65 VAL CA C 65 64.500 64.500 64.159 0.341 25793 3245 1 8 . 1 1 65 65 VAL CB C 65 28.300 28.300 32.106 -3.806 25793 3246 1 8 . 1 1 65 65 VAL H H 65 8.103 8.103 7.156 0.947 25793 3247 1 8 . 1 1 66 66 GLU N N 66 118.966 118.966 120.280 -1.314 25793 3248 1 8 . 1 1 66 66 GLU HA H 66 3.810 3.810 3.938 -0.128 25793 3249 1 8 . 1 1 66 66 GLU C C 66 176.292 176.292 179.349 -3.057 25793 3250 1 8 . 1 1 66 66 GLU CA C 66 57.618 57.618 59.732 -2.114 25793 3251 1 8 . 1 1 66 66 GLU CB C 66 26.391 26.391 29.576 -3.185 25793 3252 1 8 . 1 1 66 66 GLU H H 66 8.654 8.654 7.804 0.850 25793 3253 1 8 . 1 1 67 67 ARG N N 67 118.499 118.499 117.459 1.040 25793 3254 1 8 . 1 1 67 67 ARG HA H 67 3.990 3.990 4.049 -0.059 25793 3255 1 8 . 1 1 67 67 ARG C C 67 176.039 176.039 178.750 -2.711 25793 3256 1 8 . 1 1 67 67 ARG CA C 67 56.996 56.996 58.935 -1.940 25793 3257 1 8 . 1 1 67 67 ARG CB C 67 26.783 26.783 29.970 -3.187 25793 3258 1 8 . 1 1 67 67 ARG H H 67 7.270 7.270 8.175 -0.905 25793 3259 1 8 . 1 1 68 68 ILE N N 68 120.031 120.031 113.981 6.050 25793 3260 1 8 . 1 1 68 68 ILE HA H 68 3.721 3.721 3.974 -0.253 25793 3261 1 8 . 1 1 68 68 ILE C C 68 176.061 176.061 176.949 -0.888 25793 3262 1 8 . 1 1 68 68 ILE CA C 68 61.970 61.970 63.746 -1.776 25793 3263 1 8 . 1 1 68 68 ILE CB C 68 35.254 35.254 37.810 -2.556 25793 3264 1 8 . 1 1 68 68 ILE H H 68 7.569 7.569 7.840 -0.271 25793 3265 1 8 . 1 1 69 69 LEU N N 69 118.859 118.859 122.238 -3.379 25793 3266 1 8 . 1 1 69 69 LEU HA H 69 4.127 4.127 4.775 -0.648 25793 3267 1 8 . 1 1 69 69 LEU C C 69 176.859 176.859 178.788 -1.929 25793 3268 1 8 . 1 1 69 69 LEU CA C 69 54.525 54.525 56.890 -2.365 25793 3269 1 8 . 1 1 69 69 LEU CB C 69 38.150 38.150 42.493 -4.343 25793 3270 1 8 . 1 1 69 69 LEU H H 69 8.305 8.305 7.515 0.790 25793 3271 1 8 . 1 1 70 70 LYS N N 70 119.685 119.685 118.907 0.778 25793 3272 1 8 . 1 1 70 70 LYS HA H 70 4.098 4.098 4.160 -0.062 25793 3273 1 8 . 1 1 70 70 LYS C C 70 175.484 175.484 177.804 -2.320 25793 3274 1 8 . 1 1 70 70 LYS CA C 70 55.580 55.580 58.998 -3.418 25793 3275 1 8 . 1 1 70 70 LYS CB C 70 29.700 29.700 32.288 -2.588 25793 3276 1 8 . 1 1 70 70 LYS H H 70 7.748 7.748 7.524 0.224 25793 3277 1 8 . 1 1 71 71 GLU N N 71 118.055 118.055 117.806 0.249 25793 3278 1 8 . 1 1 71 71 GLU HA H 71 4.175 4.175 4.374 -0.199 25793 3279 1 8 . 1 1 71 71 GLU C C 71 174.094 174.094 176.244 -2.150 25793 3280 1 8 . 1 1 71 71 GLU CA C 71 54.411 54.411 57.250 -2.839 25793 3281 1 8 . 1 1 71 71 GLU CB C 71 27.038 27.038 31.441 -4.402 25793 3282 1 8 . 1 1 71 71 GLU H H 71 7.644 7.644 8.107 -0.463 25793 3283 1 8 . 1 1 72 72 GLU N N 72 118.922 118.922 119.424 -0.502 25793 3284 1 8 . 1 1 72 72 GLU HA H 72 4.164 4.164 4.637 -0.473 25793 3285 1 8 . 1 1 72 72 GLU C C 72 172.677 172.677 174.933 -2.256 25793 3286 1 8 . 1 1 72 72 GLU CA C 72 53.047 53.047 55.799 -2.752 25793 3287 1 8 . 1 1 72 72 GLU CB C 72 25.297 25.297 32.918 -7.621 25793 3288 1 8 . 1 1 72 72 GLU H H 72 7.603 7.603 8.088 -0.485 25793 3289 1 9 . 1 1 2 2 ASP HA H 2 4.703 4.703 5.069 -0.366 25793 3290 1 9 . 1 1 2 2 ASP C C 2 173.678 173.678 175.793 -2.115 25793 3291 1 9 . 1 1 2 2 ASP CA C 2 51.357 51.357 54.224 -2.867 25793 3292 1 9 . 1 1 2 2 ASP CB C 2 39.114 39.114 42.409 -3.295 25793 3293 1 9 . 1 1 3 3 SER N N 3 118.993 118.993 114.571 4.422 25793 3294 1 9 . 1 1 3 3 SER HA H 3 4.237 4.237 4.760 -0.523 25793 3295 1 9 . 1 1 3 3 SER C C 3 173.240 173.240 174.615 -1.375 25793 3296 1 9 . 1 1 3 3 SER CA C 3 57.300 57.300 57.581 -0.281 25793 3297 1 9 . 1 1 3 3 SER CB C 3 60.653 60.653 65.061 -4.408 25793 3298 1 9 . 1 1 3 3 SER H H 3 8.745 8.745 7.747 0.998 25793 3299 1 9 . 1 1 4 4 ASN N N 4 122.369 122.369 120.654 1.715 25793 3300 1 9 . 1 1 4 4 ASN HA H 4 4.576 4.576 4.753 -0.177 25793 3301 1 9 . 1 1 4 4 ASN C C 4 176.101 176.101 176.733 -0.632 25793 3302 1 9 . 1 1 4 4 ASN CA C 4 52.488 52.488 54.942 -2.454 25793 3303 1 9 . 1 1 4 4 ASN CB C 4 33.507 33.507 38.612 -5.105 25793 3304 1 9 . 1 1 4 4 ASN H H 4 8.865 8.865 8.828 0.037 25793 3305 1 9 . 1 1 5 5 THR N N 5 122.349 122.349 112.963 9.386 25793 3306 1 9 . 1 1 5 5 THR HA H 5 4.330 4.330 4.300 0.030 25793 3307 1 9 . 1 1 5 5 THR C C 5 174.576 174.576 175.560 -0.984 25793 3308 1 9 . 1 1 5 5 THR CA C 5 63.330 63.330 64.245 -0.914 25793 3309 1 9 . 1 1 5 5 THR CB C 5 66.155 66.155 68.766 -2.611 25793 3310 1 9 . 1 1 5 5 THR H H 5 8.200 8.200 7.997 0.203 25793 3311 1 9 . 1 1 6 6 VAL N N 6 124.255 124.255 119.021 5.234 25793 3312 1 9 . 1 1 6 6 VAL HA H 6 3.480 3.480 4.172 -0.692 25793 3313 1 9 . 1 1 6 6 VAL C C 6 174.988 174.988 177.443 -2.455 25793 3314 1 9 . 1 1 6 6 VAL CA C 6 64.919 64.919 64.393 0.526 25793 3315 1 9 . 1 1 6 6 VAL CB C 6 28.699 28.699 32.494 -3.795 25793 3316 1 9 . 1 1 6 6 VAL H H 6 7.590 7.590 7.302 0.288 25793 3317 1 9 . 1 1 7 7 SER N N 7 116.402 116.402 116.808 -0.406 25793 3318 1 9 . 1 1 7 7 SER HA H 7 4.459 4.459 4.245 0.214 25793 3319 1 9 . 1 1 7 7 SER C C 7 173.494 173.494 176.720 -3.226 25793 3320 1 9 . 1 1 7 7 SER CA C 7 59.174 59.174 61.822 -2.647 25793 3321 1 9 . 1 1 7 7 SER CB C 7 60.020 60.020 63.095 -3.075 25793 3322 1 9 . 1 1 7 7 SER H H 7 8.721 8.721 8.060 0.661 25793 3323 1 9 . 1 1 8 8 SER N N 8 116.463 116.463 116.325 0.138 25793 3324 1 9 . 1 1 8 8 SER HA H 8 3.745 3.745 4.366 -0.621 25793 3325 1 9 . 1 1 8 8 SER C C 8 171.540 171.540 175.938 -4.398 25793 3326 1 9 . 1 1 8 8 SER CA C 8 60.322 60.322 61.119 -0.797 25793 3327 1 9 . 1 1 8 8 SER CB C 8 60.785 60.785 63.232 -2.447 25793 3328 1 9 . 1 1 8 8 SER H H 8 8.213 8.213 7.882 0.331 25793 3329 1 9 . 1 1 9 9 PHE N N 9 121.530 121.530 123.402 -1.872 25793 3330 1 9 . 1 1 9 9 PHE HA H 9 4.405 4.405 4.513 -0.108 25793 3331 1 9 . 1 1 9 9 PHE C C 9 174.481 174.481 177.146 -2.665 25793 3332 1 9 . 1 1 9 9 PHE CA C 9 58.488 58.488 60.545 -2.057 25793 3333 1 9 . 1 1 9 9 PHE CB C 9 36.397 36.397 39.592 -3.195 25793 3334 1 9 . 1 1 9 9 PHE H H 9 7.387 7.387 7.375 0.012 25793 3335 1 9 . 1 1 10 10 GLN N N 10 119.460 119.460 119.136 0.324 25793 3336 1 9 . 1 1 10 10 GLN HA H 10 3.516 3.516 3.870 -0.354 25793 3337 1 9 . 1 1 10 10 GLN C C 10 176.083 176.083 178.457 -2.374 25793 3338 1 9 . 1 1 10 10 GLN CA C 10 56.595 56.595 59.173 -2.578 25793 3339 1 9 . 1 1 10 10 GLN CB C 10 23.672 23.672 28.813 -5.141 25793 3340 1 9 . 1 1 10 10 GLN H H 10 8.335 8.335 8.364 -0.029 25793 3341 1 9 . 1 1 11 11 VAL N N 11 119.513 119.513 119.581 -0.068 25793 3342 1 9 . 1 1 11 11 VAL HA H 11 3.300 3.300 3.808 -0.508 25793 3343 1 9 . 1 1 11 11 VAL C C 11 174.535 174.535 177.308 -2.773 25793 3344 1 9 . 1 1 11 11 VAL CA C 11 65.180 65.180 65.612 -0.432 25793 3345 1 9 . 1 1 11 11 VAL CB C 11 28.300 28.300 31.598 -3.298 25793 3346 1 9 . 1 1 11 11 VAL H H 11 8.127 8.127 7.949 0.178 25793 3347 1 9 . 1 1 12 12 ASP N N 12 120.959 120.959 121.047 -0.088 25793 3348 1 9 . 1 1 12 12 ASP HA H 12 4.414 4.414 4.491 -0.077 25793 3349 1 9 . 1 1 12 12 ASP C C 12 177.940 177.940 178.650 -0.710 25793 3350 1 9 . 1 1 12 12 ASP CA C 12 55.349 55.349 57.931 -2.582 25793 3351 1 9 . 1 1 12 12 ASP CB C 12 37.275 37.275 40.625 -3.350 25793 3352 1 9 . 1 1 12 12 ASP H H 12 8.116 8.116 7.698 0.418 25793 3353 1 9 . 1 1 13 13 CYS N N 13 119.479 119.479 118.368 1.111 25793 3354 1 9 . 1 1 13 13 CYS HA H 13 4.015 4.015 4.079 -0.064 25793 3355 1 9 . 1 1 13 13 CYS C C 13 175.349 175.349 176.441 -1.092 25793 3356 1 9 . 1 1 13 13 CYS CA C 13 62.384 62.384 63.823 -1.439 25793 3357 1 9 . 1 1 13 13 CYS CB C 13 23.610 23.610 27.448 -3.838 25793 3358 1 9 . 1 1 13 13 CYS H H 13 8.448 8.448 7.931 0.517 25793 3359 1 9 . 1 1 14 14 PHE N N 14 121.085 121.085 121.557 -0.472 25793 3360 1 9 . 1 1 14 14 PHE HA H 14 4.460 4.460 4.274 0.186 25793 3361 1 9 . 1 1 14 14 PHE C C 14 174.143 174.143 177.087 -2.944 25793 3362 1 9 . 1 1 14 14 PHE CA C 14 59.902 59.902 61.034 -1.132 25793 3363 1 9 . 1 1 14 14 PHE CB C 14 35.907 35.907 38.952 -3.045 25793 3364 1 9 . 1 1 14 14 PHE H H 14 8.244 8.244 7.556 0.688 25793 3365 1 9 . 1 1 15 15 LEU N N 15 118.069 118.069 119.516 -1.447 25793 3366 1 9 . 1 1 15 15 LEU HA H 15 3.735 3.735 3.726 0.009 25793 3367 1 9 . 1 1 15 15 LEU C C 15 176.261 176.261 178.728 -2.467 25793 3368 1 9 . 1 1 15 15 LEU CA C 15 55.494 55.494 58.969 -3.475 25793 3369 1 9 . 1 1 15 15 LEU CB C 15 36.676 36.676 41.744 -5.068 25793 3370 1 9 . 1 1 15 15 LEU H H 15 9.072 9.072 8.462 0.610 25793 3371 1 9 . 1 1 16 16 TRP N N 16 120.587 120.587 119.341 1.246 25793 3372 1 9 . 1 1 16 16 TRP HA H 16 3.660 3.660 4.285 -0.625 25793 3373 1 9 . 1 1 16 16 TRP C C 16 173.925 173.925 178.056 -4.131 25793 3374 1 9 . 1 1 16 16 TRP CA C 16 61.127 61.127 61.633 -0.506 25793 3375 1 9 . 1 1 16 16 TRP CB C 16 26.247 26.247 29.701 -3.454 25793 3376 1 9 . 1 1 16 16 TRP H H 16 8.142 8.142 8.385 -0.243 25793 3377 1 9 . 1 1 17 17 HIS N N 17 117.927 117.927 118.630 -0.703 25793 3378 1 9 . 1 1 17 17 HIS HA H 17 4.022 4.022 4.492 -0.470 25793 3379 1 9 . 1 1 17 17 HIS C C 17 173.650 173.650 177.027 -3.377 25793 3380 1 9 . 1 1 17 17 HIS CA C 17 57.350 57.350 59.647 -2.296 25793 3381 1 9 . 1 1 17 17 HIS CB C 17 25.231 25.231 29.956 -4.725 25793 3382 1 9 . 1 1 17 17 HIS H H 17 7.697 7.697 7.662 0.035 25793 3383 1 9 . 1 1 18 18 VAL N N 18 118.787 118.787 119.992 -1.205 25793 3384 1 9 . 1 1 18 18 VAL HA H 18 2.949 2.949 3.521 -0.572 25793 3385 1 9 . 1 1 18 18 VAL C C 18 174.321 174.321 177.640 -3.319 25793 3386 1 9 . 1 1 18 18 VAL CA C 18 64.400 64.400 66.076 -1.676 25793 3387 1 9 . 1 1 18 18 VAL CB C 18 28.400 28.400 31.278 -2.878 25793 3388 1 9 . 1 1 18 18 VAL H H 18 7.651 7.651 7.760 -0.109 25793 3389 1 9 . 1 1 19 19 ARG N N 19 118.108 118.108 118.772 -0.664 25793 3390 1 9 . 1 1 19 19 ARG HA H 19 3.661 3.661 4.058 -0.397 25793 3391 1 9 . 1 1 19 19 ARG C C 19 174.575 174.575 178.422 -3.847 25793 3392 1 9 . 1 1 19 19 ARG CA C 19 57.558 57.558 59.274 -1.716 25793 3393 1 9 . 1 1 19 19 ARG CB C 19 28.140 28.140 29.812 -1.672 25793 3394 1 9 . 1 1 19 19 ARG H H 19 7.602 7.602 7.593 0.009 25793 3395 1 9 . 1 1 20 20 LYS N N 20 121.889 121.889 119.213 2.676 25793 3396 1 9 . 1 1 20 20 LYS HA H 20 3.530 3.530 4.117 -0.587 25793 3397 1 9 . 1 1 20 20 LYS C C 20 174.970 174.970 178.686 -3.716 25793 3398 1 9 . 1 1 20 20 LYS CA C 20 55.292 55.292 57.991 -2.699 25793 3399 1 9 . 1 1 20 20 LYS CB C 20 28.420 28.420 32.416 -3.996 25793 3400 1 9 . 1 1 20 20 LYS H H 20 8.304 8.304 7.859 0.445 25793 3401 1 9 . 1 1 21 21 ARG N N 21 118.825 118.825 118.565 0.260 25793 3402 1 9 . 1 1 21 21 ARG HA H 21 3.915 3.915 4.141 -0.226 25793 3403 1 9 . 1 1 21 21 ARG C C 21 176.513 176.513 177.380 -0.867 25793 3404 1 9 . 1 1 21 21 ARG CA C 21 55.003 55.003 58.555 -3.552 25793 3405 1 9 . 1 1 21 21 ARG CB C 21 26.002 26.002 30.373 -4.371 25793 3406 1 9 . 1 1 21 21 ARG H H 21 7.772 7.772 7.569 0.203 25793 3407 1 9 . 1 1 22 22 PHE N N 22 120.501 120.501 119.291 1.210 25793 3408 1 9 . 1 1 22 22 PHE HA H 22 3.899 3.899 4.372 -0.473 25793 3409 1 9 . 1 1 22 22 PHE C C 22 173.880 173.880 175.989 -2.109 25793 3410 1 9 . 1 1 22 22 PHE CA C 22 58.542 58.542 59.904 -1.362 25793 3411 1 9 . 1 1 22 22 PHE CB C 22 35.961 35.961 39.587 -3.626 25793 3412 1 9 . 1 1 22 22 PHE H H 22 7.799 7.799 7.550 0.249 25793 3413 1 9 . 1 1 23 23 ALA N N 23 123.040 123.040 121.947 1.093 25793 3414 1 9 . 1 1 23 23 ALA HA H 23 3.720 3.720 4.015 -0.295 25793 3415 1 9 . 1 1 23 23 ALA C C 23 179.545 179.545 179.884 -0.339 25793 3416 1 9 . 1 1 23 23 ALA CA C 23 51.750 51.750 54.856 -3.106 25793 3417 1 9 . 1 1 23 23 ALA CB C 23 15.970 15.970 18.302 -2.332 25793 3418 1 9 . 1 1 23 23 ALA H H 23 8.627 8.627 8.050 0.577 25793 3419 1 9 . 1 1 24 24 ASP N N 24 121.514 121.514 117.591 3.923 25793 3420 1 9 . 1 1 24 24 ASP HA H 24 4.323 4.323 4.509 -0.186 25793 3421 1 9 . 1 1 24 24 ASP C C 24 175.020 175.020 177.217 -2.197 25793 3422 1 9 . 1 1 24 24 ASP CA C 24 53.645 53.645 56.333 -2.688 25793 3423 1 9 . 1 1 24 24 ASP CB C 24 37.158 37.158 40.777 -3.619 25793 3424 1 9 . 1 1 24 24 ASP H H 24 8.846 8.846 7.859 0.987 25793 3425 1 9 . 1 1 25 25 GLN N N 25 118.127 118.127 117.394 0.733 25793 3426 1 9 . 1 1 25 25 GLN HA H 25 4.159 4.159 4.326 -0.167 25793 3427 1 9 . 1 1 25 25 GLN C C 25 171.680 171.680 174.851 -3.171 25793 3428 1 9 . 1 1 25 25 GLN CA C 25 53.101 53.101 55.562 -2.461 25793 3429 1 9 . 1 1 25 25 GLN CB C 25 25.351 25.351 29.991 -4.640 25793 3430 1 9 . 1 1 25 25 GLN H H 25 7.192 7.192 7.399 -0.207 25793 3431 1 9 . 1 1 26 26 GLU N N 26 112.361 112.361 117.815 -5.454 25793 3432 1 9 . 1 1 26 26 GLU HA H 26 3.906 3.906 3.786 0.120 25793 3433 1 9 . 1 1 26 26 GLU C C 26 173.060 173.060 174.590 -1.530 25793 3434 1 9 . 1 1 26 26 GLU CA C 26 54.352 54.352 56.962 -2.610 25793 3435 1 9 . 1 1 26 26 GLU CB C 26 22.759 22.759 27.978 -5.219 25793 3436 1 9 . 1 1 26 26 GLU H H 26 7.975 7.975 7.721 0.254 25793 3437 1 9 . 1 1 27 27 LEU N N 27 115.873 115.873 121.857 -5.984 25793 3438 1 9 . 1 1 27 27 LEU HA H 27 4.043 4.043 4.190 -0.147 25793 3439 1 9 . 1 1 27 27 LEU C C 27 172.610 172.610 176.355 -3.745 25793 3440 1 9 . 1 1 27 27 LEU CA C 27 50.921 50.921 53.394 -2.473 25793 3441 1 9 . 1 1 27 27 LEU CB C 27 40.359 40.359 41.495 -1.136 25793 3442 1 9 . 1 1 27 27 LEU H H 27 5.781 5.781 7.343 -1.562 25793 3443 1 9 . 1 1 28 28 GLY N N 28 103.011 103.011 112.329 -9.318 25793 3444 1 9 . 1 1 28 28 GLY C C 28 172.297 172.297 173.320 -1.023 25793 3445 1 9 . 1 1 28 28 GLY CA C 28 41.348 41.348 44.139 -2.791 25793 3446 1 9 . 1 1 28 28 GLY H H 28 7.785 7.785 7.891 -0.106 25793 3447 1 9 . 1 1 29 29 ASP N N 29 122.671 122.671 120.344 2.327 25793 3448 1 9 . 1 1 29 29 ASP HA H 29 4.720 4.720 4.822 -0.102 25793 3449 1 9 . 1 1 29 29 ASP C C 29 172.137 172.137 177.555 -5.418 25793 3450 1 9 . 1 1 29 29 ASP CA C 29 48.748 48.748 53.342 -4.593 25793 3451 1 9 . 1 1 29 29 ASP CB C 29 38.519 38.519 42.196 -3.677 25793 3452 1 9 . 1 1 29 29 ASP H H 29 7.515 7.515 8.252 -0.737 25793 3453 1 9 . 1 1 30 30 ALA N N 30 119.757 119.757 122.725 -2.968 25793 3454 1 9 . 1 1 30 30 ALA HA H 30 4.240 4.240 4.259 -0.019 25793 3455 1 9 . 1 1 30 30 ALA CA C 30 54.400 54.400 55.402 -1.002 25793 3456 1 9 . 1 1 30 30 ALA CB C 30 12.540 12.540 17.432 -4.892 25793 3457 1 9 . 1 1 30 30 ALA H H 30 8.492 8.492 8.563 -0.071 25793 3458 1 9 . 1 1 31 31 PRO HA H 31 4.361 4.361 4.527 -0.166 25793 3459 1 9 . 1 1 31 31 PRO C C 31 175.699 175.699 178.012 -2.313 25793 3460 1 9 . 1 1 31 31 PRO CA C 31 63.220 63.220 64.590 -1.370 25793 3461 1 9 . 1 1 31 31 PRO CB C 31 28.336 28.336 31.405 -3.069 25793 3462 1 9 . 1 1 32 32 PHE N N 32 119.824 119.824 118.984 0.840 25793 3463 1 9 . 1 1 32 32 PHE HA H 32 3.885 3.885 4.255 -0.370 25793 3464 1 9 . 1 1 32 32 PHE C C 32 176.949 176.949 177.016 -0.067 25793 3465 1 9 . 1 1 32 32 PHE CA C 32 59.685 59.685 61.840 -2.155 25793 3466 1 9 . 1 1 32 32 PHE CB C 32 36.778 36.778 39.363 -2.585 25793 3467 1 9 . 1 1 32 32 PHE H H 32 7.949 7.949 7.614 0.335 25793 3468 1 9 . 1 1 33 33 LEU N N 33 121.755 121.755 119.098 2.657 25793 3469 1 9 . 1 1 33 33 LEU HA H 33 4.063 4.063 4.056 0.007 25793 3470 1 9 . 1 1 33 33 LEU C C 33 176.490 176.490 178.929 -2.439 25793 3471 1 9 . 1 1 33 33 LEU CA C 33 54.968 54.968 57.671 -2.703 25793 3472 1 9 . 1 1 33 33 LEU CB C 33 38.335 38.335 40.897 -2.562 25793 3473 1 9 . 1 1 33 33 LEU H H 33 8.386 8.386 7.728 0.658 25793 3474 1 9 . 1 1 34 34 ASP N N 34 121.771 121.771 119.850 1.921 25793 3475 1 9 . 1 1 34 34 ASP HA H 34 4.399 4.399 4.320 0.079 25793 3476 1 9 . 1 1 34 34 ASP C C 34 176.196 176.196 178.982 -2.786 25793 3477 1 9 . 1 1 34 34 ASP CA C 34 54.871 54.871 58.003 -3.132 25793 3478 1 9 . 1 1 34 34 ASP CB C 34 38.471 38.471 40.740 -2.269 25793 3479 1 9 . 1 1 34 34 ASP H H 34 8.252 8.252 7.544 0.708 25793 3480 1 9 . 1 1 35 35 ARG N N 35 119.119 119.119 119.393 -0.274 25793 3481 1 9 . 1 1 35 35 ARG HA H 35 3.818 3.818 3.999 -0.181 25793 3482 1 9 . 1 1 35 35 ARG C C 35 175.752 175.752 178.900 -3.148 25793 3483 1 9 . 1 1 35 35 ARG CA C 35 57.302 57.302 59.167 -1.865 25793 3484 1 9 . 1 1 35 35 ARG CB C 35 27.486 27.486 30.248 -2.762 25793 3485 1 9 . 1 1 35 35 ARG H H 35 8.197 8.197 7.598 0.599 25793 3486 1 9 . 1 1 36 36 LEU N N 36 120.940 120.940 119.743 1.197 25793 3487 1 9 . 1 1 36 36 LEU HA H 36 3.872 3.872 4.037 -0.165 25793 3488 1 9 . 1 1 36 36 LEU C C 36 177.676 177.676 179.304 -1.628 25793 3489 1 9 . 1 1 36 36 LEU CA C 36 55.818 55.818 57.949 -2.131 25793 3490 1 9 . 1 1 36 36 LEU CB C 36 40.156 40.156 41.680 -1.524 25793 3491 1 9 . 1 1 36 36 LEU H H 36 7.735 7.735 8.143 -0.408 25793 3492 1 9 . 1 1 37 37 ARG N N 37 120.596 120.596 117.921 2.675 25793 3493 1 9 . 1 1 37 37 ARG HA H 37 4.241 4.241 4.064 0.177 25793 3494 1 9 . 1 1 37 37 ARG C C 37 174.571 174.571 178.985 -4.414 25793 3495 1 9 . 1 1 37 37 ARG CA C 37 56.891 56.891 59.777 -2.886 25793 3496 1 9 . 1 1 37 37 ARG CB C 37 27.936 27.936 29.982 -2.046 25793 3497 1 9 . 1 1 37 37 ARG H H 37 8.006 8.006 7.679 0.327 25793 3498 1 9 . 1 1 38 38 ARG N N 38 121.436 121.436 118.478 2.958 25793 3499 1 9 . 1 1 38 38 ARG HA H 38 3.987 3.987 4.079 -0.092 25793 3500 1 9 . 1 1 38 38 ARG C C 38 177.290 177.290 178.153 -0.863 25793 3501 1 9 . 1 1 38 38 ARG CA C 38 57.131 57.131 59.156 -2.025 25793 3502 1 9 . 1 1 38 38 ARG CB C 38 27.450 27.450 30.063 -2.613 25793 3503 1 9 . 1 1 38 38 ARG H H 38 8.307 8.307 7.631 0.676 25793 3504 1 9 . 1 1 39 39 ASP N N 39 120.034 120.034 117.861 2.173 25793 3505 1 9 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.714 -0.185 25793 3506 1 9 . 1 1 39 39 ASP C C 39 174.864 174.864 177.774 -2.910 25793 3507 1 9 . 1 1 39 39 ASP CA C 39 53.700 53.700 56.600 -2.900 25793 3508 1 9 . 1 1 39 39 ASP CB C 39 37.158 37.158 41.867 -4.710 25793 3509 1 9 . 1 1 39 39 ASP H H 39 8.737 8.737 7.694 1.043 25793 3510 1 9 . 1 1 40 40 GLN N N 40 121.853 121.853 120.840 1.013 25793 3511 1 9 . 1 1 40 40 GLN HA H 40 2.999 2.999 3.436 -0.437 25793 3512 1 9 . 1 1 40 40 GLN C C 40 175.010 175.010 177.776 -2.766 25793 3513 1 9 . 1 1 40 40 GLN CA C 40 56.747 56.747 59.111 -2.364 25793 3514 1 9 . 1 1 40 40 GLN CB C 40 25.196 25.196 28.558 -3.362 25793 3515 1 9 . 1 1 40 40 GLN H H 40 7.954 7.954 8.069 -0.115 25793 3516 1 9 . 1 1 41 41 LYS N N 41 117.346 117.346 118.856 -1.510 25793 3517 1 9 . 1 1 41 41 LYS HA H 41 3.914 3.914 4.032 -0.118 25793 3518 1 9 . 1 1 41 41 LYS C C 41 177.117 177.117 179.322 -2.205 25793 3519 1 9 . 1 1 41 41 LYS CA C 41 56.689 56.689 59.266 -2.577 25793 3520 1 9 . 1 1 41 41 LYS CB C 41 29.446 29.446 31.995 -2.549 25793 3521 1 9 . 1 1 41 41 LYS H H 41 7.014 7.014 7.511 -0.497 25793 3522 1 9 . 1 1 42 42 SER N N 42 115.844 115.844 116.246 -0.402 25793 3523 1 9 . 1 1 42 42 SER HA H 42 4.262 4.262 4.306 -0.044 25793 3524 1 9 . 1 1 42 42 SER C C 42 175.262 175.262 176.334 -1.072 25793 3525 1 9 . 1 1 42 42 SER CA C 42 58.256 58.256 60.953 -2.696 25793 3526 1 9 . 1 1 42 42 SER CB C 42 59.683 59.683 62.812 -3.129 25793 3527 1 9 . 1 1 42 42 SER H H 42 7.875 7.875 7.623 0.252 25793 3528 1 9 . 1 1 43 43 LEU N N 43 123.254 123.254 122.276 0.978 25793 3529 1 9 . 1 1 43 43 LEU HA H 43 4.082 4.082 4.149 -0.067 25793 3530 1 9 . 1 1 43 43 LEU C C 43 176.505 176.505 179.193 -2.688 25793 3531 1 9 . 1 1 43 43 LEU CA C 43 55.621 55.621 57.508 -1.887 25793 3532 1 9 . 1 1 43 43 LEU CB C 43 38.460 38.460 41.241 -2.781 25793 3533 1 9 . 1 1 43 43 LEU H H 43 8.736 8.736 8.343 0.393 25793 3534 1 9 . 1 1 44 44 ARG N N 44 118.877 118.877 117.971 0.906 25793 3535 1 9 . 1 1 44 44 ARG HA H 44 4.011 4.011 4.031 -0.020 25793 3536 1 9 . 1 1 44 44 ARG C C 44 177.379 177.379 179.089 -1.710 25793 3537 1 9 . 1 1 44 44 ARG CA C 44 56.911 56.911 59.562 -2.651 25793 3538 1 9 . 1 1 44 44 ARG CB C 44 26.602 26.602 30.095 -3.493 25793 3539 1 9 . 1 1 44 44 ARG H H 44 7.686 7.686 7.930 -0.244 25793 3540 1 9 . 1 1 45 45 GLY N N 45 107.372 107.372 106.175 1.197 25793 3541 1 9 . 1 1 45 45 GLY C C 45 173.935 173.935 175.809 -1.874 25793 3542 1 9 . 1 1 45 45 GLY CA C 45 44.395 44.395 46.405 -2.010 25793 3543 1 9 . 1 1 45 45 GLY H H 45 7.762 7.762 8.009 -0.247 25793 3544 1 9 . 1 1 46 46 ARG N N 46 123.780 123.780 121.885 1.895 25793 3545 1 9 . 1 1 46 46 ARG HA H 46 3.902 3.902 4.241 -0.339 25793 3546 1 9 . 1 1 46 46 ARG C C 46 175.910 175.910 178.402 -2.492 25793 3547 1 9 . 1 1 46 46 ARG CA C 46 56.375 56.375 58.315 -1.940 25793 3548 1 9 . 1 1 46 46 ARG CB C 46 28.851 28.851 30.199 -1.348 25793 3549 1 9 . 1 1 46 46 ARG H H 46 8.381 8.381 7.596 0.785 25793 3550 1 9 . 1 1 47 47 GLY N N 47 107.330 107.330 107.196 0.134 25793 3551 1 9 . 1 1 47 47 GLY C C 47 173.406 173.406 176.082 -2.676 25793 3552 1 9 . 1 1 47 47 GLY CA C 47 45.429 45.429 46.810 -1.381 25793 3553 1 9 . 1 1 47 47 GLY H H 47 8.782 8.782 7.789 0.993 25793 3554 1 9 . 1 1 48 48 SER N N 48 116.214 116.214 117.266 -1.052 25793 3555 1 9 . 1 1 48 48 SER HA H 48 4.200 4.200 4.185 0.015 25793 3556 1 9 . 1 1 48 48 SER C C 48 174.824 174.824 177.133 -2.309 25793 3557 1 9 . 1 1 48 48 SER CA C 48 58.531 58.531 61.578 -3.047 25793 3558 1 9 . 1 1 48 48 SER CB C 48 59.837 59.837 62.635 -2.798 25793 3559 1 9 . 1 1 48 48 SER H H 48 7.737 7.737 7.657 0.080 25793 3560 1 9 . 1 1 49 49 THR N N 49 118.158 118.158 118.130 0.028 25793 3561 1 9 . 1 1 49 49 THR HA H 49 3.885 3.885 3.974 -0.089 25793 3562 1 9 . 1 1 49 49 THR C C 49 173.322 173.322 176.229 -2.907 25793 3563 1 9 . 1 1 49 49 THR CA C 49 63.385 63.385 64.873 -1.488 25793 3564 1 9 . 1 1 49 49 THR CB C 49 65.997 65.997 68.534 -2.537 25793 3565 1 9 . 1 1 49 49 THR H H 49 7.784 7.784 7.450 0.334 25793 3566 1 9 . 1 1 50 50 LEU N N 50 118.727 118.727 120.526 -1.799 25793 3567 1 9 . 1 1 50 50 LEU HA H 50 4.050 4.050 4.307 -0.257 25793 3568 1 9 . 1 1 50 50 LEU C C 50 174.153 174.153 177.414 -3.261 25793 3569 1 9 . 1 1 50 50 LEU CA C 50 52.580 52.580 54.963 -2.383 25793 3570 1 9 . 1 1 50 50 LEU CB C 50 39.994 39.994 42.440 -2.446 25793 3571 1 9 . 1 1 50 50 LEU H H 50 7.734 7.734 7.634 0.100 25793 3572 1 9 . 1 1 51 51 GLY N N 51 108.894 108.894 107.649 1.245 25793 3573 1 9 . 1 1 51 51 GLY C C 51 171.597 171.597 174.102 -2.505 25793 3574 1 9 . 1 1 51 51 GLY CA C 51 43.400 43.400 45.412 -2.012 25793 3575 1 9 . 1 1 51 51 GLY H H 51 7.698 7.698 7.713 -0.015 25793 3576 1 9 . 1 1 52 52 LEU N N 52 119.252 119.252 120.164 -0.912 25793 3577 1 9 . 1 1 52 52 LEU HA H 52 4.638 4.638 4.576 0.062 25793 3578 1 9 . 1 1 52 52 LEU C C 52 172.244 172.244 176.401 -4.157 25793 3579 1 9 . 1 1 52 52 LEU CA C 52 50.261 50.261 54.178 -3.917 25793 3580 1 9 . 1 1 52 52 LEU CB C 52 42.411 42.411 44.566 -2.155 25793 3581 1 9 . 1 1 52 52 LEU H H 52 7.661 7.661 7.676 -0.015 25793 3582 1 9 . 1 1 53 53 ASP N N 53 121.433 121.433 124.546 -3.113 25793 3583 1 9 . 1 1 53 53 ASP HA H 53 4.658 4.658 4.678 -0.020 25793 3584 1 9 . 1 1 53 53 ASP C C 53 174.204 174.204 177.286 -3.082 25793 3585 1 9 . 1 1 53 53 ASP CA C 53 50.435 50.435 55.122 -4.687 25793 3586 1 9 . 1 1 53 53 ASP CB C 53 40.206 40.206 41.938 -1.732 25793 3587 1 9 . 1 1 53 53 ASP H H 53 8.127 8.127 8.561 -0.434 25793 3588 1 9 . 1 1 54 54 ILE N N 54 125.804 125.804 127.445 -1.641 25793 3589 1 9 . 1 1 54 54 ILE HA H 54 3.797 3.797 3.709 0.088 25793 3590 1 9 . 1 1 54 54 ILE C C 54 176.613 176.613 177.152 -0.539 25793 3591 1 9 . 1 1 54 54 ILE CA C 54 62.133 62.133 64.475 -2.342 25793 3592 1 9 . 1 1 54 54 ILE CB C 54 35.036 35.036 38.596 -3.559 25793 3593 1 9 . 1 1 54 54 ILE H H 54 8.788 8.788 8.806 -0.018 25793 3594 1 9 . 1 1 55 55 GLU N N 55 125.797 125.797 119.107 6.690 25793 3595 1 9 . 1 1 55 55 GLU HA H 55 4.009 4.009 3.962 0.047 25793 3596 1 9 . 1 1 55 55 GLU C C 55 176.730 176.730 179.056 -2.326 25793 3597 1 9 . 1 1 55 55 GLU CA C 55 57.998 57.998 59.950 -1.952 25793 3598 1 9 . 1 1 55 55 GLU CB C 55 25.895 25.895 28.940 -3.045 25793 3599 1 9 . 1 1 55 55 GLU H H 55 8.945 8.945 8.685 0.260 25793 3600 1 9 . 1 1 56 56 THR N N 56 117.286 117.286 114.809 2.477 25793 3601 1 9 . 1 1 56 56 THR HA H 56 3.817 3.817 4.075 -0.258 25793 3602 1 9 . 1 1 56 56 THR C C 56 174.617 174.617 175.611 -0.994 25793 3603 1 9 . 1 1 56 56 THR CA C 56 63.766 63.766 65.896 -2.130 25793 3604 1 9 . 1 1 56 56 THR CB C 56 65.452 65.452 68.501 -3.049 25793 3605 1 9 . 1 1 56 56 THR H H 56 8.240 8.240 8.136 0.104 25793 3606 1 9 . 1 1 57 57 ALA N N 57 125.072 125.072 123.216 1.856 25793 3607 1 9 . 1 1 57 57 ALA HA H 57 4.230 4.230 4.248 -0.018 25793 3608 1 9 . 1 1 57 57 ALA C C 57 176.346 176.346 179.263 -2.917 25793 3609 1 9 . 1 1 57 57 ALA CA C 57 52.650 52.650 55.161 -2.511 25793 3610 1 9 . 1 1 57 57 ALA CB C 57 17.400 17.400 18.269 -0.869 25793 3611 1 9 . 1 1 57 57 ALA H H 57 8.121 8.121 8.278 -0.157 25793 3612 1 9 . 1 1 58 58 THR N N 58 115.752 115.752 110.578 5.174 25793 3613 1 9 . 1 1 58 58 THR HA H 58 3.632 3.632 4.115 -0.483 25793 3614 1 9 . 1 1 58 58 THR C C 58 172.862 172.862 176.166 -3.304 25793 3615 1 9 . 1 1 58 58 THR CA C 58 65.100 65.100 65.615 -0.515 25793 3616 1 9 . 1 1 58 58 THR CB C 58 66.100 66.100 68.665 -2.566 25793 3617 1 9 . 1 1 58 58 THR H H 58 8.381 8.381 8.514 -0.133 25793 3618 1 9 . 1 1 59 59 ARG N N 59 120.537 120.537 120.994 -0.457 25793 3619 1 9 . 1 1 59 59 ARG HA H 59 3.911 3.911 4.270 -0.359 25793 3620 1 9 . 1 1 59 59 ARG C C 59 176.099 176.099 178.010 -1.911 25793 3621 1 9 . 1 1 59 59 ARG CA C 59 56.616 56.616 58.749 -2.133 25793 3622 1 9 . 1 1 59 59 ARG CB C 59 27.022 27.022 30.421 -3.399 25793 3623 1 9 . 1 1 59 59 ARG H H 59 7.245 7.245 7.311 -0.066 25793 3624 1 9 . 1 1 60 60 ALA N N 60 121.996 121.996 122.212 -0.216 25793 3625 1 9 . 1 1 60 60 ALA HA H 60 4.120 4.120 4.048 0.072 25793 3626 1 9 . 1 1 60 60 ALA C C 60 178.745 178.745 179.171 -0.426 25793 3627 1 9 . 1 1 60 60 ALA CA C 60 52.000 52.000 54.786 -2.786 25793 3628 1 9 . 1 1 60 60 ALA CB C 60 15.824 15.824 18.478 -2.654 25793 3629 1 9 . 1 1 60 60 ALA H H 60 7.489 7.489 8.224 -0.735 25793 3630 1 9 . 1 1 61 61 GLY N N 61 108.024 108.024 104.817 3.207 25793 3631 1 9 . 1 1 61 61 GLY C C 61 171.515 171.515 175.111 -3.596 25793 3632 1 9 . 1 1 61 61 GLY CA C 61 43.797 43.797 45.992 -2.195 25793 3633 1 9 . 1 1 61 61 GLY H H 61 8.721 8.721 8.246 0.475 25793 3634 1 9 . 1 1 62 62 LYS N N 62 123.393 123.393 121.223 2.170 25793 3635 1 9 . 1 1 62 62 LYS HA H 62 1.780 1.780 2.586 -0.806 25793 3636 1 9 . 1 1 62 62 LYS C C 62 174.612 174.612 178.222 -3.610 25793 3637 1 9 . 1 1 62 62 LYS CA C 62 56.683 56.683 58.991 -2.308 25793 3638 1 9 . 1 1 62 62 LYS CB C 62 29.920 29.920 32.068 -2.148 25793 3639 1 9 . 1 1 62 62 LYS H H 62 7.683 7.683 7.426 0.257 25793 3640 1 9 . 1 1 63 63 GLN N N 63 114.582 114.582 116.435 -1.853 25793 3641 1 9 . 1 1 63 63 GLN HA H 63 3.920 3.920 4.007 -0.087 25793 3642 1 9 . 1 1 63 63 GLN C C 63 176.294 176.294 178.621 -2.327 25793 3643 1 9 . 1 1 63 63 GLN CA C 63 55.604 55.604 58.481 -2.877 25793 3644 1 9 . 1 1 63 63 GLN CB C 63 25.557 25.557 28.816 -3.259 25793 3645 1 9 . 1 1 63 63 GLN H H 63 6.637 6.637 7.424 -0.787 25793 3646 1 9 . 1 1 64 64 ILE N N 64 119.051 119.051 117.373 1.678 25793 3647 1 9 . 1 1 64 64 ILE HA H 64 3.571 3.571 3.804 -0.233 25793 3648 1 9 . 1 1 64 64 ILE C C 64 175.402 175.402 177.299 -1.897 25793 3649 1 9 . 1 1 64 64 ILE CA C 64 62.529 62.529 63.794 -1.264 25793 3650 1 9 . 1 1 64 64 ILE CB C 64 36.198 36.198 37.645 -1.447 25793 3651 1 9 . 1 1 64 64 ILE H H 64 7.092 7.092 7.286 -0.194 25793 3652 1 9 . 1 1 65 65 VAL N N 65 118.800 118.800 119.710 -0.910 25793 3653 1 9 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.756 -0.370 25793 3654 1 9 . 1 1 65 65 VAL C C 65 174.546 174.546 177.384 -2.838 25793 3655 1 9 . 1 1 65 65 VAL CA C 65 64.500 64.500 65.369 -0.869 25793 3656 1 9 . 1 1 65 65 VAL CB C 65 28.300 28.300 32.067 -3.767 25793 3657 1 9 . 1 1 65 65 VAL H H 65 8.103 8.103 7.080 1.023 25793 3658 1 9 . 1 1 66 66 GLU N N 66 118.966 118.966 119.822 -0.856 25793 3659 1 9 . 1 1 66 66 GLU HA H 66 3.810 3.810 3.912 -0.102 25793 3660 1 9 . 1 1 66 66 GLU C C 66 176.292 176.292 179.258 -2.966 25793 3661 1 9 . 1 1 66 66 GLU CA C 66 57.618 57.618 59.887 -2.269 25793 3662 1 9 . 1 1 66 66 GLU CB C 66 26.391 26.391 29.384 -2.993 25793 3663 1 9 . 1 1 66 66 GLU H H 66 8.654 8.654 7.603 1.051 25793 3664 1 9 . 1 1 67 67 ARG N N 67 118.499 118.499 117.578 0.921 25793 3665 1 9 . 1 1 67 67 ARG HA H 67 3.990 3.990 4.093 -0.103 25793 3666 1 9 . 1 1 67 67 ARG C C 67 176.039 176.039 178.541 -2.502 25793 3667 1 9 . 1 1 67 67 ARG CA C 67 56.996 56.996 58.727 -1.731 25793 3668 1 9 . 1 1 67 67 ARG CB C 67 26.783 26.783 30.257 -3.474 25793 3669 1 9 . 1 1 67 67 ARG H H 67 7.270 7.270 7.706 -0.436 25793 3670 1 9 . 1 1 68 68 ILE N N 68 120.031 120.031 117.631 2.400 25793 3671 1 9 . 1 1 68 68 ILE HA H 68 3.721 3.721 4.088 -0.367 25793 3672 1 9 . 1 1 68 68 ILE C C 68 176.061 176.061 176.656 -0.595 25793 3673 1 9 . 1 1 68 68 ILE CA C 68 61.970 61.970 63.056 -1.086 25793 3674 1 9 . 1 1 68 68 ILE CB C 68 35.254 35.254 38.384 -3.130 25793 3675 1 9 . 1 1 68 68 ILE H H 68 7.569 7.569 7.609 -0.040 25793 3676 1 9 . 1 1 69 69 LEU N N 69 118.859 118.859 118.224 0.635 25793 3677 1 9 . 1 1 69 69 LEU HA H 69 4.127 4.127 4.145 -0.018 25793 3678 1 9 . 1 1 69 69 LEU C C 69 176.859 176.859 177.686 -0.827 25793 3679 1 9 . 1 1 69 69 LEU CA C 69 54.525 54.525 56.431 -1.907 25793 3680 1 9 . 1 1 69 69 LEU CB C 69 38.150 38.150 42.098 -3.948 25793 3681 1 9 . 1 1 69 69 LEU H H 69 8.305 8.305 7.320 0.985 25793 3682 1 9 . 1 1 70 70 LYS N N 70 119.685 119.685 117.594 2.091 25793 3683 1 9 . 1 1 70 70 LYS HA H 70 4.098 4.098 4.157 -0.059 25793 3684 1 9 . 1 1 70 70 LYS C C 70 175.484 175.484 178.030 -2.546 25793 3685 1 9 . 1 1 70 70 LYS CA C 70 55.580 55.580 57.970 -2.390 25793 3686 1 9 . 1 1 70 70 LYS CB C 70 29.700 29.700 32.164 -2.464 25793 3687 1 9 . 1 1 70 70 LYS H H 70 7.748 7.748 7.450 0.298 25793 3688 1 9 . 1 1 71 71 GLU N N 71 118.055 118.055 119.723 -1.668 25793 3689 1 9 . 1 1 71 71 GLU HA H 71 4.175 4.175 4.233 -0.058 25793 3690 1 9 . 1 1 71 71 GLU C C 71 174.094 174.094 175.850 -1.756 25793 3691 1 9 . 1 1 71 71 GLU CA C 71 54.411 54.411 56.934 -2.523 25793 3692 1 9 . 1 1 71 71 GLU CB C 71 27.038 27.038 30.062 -3.024 25793 3693 1 9 . 1 1 71 71 GLU H H 71 7.644 7.644 7.910 -0.266 25793 3694 1 9 . 1 1 72 72 GLU N N 72 118.922 118.922 118.006 0.916 25793 3695 1 9 . 1 1 72 72 GLU HA H 72 4.164 4.164 4.138 0.026 25793 3696 1 9 . 1 1 72 72 GLU C C 72 172.677 172.677 175.051 -2.374 25793 3697 1 9 . 1 1 72 72 GLU CA C 72 53.047 53.047 57.038 -3.991 25793 3698 1 9 . 1 1 72 72 GLU CB C 72 25.297 25.297 28.935 -3.638 25793 3699 1 9 . 1 1 72 72 GLU H H 72 7.603 7.603 8.001 -0.398 25793 3700 1 10 . 1 1 2 2 ASP HA H 2 4.703 4.703 4.993 -0.290 25793 3701 1 10 . 1 1 2 2 ASP C C 2 173.678 173.678 174.907 -1.229 25793 3702 1 10 . 1 1 2 2 ASP CA C 2 51.357 51.357 54.191 -2.834 25793 3703 1 10 . 1 1 2 2 ASP CB C 2 39.114 39.114 42.146 -3.032 25793 3704 1 10 . 1 1 3 3 SER N N 3 118.993 118.993 118.384 0.609 25793 3705 1 10 . 1 1 3 3 SER HA H 3 4.237 4.237 4.442 -0.205 25793 3706 1 10 . 1 1 3 3 SER C C 3 173.240 173.240 175.250 -2.010 25793 3707 1 10 . 1 1 3 3 SER CA C 3 57.300 57.300 59.527 -2.227 25793 3708 1 10 . 1 1 3 3 SER CB C 3 60.653 60.653 64.644 -3.991 25793 3709 1 10 . 1 1 3 3 SER H H 3 8.745 8.745 8.825 -0.080 25793 3710 1 10 . 1 1 4 4 ASN N N 4 122.369 122.369 119.802 2.567 25793 3711 1 10 . 1 1 4 4 ASN HA H 4 4.576 4.576 4.728 -0.152 25793 3712 1 10 . 1 1 4 4 ASN C C 4 176.101 176.101 176.685 -0.584 25793 3713 1 10 . 1 1 4 4 ASN CA C 4 52.488 52.488 55.100 -2.612 25793 3714 1 10 . 1 1 4 4 ASN CB C 4 33.507 33.507 39.266 -5.759 25793 3715 1 10 . 1 1 4 4 ASN H H 4 8.865 8.865 8.750 0.115 25793 3716 1 10 . 1 1 5 5 THR N N 5 122.349 122.349 115.183 7.166 25793 3717 1 10 . 1 1 5 5 THR HA H 5 4.330 4.330 4.342 -0.012 25793 3718 1 10 . 1 1 5 5 THR C C 5 174.576 174.576 175.318 -0.742 25793 3719 1 10 . 1 1 5 5 THR CA C 5 63.330 63.330 64.464 -1.134 25793 3720 1 10 . 1 1 5 5 THR CB C 5 66.155 66.155 69.108 -2.953 25793 3721 1 10 . 1 1 5 5 THR H H 5 8.200 8.200 7.995 0.205 25793 3722 1 10 . 1 1 6 6 VAL N N 6 124.255 124.255 120.142 4.113 25793 3723 1 10 . 1 1 6 6 VAL HA H 6 3.480 3.480 4.100 -0.620 25793 3724 1 10 . 1 1 6 6 VAL C C 6 174.988 174.988 176.884 -1.896 25793 3725 1 10 . 1 1 6 6 VAL CA C 6 64.919 64.919 63.792 1.127 25793 3726 1 10 . 1 1 6 6 VAL CB C 6 28.699 28.699 32.465 -3.766 25793 3727 1 10 . 1 1 6 6 VAL H H 6 7.590 7.590 7.655 -0.065 25793 3728 1 10 . 1 1 7 7 SER N N 7 116.402 116.402 116.410 -0.008 25793 3729 1 10 . 1 1 7 7 SER HA H 7 4.459 4.459 4.239 0.220 25793 3730 1 10 . 1 1 7 7 SER C C 7 173.494 173.494 176.768 -3.274 25793 3731 1 10 . 1 1 7 7 SER CA C 7 59.174 59.174 62.403 -3.229 25793 3732 1 10 . 1 1 7 7 SER CB C 7 60.020 60.020 62.953 -2.933 25793 3733 1 10 . 1 1 7 7 SER H H 7 8.721 8.721 7.943 0.778 25793 3734 1 10 . 1 1 8 8 SER N N 8 116.463 116.463 116.169 0.294 25793 3735 1 10 . 1 1 8 8 SER HA H 8 3.745 3.745 4.385 -0.640 25793 3736 1 10 . 1 1 8 8 SER C C 8 171.540 171.540 175.850 -4.310 25793 3737 1 10 . 1 1 8 8 SER CA C 8 60.322 60.322 61.060 -0.738 25793 3738 1 10 . 1 1 8 8 SER CB C 8 60.785 60.785 63.126 -2.341 25793 3739 1 10 . 1 1 8 8 SER H H 8 8.213 8.213 7.752 0.461 25793 3740 1 10 . 1 1 9 9 PHE N N 9 121.530 121.530 123.478 -1.948 25793 3741 1 10 . 1 1 9 9 PHE HA H 9 4.405 4.405 4.497 -0.092 25793 3742 1 10 . 1 1 9 9 PHE C C 9 174.481 174.481 176.905 -2.424 25793 3743 1 10 . 1 1 9 9 PHE CA C 9 58.488 58.488 60.526 -2.038 25793 3744 1 10 . 1 1 9 9 PHE CB C 9 36.397 36.397 39.644 -3.247 25793 3745 1 10 . 1 1 9 9 PHE H H 9 7.387 7.387 7.492 -0.105 25793 3746 1 10 . 1 1 10 10 GLN N N 10 119.460 119.460 119.062 0.398 25793 3747 1 10 . 1 1 10 10 GLN HA H 10 3.516 3.516 3.816 -0.300 25793 3748 1 10 . 1 1 10 10 GLN C C 10 176.083 176.083 178.618 -2.535 25793 3749 1 10 . 1 1 10 10 GLN CA C 10 56.595 56.595 59.175 -2.580 25793 3750 1 10 . 1 1 10 10 GLN CB C 10 23.672 23.672 28.844 -5.172 25793 3751 1 10 . 1 1 10 10 GLN H H 10 8.335 8.335 8.199 0.136 25793 3752 1 10 . 1 1 11 11 VAL N N 11 119.513 119.513 119.698 -0.185 25793 3753 1 10 . 1 1 11 11 VAL HA H 11 3.300 3.300 3.807 -0.507 25793 3754 1 10 . 1 1 11 11 VAL C C 11 174.535 174.535 177.435 -2.900 25793 3755 1 10 . 1 1 11 11 VAL CA C 11 65.180 65.180 65.524 -0.344 25793 3756 1 10 . 1 1 11 11 VAL CB C 11 28.300 28.300 31.360 -3.060 25793 3757 1 10 . 1 1 11 11 VAL H H 11 8.127 8.127 7.899 0.228 25793 3758 1 10 . 1 1 12 12 ASP N N 12 120.959 120.959 121.135 -0.176 25793 3759 1 10 . 1 1 12 12 ASP HA H 12 4.414 4.414 4.470 -0.056 25793 3760 1 10 . 1 1 12 12 ASP C C 12 177.940 177.940 178.626 -0.686 25793 3761 1 10 . 1 1 12 12 ASP CA C 12 55.349 55.349 57.981 -2.632 25793 3762 1 10 . 1 1 12 12 ASP CB C 12 37.275 37.275 40.624 -3.349 25793 3763 1 10 . 1 1 12 12 ASP H H 12 8.116 8.116 7.698 0.418 25793 3764 1 10 . 1 1 13 13 CYS N N 13 119.479 119.479 118.396 1.083 25793 3765 1 10 . 1 1 13 13 CYS HA H 13 4.015 4.015 4.124 -0.109 25793 3766 1 10 . 1 1 13 13 CYS C C 13 175.349 175.349 176.538 -1.189 25793 3767 1 10 . 1 1 13 13 CYS CA C 13 62.384 62.384 63.852 -1.468 25793 3768 1 10 . 1 1 13 13 CYS CB C 13 23.610 23.610 27.318 -3.708 25793 3769 1 10 . 1 1 13 13 CYS H H 13 8.448 8.448 8.067 0.381 25793 3770 1 10 . 1 1 14 14 PHE N N 14 121.085 121.085 121.607 -0.522 25793 3771 1 10 . 1 1 14 14 PHE HA H 14 4.460 4.460 4.311 0.149 25793 3772 1 10 . 1 1 14 14 PHE C C 14 174.143 174.143 177.055 -2.912 25793 3773 1 10 . 1 1 14 14 PHE CA C 14 59.902 59.902 60.852 -0.950 25793 3774 1 10 . 1 1 14 14 PHE CB C 14 35.907 35.907 38.920 -3.014 25793 3775 1 10 . 1 1 14 14 PHE H H 14 8.244 8.244 7.589 0.655 25793 3776 1 10 . 1 1 15 15 LEU N N 15 118.069 118.069 119.360 -1.291 25793 3777 1 10 . 1 1 15 15 LEU HA H 15 3.735 3.735 3.733 0.002 25793 3778 1 10 . 1 1 15 15 LEU C C 15 176.261 176.261 178.740 -2.479 25793 3779 1 10 . 1 1 15 15 LEU CA C 15 55.494 55.494 58.667 -3.173 25793 3780 1 10 . 1 1 15 15 LEU CB C 15 36.676 36.676 41.587 -4.911 25793 3781 1 10 . 1 1 15 15 LEU H H 15 9.072 9.072 8.342 0.730 25793 3782 1 10 . 1 1 16 16 TRP N N 16 120.587 120.587 120.542 0.045 25793 3783 1 10 . 1 1 16 16 TRP HA H 16 3.660 3.660 4.214 -0.554 25793 3784 1 10 . 1 1 16 16 TRP C C 16 173.925 173.925 177.753 -3.828 25793 3785 1 10 . 1 1 16 16 TRP CA C 16 61.127 61.127 61.899 -0.772 25793 3786 1 10 . 1 1 16 16 TRP CB C 16 26.247 26.247 29.406 -3.159 25793 3787 1 10 . 1 1 16 16 TRP H H 16 8.142 8.142 8.523 -0.381 25793 3788 1 10 . 1 1 17 17 HIS N N 17 117.927 117.927 117.712 0.215 25793 3789 1 10 . 1 1 17 17 HIS HA H 17 4.022 4.022 3.984 0.038 25793 3790 1 10 . 1 1 17 17 HIS C C 17 173.650 173.650 176.509 -2.859 25793 3791 1 10 . 1 1 17 17 HIS CA C 17 57.350 57.350 59.197 -1.847 25793 3792 1 10 . 1 1 17 17 HIS CB C 17 25.231 25.231 29.859 -4.628 25793 3793 1 10 . 1 1 17 17 HIS H H 17 7.697 7.697 7.586 0.111 25793 3794 1 10 . 1 1 18 18 VAL N N 18 118.787 118.787 118.091 0.696 25793 3795 1 10 . 1 1 18 18 VAL HA H 18 2.949 2.949 3.579 -0.630 25793 3796 1 10 . 1 1 18 18 VAL C C 18 174.321 174.321 177.513 -3.192 25793 3797 1 10 . 1 1 18 18 VAL CA C 18 64.400 64.400 65.391 -0.991 25793 3798 1 10 . 1 1 18 18 VAL CB C 18 28.400 28.400 31.653 -3.253 25793 3799 1 10 . 1 1 18 18 VAL H H 18 7.651 7.651 7.471 0.180 25793 3800 1 10 . 1 1 19 19 ARG N N 19 118.108 118.108 118.660 -0.552 25793 3801 1 10 . 1 1 19 19 ARG HA H 19 3.661 3.661 4.240 -0.579 25793 3802 1 10 . 1 1 19 19 ARG C C 19 174.575 174.575 178.352 -3.777 25793 3803 1 10 . 1 1 19 19 ARG CA C 19 57.558 57.558 59.172 -1.614 25793 3804 1 10 . 1 1 19 19 ARG CB C 19 28.140 28.140 30.231 -2.091 25793 3805 1 10 . 1 1 19 19 ARG H H 19 7.602 7.602 7.507 0.095 25793 3806 1 10 . 1 1 20 20 LYS N N 20 121.889 121.889 119.329 2.560 25793 3807 1 10 . 1 1 20 20 LYS HA H 20 3.530 3.530 4.017 -0.487 25793 3808 1 10 . 1 1 20 20 LYS C C 20 174.970 174.970 178.664 -3.694 25793 3809 1 10 . 1 1 20 20 LYS CA C 20 55.292 55.292 57.632 -2.340 25793 3810 1 10 . 1 1 20 20 LYS CB C 20 28.420 28.420 31.721 -3.301 25793 3811 1 10 . 1 1 20 20 LYS H H 20 8.304 8.304 7.929 0.375 25793 3812 1 10 . 1 1 21 21 ARG N N 21 118.825 118.825 118.371 0.454 25793 3813 1 10 . 1 1 21 21 ARG HA H 21 3.915 3.915 4.099 -0.184 25793 3814 1 10 . 1 1 21 21 ARG C C 21 176.513 176.513 177.140 -0.627 25793 3815 1 10 . 1 1 21 21 ARG CA C 21 55.003 55.003 57.995 -2.992 25793 3816 1 10 . 1 1 21 21 ARG CB C 21 26.002 26.002 29.868 -3.866 25793 3817 1 10 . 1 1 21 21 ARG H H 21 7.772 7.772 7.583 0.189 25793 3818 1 10 . 1 1 22 22 PHE N N 22 120.501 120.501 118.838 1.663 25793 3819 1 10 . 1 1 22 22 PHE HA H 22 3.899 3.899 4.331 -0.432 25793 3820 1 10 . 1 1 22 22 PHE C C 22 173.880 173.880 176.285 -2.405 25793 3821 1 10 . 1 1 22 22 PHE CA C 22 58.542 58.542 60.602 -2.059 25793 3822 1 10 . 1 1 22 22 PHE CB C 22 35.961 35.961 39.777 -3.816 25793 3823 1 10 . 1 1 22 22 PHE H H 22 7.799 7.799 7.574 0.225 25793 3824 1 10 . 1 1 23 23 ALA N N 23 123.040 123.040 121.605 1.435 25793 3825 1 10 . 1 1 23 23 ALA HA H 23 3.720 3.720 4.126 -0.406 25793 3826 1 10 . 1 1 23 23 ALA C C 23 179.545 179.545 179.903 -0.358 25793 3827 1 10 . 1 1 23 23 ALA CA C 23 51.750 51.750 55.056 -3.306 25793 3828 1 10 . 1 1 23 23 ALA CB C 23 15.970 15.970 18.345 -2.375 25793 3829 1 10 . 1 1 23 23 ALA H H 23 8.627 8.627 8.287 0.340 25793 3830 1 10 . 1 1 24 24 ASP N N 24 121.514 121.514 117.447 4.067 25793 3831 1 10 . 1 1 24 24 ASP HA H 24 4.323 4.323 4.513 -0.190 25793 3832 1 10 . 1 1 24 24 ASP C C 24 175.020 175.020 177.100 -2.080 25793 3833 1 10 . 1 1 24 24 ASP CA C 24 53.645 53.645 56.225 -2.580 25793 3834 1 10 . 1 1 24 24 ASP CB C 24 37.158 37.158 40.760 -3.602 25793 3835 1 10 . 1 1 24 24 ASP H H 24 8.846 8.846 7.897 0.949 25793 3836 1 10 . 1 1 25 25 GLN N N 25 118.127 118.127 116.922 1.205 25793 3837 1 10 . 1 1 25 25 GLN HA H 25 4.159 4.159 4.348 -0.189 25793 3838 1 10 . 1 1 25 25 GLN C C 25 171.680 171.680 174.907 -3.227 25793 3839 1 10 . 1 1 25 25 GLN CA C 25 53.101 53.101 55.209 -2.108 25793 3840 1 10 . 1 1 25 25 GLN CB C 25 25.351 25.351 29.914 -4.563 25793 3841 1 10 . 1 1 25 25 GLN H H 25 7.192 7.192 7.355 -0.163 25793 3842 1 10 . 1 1 26 26 GLU N N 26 112.361 112.361 117.510 -5.149 25793 3843 1 10 . 1 1 26 26 GLU HA H 26 3.906 3.906 3.862 0.044 25793 3844 1 10 . 1 1 26 26 GLU C C 26 173.060 173.060 175.259 -2.199 25793 3845 1 10 . 1 1 26 26 GLU CA C 26 54.352 54.352 56.757 -2.405 25793 3846 1 10 . 1 1 26 26 GLU CB C 26 22.759 22.759 27.674 -4.915 25793 3847 1 10 . 1 1 26 26 GLU H H 26 7.975 7.975 7.736 0.239 25793 3848 1 10 . 1 1 27 27 LEU N N 27 115.873 115.873 120.846 -4.973 25793 3849 1 10 . 1 1 27 27 LEU HA H 27 4.043 4.043 4.094 -0.051 25793 3850 1 10 . 1 1 27 27 LEU C C 27 172.610 172.610 175.637 -3.027 25793 3851 1 10 . 1 1 27 27 LEU CA C 27 50.921 50.921 54.275 -3.353 25793 3852 1 10 . 1 1 27 27 LEU CB C 27 40.359 40.359 42.141 -1.782 25793 3853 1 10 . 1 1 27 27 LEU H H 27 5.781 5.781 7.506 -1.725 25793 3854 1 10 . 1 1 28 28 GLY N N 28 103.011 103.011 111.338 -8.327 25793 3855 1 10 . 1 1 28 28 GLY C C 28 172.297 172.297 173.210 -0.913 25793 3856 1 10 . 1 1 28 28 GLY CA C 28 41.348 41.348 44.011 -2.663 25793 3857 1 10 . 1 1 28 28 GLY H H 28 7.785 7.785 8.100 -0.315 25793 3858 1 10 . 1 1 29 29 ASP N N 29 122.671 122.671 119.667 3.004 25793 3859 1 10 . 1 1 29 29 ASP HA H 29 4.720 4.720 4.781 -0.061 25793 3860 1 10 . 1 1 29 29 ASP C C 29 172.137 172.137 177.868 -5.731 25793 3861 1 10 . 1 1 29 29 ASP CA C 29 48.748 48.748 53.457 -4.709 25793 3862 1 10 . 1 1 29 29 ASP CB C 29 38.519 38.519 41.691 -3.172 25793 3863 1 10 . 1 1 29 29 ASP H H 29 7.515 7.515 8.286 -0.771 25793 3864 1 10 . 1 1 30 30 ALA N N 30 119.757 119.757 123.331 -3.574 25793 3865 1 10 . 1 1 30 30 ALA HA H 30 4.240 4.240 4.235 0.005 25793 3866 1 10 . 1 1 30 30 ALA CA C 30 54.400 54.400 55.303 -0.902 25793 3867 1 10 . 1 1 30 30 ALA CB C 30 12.540 12.540 16.898 -4.358 25793 3868 1 10 . 1 1 30 30 ALA H H 30 8.492 8.492 8.609 -0.117 25793 3869 1 10 . 1 1 31 31 PRO HA H 31 4.361 4.361 4.573 -0.212 25793 3870 1 10 . 1 1 31 31 PRO C C 31 175.699 175.699 178.058 -2.359 25793 3871 1 10 . 1 1 31 31 PRO CA C 31 63.220 63.220 64.510 -1.290 25793 3872 1 10 . 1 1 31 31 PRO CB C 31 28.336 28.336 31.314 -2.978 25793 3873 1 10 . 1 1 32 32 PHE N N 32 119.824 119.824 118.681 1.143 25793 3874 1 10 . 1 1 32 32 PHE HA H 32 3.885 3.885 4.270 -0.385 25793 3875 1 10 . 1 1 32 32 PHE C C 32 176.949 176.949 177.192 -0.243 25793 3876 1 10 . 1 1 32 32 PHE CA C 32 59.685 59.685 62.000 -2.315 25793 3877 1 10 . 1 1 32 32 PHE CB C 32 36.778 36.778 39.312 -2.534 25793 3878 1 10 . 1 1 32 32 PHE H H 32 7.949 7.949 7.723 0.226 25793 3879 1 10 . 1 1 33 33 LEU N N 33 121.755 121.755 119.383 2.372 25793 3880 1 10 . 1 1 33 33 LEU HA H 33 4.063 4.063 3.959 0.104 25793 3881 1 10 . 1 1 33 33 LEU C C 33 176.490 176.490 178.269 -1.779 25793 3882 1 10 . 1 1 33 33 LEU CA C 33 54.968 54.968 58.171 -3.203 25793 3883 1 10 . 1 1 33 33 LEU CB C 33 38.335 38.335 41.870 -3.535 25793 3884 1 10 . 1 1 33 33 LEU H H 33 8.386 8.386 7.745 0.641 25793 3885 1 10 . 1 1 34 34 ASP N N 34 121.771 121.771 119.855 1.916 25793 3886 1 10 . 1 1 34 34 ASP HA H 34 4.399 4.399 4.312 0.087 25793 3887 1 10 . 1 1 34 34 ASP C C 34 176.196 176.196 178.859 -2.663 25793 3888 1 10 . 1 1 34 34 ASP CA C 34 54.871 54.871 58.160 -3.289 25793 3889 1 10 . 1 1 34 34 ASP CB C 34 38.471 38.471 40.635 -2.164 25793 3890 1 10 . 1 1 34 34 ASP H H 34 8.252 8.252 7.582 0.670 25793 3891 1 10 . 1 1 35 35 ARG N N 35 119.119 119.119 119.476 -0.357 25793 3892 1 10 . 1 1 35 35 ARG HA H 35 3.818 3.818 3.936 -0.118 25793 3893 1 10 . 1 1 35 35 ARG C C 35 175.752 175.752 178.527 -2.775 25793 3894 1 10 . 1 1 35 35 ARG CA C 35 57.302 57.302 59.132 -1.830 25793 3895 1 10 . 1 1 35 35 ARG CB C 35 27.486 27.486 30.240 -2.754 25793 3896 1 10 . 1 1 35 35 ARG H H 35 8.197 8.197 7.848 0.349 25793 3897 1 10 . 1 1 36 36 LEU N N 36 120.940 120.940 119.784 1.156 25793 3898 1 10 . 1 1 36 36 LEU HA H 36 3.872 3.872 4.026 -0.154 25793 3899 1 10 . 1 1 36 36 LEU C C 36 177.676 177.676 179.148 -1.472 25793 3900 1 10 . 1 1 36 36 LEU CA C 36 55.818 55.818 57.840 -2.022 25793 3901 1 10 . 1 1 36 36 LEU CB C 36 40.156 40.156 41.323 -1.167 25793 3902 1 10 . 1 1 36 36 LEU H H 36 7.735 7.735 7.931 -0.196 25793 3903 1 10 . 1 1 37 37 ARG N N 37 120.596 120.596 117.780 2.816 25793 3904 1 10 . 1 1 37 37 ARG HA H 37 4.241 4.241 4.012 0.229 25793 3905 1 10 . 1 1 37 37 ARG C C 37 174.571 174.571 178.822 -4.251 25793 3906 1 10 . 1 1 37 37 ARG CA C 37 56.891 56.891 59.682 -2.791 25793 3907 1 10 . 1 1 37 37 ARG CB C 37 27.936 27.936 29.843 -1.907 25793 3908 1 10 . 1 1 37 37 ARG H H 37 8.006 8.006 7.651 0.355 25793 3909 1 10 . 1 1 38 38 ARG N N 38 121.436 121.436 118.507 2.929 25793 3910 1 10 . 1 1 38 38 ARG HA H 38 3.987 3.987 4.070 -0.083 25793 3911 1 10 . 1 1 38 38 ARG C C 38 177.290 177.290 178.094 -0.804 25793 3912 1 10 . 1 1 38 38 ARG CA C 38 57.131 57.131 59.157 -2.026 25793 3913 1 10 . 1 1 38 38 ARG CB C 38 27.450 27.450 30.106 -2.656 25793 3914 1 10 . 1 1 38 38 ARG H H 38 8.307 8.307 7.593 0.714 25793 3915 1 10 . 1 1 39 39 ASP N N 39 120.034 120.034 117.876 2.158 25793 3916 1 10 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.675 -0.146 25793 3917 1 10 . 1 1 39 39 ASP C C 39 174.864 174.864 178.247 -3.383 25793 3918 1 10 . 1 1 39 39 ASP CA C 39 53.700 53.700 56.480 -2.780 25793 3919 1 10 . 1 1 39 39 ASP CB C 39 37.158 37.158 41.646 -4.488 25793 3920 1 10 . 1 1 39 39 ASP H H 39 8.737 8.737 7.645 1.092 25793 3921 1 10 . 1 1 40 40 GLN N N 40 121.853 121.853 120.195 1.658 25793 3922 1 10 . 1 1 40 40 GLN HA H 40 2.999 2.999 3.979 -0.980 25793 3923 1 10 . 1 1 40 40 GLN C C 40 175.010 175.010 178.259 -3.249 25793 3924 1 10 . 1 1 40 40 GLN CA C 40 56.747 56.747 59.294 -2.547 25793 3925 1 10 . 1 1 40 40 GLN CB C 40 25.196 25.196 28.960 -3.764 25793 3926 1 10 . 1 1 40 40 GLN H H 40 7.954 7.954 8.262 -0.308 25793 3927 1 10 . 1 1 41 41 LYS N N 41 117.346 117.346 119.215 -1.869 25793 3928 1 10 . 1 1 41 41 LYS HA H 41 3.914 3.914 4.080 -0.166 25793 3929 1 10 . 1 1 41 41 LYS C C 41 177.117 177.117 179.291 -2.174 25793 3930 1 10 . 1 1 41 41 LYS CA C 41 56.689 56.689 59.324 -2.635 25793 3931 1 10 . 1 1 41 41 LYS CB C 41 29.446 29.446 32.080 -2.634 25793 3932 1 10 . 1 1 41 41 LYS H H 41 7.014 7.014 7.532 -0.518 25793 3933 1 10 . 1 1 42 42 SER N N 42 115.844 115.844 116.390 -0.546 25793 3934 1 10 . 1 1 42 42 SER HA H 42 4.262 4.262 4.303 -0.041 25793 3935 1 10 . 1 1 42 42 SER C C 42 175.262 175.262 176.433 -1.171 25793 3936 1 10 . 1 1 42 42 SER CA C 42 58.256 58.256 61.221 -2.965 25793 3937 1 10 . 1 1 42 42 SER CB C 42 59.683 59.683 62.831 -3.148 25793 3938 1 10 . 1 1 42 42 SER H H 42 7.875 7.875 7.687 0.188 25793 3939 1 10 . 1 1 43 43 LEU N N 43 123.254 123.254 122.500 0.754 25793 3940 1 10 . 1 1 43 43 LEU HA H 43 4.082 4.082 4.034 0.048 25793 3941 1 10 . 1 1 43 43 LEU C C 43 176.505 176.505 178.989 -2.484 25793 3942 1 10 . 1 1 43 43 LEU CA C 43 55.621 55.621 58.154 -2.534 25793 3943 1 10 . 1 1 43 43 LEU CB C 43 38.460 38.460 41.904 -3.444 25793 3944 1 10 . 1 1 43 43 LEU H H 43 8.736 8.736 8.303 0.433 25793 3945 1 10 . 1 1 44 44 ARG N N 44 118.877 118.877 118.107 0.770 25793 3946 1 10 . 1 1 44 44 ARG HA H 44 4.011 4.011 3.983 0.028 25793 3947 1 10 . 1 1 44 44 ARG C C 44 177.379 177.379 178.958 -1.579 25793 3948 1 10 . 1 1 44 44 ARG CA C 44 56.911 56.911 59.563 -2.652 25793 3949 1 10 . 1 1 44 44 ARG CB C 44 26.602 26.602 30.018 -3.416 25793 3950 1 10 . 1 1 44 44 ARG H H 44 7.686 7.686 7.650 0.036 25793 3951 1 10 . 1 1 45 45 GLY N N 45 107.372 107.372 106.246 1.126 25793 3952 1 10 . 1 1 45 45 GLY C C 45 173.935 173.935 175.823 -1.888 25793 3953 1 10 . 1 1 45 45 GLY CA C 45 44.395 44.395 46.405 -2.010 25793 3954 1 10 . 1 1 45 45 GLY H H 45 7.762 7.762 8.096 -0.334 25793 3955 1 10 . 1 1 46 46 ARG N N 46 123.780 123.780 121.875 1.905 25793 3956 1 10 . 1 1 46 46 ARG HA H 46 3.902 3.902 4.246 -0.344 25793 3957 1 10 . 1 1 46 46 ARG C C 46 175.910 175.910 178.467 -2.557 25793 3958 1 10 . 1 1 46 46 ARG CA C 46 56.375 56.375 58.382 -2.007 25793 3959 1 10 . 1 1 46 46 ARG CB C 46 28.851 28.851 30.270 -1.419 25793 3960 1 10 . 1 1 46 46 ARG H H 46 8.381 8.381 7.653 0.728 25793 3961 1 10 . 1 1 47 47 GLY N N 47 107.330 107.330 107.133 0.197 25793 3962 1 10 . 1 1 47 47 GLY C C 47 173.406 173.406 175.955 -2.549 25793 3963 1 10 . 1 1 47 47 GLY CA C 47 45.429 45.429 46.726 -1.297 25793 3964 1 10 . 1 1 47 47 GLY H H 47 8.782 8.782 7.813 0.969 25793 3965 1 10 . 1 1 48 48 SER N N 48 116.214 116.214 117.731 -1.517 25793 3966 1 10 . 1 1 48 48 SER HA H 48 4.200 4.200 4.145 0.055 25793 3967 1 10 . 1 1 48 48 SER C C 48 174.824 174.824 176.908 -2.084 25793 3968 1 10 . 1 1 48 48 SER CA C 48 58.531 58.531 61.522 -2.991 25793 3969 1 10 . 1 1 48 48 SER CB C 48 59.837 59.837 62.775 -2.938 25793 3970 1 10 . 1 1 48 48 SER H H 48 7.737 7.737 7.697 0.040 25793 3971 1 10 . 1 1 49 49 THR N N 49 118.158 118.158 118.112 0.046 25793 3972 1 10 . 1 1 49 49 THR HA H 49 3.885 3.885 3.981 -0.096 25793 3973 1 10 . 1 1 49 49 THR C C 49 173.322 173.322 176.286 -2.964 25793 3974 1 10 . 1 1 49 49 THR CA C 49 63.385 63.385 65.024 -1.639 25793 3975 1 10 . 1 1 49 49 THR CB C 49 65.997 65.997 68.691 -2.694 25793 3976 1 10 . 1 1 49 49 THR H H 49 7.784 7.784 7.475 0.309 25793 3977 1 10 . 1 1 50 50 LEU N N 50 118.727 118.727 120.412 -1.685 25793 3978 1 10 . 1 1 50 50 LEU HA H 50 4.050 4.050 4.305 -0.255 25793 3979 1 10 . 1 1 50 50 LEU C C 50 174.153 174.153 177.586 -3.433 25793 3980 1 10 . 1 1 50 50 LEU CA C 50 52.580 52.580 54.823 -2.243 25793 3981 1 10 . 1 1 50 50 LEU CB C 50 39.994 39.994 42.336 -2.342 25793 3982 1 10 . 1 1 50 50 LEU H H 50 7.734 7.734 7.615 0.119 25793 3983 1 10 . 1 1 51 51 GLY N N 51 108.894 108.894 107.741 1.153 25793 3984 1 10 . 1 1 51 51 GLY C C 51 171.597 171.597 174.053 -2.456 25793 3985 1 10 . 1 1 51 51 GLY CA C 51 43.400 43.400 45.422 -2.022 25793 3986 1 10 . 1 1 51 51 GLY H H 51 7.698 7.698 7.672 0.026 25793 3987 1 10 . 1 1 52 52 LEU N N 52 119.252 119.252 120.103 -0.851 25793 3988 1 10 . 1 1 52 52 LEU HA H 52 4.638 4.638 4.562 0.076 25793 3989 1 10 . 1 1 52 52 LEU C C 52 172.244 172.244 176.411 -4.167 25793 3990 1 10 . 1 1 52 52 LEU CA C 52 50.261 50.261 54.043 -3.782 25793 3991 1 10 . 1 1 52 52 LEU CB C 52 42.411 42.411 44.433 -2.022 25793 3992 1 10 . 1 1 52 52 LEU H H 52 7.661 7.661 7.541 0.120 25793 3993 1 10 . 1 1 53 53 ASP N N 53 121.433 121.433 124.465 -3.032 25793 3994 1 10 . 1 1 53 53 ASP HA H 53 4.658 4.658 4.672 -0.014 25793 3995 1 10 . 1 1 53 53 ASP C C 53 174.204 174.204 177.267 -3.063 25793 3996 1 10 . 1 1 53 53 ASP CA C 53 50.435 50.435 55.230 -4.795 25793 3997 1 10 . 1 1 53 53 ASP CB C 53 40.206 40.206 41.890 -1.684 25793 3998 1 10 . 1 1 53 53 ASP H H 53 8.127 8.127 8.561 -0.434 25793 3999 1 10 . 1 1 54 54 ILE N N 54 125.804 125.804 127.356 -1.552 25793 4000 1 10 . 1 1 54 54 ILE HA H 54 3.797 3.797 3.715 0.082 25793 4001 1 10 . 1 1 54 54 ILE C C 54 176.613 176.613 177.213 -0.600 25793 4002 1 10 . 1 1 54 54 ILE CA C 54 62.133 62.133 64.406 -2.273 25793 4003 1 10 . 1 1 54 54 ILE CB C 54 35.036 35.036 38.596 -3.560 25793 4004 1 10 . 1 1 54 54 ILE H H 54 8.788 8.788 8.788 0.000 25793 4005 1 10 . 1 1 55 55 GLU N N 55 125.797 125.797 119.166 6.631 25793 4006 1 10 . 1 1 55 55 GLU HA H 55 4.009 4.009 4.045 -0.036 25793 4007 1 10 . 1 1 55 55 GLU C C 55 176.730 176.730 179.010 -2.280 25793 4008 1 10 . 1 1 55 55 GLU CA C 55 57.998 57.998 59.886 -1.888 25793 4009 1 10 . 1 1 55 55 GLU CB C 55 25.895 25.895 29.035 -3.140 25793 4010 1 10 . 1 1 55 55 GLU H H 55 8.945 8.945 8.737 0.208 25793 4011 1 10 . 1 1 56 56 THR N N 56 117.286 117.286 114.310 2.976 25793 4012 1 10 . 1 1 56 56 THR HA H 56 3.817 3.817 4.121 -0.304 25793 4013 1 10 . 1 1 56 56 THR C C 56 174.617 174.617 175.570 -0.953 25793 4014 1 10 . 1 1 56 56 THR CA C 56 63.766 63.766 65.525 -1.760 25793 4015 1 10 . 1 1 56 56 THR CB C 56 65.452 65.452 68.490 -3.038 25793 4016 1 10 . 1 1 56 56 THR H H 56 8.240 8.240 8.149 0.091 25793 4017 1 10 . 1 1 57 57 ALA N N 57 125.072 125.072 123.642 1.430 25793 4018 1 10 . 1 1 57 57 ALA HA H 57 4.230 4.230 4.163 0.067 25793 4019 1 10 . 1 1 57 57 ALA C C 57 176.346 176.346 179.039 -2.693 25793 4020 1 10 . 1 1 57 57 ALA CA C 57 52.650 52.650 54.943 -2.293 25793 4021 1 10 . 1 1 57 57 ALA CB C 57 17.400 17.400 18.328 -0.928 25793 4022 1 10 . 1 1 57 57 ALA H H 57 8.121 8.121 7.996 0.125 25793 4023 1 10 . 1 1 58 58 THR N N 58 115.752 115.752 110.526 5.226 25793 4024 1 10 . 1 1 58 58 THR HA H 58 3.632 3.632 4.151 -0.519 25793 4025 1 10 . 1 1 58 58 THR C C 58 172.862 172.862 176.172 -3.310 25793 4026 1 10 . 1 1 58 58 THR CA C 58 65.100 65.100 65.695 -0.595 25793 4027 1 10 . 1 1 58 58 THR CB C 58 66.100 66.100 68.704 -2.604 25793 4028 1 10 . 1 1 58 58 THR H H 58 8.381 8.381 8.472 -0.091 25793 4029 1 10 . 1 1 59 59 ARG N N 59 120.537 120.537 121.030 -0.493 25793 4030 1 10 . 1 1 59 59 ARG HA H 59 3.911 3.911 4.262 -0.351 25793 4031 1 10 . 1 1 59 59 ARG C C 59 176.099 176.099 178.000 -1.901 25793 4032 1 10 . 1 1 59 59 ARG CA C 59 56.616 56.616 58.758 -2.142 25793 4033 1 10 . 1 1 59 59 ARG CB C 59 27.022 27.022 30.411 -3.389 25793 4034 1 10 . 1 1 59 59 ARG H H 59 7.245 7.245 7.306 -0.061 25793 4035 1 10 . 1 1 60 60 ALA N N 60 121.996 121.996 122.293 -0.297 25793 4036 1 10 . 1 1 60 60 ALA HA H 60 4.120 4.120 4.045 0.075 25793 4037 1 10 . 1 1 60 60 ALA C C 60 178.745 178.745 179.195 -0.450 25793 4038 1 10 . 1 1 60 60 ALA CA C 60 52.000 52.000 54.853 -2.853 25793 4039 1 10 . 1 1 60 60 ALA CB C 60 15.824 15.824 18.465 -2.641 25793 4040 1 10 . 1 1 60 60 ALA H H 60 7.489 7.489 8.265 -0.776 25793 4041 1 10 . 1 1 61 61 GLY N N 61 108.024 108.024 105.101 2.923 25793 4042 1 10 . 1 1 61 61 GLY C C 61 171.515 171.515 175.402 -3.887 25793 4043 1 10 . 1 1 61 61 GLY CA C 61 43.797 43.797 46.264 -2.467 25793 4044 1 10 . 1 1 61 61 GLY H H 61 8.721 8.721 8.374 0.347 25793 4045 1 10 . 1 1 62 62 LYS N N 62 123.393 123.393 121.817 1.576 25793 4046 1 10 . 1 1 62 62 LYS HA H 62 1.780 1.780 2.352 -0.572 25793 4047 1 10 . 1 1 62 62 LYS C C 62 174.612 174.612 178.405 -3.793 25793 4048 1 10 . 1 1 62 62 LYS CA C 62 56.683 56.683 59.086 -2.403 25793 4049 1 10 . 1 1 62 62 LYS CB C 62 29.920 29.920 32.005 -2.085 25793 4050 1 10 . 1 1 62 62 LYS H H 62 7.683 7.683 7.389 0.294 25793 4051 1 10 . 1 1 63 63 GLN N N 63 114.582 114.582 116.420 -1.838 25793 4052 1 10 . 1 1 63 63 GLN HA H 63 3.920 3.920 3.973 -0.053 25793 4053 1 10 . 1 1 63 63 GLN C C 63 176.294 176.294 178.521 -2.227 25793 4054 1 10 . 1 1 63 63 GLN CA C 63 55.604 55.604 58.282 -2.678 25793 4055 1 10 . 1 1 63 63 GLN CB C 63 25.557 25.557 28.761 -3.204 25793 4056 1 10 . 1 1 63 63 GLN H H 63 6.637 6.637 7.353 -0.716 25793 4057 1 10 . 1 1 64 64 ILE N N 64 119.051 119.051 120.238 -1.187 25793 4058 1 10 . 1 1 64 64 ILE HA H 64 3.571 3.571 3.599 -0.028 25793 4059 1 10 . 1 1 64 64 ILE C C 64 175.402 175.402 178.041 -2.639 25793 4060 1 10 . 1 1 64 64 ILE CA C 64 62.529 62.529 65.464 -2.935 25793 4061 1 10 . 1 1 64 64 ILE CB C 64 36.198 36.198 37.787 -1.589 25793 4062 1 10 . 1 1 64 64 ILE H H 64 7.092 7.092 7.215 -0.123 25793 4063 1 10 . 1 1 65 65 VAL N N 65 118.800 118.800 119.291 -0.491 25793 4064 1 10 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.539 -0.153 25793 4065 1 10 . 1 1 65 65 VAL C C 65 174.546 174.546 178.061 -3.515 25793 4066 1 10 . 1 1 65 65 VAL CA C 65 64.500 64.500 66.008 -1.508 25793 4067 1 10 . 1 1 65 65 VAL CB C 65 28.300 28.300 30.643 -2.343 25793 4068 1 10 . 1 1 65 65 VAL H H 65 8.103 8.103 7.878 0.225 25793 4069 1 10 . 1 1 66 66 GLU N N 66 118.966 118.966 119.059 -0.093 25793 4070 1 10 . 1 1 66 66 GLU HA H 66 3.810 3.810 3.931 -0.121 25793 4071 1 10 . 1 1 66 66 GLU C C 66 176.292 176.292 179.300 -3.008 25793 4072 1 10 . 1 1 66 66 GLU CA C 66 57.618 57.618 59.272 -1.654 25793 4073 1 10 . 1 1 66 66 GLU CB C 66 26.391 26.391 29.303 -2.912 25793 4074 1 10 . 1 1 66 66 GLU H H 66 8.654 8.654 7.467 1.187 25793 4075 1 10 . 1 1 67 67 ARG N N 67 118.499 118.499 118.726 -0.227 25793 4076 1 10 . 1 1 67 67 ARG HA H 67 3.990 3.990 4.022 -0.032 25793 4077 1 10 . 1 1 67 67 ARG C C 67 176.039 176.039 179.281 -3.242 25793 4078 1 10 . 1 1 67 67 ARG CA C 67 56.996 56.996 58.977 -1.981 25793 4079 1 10 . 1 1 67 67 ARG CB C 67 26.783 26.783 30.203 -3.420 25793 4080 1 10 . 1 1 67 67 ARG H H 67 7.270 7.270 7.791 -0.521 25793 4081 1 10 . 1 1 68 68 ILE N N 68 120.031 120.031 115.648 4.383 25793 4082 1 10 . 1 1 68 68 ILE HA H 68 3.721 3.721 4.068 -0.347 25793 4083 1 10 . 1 1 68 68 ILE C C 68 176.061 176.061 177.009 -0.948 25793 4084 1 10 . 1 1 68 68 ILE CA C 68 61.970 61.970 64.196 -2.226 25793 4085 1 10 . 1 1 68 68 ILE CB C 68 35.254 35.254 37.687 -2.433 25793 4086 1 10 . 1 1 68 68 ILE H H 68 7.569 7.569 8.464 -0.895 25793 4087 1 10 . 1 1 69 69 LEU N N 69 118.859 118.859 120.459 -1.600 25793 4088 1 10 . 1 1 69 69 LEU HA H 69 4.127 4.127 4.203 -0.076 25793 4089 1 10 . 1 1 69 69 LEU C C 69 176.859 176.859 178.337 -1.478 25793 4090 1 10 . 1 1 69 69 LEU CA C 69 54.525 54.525 57.069 -2.544 25793 4091 1 10 . 1 1 69 69 LEU CB C 69 38.150 38.150 42.414 -4.264 25793 4092 1 10 . 1 1 69 69 LEU H H 69 8.305 8.305 7.521 0.784 25793 4093 1 10 . 1 1 70 70 LYS N N 70 119.685 119.685 118.422 1.263 25793 4094 1 10 . 1 1 70 70 LYS HA H 70 4.098 4.098 4.199 -0.101 25793 4095 1 10 . 1 1 70 70 LYS C C 70 175.484 175.484 177.680 -2.196 25793 4096 1 10 . 1 1 70 70 LYS CA C 70 55.580 55.580 58.269 -2.689 25793 4097 1 10 . 1 1 70 70 LYS CB C 70 29.700 29.700 32.842 -3.142 25793 4098 1 10 . 1 1 70 70 LYS H H 70 7.748 7.748 7.756 -0.008 25793 4099 1 10 . 1 1 71 71 GLU N N 71 118.055 118.055 119.012 -0.957 25793 4100 1 10 . 1 1 71 71 GLU HA H 71 4.175 4.175 4.256 -0.081 25793 4101 1 10 . 1 1 71 71 GLU C C 71 174.094 174.094 177.664 -3.570 25793 4102 1 10 . 1 1 71 71 GLU CA C 71 54.411 54.411 58.556 -4.145 25793 4103 1 10 . 1 1 71 71 GLU CB C 71 27.038 27.038 30.623 -3.585 25793 4104 1 10 . 1 1 71 71 GLU H H 71 7.644 7.644 8.066 -0.422 25793 4105 1 10 . 1 1 72 72 GLU N N 72 118.922 118.922 116.160 2.762 25793 4106 1 10 . 1 1 72 72 GLU HA H 72 4.164 4.164 4.502 -0.338 25793 4107 1 10 . 1 1 72 72 GLU C C 72 172.677 172.677 176.258 -3.581 25793 4108 1 10 . 1 1 72 72 GLU CA C 72 53.047 53.047 56.266 -3.219 25793 4109 1 10 . 1 1 72 72 GLU CB C 72 25.297 25.297 31.834 -6.537 25793 4110 1 10 . 1 1 72 72 GLU H H 72 7.603 7.603 7.949 -0.346 25793 4111 1 11 . 1 1 2 2 ASP HA H 2 4.703 4.703 4.937 -0.234 25793 4112 1 11 . 1 1 2 2 ASP C C 2 173.678 173.678 174.943 -1.265 25793 4113 1 11 . 1 1 2 2 ASP CA C 2 51.357 51.357 54.224 -2.867 25793 4114 1 11 . 1 1 2 2 ASP CB C 2 39.114 39.114 42.848 -3.734 25793 4115 1 11 . 1 1 3 3 SER N N 3 118.993 118.993 118.589 0.404 25793 4116 1 11 . 1 1 3 3 SER HA H 3 4.237 4.237 4.477 -0.240 25793 4117 1 11 . 1 1 3 3 SER C C 3 173.240 173.240 175.307 -2.067 25793 4118 1 11 . 1 1 3 3 SER CA C 3 57.300 57.300 59.607 -2.307 25793 4119 1 11 . 1 1 3 3 SER CB C 3 60.653 60.653 64.674 -4.021 25793 4120 1 11 . 1 1 3 3 SER H H 3 8.745 8.745 8.861 -0.116 25793 4121 1 11 . 1 1 4 4 ASN N N 4 122.369 122.369 120.158 2.211 25793 4122 1 11 . 1 1 4 4 ASN HA H 4 4.576 4.576 4.762 -0.186 25793 4123 1 11 . 1 1 4 4 ASN C C 4 176.101 176.101 176.482 -0.381 25793 4124 1 11 . 1 1 4 4 ASN CA C 4 52.488 52.488 55.325 -2.837 25793 4125 1 11 . 1 1 4 4 ASN CB C 4 33.507 33.507 38.937 -5.430 25793 4126 1 11 . 1 1 4 4 ASN H H 4 8.865 8.865 8.767 0.098 25793 4127 1 11 . 1 1 5 5 THR N N 5 122.349 122.349 115.750 6.599 25793 4128 1 11 . 1 1 5 5 THR HA H 5 4.330 4.330 4.341 -0.011 25793 4129 1 11 . 1 1 5 5 THR C C 5 174.576 174.576 175.661 -1.085 25793 4130 1 11 . 1 1 5 5 THR CA C 5 63.330 63.330 64.748 -1.418 25793 4131 1 11 . 1 1 5 5 THR CB C 5 66.155 66.155 68.732 -2.577 25793 4132 1 11 . 1 1 5 5 THR H H 5 8.200 8.200 8.176 0.024 25793 4133 1 11 . 1 1 6 6 VAL N N 6 124.255 124.255 120.316 3.939 25793 4134 1 11 . 1 1 6 6 VAL HA H 6 3.480 3.480 4.134 -0.654 25793 4135 1 11 . 1 1 6 6 VAL C C 6 174.988 174.988 177.049 -2.061 25793 4136 1 11 . 1 1 6 6 VAL CA C 6 64.919 64.919 64.540 0.379 25793 4137 1 11 . 1 1 6 6 VAL CB C 6 28.699 28.699 32.436 -3.737 25793 4138 1 11 . 1 1 6 6 VAL H H 6 7.590 7.590 7.701 -0.111 25793 4139 1 11 . 1 1 7 7 SER N N 7 116.402 116.402 116.752 -0.350 25793 4140 1 11 . 1 1 7 7 SER HA H 7 4.459 4.459 4.259 0.200 25793 4141 1 11 . 1 1 7 7 SER C C 7 173.494 173.494 176.775 -3.281 25793 4142 1 11 . 1 1 7 7 SER CA C 7 59.174 59.174 62.529 -3.355 25793 4143 1 11 . 1 1 7 7 SER CB C 7 60.020 60.020 62.907 -2.886 25793 4144 1 11 . 1 1 7 7 SER H H 7 8.721 8.721 8.145 0.576 25793 4145 1 11 . 1 1 8 8 SER N N 8 116.463 116.463 116.655 -0.192 25793 4146 1 11 . 1 1 8 8 SER HA H 8 3.745 3.745 4.356 -0.611 25793 4147 1 11 . 1 1 8 8 SER C C 8 171.540 171.540 175.836 -4.296 25793 4148 1 11 . 1 1 8 8 SER CA C 8 60.322 60.322 61.290 -0.968 25793 4149 1 11 . 1 1 8 8 SER CB C 8 60.785 60.785 63.194 -2.409 25793 4150 1 11 . 1 1 8 8 SER H H 8 8.213 8.213 7.855 0.358 25793 4151 1 11 . 1 1 9 9 PHE N N 9 121.530 121.530 123.207 -1.677 25793 4152 1 11 . 1 1 9 9 PHE HA H 9 4.405 4.405 4.535 -0.130 25793 4153 1 11 . 1 1 9 9 PHE C C 9 174.481 174.481 176.386 -1.905 25793 4154 1 11 . 1 1 9 9 PHE CA C 9 58.488 58.488 60.252 -1.764 25793 4155 1 11 . 1 1 9 9 PHE CB C 9 36.397 36.397 39.675 -3.278 25793 4156 1 11 . 1 1 9 9 PHE H H 9 7.387 7.387 7.396 -0.009 25793 4157 1 11 . 1 1 10 10 GLN N N 10 119.460 119.460 118.888 0.572 25793 4158 1 11 . 1 1 10 10 GLN HA H 10 3.516 3.516 3.821 -0.305 25793 4159 1 11 . 1 1 10 10 GLN C C 10 176.083 176.083 178.751 -2.668 25793 4160 1 11 . 1 1 10 10 GLN CA C 10 56.595 56.595 59.085 -2.490 25793 4161 1 11 . 1 1 10 10 GLN CB C 10 23.672 23.672 28.802 -5.130 25793 4162 1 11 . 1 1 10 10 GLN H H 10 8.335 8.335 8.335 0.000 25793 4163 1 11 . 1 1 11 11 VAL N N 11 119.513 119.513 119.720 -0.207 25793 4164 1 11 . 1 1 11 11 VAL HA H 11 3.300 3.300 3.793 -0.493 25793 4165 1 11 . 1 1 11 11 VAL C C 11 174.535 174.535 177.501 -2.966 25793 4166 1 11 . 1 1 11 11 VAL CA C 11 65.180 65.180 66.540 -1.361 25793 4167 1 11 . 1 1 11 11 VAL CB C 11 28.300 28.300 31.621 -3.321 25793 4168 1 11 . 1 1 11 11 VAL H H 11 8.127 8.127 7.961 0.166 25793 4169 1 11 . 1 1 12 12 ASP N N 12 120.959 120.959 121.182 -0.223 25793 4170 1 11 . 1 1 12 12 ASP HA H 12 4.414 4.414 4.496 -0.082 25793 4171 1 11 . 1 1 12 12 ASP C C 12 177.940 177.940 178.310 -0.370 25793 4172 1 11 . 1 1 12 12 ASP CA C 12 55.349 55.349 57.975 -2.626 25793 4173 1 11 . 1 1 12 12 ASP CB C 12 37.275 37.275 40.588 -3.313 25793 4174 1 11 . 1 1 12 12 ASP H H 12 8.116 8.116 7.792 0.324 25793 4175 1 11 . 1 1 13 13 CYS N N 13 119.479 119.479 118.859 0.620 25793 4176 1 11 . 1 1 13 13 CYS HA H 13 4.015 4.015 4.093 -0.078 25793 4177 1 11 . 1 1 13 13 CYS C C 13 175.349 175.349 176.446 -1.097 25793 4178 1 11 . 1 1 13 13 CYS CA C 13 62.384 62.384 64.321 -1.937 25793 4179 1 11 . 1 1 13 13 CYS CB C 13 23.610 23.610 27.478 -3.868 25793 4180 1 11 . 1 1 13 13 CYS H H 13 8.448 8.448 7.762 0.686 25793 4181 1 11 . 1 1 14 14 PHE N N 14 121.085 121.085 121.018 0.067 25793 4182 1 11 . 1 1 14 14 PHE HA H 14 4.460 4.460 4.360 0.100 25793 4183 1 11 . 1 1 14 14 PHE C C 14 174.143 174.143 177.012 -2.869 25793 4184 1 11 . 1 1 14 14 PHE CA C 14 59.902 59.902 60.568 -0.666 25793 4185 1 11 . 1 1 14 14 PHE CB C 14 35.907 35.907 39.114 -3.207 25793 4186 1 11 . 1 1 14 14 PHE H H 14 8.244 8.244 7.676 0.568 25793 4187 1 11 . 1 1 15 15 LEU N N 15 118.069 118.069 119.591 -1.522 25793 4188 1 11 . 1 1 15 15 LEU HA H 15 3.735 3.735 3.728 0.007 25793 4189 1 11 . 1 1 15 15 LEU C C 15 176.261 176.261 178.734 -2.473 25793 4190 1 11 . 1 1 15 15 LEU CA C 15 55.494 55.494 57.872 -2.378 25793 4191 1 11 . 1 1 15 15 LEU CB C 15 36.676 36.676 41.008 -4.332 25793 4192 1 11 . 1 1 15 15 LEU H H 15 9.072 9.072 8.004 1.068 25793 4193 1 11 . 1 1 16 16 TRP N N 16 120.587 120.587 120.109 0.478 25793 4194 1 11 . 1 1 16 16 TRP HA H 16 3.660 3.660 4.208 -0.548 25793 4195 1 11 . 1 1 16 16 TRP C C 16 173.925 173.925 178.000 -4.075 25793 4196 1 11 . 1 1 16 16 TRP CA C 16 61.127 61.127 61.822 -0.695 25793 4197 1 11 . 1 1 16 16 TRP CB C 16 26.247 26.247 29.494 -3.247 25793 4198 1 11 . 1 1 16 16 TRP H H 16 8.142 8.142 8.628 -0.486 25793 4199 1 11 . 1 1 17 17 HIS N N 17 117.927 117.927 117.984 -0.057 25793 4200 1 11 . 1 1 17 17 HIS HA H 17 4.022 4.022 4.338 -0.316 25793 4201 1 11 . 1 1 17 17 HIS C C 17 173.650 173.650 176.708 -3.058 25793 4202 1 11 . 1 1 17 17 HIS CA C 17 57.350 57.350 59.355 -2.005 25793 4203 1 11 . 1 1 17 17 HIS CB C 17 25.231 25.231 30.114 -4.883 25793 4204 1 11 . 1 1 17 17 HIS H H 17 7.697 7.697 7.601 0.096 25793 4205 1 11 . 1 1 18 18 VAL N N 18 118.787 118.787 119.621 -0.834 25793 4206 1 11 . 1 1 18 18 VAL HA H 18 2.949 2.949 3.480 -0.531 25793 4207 1 11 . 1 1 18 18 VAL C C 18 174.321 174.321 177.694 -3.373 25793 4208 1 11 . 1 1 18 18 VAL CA C 18 64.400 64.400 66.148 -1.748 25793 4209 1 11 . 1 1 18 18 VAL CB C 18 28.400 28.400 31.577 -3.177 25793 4210 1 11 . 1 1 18 18 VAL H H 18 7.651 7.651 7.367 0.284 25793 4211 1 11 . 1 1 19 19 ARG N N 19 118.108 118.108 118.642 -0.534 25793 4212 1 11 . 1 1 19 19 ARG HA H 19 3.661 3.661 4.153 -0.492 25793 4213 1 11 . 1 1 19 19 ARG C C 19 174.575 174.575 178.170 -3.595 25793 4214 1 11 . 1 1 19 19 ARG CA C 19 57.558 57.558 59.270 -1.712 25793 4215 1 11 . 1 1 19 19 ARG CB C 19 28.140 28.140 30.188 -2.048 25793 4216 1 11 . 1 1 19 19 ARG H H 19 7.602 7.602 8.082 -0.480 25793 4217 1 11 . 1 1 20 20 LYS N N 20 121.889 121.889 118.839 3.050 25793 4218 1 11 . 1 1 20 20 LYS HA H 20 3.530 3.530 3.980 -0.450 25793 4219 1 11 . 1 1 20 20 LYS C C 20 174.970 174.970 178.257 -3.287 25793 4220 1 11 . 1 1 20 20 LYS CA C 20 55.292 55.292 58.131 -2.839 25793 4221 1 11 . 1 1 20 20 LYS CB C 20 28.420 28.420 31.460 -3.040 25793 4222 1 11 . 1 1 20 20 LYS H H 20 8.304 8.304 7.699 0.605 25793 4223 1 11 . 1 1 21 21 ARG N N 21 118.825 118.825 119.004 -0.179 25793 4224 1 11 . 1 1 21 21 ARG HA H 21 3.915 3.915 4.083 -0.168 25793 4225 1 11 . 1 1 21 21 ARG C C 21 176.513 176.513 177.213 -0.700 25793 4226 1 11 . 1 1 21 21 ARG CA C 21 55.003 55.003 58.019 -3.016 25793 4227 1 11 . 1 1 21 21 ARG CB C 21 26.002 26.002 29.919 -3.917 25793 4228 1 11 . 1 1 21 21 ARG H H 21 7.772 7.772 7.222 0.550 25793 4229 1 11 . 1 1 22 22 PHE N N 22 120.501 120.501 119.065 1.436 25793 4230 1 11 . 1 1 22 22 PHE HA H 22 3.899 3.899 4.335 -0.436 25793 4231 1 11 . 1 1 22 22 PHE C C 22 173.880 173.880 176.019 -2.139 25793 4232 1 11 . 1 1 22 22 PHE CA C 22 58.542 58.542 60.376 -1.834 25793 4233 1 11 . 1 1 22 22 PHE CB C 22 35.961 35.961 39.597 -3.636 25793 4234 1 11 . 1 1 22 22 PHE H H 22 7.799 7.799 7.573 0.226 25793 4235 1 11 . 1 1 23 23 ALA N N 23 123.040 123.040 121.060 1.980 25793 4236 1 11 . 1 1 23 23 ALA HA H 23 3.720 3.720 4.004 -0.284 25793 4237 1 11 . 1 1 23 23 ALA C C 23 179.545 179.545 180.103 -0.558 25793 4238 1 11 . 1 1 23 23 ALA CA C 23 51.750 51.750 55.222 -3.472 25793 4239 1 11 . 1 1 23 23 ALA CB C 23 15.970 15.970 18.142 -2.172 25793 4240 1 11 . 1 1 23 23 ALA H H 23 8.627 8.627 8.031 0.596 25793 4241 1 11 . 1 1 24 24 ASP N N 24 121.514 121.514 117.586 3.928 25793 4242 1 11 . 1 1 24 24 ASP HA H 24 4.323 4.323 4.495 -0.172 25793 4243 1 11 . 1 1 24 24 ASP C C 24 175.020 175.020 177.175 -2.155 25793 4244 1 11 . 1 1 24 24 ASP CA C 24 53.645 53.645 56.278 -2.633 25793 4245 1 11 . 1 1 24 24 ASP CB C 24 37.158 37.158 40.769 -3.611 25793 4246 1 11 . 1 1 24 24 ASP H H 24 8.846 8.846 7.860 0.986 25793 4247 1 11 . 1 1 25 25 GLN N N 25 118.127 118.127 117.371 0.756 25793 4248 1 11 . 1 1 25 25 GLN HA H 25 4.159 4.159 4.302 -0.143 25793 4249 1 11 . 1 1 25 25 GLN C C 25 171.680 171.680 174.825 -3.145 25793 4250 1 11 . 1 1 25 25 GLN CA C 25 53.101 53.101 55.574 -2.473 25793 4251 1 11 . 1 1 25 25 GLN CB C 25 25.351 25.351 29.868 -4.517 25793 4252 1 11 . 1 1 25 25 GLN H H 25 7.192 7.192 7.466 -0.275 25793 4253 1 11 . 1 1 26 26 GLU N N 26 112.361 112.361 117.105 -4.744 25793 4254 1 11 . 1 1 26 26 GLU HA H 26 3.906 3.906 3.828 0.078 25793 4255 1 11 . 1 1 26 26 GLU C C 26 173.060 173.060 175.803 -2.743 25793 4256 1 11 . 1 1 26 26 GLU CA C 26 54.352 54.352 57.440 -3.088 25793 4257 1 11 . 1 1 26 26 GLU CB C 26 22.759 22.759 27.603 -4.844 25793 4258 1 11 . 1 1 26 26 GLU H H 26 7.975 7.975 7.801 0.174 25793 4259 1 11 . 1 1 27 27 LEU N N 27 115.873 115.873 117.518 -1.645 25793 4260 1 11 . 1 1 27 27 LEU HA H 27 4.043 4.043 4.217 -0.174 25793 4261 1 11 . 1 1 27 27 LEU C C 27 172.610 172.610 176.818 -4.208 25793 4262 1 11 . 1 1 27 27 LEU CA C 27 50.921 50.921 54.637 -3.716 25793 4263 1 11 . 1 1 27 27 LEU CB C 27 40.359 40.359 42.408 -2.049 25793 4264 1 11 . 1 1 27 27 LEU H H 27 5.781 5.781 7.577 -1.796 25793 4265 1 11 . 1 1 28 28 GLY N N 28 103.011 103.011 106.659 -3.648 25793 4266 1 11 . 1 1 28 28 GLY C C 28 172.297 172.297 172.513 -0.216 25793 4267 1 11 . 1 1 28 28 GLY CA C 28 41.348 41.348 44.381 -3.033 25793 4268 1 11 . 1 1 28 28 GLY H H 28 7.785 7.785 7.471 0.314 25793 4269 1 11 . 1 1 29 29 ASP N N 29 122.671 122.671 123.069 -0.398 25793 4270 1 11 . 1 1 29 29 ASP HA H 29 4.720 4.720 4.856 -0.136 25793 4271 1 11 . 1 1 29 29 ASP C C 29 172.137 172.137 177.544 -5.407 25793 4272 1 11 . 1 1 29 29 ASP CA C 29 48.748 48.748 53.617 -4.869 25793 4273 1 11 . 1 1 29 29 ASP CB C 29 38.519 38.519 43.967 -5.448 25793 4274 1 11 . 1 1 29 29 ASP H H 29 7.515 7.515 8.352 -0.837 25793 4275 1 11 . 1 1 30 30 ALA N N 30 119.757 119.757 123.139 -3.382 25793 4276 1 11 . 1 1 30 30 ALA HA H 30 4.240 4.240 4.264 -0.024 25793 4277 1 11 . 1 1 30 30 ALA CA C 30 54.400 54.400 56.846 -2.446 25793 4278 1 11 . 1 1 30 30 ALA CB C 30 12.540 12.540 16.918 -4.378 25793 4279 1 11 . 1 1 30 30 ALA H H 30 8.492 8.492 8.617 -0.125 25793 4280 1 11 . 1 1 31 31 PRO HA H 31 4.361 4.361 4.324 0.037 25793 4281 1 11 . 1 1 31 31 PRO C C 31 175.699 175.699 178.787 -3.088 25793 4282 1 11 . 1 1 31 31 PRO CA C 31 63.220 63.220 65.384 -2.164 25793 4283 1 11 . 1 1 31 31 PRO CB C 31 28.336 28.336 31.685 -3.349 25793 4284 1 11 . 1 1 32 32 PHE N N 32 119.824 119.824 117.497 2.327 25793 4285 1 11 . 1 1 32 32 PHE HA H 32 3.885 3.885 4.325 -0.440 25793 4286 1 11 . 1 1 32 32 PHE C C 32 176.949 176.949 177.641 -0.692 25793 4287 1 11 . 1 1 32 32 PHE CA C 32 59.685 59.685 61.597 -1.913 25793 4288 1 11 . 1 1 32 32 PHE CB C 32 36.778 36.778 39.115 -2.337 25793 4289 1 11 . 1 1 32 32 PHE H H 32 7.949 7.949 8.132 -0.183 25793 4290 1 11 . 1 1 33 33 LEU N N 33 121.755 121.755 119.605 2.150 25793 4291 1 11 . 1 1 33 33 LEU HA H 33 4.063 4.063 3.984 0.079 25793 4292 1 11 . 1 1 33 33 LEU C C 33 176.490 176.490 178.460 -1.970 25793 4293 1 11 . 1 1 33 33 LEU CA C 33 54.968 54.968 58.296 -3.328 25793 4294 1 11 . 1 1 33 33 LEU CB C 33 38.335 38.335 41.858 -3.523 25793 4295 1 11 . 1 1 33 33 LEU H H 33 8.386 8.386 7.875 0.511 25793 4296 1 11 . 1 1 34 34 ASP N N 34 121.771 121.771 119.942 1.829 25793 4297 1 11 . 1 1 34 34 ASP HA H 34 4.399 4.399 4.319 0.080 25793 4298 1 11 . 1 1 34 34 ASP C C 34 176.196 176.196 178.676 -2.480 25793 4299 1 11 . 1 1 34 34 ASP CA C 34 54.871 54.871 58.360 -3.489 25793 4300 1 11 . 1 1 34 34 ASP CB C 34 38.471 38.471 40.772 -2.301 25793 4301 1 11 . 1 1 34 34 ASP H H 34 8.252 8.252 7.936 0.316 25793 4302 1 11 . 1 1 35 35 ARG N N 35 119.119 119.119 119.199 -0.080 25793 4303 1 11 . 1 1 35 35 ARG HA H 35 3.818 3.818 4.000 -0.182 25793 4304 1 11 . 1 1 35 35 ARG C C 35 175.752 175.752 178.773 -3.021 25793 4305 1 11 . 1 1 35 35 ARG CA C 35 57.302 57.302 59.153 -1.851 25793 4306 1 11 . 1 1 35 35 ARG CB C 35 27.486 27.486 30.324 -2.838 25793 4307 1 11 . 1 1 35 35 ARG H H 35 8.197 8.197 7.417 0.780 25793 4308 1 11 . 1 1 36 36 LEU N N 36 120.940 120.940 120.213 0.727 25793 4309 1 11 . 1 1 36 36 LEU HA H 36 3.872 3.872 4.001 -0.129 25793 4310 1 11 . 1 1 36 36 LEU C C 36 177.676 177.676 179.126 -1.450 25793 4311 1 11 . 1 1 36 36 LEU CA C 36 55.818 55.818 57.888 -2.070 25793 4312 1 11 . 1 1 36 36 LEU CB C 36 40.156 40.156 41.820 -1.664 25793 4313 1 11 . 1 1 36 36 LEU H H 36 7.735 7.735 7.990 -0.255 25793 4314 1 11 . 1 1 37 37 ARG N N 37 120.596 120.596 118.418 2.178 25793 4315 1 11 . 1 1 37 37 ARG HA H 37 4.241 4.241 4.015 0.226 25793 4316 1 11 . 1 1 37 37 ARG C C 37 174.571 174.571 178.897 -4.326 25793 4317 1 11 . 1 1 37 37 ARG CA C 37 56.891 56.891 59.950 -3.059 25793 4318 1 11 . 1 1 37 37 ARG CB C 37 27.936 27.936 30.098 -2.162 25793 4319 1 11 . 1 1 37 37 ARG H H 37 8.006 8.006 7.832 0.174 25793 4320 1 11 . 1 1 38 38 ARG N N 38 121.436 121.436 118.004 3.432 25793 4321 1 11 . 1 1 38 38 ARG HA H 38 3.987 3.987 4.056 -0.069 25793 4322 1 11 . 1 1 38 38 ARG C C 38 177.290 177.290 178.347 -1.057 25793 4323 1 11 . 1 1 38 38 ARG CA C 38 57.131 57.131 59.109 -1.978 25793 4324 1 11 . 1 1 38 38 ARG CB C 38 27.450 27.450 30.035 -2.585 25793 4325 1 11 . 1 1 38 38 ARG H H 38 8.307 8.307 7.604 0.703 25793 4326 1 11 . 1 1 39 39 ASP N N 39 120.034 120.034 117.952 2.082 25793 4327 1 11 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.636 -0.107 25793 4328 1 11 . 1 1 39 39 ASP C C 39 174.864 174.864 177.888 -3.024 25793 4329 1 11 . 1 1 39 39 ASP CA C 39 53.700 53.700 56.788 -3.088 25793 4330 1 11 . 1 1 39 39 ASP CB C 39 37.158 37.158 41.610 -4.452 25793 4331 1 11 . 1 1 39 39 ASP H H 39 8.737 8.737 7.669 1.068 25793 4332 1 11 . 1 1 40 40 GLN N N 40 121.853 121.853 120.821 1.032 25793 4333 1 11 . 1 1 40 40 GLN HA H 40 2.999 2.999 3.905 -0.906 25793 4334 1 11 . 1 1 40 40 GLN C C 40 175.010 175.010 177.769 -2.759 25793 4335 1 11 . 1 1 40 40 GLN CA C 40 56.747 56.747 59.309 -2.562 25793 4336 1 11 . 1 1 40 40 GLN CB C 40 25.196 25.196 28.733 -3.537 25793 4337 1 11 . 1 1 40 40 GLN H H 40 7.954 7.954 8.046 -0.092 25793 4338 1 11 . 1 1 41 41 LYS N N 41 117.346 117.346 118.910 -1.564 25793 4339 1 11 . 1 1 41 41 LYS HA H 41 3.914 3.914 4.054 -0.140 25793 4340 1 11 . 1 1 41 41 LYS C C 41 177.117 177.117 179.378 -2.261 25793 4341 1 11 . 1 1 41 41 LYS CA C 41 56.689 56.689 59.096 -2.406 25793 4342 1 11 . 1 1 41 41 LYS CB C 41 29.446 29.446 31.939 -2.493 25793 4343 1 11 . 1 1 41 41 LYS H H 41 7.014 7.014 7.632 -0.618 25793 4344 1 11 . 1 1 42 42 SER N N 42 115.844 115.844 116.049 -0.205 25793 4345 1 11 . 1 1 42 42 SER HA H 42 4.262 4.262 4.314 -0.052 25793 4346 1 11 . 1 1 42 42 SER C C 42 175.262 175.262 176.299 -1.037 25793 4347 1 11 . 1 1 42 42 SER CA C 42 58.256 58.256 60.781 -2.525 25793 4348 1 11 . 1 1 42 42 SER CB C 42 59.683 59.683 63.060 -3.377 25793 4349 1 11 . 1 1 42 42 SER H H 42 7.875 7.875 7.665 0.210 25793 4350 1 11 . 1 1 43 43 LEU N N 43 123.254 123.254 122.695 0.559 25793 4351 1 11 . 1 1 43 43 LEU HA H 43 4.082 4.082 4.216 -0.134 25793 4352 1 11 . 1 1 43 43 LEU C C 43 176.505 176.505 179.083 -2.578 25793 4353 1 11 . 1 1 43 43 LEU CA C 43 55.621 55.621 57.812 -2.191 25793 4354 1 11 . 1 1 43 43 LEU CB C 43 38.460 38.460 41.414 -2.954 25793 4355 1 11 . 1 1 43 43 LEU H H 43 8.736 8.736 8.301 0.435 25793 4356 1 11 . 1 1 44 44 ARG N N 44 118.877 118.877 117.685 1.192 25793 4357 1 11 . 1 1 44 44 ARG HA H 44 4.011 4.011 4.022 -0.011 25793 4358 1 11 . 1 1 44 44 ARG C C 44 177.379 177.379 179.109 -1.730 25793 4359 1 11 . 1 1 44 44 ARG CA C 44 56.911 56.911 59.535 -2.624 25793 4360 1 11 . 1 1 44 44 ARG CB C 44 26.602 26.602 30.034 -3.432 25793 4361 1 11 . 1 1 44 44 ARG H H 44 7.686 7.686 8.123 -0.437 25793 4362 1 11 . 1 1 45 45 GLY N N 45 107.372 107.372 106.140 1.232 25793 4363 1 11 . 1 1 45 45 GLY C C 45 173.935 173.935 175.767 -1.832 25793 4364 1 11 . 1 1 45 45 GLY CA C 45 44.395 44.395 46.327 -1.932 25793 4365 1 11 . 1 1 45 45 GLY H H 45 7.762 7.762 7.930 -0.168 25793 4366 1 11 . 1 1 46 46 ARG N N 46 123.780 123.780 122.055 1.725 25793 4367 1 11 . 1 1 46 46 ARG HA H 46 3.902 3.902 4.234 -0.332 25793 4368 1 11 . 1 1 46 46 ARG C C 46 175.910 175.910 178.351 -2.441 25793 4369 1 11 . 1 1 46 46 ARG CA C 46 56.375 56.375 58.318 -1.943 25793 4370 1 11 . 1 1 46 46 ARG CB C 46 28.851 28.851 30.245 -1.394 25793 4371 1 11 . 1 1 46 46 ARG H H 46 8.381 8.381 7.682 0.699 25793 4372 1 11 . 1 1 47 47 GLY N N 47 107.330 107.330 106.951 0.379 25793 4373 1 11 . 1 1 47 47 GLY C C 47 173.406 173.406 176.002 -2.596 25793 4374 1 11 . 1 1 47 47 GLY CA C 47 45.429 45.429 46.774 -1.345 25793 4375 1 11 . 1 1 47 47 GLY H H 47 8.782 8.782 7.836 0.946 25793 4376 1 11 . 1 1 48 48 SER N N 48 116.214 116.214 117.773 -1.559 25793 4377 1 11 . 1 1 48 48 SER HA H 48 4.200 4.200 4.145 0.055 25793 4378 1 11 . 1 1 48 48 SER C C 48 174.824 174.824 176.929 -2.105 25793 4379 1 11 . 1 1 48 48 SER CA C 48 58.531 58.531 61.630 -3.099 25793 4380 1 11 . 1 1 48 48 SER CB C 48 59.837 59.837 62.812 -2.975 25793 4381 1 11 . 1 1 48 48 SER H H 48 7.737 7.737 7.695 0.042 25793 4382 1 11 . 1 1 49 49 THR N N 49 118.158 118.158 118.179 -0.021 25793 4383 1 11 . 1 1 49 49 THR HA H 49 3.885 3.885 3.982 -0.097 25793 4384 1 11 . 1 1 49 49 THR C C 49 173.322 173.322 176.307 -2.985 25793 4385 1 11 . 1 1 49 49 THR CA C 49 63.385 63.385 65.028 -1.643 25793 4386 1 11 . 1 1 49 49 THR CB C 49 65.997 65.997 68.682 -2.685 25793 4387 1 11 . 1 1 49 49 THR H H 49 7.784 7.784 7.469 0.315 25793 4388 1 11 . 1 1 50 50 LEU N N 50 118.727 118.727 120.440 -1.713 25793 4389 1 11 . 1 1 50 50 LEU HA H 50 4.050 4.050 4.321 -0.271 25793 4390 1 11 . 1 1 50 50 LEU C C 50 174.153 174.153 177.600 -3.447 25793 4391 1 11 . 1 1 50 50 LEU CA C 50 52.580 52.580 54.866 -2.286 25793 4392 1 11 . 1 1 50 50 LEU CB C 50 39.994 39.994 42.358 -2.364 25793 4393 1 11 . 1 1 50 50 LEU H H 50 7.734 7.734 7.636 0.098 25793 4394 1 11 . 1 1 51 51 GLY N N 51 108.894 108.894 107.948 0.946 25793 4395 1 11 . 1 1 51 51 GLY C C 51 171.597 171.597 174.017 -2.420 25793 4396 1 11 . 1 1 51 51 GLY CA C 51 43.400 43.400 45.228 -1.828 25793 4397 1 11 . 1 1 51 51 GLY H H 51 7.698 7.698 7.766 -0.068 25793 4398 1 11 . 1 1 52 52 LEU N N 52 119.252 119.252 120.703 -1.451 25793 4399 1 11 . 1 1 52 52 LEU HA H 52 4.638 4.638 4.596 0.042 25793 4400 1 11 . 1 1 52 52 LEU C C 52 172.244 172.244 176.235 -3.991 25793 4401 1 11 . 1 1 52 52 LEU CA C 52 50.261 50.261 53.917 -3.656 25793 4402 1 11 . 1 1 52 52 LEU CB C 52 42.411 42.411 44.137 -1.726 25793 4403 1 11 . 1 1 52 52 LEU H H 52 7.661 7.661 7.667 -0.006 25793 4404 1 11 . 1 1 53 53 ASP N N 53 121.433 121.433 125.268 -3.835 25793 4405 1 11 . 1 1 53 53 ASP HA H 53 4.658 4.658 4.689 -0.031 25793 4406 1 11 . 1 1 53 53 ASP C C 53 174.204 174.204 177.167 -2.963 25793 4407 1 11 . 1 1 53 53 ASP CA C 53 50.435 50.435 55.049 -4.614 25793 4408 1 11 . 1 1 53 53 ASP CB C 53 40.206 40.206 42.112 -1.906 25793 4409 1 11 . 1 1 53 53 ASP H H 53 8.127 8.127 8.546 -0.419 25793 4410 1 11 . 1 1 54 54 ILE N N 54 125.804 125.804 126.777 -0.973 25793 4411 1 11 . 1 1 54 54 ILE HA H 54 3.797 3.797 3.712 0.085 25793 4412 1 11 . 1 1 54 54 ILE C C 54 176.613 176.613 177.202 -0.589 25793 4413 1 11 . 1 1 54 54 ILE CA C 54 62.133 62.133 64.395 -2.262 25793 4414 1 11 . 1 1 54 54 ILE CB C 54 35.036 35.036 38.598 -3.562 25793 4415 1 11 . 1 1 54 54 ILE H H 54 8.788 8.788 8.713 0.075 25793 4416 1 11 . 1 1 55 55 GLU N N 55 125.797 125.797 117.757 8.040 25793 4417 1 11 . 1 1 55 55 GLU HA H 55 4.009 4.009 3.970 0.039 25793 4418 1 11 . 1 1 55 55 GLU C C 55 176.730 176.730 178.604 -1.874 25793 4419 1 11 . 1 1 55 55 GLU CA C 55 57.998 57.998 59.891 -1.893 25793 4420 1 11 . 1 1 55 55 GLU CB C 55 25.895 25.895 29.000 -3.105 25793 4421 1 11 . 1 1 55 55 GLU H H 55 8.945 8.945 8.757 0.188 25793 4422 1 11 . 1 1 56 56 THR N N 56 117.286 117.286 113.253 4.033 25793 4423 1 11 . 1 1 56 56 THR HA H 56 3.817 3.817 4.135 -0.318 25793 4424 1 11 . 1 1 56 56 THR C C 56 174.617 174.617 175.948 -1.331 25793 4425 1 11 . 1 1 56 56 THR CA C 56 63.766 63.766 65.833 -2.067 25793 4426 1 11 . 1 1 56 56 THR CB C 56 65.452 65.452 68.407 -2.955 25793 4427 1 11 . 1 1 56 56 THR H H 56 8.240 8.240 7.775 0.465 25793 4428 1 11 . 1 1 57 57 ALA N N 57 125.072 125.072 124.701 0.371 25793 4429 1 11 . 1 1 57 57 ALA HA H 57 4.230 4.230 4.199 0.031 25793 4430 1 11 . 1 1 57 57 ALA C C 57 176.346 176.346 179.409 -3.063 25793 4431 1 11 . 1 1 57 57 ALA CA C 57 52.650 52.650 54.849 -2.199 25793 4432 1 11 . 1 1 57 57 ALA CB C 57 17.400 17.400 18.495 -1.095 25793 4433 1 11 . 1 1 57 57 ALA H H 57 8.121 8.121 7.907 0.214 25793 4434 1 11 . 1 1 58 58 THR N N 58 115.752 115.752 110.216 5.536 25793 4435 1 11 . 1 1 58 58 THR HA H 58 3.632 3.632 4.166 -0.534 25793 4436 1 11 . 1 1 58 58 THR C C 58 172.862 172.862 176.110 -3.248 25793 4437 1 11 . 1 1 58 58 THR CA C 58 65.100 65.100 65.705 -0.605 25793 4438 1 11 . 1 1 58 58 THR CB C 58 66.100 66.100 68.636 -2.536 25793 4439 1 11 . 1 1 58 58 THR H H 58 8.381 8.381 8.351 0.030 25793 4440 1 11 . 1 1 59 59 ARG N N 59 120.537 120.537 121.316 -0.779 25793 4441 1 11 . 1 1 59 59 ARG HA H 59 3.911 3.911 4.268 -0.357 25793 4442 1 11 . 1 1 59 59 ARG C C 59 176.099 176.099 178.002 -1.903 25793 4443 1 11 . 1 1 59 59 ARG CA C 59 56.616 56.616 58.708 -2.091 25793 4444 1 11 . 1 1 59 59 ARG CB C 59 27.022 27.022 30.506 -3.484 25793 4445 1 11 . 1 1 59 59 ARG H H 59 7.245 7.245 7.353 -0.108 25793 4446 1 11 . 1 1 60 60 ALA N N 60 121.996 121.996 122.201 -0.205 25793 4447 1 11 . 1 1 60 60 ALA HA H 60 4.120 4.120 4.154 -0.034 25793 4448 1 11 . 1 1 60 60 ALA C C 60 178.745 178.745 179.676 -0.931 25793 4449 1 11 . 1 1 60 60 ALA CA C 60 52.000 52.000 55.005 -3.005 25793 4450 1 11 . 1 1 60 60 ALA CB C 60 15.824 15.824 18.403 -2.579 25793 4451 1 11 . 1 1 60 60 ALA H H 60 7.489 7.489 8.289 -0.800 25793 4452 1 11 . 1 1 61 61 GLY N N 61 108.024 108.024 104.896 3.128 25793 4453 1 11 . 1 1 61 61 GLY C C 61 171.515 171.515 175.399 -3.884 25793 4454 1 11 . 1 1 61 61 GLY CA C 61 43.797 43.797 46.174 -2.377 25793 4455 1 11 . 1 1 61 61 GLY H H 61 8.721 8.721 8.252 0.469 25793 4456 1 11 . 1 1 62 62 LYS N N 62 123.393 123.393 121.942 1.451 25793 4457 1 11 . 1 1 62 62 LYS HA H 62 1.780 1.780 2.529 -0.749 25793 4458 1 11 . 1 1 62 62 LYS C C 62 174.612 174.612 178.323 -3.711 25793 4459 1 11 . 1 1 62 62 LYS CA C 62 56.683 56.683 59.201 -2.518 25793 4460 1 11 . 1 1 62 62 LYS CB C 62 29.920 29.920 32.011 -2.091 25793 4461 1 11 . 1 1 62 62 LYS H H 62 7.683 7.683 7.443 0.240 25793 4462 1 11 . 1 1 63 63 GLN N N 63 114.582 114.582 116.285 -1.703 25793 4463 1 11 . 1 1 63 63 GLN HA H 63 3.920 3.920 3.980 -0.060 25793 4464 1 11 . 1 1 63 63 GLN C C 63 176.294 176.294 178.377 -2.083 25793 4465 1 11 . 1 1 63 63 GLN CA C 63 55.604 55.604 58.295 -2.691 25793 4466 1 11 . 1 1 63 63 GLN CB C 63 25.557 25.557 28.748 -3.191 25793 4467 1 11 . 1 1 63 63 GLN H H 63 6.637 6.637 7.368 -0.731 25793 4468 1 11 . 1 1 64 64 ILE N N 64 119.051 119.051 119.544 -0.493 25793 4469 1 11 . 1 1 64 64 ILE HA H 64 3.571 3.571 3.639 -0.068 25793 4470 1 11 . 1 1 64 64 ILE C C 64 175.402 175.402 178.141 -2.739 25793 4471 1 11 . 1 1 64 64 ILE CA C 64 62.529 62.529 65.177 -2.648 25793 4472 1 11 . 1 1 64 64 ILE CB C 64 36.198 36.198 37.875 -1.677 25793 4473 1 11 . 1 1 64 64 ILE H H 64 7.092 7.092 7.113 -0.021 25793 4474 1 11 . 1 1 65 65 VAL N N 65 118.800 118.800 119.811 -1.011 25793 4475 1 11 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.486 -0.100 25793 4476 1 11 . 1 1 65 65 VAL C C 65 174.546 174.546 177.586 -3.040 25793 4477 1 11 . 1 1 65 65 VAL CA C 65 64.500 64.500 67.249 -2.749 25793 4478 1 11 . 1 1 65 65 VAL CB C 65 28.300 28.300 31.367 -3.067 25793 4479 1 11 . 1 1 65 65 VAL H H 65 8.103 8.103 7.874 0.229 25793 4480 1 11 . 1 1 66 66 GLU N N 66 118.966 118.966 118.837 0.129 25793 4481 1 11 . 1 1 66 66 GLU HA H 66 3.810 3.810 3.909 -0.099 25793 4482 1 11 . 1 1 66 66 GLU C C 66 176.292 176.292 179.276 -2.984 25793 4483 1 11 . 1 1 66 66 GLU CA C 66 57.618 57.618 59.426 -1.808 25793 4484 1 11 . 1 1 66 66 GLU CB C 66 26.391 26.391 29.312 -2.921 25793 4485 1 11 . 1 1 66 66 GLU H H 66 8.654 8.654 7.478 1.176 25793 4486 1 11 . 1 1 67 67 ARG N N 67 118.499 118.499 118.232 0.267 25793 4487 1 11 . 1 1 67 67 ARG HA H 67 3.990 3.990 4.029 -0.039 25793 4488 1 11 . 1 1 67 67 ARG C C 67 176.039 176.039 179.208 -3.169 25793 4489 1 11 . 1 1 67 67 ARG CA C 67 56.996 56.996 58.824 -1.828 25793 4490 1 11 . 1 1 67 67 ARG CB C 67 26.783 26.783 30.135 -3.352 25793 4491 1 11 . 1 1 67 67 ARG H H 67 7.270 7.270 7.868 -0.598 25793 4492 1 11 . 1 1 68 68 ILE N N 68 120.031 120.031 113.873 6.158 25793 4493 1 11 . 1 1 68 68 ILE HA H 68 3.721 3.721 4.094 -0.373 25793 4494 1 11 . 1 1 68 68 ILE C C 68 176.061 176.061 176.387 -0.326 25793 4495 1 11 . 1 1 68 68 ILE CA C 68 61.970 61.970 63.491 -1.521 25793 4496 1 11 . 1 1 68 68 ILE CB C 68 35.254 35.254 37.681 -2.427 25793 4497 1 11 . 1 1 68 68 ILE H H 68 7.569 7.569 7.929 -0.360 25793 4498 1 11 . 1 1 69 69 LEU N N 69 118.859 118.859 118.160 0.699 25793 4499 1 11 . 1 1 69 69 LEU HA H 69 4.127 4.127 4.435 -0.308 25793 4500 1 11 . 1 1 69 69 LEU C C 69 176.859 176.859 178.711 -1.852 25793 4501 1 11 . 1 1 69 69 LEU CA C 69 54.525 54.525 56.530 -2.005 25793 4502 1 11 . 1 1 69 69 LEU CB C 69 38.150 38.150 42.819 -4.669 25793 4503 1 11 . 1 1 69 69 LEU H H 69 8.305 8.305 7.325 0.980 25793 4504 1 11 . 1 1 70 70 LYS N N 70 119.685 119.685 119.028 0.657 25793 4505 1 11 . 1 1 70 70 LYS HA H 70 4.098 4.098 4.138 -0.040 25793 4506 1 11 . 1 1 70 70 LYS C C 70 175.484 175.484 178.102 -2.618 25793 4507 1 11 . 1 1 70 70 LYS CA C 70 55.580 55.580 58.462 -2.882 25793 4508 1 11 . 1 1 70 70 LYS CB C 70 29.700 29.700 32.115 -2.415 25793 4509 1 11 . 1 1 70 70 LYS H H 70 7.748 7.748 7.361 0.387 25793 4510 1 11 . 1 1 71 71 GLU N N 71 118.055 118.055 117.994 0.061 25793 4511 1 11 . 1 1 71 71 GLU HA H 71 4.175 4.175 4.344 -0.169 25793 4512 1 11 . 1 1 71 71 GLU C C 71 174.094 174.094 176.751 -2.657 25793 4513 1 11 . 1 1 71 71 GLU CA C 71 54.411 54.411 57.404 -2.993 25793 4514 1 11 . 1 1 71 71 GLU CB C 71 27.038 27.038 29.327 -2.289 25793 4515 1 11 . 1 1 71 71 GLU H H 71 7.644 7.644 8.232 -0.588 25793 4516 1 11 . 1 1 72 72 GLU N N 72 118.922 118.922 118.176 0.746 25793 4517 1 11 . 1 1 72 72 GLU HA H 72 4.164 4.164 4.364 -0.200 25793 4518 1 11 . 1 1 72 72 GLU C C 72 172.677 172.677 176.728 -4.051 25793 4519 1 11 . 1 1 72 72 GLU CA C 72 53.047 53.047 57.272 -4.225 25793 4520 1 11 . 1 1 72 72 GLU CB C 72 25.297 25.297 30.563 -5.266 25793 4521 1 11 . 1 1 72 72 GLU H H 72 7.603 7.603 8.357 -0.754 25793 4522 1 12 . 1 1 2 2 ASP HA H 2 4.703 4.703 4.877 -0.174 25793 4523 1 12 . 1 1 2 2 ASP C C 2 173.678 173.678 175.673 -1.995 25793 4524 1 12 . 1 1 2 2 ASP CA C 2 51.357 51.357 54.113 -2.756 25793 4525 1 12 . 1 1 2 2 ASP CB C 2 39.114 39.114 41.831 -2.717 25793 4526 1 12 . 1 1 3 3 SER N N 3 118.993 118.993 118.470 0.523 25793 4527 1 12 . 1 1 3 3 SER HA H 3 4.237 4.237 4.532 -0.295 25793 4528 1 12 . 1 1 3 3 SER C C 3 173.240 173.240 175.119 -1.879 25793 4529 1 12 . 1 1 3 3 SER CA C 3 57.300 57.300 59.537 -2.237 25793 4530 1 12 . 1 1 3 3 SER CB C 3 60.653 60.653 64.702 -4.049 25793 4531 1 12 . 1 1 3 3 SER H H 3 8.745 8.745 8.728 0.017 25793 4532 1 12 . 1 1 4 4 ASN N N 4 122.369 122.369 119.958 2.411 25793 4533 1 12 . 1 1 4 4 ASN HA H 4 4.576 4.576 4.834 -0.258 25793 4534 1 12 . 1 1 4 4 ASN C C 4 176.101 176.101 176.478 -0.377 25793 4535 1 12 . 1 1 4 4 ASN CA C 4 52.488 52.488 55.256 -2.768 25793 4536 1 12 . 1 1 4 4 ASN CB C 4 33.507 33.507 38.943 -5.436 25793 4537 1 12 . 1 1 4 4 ASN H H 4 8.865 8.865 8.780 0.085 25793 4538 1 12 . 1 1 5 5 THR N N 5 122.349 122.349 114.732 7.617 25793 4539 1 12 . 1 1 5 5 THR HA H 5 4.330 4.330 4.317 0.013 25793 4540 1 12 . 1 1 5 5 THR C C 5 174.576 174.576 175.439 -0.863 25793 4541 1 12 . 1 1 5 5 THR CA C 5 63.330 63.330 63.800 -0.470 25793 4542 1 12 . 1 1 5 5 THR CB C 5 66.155 66.155 69.103 -2.948 25793 4543 1 12 . 1 1 5 5 THR H H 5 8.200 8.200 7.991 0.209 25793 4544 1 12 . 1 1 6 6 VAL N N 6 124.255 124.255 120.684 3.571 25793 4545 1 12 . 1 1 6 6 VAL HA H 6 3.480 3.480 4.075 -0.595 25793 4546 1 12 . 1 1 6 6 VAL C C 6 174.988 174.988 177.591 -2.603 25793 4547 1 12 . 1 1 6 6 VAL CA C 6 64.919 64.919 64.677 0.242 25793 4548 1 12 . 1 1 6 6 VAL CB C 6 28.699 28.699 31.896 -3.197 25793 4549 1 12 . 1 1 6 6 VAL H H 6 7.590 7.590 7.726 -0.136 25793 4550 1 12 . 1 1 7 7 SER N N 7 116.402 116.402 116.478 -0.076 25793 4551 1 12 . 1 1 7 7 SER HA H 7 4.459 4.459 4.313 0.146 25793 4552 1 12 . 1 1 7 7 SER C C 7 173.494 173.494 176.715 -3.221 25793 4553 1 12 . 1 1 7 7 SER CA C 7 59.174 59.174 61.810 -2.636 25793 4554 1 12 . 1 1 7 7 SER CB C 7 60.020 60.020 62.564 -2.544 25793 4555 1 12 . 1 1 7 7 SER H H 7 8.721 8.721 7.869 0.852 25793 4556 1 12 . 1 1 8 8 SER N N 8 116.463 116.463 117.090 -0.627 25793 4557 1 12 . 1 1 8 8 SER HA H 8 3.745 3.745 4.331 -0.586 25793 4558 1 12 . 1 1 8 8 SER C C 8 171.540 171.540 175.937 -4.397 25793 4559 1 12 . 1 1 8 8 SER CA C 8 60.322 60.322 61.479 -1.157 25793 4560 1 12 . 1 1 8 8 SER CB C 8 60.785 60.785 63.283 -2.498 25793 4561 1 12 . 1 1 8 8 SER H H 8 8.213 8.213 7.761 0.452 25793 4562 1 12 . 1 1 9 9 PHE N N 9 121.530 121.530 123.506 -1.976 25793 4563 1 12 . 1 1 9 9 PHE HA H 9 4.405 4.405 4.499 -0.094 25793 4564 1 12 . 1 1 9 9 PHE C C 9 174.481 174.481 176.609 -2.128 25793 4565 1 12 . 1 1 9 9 PHE CA C 9 58.488 58.488 60.404 -1.916 25793 4566 1 12 . 1 1 9 9 PHE CB C 9 36.397 36.397 39.656 -3.259 25793 4567 1 12 . 1 1 9 9 PHE H H 9 7.387 7.387 7.381 0.006 25793 4568 1 12 . 1 1 10 10 GLN N N 10 119.460 119.460 118.914 0.546 25793 4569 1 12 . 1 1 10 10 GLN HA H 10 3.516 3.516 3.855 -0.339 25793 4570 1 12 . 1 1 10 10 GLN C C 10 176.083 176.083 178.699 -2.616 25793 4571 1 12 . 1 1 10 10 GLN CA C 10 56.595 56.595 59.256 -2.661 25793 4572 1 12 . 1 1 10 10 GLN CB C 10 23.672 23.672 28.849 -5.177 25793 4573 1 12 . 1 1 10 10 GLN H H 10 8.335 8.335 8.419 -0.084 25793 4574 1 12 . 1 1 11 11 VAL N N 11 119.513 119.513 119.519 -0.006 25793 4575 1 12 . 1 1 11 11 VAL HA H 11 3.300 3.300 3.804 -0.503 25793 4576 1 12 . 1 1 11 11 VAL C C 11 174.535 174.535 177.407 -2.872 25793 4577 1 12 . 1 1 11 11 VAL CA C 11 65.180 65.180 65.370 -0.190 25793 4578 1 12 . 1 1 11 11 VAL CB C 11 28.300 28.300 31.207 -2.907 25793 4579 1 12 . 1 1 11 11 VAL H H 11 8.127 8.127 8.013 0.114 25793 4580 1 12 . 1 1 12 12 ASP N N 12 120.959 120.959 120.760 0.199 25793 4581 1 12 . 1 1 12 12 ASP HA H 12 4.414 4.414 4.443 -0.029 25793 4582 1 12 . 1 1 12 12 ASP C C 12 177.940 177.940 178.626 -0.686 25793 4583 1 12 . 1 1 12 12 ASP CA C 12 55.349 55.349 57.759 -2.410 25793 4584 1 12 . 1 1 12 12 ASP CB C 12 37.275 37.275 40.627 -3.352 25793 4585 1 12 . 1 1 12 12 ASP H H 12 8.116 8.116 7.688 0.428 25793 4586 1 12 . 1 1 13 13 CYS N N 13 119.479 119.479 118.177 1.302 25793 4587 1 12 . 1 1 13 13 CYS HA H 13 4.015 4.015 4.167 -0.152 25793 4588 1 12 . 1 1 13 13 CYS C C 13 175.349 175.349 176.853 -1.504 25793 4589 1 12 . 1 1 13 13 CYS CA C 13 62.384 62.384 63.121 -0.737 25793 4590 1 12 . 1 1 13 13 CYS CB C 13 23.610 23.610 26.572 -2.962 25793 4591 1 12 . 1 1 13 13 CYS H H 13 8.448 8.448 7.898 0.550 25793 4592 1 12 . 1 1 14 14 PHE N N 14 121.085 121.085 121.975 -0.890 25793 4593 1 12 . 1 1 14 14 PHE HA H 14 4.460 4.460 4.289 0.171 25793 4594 1 12 . 1 1 14 14 PHE C C 14 174.143 174.143 177.290 -3.147 25793 4595 1 12 . 1 1 14 14 PHE CA C 14 59.902 59.902 61.250 -1.348 25793 4596 1 12 . 1 1 14 14 PHE CB C 14 35.907 35.907 38.817 -2.910 25793 4597 1 12 . 1 1 14 14 PHE H H 14 8.244 8.244 7.498 0.746 25793 4598 1 12 . 1 1 15 15 LEU N N 15 118.069 118.069 119.326 -1.257 25793 4599 1 12 . 1 1 15 15 LEU HA H 15 3.735 3.735 3.724 0.011 25793 4600 1 12 . 1 1 15 15 LEU C C 15 176.261 176.261 178.748 -2.487 25793 4601 1 12 . 1 1 15 15 LEU CA C 15 55.494 55.494 58.837 -3.343 25793 4602 1 12 . 1 1 15 15 LEU CB C 15 36.676 36.676 41.623 -4.947 25793 4603 1 12 . 1 1 15 15 LEU H H 15 9.072 9.072 8.152 0.920 25793 4604 1 12 . 1 1 16 16 TRP N N 16 120.587 120.587 120.536 0.051 25793 4605 1 12 . 1 1 16 16 TRP HA H 16 3.660 3.660 4.223 -0.563 25793 4606 1 12 . 1 1 16 16 TRP C C 16 173.925 173.925 177.825 -3.900 25793 4607 1 12 . 1 1 16 16 TRP CA C 16 61.127 61.127 61.714 -0.587 25793 4608 1 12 . 1 1 16 16 TRP CB C 16 26.247 26.247 29.419 -3.172 25793 4609 1 12 . 1 1 16 16 TRP H H 16 8.142 8.142 8.579 -0.437 25793 4610 1 12 . 1 1 17 17 HIS N N 17 117.927 117.927 118.193 -0.266 25793 4611 1 12 . 1 1 17 17 HIS HA H 17 4.022 4.022 3.988 0.034 25793 4612 1 12 . 1 1 17 17 HIS C C 17 173.650 173.650 176.749 -3.099 25793 4613 1 12 . 1 1 17 17 HIS CA C 17 57.350 57.350 59.298 -1.948 25793 4614 1 12 . 1 1 17 17 HIS CB C 17 25.231 25.231 29.803 -4.572 25793 4615 1 12 . 1 1 17 17 HIS H H 17 7.697 7.697 7.667 0.030 25793 4616 1 12 . 1 1 18 18 VAL N N 18 118.787 118.787 118.539 0.248 25793 4617 1 12 . 1 1 18 18 VAL HA H 18 2.949 2.949 3.530 -0.581 25793 4618 1 12 . 1 1 18 18 VAL C C 18 174.321 174.321 177.492 -3.171 25793 4619 1 12 . 1 1 18 18 VAL CA C 18 64.400 64.400 65.353 -0.953 25793 4620 1 12 . 1 1 18 18 VAL CB C 18 28.400 28.400 31.428 -3.028 25793 4621 1 12 . 1 1 18 18 VAL H H 18 7.651 7.651 7.441 0.210 25793 4622 1 12 . 1 1 19 19 ARG N N 19 118.108 118.108 118.584 -0.476 25793 4623 1 12 . 1 1 19 19 ARG HA H 19 3.661 3.661 4.209 -0.548 25793 4624 1 12 . 1 1 19 19 ARG C C 19 174.575 174.575 178.227 -3.652 25793 4625 1 12 . 1 1 19 19 ARG CA C 19 57.558 57.558 58.984 -1.427 25793 4626 1 12 . 1 1 19 19 ARG CB C 19 28.140 28.140 30.322 -2.182 25793 4627 1 12 . 1 1 19 19 ARG H H 19 7.602 7.602 7.470 0.132 25793 4628 1 12 . 1 1 20 20 LYS N N 20 121.889 121.889 119.299 2.590 25793 4629 1 12 . 1 1 20 20 LYS HA H 20 3.530 3.530 4.006 -0.476 25793 4630 1 12 . 1 1 20 20 LYS C C 20 174.970 174.970 178.624 -3.654 25793 4631 1 12 . 1 1 20 20 LYS CA C 20 55.292 55.292 57.729 -2.437 25793 4632 1 12 . 1 1 20 20 LYS CB C 20 28.420 28.420 31.765 -3.345 25793 4633 1 12 . 1 1 20 20 LYS H H 20 8.304 8.304 7.912 0.392 25793 4634 1 12 . 1 1 21 21 ARG N N 21 118.825 118.825 118.447 0.378 25793 4635 1 12 . 1 1 21 21 ARG HA H 21 3.915 3.915 4.053 -0.138 25793 4636 1 12 . 1 1 21 21 ARG C C 21 176.513 176.513 177.181 -0.668 25793 4637 1 12 . 1 1 21 21 ARG CA C 21 55.003 55.003 57.825 -2.822 25793 4638 1 12 . 1 1 21 21 ARG CB C 21 26.002 26.002 29.670 -3.668 25793 4639 1 12 . 1 1 21 21 ARG H H 21 7.772 7.772 7.359 0.413 25793 4640 1 12 . 1 1 22 22 PHE N N 22 120.501 120.501 119.379 1.122 25793 4641 1 12 . 1 1 22 22 PHE HA H 22 3.899 3.899 4.327 -0.428 25793 4642 1 12 . 1 1 22 22 PHE C C 22 173.880 173.880 176.006 -2.126 25793 4643 1 12 . 1 1 22 22 PHE CA C 22 58.542 58.542 60.468 -1.926 25793 4644 1 12 . 1 1 22 22 PHE CB C 22 35.961 35.961 39.313 -3.352 25793 4645 1 12 . 1 1 22 22 PHE H H 22 7.799 7.799 7.393 0.406 25793 4646 1 12 . 1 1 23 23 ALA N N 23 123.040 123.040 121.716 1.324 25793 4647 1 12 . 1 1 23 23 ALA HA H 23 3.720 3.720 4.094 -0.374 25793 4648 1 12 . 1 1 23 23 ALA C C 23 179.545 179.545 179.757 -0.212 25793 4649 1 12 . 1 1 23 23 ALA CA C 23 51.750 51.750 54.939 -3.189 25793 4650 1 12 . 1 1 23 23 ALA CB C 23 15.970 15.970 18.364 -2.394 25793 4651 1 12 . 1 1 23 23 ALA H H 23 8.627 8.627 8.195 0.432 25793 4652 1 12 . 1 1 24 24 ASP N N 24 121.514 121.514 116.757 4.757 25793 4653 1 12 . 1 1 24 24 ASP HA H 24 4.323 4.323 4.538 -0.215 25793 4654 1 12 . 1 1 24 24 ASP C C 24 175.020 175.020 177.332 -2.312 25793 4655 1 12 . 1 1 24 24 ASP CA C 24 53.645 53.645 56.299 -2.654 25793 4656 1 12 . 1 1 24 24 ASP CB C 24 37.158 37.158 40.795 -3.637 25793 4657 1 12 . 1 1 24 24 ASP H H 24 8.846 8.846 7.877 0.969 25793 4658 1 12 . 1 1 25 25 GLN N N 25 118.127 118.127 117.027 1.100 25793 4659 1 12 . 1 1 25 25 GLN HA H 25 4.159 4.159 4.330 -0.171 25793 4660 1 12 . 1 1 25 25 GLN C C 25 171.680 171.680 175.712 -4.032 25793 4661 1 12 . 1 1 25 25 GLN CA C 25 53.101 53.101 55.215 -2.114 25793 4662 1 12 . 1 1 25 25 GLN CB C 25 25.351 25.351 29.652 -4.301 25793 4663 1 12 . 1 1 25 25 GLN H H 25 7.192 7.192 7.376 -0.184 25793 4664 1 12 . 1 1 26 26 GLU N N 26 112.361 112.361 117.597 -5.236 25793 4665 1 12 . 1 1 26 26 GLU HA H 26 3.906 3.906 3.947 -0.041 25793 4666 1 12 . 1 1 26 26 GLU C C 26 173.060 173.060 175.130 -2.070 25793 4667 1 12 . 1 1 26 26 GLU CA C 26 54.352 54.352 56.630 -2.278 25793 4668 1 12 . 1 1 26 26 GLU CB C 26 22.759 22.759 28.009 -5.250 25793 4669 1 12 . 1 1 26 26 GLU H H 26 7.975 7.975 7.769 0.206 25793 4670 1 12 . 1 1 27 27 LEU N N 27 115.873 115.873 121.219 -5.346 25793 4671 1 12 . 1 1 27 27 LEU HA H 27 4.043 4.043 4.121 -0.078 25793 4672 1 12 . 1 1 27 27 LEU C C 27 172.610 172.610 176.312 -3.702 25793 4673 1 12 . 1 1 27 27 LEU CA C 27 50.921 50.921 54.420 -3.499 25793 4674 1 12 . 1 1 27 27 LEU CB C 27 40.359 40.359 40.974 -0.615 25793 4675 1 12 . 1 1 27 27 LEU H H 27 5.781 5.781 7.423 -1.642 25793 4676 1 12 . 1 1 28 28 GLY N N 28 103.011 103.011 112.734 -9.723 25793 4677 1 12 . 1 1 28 28 GLY C C 28 172.297 172.297 173.192 -0.895 25793 4678 1 12 . 1 1 28 28 GLY CA C 28 41.348 41.348 44.108 -2.760 25793 4679 1 12 . 1 1 28 28 GLY H H 28 7.785 7.785 8.142 -0.357 25793 4680 1 12 . 1 1 29 29 ASP N N 29 122.671 122.671 119.494 3.177 25793 4681 1 12 . 1 1 29 29 ASP HA H 29 4.720 4.720 4.796 -0.076 25793 4682 1 12 . 1 1 29 29 ASP C C 29 172.137 172.137 177.908 -5.771 25793 4683 1 12 . 1 1 29 29 ASP CA C 29 48.748 48.748 53.397 -4.649 25793 4684 1 12 . 1 1 29 29 ASP CB C 29 38.519 38.519 41.776 -3.257 25793 4685 1 12 . 1 1 29 29 ASP H H 29 7.515 7.515 8.330 -0.815 25793 4686 1 12 . 1 1 30 30 ALA N N 30 119.757 119.757 123.179 -3.422 25793 4687 1 12 . 1 1 30 30 ALA HA H 30 4.240 4.240 4.255 -0.015 25793 4688 1 12 . 1 1 30 30 ALA CA C 30 54.400 54.400 55.127 -0.727 25793 4689 1 12 . 1 1 30 30 ALA CB C 30 12.540 12.540 16.889 -4.349 25793 4690 1 12 . 1 1 30 30 ALA H H 30 8.492 8.492 8.564 -0.072 25793 4691 1 12 . 1 1 31 31 PRO HA H 31 4.361 4.361 4.528 -0.167 25793 4692 1 12 . 1 1 31 31 PRO C C 31 175.699 175.699 177.953 -2.254 25793 4693 1 12 . 1 1 31 31 PRO CA C 31 63.220 63.220 64.480 -1.260 25793 4694 1 12 . 1 1 31 31 PRO CB C 31 28.336 28.336 31.364 -3.029 25793 4695 1 12 . 1 1 32 32 PHE N N 32 119.824 119.824 118.379 1.445 25793 4696 1 12 . 1 1 32 32 PHE HA H 32 3.885 3.885 4.309 -0.424 25793 4697 1 12 . 1 1 32 32 PHE C C 32 176.949 176.949 177.151 -0.202 25793 4698 1 12 . 1 1 32 32 PHE CA C 32 59.685 59.685 61.724 -2.039 25793 4699 1 12 . 1 1 32 32 PHE CB C 32 36.778 36.778 39.406 -2.628 25793 4700 1 12 . 1 1 32 32 PHE H H 32 7.949 7.949 7.691 0.258 25793 4701 1 12 . 1 1 33 33 LEU N N 33 121.755 121.755 119.561 2.194 25793 4702 1 12 . 1 1 33 33 LEU HA H 33 4.063 4.063 4.003 0.060 25793 4703 1 12 . 1 1 33 33 LEU C C 33 176.490 176.490 178.279 -1.789 25793 4704 1 12 . 1 1 33 33 LEU CA C 33 54.968 54.968 57.915 -2.947 25793 4705 1 12 . 1 1 33 33 LEU CB C 33 38.335 38.335 41.876 -3.541 25793 4706 1 12 . 1 1 33 33 LEU H H 33 8.386 8.386 7.706 0.680 25793 4707 1 12 . 1 1 34 34 ASP N N 34 121.771 121.771 120.058 1.713 25793 4708 1 12 . 1 1 34 34 ASP HA H 34 4.399 4.399 4.338 0.061 25793 4709 1 12 . 1 1 34 34 ASP C C 34 176.196 176.196 178.824 -2.628 25793 4710 1 12 . 1 1 34 34 ASP CA C 34 54.871 54.871 58.218 -3.347 25793 4711 1 12 . 1 1 34 34 ASP CB C 34 38.471 38.471 40.688 -2.217 25793 4712 1 12 . 1 1 34 34 ASP H H 34 8.252 8.252 7.587 0.665 25793 4713 1 12 . 1 1 35 35 ARG N N 35 119.119 119.119 119.433 -0.314 25793 4714 1 12 . 1 1 35 35 ARG HA H 35 3.818 3.818 3.936 -0.118 25793 4715 1 12 . 1 1 35 35 ARG C C 35 175.752 175.752 178.541 -2.789 25793 4716 1 12 . 1 1 35 35 ARG CA C 35 57.302 57.302 59.110 -1.808 25793 4717 1 12 . 1 1 35 35 ARG CB C 35 27.486 27.486 30.230 -2.744 25793 4718 1 12 . 1 1 35 35 ARG H H 35 8.197 8.197 7.755 0.442 25793 4719 1 12 . 1 1 36 36 LEU N N 36 120.940 120.940 119.849 1.091 25793 4720 1 12 . 1 1 36 36 LEU HA H 36 3.872 3.872 4.040 -0.168 25793 4721 1 12 . 1 1 36 36 LEU C C 36 177.676 177.676 179.060 -1.384 25793 4722 1 12 . 1 1 36 36 LEU CA C 36 55.818 55.818 57.993 -2.175 25793 4723 1 12 . 1 1 36 36 LEU CB C 36 40.156 40.156 41.458 -1.302 25793 4724 1 12 . 1 1 36 36 LEU H H 36 7.735 7.735 7.912 -0.177 25793 4725 1 12 . 1 1 37 37 ARG N N 37 120.596 120.596 117.827 2.769 25793 4726 1 12 . 1 1 37 37 ARG HA H 37 4.241 4.241 4.016 0.225 25793 4727 1 12 . 1 1 37 37 ARG C C 37 174.571 174.571 178.853 -4.282 25793 4728 1 12 . 1 1 37 37 ARG CA C 37 56.891 56.891 59.636 -2.745 25793 4729 1 12 . 1 1 37 37 ARG CB C 37 27.936 27.936 29.848 -1.912 25793 4730 1 12 . 1 1 37 37 ARG H H 37 8.006 8.006 7.661 0.345 25793 4731 1 12 . 1 1 38 38 ARG N N 38 121.436 121.436 118.453 2.983 25793 4732 1 12 . 1 1 38 38 ARG HA H 38 3.987 3.987 4.079 -0.092 25793 4733 1 12 . 1 1 38 38 ARG C C 38 177.290 177.290 178.000 -0.710 25793 4734 1 12 . 1 1 38 38 ARG CA C 38 57.131 57.131 59.114 -1.983 25793 4735 1 12 . 1 1 38 38 ARG CB C 38 27.450 27.450 30.134 -2.684 25793 4736 1 12 . 1 1 38 38 ARG H H 38 8.307 8.307 7.554 0.753 25793 4737 1 12 . 1 1 39 39 ASP N N 39 120.034 120.034 117.887 2.147 25793 4738 1 12 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.681 -0.152 25793 4739 1 12 . 1 1 39 39 ASP C C 39 174.864 174.864 178.232 -3.368 25793 4740 1 12 . 1 1 39 39 ASP CA C 39 53.700 53.700 56.503 -2.803 25793 4741 1 12 . 1 1 39 39 ASP CB C 39 37.158 37.158 41.728 -4.570 25793 4742 1 12 . 1 1 39 39 ASP H H 39 8.737 8.737 7.636 1.101 25793 4743 1 12 . 1 1 40 40 GLN N N 40 121.853 121.853 120.148 1.705 25793 4744 1 12 . 1 1 40 40 GLN HA H 40 2.999 2.999 3.974 -0.975 25793 4745 1 12 . 1 1 40 40 GLN C C 40 175.010 175.010 178.252 -3.242 25793 4746 1 12 . 1 1 40 40 GLN CA C 40 56.747 56.747 59.304 -2.557 25793 4747 1 12 . 1 1 40 40 GLN CB C 40 25.196 25.196 28.968 -3.772 25793 4748 1 12 . 1 1 40 40 GLN H H 40 7.954 7.954 8.332 -0.378 25793 4749 1 12 . 1 1 41 41 LYS N N 41 117.346 117.346 119.332 -1.986 25793 4750 1 12 . 1 1 41 41 LYS HA H 41 3.914 3.914 4.077 -0.163 25793 4751 1 12 . 1 1 41 41 LYS C C 41 177.117 177.117 179.227 -2.110 25793 4752 1 12 . 1 1 41 41 LYS CA C 41 56.689 56.689 59.225 -2.536 25793 4753 1 12 . 1 1 41 41 LYS CB C 41 29.446 29.446 32.104 -2.658 25793 4754 1 12 . 1 1 41 41 LYS H H 41 7.014 7.014 7.573 -0.559 25793 4755 1 12 . 1 1 42 42 SER N N 42 115.844 115.844 116.147 -0.303 25793 4756 1 12 . 1 1 42 42 SER HA H 42 4.262 4.262 4.326 -0.064 25793 4757 1 12 . 1 1 42 42 SER C C 42 175.262 175.262 176.333 -1.071 25793 4758 1 12 . 1 1 42 42 SER CA C 42 58.256 58.256 61.119 -2.863 25793 4759 1 12 . 1 1 42 42 SER CB C 42 59.683 59.683 62.874 -3.191 25793 4760 1 12 . 1 1 42 42 SER H H 42 7.875 7.875 7.679 0.196 25793 4761 1 12 . 1 1 43 43 LEU N N 43 123.254 123.254 122.592 0.662 25793 4762 1 12 . 1 1 43 43 LEU HA H 43 4.082 4.082 4.011 0.071 25793 4763 1 12 . 1 1 43 43 LEU C C 43 176.505 176.505 178.794 -2.289 25793 4764 1 12 . 1 1 43 43 LEU CA C 43 55.621 55.621 58.463 -2.842 25793 4765 1 12 . 1 1 43 43 LEU CB C 43 38.460 38.460 41.906 -3.446 25793 4766 1 12 . 1 1 43 43 LEU H H 43 8.736 8.736 8.282 0.454 25793 4767 1 12 . 1 1 44 44 ARG N N 44 118.877 118.877 117.998 0.879 25793 4768 1 12 . 1 1 44 44 ARG HA H 44 4.011 4.011 3.967 0.044 25793 4769 1 12 . 1 1 44 44 ARG C C 44 177.379 177.379 178.969 -1.590 25793 4770 1 12 . 1 1 44 44 ARG CA C 44 56.911 56.911 59.514 -2.603 25793 4771 1 12 . 1 1 44 44 ARG CB C 44 26.602 26.602 30.034 -3.432 25793 4772 1 12 . 1 1 44 44 ARG H H 44 7.686 7.686 7.671 0.015 25793 4773 1 12 . 1 1 45 45 GLY N N 45 107.372 107.372 106.058 1.314 25793 4774 1 12 . 1 1 45 45 GLY C C 45 173.935 173.935 175.749 -1.814 25793 4775 1 12 . 1 1 45 45 GLY CA C 45 44.395 44.395 46.314 -1.919 25793 4776 1 12 . 1 1 45 45 GLY H H 45 7.762 7.762 8.112 -0.350 25793 4777 1 12 . 1 1 46 46 ARG N N 46 123.780 123.780 121.587 2.193 25793 4778 1 12 . 1 1 46 46 ARG HA H 46 3.902 3.902 4.037 -0.135 25793 4779 1 12 . 1 1 46 46 ARG C C 46 175.910 175.910 177.995 -2.085 25793 4780 1 12 . 1 1 46 46 ARG CA C 46 56.375 56.375 58.360 -1.985 25793 4781 1 12 . 1 1 46 46 ARG CB C 46 28.851 28.851 30.171 -1.320 25793 4782 1 12 . 1 1 46 46 ARG H H 46 8.381 8.381 7.603 0.778 25793 4783 1 12 . 1 1 47 47 GLY N N 47 107.330 107.330 107.075 0.255 25793 4784 1 12 . 1 1 47 47 GLY C C 47 173.406 173.406 175.853 -2.447 25793 4785 1 12 . 1 1 47 47 GLY CA C 47 45.429 45.429 46.689 -1.260 25793 4786 1 12 . 1 1 47 47 GLY H H 47 8.782 8.782 7.763 1.019 25793 4787 1 12 . 1 1 48 48 SER N N 48 116.214 116.214 117.137 -0.923 25793 4788 1 12 . 1 1 48 48 SER HA H 48 4.200 4.200 4.147 0.053 25793 4789 1 12 . 1 1 48 48 SER C C 48 174.824 174.824 176.943 -2.119 25793 4790 1 12 . 1 1 48 48 SER CA C 48 58.531 58.531 61.788 -3.257 25793 4791 1 12 . 1 1 48 48 SER CB C 48 59.837 59.837 62.816 -2.979 25793 4792 1 12 . 1 1 48 48 SER H H 48 7.737 7.737 7.611 0.126 25793 4793 1 12 . 1 1 49 49 THR N N 49 118.158 118.158 117.482 0.676 25793 4794 1 12 . 1 1 49 49 THR HA H 49 3.885 3.885 3.996 -0.111 25793 4795 1 12 . 1 1 49 49 THR C C 49 173.322 173.322 176.134 -2.812 25793 4796 1 12 . 1 1 49 49 THR CA C 49 63.385 63.385 64.940 -1.555 25793 4797 1 12 . 1 1 49 49 THR CB C 49 65.997 65.997 68.779 -2.782 25793 4798 1 12 . 1 1 49 49 THR H H 49 7.784 7.784 7.397 0.387 25793 4799 1 12 . 1 1 50 50 LEU N N 50 118.727 118.727 119.584 -0.857 25793 4800 1 12 . 1 1 50 50 LEU HA H 50 4.050 4.050 4.340 -0.290 25793 4801 1 12 . 1 1 50 50 LEU C C 50 174.153 174.153 177.550 -3.397 25793 4802 1 12 . 1 1 50 50 LEU CA C 50 52.580 52.580 54.824 -2.244 25793 4803 1 12 . 1 1 50 50 LEU CB C 50 39.994 39.994 42.047 -2.053 25793 4804 1 12 . 1 1 50 50 LEU H H 50 7.734 7.734 7.621 0.113 25793 4805 1 12 . 1 1 51 51 GLY N N 51 108.894 108.894 108.334 0.560 25793 4806 1 12 . 1 1 51 51 GLY C C 51 171.597 171.597 173.934 -2.337 25793 4807 1 12 . 1 1 51 51 GLY CA C 51 43.400 43.400 45.431 -2.031 25793 4808 1 12 . 1 1 51 51 GLY H H 51 7.698 7.698 7.814 -0.116 25793 4809 1 12 . 1 1 52 52 LEU N N 52 119.252 119.252 120.553 -1.301 25793 4810 1 12 . 1 1 52 52 LEU HA H 52 4.638 4.638 4.570 0.068 25793 4811 1 12 . 1 1 52 52 LEU C C 52 172.244 172.244 176.342 -4.098 25793 4812 1 12 . 1 1 52 52 LEU CA C 52 50.261 50.261 53.851 -3.590 25793 4813 1 12 . 1 1 52 52 LEU CB C 52 42.411 42.411 44.071 -1.660 25793 4814 1 12 . 1 1 52 52 LEU H H 52 7.661 7.661 7.556 0.105 25793 4815 1 12 . 1 1 53 53 ASP N N 53 121.433 121.433 125.298 -3.865 25793 4816 1 12 . 1 1 53 53 ASP HA H 53 4.658 4.658 4.653 0.005 25793 4817 1 12 . 1 1 53 53 ASP C C 53 174.204 174.204 177.263 -3.059 25793 4818 1 12 . 1 1 53 53 ASP CA C 53 50.435 50.435 55.102 -4.667 25793 4819 1 12 . 1 1 53 53 ASP CB C 53 40.206 40.206 41.850 -1.644 25793 4820 1 12 . 1 1 53 53 ASP H H 53 8.127 8.127 8.546 -0.419 25793 4821 1 12 . 1 1 54 54 ILE N N 54 125.804 125.804 127.326 -1.522 25793 4822 1 12 . 1 1 54 54 ILE HA H 54 3.797 3.797 3.710 0.087 25793 4823 1 12 . 1 1 54 54 ILE C C 54 176.613 176.613 177.102 -0.489 25793 4824 1 12 . 1 1 54 54 ILE CA C 54 62.133 62.133 64.612 -2.479 25793 4825 1 12 . 1 1 54 54 ILE CB C 54 35.036 35.036 38.498 -3.462 25793 4826 1 12 . 1 1 54 54 ILE H H 54 8.788 8.788 8.743 0.045 25793 4827 1 12 . 1 1 55 55 GLU N N 55 125.797 125.797 119.057 6.740 25793 4828 1 12 . 1 1 55 55 GLU HA H 55 4.009 4.009 4.039 -0.030 25793 4829 1 12 . 1 1 55 55 GLU C C 55 176.730 176.730 179.114 -2.384 25793 4830 1 12 . 1 1 55 55 GLU CA C 55 57.998 57.998 59.932 -1.934 25793 4831 1 12 . 1 1 55 55 GLU CB C 55 25.895 25.895 29.001 -3.106 25793 4832 1 12 . 1 1 55 55 GLU H H 55 8.945 8.945 8.722 0.223 25793 4833 1 12 . 1 1 56 56 THR N N 56 117.286 117.286 114.756 2.530 25793 4834 1 12 . 1 1 56 56 THR HA H 56 3.817 3.817 4.097 -0.280 25793 4835 1 12 . 1 1 56 56 THR C C 56 174.617 174.617 175.627 -1.010 25793 4836 1 12 . 1 1 56 56 THR CA C 56 63.766 63.766 65.792 -2.026 25793 4837 1 12 . 1 1 56 56 THR CB C 56 65.452 65.452 68.511 -3.059 25793 4838 1 12 . 1 1 56 56 THR H H 56 8.240 8.240 8.148 0.092 25793 4839 1 12 . 1 1 57 57 ALA N N 57 125.072 125.072 123.331 1.741 25793 4840 1 12 . 1 1 57 57 ALA HA H 57 4.230 4.230 4.253 -0.023 25793 4841 1 12 . 1 1 57 57 ALA C C 57 176.346 176.346 179.267 -2.921 25793 4842 1 12 . 1 1 57 57 ALA CA C 57 52.650 52.650 55.203 -2.553 25793 4843 1 12 . 1 1 57 57 ALA CB C 57 17.400 17.400 18.278 -0.878 25793 4844 1 12 . 1 1 57 57 ALA H H 57 8.121 8.121 8.281 -0.160 25793 4845 1 12 . 1 1 58 58 THR N N 58 115.752 115.752 110.468 5.284 25793 4846 1 12 . 1 1 58 58 THR HA H 58 3.632 3.632 4.147 -0.515 25793 4847 1 12 . 1 1 58 58 THR C C 58 172.862 172.862 176.211 -3.349 25793 4848 1 12 . 1 1 58 58 THR CA C 58 65.100 65.100 65.737 -0.637 25793 4849 1 12 . 1 1 58 58 THR CB C 58 66.100 66.100 68.684 -2.584 25793 4850 1 12 . 1 1 58 58 THR H H 58 8.381 8.381 8.562 -0.181 25793 4851 1 12 . 1 1 59 59 ARG N N 59 120.537 120.537 121.074 -0.537 25793 4852 1 12 . 1 1 59 59 ARG HA H 59 3.911 3.911 4.392 -0.481 25793 4853 1 12 . 1 1 59 59 ARG C C 59 176.099 176.099 177.914 -1.815 25793 4854 1 12 . 1 1 59 59 ARG CA C 59 56.616 56.616 58.209 -1.593 25793 4855 1 12 . 1 1 59 59 ARG CB C 59 27.022 27.022 30.516 -3.494 25793 4856 1 12 . 1 1 59 59 ARG H H 59 7.245 7.245 7.322 -0.077 25793 4857 1 12 . 1 1 60 60 ALA N N 60 121.996 121.996 122.997 -1.001 25793 4858 1 12 . 1 1 60 60 ALA HA H 60 4.120 4.120 4.212 -0.092 25793 4859 1 12 . 1 1 60 60 ALA C C 60 178.745 178.745 179.435 -0.690 25793 4860 1 12 . 1 1 60 60 ALA CA C 60 52.000 52.000 54.867 -2.867 25793 4861 1 12 . 1 1 60 60 ALA CB C 60 15.824 15.824 18.569 -2.745 25793 4862 1 12 . 1 1 60 60 ALA H H 60 7.489 7.489 8.158 -0.669 25793 4863 1 12 . 1 1 61 61 GLY N N 61 108.024 108.024 104.905 3.119 25793 4864 1 12 . 1 1 61 61 GLY C C 61 171.515 171.515 175.281 -3.766 25793 4865 1 12 . 1 1 61 61 GLY CA C 61 43.797 43.797 46.047 -2.250 25793 4866 1 12 . 1 1 61 61 GLY H H 61 8.721 8.721 8.238 0.483 25793 4867 1 12 . 1 1 62 62 LYS N N 62 123.393 123.393 120.767 2.626 25793 4868 1 12 . 1 1 62 62 LYS HA H 62 1.780 1.780 2.726 -0.946 25793 4869 1 12 . 1 1 62 62 LYS C C 62 174.612 174.612 178.355 -3.743 25793 4870 1 12 . 1 1 62 62 LYS CA C 62 56.683 56.683 58.838 -2.155 25793 4871 1 12 . 1 1 62 62 LYS CB C 62 29.920 29.920 32.247 -2.327 25793 4872 1 12 . 1 1 62 62 LYS H H 62 7.683 7.683 7.410 0.273 25793 4873 1 12 . 1 1 63 63 GLN N N 63 114.582 114.582 116.680 -2.098 25793 4874 1 12 . 1 1 63 63 GLN HA H 63 3.920 3.920 4.029 -0.109 25793 4875 1 12 . 1 1 63 63 GLN C C 63 176.294 176.294 178.535 -2.241 25793 4876 1 12 . 1 1 63 63 GLN CA C 63 55.604 55.604 58.483 -2.880 25793 4877 1 12 . 1 1 63 63 GLN CB C 63 25.557 25.557 28.911 -3.354 25793 4878 1 12 . 1 1 63 63 GLN H H 63 6.637 6.637 7.434 -0.797 25793 4879 1 12 . 1 1 64 64 ILE N N 64 119.051 119.051 118.213 0.838 25793 4880 1 12 . 1 1 64 64 ILE HA H 64 3.571 3.571 3.862 -0.291 25793 4881 1 12 . 1 1 64 64 ILE C C 64 175.402 175.402 177.643 -2.241 25793 4882 1 12 . 1 1 64 64 ILE CA C 64 62.529 62.529 64.216 -1.687 25793 4883 1 12 . 1 1 64 64 ILE CB C 64 36.198 36.198 37.463 -1.265 25793 4884 1 12 . 1 1 64 64 ILE H H 64 7.092 7.092 7.462 -0.370 25793 4885 1 12 . 1 1 65 65 VAL N N 65 118.800 118.800 120.580 -1.780 25793 4886 1 12 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.713 -0.327 25793 4887 1 12 . 1 1 65 65 VAL C C 65 174.546 174.546 177.211 -2.665 25793 4888 1 12 . 1 1 65 65 VAL CA C 65 64.500 64.500 66.605 -2.105 25793 4889 1 12 . 1 1 65 65 VAL CB C 65 28.300 28.300 31.896 -3.596 25793 4890 1 12 . 1 1 65 65 VAL H H 65 8.103 8.103 7.242 0.861 25793 4891 1 12 . 1 1 66 66 GLU N N 66 118.966 118.966 120.118 -1.152 25793 4892 1 12 . 1 1 66 66 GLU HA H 66 3.810 3.810 3.929 -0.119 25793 4893 1 12 . 1 1 66 66 GLU C C 66 176.292 176.292 179.283 -2.991 25793 4894 1 12 . 1 1 66 66 GLU CA C 66 57.618 57.618 59.700 -2.082 25793 4895 1 12 . 1 1 66 66 GLU CB C 66 26.391 26.391 29.469 -3.078 25793 4896 1 12 . 1 1 66 66 GLU H H 66 8.654 8.654 7.482 1.172 25793 4897 1 12 . 1 1 67 67 ARG N N 67 118.499 118.499 118.515 -0.016 25793 4898 1 12 . 1 1 67 67 ARG HA H 67 3.990 3.990 4.092 -0.102 25793 4899 1 12 . 1 1 67 67 ARG C C 67 176.039 176.039 178.705 -2.666 25793 4900 1 12 . 1 1 67 67 ARG CA C 67 56.996 56.996 58.848 -1.852 25793 4901 1 12 . 1 1 67 67 ARG CB C 67 26.783 26.783 30.294 -3.511 25793 4902 1 12 . 1 1 67 67 ARG H H 67 7.270 7.270 8.077 -0.807 25793 4903 1 12 . 1 1 68 68 ILE N N 68 120.031 120.031 119.980 0.051 25793 4904 1 12 . 1 1 68 68 ILE HA H 68 3.721 3.721 3.811 -0.090 25793 4905 1 12 . 1 1 68 68 ILE C C 68 176.061 176.061 177.398 -1.337 25793 4906 1 12 . 1 1 68 68 ILE CA C 68 61.970 61.970 64.923 -2.953 25793 4907 1 12 . 1 1 68 68 ILE CB C 68 35.254 35.254 38.159 -2.905 25793 4908 1 12 . 1 1 68 68 ILE H H 68 7.569 7.569 7.924 -0.355 25793 4909 1 12 . 1 1 69 69 LEU N N 69 118.859 118.859 116.559 2.300 25793 4910 1 12 . 1 1 69 69 LEU HA H 69 4.127 4.127 4.321 -0.194 25793 4911 1 12 . 1 1 69 69 LEU C C 69 176.859 176.859 178.063 -1.204 25793 4912 1 12 . 1 1 69 69 LEU CA C 69 54.525 54.525 56.267 -1.742 25793 4913 1 12 . 1 1 69 69 LEU CB C 69 38.150 38.150 42.539 -4.389 25793 4914 1 12 . 1 1 69 69 LEU H H 69 8.305 8.305 7.687 0.618 25793 4915 1 12 . 1 1 70 70 LYS N N 70 119.685 119.685 118.892 0.793 25793 4916 1 12 . 1 1 70 70 LYS HA H 70 4.098 4.098 4.228 -0.130 25793 4917 1 12 . 1 1 70 70 LYS C C 70 175.484 175.484 178.219 -2.735 25793 4918 1 12 . 1 1 70 70 LYS CA C 70 55.580 55.580 58.244 -2.664 25793 4919 1 12 . 1 1 70 70 LYS CB C 70 29.700 29.700 32.459 -2.759 25793 4920 1 12 . 1 1 70 70 LYS H H 70 7.748 7.748 7.723 0.025 25793 4921 1 12 . 1 1 71 71 GLU N N 71 118.055 118.055 119.050 -0.995 25793 4922 1 12 . 1 1 71 71 GLU HA H 71 4.175 4.175 4.268 -0.093 25793 4923 1 12 . 1 1 71 71 GLU C C 71 174.094 174.094 176.995 -2.901 25793 4924 1 12 . 1 1 71 71 GLU CA C 71 54.411 54.411 57.799 -3.388 25793 4925 1 12 . 1 1 71 71 GLU CB C 71 27.038 27.038 29.310 -2.272 25793 4926 1 12 . 1 1 71 71 GLU H H 71 7.644 7.644 7.977 -0.333 25793 4927 1 12 . 1 1 72 72 GLU N N 72 118.922 118.922 118.432 0.490 25793 4928 1 12 . 1 1 72 72 GLU HA H 72 4.164 4.164 4.388 -0.224 25793 4929 1 12 . 1 1 72 72 GLU C C 72 172.677 172.677 176.548 -3.871 25793 4930 1 12 . 1 1 72 72 GLU CA C 72 53.047 53.047 56.680 -3.633 25793 4931 1 12 . 1 1 72 72 GLU CB C 72 25.297 25.297 30.384 -5.087 25793 4932 1 12 . 1 1 72 72 GLU H H 72 7.603 7.603 8.556 -0.953 25793 4933 1 13 . 1 1 2 2 ASP HA H 2 4.703 4.703 4.911 -0.208 25793 4934 1 13 . 1 1 2 2 ASP C C 2 173.678 173.678 176.294 -2.616 25793 4935 1 13 . 1 1 2 2 ASP CA C 2 51.357 51.357 53.709 -2.352 25793 4936 1 13 . 1 1 2 2 ASP CB C 2 39.114 39.114 43.402 -4.288 25793 4937 1 13 . 1 1 3 3 SER N N 3 118.993 118.993 116.796 2.197 25793 4938 1 13 . 1 1 3 3 SER HA H 3 4.237 4.237 4.447 -0.210 25793 4939 1 13 . 1 1 3 3 SER C C 3 173.240 173.240 175.410 -2.170 25793 4940 1 13 . 1 1 3 3 SER CA C 3 57.300 57.300 59.382 -2.082 25793 4941 1 13 . 1 1 3 3 SER CB C 3 60.653 60.653 63.552 -2.899 25793 4942 1 13 . 1 1 3 3 SER H H 3 8.745 8.745 8.705 0.040 25793 4943 1 13 . 1 1 4 4 ASN N N 4 122.369 122.369 120.079 2.290 25793 4944 1 13 . 1 1 4 4 ASN HA H 4 4.576 4.576 4.731 -0.155 25793 4945 1 13 . 1 1 4 4 ASN C C 4 176.101 176.101 176.797 -0.696 25793 4946 1 13 . 1 1 4 4 ASN CA C 4 52.488 52.488 55.179 -2.691 25793 4947 1 13 . 1 1 4 4 ASN CB C 4 33.507 33.507 38.598 -5.091 25793 4948 1 13 . 1 1 4 4 ASN H H 4 8.865 8.865 8.483 0.382 25793 4949 1 13 . 1 1 5 5 THR N N 5 122.349 122.349 115.469 6.880 25793 4950 1 13 . 1 1 5 5 THR HA H 5 4.330 4.330 4.304 0.026 25793 4951 1 13 . 1 1 5 5 THR C C 5 174.576 174.576 175.073 -0.497 25793 4952 1 13 . 1 1 5 5 THR CA C 5 63.330 63.330 64.915 -1.585 25793 4953 1 13 . 1 1 5 5 THR CB C 5 66.155 66.155 69.142 -2.987 25793 4954 1 13 . 1 1 5 5 THR H H 5 8.200 8.200 7.544 0.656 25793 4955 1 13 . 1 1 6 6 VAL N N 6 124.255 124.255 121.842 2.413 25793 4956 1 13 . 1 1 6 6 VAL HA H 6 3.480 3.480 4.040 -0.560 25793 4957 1 13 . 1 1 6 6 VAL C C 6 174.988 174.988 177.507 -2.519 25793 4958 1 13 . 1 1 6 6 VAL CA C 6 64.919 64.919 65.317 -0.398 25793 4959 1 13 . 1 1 6 6 VAL CB C 6 28.699 28.699 32.008 -3.309 25793 4960 1 13 . 1 1 6 6 VAL H H 6 7.590 7.590 7.135 0.455 25793 4961 1 13 . 1 1 7 7 SER N N 7 116.402 116.402 116.410 -0.008 25793 4962 1 13 . 1 1 7 7 SER HA H 7 4.459 4.459 4.268 0.191 25793 4963 1 13 . 1 1 7 7 SER C C 7 173.494 173.494 176.749 -3.255 25793 4964 1 13 . 1 1 7 7 SER CA C 7 59.174 59.174 62.460 -3.286 25793 4965 1 13 . 1 1 7 7 SER CB C 7 60.020 60.020 62.909 -2.889 25793 4966 1 13 . 1 1 7 7 SER H H 7 8.721 8.721 8.048 0.673 25793 4967 1 13 . 1 1 8 8 SER N N 8 116.463 116.463 116.318 0.145 25793 4968 1 13 . 1 1 8 8 SER HA H 8 3.745 3.745 4.342 -0.597 25793 4969 1 13 . 1 1 8 8 SER C C 8 171.540 171.540 175.973 -4.433 25793 4970 1 13 . 1 1 8 8 SER CA C 8 60.322 60.322 61.336 -1.014 25793 4971 1 13 . 1 1 8 8 SER CB C 8 60.785 60.785 63.311 -2.526 25793 4972 1 13 . 1 1 8 8 SER H H 8 8.213 8.213 7.768 0.445 25793 4973 1 13 . 1 1 9 9 PHE N N 9 121.530 121.530 123.030 -1.500 25793 4974 1 13 . 1 1 9 9 PHE HA H 9 4.405 4.405 4.494 -0.089 25793 4975 1 13 . 1 1 9 9 PHE C C 9 174.481 174.481 176.602 -2.121 25793 4976 1 13 . 1 1 9 9 PHE CA C 9 58.488 58.488 60.088 -1.600 25793 4977 1 13 . 1 1 9 9 PHE CB C 9 36.397 36.397 39.524 -3.127 25793 4978 1 13 . 1 1 9 9 PHE H H 9 7.387 7.387 7.320 0.067 25793 4979 1 13 . 1 1 10 10 GLN N N 10 119.460 119.460 118.768 0.692 25793 4980 1 13 . 1 1 10 10 GLN HA H 10 3.516 3.516 3.928 -0.412 25793 4981 1 13 . 1 1 10 10 GLN C C 10 176.083 176.083 178.635 -2.552 25793 4982 1 13 . 1 1 10 10 GLN CA C 10 56.595 56.595 59.174 -2.579 25793 4983 1 13 . 1 1 10 10 GLN CB C 10 23.672 23.672 29.007 -5.335 25793 4984 1 13 . 1 1 10 10 GLN H H 10 8.335 8.335 7.863 0.472 25793 4985 1 13 . 1 1 11 11 VAL N N 11 119.513 119.513 117.190 2.323 25793 4986 1 13 . 1 1 11 11 VAL HA H 11 3.300 3.300 3.898 -0.598 25793 4987 1 13 . 1 1 11 11 VAL C C 11 174.535 174.535 177.539 -3.004 25793 4988 1 13 . 1 1 11 11 VAL CA C 11 65.180 65.180 64.897 0.283 25793 4989 1 13 . 1 1 11 11 VAL CB C 11 28.300 28.300 30.950 -2.650 25793 4990 1 13 . 1 1 11 11 VAL H H 11 8.127 8.127 7.692 0.435 25793 4991 1 13 . 1 1 12 12 ASP N N 12 120.959 120.959 121.441 -0.482 25793 4992 1 13 . 1 1 12 12 ASP HA H 12 4.414 4.414 4.511 -0.097 25793 4993 1 13 . 1 1 12 12 ASP C C 12 177.940 177.940 178.334 -0.394 25793 4994 1 13 . 1 1 12 12 ASP CA C 12 55.349 55.349 58.135 -2.786 25793 4995 1 13 . 1 1 12 12 ASP CB C 12 37.275 37.275 40.642 -3.367 25793 4996 1 13 . 1 1 12 12 ASP H H 12 8.116 8.116 7.737 0.379 25793 4997 1 13 . 1 1 13 13 CYS N N 13 119.479 119.479 118.346 1.133 25793 4998 1 13 . 1 1 13 13 CYS HA H 13 4.015 4.015 4.207 -0.192 25793 4999 1 13 . 1 1 13 13 CYS C C 13 175.349 175.349 176.707 -1.358 25793 5000 1 13 . 1 1 13 13 CYS CA C 13 62.384 62.384 62.854 -0.470 25793 5001 1 13 . 1 1 13 13 CYS CB C 13 23.610 23.610 26.567 -2.957 25793 5002 1 13 . 1 1 13 13 CYS H H 13 8.448 8.448 7.728 0.720 25793 5003 1 13 . 1 1 14 14 PHE N N 14 121.085 121.085 121.927 -0.842 25793 5004 1 13 . 1 1 14 14 PHE HA H 14 4.460 4.460 4.294 0.166 25793 5005 1 13 . 1 1 14 14 PHE C C 14 174.143 174.143 177.213 -3.070 25793 5006 1 13 . 1 1 14 14 PHE CA C 14 59.902 59.902 61.221 -1.319 25793 5007 1 13 . 1 1 14 14 PHE CB C 14 35.907 35.907 38.962 -3.055 25793 5008 1 13 . 1 1 14 14 PHE H H 14 8.244 8.244 7.576 0.668 25793 5009 1 13 . 1 1 15 15 LEU N N 15 118.069 118.069 119.362 -1.293 25793 5010 1 13 . 1 1 15 15 LEU HA H 15 3.735 3.735 3.782 -0.047 25793 5011 1 13 . 1 1 15 15 LEU C C 15 176.261 176.261 178.737 -2.476 25793 5012 1 13 . 1 1 15 15 LEU CA C 15 55.494 55.494 58.833 -3.339 25793 5013 1 13 . 1 1 15 15 LEU CB C 15 36.676 36.676 41.577 -4.901 25793 5014 1 13 . 1 1 15 15 LEU H H 15 9.072 9.072 8.478 0.594 25793 5015 1 13 . 1 1 16 16 TRP N N 16 120.587 120.587 120.383 0.204 25793 5016 1 13 . 1 1 16 16 TRP HA H 16 3.660 3.660 4.226 -0.566 25793 5017 1 13 . 1 1 16 16 TRP C C 16 173.925 173.925 177.828 -3.903 25793 5018 1 13 . 1 1 16 16 TRP CA C 16 61.127 61.127 61.661 -0.534 25793 5019 1 13 . 1 1 16 16 TRP CB C 16 26.247 26.247 29.415 -3.168 25793 5020 1 13 . 1 1 16 16 TRP H H 16 8.142 8.142 8.293 -0.151 25793 5021 1 13 . 1 1 17 17 HIS N N 17 117.927 117.927 118.357 -0.430 25793 5022 1 13 . 1 1 17 17 HIS HA H 17 4.022 4.022 3.903 0.119 25793 5023 1 13 . 1 1 17 17 HIS C C 17 173.650 173.650 177.054 -3.404 25793 5024 1 13 . 1 1 17 17 HIS CA C 17 57.350 57.350 59.407 -2.057 25793 5025 1 13 . 1 1 17 17 HIS CB C 17 25.231 25.231 29.604 -4.373 25793 5026 1 13 . 1 1 17 17 HIS H H 17 7.697 7.697 7.597 0.100 25793 5027 1 13 . 1 1 18 18 VAL N N 18 118.787 118.787 119.670 -0.883 25793 5028 1 13 . 1 1 18 18 VAL HA H 18 2.949 2.949 3.451 -0.502 25793 5029 1 13 . 1 1 18 18 VAL C C 18 174.321 174.321 177.700 -3.379 25793 5030 1 13 . 1 1 18 18 VAL CA C 18 64.400 64.400 65.882 -1.482 25793 5031 1 13 . 1 1 18 18 VAL CB C 18 28.400 28.400 31.194 -2.794 25793 5032 1 13 . 1 1 18 18 VAL H H 18 7.651 7.651 7.542 0.109 25793 5033 1 13 . 1 1 19 19 ARG N N 19 118.108 118.108 118.462 -0.354 25793 5034 1 13 . 1 1 19 19 ARG HA H 19 3.661 3.661 4.176 -0.515 25793 5035 1 13 . 1 1 19 19 ARG C C 19 174.575 174.575 178.528 -3.953 25793 5036 1 13 . 1 1 19 19 ARG CA C 19 57.558 57.558 59.123 -1.565 25793 5037 1 13 . 1 1 19 19 ARG CB C 19 28.140 28.140 30.005 -1.865 25793 5038 1 13 . 1 1 19 19 ARG H H 19 7.602 7.602 7.433 0.169 25793 5039 1 13 . 1 1 20 20 LYS N N 20 121.889 121.889 119.054 2.835 25793 5040 1 13 . 1 1 20 20 LYS HA H 20 3.530 3.530 3.980 -0.450 25793 5041 1 13 . 1 1 20 20 LYS C C 20 174.970 174.970 178.462 -3.492 25793 5042 1 13 . 1 1 20 20 LYS CA C 20 55.292 55.292 57.672 -2.380 25793 5043 1 13 . 1 1 20 20 LYS CB C 20 28.420 28.420 31.820 -3.400 25793 5044 1 13 . 1 1 20 20 LYS H H 20 8.304 8.304 7.802 0.502 25793 5045 1 13 . 1 1 21 21 ARG N N 21 118.825 118.825 118.349 0.476 25793 5046 1 13 . 1 1 21 21 ARG HA H 21 3.915 3.915 4.084 -0.169 25793 5047 1 13 . 1 1 21 21 ARG C C 21 176.513 176.513 177.470 -0.957 25793 5048 1 13 . 1 1 21 21 ARG CA C 21 55.003 55.003 58.011 -3.009 25793 5049 1 13 . 1 1 21 21 ARG CB C 21 26.002 26.002 29.949 -3.947 25793 5050 1 13 . 1 1 21 21 ARG H H 21 7.772 7.772 7.435 0.337 25793 5051 1 13 . 1 1 22 22 PHE N N 22 120.501 120.501 119.360 1.141 25793 5052 1 13 . 1 1 22 22 PHE HA H 22 3.899 3.899 4.363 -0.464 25793 5053 1 13 . 1 1 22 22 PHE C C 22 173.880 173.880 175.977 -2.097 25793 5054 1 13 . 1 1 22 22 PHE CA C 22 58.542 58.542 60.118 -1.576 25793 5055 1 13 . 1 1 22 22 PHE CB C 22 35.961 35.961 39.404 -3.443 25793 5056 1 13 . 1 1 22 22 PHE H H 22 7.799 7.799 7.501 0.298 25793 5057 1 13 . 1 1 23 23 ALA N N 23 123.040 123.040 122.266 0.774 25793 5058 1 13 . 1 1 23 23 ALA HA H 23 3.720 3.720 4.076 -0.356 25793 5059 1 13 . 1 1 23 23 ALA C C 23 179.545 179.545 179.838 -0.293 25793 5060 1 13 . 1 1 23 23 ALA CA C 23 51.750 51.750 54.943 -3.193 25793 5061 1 13 . 1 1 23 23 ALA CB C 23 15.970 15.970 18.331 -2.361 25793 5062 1 13 . 1 1 23 23 ALA H H 23 8.627 8.627 8.010 0.617 25793 5063 1 13 . 1 1 24 24 ASP N N 24 121.514 121.514 117.853 3.661 25793 5064 1 13 . 1 1 24 24 ASP HA H 24 4.323 4.323 4.503 -0.180 25793 5065 1 13 . 1 1 24 24 ASP C C 24 175.020 175.020 177.637 -2.617 25793 5066 1 13 . 1 1 24 24 ASP CA C 24 53.645 53.645 56.346 -2.701 25793 5067 1 13 . 1 1 24 24 ASP CB C 24 37.158 37.158 40.941 -3.783 25793 5068 1 13 . 1 1 24 24 ASP H H 24 8.846 8.846 7.963 0.883 25793 5069 1 13 . 1 1 25 25 GLN N N 25 118.127 118.127 117.530 0.597 25793 5070 1 13 . 1 1 25 25 GLN HA H 25 4.159 4.159 4.308 -0.149 25793 5071 1 13 . 1 1 25 25 GLN C C 25 171.680 171.680 174.955 -3.275 25793 5072 1 13 . 1 1 25 25 GLN CA C 25 53.101 53.101 55.711 -2.610 25793 5073 1 13 . 1 1 25 25 GLN CB C 25 25.351 25.351 29.520 -4.169 25793 5074 1 13 . 1 1 25 25 GLN H H 25 7.192 7.192 7.626 -0.434 25793 5075 1 13 . 1 1 26 26 GLU N N 26 112.361 112.361 117.402 -5.041 25793 5076 1 13 . 1 1 26 26 GLU HA H 26 3.906 3.906 3.799 0.107 25793 5077 1 13 . 1 1 26 26 GLU C C 26 173.060 173.060 174.871 -1.811 25793 5078 1 13 . 1 1 26 26 GLU CA C 26 54.352 54.352 57.101 -2.749 25793 5079 1 13 . 1 1 26 26 GLU CB C 26 22.759 22.759 27.689 -4.930 25793 5080 1 13 . 1 1 26 26 GLU H H 26 7.975 7.975 7.729 0.246 25793 5081 1 13 . 1 1 27 27 LEU N N 27 115.873 115.873 121.161 -5.288 25793 5082 1 13 . 1 1 27 27 LEU HA H 27 4.043 4.043 4.179 -0.136 25793 5083 1 13 . 1 1 27 27 LEU C C 27 172.610 172.610 175.703 -3.093 25793 5084 1 13 . 1 1 27 27 LEU CA C 27 50.921 50.921 54.087 -3.166 25793 5085 1 13 . 1 1 27 27 LEU CB C 27 40.359 40.359 42.340 -1.981 25793 5086 1 13 . 1 1 27 27 LEU H H 27 5.781 5.781 7.534 -1.753 25793 5087 1 13 . 1 1 28 28 GLY N N 28 103.011 103.011 110.736 -7.725 25793 5088 1 13 . 1 1 28 28 GLY C C 28 172.297 172.297 173.094 -0.797 25793 5089 1 13 . 1 1 28 28 GLY CA C 28 41.348 41.348 44.014 -2.666 25793 5090 1 13 . 1 1 28 28 GLY H H 28 7.785 7.785 7.825 -0.040 25793 5091 1 13 . 1 1 29 29 ASP N N 29 122.671 122.671 120.152 2.519 25793 5092 1 13 . 1 1 29 29 ASP HA H 29 4.720 4.720 4.849 -0.129 25793 5093 1 13 . 1 1 29 29 ASP C C 29 172.137 172.137 177.366 -5.229 25793 5094 1 13 . 1 1 29 29 ASP CA C 29 48.748 48.748 53.049 -4.301 25793 5095 1 13 . 1 1 29 29 ASP CB C 29 38.519 38.519 41.857 -3.338 25793 5096 1 13 . 1 1 29 29 ASP H H 29 7.515 7.515 8.109 -0.594 25793 5097 1 13 . 1 1 30 30 ALA N N 30 119.757 119.757 122.565 -2.808 25793 5098 1 13 . 1 1 30 30 ALA HA H 30 4.240 4.240 4.287 -0.047 25793 5099 1 13 . 1 1 30 30 ALA CA C 30 54.400 54.400 55.278 -0.878 25793 5100 1 13 . 1 1 30 30 ALA CB C 30 12.540 12.540 17.326 -4.786 25793 5101 1 13 . 1 1 30 30 ALA H H 30 8.492 8.492 8.554 -0.062 25793 5102 1 13 . 1 1 31 31 PRO HA H 31 4.361 4.361 4.484 -0.123 25793 5103 1 13 . 1 1 31 31 PRO C C 31 175.699 175.699 178.190 -2.491 25793 5104 1 13 . 1 1 31 31 PRO CA C 31 63.220 63.220 64.778 -1.558 25793 5105 1 13 . 1 1 31 31 PRO CB C 31 28.336 28.336 31.404 -3.068 25793 5106 1 13 . 1 1 32 32 PHE N N 32 119.824 119.824 119.006 0.818 25793 5107 1 13 . 1 1 32 32 PHE HA H 32 3.885 3.885 4.212 -0.327 25793 5108 1 13 . 1 1 32 32 PHE C C 32 176.949 176.949 177.411 -0.462 25793 5109 1 13 . 1 1 32 32 PHE CA C 32 59.685 59.685 62.135 -2.450 25793 5110 1 13 . 1 1 32 32 PHE CB C 32 36.778 36.778 39.090 -2.312 25793 5111 1 13 . 1 1 32 32 PHE H H 32 7.949 7.949 7.682 0.267 25793 5112 1 13 . 1 1 33 33 LEU N N 33 121.755 121.755 119.684 2.071 25793 5113 1 13 . 1 1 33 33 LEU HA H 33 4.063 4.063 3.894 0.169 25793 5114 1 13 . 1 1 33 33 LEU C C 33 176.490 176.490 178.817 -2.327 25793 5115 1 13 . 1 1 33 33 LEU CA C 33 54.968 54.968 58.470 -3.502 25793 5116 1 13 . 1 1 33 33 LEU CB C 33 38.335 38.335 41.567 -3.232 25793 5117 1 13 . 1 1 33 33 LEU H H 33 8.386 8.386 7.876 0.510 25793 5118 1 13 . 1 1 34 34 ASP N N 34 121.771 121.771 119.035 2.736 25793 5119 1 13 . 1 1 34 34 ASP HA H 34 4.399 4.399 4.340 0.059 25793 5120 1 13 . 1 1 34 34 ASP C C 34 176.196 176.196 179.363 -3.167 25793 5121 1 13 . 1 1 34 34 ASP CA C 34 54.871 54.871 57.797 -2.926 25793 5122 1 13 . 1 1 34 34 ASP CB C 34 38.471 38.471 40.651 -2.180 25793 5123 1 13 . 1 1 34 34 ASP H H 34 8.252 8.252 7.633 0.619 25793 5124 1 13 . 1 1 35 35 ARG N N 35 119.119 119.119 119.975 -0.856 25793 5125 1 13 . 1 1 35 35 ARG HA H 35 3.818 3.818 3.977 -0.159 25793 5126 1 13 . 1 1 35 35 ARG C C 35 175.752 175.752 178.798 -3.046 25793 5127 1 13 . 1 1 35 35 ARG CA C 35 57.302 57.302 59.171 -1.869 25793 5128 1 13 . 1 1 35 35 ARG CB C 35 27.486 27.486 30.224 -2.738 25793 5129 1 13 . 1 1 35 35 ARG H H 35 8.197 8.197 7.775 0.422 25793 5130 1 13 . 1 1 36 36 LEU N N 36 120.940 120.940 120.019 0.921 25793 5131 1 13 . 1 1 36 36 LEU HA H 36 3.872 3.872 3.934 -0.062 25793 5132 1 13 . 1 1 36 36 LEU C C 36 177.676 177.676 178.964 -1.288 25793 5133 1 13 . 1 1 36 36 LEU CA C 36 55.818 55.818 58.112 -2.294 25793 5134 1 13 . 1 1 36 36 LEU CB C 36 40.156 40.156 41.821 -1.665 25793 5135 1 13 . 1 1 36 36 LEU H H 36 7.735 7.735 8.314 -0.579 25793 5136 1 13 . 1 1 37 37 ARG N N 37 120.596 120.596 117.903 2.693 25793 5137 1 13 . 1 1 37 37 ARG HA H 37 4.241 4.241 3.985 0.256 25793 5138 1 13 . 1 1 37 37 ARG C C 37 174.571 174.571 178.874 -4.303 25793 5139 1 13 . 1 1 37 37 ARG CA C 37 56.891 56.891 59.675 -2.784 25793 5140 1 13 . 1 1 37 37 ARG CB C 37 27.936 27.936 29.791 -1.855 25793 5141 1 13 . 1 1 37 37 ARG H H 37 8.006 8.006 7.625 0.381 25793 5142 1 13 . 1 1 38 38 ARG N N 38 121.436 121.436 118.829 2.607 25793 5143 1 13 . 1 1 38 38 ARG HA H 38 3.987 3.987 4.043 -0.056 25793 5144 1 13 . 1 1 38 38 ARG C C 38 177.290 177.290 178.774 -1.484 25793 5145 1 13 . 1 1 38 38 ARG CA C 38 57.131 57.131 59.514 -2.383 25793 5146 1 13 . 1 1 38 38 ARG CB C 38 27.450 27.450 30.067 -2.617 25793 5147 1 13 . 1 1 38 38 ARG H H 38 8.307 8.307 7.679 0.628 25793 5148 1 13 . 1 1 39 39 ASP N N 39 120.034 120.034 119.244 0.790 25793 5149 1 13 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.608 -0.079 25793 5150 1 13 . 1 1 39 39 ASP C C 39 174.864 174.864 178.396 -3.532 25793 5151 1 13 . 1 1 39 39 ASP CA C 39 53.700 53.700 56.800 -3.100 25793 5152 1 13 . 1 1 39 39 ASP CB C 39 37.158 37.158 41.200 -4.042 25793 5153 1 13 . 1 1 39 39 ASP H H 39 8.737 8.737 7.706 1.031 25793 5154 1 13 . 1 1 40 40 GLN N N 40 121.853 121.853 120.047 1.806 25793 5155 1 13 . 1 1 40 40 GLN HA H 40 2.999 2.999 3.813 -0.814 25793 5156 1 13 . 1 1 40 40 GLN C C 40 175.010 175.010 178.238 -3.228 25793 5157 1 13 . 1 1 40 40 GLN CA C 40 56.747 56.747 59.209 -2.462 25793 5158 1 13 . 1 1 40 40 GLN CB C 40 25.196 25.196 28.849 -3.654 25793 5159 1 13 . 1 1 40 40 GLN H H 40 7.954 7.954 8.276 -0.322 25793 5160 1 13 . 1 1 41 41 LYS N N 41 117.346 117.346 119.642 -2.296 25793 5161 1 13 . 1 1 41 41 LYS HA H 41 3.914 3.914 4.045 -0.131 25793 5162 1 13 . 1 1 41 41 LYS C C 41 177.117 177.117 179.199 -2.082 25793 5163 1 13 . 1 1 41 41 LYS CA C 41 56.689 56.689 59.338 -2.649 25793 5164 1 13 . 1 1 41 41 LYS CB C 41 29.446 29.446 32.155 -2.709 25793 5165 1 13 . 1 1 41 41 LYS H H 41 7.014 7.014 7.573 -0.559 25793 5166 1 13 . 1 1 42 42 SER N N 42 115.844 115.844 116.869 -1.025 25793 5167 1 13 . 1 1 42 42 SER HA H 42 4.262 4.262 4.256 0.006 25793 5168 1 13 . 1 1 42 42 SER C C 42 175.262 175.262 176.418 -1.156 25793 5169 1 13 . 1 1 42 42 SER CA C 42 58.256 58.256 62.065 -3.809 25793 5170 1 13 . 1 1 42 42 SER CB C 42 59.683 59.683 62.897 -3.214 25793 5171 1 13 . 1 1 42 42 SER H H 42 7.875 7.875 7.733 0.142 25793 5172 1 13 . 1 1 43 43 LEU N N 43 123.254 123.254 122.253 1.001 25793 5173 1 13 . 1 1 43 43 LEU HA H 43 4.082 4.082 3.999 0.083 25793 5174 1 13 . 1 1 43 43 LEU C C 43 176.505 176.505 178.704 -2.199 25793 5175 1 13 . 1 1 43 43 LEU CA C 43 55.621 55.621 58.242 -2.621 25793 5176 1 13 . 1 1 43 43 LEU CB C 43 38.460 38.460 41.750 -3.290 25793 5177 1 13 . 1 1 43 43 LEU H H 43 8.736 8.736 8.218 0.518 25793 5178 1 13 . 1 1 44 44 ARG N N 44 118.877 118.877 118.080 0.797 25793 5179 1 13 . 1 1 44 44 ARG HA H 44 4.011 4.011 3.987 0.024 25793 5180 1 13 . 1 1 44 44 ARG C C 44 177.379 177.379 178.948 -1.569 25793 5181 1 13 . 1 1 44 44 ARG CA C 44 56.911 56.911 59.463 -2.552 25793 5182 1 13 . 1 1 44 44 ARG CB C 44 26.602 26.602 30.100 -3.498 25793 5183 1 13 . 1 1 44 44 ARG H H 44 7.686 7.686 7.615 0.071 25793 5184 1 13 . 1 1 45 45 GLY N N 45 107.372 107.372 105.834 1.538 25793 5185 1 13 . 1 1 45 45 GLY C C 45 173.935 173.935 175.734 -1.799 25793 5186 1 13 . 1 1 45 45 GLY CA C 45 44.395 44.395 46.222 -1.827 25793 5187 1 13 . 1 1 45 45 GLY H H 45 7.762 7.762 8.190 -0.428 25793 5188 1 13 . 1 1 46 46 ARG N N 46 123.780 123.780 121.755 2.025 25793 5189 1 13 . 1 1 46 46 ARG HA H 46 3.902 3.902 4.310 -0.408 25793 5190 1 13 . 1 1 46 46 ARG C C 46 175.910 175.910 178.267 -2.357 25793 5191 1 13 . 1 1 46 46 ARG CA C 46 56.375 56.375 58.196 -1.821 25793 5192 1 13 . 1 1 46 46 ARG CB C 46 28.851 28.851 30.283 -1.432 25793 5193 1 13 . 1 1 46 46 ARG H H 46 8.381 8.381 7.526 0.855 25793 5194 1 13 . 1 1 47 47 GLY N N 47 107.330 107.330 107.043 0.287 25793 5195 1 13 . 1 1 47 47 GLY C C 47 173.406 173.406 175.850 -2.444 25793 5196 1 13 . 1 1 47 47 GLY CA C 47 45.429 45.429 46.796 -1.367 25793 5197 1 13 . 1 1 47 47 GLY H H 47 8.782 8.782 7.742 1.040 25793 5198 1 13 . 1 1 48 48 SER N N 48 116.214 116.214 117.077 -0.863 25793 5199 1 13 . 1 1 48 48 SER HA H 48 4.200 4.200 4.127 0.073 25793 5200 1 13 . 1 1 48 48 SER C C 48 174.824 174.824 177.009 -2.185 25793 5201 1 13 . 1 1 48 48 SER CA C 48 58.531 58.531 61.941 -3.410 25793 5202 1 13 . 1 1 48 48 SER CB C 48 59.837 59.837 62.927 -3.090 25793 5203 1 13 . 1 1 48 48 SER H H 48 7.737 7.737 7.630 0.107 25793 5204 1 13 . 1 1 49 49 THR N N 49 118.158 118.158 117.929 0.229 25793 5205 1 13 . 1 1 49 49 THR HA H 49 3.885 3.885 3.964 -0.079 25793 5206 1 13 . 1 1 49 49 THR C C 49 173.322 173.322 176.061 -2.739 25793 5207 1 13 . 1 1 49 49 THR CA C 49 63.385 63.385 64.859 -1.474 25793 5208 1 13 . 1 1 49 49 THR CB C 49 65.997 65.997 68.653 -2.656 25793 5209 1 13 . 1 1 49 49 THR H H 49 7.784 7.784 7.479 0.305 25793 5210 1 13 . 1 1 50 50 LEU N N 50 118.727 118.727 120.379 -1.652 25793 5211 1 13 . 1 1 50 50 LEU HA H 50 4.050 4.050 4.311 -0.261 25793 5212 1 13 . 1 1 50 50 LEU C C 50 174.153 174.153 177.503 -3.350 25793 5213 1 13 . 1 1 50 50 LEU CA C 50 52.580 52.580 54.963 -2.383 25793 5214 1 13 . 1 1 50 50 LEU CB C 50 39.994 39.994 42.241 -2.247 25793 5215 1 13 . 1 1 50 50 LEU H H 50 7.734 7.734 7.631 0.103 25793 5216 1 13 . 1 1 51 51 GLY N N 51 108.894 108.894 107.412 1.482 25793 5217 1 13 . 1 1 51 51 GLY C C 51 171.597 171.597 174.171 -2.574 25793 5218 1 13 . 1 1 51 51 GLY CA C 51 43.400 43.400 45.399 -1.999 25793 5219 1 13 . 1 1 51 51 GLY H H 51 7.698 7.698 7.675 0.023 25793 5220 1 13 . 1 1 52 52 LEU N N 52 119.252 119.252 120.233 -0.981 25793 5221 1 13 . 1 1 52 52 LEU HA H 52 4.638 4.638 4.574 0.064 25793 5222 1 13 . 1 1 52 52 LEU C C 52 172.244 172.244 176.440 -4.196 25793 5223 1 13 . 1 1 52 52 LEU CA C 52 50.261 50.261 54.170 -3.909 25793 5224 1 13 . 1 1 52 52 LEU CB C 52 42.411 42.411 44.391 -1.980 25793 5225 1 13 . 1 1 52 52 LEU H H 52 7.661 7.661 7.611 0.050 25793 5226 1 13 . 1 1 53 53 ASP N N 53 121.433 121.433 124.542 -3.109 25793 5227 1 13 . 1 1 53 53 ASP HA H 53 4.658 4.658 4.702 -0.044 25793 5228 1 13 . 1 1 53 53 ASP C C 53 174.204 174.204 177.198 -2.994 25793 5229 1 13 . 1 1 53 53 ASP CA C 53 50.435 50.435 55.099 -4.664 25793 5230 1 13 . 1 1 53 53 ASP CB C 53 40.206 40.206 41.920 -1.714 25793 5231 1 13 . 1 1 53 53 ASP H H 53 8.127 8.127 8.553 -0.426 25793 5232 1 13 . 1 1 54 54 ILE N N 54 125.804 125.804 126.965 -1.161 25793 5233 1 13 . 1 1 54 54 ILE HA H 54 3.797 3.797 3.728 0.069 25793 5234 1 13 . 1 1 54 54 ILE C C 54 176.613 176.613 177.191 -0.578 25793 5235 1 13 . 1 1 54 54 ILE CA C 54 62.133 62.133 64.524 -2.391 25793 5236 1 13 . 1 1 54 54 ILE CB C 54 35.036 35.036 38.631 -3.595 25793 5237 1 13 . 1 1 54 54 ILE H H 54 8.788 8.788 8.746 0.042 25793 5238 1 13 . 1 1 55 55 GLU N N 55 125.797 125.797 117.596 8.201 25793 5239 1 13 . 1 1 55 55 GLU HA H 55 4.009 4.009 3.976 0.033 25793 5240 1 13 . 1 1 55 55 GLU C C 55 176.730 176.730 178.685 -1.955 25793 5241 1 13 . 1 1 55 55 GLU CA C 55 57.998 57.998 59.837 -1.839 25793 5242 1 13 . 1 1 55 55 GLU CB C 55 25.895 25.895 29.055 -3.160 25793 5243 1 13 . 1 1 55 55 GLU H H 55 8.945 8.945 8.752 0.193 25793 5244 1 13 . 1 1 56 56 THR N N 56 117.286 117.286 113.764 3.522 25793 5245 1 13 . 1 1 56 56 THR HA H 56 3.817 3.817 4.146 -0.329 25793 5246 1 13 . 1 1 56 56 THR C C 56 174.617 174.617 175.980 -1.363 25793 5247 1 13 . 1 1 56 56 THR CA C 56 63.766 63.766 65.791 -2.025 25793 5248 1 13 . 1 1 56 56 THR CB C 56 65.452 65.452 68.427 -2.974 25793 5249 1 13 . 1 1 56 56 THR H H 56 8.240 8.240 7.724 0.516 25793 5250 1 13 . 1 1 57 57 ALA N N 57 125.072 125.072 124.249 0.823 25793 5251 1 13 . 1 1 57 57 ALA HA H 57 4.230 4.230 4.214 0.016 25793 5252 1 13 . 1 1 57 57 ALA C C 57 176.346 176.346 179.384 -3.038 25793 5253 1 13 . 1 1 57 57 ALA CA C 57 52.650 52.650 55.005 -2.355 25793 5254 1 13 . 1 1 57 57 ALA CB C 57 17.400 17.400 18.457 -1.057 25793 5255 1 13 . 1 1 57 57 ALA H H 57 8.121 8.121 8.056 0.065 25793 5256 1 13 . 1 1 58 58 THR N N 58 115.752 115.752 109.643 6.109 25793 5257 1 13 . 1 1 58 58 THR HA H 58 3.632 3.632 4.124 -0.492 25793 5258 1 13 . 1 1 58 58 THR C C 58 172.862 172.862 176.530 -3.668 25793 5259 1 13 . 1 1 58 58 THR CA C 58 65.100 65.100 65.132 -0.032 25793 5260 1 13 . 1 1 58 58 THR CB C 58 66.100 66.100 68.846 -2.746 25793 5261 1 13 . 1 1 58 58 THR H H 58 8.381 8.381 8.467 -0.086 25793 5262 1 13 . 1 1 59 59 ARG N N 59 120.537 120.537 120.917 -0.380 25793 5263 1 13 . 1 1 59 59 ARG HA H 59 3.911 3.911 4.253 -0.342 25793 5264 1 13 . 1 1 59 59 ARG C C 59 176.099 176.099 177.776 -1.677 25793 5265 1 13 . 1 1 59 59 ARG CA C 59 56.616 56.616 58.727 -2.111 25793 5266 1 13 . 1 1 59 59 ARG CB C 59 27.022 27.022 30.496 -3.474 25793 5267 1 13 . 1 1 59 59 ARG H H 59 7.245 7.245 7.375 -0.130 25793 5268 1 13 . 1 1 60 60 ALA N N 60 121.996 121.996 122.082 -0.086 25793 5269 1 13 . 1 1 60 60 ALA HA H 60 4.120 4.120 4.155 -0.035 25793 5270 1 13 . 1 1 60 60 ALA C C 60 178.745 178.745 179.673 -0.928 25793 5271 1 13 . 1 1 60 60 ALA CA C 60 52.000 52.000 54.973 -2.973 25793 5272 1 13 . 1 1 60 60 ALA CB C 60 15.824 15.824 18.421 -2.597 25793 5273 1 13 . 1 1 60 60 ALA H H 60 7.489 7.489 8.296 -0.807 25793 5274 1 13 . 1 1 61 61 GLY N N 61 108.024 108.024 104.980 3.044 25793 5275 1 13 . 1 1 61 61 GLY C C 61 171.515 171.515 175.421 -3.906 25793 5276 1 13 . 1 1 61 61 GLY CA C 61 43.797 43.797 46.019 -2.222 25793 5277 1 13 . 1 1 61 61 GLY H H 61 8.721 8.721 8.300 0.421 25793 5278 1 13 . 1 1 62 62 LYS N N 62 123.393 123.393 121.654 1.739 25793 5279 1 13 . 1 1 62 62 LYS HA H 62 1.780 1.780 2.498 -0.719 25793 5280 1 13 . 1 1 62 62 LYS C C 62 174.612 174.612 178.322 -3.710 25793 5281 1 13 . 1 1 62 62 LYS CA C 62 56.683 56.683 59.010 -2.327 25793 5282 1 13 . 1 1 62 62 LYS CB C 62 29.920 29.920 31.869 -1.949 25793 5283 1 13 . 1 1 62 62 LYS H H 62 7.683 7.683 7.411 0.272 25793 5284 1 13 . 1 1 63 63 GLN N N 63 114.582 114.582 116.085 -1.503 25793 5285 1 13 . 1 1 63 63 GLN HA H 63 3.920 3.920 3.982 -0.062 25793 5286 1 13 . 1 1 63 63 GLN C C 63 176.294 176.294 178.495 -2.201 25793 5287 1 13 . 1 1 63 63 GLN CA C 63 55.604 55.604 58.361 -2.757 25793 5288 1 13 . 1 1 63 63 GLN CB C 63 25.557 25.557 28.829 -3.272 25793 5289 1 13 . 1 1 63 63 GLN H H 63 6.637 6.637 7.432 -0.795 25793 5290 1 13 . 1 1 64 64 ILE N N 64 119.051 119.051 114.519 4.532 25793 5291 1 13 . 1 1 64 64 ILE HA H 64 3.571 3.571 4.011 -0.440 25793 5292 1 13 . 1 1 64 64 ILE C C 64 175.402 175.402 176.496 -1.094 25793 5293 1 13 . 1 1 64 64 ILE CA C 64 62.529 62.529 63.820 -1.291 25793 5294 1 13 . 1 1 64 64 ILE CB C 64 36.198 36.198 37.997 -1.799 25793 5295 1 13 . 1 1 64 64 ILE H H 64 7.092 7.092 7.129 -0.037 25793 5296 1 13 . 1 1 65 65 VAL N N 65 118.800 118.800 120.606 -1.806 25793 5297 1 13 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.907 -0.521 25793 5298 1 13 . 1 1 65 65 VAL C C 65 174.546 174.546 177.773 -3.227 25793 5299 1 13 . 1 1 65 65 VAL CA C 65 64.500 64.500 63.937 0.563 25793 5300 1 13 . 1 1 65 65 VAL CB C 65 28.300 28.300 31.418 -3.118 25793 5301 1 13 . 1 1 65 65 VAL H H 65 8.103 8.103 7.481 0.622 25793 5302 1 13 . 1 1 66 66 GLU N N 66 118.966 118.966 120.610 -1.644 25793 5303 1 13 . 1 1 66 66 GLU HA H 66 3.810 3.810 3.938 -0.128 25793 5304 1 13 . 1 1 66 66 GLU C C 66 176.292 176.292 179.738 -3.446 25793 5305 1 13 . 1 1 66 66 GLU CA C 66 57.618 57.618 59.737 -2.119 25793 5306 1 13 . 1 1 66 66 GLU CB C 66 26.391 26.391 29.455 -3.064 25793 5307 1 13 . 1 1 66 66 GLU H H 66 8.654 8.654 7.627 1.027 25793 5308 1 13 . 1 1 67 67 ARG N N 67 118.499 118.499 118.740 -0.241 25793 5309 1 13 . 1 1 67 67 ARG HA H 67 3.990 3.990 4.049 -0.059 25793 5310 1 13 . 1 1 67 67 ARG C C 67 176.039 176.039 179.212 -3.173 25793 5311 1 13 . 1 1 67 67 ARG CA C 67 56.996 56.996 58.838 -1.842 25793 5312 1 13 . 1 1 67 67 ARG CB C 67 26.783 26.783 29.810 -3.027 25793 5313 1 13 . 1 1 67 67 ARG H H 67 7.270 7.270 8.101 -0.831 25793 5314 1 13 . 1 1 68 68 ILE N N 68 120.031 120.031 119.188 0.843 25793 5315 1 13 . 1 1 68 68 ILE HA H 68 3.721 3.721 4.070 -0.349 25793 5316 1 13 . 1 1 68 68 ILE C C 68 176.061 176.061 176.601 -0.540 25793 5317 1 13 . 1 1 68 68 ILE CA C 68 61.970 61.970 63.653 -1.683 25793 5318 1 13 . 1 1 68 68 ILE CB C 68 35.254 35.254 38.380 -3.126 25793 5319 1 13 . 1 1 68 68 ILE H H 68 7.569 7.569 8.036 -0.467 25793 5320 1 13 . 1 1 69 69 LEU N N 69 118.859 118.859 117.708 1.151 25793 5321 1 13 . 1 1 69 69 LEU HA H 69 4.127 4.127 4.248 -0.121 25793 5322 1 13 . 1 1 69 69 LEU C C 69 176.859 176.859 176.881 -0.022 25793 5323 1 13 . 1 1 69 69 LEU CA C 69 54.525 54.525 55.587 -1.062 25793 5324 1 13 . 1 1 69 69 LEU CB C 69 38.150 38.150 42.078 -3.928 25793 5325 1 13 . 1 1 69 69 LEU H H 69 8.305 8.305 7.454 0.851 25793 5326 1 13 . 1 1 70 70 LYS N N 70 119.685 119.685 118.141 1.544 25793 5327 1 13 . 1 1 70 70 LYS HA H 70 4.098 4.098 4.256 -0.158 25793 5328 1 13 . 1 1 70 70 LYS C C 70 175.484 175.484 177.549 -2.065 25793 5329 1 13 . 1 1 70 70 LYS CA C 70 55.580 55.580 57.258 -1.678 25793 5330 1 13 . 1 1 70 70 LYS CB C 70 29.700 29.700 33.080 -3.380 25793 5331 1 13 . 1 1 70 70 LYS H H 70 7.748 7.748 7.382 0.366 25793 5332 1 13 . 1 1 71 71 GLU N N 71 118.055 118.055 119.476 -1.421 25793 5333 1 13 . 1 1 71 71 GLU HA H 71 4.175 4.175 4.149 0.026 25793 5334 1 13 . 1 1 71 71 GLU C C 71 174.094 174.094 176.254 -2.160 25793 5335 1 13 . 1 1 71 71 GLU CA C 71 54.411 54.411 58.226 -3.815 25793 5336 1 13 . 1 1 71 71 GLU CB C 71 27.038 27.038 29.956 -2.918 25793 5337 1 13 . 1 1 71 71 GLU H H 71 7.644 7.644 7.769 -0.125 25793 5338 1 13 . 1 1 72 72 GLU N N 72 118.922 118.922 114.990 3.932 25793 5339 1 13 . 1 1 72 72 GLU HA H 72 4.164 4.164 4.001 0.163 25793 5340 1 13 . 1 1 72 72 GLU C C 72 172.677 172.677 175.752 -3.075 25793 5341 1 13 . 1 1 72 72 GLU CA C 72 53.047 53.047 57.373 -4.325 25793 5342 1 13 . 1 1 72 72 GLU CB C 72 25.297 25.297 28.905 -3.608 25793 5343 1 13 . 1 1 72 72 GLU H H 72 7.603 7.603 8.157 -0.554 25793 5344 1 14 . 1 1 2 2 ASP HA H 2 4.703 4.703 5.016 -0.313 25793 5345 1 14 . 1 1 2 2 ASP C C 2 173.678 173.678 175.987 -2.309 25793 5346 1 14 . 1 1 2 2 ASP CA C 2 51.357 51.357 54.039 -2.682 25793 5347 1 14 . 1 1 2 2 ASP CB C 2 39.114 39.114 41.980 -2.866 25793 5348 1 14 . 1 1 3 3 SER N N 3 118.993 118.993 115.798 3.195 25793 5349 1 14 . 1 1 3 3 SER HA H 3 4.237 4.237 4.442 -0.205 25793 5350 1 14 . 1 1 3 3 SER C C 3 173.240 173.240 175.531 -2.291 25793 5351 1 14 . 1 1 3 3 SER CA C 3 57.300 57.300 59.549 -2.249 25793 5352 1 14 . 1 1 3 3 SER CB C 3 60.653 60.653 63.452 -2.799 25793 5353 1 14 . 1 1 3 3 SER H H 3 8.745 8.745 8.301 0.444 25793 5354 1 14 . 1 1 4 4 ASN N N 4 122.369 122.369 119.531 2.838 25793 5355 1 14 . 1 1 4 4 ASN HA H 4 4.576 4.576 4.643 -0.067 25793 5356 1 14 . 1 1 4 4 ASN C C 4 176.101 176.101 176.625 -0.524 25793 5357 1 14 . 1 1 4 4 ASN CA C 4 52.488 52.488 56.022 -3.534 25793 5358 1 14 . 1 1 4 4 ASN CB C 4 33.507 33.507 38.246 -4.739 25793 5359 1 14 . 1 1 4 4 ASN H H 4 8.865 8.865 8.683 0.182 25793 5360 1 14 . 1 1 5 5 THR N N 5 122.349 122.349 115.711 6.638 25793 5361 1 14 . 1 1 5 5 THR HA H 5 4.330 4.330 4.272 0.058 25793 5362 1 14 . 1 1 5 5 THR C C 5 174.576 174.576 175.489 -0.913 25793 5363 1 14 . 1 1 5 5 THR CA C 5 63.330 63.330 64.817 -1.486 25793 5364 1 14 . 1 1 5 5 THR CB C 5 66.155 66.155 68.968 -2.813 25793 5365 1 14 . 1 1 5 5 THR H H 5 8.200 8.200 7.486 0.714 25793 5366 1 14 . 1 1 6 6 VAL N N 6 124.255 124.255 119.576 4.679 25793 5367 1 14 . 1 1 6 6 VAL HA H 6 3.480 3.480 4.185 -0.705 25793 5368 1 14 . 1 1 6 6 VAL C C 6 174.988 174.988 177.777 -2.789 25793 5369 1 14 . 1 1 6 6 VAL CA C 6 64.919 64.919 64.360 0.559 25793 5370 1 14 . 1 1 6 6 VAL CB C 6 28.699 28.699 31.888 -3.189 25793 5371 1 14 . 1 1 6 6 VAL H H 6 7.590 7.590 7.743 -0.153 25793 5372 1 14 . 1 1 7 7 SER N N 7 116.402 116.402 116.748 -0.346 25793 5373 1 14 . 1 1 7 7 SER HA H 7 4.459 4.459 4.475 -0.016 25793 5374 1 14 . 1 1 7 7 SER C C 7 173.494 173.494 177.072 -3.578 25793 5375 1 14 . 1 1 7 7 SER CA C 7 59.174 59.174 61.670 -2.496 25793 5376 1 14 . 1 1 7 7 SER CB C 7 60.020 60.020 62.545 -2.525 25793 5377 1 14 . 1 1 7 7 SER H H 7 8.721 8.721 8.313 0.407 25793 5378 1 14 . 1 1 8 8 SER N N 8 116.463 116.463 116.731 -0.268 25793 5379 1 14 . 1 1 8 8 SER HA H 8 3.745 3.745 4.347 -0.602 25793 5380 1 14 . 1 1 8 8 SER C C 8 171.540 171.540 176.054 -4.514 25793 5381 1 14 . 1 1 8 8 SER CA C 8 60.322 60.322 61.216 -0.894 25793 5382 1 14 . 1 1 8 8 SER CB C 8 60.785 60.785 63.244 -2.459 25793 5383 1 14 . 1 1 8 8 SER H H 8 8.213 8.213 7.841 0.372 25793 5384 1 14 . 1 1 9 9 PHE N N 9 121.530 121.530 123.862 -2.332 25793 5385 1 14 . 1 1 9 9 PHE HA H 9 4.405 4.405 4.503 -0.098 25793 5386 1 14 . 1 1 9 9 PHE C C 9 174.481 174.481 176.528 -2.047 25793 5387 1 14 . 1 1 9 9 PHE CA C 9 58.488 58.488 60.315 -1.827 25793 5388 1 14 . 1 1 9 9 PHE CB C 9 36.397 36.397 39.544 -3.147 25793 5389 1 14 . 1 1 9 9 PHE H H 9 7.387 7.387 7.338 0.049 25793 5390 1 14 . 1 1 10 10 GLN N N 10 119.460 119.460 119.383 0.077 25793 5391 1 14 . 1 1 10 10 GLN HA H 10 3.516 3.516 3.825 -0.309 25793 5392 1 14 . 1 1 10 10 GLN C C 10 176.083 176.083 178.490 -2.407 25793 5393 1 14 . 1 1 10 10 GLN CA C 10 56.595 56.595 59.132 -2.537 25793 5394 1 14 . 1 1 10 10 GLN CB C 10 23.672 23.672 28.819 -5.147 25793 5395 1 14 . 1 1 10 10 GLN H H 10 8.335 8.335 8.256 0.079 25793 5396 1 14 . 1 1 11 11 VAL N N 11 119.513 119.513 118.934 0.579 25793 5397 1 14 . 1 1 11 11 VAL HA H 11 3.300 3.300 3.779 -0.479 25793 5398 1 14 . 1 1 11 11 VAL C C 11 174.535 174.535 177.560 -3.025 25793 5399 1 14 . 1 1 11 11 VAL CA C 11 65.180 65.180 66.865 -1.685 25793 5400 1 14 . 1 1 11 11 VAL CB C 11 28.300 28.300 31.641 -3.341 25793 5401 1 14 . 1 1 11 11 VAL H H 11 8.127 8.127 8.177 -0.050 25793 5402 1 14 . 1 1 12 12 ASP N N 12 120.959 120.959 120.797 0.162 25793 5403 1 14 . 1 1 12 12 ASP HA H 12 4.414 4.414 4.480 -0.066 25793 5404 1 14 . 1 1 12 12 ASP C C 12 177.940 177.940 178.518 -0.578 25793 5405 1 14 . 1 1 12 12 ASP CA C 12 55.349 55.349 57.781 -2.432 25793 5406 1 14 . 1 1 12 12 ASP CB C 12 37.275 37.275 40.527 -3.252 25793 5407 1 14 . 1 1 12 12 ASP H H 12 8.116 8.116 7.807 0.309 25793 5408 1 14 . 1 1 13 13 CYS N N 13 119.479 119.479 118.568 0.911 25793 5409 1 14 . 1 1 13 13 CYS HA H 13 4.015 4.015 4.210 -0.195 25793 5410 1 14 . 1 1 13 13 CYS C C 13 175.349 175.349 177.216 -1.867 25793 5411 1 14 . 1 1 13 13 CYS CA C 13 62.384 62.384 62.902 -0.518 25793 5412 1 14 . 1 1 13 13 CYS CB C 13 23.610 23.610 26.460 -2.850 25793 5413 1 14 . 1 1 13 13 CYS H H 13 8.448 8.448 7.869 0.579 25793 5414 1 14 . 1 1 14 14 PHE N N 14 121.085 121.085 122.870 -1.785 25793 5415 1 14 . 1 1 14 14 PHE HA H 14 4.460 4.460 4.312 0.148 25793 5416 1 14 . 1 1 14 14 PHE C C 14 174.143 174.143 176.813 -2.670 25793 5417 1 14 . 1 1 14 14 PHE CA C 14 59.902 59.902 61.356 -1.454 25793 5418 1 14 . 1 1 14 14 PHE CB C 14 35.907 35.907 38.899 -2.992 25793 5419 1 14 . 1 1 14 14 PHE H H 14 8.244 8.244 7.585 0.659 25793 5420 1 14 . 1 1 15 15 LEU N N 15 118.069 118.069 119.508 -1.439 25793 5421 1 14 . 1 1 15 15 LEU HA H 15 3.735 3.735 3.825 -0.090 25793 5422 1 14 . 1 1 15 15 LEU C C 15 176.261 176.261 178.764 -2.503 25793 5423 1 14 . 1 1 15 15 LEU CA C 15 55.494 55.494 58.848 -3.354 25793 5424 1 14 . 1 1 15 15 LEU CB C 15 36.676 36.676 41.840 -5.164 25793 5425 1 14 . 1 1 15 15 LEU H H 15 9.072 9.072 8.510 0.562 25793 5426 1 14 . 1 1 16 16 TRP N N 16 120.587 120.587 119.099 1.488 25793 5427 1 14 . 1 1 16 16 TRP HA H 16 3.660 3.660 4.252 -0.592 25793 5428 1 14 . 1 1 16 16 TRP C C 16 173.925 173.925 177.878 -3.953 25793 5429 1 14 . 1 1 16 16 TRP CA C 16 61.127 61.127 59.459 1.668 25793 5430 1 14 . 1 1 16 16 TRP CB C 16 26.247 26.247 29.772 -3.525 25793 5431 1 14 . 1 1 16 16 TRP H H 16 8.142 8.142 8.478 -0.336 25793 5432 1 14 . 1 1 17 17 HIS N N 17 117.927 117.927 118.494 -0.567 25793 5433 1 14 . 1 1 17 17 HIS HA H 17 4.022 4.022 4.291 -0.269 25793 5434 1 14 . 1 1 17 17 HIS C C 17 173.650 173.650 176.577 -2.927 25793 5435 1 14 . 1 1 17 17 HIS CA C 17 57.350 57.350 59.167 -1.817 25793 5436 1 14 . 1 1 17 17 HIS CB C 17 25.231 25.231 29.987 -4.756 25793 5437 1 14 . 1 1 17 17 HIS H H 17 7.697 7.697 7.555 0.142 25793 5438 1 14 . 1 1 18 18 VAL N N 18 118.787 118.787 118.681 0.106 25793 5439 1 14 . 1 1 18 18 VAL HA H 18 2.949 2.949 3.590 -0.641 25793 5440 1 14 . 1 1 18 18 VAL C C 18 174.321 174.321 177.803 -3.482 25793 5441 1 14 . 1 1 18 18 VAL CA C 18 64.400 64.400 65.532 -1.132 25793 5442 1 14 . 1 1 18 18 VAL CB C 18 28.400 28.400 31.344 -2.944 25793 5443 1 14 . 1 1 18 18 VAL H H 18 7.651 7.651 7.666 -0.015 25793 5444 1 14 . 1 1 19 19 ARG N N 19 118.108 118.108 118.440 -0.332 25793 5445 1 14 . 1 1 19 19 ARG HA H 19 3.661 3.661 4.162 -0.501 25793 5446 1 14 . 1 1 19 19 ARG C C 19 174.575 174.575 178.363 -3.788 25793 5447 1 14 . 1 1 19 19 ARG CA C 19 57.558 57.558 59.266 -1.708 25793 5448 1 14 . 1 1 19 19 ARG CB C 19 28.140 28.140 30.131 -1.991 25793 5449 1 14 . 1 1 19 19 ARG H H 19 7.602 7.602 7.818 -0.216 25793 5450 1 14 . 1 1 20 20 LYS N N 20 121.889 121.889 119.042 2.847 25793 5451 1 14 . 1 1 20 20 LYS HA H 20 3.530 3.530 3.929 -0.399 25793 5452 1 14 . 1 1 20 20 LYS C C 20 174.970 174.970 178.623 -3.653 25793 5453 1 14 . 1 1 20 20 LYS CA C 20 55.292 55.292 57.752 -2.460 25793 5454 1 14 . 1 1 20 20 LYS CB C 20 28.420 28.420 31.950 -3.530 25793 5455 1 14 . 1 1 20 20 LYS H H 20 8.304 8.304 7.589 0.715 25793 5456 1 14 . 1 1 21 21 ARG N N 21 118.825 118.825 117.989 0.836 25793 5457 1 14 . 1 1 21 21 ARG HA H 21 3.915 3.915 4.094 -0.179 25793 5458 1 14 . 1 1 21 21 ARG C C 21 176.513 176.513 177.257 -0.744 25793 5459 1 14 . 1 1 21 21 ARG CA C 21 55.003 55.003 58.372 -3.369 25793 5460 1 14 . 1 1 21 21 ARG CB C 21 26.002 26.002 30.169 -4.168 25793 5461 1 14 . 1 1 21 21 ARG H H 21 7.772 7.772 7.402 0.370 25793 5462 1 14 . 1 1 22 22 PHE N N 22 120.501 120.501 119.216 1.285 25793 5463 1 14 . 1 1 22 22 PHE HA H 22 3.899 3.899 4.329 -0.430 25793 5464 1 14 . 1 1 22 22 PHE C C 22 173.880 173.880 176.483 -2.603 25793 5465 1 14 . 1 1 22 22 PHE CA C 22 58.542 58.542 60.837 -2.295 25793 5466 1 14 . 1 1 22 22 PHE CB C 22 35.961 35.961 39.725 -3.764 25793 5467 1 14 . 1 1 22 22 PHE H H 22 7.799 7.799 7.553 0.246 25793 5468 1 14 . 1 1 23 23 ALA N N 23 123.040 123.040 121.550 1.490 25793 5469 1 14 . 1 1 23 23 ALA HA H 23 3.720 3.720 4.118 -0.398 25793 5470 1 14 . 1 1 23 23 ALA C C 23 179.545 179.545 179.771 -0.226 25793 5471 1 14 . 1 1 23 23 ALA CA C 23 51.750 51.750 54.932 -3.182 25793 5472 1 14 . 1 1 23 23 ALA CB C 23 15.970 15.970 18.333 -2.363 25793 5473 1 14 . 1 1 23 23 ALA H H 23 8.627 8.627 8.239 0.388 25793 5474 1 14 . 1 1 24 24 ASP N N 24 121.514 121.514 117.663 3.851 25793 5475 1 14 . 1 1 24 24 ASP HA H 24 4.323 4.323 4.507 -0.184 25793 5476 1 14 . 1 1 24 24 ASP C C 24 175.020 175.020 177.362 -2.342 25793 5477 1 14 . 1 1 24 24 ASP CA C 24 53.645 53.645 56.270 -2.625 25793 5478 1 14 . 1 1 24 24 ASP CB C 24 37.158 37.158 40.921 -3.763 25793 5479 1 14 . 1 1 24 24 ASP H H 24 8.846 8.846 7.955 0.891 25793 5480 1 14 . 1 1 25 25 GLN N N 25 118.127 118.127 116.671 1.456 25793 5481 1 14 . 1 1 25 25 GLN HA H 25 4.159 4.159 4.349 -0.190 25793 5482 1 14 . 1 1 25 25 GLN C C 25 171.680 171.680 175.168 -3.488 25793 5483 1 14 . 1 1 25 25 GLN CA C 25 53.101 53.101 55.257 -2.156 25793 5484 1 14 . 1 1 25 25 GLN CB C 25 25.351 25.351 29.800 -4.449 25793 5485 1 14 . 1 1 25 25 GLN H H 25 7.192 7.192 7.346 -0.154 25793 5486 1 14 . 1 1 26 26 GLU N N 26 112.361 112.361 117.485 -5.124 25793 5487 1 14 . 1 1 26 26 GLU HA H 26 3.906 3.906 3.958 -0.052 25793 5488 1 14 . 1 1 26 26 GLU C C 26 173.060 173.060 175.257 -2.197 25793 5489 1 14 . 1 1 26 26 GLU CA C 26 54.352 54.352 56.736 -2.384 25793 5490 1 14 . 1 1 26 26 GLU CB C 26 22.759 22.759 27.705 -4.946 25793 5491 1 14 . 1 1 26 26 GLU H H 26 7.975 7.975 7.803 0.172 25793 5492 1 14 . 1 1 27 27 LEU N N 27 115.873 115.873 121.106 -5.233 25793 5493 1 14 . 1 1 27 27 LEU HA H 27 4.043 4.043 4.113 -0.070 25793 5494 1 14 . 1 1 27 27 LEU C C 27 172.610 172.610 176.011 -3.401 25793 5495 1 14 . 1 1 27 27 LEU CA C 27 50.921 50.921 54.587 -3.666 25793 5496 1 14 . 1 1 27 27 LEU CB C 27 40.359 40.359 41.812 -1.453 25793 5497 1 14 . 1 1 27 27 LEU H H 27 5.781 5.781 7.452 -1.671 25793 5498 1 14 . 1 1 28 28 GLY N N 28 103.011 103.011 112.063 -9.052 25793 5499 1 14 . 1 1 28 28 GLY C C 28 172.297 172.297 173.164 -0.867 25793 5500 1 14 . 1 1 28 28 GLY CA C 28 41.348 41.348 43.890 -2.542 25793 5501 1 14 . 1 1 28 28 GLY H H 28 7.785 7.785 8.184 -0.399 25793 5502 1 14 . 1 1 29 29 ASP N N 29 122.671 122.671 119.673 2.998 25793 5503 1 14 . 1 1 29 29 ASP HA H 29 4.720 4.720 4.804 -0.084 25793 5504 1 14 . 1 1 29 29 ASP C C 29 172.137 172.137 177.891 -5.754 25793 5505 1 14 . 1 1 29 29 ASP CA C 29 48.748 48.748 53.386 -4.638 25793 5506 1 14 . 1 1 29 29 ASP CB C 29 38.519 38.519 41.771 -3.252 25793 5507 1 14 . 1 1 29 29 ASP H H 29 7.515 7.515 8.279 -0.764 25793 5508 1 14 . 1 1 30 30 ALA N N 30 119.757 119.757 123.477 -3.720 25793 5509 1 14 . 1 1 30 30 ALA HA H 30 4.240 4.240 4.243 -0.003 25793 5510 1 14 . 1 1 30 30 ALA CA C 30 54.400 54.400 55.184 -0.784 25793 5511 1 14 . 1 1 30 30 ALA CB C 30 12.540 12.540 16.950 -4.410 25793 5512 1 14 . 1 1 30 30 ALA H H 30 8.492 8.492 8.597 -0.105 25793 5513 1 14 . 1 1 31 31 PRO HA H 31 4.361 4.361 4.507 -0.146 25793 5514 1 14 . 1 1 31 31 PRO C C 31 175.699 175.699 178.206 -2.507 25793 5515 1 14 . 1 1 31 31 PRO CA C 31 63.220 63.220 64.659 -1.439 25793 5516 1 14 . 1 1 31 31 PRO CB C 31 28.336 28.336 31.328 -2.993 25793 5517 1 14 . 1 1 32 32 PHE N N 32 119.824 119.824 119.236 0.588 25793 5518 1 14 . 1 1 32 32 PHE HA H 32 3.885 3.885 4.295 -0.410 25793 5519 1 14 . 1 1 32 32 PHE C C 32 176.949 176.949 177.336 -0.387 25793 5520 1 14 . 1 1 32 32 PHE CA C 32 59.685 59.685 62.301 -2.616 25793 5521 1 14 . 1 1 32 32 PHE CB C 32 36.778 36.778 39.262 -2.484 25793 5522 1 14 . 1 1 32 32 PHE H H 32 7.949 7.949 7.697 0.252 25793 5523 1 14 . 1 1 33 33 LEU N N 33 121.755 121.755 119.794 1.961 25793 5524 1 14 . 1 1 33 33 LEU HA H 33 4.063 4.063 3.967 0.096 25793 5525 1 14 . 1 1 33 33 LEU C C 33 176.490 176.490 179.061 -2.571 25793 5526 1 14 . 1 1 33 33 LEU CA C 33 54.968 54.968 57.976 -3.008 25793 5527 1 14 . 1 1 33 33 LEU CB C 33 38.335 38.335 40.701 -2.366 25793 5528 1 14 . 1 1 33 33 LEU H H 33 8.386 8.386 7.797 0.589 25793 5529 1 14 . 1 1 34 34 ASP N N 34 121.771 121.771 119.443 2.328 25793 5530 1 14 . 1 1 34 34 ASP HA H 34 4.399 4.399 4.311 0.088 25793 5531 1 14 . 1 1 34 34 ASP C C 34 176.196 176.196 178.893 -2.697 25793 5532 1 14 . 1 1 34 34 ASP CA C 34 54.871 54.871 57.998 -3.127 25793 5533 1 14 . 1 1 34 34 ASP CB C 34 38.471 38.471 40.722 -2.251 25793 5534 1 14 . 1 1 34 34 ASP H H 34 8.252 8.252 7.634 0.618 25793 5535 1 14 . 1 1 35 35 ARG N N 35 119.119 119.119 119.707 -0.588 25793 5536 1 14 . 1 1 35 35 ARG HA H 35 3.818 3.818 3.995 -0.177 25793 5537 1 14 . 1 1 35 35 ARG C C 35 175.752 175.752 178.889 -3.137 25793 5538 1 14 . 1 1 35 35 ARG CA C 35 57.302 57.302 59.117 -1.815 25793 5539 1 14 . 1 1 35 35 ARG CB C 35 27.486 27.486 30.219 -2.733 25793 5540 1 14 . 1 1 35 35 ARG H H 35 8.197 8.197 7.915 0.282 25793 5541 1 14 . 1 1 36 36 LEU N N 36 120.940 120.940 119.837 1.103 25793 5542 1 14 . 1 1 36 36 LEU HA H 36 3.872 3.872 4.313 -0.441 25793 5543 1 14 . 1 1 36 36 LEU C C 36 177.676 177.676 179.133 -1.457 25793 5544 1 14 . 1 1 36 36 LEU CA C 36 55.818 55.818 58.007 -2.189 25793 5545 1 14 . 1 1 36 36 LEU CB C 36 40.156 40.156 41.347 -1.191 25793 5546 1 14 . 1 1 36 36 LEU H H 36 7.735 7.735 8.455 -0.720 25793 5547 1 14 . 1 1 37 37 ARG N N 37 120.596 120.596 118.348 2.248 25793 5548 1 14 . 1 1 37 37 ARG HA H 37 4.241 4.241 4.003 0.238 25793 5549 1 14 . 1 1 37 37 ARG C C 37 174.571 174.571 178.852 -4.281 25793 5550 1 14 . 1 1 37 37 ARG CA C 37 56.891 56.891 59.744 -2.853 25793 5551 1 14 . 1 1 37 37 ARG CB C 37 27.936 27.936 29.862 -1.926 25793 5552 1 14 . 1 1 37 37 ARG H H 37 8.006 8.006 7.730 0.276 25793 5553 1 14 . 1 1 38 38 ARG N N 38 121.436 121.436 118.348 3.088 25793 5554 1 14 . 1 1 38 38 ARG HA H 38 3.987 3.987 4.058 -0.071 25793 5555 1 14 . 1 1 38 38 ARG C C 38 177.290 177.290 178.317 -1.027 25793 5556 1 14 . 1 1 38 38 ARG CA C 38 57.131 57.131 59.109 -1.978 25793 5557 1 14 . 1 1 38 38 ARG CB C 38 27.450 27.450 30.076 -2.626 25793 5558 1 14 . 1 1 38 38 ARG H H 38 8.307 8.307 7.602 0.705 25793 5559 1 14 . 1 1 39 39 ASP N N 39 120.034 120.034 117.990 2.044 25793 5560 1 14 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.477 0.052 25793 5561 1 14 . 1 1 39 39 ASP C C 39 174.864 174.864 177.901 -3.037 25793 5562 1 14 . 1 1 39 39 ASP CA C 39 53.700 53.700 56.688 -2.988 25793 5563 1 14 . 1 1 39 39 ASP CB C 39 37.158 37.158 41.145 -3.987 25793 5564 1 14 . 1 1 39 39 ASP H H 39 8.737 8.737 7.617 1.120 25793 5565 1 14 . 1 1 40 40 GLN N N 40 121.853 121.853 120.638 1.215 25793 5566 1 14 . 1 1 40 40 GLN HA H 40 2.999 2.999 4.511 -1.512 25793 5567 1 14 . 1 1 40 40 GLN C C 40 175.010 175.010 178.250 -3.240 25793 5568 1 14 . 1 1 40 40 GLN CA C 40 56.747 56.747 59.599 -2.852 25793 5569 1 14 . 1 1 40 40 GLN CB C 40 25.196 25.196 29.103 -3.907 25793 5570 1 14 . 1 1 40 40 GLN H H 40 7.954 7.954 8.199 -0.245 25793 5571 1 14 . 1 1 41 41 LYS N N 41 117.346 117.346 118.873 -1.527 25793 5572 1 14 . 1 1 41 41 LYS HA H 41 3.914 3.914 4.139 -0.225 25793 5573 1 14 . 1 1 41 41 LYS C C 41 177.117 177.117 179.305 -2.188 25793 5574 1 14 . 1 1 41 41 LYS CA C 41 56.689 56.689 59.295 -2.606 25793 5575 1 14 . 1 1 41 41 LYS CB C 41 29.446 29.446 32.045 -2.599 25793 5576 1 14 . 1 1 41 41 LYS H H 41 7.014 7.014 7.638 -0.624 25793 5577 1 14 . 1 1 42 42 SER N N 42 115.844 115.844 116.386 -0.542 25793 5578 1 14 . 1 1 42 42 SER HA H 42 4.262 4.262 4.287 -0.025 25793 5579 1 14 . 1 1 42 42 SER C C 42 175.262 175.262 176.407 -1.145 25793 5580 1 14 . 1 1 42 42 SER CA C 42 58.256 58.256 61.203 -2.947 25793 5581 1 14 . 1 1 42 42 SER CB C 42 59.683 59.683 62.966 -3.283 25793 5582 1 14 . 1 1 42 42 SER H H 42 7.875 7.875 7.645 0.230 25793 5583 1 14 . 1 1 43 43 LEU N N 43 123.254 123.254 121.943 1.311 25793 5584 1 14 . 1 1 43 43 LEU HA H 43 4.082 4.082 4.163 -0.081 25793 5585 1 14 . 1 1 43 43 LEU C C 43 176.505 176.505 179.323 -2.818 25793 5586 1 14 . 1 1 43 43 LEU CA C 43 55.621 55.621 57.510 -1.889 25793 5587 1 14 . 1 1 43 43 LEU CB C 43 38.460 38.460 41.290 -2.830 25793 5588 1 14 . 1 1 43 43 LEU H H 43 8.736 8.736 8.373 0.363 25793 5589 1 14 . 1 1 44 44 ARG N N 44 118.877 118.877 118.282 0.595 25793 5590 1 14 . 1 1 44 44 ARG HA H 44 4.011 4.011 4.138 -0.127 25793 5591 1 14 . 1 1 44 44 ARG C C 44 177.379 177.379 179.202 -1.823 25793 5592 1 14 . 1 1 44 44 ARG CA C 44 56.911 56.911 59.685 -2.774 25793 5593 1 14 . 1 1 44 44 ARG CB C 44 26.602 26.602 30.252 -3.650 25793 5594 1 14 . 1 1 44 44 ARG H H 44 7.686 7.686 7.880 -0.194 25793 5595 1 14 . 1 1 45 45 GLY N N 45 107.372 107.372 106.283 1.089 25793 5596 1 14 . 1 1 45 45 GLY C C 45 173.935 173.935 175.746 -1.811 25793 5597 1 14 . 1 1 45 45 GLY CA C 45 44.395 44.395 46.256 -1.861 25793 5598 1 14 . 1 1 45 45 GLY H H 45 7.762 7.762 8.157 -0.395 25793 5599 1 14 . 1 1 46 46 ARG N N 46 123.780 123.780 121.664 2.116 25793 5600 1 14 . 1 1 46 46 ARG HA H 46 3.902 3.902 4.058 -0.156 25793 5601 1 14 . 1 1 46 46 ARG C C 46 175.910 175.910 178.084 -2.174 25793 5602 1 14 . 1 1 46 46 ARG CA C 46 56.375 56.375 58.308 -1.933 25793 5603 1 14 . 1 1 46 46 ARG CB C 46 28.851 28.851 30.158 -1.307 25793 5604 1 14 . 1 1 46 46 ARG H H 46 8.381 8.381 7.759 0.622 25793 5605 1 14 . 1 1 47 47 GLY N N 47 107.330 107.330 107.300 0.030 25793 5606 1 14 . 1 1 47 47 GLY C C 47 173.406 173.406 175.885 -2.479 25793 5607 1 14 . 1 1 47 47 GLY CA C 47 45.429 45.429 46.872 -1.443 25793 5608 1 14 . 1 1 47 47 GLY H H 47 8.782 8.782 7.873 0.909 25793 5609 1 14 . 1 1 48 48 SER N N 48 116.214 116.214 117.807 -1.593 25793 5610 1 14 . 1 1 48 48 SER HA H 48 4.200 4.200 4.148 0.052 25793 5611 1 14 . 1 1 48 48 SER C C 48 174.824 174.824 176.925 -2.101 25793 5612 1 14 . 1 1 48 48 SER CA C 48 58.531 58.531 61.809 -3.278 25793 5613 1 14 . 1 1 48 48 SER CB C 48 59.837 59.837 62.998 -3.161 25793 5614 1 14 . 1 1 48 48 SER H H 48 7.737 7.737 7.725 0.012 25793 5615 1 14 . 1 1 49 49 THR N N 49 118.158 118.158 117.729 0.429 25793 5616 1 14 . 1 1 49 49 THR HA H 49 3.885 3.885 3.974 -0.089 25793 5617 1 14 . 1 1 49 49 THR C C 49 173.322 173.322 176.223 -2.901 25793 5618 1 14 . 1 1 49 49 THR CA C 49 63.385 63.385 65.483 -2.098 25793 5619 1 14 . 1 1 49 49 THR CB C 49 65.997 65.997 68.871 -2.874 25793 5620 1 14 . 1 1 49 49 THR H H 49 7.784 7.784 7.421 0.363 25793 5621 1 14 . 1 1 50 50 LEU N N 50 118.727 118.727 120.079 -1.352 25793 5622 1 14 . 1 1 50 50 LEU HA H 50 4.050 4.050 4.339 -0.289 25793 5623 1 14 . 1 1 50 50 LEU C C 50 174.153 174.153 177.574 -3.421 25793 5624 1 14 . 1 1 50 50 LEU CA C 50 52.580 52.580 54.965 -2.385 25793 5625 1 14 . 1 1 50 50 LEU CB C 50 39.994 39.994 41.970 -1.976 25793 5626 1 14 . 1 1 50 50 LEU H H 50 7.734 7.734 7.589 0.145 25793 5627 1 14 . 1 1 51 51 GLY N N 51 108.894 108.894 108.349 0.545 25793 5628 1 14 . 1 1 51 51 GLY C C 51 171.597 171.597 173.936 -2.339 25793 5629 1 14 . 1 1 51 51 GLY CA C 51 43.400 43.400 45.629 -2.229 25793 5630 1 14 . 1 1 51 51 GLY H H 51 7.698 7.698 7.787 -0.089 25793 5631 1 14 . 1 1 52 52 LEU N N 52 119.252 119.252 120.011 -0.759 25793 5632 1 14 . 1 1 52 52 LEU HA H 52 4.638 4.638 4.576 0.062 25793 5633 1 14 . 1 1 52 52 LEU C C 52 172.244 172.244 176.306 -4.062 25793 5634 1 14 . 1 1 52 52 LEU CA C 52 50.261 50.261 54.222 -3.961 25793 5635 1 14 . 1 1 52 52 LEU CB C 52 42.411 42.411 44.560 -2.149 25793 5636 1 14 . 1 1 52 52 LEU H H 52 7.661 7.661 7.651 0.010 25793 5637 1 14 . 1 1 53 53 ASP N N 53 121.433 121.433 124.511 -3.078 25793 5638 1 14 . 1 1 53 53 ASP HA H 53 4.658 4.658 4.698 -0.040 25793 5639 1 14 . 1 1 53 53 ASP C C 53 174.204 174.204 177.302 -3.098 25793 5640 1 14 . 1 1 53 53 ASP CA C 53 50.435 50.435 54.901 -4.466 25793 5641 1 14 . 1 1 53 53 ASP CB C 53 40.206 40.206 41.703 -1.497 25793 5642 1 14 . 1 1 53 53 ASP H H 53 8.127 8.127 8.548 -0.421 25793 5643 1 14 . 1 1 54 54 ILE N N 54 125.804 125.804 127.920 -2.116 25793 5644 1 14 . 1 1 54 54 ILE HA H 54 3.797 3.797 3.725 0.072 25793 5645 1 14 . 1 1 54 54 ILE C C 54 176.613 176.613 177.022 -0.409 25793 5646 1 14 . 1 1 54 54 ILE CA C 54 62.133 62.133 64.580 -2.447 25793 5647 1 14 . 1 1 54 54 ILE CB C 54 35.036 35.036 38.575 -3.539 25793 5648 1 14 . 1 1 54 54 ILE H H 54 8.788 8.788 8.838 -0.050 25793 5649 1 14 . 1 1 55 55 GLU N N 55 125.797 125.797 118.723 7.074 25793 5650 1 14 . 1 1 55 55 GLU HA H 55 4.009 4.009 3.940 0.069 25793 5651 1 14 . 1 1 55 55 GLU C C 55 176.730 176.730 178.553 -1.823 25793 5652 1 14 . 1 1 55 55 GLU CA C 55 57.998 57.998 59.990 -1.992 25793 5653 1 14 . 1 1 55 55 GLU CB C 55 25.895 25.895 28.688 -2.793 25793 5654 1 14 . 1 1 55 55 GLU H H 55 8.945 8.945 8.736 0.209 25793 5655 1 14 . 1 1 56 56 THR N N 56 117.286 117.286 114.492 2.794 25793 5656 1 14 . 1 1 56 56 THR HA H 56 3.817 3.817 4.166 -0.349 25793 5657 1 14 . 1 1 56 56 THR C C 56 174.617 174.617 176.098 -1.481 25793 5658 1 14 . 1 1 56 56 THR CA C 56 63.766 63.766 64.696 -0.930 25793 5659 1 14 . 1 1 56 56 THR CB C 56 65.452 65.452 68.579 -3.127 25793 5660 1 14 . 1 1 56 56 THR H H 56 8.240 8.240 7.857 0.383 25793 5661 1 14 . 1 1 57 57 ALA N N 57 125.072 125.072 123.794 1.278 25793 5662 1 14 . 1 1 57 57 ALA HA H 57 4.230 4.230 4.122 0.108 25793 5663 1 14 . 1 1 57 57 ALA C C 57 176.346 176.346 179.180 -2.834 25793 5664 1 14 . 1 1 57 57 ALA CA C 57 52.650 52.650 55.334 -2.684 25793 5665 1 14 . 1 1 57 57 ALA CB C 57 17.400 17.400 18.244 -0.844 25793 5666 1 14 . 1 1 57 57 ALA H H 57 8.121 8.121 8.580 -0.459 25793 5667 1 14 . 1 1 58 58 THR N N 58 115.752 115.752 116.516 -0.764 25793 5668 1 14 . 1 1 58 58 THR HA H 58 3.632 3.632 4.004 -0.372 25793 5669 1 14 . 1 1 58 58 THR C C 58 172.862 172.862 176.893 -4.031 25793 5670 1 14 . 1 1 58 58 THR CA C 58 65.100 65.100 67.514 -2.414 25793 5671 1 14 . 1 1 58 58 THR CB C 58 66.100 66.100 68.770 -2.670 25793 5672 1 14 . 1 1 58 58 THR H H 58 8.381 8.381 8.037 0.344 25793 5673 1 14 . 1 1 59 59 ARG N N 59 120.537 120.537 120.713 -0.176 25793 5674 1 14 . 1 1 59 59 ARG HA H 59 3.911 3.911 3.981 -0.070 25793 5675 1 14 . 1 1 59 59 ARG C C 59 176.099 176.099 178.546 -2.447 25793 5676 1 14 . 1 1 59 59 ARG CA C 59 56.616 56.616 59.331 -2.715 25793 5677 1 14 . 1 1 59 59 ARG CB C 59 27.022 27.022 29.950 -2.928 25793 5678 1 14 . 1 1 59 59 ARG H H 59 7.245 7.245 7.506 -0.261 25793 5679 1 14 . 1 1 60 60 ALA N N 60 121.996 121.996 121.851 0.145 25793 5680 1 14 . 1 1 60 60 ALA HA H 60 4.120 4.120 4.209 -0.089 25793 5681 1 14 . 1 1 60 60 ALA C C 60 178.745 178.745 179.671 -0.926 25793 5682 1 14 . 1 1 60 60 ALA CA C 60 52.000 52.000 54.591 -2.591 25793 5683 1 14 . 1 1 60 60 ALA CB C 60 15.824 15.824 18.561 -2.737 25793 5684 1 14 . 1 1 60 60 ALA H H 60 7.489 7.489 7.762 -0.273 25793 5685 1 14 . 1 1 61 61 GLY N N 61 108.024 108.024 105.606 2.418 25793 5686 1 14 . 1 1 61 61 GLY C C 61 171.515 171.515 175.520 -4.005 25793 5687 1 14 . 1 1 61 61 GLY CA C 61 43.797 43.797 45.859 -2.062 25793 5688 1 14 . 1 1 61 61 GLY H H 61 8.721 8.721 8.302 0.419 25793 5689 1 14 . 1 1 62 62 LYS N N 62 123.393 123.393 121.486 1.907 25793 5690 1 14 . 1 1 62 62 LYS HA H 62 1.780 1.780 2.582 -0.802 25793 5691 1 14 . 1 1 62 62 LYS C C 62 174.612 174.612 178.186 -3.574 25793 5692 1 14 . 1 1 62 62 LYS CA C 62 56.683 56.683 59.046 -2.363 25793 5693 1 14 . 1 1 62 62 LYS CB C 62 29.920 29.920 31.952 -2.032 25793 5694 1 14 . 1 1 62 62 LYS H H 62 7.683 7.683 8.130 -0.447 25793 5695 1 14 . 1 1 63 63 GLN N N 63 114.582 114.582 116.449 -1.867 25793 5696 1 14 . 1 1 63 63 GLN HA H 63 3.920 3.920 3.986 -0.066 25793 5697 1 14 . 1 1 63 63 GLN C C 63 176.294 176.294 178.698 -2.404 25793 5698 1 14 . 1 1 63 63 GLN CA C 63 55.604 55.604 58.397 -2.793 25793 5699 1 14 . 1 1 63 63 GLN CB C 63 25.557 25.557 28.734 -3.177 25793 5700 1 14 . 1 1 63 63 GLN H H 63 6.637 6.637 7.425 -0.788 25793 5701 1 14 . 1 1 64 64 ILE N N 64 119.051 119.051 117.146 1.905 25793 5702 1 14 . 1 1 64 64 ILE HA H 64 3.571 3.571 3.857 -0.286 25793 5703 1 14 . 1 1 64 64 ILE C C 64 175.402 175.402 176.848 -1.446 25793 5704 1 14 . 1 1 64 64 ILE CA C 64 62.529 62.529 63.591 -1.062 25793 5705 1 14 . 1 1 64 64 ILE CB C 64 36.198 36.198 37.842 -1.644 25793 5706 1 14 . 1 1 64 64 ILE H H 64 7.092 7.092 7.290 -0.198 25793 5707 1 14 . 1 1 65 65 VAL N N 65 118.800 118.800 120.342 -1.542 25793 5708 1 14 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.929 -0.543 25793 5709 1 14 . 1 1 65 65 VAL C C 65 174.546 174.546 177.508 -2.962 25793 5710 1 14 . 1 1 65 65 VAL CA C 65 64.500 64.500 63.889 0.611 25793 5711 1 14 . 1 1 65 65 VAL CB C 65 28.300 28.300 31.986 -3.686 25793 5712 1 14 . 1 1 65 65 VAL H H 65 8.103 8.103 7.244 0.859 25793 5713 1 14 . 1 1 66 66 GLU N N 66 118.966 118.966 119.958 -0.992 25793 5714 1 14 . 1 1 66 66 GLU HA H 66 3.810 3.810 4.004 -0.194 25793 5715 1 14 . 1 1 66 66 GLU C C 66 176.292 176.292 179.248 -2.956 25793 5716 1 14 . 1 1 66 66 GLU CA C 66 57.618 57.618 59.749 -2.131 25793 5717 1 14 . 1 1 66 66 GLU CB C 66 26.391 26.391 29.699 -3.308 25793 5718 1 14 . 1 1 66 66 GLU H H 66 8.654 8.654 7.827 0.827 25793 5719 1 14 . 1 1 67 67 ARG N N 67 118.499 118.499 118.025 0.474 25793 5720 1 14 . 1 1 67 67 ARG HA H 67 3.990 3.990 4.011 -0.021 25793 5721 1 14 . 1 1 67 67 ARG C C 67 176.039 176.039 178.918 -2.879 25793 5722 1 14 . 1 1 67 67 ARG CA C 67 56.996 56.996 58.819 -1.823 25793 5723 1 14 . 1 1 67 67 ARG CB C 67 26.783 26.783 29.854 -3.071 25793 5724 1 14 . 1 1 67 67 ARG H H 67 7.270 7.270 8.274 -1.004 25793 5725 1 14 . 1 1 68 68 ILE N N 68 120.031 120.031 117.726 2.305 25793 5726 1 14 . 1 1 68 68 ILE HA H 68 3.721 3.721 3.808 -0.087 25793 5727 1 14 . 1 1 68 68 ILE C C 68 176.061 176.061 176.255 -0.194 25793 5728 1 14 . 1 1 68 68 ILE CA C 68 61.970 61.970 63.847 -1.877 25793 5729 1 14 . 1 1 68 68 ILE CB C 68 35.254 35.254 37.932 -2.678 25793 5730 1 14 . 1 1 68 68 ILE H H 68 7.569 7.569 7.838 -0.269 25793 5731 1 14 . 1 1 69 69 LEU N N 69 118.859 118.859 117.391 1.468 25793 5732 1 14 . 1 1 69 69 LEU HA H 69 4.127 4.127 4.452 -0.325 25793 5733 1 14 . 1 1 69 69 LEU C C 69 176.859 176.859 178.696 -1.837 25793 5734 1 14 . 1 1 69 69 LEU CA C 69 54.525 54.525 56.486 -1.961 25793 5735 1 14 . 1 1 69 69 LEU CB C 69 38.150 38.150 42.571 -4.421 25793 5736 1 14 . 1 1 69 69 LEU H H 69 8.305 8.305 7.291 1.014 25793 5737 1 14 . 1 1 70 70 LYS N N 70 119.685 119.685 118.776 0.909 25793 5738 1 14 . 1 1 70 70 LYS HA H 70 4.098 4.098 4.159 -0.061 25793 5739 1 14 . 1 1 70 70 LYS C C 70 175.484 175.484 178.367 -2.883 25793 5740 1 14 . 1 1 70 70 LYS CA C 70 55.580 55.580 58.502 -2.922 25793 5741 1 14 . 1 1 70 70 LYS CB C 70 29.700 29.700 32.394 -2.694 25793 5742 1 14 . 1 1 70 70 LYS H H 70 7.748 7.748 7.393 0.355 25793 5743 1 14 . 1 1 71 71 GLU N N 71 118.055 118.055 118.336 -0.281 25793 5744 1 14 . 1 1 71 71 GLU HA H 71 4.175 4.175 4.339 -0.164 25793 5745 1 14 . 1 1 71 71 GLU C C 71 174.094 174.094 176.860 -2.766 25793 5746 1 14 . 1 1 71 71 GLU CA C 71 54.411 54.411 57.366 -2.955 25793 5747 1 14 . 1 1 71 71 GLU CB C 71 27.038 27.038 29.393 -2.355 25793 5748 1 14 . 1 1 71 71 GLU H H 71 7.644 7.644 7.952 -0.308 25793 5749 1 14 . 1 1 72 72 GLU N N 72 118.922 118.922 118.103 0.819 25793 5750 1 14 . 1 1 72 72 GLU HA H 72 4.164 4.164 4.373 -0.209 25793 5751 1 14 . 1 1 72 72 GLU C C 72 172.677 172.677 176.468 -3.791 25793 5752 1 14 . 1 1 72 72 GLU CA C 72 53.047 53.047 57.042 -3.995 25793 5753 1 14 . 1 1 72 72 GLU CB C 72 25.297 25.297 30.277 -4.980 25793 5754 1 14 . 1 1 72 72 GLU H H 72 7.603 7.603 8.417 -0.814 25793 5755 1 15 . 1 1 2 2 ASP HA H 2 4.703 4.703 4.924 -0.221 25793 5756 1 15 . 1 1 2 2 ASP C C 2 173.678 173.678 176.660 -2.982 25793 5757 1 15 . 1 1 2 2 ASP CA C 2 51.357 51.357 54.039 -2.682 25793 5758 1 15 . 1 1 2 2 ASP CB C 2 39.114 39.114 42.725 -3.611 25793 5759 1 15 . 1 1 3 3 SER N N 3 118.993 118.993 118.705 0.288 25793 5760 1 15 . 1 1 3 3 SER HA H 3 4.237 4.237 4.015 0.222 25793 5761 1 15 . 1 1 3 3 SER C C 3 173.240 173.240 175.089 -1.849 25793 5762 1 15 . 1 1 3 3 SER CA C 3 57.300 57.300 61.366 -4.066 25793 5763 1 15 . 1 1 3 3 SER CB C 3 60.653 60.653 62.335 -1.682 25793 5764 1 15 . 1 1 3 3 SER H H 3 8.745 8.745 8.941 -0.196 25793 5765 1 15 . 1 1 4 4 ASN N N 4 122.369 122.369 120.129 2.240 25793 5766 1 15 . 1 1 4 4 ASN HA H 4 4.576 4.576 4.867 -0.291 25793 5767 1 15 . 1 1 4 4 ASN C C 4 176.101 176.101 176.612 -0.511 25793 5768 1 15 . 1 1 4 4 ASN CA C 4 52.488 52.488 55.522 -3.034 25793 5769 1 15 . 1 1 4 4 ASN CB C 4 33.507 33.507 39.039 -5.532 25793 5770 1 15 . 1 1 4 4 ASN H H 4 8.865 8.865 8.181 0.684 25793 5771 1 15 . 1 1 5 5 THR N N 5 122.349 122.349 113.694 8.655 25793 5772 1 15 . 1 1 5 5 THR HA H 5 4.330 4.330 4.330 0.000 25793 5773 1 15 . 1 1 5 5 THR C C 5 174.576 174.576 174.901 -0.325 25793 5774 1 15 . 1 1 5 5 THR CA C 5 63.330 63.330 64.134 -0.804 25793 5775 1 15 . 1 1 5 5 THR CB C 5 66.155 66.155 68.956 -2.801 25793 5776 1 15 . 1 1 5 5 THR H H 5 8.200 8.200 8.036 0.164 25793 5777 1 15 . 1 1 6 6 VAL N N 6 124.255 124.255 119.481 4.774 25793 5778 1 15 . 1 1 6 6 VAL HA H 6 3.480 3.480 4.186 -0.706 25793 5779 1 15 . 1 1 6 6 VAL C C 6 174.988 174.988 177.082 -2.094 25793 5780 1 15 . 1 1 6 6 VAL CA C 6 64.919 64.919 63.588 1.331 25793 5781 1 15 . 1 1 6 6 VAL CB C 6 28.699 28.699 31.877 -3.178 25793 5782 1 15 . 1 1 6 6 VAL H H 6 7.590 7.590 7.668 -0.078 25793 5783 1 15 . 1 1 7 7 SER N N 7 116.402 116.402 117.421 -1.019 25793 5784 1 15 . 1 1 7 7 SER HA H 7 4.459 4.459 4.320 0.139 25793 5785 1 15 . 1 1 7 7 SER C C 7 173.494 173.494 176.831 -3.337 25793 5786 1 15 . 1 1 7 7 SER CA C 7 59.174 59.174 61.950 -2.776 25793 5787 1 15 . 1 1 7 7 SER CB C 7 60.020 60.020 62.855 -2.835 25793 5788 1 15 . 1 1 7 7 SER H H 7 8.721 8.721 8.050 0.671 25793 5789 1 15 . 1 1 8 8 SER N N 8 116.463 116.463 116.760 -0.297 25793 5790 1 15 . 1 1 8 8 SER HA H 8 3.745 3.745 4.388 -0.643 25793 5791 1 15 . 1 1 8 8 SER C C 8 171.540 171.540 175.891 -4.351 25793 5792 1 15 . 1 1 8 8 SER CA C 8 60.322 60.322 60.889 -0.567 25793 5793 1 15 . 1 1 8 8 SER CB C 8 60.785 60.785 63.129 -2.344 25793 5794 1 15 . 1 1 8 8 SER H H 8 8.213 8.213 7.836 0.377 25793 5795 1 15 . 1 1 9 9 PHE N N 9 121.530 121.530 123.285 -1.755 25793 5796 1 15 . 1 1 9 9 PHE HA H 9 4.405 4.405 4.549 -0.144 25793 5797 1 15 . 1 1 9 9 PHE C C 9 174.481 174.481 176.679 -2.198 25793 5798 1 15 . 1 1 9 9 PHE CA C 9 58.488 58.488 60.247 -1.759 25793 5799 1 15 . 1 1 9 9 PHE CB C 9 36.397 36.397 39.606 -3.209 25793 5800 1 15 . 1 1 9 9 PHE H H 9 7.387 7.387 7.337 0.050 25793 5801 1 15 . 1 1 10 10 GLN N N 10 119.460 119.460 119.268 0.192 25793 5802 1 15 . 1 1 10 10 GLN HA H 10 3.516 3.516 3.832 -0.316 25793 5803 1 15 . 1 1 10 10 GLN C C 10 176.083 176.083 178.361 -2.278 25793 5804 1 15 . 1 1 10 10 GLN CA C 10 56.595 56.595 59.349 -2.754 25793 5805 1 15 . 1 1 10 10 GLN CB C 10 23.672 23.672 28.865 -5.193 25793 5806 1 15 . 1 1 10 10 GLN H H 10 8.335 8.335 8.177 0.158 25793 5807 1 15 . 1 1 11 11 VAL N N 11 119.513 119.513 119.098 0.415 25793 5808 1 15 . 1 1 11 11 VAL HA H 11 3.300 3.300 3.750 -0.450 25793 5809 1 15 . 1 1 11 11 VAL C C 11 174.535 174.535 177.426 -2.891 25793 5810 1 15 . 1 1 11 11 VAL CA C 11 65.180 65.180 66.959 -1.779 25793 5811 1 15 . 1 1 11 11 VAL CB C 11 28.300 28.300 31.804 -3.504 25793 5812 1 15 . 1 1 11 11 VAL H H 11 8.127 8.127 7.886 0.241 25793 5813 1 15 . 1 1 12 12 ASP N N 12 120.959 120.959 120.898 0.061 25793 5814 1 15 . 1 1 12 12 ASP HA H 12 4.414 4.414 4.481 -0.067 25793 5815 1 15 . 1 1 12 12 ASP C C 12 177.940 177.940 178.514 -0.574 25793 5816 1 15 . 1 1 12 12 ASP CA C 12 55.349 55.349 57.852 -2.503 25793 5817 1 15 . 1 1 12 12 ASP CB C 12 37.275 37.275 40.607 -3.332 25793 5818 1 15 . 1 1 12 12 ASP H H 12 8.116 8.116 7.683 0.433 25793 5819 1 15 . 1 1 13 13 CYS N N 13 119.479 119.479 118.273 1.206 25793 5820 1 15 . 1 1 13 13 CYS HA H 13 4.015 4.015 4.099 -0.084 25793 5821 1 15 . 1 1 13 13 CYS C C 13 175.349 175.349 176.463 -1.114 25793 5822 1 15 . 1 1 13 13 CYS CA C 13 62.384 62.384 63.556 -1.172 25793 5823 1 15 . 1 1 13 13 CYS CB C 13 23.610 23.610 27.206 -3.596 25793 5824 1 15 . 1 1 13 13 CYS H H 13 8.448 8.448 7.948 0.500 25793 5825 1 15 . 1 1 14 14 PHE N N 14 121.085 121.085 121.252 -0.167 25793 5826 1 15 . 1 1 14 14 PHE HA H 14 4.460 4.460 4.275 0.185 25793 5827 1 15 . 1 1 14 14 PHE C C 14 174.143 174.143 176.880 -2.737 25793 5828 1 15 . 1 1 14 14 PHE CA C 14 59.902 59.902 61.318 -1.416 25793 5829 1 15 . 1 1 14 14 PHE CB C 14 35.907 35.907 39.016 -3.109 25793 5830 1 15 . 1 1 14 14 PHE H H 14 8.244 8.244 7.469 0.775 25793 5831 1 15 . 1 1 15 15 LEU N N 15 118.069 118.069 119.396 -1.327 25793 5832 1 15 . 1 1 15 15 LEU HA H 15 3.735 3.735 3.732 0.003 25793 5833 1 15 . 1 1 15 15 LEU C C 15 176.261 176.261 178.763 -2.502 25793 5834 1 15 . 1 1 15 15 LEU CA C 15 55.494 55.494 58.975 -3.481 25793 5835 1 15 . 1 1 15 15 LEU CB C 15 36.676 36.676 41.714 -5.038 25793 5836 1 15 . 1 1 15 15 LEU H H 15 9.072 9.072 8.384 0.688 25793 5837 1 15 . 1 1 16 16 TRP N N 16 120.587 120.587 119.450 1.137 25793 5838 1 15 . 1 1 16 16 TRP HA H 16 3.660 3.660 4.277 -0.617 25793 5839 1 15 . 1 1 16 16 TRP C C 16 173.925 173.925 178.037 -4.112 25793 5840 1 15 . 1 1 16 16 TRP CA C 16 61.127 61.127 61.681 -0.554 25793 5841 1 15 . 1 1 16 16 TRP CB C 16 26.247 26.247 29.721 -3.474 25793 5842 1 15 . 1 1 16 16 TRP H H 16 8.142 8.142 8.409 -0.267 25793 5843 1 15 . 1 1 17 17 HIS N N 17 117.927 117.927 118.400 -0.473 25793 5844 1 15 . 1 1 17 17 HIS HA H 17 4.022 4.022 4.467 -0.445 25793 5845 1 15 . 1 1 17 17 HIS C C 17 173.650 173.650 176.879 -3.229 25793 5846 1 15 . 1 1 17 17 HIS CA C 17 57.350 57.350 59.303 -1.953 25793 5847 1 15 . 1 1 17 17 HIS CB C 17 25.231 25.231 29.867 -4.636 25793 5848 1 15 . 1 1 17 17 HIS H H 17 7.697 7.697 7.644 0.053 25793 5849 1 15 . 1 1 18 18 VAL N N 18 118.787 118.787 119.552 -0.765 25793 5850 1 15 . 1 1 18 18 VAL HA H 18 2.949 2.949 3.458 -0.509 25793 5851 1 15 . 1 1 18 18 VAL C C 18 174.321 174.321 177.623 -3.302 25793 5852 1 15 . 1 1 18 18 VAL CA C 18 64.400 64.400 66.042 -1.642 25793 5853 1 15 . 1 1 18 18 VAL CB C 18 28.400 28.400 31.451 -3.051 25793 5854 1 15 . 1 1 18 18 VAL H H 18 7.651 7.651 7.581 0.070 25793 5855 1 15 . 1 1 19 19 ARG N N 19 118.108 118.108 118.428 -0.320 25793 5856 1 15 . 1 1 19 19 ARG HA H 19 3.661 3.661 4.065 -0.404 25793 5857 1 15 . 1 1 19 19 ARG C C 19 174.575 174.575 178.223 -3.648 25793 5858 1 15 . 1 1 19 19 ARG CA C 19 57.558 57.558 59.155 -1.597 25793 5859 1 15 . 1 1 19 19 ARG CB C 19 28.140 28.140 29.814 -1.674 25793 5860 1 15 . 1 1 19 19 ARG H H 19 7.602 7.602 7.463 0.139 25793 5861 1 15 . 1 1 20 20 LYS N N 20 121.889 121.889 119.307 2.582 25793 5862 1 15 . 1 1 20 20 LYS HA H 20 3.530 3.530 4.068 -0.538 25793 5863 1 15 . 1 1 20 20 LYS C C 20 174.970 174.970 178.784 -3.814 25793 5864 1 15 . 1 1 20 20 LYS CA C 20 55.292 55.292 57.934 -2.642 25793 5865 1 15 . 1 1 20 20 LYS CB C 20 28.420 28.420 32.287 -3.867 25793 5866 1 15 . 1 1 20 20 LYS H H 20 8.304 8.304 7.728 0.576 25793 5867 1 15 . 1 1 21 21 ARG N N 21 118.825 118.825 118.298 0.527 25793 5868 1 15 . 1 1 21 21 ARG HA H 21 3.915 3.915 4.129 -0.214 25793 5869 1 15 . 1 1 21 21 ARG C C 21 176.513 176.513 177.270 -0.757 25793 5870 1 15 . 1 1 21 21 ARG CA C 21 55.003 55.003 58.507 -3.504 25793 5871 1 15 . 1 1 21 21 ARG CB C 21 26.002 26.002 30.275 -4.273 25793 5872 1 15 . 1 1 21 21 ARG H H 21 7.772 7.772 7.525 0.247 25793 5873 1 15 . 1 1 22 22 PHE N N 22 120.501 120.501 119.292 1.209 25793 5874 1 15 . 1 1 22 22 PHE HA H 22 3.899 3.899 4.357 -0.458 25793 5875 1 15 . 1 1 22 22 PHE C C 22 173.880 173.880 176.124 -2.244 25793 5876 1 15 . 1 1 22 22 PHE CA C 22 58.542 58.542 60.054 -1.512 25793 5877 1 15 . 1 1 22 22 PHE CB C 22 35.961 35.961 39.580 -3.619 25793 5878 1 15 . 1 1 22 22 PHE H H 22 7.799 7.799 7.535 0.264 25793 5879 1 15 . 1 1 23 23 ALA N N 23 123.040 123.040 121.605 1.435 25793 5880 1 15 . 1 1 23 23 ALA HA H 23 3.720 3.720 4.068 -0.348 25793 5881 1 15 . 1 1 23 23 ALA C C 23 179.545 179.545 179.900 -0.355 25793 5882 1 15 . 1 1 23 23 ALA CA C 23 51.750 51.750 54.826 -3.076 25793 5883 1 15 . 1 1 23 23 ALA CB C 23 15.970 15.970 18.352 -2.382 25793 5884 1 15 . 1 1 23 23 ALA H H 23 8.627 8.627 8.160 0.467 25793 5885 1 15 . 1 1 24 24 ASP N N 24 121.514 121.514 117.670 3.844 25793 5886 1 15 . 1 1 24 24 ASP HA H 24 4.323 4.323 4.519 -0.196 25793 5887 1 15 . 1 1 24 24 ASP C C 24 175.020 175.020 177.181 -2.161 25793 5888 1 15 . 1 1 24 24 ASP CA C 24 53.645 53.645 56.314 -2.669 25793 5889 1 15 . 1 1 24 24 ASP CB C 24 37.158 37.158 40.775 -3.617 25793 5890 1 15 . 1 1 24 24 ASP H H 24 8.846 8.846 7.905 0.941 25793 5891 1 15 . 1 1 25 25 GLN N N 25 118.127 118.127 117.398 0.729 25793 5892 1 15 . 1 1 25 25 GLN HA H 25 4.159 4.159 4.321 -0.162 25793 5893 1 15 . 1 1 25 25 GLN C C 25 171.680 171.680 174.830 -3.150 25793 5894 1 15 . 1 1 25 25 GLN CA C 25 53.101 53.101 55.561 -2.460 25793 5895 1 15 . 1 1 25 25 GLN CB C 25 25.351 25.351 29.968 -4.617 25793 5896 1 15 . 1 1 25 25 GLN H H 25 7.192 7.192 7.405 -0.213 25793 5897 1 15 . 1 1 26 26 GLU N N 26 112.361 112.361 117.516 -5.155 25793 5898 1 15 . 1 1 26 26 GLU HA H 26 3.906 3.906 3.876 0.030 25793 5899 1 15 . 1 1 26 26 GLU C C 26 173.060 173.060 174.649 -1.589 25793 5900 1 15 . 1 1 26 26 GLU CA C 26 54.352 54.352 56.979 -2.627 25793 5901 1 15 . 1 1 26 26 GLU CB C 26 22.759 22.759 27.938 -5.179 25793 5902 1 15 . 1 1 26 26 GLU H H 26 7.975 7.975 7.715 0.260 25793 5903 1 15 . 1 1 27 27 LEU N N 27 115.873 115.873 121.347 -5.474 25793 5904 1 15 . 1 1 27 27 LEU HA H 27 4.043 4.043 4.220 -0.177 25793 5905 1 15 . 1 1 27 27 LEU C C 27 172.610 172.610 176.570 -3.960 25793 5906 1 15 . 1 1 27 27 LEU CA C 27 50.921 50.921 54.094 -3.173 25793 5907 1 15 . 1 1 27 27 LEU CB C 27 40.359 40.359 41.277 -0.918 25793 5908 1 15 . 1 1 27 27 LEU H H 27 5.781 5.781 7.421 -1.640 25793 5909 1 15 . 1 1 28 28 GLY N N 28 103.011 103.011 112.931 -9.920 25793 5910 1 15 . 1 1 28 28 GLY C C 28 172.297 172.297 173.219 -0.922 25793 5911 1 15 . 1 1 28 28 GLY CA C 28 41.348 41.348 44.092 -2.744 25793 5912 1 15 . 1 1 28 28 GLY H H 28 7.785 7.785 8.179 -0.394 25793 5913 1 15 . 1 1 29 29 ASP N N 29 122.671 122.671 119.537 3.134 25793 5914 1 15 . 1 1 29 29 ASP HA H 29 4.720 4.720 4.777 -0.057 25793 5915 1 15 . 1 1 29 29 ASP C C 29 172.137 172.137 177.883 -5.746 25793 5916 1 15 . 1 1 29 29 ASP CA C 29 48.748 48.748 53.387 -4.639 25793 5917 1 15 . 1 1 29 29 ASP CB C 29 38.519 38.519 41.728 -3.209 25793 5918 1 15 . 1 1 29 29 ASP H H 29 7.515 7.515 8.272 -0.757 25793 5919 1 15 . 1 1 30 30 ALA N N 30 119.757 119.757 123.158 -3.401 25793 5920 1 15 . 1 1 30 30 ALA HA H 30 4.240 4.240 4.246 -0.006 25793 5921 1 15 . 1 1 30 30 ALA CA C 30 54.400 54.400 55.107 -0.707 25793 5922 1 15 . 1 1 30 30 ALA CB C 30 12.540 12.540 16.897 -4.357 25793 5923 1 15 . 1 1 30 30 ALA H H 30 8.492 8.492 8.557 -0.065 25793 5924 1 15 . 1 1 31 31 PRO HA H 31 4.361 4.361 4.512 -0.151 25793 5925 1 15 . 1 1 31 31 PRO C C 31 175.699 175.699 178.003 -2.304 25793 5926 1 15 . 1 1 31 31 PRO CA C 31 63.220 63.220 64.559 -1.339 25793 5927 1 15 . 1 1 31 31 PRO CB C 31 28.336 28.336 31.368 -3.032 25793 5928 1 15 . 1 1 32 32 PHE N N 32 119.824 119.824 118.326 1.498 25793 5929 1 15 . 1 1 32 32 PHE HA H 32 3.885 3.885 4.270 -0.385 25793 5930 1 15 . 1 1 32 32 PHE C C 32 176.949 176.949 177.216 -0.267 25793 5931 1 15 . 1 1 32 32 PHE CA C 32 59.685 59.685 61.846 -2.161 25793 5932 1 15 . 1 1 32 32 PHE CB C 32 36.778 36.778 39.290 -2.512 25793 5933 1 15 . 1 1 32 32 PHE H H 32 7.949 7.949 7.670 0.279 25793 5934 1 15 . 1 1 33 33 LEU N N 33 121.755 121.755 119.497 2.258 25793 5935 1 15 . 1 1 33 33 LEU HA H 33 4.063 4.063 3.985 0.078 25793 5936 1 15 . 1 1 33 33 LEU C C 33 176.490 176.490 178.499 -2.009 25793 5937 1 15 . 1 1 33 33 LEU CA C 33 54.968 54.968 58.162 -3.194 25793 5938 1 15 . 1 1 33 33 LEU CB C 33 38.335 38.335 41.837 -3.502 25793 5939 1 15 . 1 1 33 33 LEU H H 33 8.386 8.386 7.682 0.704 25793 5940 1 15 . 1 1 34 34 ASP N N 34 121.771 121.771 119.843 1.928 25793 5941 1 15 . 1 1 34 34 ASP HA H 34 4.399 4.399 4.323 0.076 25793 5942 1 15 . 1 1 34 34 ASP C C 34 176.196 176.196 178.971 -2.775 25793 5943 1 15 . 1 1 34 34 ASP CA C 34 54.871 54.871 58.012 -3.141 25793 5944 1 15 . 1 1 34 34 ASP CB C 34 38.471 38.471 40.709 -2.238 25793 5945 1 15 . 1 1 34 34 ASP H H 34 8.252 8.252 7.604 0.648 25793 5946 1 15 . 1 1 35 35 ARG N N 35 119.119 119.119 119.178 -0.059 25793 5947 1 15 . 1 1 35 35 ARG HA H 35 3.818 3.818 3.988 -0.170 25793 5948 1 15 . 1 1 35 35 ARG C C 35 175.752 175.752 178.764 -3.012 25793 5949 1 15 . 1 1 35 35 ARG CA C 35 57.302 57.302 59.144 -1.842 25793 5950 1 15 . 1 1 35 35 ARG CB C 35 27.486 27.486 30.193 -2.707 25793 5951 1 15 . 1 1 35 35 ARG H H 35 8.197 8.197 7.876 0.321 25793 5952 1 15 . 1 1 36 36 LEU N N 36 120.940 120.940 120.066 0.874 25793 5953 1 15 . 1 1 36 36 LEU HA H 36 3.872 3.872 4.112 -0.240 25793 5954 1 15 . 1 1 36 36 LEU C C 36 177.676 177.676 178.993 -1.317 25793 5955 1 15 . 1 1 36 36 LEU CA C 36 55.818 55.818 58.321 -2.503 25793 5956 1 15 . 1 1 36 36 LEU CB C 36 40.156 40.156 41.983 -1.827 25793 5957 1 15 . 1 1 36 36 LEU H H 36 7.735 7.735 7.942 -0.207 25793 5958 1 15 . 1 1 37 37 ARG N N 37 120.596 120.596 117.846 2.750 25793 5959 1 15 . 1 1 37 37 ARG HA H 37 4.241 4.241 4.029 0.212 25793 5960 1 15 . 1 1 37 37 ARG C C 37 174.571 174.571 178.900 -4.329 25793 5961 1 15 . 1 1 37 37 ARG CA C 37 56.891 56.891 59.747 -2.856 25793 5962 1 15 . 1 1 37 37 ARG CB C 37 27.936 27.936 29.859 -1.923 25793 5963 1 15 . 1 1 37 37 ARG H H 37 8.006 8.006 7.662 0.344 25793 5964 1 15 . 1 1 38 38 ARG N N 38 121.436 121.436 118.586 2.850 25793 5965 1 15 . 1 1 38 38 ARG HA H 38 3.987 3.987 4.084 -0.097 25793 5966 1 15 . 1 1 38 38 ARG C C 38 177.290 177.290 178.085 -0.795 25793 5967 1 15 . 1 1 38 38 ARG CA C 38 57.131 57.131 59.170 -2.039 25793 5968 1 15 . 1 1 38 38 ARG CB C 38 27.450 27.450 30.153 -2.703 25793 5969 1 15 . 1 1 38 38 ARG H H 38 8.307 8.307 7.574 0.733 25793 5970 1 15 . 1 1 39 39 ASP N N 39 120.034 120.034 117.787 2.247 25793 5971 1 15 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.692 -0.163 25793 5972 1 15 . 1 1 39 39 ASP C C 39 174.864 174.864 177.957 -3.093 25793 5973 1 15 . 1 1 39 39 ASP CA C 39 53.700 53.700 56.650 -2.950 25793 5974 1 15 . 1 1 39 39 ASP CB C 39 37.158 37.158 42.053 -4.895 25793 5975 1 15 . 1 1 39 39 ASP H H 39 8.737 8.737 7.678 1.059 25793 5976 1 15 . 1 1 40 40 GLN N N 40 121.853 121.853 119.519 2.334 25793 5977 1 15 . 1 1 40 40 GLN HA H 40 2.999 2.999 3.322 -0.323 25793 5978 1 15 . 1 1 40 40 GLN C C 40 175.010 175.010 177.806 -2.796 25793 5979 1 15 . 1 1 40 40 GLN CA C 40 56.747 56.747 58.609 -1.862 25793 5980 1 15 . 1 1 40 40 GLN CB C 40 25.196 25.196 28.157 -2.962 25793 5981 1 15 . 1 1 40 40 GLN H H 40 7.954 7.954 8.240 -0.286 25793 5982 1 15 . 1 1 41 41 LYS N N 41 117.346 117.346 119.947 -2.601 25793 5983 1 15 . 1 1 41 41 LYS HA H 41 3.914 3.914 4.041 -0.127 25793 5984 1 15 . 1 1 41 41 LYS C C 41 177.117 177.117 179.339 -2.222 25793 5985 1 15 . 1 1 41 41 LYS CA C 41 56.689 56.689 59.066 -2.377 25793 5986 1 15 . 1 1 41 41 LYS CB C 41 29.446 29.446 31.939 -2.493 25793 5987 1 15 . 1 1 41 41 LYS H H 41 7.014 7.014 7.520 -0.506 25793 5988 1 15 . 1 1 42 42 SER N N 42 115.844 115.844 116.325 -0.481 25793 5989 1 15 . 1 1 42 42 SER HA H 42 4.262 4.262 4.284 -0.022 25793 5990 1 15 . 1 1 42 42 SER C C 42 175.262 175.262 176.307 -1.045 25793 5991 1 15 . 1 1 42 42 SER CA C 42 58.256 58.256 61.038 -2.781 25793 5992 1 15 . 1 1 42 42 SER CB C 42 59.683 59.683 62.906 -3.223 25793 5993 1 15 . 1 1 42 42 SER H H 42 7.875 7.875 7.579 0.296 25793 5994 1 15 . 1 1 43 43 LEU N N 43 123.254 123.254 122.224 1.030 25793 5995 1 15 . 1 1 43 43 LEU HA H 43 4.082 4.082 4.117 -0.035 25793 5996 1 15 . 1 1 43 43 LEU C C 43 176.505 176.505 179.216 -2.711 25793 5997 1 15 . 1 1 43 43 LEU CA C 43 55.621 55.621 57.452 -1.831 25793 5998 1 15 . 1 1 43 43 LEU CB C 43 38.460 38.460 41.190 -2.729 25793 5999 1 15 . 1 1 43 43 LEU H H 43 8.736 8.736 8.264 0.472 25793 6000 1 15 . 1 1 44 44 ARG N N 44 118.877 118.877 117.843 1.034 25793 6001 1 15 . 1 1 44 44 ARG HA H 44 4.011 4.011 4.035 -0.024 25793 6002 1 15 . 1 1 44 44 ARG C C 44 177.379 177.379 179.051 -1.672 25793 6003 1 15 . 1 1 44 44 ARG CA C 44 56.911 56.911 59.516 -2.605 25793 6004 1 15 . 1 1 44 44 ARG CB C 44 26.602 26.602 30.106 -3.504 25793 6005 1 15 . 1 1 44 44 ARG H H 44 7.686 7.686 7.907 -0.221 25793 6006 1 15 . 1 1 45 45 GLY N N 45 107.372 107.372 106.110 1.262 25793 6007 1 15 . 1 1 45 45 GLY C C 45 173.935 173.935 175.797 -1.862 25793 6008 1 15 . 1 1 45 45 GLY CA C 45 44.395 44.395 46.327 -1.932 25793 6009 1 15 . 1 1 45 45 GLY H H 45 7.762 7.762 7.963 -0.201 25793 6010 1 15 . 1 1 46 46 ARG N N 46 123.780 123.780 121.598 2.182 25793 6011 1 15 . 1 1 46 46 ARG HA H 46 3.902 3.902 4.050 -0.148 25793 6012 1 15 . 1 1 46 46 ARG C C 46 175.910 175.910 178.087 -2.177 25793 6013 1 15 . 1 1 46 46 ARG CA C 46 56.375 56.375 58.349 -1.974 25793 6014 1 15 . 1 1 46 46 ARG CB C 46 28.851 28.851 30.147 -1.296 25793 6015 1 15 . 1 1 46 46 ARG H H 46 8.381 8.381 7.639 0.742 25793 6016 1 15 . 1 1 47 47 GLY N N 47 107.330 107.330 107.180 0.150 25793 6017 1 15 . 1 1 47 47 GLY C C 47 173.406 173.406 175.745 -2.339 25793 6018 1 15 . 1 1 47 47 GLY CA C 47 45.429 45.429 46.730 -1.301 25793 6019 1 15 . 1 1 47 47 GLY H H 47 8.782 8.782 7.769 1.013 25793 6020 1 15 . 1 1 48 48 SER N N 48 116.214 116.214 117.238 -1.024 25793 6021 1 15 . 1 1 48 48 SER HA H 48 4.200 4.200 4.103 0.097 25793 6022 1 15 . 1 1 48 48 SER C C 48 174.824 174.824 176.960 -2.136 25793 6023 1 15 . 1 1 48 48 SER CA C 48 58.531 58.531 61.675 -3.144 25793 6024 1 15 . 1 1 48 48 SER CB C 48 59.837 59.837 63.055 -3.218 25793 6025 1 15 . 1 1 48 48 SER H H 48 7.737 7.737 7.609 0.128 25793 6026 1 15 . 1 1 49 49 THR N N 49 118.158 118.158 117.414 0.744 25793 6027 1 15 . 1 1 49 49 THR HA H 49 3.885 3.885 3.985 -0.100 25793 6028 1 15 . 1 1 49 49 THR C C 49 173.322 173.322 175.992 -2.670 25793 6029 1 15 . 1 1 49 49 THR CA C 49 63.385 63.385 64.972 -1.587 25793 6030 1 15 . 1 1 49 49 THR CB C 49 65.997 65.997 68.792 -2.795 25793 6031 1 15 . 1 1 49 49 THR H H 49 7.784 7.784 7.383 0.402 25793 6032 1 15 . 1 1 50 50 LEU N N 50 118.727 118.727 120.231 -1.504 25793 6033 1 15 . 1 1 50 50 LEU HA H 50 4.050 4.050 4.368 -0.318 25793 6034 1 15 . 1 1 50 50 LEU C C 50 174.153 174.153 177.673 -3.520 25793 6035 1 15 . 1 1 50 50 LEU CA C 50 52.580 52.580 54.945 -2.365 25793 6036 1 15 . 1 1 50 50 LEU CB C 50 39.994 39.994 42.119 -2.125 25793 6037 1 15 . 1 1 50 50 LEU H H 50 7.734 7.734 7.500 0.234 25793 6038 1 15 . 1 1 51 51 GLY N N 51 108.894 108.894 108.397 0.497 25793 6039 1 15 . 1 1 51 51 GLY C C 51 171.597 171.597 173.895 -2.298 25793 6040 1 15 . 1 1 51 51 GLY CA C 51 43.400 43.400 45.616 -2.216 25793 6041 1 15 . 1 1 51 51 GLY H H 51 7.698 7.698 7.786 -0.088 25793 6042 1 15 . 1 1 52 52 LEU N N 52 119.252 119.252 120.151 -0.899 25793 6043 1 15 . 1 1 52 52 LEU HA H 52 4.638 4.638 4.569 0.069 25793 6044 1 15 . 1 1 52 52 LEU C C 52 172.244 172.244 176.433 -4.189 25793 6045 1 15 . 1 1 52 52 LEU CA C 52 50.261 50.261 54.135 -3.874 25793 6046 1 15 . 1 1 52 52 LEU CB C 52 42.411 42.411 44.351 -1.940 25793 6047 1 15 . 1 1 52 52 LEU H H 52 7.661 7.661 7.645 0.016 25793 6048 1 15 . 1 1 53 53 ASP N N 53 121.433 121.433 124.653 -3.220 25793 6049 1 15 . 1 1 53 53 ASP HA H 53 4.658 4.658 4.697 -0.039 25793 6050 1 15 . 1 1 53 53 ASP C C 53 174.204 174.204 177.253 -3.049 25793 6051 1 15 . 1 1 53 53 ASP CA C 53 50.435 50.435 55.034 -4.599 25793 6052 1 15 . 1 1 53 53 ASP CB C 53 40.206 40.206 41.953 -1.747 25793 6053 1 15 . 1 1 53 53 ASP H H 53 8.127 8.127 8.579 -0.452 25793 6054 1 15 . 1 1 54 54 ILE N N 54 125.804 125.804 127.761 -1.957 25793 6055 1 15 . 1 1 54 54 ILE HA H 54 3.797 3.797 3.703 0.094 25793 6056 1 15 . 1 1 54 54 ILE C C 54 176.613 176.613 177.125 -0.512 25793 6057 1 15 . 1 1 54 54 ILE CA C 54 62.133 62.133 64.490 -2.357 25793 6058 1 15 . 1 1 54 54 ILE CB C 54 35.036 35.036 38.624 -3.588 25793 6059 1 15 . 1 1 54 54 ILE H H 54 8.788 8.788 8.835 -0.047 25793 6060 1 15 . 1 1 55 55 GLU N N 55 125.797 125.797 119.291 6.506 25793 6061 1 15 . 1 1 55 55 GLU HA H 55 4.009 4.009 3.904 0.105 25793 6062 1 15 . 1 1 55 55 GLU C C 55 176.730 176.730 178.635 -1.905 25793 6063 1 15 . 1 1 55 55 GLU CA C 55 57.998 57.998 60.055 -2.057 25793 6064 1 15 . 1 1 55 55 GLU CB C 55 25.895 25.895 28.896 -3.001 25793 6065 1 15 . 1 1 55 55 GLU H H 55 8.945 8.945 8.731 0.214 25793 6066 1 15 . 1 1 56 56 THR N N 56 117.286 117.286 114.302 2.984 25793 6067 1 15 . 1 1 56 56 THR HA H 56 3.817 3.817 4.143 -0.326 25793 6068 1 15 . 1 1 56 56 THR C C 56 174.617 174.617 175.814 -1.197 25793 6069 1 15 . 1 1 56 56 THR CA C 56 63.766 63.766 64.944 -1.178 25793 6070 1 15 . 1 1 56 56 THR CB C 56 65.452 65.452 68.652 -3.200 25793 6071 1 15 . 1 1 56 56 THR H H 56 8.240 8.240 7.893 0.347 25793 6072 1 15 . 1 1 57 57 ALA N N 57 125.072 125.072 123.548 1.524 25793 6073 1 15 . 1 1 57 57 ALA HA H 57 4.230 4.230 4.131 0.099 25793 6074 1 15 . 1 1 57 57 ALA C C 57 176.346 176.346 179.205 -2.859 25793 6075 1 15 . 1 1 57 57 ALA CA C 57 52.650 52.650 55.191 -2.541 25793 6076 1 15 . 1 1 57 57 ALA CB C 57 17.400 17.400 18.159 -0.759 25793 6077 1 15 . 1 1 57 57 ALA H H 57 8.121 8.121 8.507 -0.386 25793 6078 1 15 . 1 1 58 58 THR N N 58 115.752 115.752 116.560 -0.808 25793 6079 1 15 . 1 1 58 58 THR HA H 58 3.632 3.632 4.018 -0.386 25793 6080 1 15 . 1 1 58 58 THR C C 58 172.862 172.862 176.838 -3.976 25793 6081 1 15 . 1 1 58 58 THR CA C 58 65.100 65.100 67.541 -2.441 25793 6082 1 15 . 1 1 58 58 THR CB C 58 66.100 66.100 68.769 -2.669 25793 6083 1 15 . 1 1 58 58 THR H H 58 8.381 8.381 7.952 0.429 25793 6084 1 15 . 1 1 59 59 ARG N N 59 120.537 120.537 120.214 0.323 25793 6085 1 15 . 1 1 59 59 ARG HA H 59 3.911 3.911 3.838 0.073 25793 6086 1 15 . 1 1 59 59 ARG C C 59 176.099 176.099 178.502 -2.403 25793 6087 1 15 . 1 1 59 59 ARG CA C 59 56.616 56.616 59.764 -3.148 25793 6088 1 15 . 1 1 59 59 ARG CB C 59 27.022 27.022 29.916 -2.893 25793 6089 1 15 . 1 1 59 59 ARG H H 59 7.245 7.245 7.599 -0.354 25793 6090 1 15 . 1 1 60 60 ALA N N 60 121.996 121.996 121.085 0.911 25793 6091 1 15 . 1 1 60 60 ALA HA H 60 4.120 4.120 4.132 -0.012 25793 6092 1 15 . 1 1 60 60 ALA C C 60 178.745 178.745 179.805 -1.060 25793 6093 1 15 . 1 1 60 60 ALA CA C 60 52.000 52.000 54.744 -2.744 25793 6094 1 15 . 1 1 60 60 ALA CB C 60 15.824 15.824 18.336 -2.512 25793 6095 1 15 . 1 1 60 60 ALA H H 60 7.489 7.489 7.723 -0.234 25793 6096 1 15 . 1 1 61 61 GLY N N 61 108.024 108.024 105.479 2.545 25793 6097 1 15 . 1 1 61 61 GLY C C 61 171.515 171.515 175.546 -4.031 25793 6098 1 15 . 1 1 61 61 GLY CA C 61 43.797 43.797 45.814 -2.017 25793 6099 1 15 . 1 1 61 61 GLY H H 61 8.721 8.721 8.182 0.539 25793 6100 1 15 . 1 1 62 62 LYS N N 62 123.393 123.393 121.152 2.241 25793 6101 1 15 . 1 1 62 62 LYS HA H 62 1.780 1.780 2.519 -0.739 25793 6102 1 15 . 1 1 62 62 LYS C C 62 174.612 174.612 178.120 -3.508 25793 6103 1 15 . 1 1 62 62 LYS CA C 62 56.683 56.683 58.829 -2.146 25793 6104 1 15 . 1 1 62 62 LYS CB C 62 29.920 29.920 32.124 -2.204 25793 6105 1 15 . 1 1 62 62 LYS H H 62 7.683 7.683 7.943 -0.260 25793 6106 1 15 . 1 1 63 63 GLN N N 63 114.582 114.582 116.433 -1.851 25793 6107 1 15 . 1 1 63 63 GLN HA H 63 3.920 3.920 3.995 -0.075 25793 6108 1 15 . 1 1 63 63 GLN C C 63 176.294 176.294 178.563 -2.269 25793 6109 1 15 . 1 1 63 63 GLN CA C 63 55.604 55.604 58.356 -2.752 25793 6110 1 15 . 1 1 63 63 GLN CB C 63 25.557 25.557 28.766 -3.209 25793 6111 1 15 . 1 1 63 63 GLN H H 63 6.637 6.637 7.400 -0.763 25793 6112 1 15 . 1 1 64 64 ILE N N 64 119.051 119.051 116.632 2.419 25793 6113 1 15 . 1 1 64 64 ILE HA H 64 3.571 3.571 3.844 -0.273 25793 6114 1 15 . 1 1 64 64 ILE C C 64 175.402 175.402 177.014 -1.612 25793 6115 1 15 . 1 1 64 64 ILE CA C 64 62.529 62.529 63.378 -0.849 25793 6116 1 15 . 1 1 64 64 ILE CB C 64 36.198 36.198 37.698 -1.500 25793 6117 1 15 . 1 1 64 64 ILE H H 64 7.092 7.092 7.239 -0.147 25793 6118 1 15 . 1 1 65 65 VAL N N 65 118.800 118.800 119.624 -0.824 25793 6119 1 15 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.900 -0.514 25793 6120 1 15 . 1 1 65 65 VAL C C 65 174.546 174.546 177.117 -2.571 25793 6121 1 15 . 1 1 65 65 VAL CA C 65 64.500 64.500 64.326 0.174 25793 6122 1 15 . 1 1 65 65 VAL CB C 65 28.300 28.300 31.834 -3.534 25793 6123 1 15 . 1 1 65 65 VAL H H 65 8.103 8.103 7.210 0.893 25793 6124 1 15 . 1 1 66 66 GLU N N 66 118.966 118.966 119.824 -0.858 25793 6125 1 15 . 1 1 66 66 GLU HA H 66 3.810 3.810 4.052 -0.242 25793 6126 1 15 . 1 1 66 66 GLU C C 66 176.292 176.292 179.452 -3.160 25793 6127 1 15 . 1 1 66 66 GLU CA C 66 57.618 57.618 59.426 -1.808 25793 6128 1 15 . 1 1 66 66 GLU CB C 66 26.391 26.391 29.687 -3.296 25793 6129 1 15 . 1 1 66 66 GLU H H 66 8.654 8.654 7.672 0.982 25793 6130 1 15 . 1 1 67 67 ARG N N 67 118.499 118.499 117.476 1.023 25793 6131 1 15 . 1 1 67 67 ARG HA H 67 3.990 3.990 4.041 -0.051 25793 6132 1 15 . 1 1 67 67 ARG C C 67 176.039 176.039 178.468 -2.429 25793 6133 1 15 . 1 1 67 67 ARG CA C 67 56.996 56.996 58.877 -1.881 25793 6134 1 15 . 1 1 67 67 ARG CB C 67 26.783 26.783 29.934 -3.151 25793 6135 1 15 . 1 1 67 67 ARG H H 67 7.270 7.270 8.594 -1.324 25793 6136 1 15 . 1 1 68 68 ILE N N 68 120.031 120.031 114.190 5.841 25793 6137 1 15 . 1 1 68 68 ILE HA H 68 3.721 3.721 3.979 -0.258 25793 6138 1 15 . 1 1 68 68 ILE C C 68 176.061 176.061 176.841 -0.780 25793 6139 1 15 . 1 1 68 68 ILE CA C 68 61.970 61.970 63.667 -1.697 25793 6140 1 15 . 1 1 68 68 ILE CB C 68 35.254 35.254 37.627 -2.373 25793 6141 1 15 . 1 1 68 68 ILE H H 68 7.569 7.569 7.492 0.077 25793 6142 1 15 . 1 1 69 69 LEU N N 69 118.859 118.859 122.130 -3.271 25793 6143 1 15 . 1 1 69 69 LEU HA H 69 4.127 4.127 4.629 -0.502 25793 6144 1 15 . 1 1 69 69 LEU C C 69 176.859 176.859 178.792 -1.933 25793 6145 1 15 . 1 1 69 69 LEU CA C 69 54.525 54.525 57.287 -2.762 25793 6146 1 15 . 1 1 69 69 LEU CB C 69 38.150 38.150 42.482 -4.332 25793 6147 1 15 . 1 1 69 69 LEU H H 69 8.305 8.305 7.682 0.623 25793 6148 1 15 . 1 1 70 70 LYS N N 70 119.685 119.685 118.740 0.945 25793 6149 1 15 . 1 1 70 70 LYS HA H 70 4.098 4.098 4.182 -0.084 25793 6150 1 15 . 1 1 70 70 LYS C C 70 175.484 175.484 177.827 -2.343 25793 6151 1 15 . 1 1 70 70 LYS CA C 70 55.580 55.580 58.969 -3.389 25793 6152 1 15 . 1 1 70 70 LYS CB C 70 29.700 29.700 32.395 -2.695 25793 6153 1 15 . 1 1 70 70 LYS H H 70 7.748 7.748 7.606 0.142 25793 6154 1 15 . 1 1 71 71 GLU N N 71 118.055 118.055 117.611 0.444 25793 6155 1 15 . 1 1 71 71 GLU HA H 71 4.175 4.175 4.383 -0.208 25793 6156 1 15 . 1 1 71 71 GLU C C 71 174.094 174.094 176.451 -2.357 25793 6157 1 15 . 1 1 71 71 GLU CA C 71 54.411 54.411 57.184 -2.773 25793 6158 1 15 . 1 1 71 71 GLU CB C 71 27.038 27.038 31.516 -4.478 25793 6159 1 15 . 1 1 71 71 GLU H H 71 7.644 7.644 8.096 -0.452 25793 6160 1 15 . 1 1 72 72 GLU N N 72 118.922 118.922 120.143 -1.221 25793 6161 1 15 . 1 1 72 72 GLU HA H 72 4.164 4.164 4.626 -0.462 25793 6162 1 15 . 1 1 72 72 GLU C C 72 172.677 172.677 174.994 -2.317 25793 6163 1 15 . 1 1 72 72 GLU CA C 72 53.047 53.047 55.846 -2.799 25793 6164 1 15 . 1 1 72 72 GLU CB C 72 25.297 25.297 32.391 -7.093 25793 6165 1 15 . 1 1 72 72 GLU H H 72 7.603 7.603 7.943 -0.340 25793 6166 1 16 . 1 1 2 2 ASP HA H 2 4.703 4.703 4.891 -0.188 25793 6167 1 16 . 1 1 2 2 ASP C C 2 173.678 173.678 175.080 -1.402 25793 6168 1 16 . 1 1 2 2 ASP CA C 2 51.357 51.357 54.249 -2.892 25793 6169 1 16 . 1 1 2 2 ASP CB C 2 39.114 39.114 42.334 -3.220 25793 6170 1 16 . 1 1 3 3 SER N N 3 118.993 118.993 119.005 -0.012 25793 6171 1 16 . 1 1 3 3 SER HA H 3 4.237 4.237 4.440 -0.203 25793 6172 1 16 . 1 1 3 3 SER C C 3 173.240 173.240 175.497 -2.257 25793 6173 1 16 . 1 1 3 3 SER CA C 3 57.300 57.300 60.166 -2.865 25793 6174 1 16 . 1 1 3 3 SER CB C 3 60.653 60.653 64.473 -3.820 25793 6175 1 16 . 1 1 3 3 SER H H 3 8.745 8.745 8.846 -0.101 25793 6176 1 16 . 1 1 4 4 ASN N N 4 122.369 122.369 119.775 2.594 25793 6177 1 16 . 1 1 4 4 ASN HA H 4 4.576 4.576 4.776 -0.200 25793 6178 1 16 . 1 1 4 4 ASN C C 4 176.101 176.101 176.928 -0.827 25793 6179 1 16 . 1 1 4 4 ASN CA C 4 52.488 52.488 55.680 -3.192 25793 6180 1 16 . 1 1 4 4 ASN CB C 4 33.507 33.507 38.523 -5.016 25793 6181 1 16 . 1 1 4 4 ASN H H 4 8.865 8.865 8.835 0.030 25793 6182 1 16 . 1 1 5 5 THR N N 5 122.349 122.349 116.054 6.295 25793 6183 1 16 . 1 1 5 5 THR HA H 5 4.330 4.330 4.293 0.037 25793 6184 1 16 . 1 1 5 5 THR C C 5 174.576 174.576 175.463 -0.887 25793 6185 1 16 . 1 1 5 5 THR CA C 5 63.330 63.330 65.061 -1.731 25793 6186 1 16 . 1 1 5 5 THR CB C 5 66.155 66.155 68.653 -2.498 25793 6187 1 16 . 1 1 5 5 THR H H 5 8.200 8.200 8.177 0.023 25793 6188 1 16 . 1 1 6 6 VAL N N 6 124.255 124.255 119.394 4.861 25793 6189 1 16 . 1 1 6 6 VAL HA H 6 3.480 3.480 3.983 -0.503 25793 6190 1 16 . 1 1 6 6 VAL C C 6 174.988 174.988 177.481 -2.493 25793 6191 1 16 . 1 1 6 6 VAL CA C 6 64.919 64.919 64.776 0.143 25793 6192 1 16 . 1 1 6 6 VAL CB C 6 28.699 28.699 31.875 -3.176 25793 6193 1 16 . 1 1 6 6 VAL H H 6 7.590 7.590 8.012 -0.422 25793 6194 1 16 . 1 1 7 7 SER N N 7 116.402 116.402 116.497 -0.095 25793 6195 1 16 . 1 1 7 7 SER HA H 7 4.459 4.459 4.237 0.222 25793 6196 1 16 . 1 1 7 7 SER C C 7 173.494 173.494 176.778 -3.284 25793 6197 1 16 . 1 1 7 7 SER CA C 7 59.174 59.174 62.430 -3.256 25793 6198 1 16 . 1 1 7 7 SER CB C 7 60.020 60.020 62.904 -2.884 25793 6199 1 16 . 1 1 7 7 SER H H 7 8.721 8.721 7.950 0.771 25793 6200 1 16 . 1 1 8 8 SER N N 8 116.463 116.463 117.146 -0.683 25793 6201 1 16 . 1 1 8 8 SER HA H 8 3.745 3.745 4.356 -0.611 25793 6202 1 16 . 1 1 8 8 SER C C 8 171.540 171.540 176.140 -4.600 25793 6203 1 16 . 1 1 8 8 SER CA C 8 60.322 60.322 61.197 -0.875 25793 6204 1 16 . 1 1 8 8 SER CB C 8 60.785 60.785 63.353 -2.568 25793 6205 1 16 . 1 1 8 8 SER H H 8 8.213 8.213 7.759 0.454 25793 6206 1 16 . 1 1 9 9 PHE N N 9 121.530 121.530 123.645 -2.115 25793 6207 1 16 . 1 1 9 9 PHE HA H 9 4.405 4.405 4.504 -0.099 25793 6208 1 16 . 1 1 9 9 PHE C C 9 174.481 174.481 176.898 -2.417 25793 6209 1 16 . 1 1 9 9 PHE CA C 9 58.488 58.488 60.415 -1.927 25793 6210 1 16 . 1 1 9 9 PHE CB C 9 36.397 36.397 39.571 -3.174 25793 6211 1 16 . 1 1 9 9 PHE H H 9 7.387 7.387 7.370 0.017 25793 6212 1 16 . 1 1 10 10 GLN N N 10 119.460 119.460 119.227 0.233 25793 6213 1 16 . 1 1 10 10 GLN HA H 10 3.516 3.516 3.852 -0.336 25793 6214 1 16 . 1 1 10 10 GLN C C 10 176.083 176.083 178.657 -2.574 25793 6215 1 16 . 1 1 10 10 GLN CA C 10 56.595 56.595 59.079 -2.484 25793 6216 1 16 . 1 1 10 10 GLN CB C 10 23.672 23.672 28.786 -5.114 25793 6217 1 16 . 1 1 10 10 GLN H H 10 8.335 8.335 8.326 0.009 25793 6218 1 16 . 1 1 11 11 VAL N N 11 119.513 119.513 120.380 -0.867 25793 6219 1 16 . 1 1 11 11 VAL HA H 11 3.300 3.300 3.861 -0.561 25793 6220 1 16 . 1 1 11 11 VAL C C 11 174.535 174.535 177.098 -2.563 25793 6221 1 16 . 1 1 11 11 VAL CA C 11 65.180 65.180 66.506 -1.326 25793 6222 1 16 . 1 1 11 11 VAL CB C 11 28.300 28.300 31.371 -3.071 25793 6223 1 16 . 1 1 11 11 VAL H H 11 8.127 8.127 8.019 0.108 25793 6224 1 16 . 1 1 12 12 ASP N N 12 120.959 120.959 121.091 -0.132 25793 6225 1 16 . 1 1 12 12 ASP HA H 12 4.414 4.414 4.477 -0.063 25793 6226 1 16 . 1 1 12 12 ASP C C 12 177.940 177.940 178.531 -0.591 25793 6227 1 16 . 1 1 12 12 ASP CA C 12 55.349 55.349 57.912 -2.563 25793 6228 1 16 . 1 1 12 12 ASP CB C 12 37.275 37.275 40.731 -3.456 25793 6229 1 16 . 1 1 12 12 ASP H H 12 8.116 8.116 7.709 0.407 25793 6230 1 16 . 1 1 13 13 CYS N N 13 119.479 119.479 118.297 1.182 25793 6231 1 16 . 1 1 13 13 CYS HA H 13 4.015 4.015 4.110 -0.095 25793 6232 1 16 . 1 1 13 13 CYS C C 13 175.349 175.349 176.582 -1.233 25793 6233 1 16 . 1 1 13 13 CYS CA C 13 62.384 62.384 63.847 -1.463 25793 6234 1 16 . 1 1 13 13 CYS CB C 13 23.610 23.610 27.519 -3.909 25793 6235 1 16 . 1 1 13 13 CYS H H 13 8.448 8.448 7.930 0.518 25793 6236 1 16 . 1 1 14 14 PHE N N 14 121.085 121.085 121.397 -0.312 25793 6237 1 16 . 1 1 14 14 PHE HA H 14 4.460 4.460 4.290 0.170 25793 6238 1 16 . 1 1 14 14 PHE C C 14 174.143 174.143 176.977 -2.834 25793 6239 1 16 . 1 1 14 14 PHE CA C 14 59.902 59.902 60.893 -0.991 25793 6240 1 16 . 1 1 14 14 PHE CB C 14 35.907 35.907 38.978 -3.071 25793 6241 1 16 . 1 1 14 14 PHE H H 14 8.244 8.244 7.665 0.579 25793 6242 1 16 . 1 1 15 15 LEU N N 15 118.069 118.069 119.572 -1.503 25793 6243 1 16 . 1 1 15 15 LEU HA H 15 3.735 3.735 3.761 -0.026 25793 6244 1 16 . 1 1 15 15 LEU C C 15 176.261 176.261 178.732 -2.471 25793 6245 1 16 . 1 1 15 15 LEU CA C 15 55.494 55.494 58.867 -3.373 25793 6246 1 16 . 1 1 15 15 LEU CB C 15 36.676 36.676 41.659 -4.983 25793 6247 1 16 . 1 1 15 15 LEU H H 15 9.072 9.072 8.308 0.764 25793 6248 1 16 . 1 1 16 16 TRP N N 16 120.587 120.587 120.103 0.484 25793 6249 1 16 . 1 1 16 16 TRP HA H 16 3.660 3.660 4.277 -0.617 25793 6250 1 16 . 1 1 16 16 TRP C C 16 173.925 173.925 177.815 -3.890 25793 6251 1 16 . 1 1 16 16 TRP CA C 16 61.127 61.127 61.517 -0.391 25793 6252 1 16 . 1 1 16 16 TRP CB C 16 26.247 26.247 29.549 -3.302 25793 6253 1 16 . 1 1 16 16 TRP H H 16 8.142 8.142 8.490 -0.348 25793 6254 1 16 . 1 1 17 17 HIS N N 17 117.927 117.927 118.515 -0.588 25793 6255 1 16 . 1 1 17 17 HIS HA H 17 4.022 4.022 4.082 -0.060 25793 6256 1 16 . 1 1 17 17 HIS C C 17 173.650 173.650 176.827 -3.177 25793 6257 1 16 . 1 1 17 17 HIS CA C 17 57.350 57.350 59.502 -2.152 25793 6258 1 16 . 1 1 17 17 HIS CB C 17 25.231 25.231 29.818 -4.587 25793 6259 1 16 . 1 1 17 17 HIS H H 17 7.697 7.697 7.568 0.129 25793 6260 1 16 . 1 1 18 18 VAL N N 18 118.787 118.787 119.472 -0.685 25793 6261 1 16 . 1 1 18 18 VAL HA H 18 2.949 2.949 3.443 -0.494 25793 6262 1 16 . 1 1 18 18 VAL C C 18 174.321 174.321 177.633 -3.312 25793 6263 1 16 . 1 1 18 18 VAL CA C 18 64.400 64.400 66.164 -1.764 25793 6264 1 16 . 1 1 18 18 VAL CB C 18 28.400 28.400 31.321 -2.921 25793 6265 1 16 . 1 1 18 18 VAL H H 18 7.651 7.651 7.704 -0.053 25793 6266 1 16 . 1 1 19 19 ARG N N 19 118.108 118.108 118.615 -0.507 25793 6267 1 16 . 1 1 19 19 ARG HA H 19 3.661 3.661 4.098 -0.437 25793 6268 1 16 . 1 1 19 19 ARG C C 19 174.575 174.575 178.370 -3.795 25793 6269 1 16 . 1 1 19 19 ARG CA C 19 57.558 57.558 59.316 -1.758 25793 6270 1 16 . 1 1 19 19 ARG CB C 19 28.140 28.140 30.004 -1.864 25793 6271 1 16 . 1 1 19 19 ARG H H 19 7.602 7.602 7.567 0.035 25793 6272 1 16 . 1 1 20 20 LYS N N 20 121.889 121.889 119.001 2.888 25793 6273 1 16 . 1 1 20 20 LYS HA H 20 3.530 3.530 3.957 -0.427 25793 6274 1 16 . 1 1 20 20 LYS C C 20 174.970 174.970 178.842 -3.872 25793 6275 1 16 . 1 1 20 20 LYS CA C 20 55.292 55.292 57.628 -2.336 25793 6276 1 16 . 1 1 20 20 LYS CB C 20 28.420 28.420 31.751 -3.331 25793 6277 1 16 . 1 1 20 20 LYS H H 20 8.304 8.304 7.754 0.550 25793 6278 1 16 . 1 1 21 21 ARG N N 21 118.825 118.825 118.134 0.691 25793 6279 1 16 . 1 1 21 21 ARG HA H 21 3.915 3.915 4.082 -0.167 25793 6280 1 16 . 1 1 21 21 ARG C C 21 176.513 176.513 177.291 -0.778 25793 6281 1 16 . 1 1 21 21 ARG CA C 21 55.003 55.003 58.423 -3.420 25793 6282 1 16 . 1 1 21 21 ARG CB C 21 26.002 26.002 30.262 -4.260 25793 6283 1 16 . 1 1 21 21 ARG H H 21 7.772 7.772 7.394 0.378 25793 6284 1 16 . 1 1 22 22 PHE N N 22 120.501 120.501 119.529 0.972 25793 6285 1 16 . 1 1 22 22 PHE HA H 22 3.899 3.899 4.336 -0.437 25793 6286 1 16 . 1 1 22 22 PHE C C 22 173.880 173.880 176.132 -2.252 25793 6287 1 16 . 1 1 22 22 PHE CA C 22 58.542 58.542 60.065 -1.523 25793 6288 1 16 . 1 1 22 22 PHE CB C 22 35.961 35.961 39.554 -3.593 25793 6289 1 16 . 1 1 22 22 PHE H H 22 7.799 7.799 7.485 0.314 25793 6290 1 16 . 1 1 23 23 ALA N N 23 123.040 123.040 121.247 1.793 25793 6291 1 16 . 1 1 23 23 ALA HA H 23 3.720 3.720 4.026 -0.306 25793 6292 1 16 . 1 1 23 23 ALA C C 23 179.545 179.545 179.846 -0.301 25793 6293 1 16 . 1 1 23 23 ALA CA C 23 51.750 51.750 54.827 -3.077 25793 6294 1 16 . 1 1 23 23 ALA CB C 23 15.970 15.970 18.311 -2.341 25793 6295 1 16 . 1 1 23 23 ALA H H 23 8.627 8.627 8.303 0.324 25793 6296 1 16 . 1 1 24 24 ASP N N 24 121.514 121.514 117.559 3.955 25793 6297 1 16 . 1 1 24 24 ASP HA H 24 4.323 4.323 4.492 -0.169 25793 6298 1 16 . 1 1 24 24 ASP C C 24 175.020 175.020 177.122 -2.102 25793 6299 1 16 . 1 1 24 24 ASP CA C 24 53.645 53.645 56.256 -2.611 25793 6300 1 16 . 1 1 24 24 ASP CB C 24 37.158 37.158 40.728 -3.570 25793 6301 1 16 . 1 1 24 24 ASP H H 24 8.846 8.846 7.890 0.956 25793 6302 1 16 . 1 1 25 25 GLN N N 25 118.127 118.127 117.318 0.809 25793 6303 1 16 . 1 1 25 25 GLN HA H 25 4.159 4.159 4.306 -0.147 25793 6304 1 16 . 1 1 25 25 GLN C C 25 171.680 171.680 174.795 -3.115 25793 6305 1 16 . 1 1 25 25 GLN CA C 25 53.101 53.101 55.580 -2.479 25793 6306 1 16 . 1 1 25 25 GLN CB C 25 25.351 25.351 30.026 -4.675 25793 6307 1 16 . 1 1 25 25 GLN H H 25 7.192 7.192 7.237 -0.045 25793 6308 1 16 . 1 1 26 26 GLU N N 26 112.361 112.361 117.884 -5.523 25793 6309 1 16 . 1 1 26 26 GLU HA H 26 3.906 3.906 3.874 0.032 25793 6310 1 16 . 1 1 26 26 GLU C C 26 173.060 173.060 174.585 -1.525 25793 6311 1 16 . 1 1 26 26 GLU CA C 26 54.352 54.352 56.881 -2.529 25793 6312 1 16 . 1 1 26 26 GLU CB C 26 22.759 22.759 28.012 -5.253 25793 6313 1 16 . 1 1 26 26 GLU H H 26 7.975 7.975 7.675 0.300 25793 6314 1 16 . 1 1 27 27 LEU N N 27 115.873 115.873 121.722 -5.849 25793 6315 1 16 . 1 1 27 27 LEU HA H 27 4.043 4.043 4.274 -0.231 25793 6316 1 16 . 1 1 27 27 LEU C C 27 172.610 172.610 176.605 -3.995 25793 6317 1 16 . 1 1 27 27 LEU CA C 27 50.921 50.921 53.947 -3.026 25793 6318 1 16 . 1 1 27 27 LEU CB C 27 40.359 40.359 41.392 -1.033 25793 6319 1 16 . 1 1 27 27 LEU H H 27 5.781 5.781 7.424 -1.643 25793 6320 1 16 . 1 1 28 28 GLY N N 28 103.011 103.011 112.885 -9.874 25793 6321 1 16 . 1 1 28 28 GLY C C 28 172.297 172.297 173.401 -1.104 25793 6322 1 16 . 1 1 28 28 GLY CA C 28 41.348 41.348 44.130 -2.782 25793 6323 1 16 . 1 1 28 28 GLY H H 28 7.785 7.785 8.200 -0.415 25793 6324 1 16 . 1 1 29 29 ASP N N 29 122.671 122.671 119.732 2.939 25793 6325 1 16 . 1 1 29 29 ASP HA H 29 4.720 4.720 4.815 -0.095 25793 6326 1 16 . 1 1 29 29 ASP C C 29 172.137 172.137 177.684 -5.547 25793 6327 1 16 . 1 1 29 29 ASP CA C 29 48.748 48.748 53.340 -4.592 25793 6328 1 16 . 1 1 29 29 ASP CB C 29 38.519 38.519 42.132 -3.613 25793 6329 1 16 . 1 1 29 29 ASP H H 29 7.515 7.515 8.372 -0.857 25793 6330 1 16 . 1 1 30 30 ALA N N 30 119.757 119.757 123.301 -3.544 25793 6331 1 16 . 1 1 30 30 ALA HA H 30 4.240 4.240 4.261 -0.021 25793 6332 1 16 . 1 1 30 30 ALA CA C 30 54.400 54.400 55.240 -0.840 25793 6333 1 16 . 1 1 30 30 ALA CB C 30 12.540 12.540 17.052 -4.512 25793 6334 1 16 . 1 1 30 30 ALA H H 30 8.492 8.492 8.627 -0.135 25793 6335 1 16 . 1 1 31 31 PRO HA H 31 4.361 4.361 4.502 -0.141 25793 6336 1 16 . 1 1 31 31 PRO C C 31 175.699 175.699 177.977 -2.278 25793 6337 1 16 . 1 1 31 31 PRO CA C 31 63.220 63.220 64.537 -1.317 25793 6338 1 16 . 1 1 31 31 PRO CB C 31 28.336 28.336 31.328 -2.992 25793 6339 1 16 . 1 1 32 32 PHE N N 32 119.824 119.824 118.276 1.548 25793 6340 1 16 . 1 1 32 32 PHE HA H 32 3.885 3.885 4.300 -0.415 25793 6341 1 16 . 1 1 32 32 PHE C C 32 176.949 176.949 177.227 -0.278 25793 6342 1 16 . 1 1 32 32 PHE CA C 32 59.685 59.685 61.721 -2.036 25793 6343 1 16 . 1 1 32 32 PHE CB C 32 36.778 36.778 39.360 -2.582 25793 6344 1 16 . 1 1 32 32 PHE H H 32 7.949 7.949 7.671 0.278 25793 6345 1 16 . 1 1 33 33 LEU N N 33 121.755 121.755 119.688 2.067 25793 6346 1 16 . 1 1 33 33 LEU HA H 33 4.063 4.063 4.013 0.050 25793 6347 1 16 . 1 1 33 33 LEU C C 33 176.490 176.490 178.236 -1.746 25793 6348 1 16 . 1 1 33 33 LEU CA C 33 54.968 54.968 58.121 -3.153 25793 6349 1 16 . 1 1 33 33 LEU CB C 33 38.335 38.335 41.898 -3.563 25793 6350 1 16 . 1 1 33 33 LEU H H 33 8.386 8.386 7.755 0.631 25793 6351 1 16 . 1 1 34 34 ASP N N 34 121.771 121.771 119.860 1.911 25793 6352 1 16 . 1 1 34 34 ASP HA H 34 4.399 4.399 4.346 0.053 25793 6353 1 16 . 1 1 34 34 ASP C C 34 176.196 176.196 179.047 -2.851 25793 6354 1 16 . 1 1 34 34 ASP CA C 34 54.871 54.871 58.015 -3.144 25793 6355 1 16 . 1 1 34 34 ASP CB C 34 38.471 38.471 40.724 -2.253 25793 6356 1 16 . 1 1 34 34 ASP H H 34 8.252 8.252 7.599 0.653 25793 6357 1 16 . 1 1 35 35 ARG N N 35 119.119 119.119 119.413 -0.294 25793 6358 1 16 . 1 1 35 35 ARG HA H 35 3.818 3.818 3.941 -0.123 25793 6359 1 16 . 1 1 35 35 ARG C C 35 175.752 175.752 178.428 -2.676 25793 6360 1 16 . 1 1 35 35 ARG CA C 35 57.302 57.302 59.125 -1.823 25793 6361 1 16 . 1 1 35 35 ARG CB C 35 27.486 27.486 30.247 -2.760 25793 6362 1 16 . 1 1 35 35 ARG H H 35 8.197 8.197 7.872 0.325 25793 6363 1 16 . 1 1 36 36 LEU N N 36 120.940 120.940 120.013 0.927 25793 6364 1 16 . 1 1 36 36 LEU HA H 36 3.872 3.872 4.097 -0.225 25793 6365 1 16 . 1 1 36 36 LEU C C 36 177.676 177.676 178.948 -1.272 25793 6366 1 16 . 1 1 36 36 LEU CA C 36 55.818 55.818 58.245 -2.427 25793 6367 1 16 . 1 1 36 36 LEU CB C 36 40.156 40.156 42.037 -1.881 25793 6368 1 16 . 1 1 36 36 LEU H H 36 7.735 7.735 7.888 -0.153 25793 6369 1 16 . 1 1 37 37 ARG N N 37 120.596 120.596 117.797 2.799 25793 6370 1 16 . 1 1 37 37 ARG HA H 37 4.241 4.241 4.022 0.219 25793 6371 1 16 . 1 1 37 37 ARG C C 37 174.571 174.571 178.876 -4.305 25793 6372 1 16 . 1 1 37 37 ARG CA C 37 56.891 56.891 59.725 -2.834 25793 6373 1 16 . 1 1 37 37 ARG CB C 37 27.936 27.936 29.856 -1.920 25793 6374 1 16 . 1 1 37 37 ARG H H 37 8.006 8.006 7.645 0.361 25793 6375 1 16 . 1 1 38 38 ARG N N 38 121.436 121.436 119.020 2.416 25793 6376 1 16 . 1 1 38 38 ARG HA H 38 3.987 3.987 4.062 -0.075 25793 6377 1 16 . 1 1 38 38 ARG C C 38 177.290 177.290 178.173 -0.883 25793 6378 1 16 . 1 1 38 38 ARG CA C 38 57.131 57.131 59.060 -1.929 25793 6379 1 16 . 1 1 38 38 ARG CB C 38 27.450 27.450 30.255 -2.805 25793 6380 1 16 . 1 1 38 38 ARG H H 38 8.307 8.307 7.587 0.720 25793 6381 1 16 . 1 1 39 39 ASP N N 39 120.034 120.034 117.588 2.446 25793 6382 1 16 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.634 -0.105 25793 6383 1 16 . 1 1 39 39 ASP C C 39 174.864 174.864 178.039 -3.175 25793 6384 1 16 . 1 1 39 39 ASP CA C 39 53.700 53.700 57.047 -3.347 25793 6385 1 16 . 1 1 39 39 ASP CB C 39 37.158 37.158 41.498 -4.340 25793 6386 1 16 . 1 1 39 39 ASP H H 39 8.737 8.737 7.693 1.044 25793 6387 1 16 . 1 1 40 40 GLN N N 40 121.853 121.853 119.367 2.486 25793 6388 1 16 . 1 1 40 40 GLN HA H 40 2.999 2.999 3.604 -0.605 25793 6389 1 16 . 1 1 40 40 GLN C C 40 175.010 175.010 177.880 -2.870 25793 6390 1 16 . 1 1 40 40 GLN CA C 40 56.747 56.747 58.732 -1.985 25793 6391 1 16 . 1 1 40 40 GLN CB C 40 25.196 25.196 28.416 -3.220 25793 6392 1 16 . 1 1 40 40 GLN H H 40 7.954 7.954 8.201 -0.247 25793 6393 1 16 . 1 1 41 41 LYS N N 41 117.346 117.346 119.990 -2.644 25793 6394 1 16 . 1 1 41 41 LYS HA H 41 3.914 3.914 4.043 -0.129 25793 6395 1 16 . 1 1 41 41 LYS C C 41 177.117 177.117 179.291 -2.174 25793 6396 1 16 . 1 1 41 41 LYS CA C 41 56.689 56.689 59.043 -2.354 25793 6397 1 16 . 1 1 41 41 LYS CB C 41 29.446 29.446 31.906 -2.460 25793 6398 1 16 . 1 1 41 41 LYS H H 41 7.014 7.014 7.553 -0.539 25793 6399 1 16 . 1 1 42 42 SER N N 42 115.844 115.844 116.354 -0.510 25793 6400 1 16 . 1 1 42 42 SER HA H 42 4.262 4.262 4.298 -0.036 25793 6401 1 16 . 1 1 42 42 SER C C 42 175.262 175.262 176.467 -1.205 25793 6402 1 16 . 1 1 42 42 SER CA C 42 58.256 58.256 61.168 -2.912 25793 6403 1 16 . 1 1 42 42 SER CB C 42 59.683 59.683 62.916 -3.233 25793 6404 1 16 . 1 1 42 42 SER H H 42 7.875 7.875 7.654 0.221 25793 6405 1 16 . 1 1 43 43 LEU N N 43 123.254 123.254 122.711 0.543 25793 6406 1 16 . 1 1 43 43 LEU HA H 43 4.082 4.082 4.065 0.017 25793 6407 1 16 . 1 1 43 43 LEU C C 43 176.505 176.505 178.886 -2.381 25793 6408 1 16 . 1 1 43 43 LEU CA C 43 55.621 55.621 58.394 -2.773 25793 6409 1 16 . 1 1 43 43 LEU CB C 43 38.460 38.460 41.987 -3.527 25793 6410 1 16 . 1 1 43 43 LEU H H 43 8.736 8.736 8.275 0.461 25793 6411 1 16 . 1 1 44 44 ARG N N 44 118.877 118.877 117.762 1.115 25793 6412 1 16 . 1 1 44 44 ARG HA H 44 4.011 4.011 4.013 -0.002 25793 6413 1 16 . 1 1 44 44 ARG C C 44 177.379 177.379 178.983 -1.604 25793 6414 1 16 . 1 1 44 44 ARG CA C 44 56.911 56.911 59.475 -2.564 25793 6415 1 16 . 1 1 44 44 ARG CB C 44 26.602 26.602 30.056 -3.454 25793 6416 1 16 . 1 1 44 44 ARG H H 44 7.686 7.686 7.876 -0.190 25793 6417 1 16 . 1 1 45 45 GLY N N 45 107.372 107.372 106.098 1.274 25793 6418 1 16 . 1 1 45 45 GLY C C 45 173.935 173.935 175.736 -1.801 25793 6419 1 16 . 1 1 45 45 GLY CA C 45 44.395 44.395 46.357 -1.962 25793 6420 1 16 . 1 1 45 45 GLY H H 45 7.762 7.762 8.035 -0.273 25793 6421 1 16 . 1 1 46 46 ARG N N 46 123.780 123.780 121.731 2.049 25793 6422 1 16 . 1 1 46 46 ARG HA H 46 3.902 3.902 4.288 -0.386 25793 6423 1 16 . 1 1 46 46 ARG C C 46 175.910 175.910 179.219 -3.309 25793 6424 1 16 . 1 1 46 46 ARG CA C 46 56.375 56.375 58.152 -1.777 25793 6425 1 16 . 1 1 46 46 ARG CB C 46 28.851 28.851 30.196 -1.345 25793 6426 1 16 . 1 1 46 46 ARG H H 46 8.381 8.381 7.570 0.811 25793 6427 1 16 . 1 1 47 47 GLY N N 47 107.330 107.330 108.248 -0.918 25793 6428 1 16 . 1 1 47 47 GLY C C 47 173.406 173.406 175.349 -1.943 25793 6429 1 16 . 1 1 47 47 GLY CA C 47 45.429 45.429 46.849 -1.421 25793 6430 1 16 . 1 1 47 47 GLY H H 47 8.782 8.782 7.811 0.971 25793 6431 1 16 . 1 1 48 48 SER N N 48 116.214 116.214 117.671 -1.457 25793 6432 1 16 . 1 1 48 48 SER HA H 48 4.200 4.200 4.066 0.134 25793 6433 1 16 . 1 1 48 48 SER C C 48 174.824 174.824 177.061 -2.237 25793 6434 1 16 . 1 1 48 48 SER CA C 48 58.531 58.531 61.786 -3.255 25793 6435 1 16 . 1 1 48 48 SER CB C 48 59.837 59.837 63.122 -3.285 25793 6436 1 16 . 1 1 48 48 SER H H 48 7.737 7.737 7.633 0.104 25793 6437 1 16 . 1 1 49 49 THR N N 49 118.158 118.158 117.711 0.447 25793 6438 1 16 . 1 1 49 49 THR HA H 49 3.885 3.885 3.945 -0.060 25793 6439 1 16 . 1 1 49 49 THR C C 49 173.322 173.322 176.155 -2.833 25793 6440 1 16 . 1 1 49 49 THR CA C 49 63.385 63.385 64.748 -1.363 25793 6441 1 16 . 1 1 49 49 THR CB C 49 65.997 65.997 68.784 -2.787 25793 6442 1 16 . 1 1 49 49 THR H H 49 7.784 7.784 7.451 0.333 25793 6443 1 16 . 1 1 50 50 LEU N N 50 118.727 118.727 120.684 -1.957 25793 6444 1 16 . 1 1 50 50 LEU HA H 50 4.050 4.050 4.282 -0.232 25793 6445 1 16 . 1 1 50 50 LEU C C 50 174.153 174.153 177.520 -3.367 25793 6446 1 16 . 1 1 50 50 LEU CA C 50 52.580 52.580 54.942 -2.362 25793 6447 1 16 . 1 1 50 50 LEU CB C 50 39.994 39.994 42.297 -2.303 25793 6448 1 16 . 1 1 50 50 LEU H H 50 7.734 7.734 7.695 0.039 25793 6449 1 16 . 1 1 51 51 GLY N N 51 108.894 108.894 107.474 1.420 25793 6450 1 16 . 1 1 51 51 GLY C C 51 171.597 171.597 174.130 -2.533 25793 6451 1 16 . 1 1 51 51 GLY CA C 51 43.400 43.400 45.380 -1.980 25793 6452 1 16 . 1 1 51 51 GLY H H 51 7.698 7.698 7.689 0.009 25793 6453 1 16 . 1 1 52 52 LEU N N 52 119.252 119.252 120.164 -0.912 25793 6454 1 16 . 1 1 52 52 LEU HA H 52 4.638 4.638 4.575 0.063 25793 6455 1 16 . 1 1 52 52 LEU C C 52 172.244 172.244 176.420 -4.176 25793 6456 1 16 . 1 1 52 52 LEU CA C 52 50.261 50.261 54.163 -3.902 25793 6457 1 16 . 1 1 52 52 LEU CB C 52 42.411 42.411 44.495 -2.084 25793 6458 1 16 . 1 1 52 52 LEU H H 52 7.661 7.661 7.674 -0.013 25793 6459 1 16 . 1 1 53 53 ASP N N 53 121.433 121.433 124.347 -2.914 25793 6460 1 16 . 1 1 53 53 ASP HA H 53 4.658 4.658 4.692 -0.034 25793 6461 1 16 . 1 1 53 53 ASP C C 53 174.204 174.204 177.268 -3.064 25793 6462 1 16 . 1 1 53 53 ASP CA C 53 50.435 50.435 55.059 -4.623 25793 6463 1 16 . 1 1 53 53 ASP CB C 53 40.206 40.206 41.988 -1.782 25793 6464 1 16 . 1 1 53 53 ASP H H 53 8.127 8.127 8.548 -0.421 25793 6465 1 16 . 1 1 54 54 ILE N N 54 125.804 125.804 127.387 -1.583 25793 6466 1 16 . 1 1 54 54 ILE HA H 54 3.797 3.797 3.724 0.073 25793 6467 1 16 . 1 1 54 54 ILE C C 54 176.613 176.613 177.207 -0.594 25793 6468 1 16 . 1 1 54 54 ILE CA C 54 62.133 62.133 64.414 -2.281 25793 6469 1 16 . 1 1 54 54 ILE CB C 54 35.036 35.036 38.622 -3.586 25793 6470 1 16 . 1 1 54 54 ILE H H 54 8.788 8.788 8.809 -0.021 25793 6471 1 16 . 1 1 55 55 GLU N N 55 125.797 125.797 119.104 6.693 25793 6472 1 16 . 1 1 55 55 GLU HA H 55 4.009 4.009 3.979 0.030 25793 6473 1 16 . 1 1 55 55 GLU C C 55 176.730 176.730 179.208 -2.478 25793 6474 1 16 . 1 1 55 55 GLU CA C 55 57.998 57.998 59.892 -1.894 25793 6475 1 16 . 1 1 55 55 GLU CB C 55 25.895 25.895 29.001 -3.106 25793 6476 1 16 . 1 1 55 55 GLU H H 55 8.945 8.945 8.709 0.236 25793 6477 1 16 . 1 1 56 56 THR N N 56 117.286 117.286 114.720 2.566 25793 6478 1 16 . 1 1 56 56 THR HA H 56 3.817 3.817 4.039 -0.222 25793 6479 1 16 . 1 1 56 56 THR C C 56 174.617 174.617 175.844 -1.227 25793 6480 1 16 . 1 1 56 56 THR CA C 56 63.766 63.766 65.434 -1.668 25793 6481 1 16 . 1 1 56 56 THR CB C 56 65.452 65.452 68.404 -2.952 25793 6482 1 16 . 1 1 56 56 THR H H 56 8.240 8.240 8.180 0.060 25793 6483 1 16 . 1 1 57 57 ALA N N 57 125.072 125.072 122.882 2.190 25793 6484 1 16 . 1 1 57 57 ALA HA H 57 4.230 4.230 4.170 0.060 25793 6485 1 16 . 1 1 57 57 ALA C C 57 176.346 176.346 179.044 -2.698 25793 6486 1 16 . 1 1 57 57 ALA CA C 57 52.650 52.650 54.889 -2.239 25793 6487 1 16 . 1 1 57 57 ALA CB C 57 17.400 17.400 18.448 -1.048 25793 6488 1 16 . 1 1 57 57 ALA H H 57 8.121 8.121 8.082 0.039 25793 6489 1 16 . 1 1 58 58 THR N N 58 115.752 115.752 110.838 4.914 25793 6490 1 16 . 1 1 58 58 THR HA H 58 3.632 3.632 4.127 -0.495 25793 6491 1 16 . 1 1 58 58 THR C C 58 172.862 172.862 176.287 -3.425 25793 6492 1 16 . 1 1 58 58 THR CA C 58 65.100 65.100 65.119 -0.019 25793 6493 1 16 . 1 1 58 58 THR CB C 58 66.100 66.100 68.686 -2.586 25793 6494 1 16 . 1 1 58 58 THR H H 58 8.381 8.381 8.439 -0.058 25793 6495 1 16 . 1 1 59 59 ARG N N 59 120.537 120.537 120.688 -0.151 25793 6496 1 16 . 1 1 59 59 ARG HA H 59 3.911 3.911 4.235 -0.324 25793 6497 1 16 . 1 1 59 59 ARG C C 59 176.099 176.099 177.764 -1.665 25793 6498 1 16 . 1 1 59 59 ARG CA C 59 56.616 56.616 58.746 -2.130 25793 6499 1 16 . 1 1 59 59 ARG CB C 59 27.022 27.022 30.383 -3.361 25793 6500 1 16 . 1 1 59 59 ARG H H 59 7.245 7.245 7.370 -0.126 25793 6501 1 16 . 1 1 60 60 ALA N N 60 121.996 121.996 122.263 -0.267 25793 6502 1 16 . 1 1 60 60 ALA HA H 60 4.120 4.120 4.146 -0.026 25793 6503 1 16 . 1 1 60 60 ALA C C 60 178.745 178.745 179.675 -0.930 25793 6504 1 16 . 1 1 60 60 ALA CA C 60 52.000 52.000 54.972 -2.972 25793 6505 1 16 . 1 1 60 60 ALA CB C 60 15.824 15.824 18.404 -2.580 25793 6506 1 16 . 1 1 60 60 ALA H H 60 7.489 7.489 8.083 -0.594 25793 6507 1 16 . 1 1 61 61 GLY N N 61 108.024 108.024 104.935 3.089 25793 6508 1 16 . 1 1 61 61 GLY C C 61 171.515 171.515 175.387 -3.872 25793 6509 1 16 . 1 1 61 61 GLY CA C 61 43.797 43.797 46.163 -2.366 25793 6510 1 16 . 1 1 61 61 GLY H H 61 8.721 8.721 8.400 0.321 25793 6511 1 16 . 1 1 62 62 LYS N N 62 123.393 123.393 121.922 1.471 25793 6512 1 16 . 1 1 62 62 LYS HA H 62 1.780 1.780 2.422 -0.642 25793 6513 1 16 . 1 1 62 62 LYS C C 62 174.612 174.612 178.277 -3.665 25793 6514 1 16 . 1 1 62 62 LYS CA C 62 56.683 56.683 59.135 -2.452 25793 6515 1 16 . 1 1 62 62 LYS CB C 62 29.920 29.920 31.968 -2.048 25793 6516 1 16 . 1 1 62 62 LYS H H 62 7.683 7.683 7.400 0.283 25793 6517 1 16 . 1 1 63 63 GLN N N 63 114.582 114.582 116.301 -1.719 25793 6518 1 16 . 1 1 63 63 GLN HA H 63 3.920 3.920 3.986 -0.066 25793 6519 1 16 . 1 1 63 63 GLN C C 63 176.294 176.294 178.289 -1.995 25793 6520 1 16 . 1 1 63 63 GLN CA C 63 55.604 55.604 58.304 -2.700 25793 6521 1 16 . 1 1 63 63 GLN CB C 63 25.557 25.557 28.763 -3.206 25793 6522 1 16 . 1 1 63 63 GLN H H 63 6.637 6.637 7.356 -0.719 25793 6523 1 16 . 1 1 64 64 ILE N N 64 119.051 119.051 119.297 -0.246 25793 6524 1 16 . 1 1 64 64 ILE HA H 64 3.571 3.571 3.651 -0.080 25793 6525 1 16 . 1 1 64 64 ILE C C 64 175.402 175.402 178.084 -2.682 25793 6526 1 16 . 1 1 64 64 ILE CA C 64 62.529 62.529 65.076 -2.547 25793 6527 1 16 . 1 1 64 64 ILE CB C 64 36.198 36.198 37.822 -1.624 25793 6528 1 16 . 1 1 64 64 ILE H H 64 7.092 7.092 7.135 -0.043 25793 6529 1 16 . 1 1 65 65 VAL N N 65 118.800 118.800 119.823 -1.023 25793 6530 1 16 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.559 -0.173 25793 6531 1 16 . 1 1 65 65 VAL C C 65 174.546 174.546 178.254 -3.708 25793 6532 1 16 . 1 1 65 65 VAL CA C 65 64.500 64.500 65.803 -1.303 25793 6533 1 16 . 1 1 65 65 VAL CB C 65 28.300 28.300 30.669 -2.369 25793 6534 1 16 . 1 1 65 65 VAL H H 65 8.103 8.103 8.053 0.050 25793 6535 1 16 . 1 1 66 66 GLU N N 66 118.966 118.966 119.520 -0.554 25793 6536 1 16 . 1 1 66 66 GLU HA H 66 3.810 3.810 3.913 -0.103 25793 6537 1 16 . 1 1 66 66 GLU C C 66 176.292 176.292 179.316 -3.024 25793 6538 1 16 . 1 1 66 66 GLU CA C 66 57.618 57.618 59.500 -1.882 25793 6539 1 16 . 1 1 66 66 GLU CB C 66 26.391 26.391 29.282 -2.891 25793 6540 1 16 . 1 1 66 66 GLU H H 66 8.654 8.654 7.573 1.081 25793 6541 1 16 . 1 1 67 67 ARG N N 67 118.499 118.499 118.636 -0.137 25793 6542 1 16 . 1 1 67 67 ARG HA H 67 3.990 3.990 4.029 -0.039 25793 6543 1 16 . 1 1 67 67 ARG C C 67 176.039 176.039 178.950 -2.911 25793 6544 1 16 . 1 1 67 67 ARG CA C 67 56.996 56.996 58.735 -1.739 25793 6545 1 16 . 1 1 67 67 ARG CB C 67 26.783 26.783 30.050 -3.267 25793 6546 1 16 . 1 1 67 67 ARG H H 67 7.270 7.270 7.850 -0.580 25793 6547 1 16 . 1 1 68 68 ILE N N 68 120.031 120.031 116.798 3.233 25793 6548 1 16 . 1 1 68 68 ILE HA H 68 3.721 3.721 4.060 -0.339 25793 6549 1 16 . 1 1 68 68 ILE C C 68 176.061 176.061 176.292 -0.231 25793 6550 1 16 . 1 1 68 68 ILE CA C 68 61.970 61.970 63.407 -1.437 25793 6551 1 16 . 1 1 68 68 ILE CB C 68 35.254 35.254 38.308 -3.054 25793 6552 1 16 . 1 1 68 68 ILE H H 68 7.569 7.569 7.941 -0.372 25793 6553 1 16 . 1 1 69 69 LEU N N 69 118.859 118.859 117.630 1.229 25793 6554 1 16 . 1 1 69 69 LEU HA H 69 4.127 4.127 4.413 -0.286 25793 6555 1 16 . 1 1 69 69 LEU C C 69 176.859 176.859 178.526 -1.667 25793 6556 1 16 . 1 1 69 69 LEU CA C 69 54.525 54.525 56.203 -1.679 25793 6557 1 16 . 1 1 69 69 LEU CB C 69 38.150 38.150 42.659 -4.509 25793 6558 1 16 . 1 1 69 69 LEU H H 69 8.305 8.305 7.287 1.018 25793 6559 1 16 . 1 1 70 70 LYS N N 70 119.685 119.685 119.223 0.462 25793 6560 1 16 . 1 1 70 70 LYS HA H 70 4.098 4.098 4.156 -0.058 25793 6561 1 16 . 1 1 70 70 LYS C C 70 175.484 175.484 177.858 -2.374 25793 6562 1 16 . 1 1 70 70 LYS CA C 70 55.580 55.580 58.337 -2.757 25793 6563 1 16 . 1 1 70 70 LYS CB C 70 29.700 29.700 32.226 -2.526 25793 6564 1 16 . 1 1 70 70 LYS H H 70 7.748 7.748 7.335 0.413 25793 6565 1 16 . 1 1 71 71 GLU N N 71 118.055 118.055 117.699 0.356 25793 6566 1 16 . 1 1 71 71 GLU HA H 71 4.175 4.175 4.376 -0.201 25793 6567 1 16 . 1 1 71 71 GLU C C 71 174.094 174.094 176.640 -2.546 25793 6568 1 16 . 1 1 71 71 GLU CA C 71 54.411 54.411 57.299 -2.888 25793 6569 1 16 . 1 1 71 71 GLU CB C 71 27.038 27.038 29.308 -2.270 25793 6570 1 16 . 1 1 71 71 GLU H H 71 7.644 7.644 8.314 -0.670 25793 6571 1 16 . 1 1 72 72 GLU N N 72 118.922 118.922 118.048 0.874 25793 6572 1 16 . 1 1 72 72 GLU HA H 72 4.164 4.164 4.351 -0.187 25793 6573 1 16 . 1 1 72 72 GLU C C 72 172.677 172.677 176.573 -3.896 25793 6574 1 16 . 1 1 72 72 GLU CA C 72 53.047 53.047 57.334 -4.287 25793 6575 1 16 . 1 1 72 72 GLU CB C 72 25.297 25.297 30.424 -5.127 25793 6576 1 16 . 1 1 72 72 GLU H H 72 7.603 7.603 8.442 -0.839 25793 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 69 2.648 -0.541 2.612 25793 2 1 1 "Average Difference" HA 76 0.306 0.172 0.255 25793 3 1 1 "Average Difference" C 70 2.657 2.372 1.205 25793 4 1 1 "Average Difference" CA 71 2.501 2.278 1.040 25793 5 1 1 "Average Difference" CB 66 3.277 3.142 0.936 25793 6 1 1 "Average Difference" HN 69 0.514 -0.140 0.498 25793 7 1 2 "Average Difference" N 69 2.626 -0.467 2.603 25793 8 1 2 "Average Difference" HA 76 0.304 0.153 0.265 25793 9 1 2 "Average Difference" C 70 2.675 2.444 1.097 25793 10 1 2 "Average Difference" CA 71 2.512 2.314 0.984 25793 11 1 2 "Average Difference" CB 66 3.300 3.104 1.127 25793 12 1 2 "Average Difference" HN 69 0.504 -0.137 0.488 25793 13 1 3 "Average Difference" N 69 2.590 -0.541 2.552 25793 14 1 3 "Average Difference" HA 76 0.318 0.169 0.271 25793 15 1 3 "Average Difference" C 70 2.635 2.380 1.137 25793 16 1 3 "Average Difference" CA 71 2.436 2.250 0.940 25793 17 1 3 "Average Difference" CB 66 3.337 3.176 1.032 25793 18 1 3 "Average Difference" HN 69 0.539 -0.166 0.516 25793 19 1 4 "Average Difference" N 69 2.429 -0.635 2.362 25793 20 1 4 "Average Difference" HA 76 0.312 0.166 0.266 25793 21 1 4 "Average Difference" C 70 2.644 2.390 1.139 25793 22 1 4 "Average Difference" CA 71 2.454 2.255 0.975 25793 23 1 4 "Average Difference" CB 66 3.347 3.186 1.033 25793 24 1 4 "Average Difference" HN 69 0.558 -0.162 0.537 25793 25 1 5 "Average Difference" N 69 2.253 -0.590 2.190 25793 26 1 5 "Average Difference" HA 76 0.327 0.165 0.284 25793 27 1 5 "Average Difference" C 70 2.695 2.437 1.159 25793 28 1 5 "Average Difference" CA 71 2.462 2.302 0.880 25793 29 1 5 "Average Difference" CB 66 3.305 3.162 0.969 25793 30 1 5 "Average Difference" HN 69 0.501 -0.128 0.489 25793 31 1 6 "Average Difference" N 69 2.497 -0.832 2.372 25793 32 1 6 "Average Difference" HA 76 0.298 0.163 0.251 25793 33 1 6 "Average Difference" C 70 2.669 2.399 1.179 25793 34 1 6 "Average Difference" CA 71 2.506 2.300 1.002 25793 35 1 6 "Average Difference" CB 66 3.319 3.163 1.014 25793 36 1 6 "Average Difference" HN 69 0.549 -0.138 0.535 25793 37 1 7 "Average Difference" N 69 2.458 -0.701 2.373 25793 38 1 7 "Average Difference" HA 76 0.312 0.175 0.259 25793 39 1 7 "Average Difference" C 70 2.638 2.410 1.081 25793 40 1 7 "Average Difference" CA 71 2.515 2.356 0.887 25793 41 1 7 "Average Difference" CB 66 3.429 3.253 1.093 25793 42 1 7 "Average Difference" HN 69 0.511 -0.140 0.495 25793 43 1 8 "Average Difference" N 69 2.518 -0.388 2.506 25793 44 1 8 "Average Difference" HA 76 0.302 0.164 0.255 25793 45 1 8 "Average Difference" C 70 2.610 2.379 1.080 25793 46 1 8 "Average Difference" CA 71 2.431 2.268 0.880 25793 47 1 8 "Average Difference" CB 66 3.405 3.229 1.087 25793 48 1 8 "Average Difference" HN 69 0.514 -0.142 0.497 25793 49 1 9 "Average Difference" N 69 2.755 -0.587 2.712 25793 50 1 9 "Average Difference" HA 76 0.302 0.166 0.254 25793 51 1 9 "Average Difference" C 70 2.614 2.365 1.122 25793 52 1 9 "Average Difference" CA 71 2.374 2.178 0.952 25793 53 1 9 "Average Difference" CB 66 3.286 3.134 0.998 25793 54 1 9 "Average Difference" HN 69 0.521 -0.162 0.499 25793 55 1 10 "Average Difference" N 69 2.555 -0.544 2.515 25793 56 1 10 "Average Difference" HA 76 0.297 0.147 0.260 25793 57 1 10 "Average Difference" C 70 2.665 2.413 1.139 25793 58 1 10 "Average Difference" CA 71 2.465 2.273 0.959 25793 59 1 10 "Average Difference" CB 66 3.326 3.161 1.042 25793 60 1 10 "Average Difference" HN 69 0.507 -0.110 0.498 25793 61 1 11 "Average Difference" N 69 2.376 -0.637 2.306 25793 62 1 11 "Average Difference" HA 76 0.302 0.172 0.250 25793 63 1 11 "Average Difference" C 70 2.672 2.425 1.130 25793 64 1 11 "Average Difference" CA 71 2.526 2.368 0.885 25793 65 1 11 "Average Difference" CB 66 3.317 3.166 0.999 25793 66 1 11 "Average Difference" HN 69 0.542 -0.116 0.533 25793 67 1 12 "Average Difference" N 69 2.631 -0.465 2.609 25793 68 1 12 "Average Difference" HA 76 0.309 0.166 0.262 25793 69 1 12 "Average Difference" C 70 2.667 2.413 1.142 25793 70 1 12 "Average Difference" CA 71 2.420 2.237 0.929 25793 71 1 12 "Average Difference" CB 66 3.244 3.083 1.019 25793 72 1 12 "Average Difference" HN 69 0.542 -0.121 0.532 25793 73 1 13 "Average Difference" N 69 2.617 -0.606 2.565 25793 74 1 13 "Average Difference" HA 76 0.301 0.152 0.261 25793 75 1 13 "Average Difference" C 70 2.661 2.404 1.150 25793 76 1 13 "Average Difference" CA 71 2.453 2.228 1.035 25793 77 1 13 "Average Difference" CB 66 3.210 3.086 0.887 25793 78 1 13 "Average Difference" HN 69 0.537 -0.167 0.514 25793 79 1 14 "Average Difference" N 69 2.518 -0.467 2.492 25793 80 1 14 "Average Difference" HA 76 0.342 0.184 0.291 25793 81 1 14 "Average Difference" C 70 2.726 2.483 1.135 25793 82 1 14 "Average Difference" CA 71 2.480 2.247 1.058 25793 83 1 14 "Average Difference" CB 66 3.196 3.047 0.972 25793 84 1 14 "Average Difference" HN 69 0.530 -0.098 0.525 25793 85 1 15 "Average Difference" N 69 2.727 -0.480 2.704 25793 86 1 15 "Average Difference" HA 76 0.299 0.159 0.254 25793 87 1 15 "Average Difference" C 70 2.634 2.379 1.139 25793 88 1 15 "Average Difference" CA 71 2.472 2.262 1.005 25793 89 1 15 "Average Difference" CB 66 3.343 3.147 1.136 25793 90 1 15 "Average Difference" HN 69 0.532 -0.138 0.517 25793 91 1 16 "Average Difference" N 69 2.625 -0.444 2.607 25793 92 1 16 "Average Difference" HA 76 0.277 0.148 0.236 25793 93 1 16 "Average Difference" C 70 2.678 2.425 1.145 25793 94 1 16 "Average Difference" CA 71 2.468 2.290 0.927 25793 95 1 16 "Average Difference" CB 66 3.262 3.114 0.980 25793 96 1 16 "Average Difference" HN 69 0.515 -0.105 0.508 25793 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 25793 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ASP HA H 2 4.703 4.703 4.917 -0.214 25793 2 1 . 1 1 2 2 ASP C C 2 173.678 173.678 175.731 -2.053 25793 3 1 . 1 1 2 2 ASP CA C 2 51.357 51.357 54.097 -2.740 25793 4 1 . 1 1 2 2 ASP CB C 2 39.114 39.114 42.406 -3.292 25793 5 1 . 1 1 3 3 SER N N 3 118.993 118.993 117.457 1.536 25793 6 1 . 1 1 3 3 SER HA H 3 4.237 4.237 4.423 -0.186 25793 7 1 . 1 1 3 3 SER C C 3 173.240 173.240 175.177 -1.937 25793 8 1 . 1 1 3 3 SER CA C 3 57.300 57.300 59.623 -2.323 25793 9 1 . 1 1 3 3 SER CB C 3 60.653 60.653 64.114 -3.461 25793 10 1 . 1 1 3 3 SER H H 3 8.745 8.745 8.614 0.131 25793 11 1 . 1 1 4 4 ASN N N 4 122.369 122.369 120.105 2.264 25793 12 1 . 1 1 4 4 ASN HA H 4 4.576 4.576 4.754 -0.178 25793 13 1 . 1 1 4 4 ASN C C 4 176.101 176.101 176.696 -0.595 25793 14 1 . 1 1 4 4 ASN CA C 4 52.488 52.488 55.246 -2.758 25793 15 1 . 1 1 4 4 ASN CB C 4 33.507 33.507 38.782 -5.274 25793 16 1 . 1 1 4 4 ASN H H 4 8.865 8.865 8.638 0.227 25793 17 1 . 1 1 5 5 THR N N 5 122.349 122.349 114.999 7.350 25793 18 1 . 1 1 5 5 THR HA H 5 4.330 4.330 4.313 0.017 25793 19 1 . 1 1 5 5 THR C C 5 174.576 174.576 175.356 -0.780 25793 20 1 . 1 1 5 5 THR CA C 5 63.330 63.330 64.622 -1.292 25793 21 1 . 1 1 5 5 THR CB C 5 66.155 66.155 69.000 -2.845 25793 22 1 . 1 1 5 5 THR H H 5 8.200 8.200 7.878 0.322 25793 23 1 . 1 1 6 6 VAL N N 6 124.255 124.255 119.918 4.337 25793 24 1 . 1 1 6 6 VAL HA H 6 3.480 3.480 4.097 -0.617 25793 25 1 . 1 1 6 6 VAL C C 6 174.988 174.988 177.324 -2.336 25793 26 1 . 1 1 6 6 VAL CA C 6 64.919 64.919 64.563 0.356 25793 27 1 . 1 1 6 6 VAL CB C 6 28.699 28.699 32.161 -3.462 25793 28 1 . 1 1 6 6 VAL H H 6 7.590 7.590 7.538 0.052 25793 29 1 . 1 1 7 7 SER N N 7 116.402 116.402 116.558 -0.156 25793 30 1 . 1 1 7 7 SER HA H 7 4.459 4.459 4.300 0.159 25793 31 1 . 1 1 7 7 SER C C 7 173.494 173.494 176.697 -3.203 25793 32 1 . 1 1 7 7 SER CA C 7 59.174 59.174 62.140 -2.966 25793 33 1 . 1 1 7 7 SER CB C 7 60.020 60.020 62.860 -2.840 25793 34 1 . 1 1 7 7 SER H H 7 8.721 8.721 8.058 0.663 25793 35 1 . 1 1 8 8 SER N N 8 116.463 116.463 116.699 -0.236 25793 36 1 . 1 1 8 8 SER HA H 8 3.745 3.745 4.362 -0.617 25793 37 1 . 1 1 8 8 SER C C 8 171.540 171.540 175.981 -4.441 25793 38 1 . 1 1 8 8 SER CA C 8 60.322 60.322 61.135 -0.813 25793 39 1 . 1 1 8 8 SER CB C 8 60.785 60.785 63.233 -2.448 25793 40 1 . 1 1 8 8 SER H H 8 8.213 8.213 7.817 0.396 25793 41 1 . 1 1 9 9 PHE N N 9 121.530 121.530 123.361 -1.831 25793 42 1 . 1 1 9 9 PHE HA H 9 4.405 4.405 4.520 -0.115 25793 43 1 . 1 1 9 9 PHE C C 9 174.481 174.481 176.722 -2.241 25793 44 1 . 1 1 9 9 PHE CA C 9 58.488 58.488 60.267 -1.779 25793 45 1 . 1 1 9 9 PHE CB C 9 36.397 36.397 39.595 -3.198 25793 46 1 . 1 1 9 9 PHE H H 9 7.387 7.387 7.360 0.026 25793 47 1 . 1 1 10 10 GLN N N 10 119.460 119.460 119.219 0.241 25793 48 1 . 1 1 10 10 GLN HA H 10 3.516 3.516 3.850 -0.334 25793 49 1 . 1 1 10 10 GLN C C 10 176.083 176.083 178.607 -2.524 25793 50 1 . 1 1 10 10 GLN CA C 10 56.595 56.595 59.190 -2.595 25793 51 1 . 1 1 10 10 GLN CB C 10 23.672 23.672 28.844 -5.172 25793 52 1 . 1 1 10 10 GLN H H 10 8.335 8.335 8.179 0.156 25793 53 1 . 1 1 11 11 VAL N N 11 119.513 119.513 119.294 0.219 25793 54 1 . 1 1 11 11 VAL HA H 11 3.300 3.300 3.790 -0.490 25793 55 1 . 1 1 11 11 VAL C C 11 174.535 174.535 177.410 -2.875 25793 56 1 . 1 1 11 11 VAL CA C 11 65.180 65.180 66.205 -1.025 25793 57 1 . 1 1 11 11 VAL CB C 11 28.300 28.300 31.564 -3.264 25793 58 1 . 1 1 11 11 VAL H H 11 8.127 8.127 7.934 0.193 25793 59 1 . 1 1 12 12 ASP N N 12 120.959 120.959 121.034 -0.075 25793 60 1 . 1 1 12 12 ASP HA H 12 4.414 4.414 4.478 -0.064 25793 61 1 . 1 1 12 12 ASP C C 12 177.940 177.940 178.492 -0.551 25793 62 1 . 1 1 12 12 ASP CA C 12 55.349 55.349 57.911 -2.562 25793 63 1 . 1 1 12 12 ASP CB C 12 37.275 37.275 40.655 -3.380 25793 64 1 . 1 1 12 12 ASP H H 12 8.116 8.116 7.729 0.387 25793 65 1 . 1 1 13 13 CYS N N 13 119.479 119.479 118.344 1.135 25793 66 1 . 1 1 13 13 CYS HA H 13 4.015 4.015 4.126 -0.111 25793 67 1 . 1 1 13 13 CYS C C 13 175.349 175.349 176.656 -1.307 25793 68 1 . 1 1 13 13 CYS CA C 13 62.384 62.384 63.622 -1.238 25793 69 1 . 1 1 13 13 CYS CB C 13 23.610 23.610 27.135 -3.525 25793 70 1 . 1 1 13 13 CYS H H 13 8.448 8.448 7.872 0.576 25793 71 1 . 1 1 14 14 PHE N N 14 121.085 121.085 121.751 -0.666 25793 72 1 . 1 1 14 14 PHE HA H 14 4.460 4.460 4.291 0.169 25793 73 1 . 1 1 14 14 PHE C C 14 174.143 174.143 176.999 -2.856 25793 74 1 . 1 1 14 14 PHE CA C 14 59.902 59.902 61.031 -1.129 25793 75 1 . 1 1 14 14 PHE CB C 14 35.907 35.907 38.973 -3.066 25793 76 1 . 1 1 14 14 PHE H H 14 8.244 8.244 7.592 0.652 25793 77 1 . 1 1 15 15 LEU N N 15 118.069 118.069 119.321 -1.252 25793 78 1 . 1 1 15 15 LEU HA H 15 3.735 3.735 3.765 -0.030 25793 79 1 . 1 1 15 15 LEU C C 15 176.261 176.261 178.732 -2.471 25793 80 1 . 1 1 15 15 LEU CA C 15 55.494 55.494 58.638 -3.144 25793 81 1 . 1 1 15 15 LEU CB C 15 36.676 36.676 41.553 -4.877 25793 82 1 . 1 1 15 15 LEU H H 15 9.072 9.072 8.333 0.739 25793 83 1 . 1 1 16 16 TRP N N 16 120.587 120.587 119.979 0.608 25793 84 1 . 1 1 16 16 TRP HA H 16 3.660 3.660 4.265 -0.605 25793 85 1 . 1 1 16 16 TRP C C 16 173.925 173.925 177.892 -3.967 25793 86 1 . 1 1 16 16 TRP CA C 16 61.127 61.127 61.547 -0.420 25793 87 1 . 1 1 16 16 TRP CB C 16 26.247 26.247 29.592 -3.345 25793 88 1 . 1 1 16 16 TRP H H 16 8.142 8.142 8.383 -0.240 25793 89 1 . 1 1 17 17 HIS N N 17 117.927 117.927 118.388 -0.461 25793 90 1 . 1 1 17 17 HIS HA H 17 4.022 4.022 4.270 -0.248 25793 91 1 . 1 1 17 17 HIS C C 17 173.650 173.650 176.758 -3.108 25793 92 1 . 1 1 17 17 HIS CA C 17 57.350 57.350 59.372 -2.021 25793 93 1 . 1 1 17 17 HIS CB C 17 25.231 25.231 29.924 -4.693 25793 94 1 . 1 1 17 17 HIS H H 17 7.697 7.697 7.615 0.082 25793 95 1 . 1 1 18 18 VAL N N 18 118.787 118.787 119.091 -0.304 25793 96 1 . 1 1 18 18 VAL HA H 18 2.949 2.949 3.518 -0.569 25793 97 1 . 1 1 18 18 VAL C C 18 174.321 174.321 177.665 -3.344 25793 98 1 . 1 1 18 18 VAL CA C 18 64.400 64.400 65.825 -1.425 25793 99 1 . 1 1 18 18 VAL CB C 18 28.400 28.400 31.418 -3.018 25793 100 1 . 1 1 18 18 VAL H H 18 7.651 7.651 7.583 0.068 25793 101 1 . 1 1 19 19 ARG N N 19 118.108 118.108 118.659 -0.551 25793 102 1 . 1 1 19 19 ARG HA H 19 3.661 3.661 4.141 -0.480 25793 103 1 . 1 1 19 19 ARG C C 19 174.575 174.575 178.304 -3.729 25793 104 1 . 1 1 19 19 ARG CA C 19 57.558 57.558 59.233 -1.675 25793 105 1 . 1 1 19 19 ARG CB C 19 28.140 28.140 30.054 -1.914 25793 106 1 . 1 1 19 19 ARG H H 19 7.602 7.602 7.623 -0.021 25793 107 1 . 1 1 20 20 LYS N N 20 121.889 121.889 119.154 2.735 25793 108 1 . 1 1 20 20 LYS HA H 20 3.530 3.530 4.014 -0.484 25793 109 1 . 1 1 20 20 LYS C C 20 174.970 174.970 178.685 -3.715 25793 110 1 . 1 1 20 20 LYS CA C 20 55.292 55.292 57.909 -2.617 25793 111 1 . 1 1 20 20 LYS CB C 20 28.420 28.420 31.907 -3.487 25793 112 1 . 1 1 20 20 LYS H H 20 8.304 8.304 7.799 0.505 25793 113 1 . 1 1 21 21 ARG N N 21 118.825 118.825 118.398 0.427 25793 114 1 . 1 1 21 21 ARG HA H 21 3.915 3.915 4.100 -0.185 25793 115 1 . 1 1 21 21 ARG C C 21 176.513 176.513 177.256 -0.743 25793 116 1 . 1 1 21 21 ARG CA C 21 55.003 55.003 58.300 -3.297 25793 117 1 . 1 1 21 21 ARG CB C 21 26.002 26.002 30.118 -4.116 25793 118 1 . 1 1 21 21 ARG H H 21 7.772 7.772 7.488 0.284 25793 119 1 . 1 1 22 22 PHE N N 22 120.501 120.501 119.246 1.255 25793 120 1 . 1 1 22 22 PHE HA H 22 3.899 3.899 4.334 -0.435 25793 121 1 . 1 1 22 22 PHE C C 22 173.880 173.880 176.126 -2.246 25793 122 1 . 1 1 22 22 PHE CA C 22 58.542 58.542 60.392 -1.850 25793 123 1 . 1 1 22 22 PHE CB C 22 35.961 35.961 39.610 -3.649 25793 124 1 . 1 1 22 22 PHE H H 22 7.799 7.799 7.526 0.274 25793 125 1 . 1 1 23 23 ALA N N 23 123.040 123.040 121.461 1.579 25793 126 1 . 1 1 23 23 ALA HA H 23 3.720 3.720 4.046 -0.326 25793 127 1 . 1 1 23 23 ALA C C 23 179.545 179.545 179.856 -0.311 25793 128 1 . 1 1 23 23 ALA CA C 23 51.750 51.750 54.964 -3.214 25793 129 1 . 1 1 23 23 ALA CB C 23 15.970 15.970 18.303 -2.333 25793 130 1 . 1 1 23 23 ALA H H 23 8.627 8.627 8.167 0.460 25793 131 1 . 1 1 24 24 ASP N N 24 121.514 121.514 117.581 3.933 25793 132 1 . 1 1 24 24 ASP HA H 24 4.323 4.323 4.511 -0.188 25793 133 1 . 1 1 24 24 ASP C C 24 175.020 175.020 177.264 -2.244 25793 134 1 . 1 1 24 24 ASP CA C 24 53.645 53.645 56.281 -2.636 25793 135 1 . 1 1 24 24 ASP CB C 24 37.158 37.158 40.822 -3.664 25793 136 1 . 1 1 24 24 ASP H H 24 8.846 8.846 7.904 0.942 25793 137 1 . 1 1 25 25 GLN N N 25 118.127 118.127 117.360 0.767 25793 138 1 . 1 1 25 25 GLN HA H 25 4.159 4.159 4.317 -0.158 25793 139 1 . 1 1 25 25 GLN C C 25 171.680 171.680 174.953 -3.273 25793 140 1 . 1 1 25 25 GLN CA C 25 53.101 53.101 55.525 -2.424 25793 141 1 . 1 1 25 25 GLN CB C 25 25.351 25.351 29.779 -4.428 25793 142 1 . 1 1 25 25 GLN H H 25 7.192 7.192 7.423 -0.231 25793 143 1 . 1 1 26 26 GLU N N 26 112.361 112.361 117.426 -5.065 25793 144 1 . 1 1 26 26 GLU HA H 26 3.906 3.906 3.867 0.039 25793 145 1 . 1 1 26 26 GLU C C 26 173.060 173.060 175.181 -2.121 25793 146 1 . 1 1 26 26 GLU CA C 26 54.352 54.352 57.109 -2.757 25793 147 1 . 1 1 26 26 GLU CB C 26 22.759 22.759 27.773 -5.014 25793 148 1 . 1 1 26 26 GLU H H 26 7.975 7.975 7.760 0.215 25793 149 1 . 1 1 27 27 LEU N N 27 115.873 115.873 120.208 -4.335 25793 150 1 . 1 1 27 27 LEU HA H 27 4.043 4.043 4.203 -0.160 25793 151 1 . 1 1 27 27 LEU C C 27 172.610 172.610 176.068 -3.458 25793 152 1 . 1 1 27 27 LEU CA C 27 50.921 50.921 54.174 -3.253 25793 153 1 . 1 1 27 27 LEU CB C 27 40.359 40.359 42.018 -1.659 25793 154 1 . 1 1 27 27 LEU H H 27 5.781 5.781 7.407 -1.626 25793 155 1 . 1 1 28 28 GLY N N 28 103.011 103.011 110.325 -7.314 25793 156 1 . 1 1 28 28 GLY C C 28 172.297 172.297 173.190 -0.893 25793 157 1 . 1 1 28 28 GLY CA C 28 41.348 41.348 44.130 -2.782 25793 158 1 . 1 1 28 28 GLY H H 28 7.785 7.785 7.898 -0.113 25793 159 1 . 1 1 29 29 ASP N N 29 122.671 122.671 120.497 2.174 25793 160 1 . 1 1 29 29 ASP HA H 29 4.720 4.720 4.815 -0.095 25793 161 1 . 1 1 29 29 ASP C C 29 172.137 172.137 177.640 -5.503 25793 162 1 . 1 1 29 29 ASP CA C 29 48.748 48.748 53.362 -4.614 25793 163 1 . 1 1 29 29 ASP CB C 29 38.519 38.519 42.383 -3.864 25793 164 1 . 1 1 29 29 ASP H H 29 7.515 7.515 8.248 -0.733 25793 165 1 . 1 1 30 30 ALA N N 30 119.757 119.757 123.101 -3.344 25793 166 1 . 1 1 30 30 ALA HA H 30 4.240 4.240 4.252 -0.011 25793 167 1 . 1 1 30 30 ALA CA C 30 54.400 54.400 55.613 -1.213 25793 168 1 . 1 1 30 30 ALA CB C 30 12.540 12.540 17.058 -4.518 25793 169 1 . 1 1 30 30 ALA H H 30 8.492 8.492 8.595 -0.104 25793 170 1 . 1 1 31 31 PRO HA H 31 4.361 4.361 4.438 -0.077 25793 171 1 . 1 1 31 31 PRO C C 31 175.699 175.699 178.192 -2.493 25793 172 1 . 1 1 31 31 PRO CA C 31 63.220 63.220 64.880 -1.661 25793 173 1 . 1 1 31 31 PRO CB C 31 28.336 28.336 31.411 -3.075 25793 174 1 . 1 1 32 32 PHE N N 32 119.824 119.824 118.359 1.465 25793 175 1 . 1 1 32 32 PHE HA H 32 3.885 3.885 4.302 -0.417 25793 176 1 . 1 1 32 32 PHE C C 32 176.949 176.949 177.269 -0.320 25793 177 1 . 1 1 32 32 PHE CA C 32 59.685 59.685 61.757 -2.072 25793 178 1 . 1 1 32 32 PHE CB C 32 36.778 36.778 39.309 -2.531 25793 179 1 . 1 1 32 32 PHE H H 32 7.949 7.949 7.757 0.192 25793 180 1 . 1 1 33 33 LEU N N 33 121.755 121.755 119.623 2.132 25793 181 1 . 1 1 33 33 LEU HA H 33 4.063 4.063 3.990 0.073 25793 182 1 . 1 1 33 33 LEU C C 33 176.490 176.490 178.548 -2.058 25793 183 1 . 1 1 33 33 LEU CA C 33 54.968 54.968 58.138 -3.171 25793 184 1 . 1 1 33 33 LEU CB C 33 38.335 38.335 41.677 -3.342 25793 185 1 . 1 1 33 33 LEU H H 33 8.386 8.386 7.790 0.596 25793 186 1 . 1 1 34 34 ASP N N 34 121.771 121.771 119.805 1.966 25793 187 1 . 1 1 34 34 ASP HA H 34 4.399 4.399 4.329 0.070 25793 188 1 . 1 1 34 34 ASP C C 34 176.196 176.196 178.914 -2.718 25793 189 1 . 1 1 34 34 ASP CA C 34 54.871 54.871 58.110 -3.239 25793 190 1 . 1 1 34 34 ASP CB C 34 38.471 38.471 40.726 -2.255 25793 191 1 . 1 1 34 34 ASP H H 34 8.252 8.252 7.733 0.519 25793 192 1 . 1 1 35 35 ARG N N 35 119.119 119.119 119.384 -0.265 25793 193 1 . 1 1 35 35 ARG HA H 35 3.818 3.818 3.978 -0.160 25793 194 1 . 1 1 35 35 ARG C C 35 175.752 175.752 178.701 -2.949 25793 195 1 . 1 1 35 35 ARG CA C 35 57.302 57.302 59.113 -1.811 25793 196 1 . 1 1 35 35 ARG CB C 35 27.486 27.486 30.240 -2.754 25793 197 1 . 1 1 35 35 ARG H H 35 8.197 8.197 7.720 0.477 25793 198 1 . 1 1 36 36 LEU N N 36 120.940 120.940 120.052 0.888 25793 199 1 . 1 1 36 36 LEU HA H 36 3.872 3.872 4.056 -0.184 25793 200 1 . 1 1 36 36 LEU C C 36 177.676 177.676 179.036 -1.360 25793 201 1 . 1 1 36 36 LEU CA C 36 55.818 55.818 58.099 -2.281 25793 202 1 . 1 1 36 36 LEU CB C 36 40.156 40.156 41.773 -1.617 25793 203 1 . 1 1 36 36 LEU H H 36 7.735 7.735 8.014 -0.279 25793 204 1 . 1 1 37 37 ARG N N 37 120.596 120.596 117.955 2.641 25793 205 1 . 1 1 37 37 ARG HA H 37 4.241 4.241 4.030 0.211 25793 206 1 . 1 1 37 37 ARG C C 37 174.571 174.571 178.906 -4.335 25793 207 1 . 1 1 37 37 ARG CA C 37 56.891 56.891 59.735 -2.844 25793 208 1 . 1 1 37 37 ARG CB C 37 27.936 27.936 29.910 -1.975 25793 209 1 . 1 1 37 37 ARG H H 37 8.006 8.006 7.710 0.296 25793 210 1 . 1 1 38 38 ARG N N 38 121.436 121.436 118.556 2.880 25793 211 1 . 1 1 38 38 ARG HA H 38 3.987 3.987 4.067 -0.080 25793 212 1 . 1 1 38 38 ARG C C 38 177.290 177.290 178.224 -0.934 25793 213 1 . 1 1 38 38 ARG CA C 38 57.131 57.131 59.128 -1.997 25793 214 1 . 1 1 38 38 ARG CB C 38 27.450 27.450 30.144 -2.693 25793 215 1 . 1 1 38 38 ARG H H 38 8.307 8.307 7.617 0.690 25793 216 1 . 1 1 39 39 ASP N N 39 120.034 120.034 117.940 2.094 25793 217 1 . 1 1 39 39 ASP HA H 39 4.529 4.529 4.649 -0.120 25793 218 1 . 1 1 39 39 ASP C C 39 174.864 174.864 178.000 -3.136 25793 219 1 . 1 1 39 39 ASP CA C 39 53.700 53.700 56.760 -3.060 25793 220 1 . 1 1 39 39 ASP CB C 39 37.158 37.158 41.503 -4.345 25793 221 1 . 1 1 39 39 ASP H H 39 8.737 8.737 7.713 1.023 25793 222 1 . 1 1 40 40 GLN N N 40 121.853 121.853 120.317 1.536 25793 223 1 . 1 1 40 40 GLN HA H 40 2.999 2.999 3.757 -0.758 25793 224 1 . 1 1 40 40 GLN C C 40 175.010 175.010 177.970 -2.960 25793 225 1 . 1 1 40 40 GLN CA C 40 56.747 56.747 59.164 -2.417 25793 226 1 . 1 1 40 40 GLN CB C 40 25.196 25.196 28.713 -3.517 25793 227 1 . 1 1 40 40 GLN H H 40 7.954 7.954 8.165 -0.211 25793 228 1 . 1 1 41 41 LYS N N 41 117.346 117.346 119.131 -1.785 25793 229 1 . 1 1 41 41 LYS HA H 41 3.914 3.914 4.056 -0.142 25793 230 1 . 1 1 41 41 LYS C C 41 177.117 177.117 179.302 -2.185 25793 231 1 . 1 1 41 41 LYS CA C 41 56.689 56.689 59.202 -2.513 25793 232 1 . 1 1 41 41 LYS CB C 41 29.446 29.446 32.015 -2.569 25793 233 1 . 1 1 41 41 LYS H H 41 7.014 7.014 7.574 -0.560 25793 234 1 . 1 1 42 42 SER N N 42 115.844 115.844 116.231 -0.387 25793 235 1 . 1 1 42 42 SER HA H 42 4.262 4.262 4.309 -0.047 25793 236 1 . 1 1 42 42 SER C C 42 175.262 175.262 176.369 -1.107 25793 237 1 . 1 1 42 42 SER CA C 42 58.256 58.256 61.137 -2.881 25793 238 1 . 1 1 42 42 SER CB C 42 59.683 59.683 62.914 -3.231 25793 239 1 . 1 1 42 42 SER H H 42 7.875 7.875 7.651 0.224 25793 240 1 . 1 1 43 43 LEU N N 43 123.254 123.254 122.613 0.641 25793 241 1 . 1 1 43 43 LEU HA H 43 4.082 4.082 4.082 -0.000 25793 242 1 . 1 1 43 43 LEU C C 43 176.505 176.505 178.957 -2.452 25793 243 1 . 1 1 43 43 LEU CA C 43 55.621 55.621 58.145 -2.524 25793 244 1 . 1 1 43 43 LEU CB C 43 38.460 38.460 41.750 -3.290 25793 245 1 . 1 1 43 43 LEU H H 43 8.736 8.736 8.305 0.431 25793 246 1 . 1 1 44 44 ARG N N 44 118.877 118.877 117.933 0.944 25793 247 1 . 1 1 44 44 ARG HA H 44 4.011 4.011 4.016 -0.005 25793 248 1 . 1 1 44 44 ARG C C 44 177.379 177.379 179.013 -1.634 25793 249 1 . 1 1 44 44 ARG CA C 44 56.911 56.911 59.540 -2.629 25793 250 1 . 1 1 44 44 ARG CB C 44 26.602 26.602 30.081 -3.480 25793 251 1 . 1 1 44 44 ARG H H 44 7.686 7.686 7.871 -0.185 25793 252 1 . 1 1 45 45 GLY N N 45 107.372 107.372 106.100 1.272 25793 253 1 . 1 1 45 45 GLY C C 45 173.935 173.935 175.764 -1.829 25793 254 1 . 1 1 45 45 GLY CA C 45 44.395 44.395 46.334 -1.939 25793 255 1 . 1 1 45 45 GLY H H 45 7.762 7.762 8.024 -0.262 25793 256 1 . 1 1 46 46 ARG N N 46 123.780 123.780 121.828 1.952 25793 257 1 . 1 1 46 46 ARG HA H 46 3.902 3.902 4.208 -0.306 25793 258 1 . 1 1 46 46 ARG C C 46 175.910 175.910 178.399 -2.489 25793 259 1 . 1 1 46 46 ARG CA C 46 56.375 56.375 58.271 -1.896 25793 260 1 . 1 1 46 46 ARG CB C 46 28.851 28.851 30.218 -1.366 25793 261 1 . 1 1 46 46 ARG H H 46 8.381 8.381 7.597 0.784 25793 262 1 . 1 1 47 47 GLY N N 47 107.330 107.330 107.241 0.089 25793 263 1 . 1 1 47 47 GLY C C 47 173.406 173.406 175.878 -2.472 25793 264 1 . 1 1 47 47 GLY CA C 47 45.429 45.429 46.767 -1.338 25793 265 1 . 1 1 47 47 GLY H H 47 8.782 8.782 7.787 0.995 25793 266 1 . 1 1 48 48 SER N N 48 116.214 116.214 117.451 -1.237 25793 267 1 . 1 1 48 48 SER HA H 48 4.200 4.200 4.132 0.068 25793 268 1 . 1 1 48 48 SER C C 48 174.824 174.824 176.983 -2.159 25793 269 1 . 1 1 48 48 SER CA C 48 58.531 58.531 61.748 -3.217 25793 270 1 . 1 1 48 48 SER CB C 48 59.837 59.837 62.865 -3.028 25793 271 1 . 1 1 48 48 SER H H 48 7.737 7.737 7.651 0.086 25793 272 1 . 1 1 49 49 THR N N 49 118.158 118.158 117.985 0.173 25793 273 1 . 1 1 49 49 THR HA H 49 3.885 3.885 3.970 -0.085 25793 274 1 . 1 1 49 49 THR C C 49 173.322 173.322 176.202 -2.880 25793 275 1 . 1 1 49 49 THR CA C 49 63.385 63.385 64.956 -1.571 25793 276 1 . 1 1 49 49 THR CB C 49 65.997 65.997 68.709 -2.712 25793 277 1 . 1 1 49 49 THR H H 49 7.784 7.784 7.446 0.338 25793 278 1 . 1 1 50 50 LEU N N 50 118.727 118.727 120.364 -1.637 25793 279 1 . 1 1 50 50 LEU HA H 50 4.050 4.050 4.304 -0.254 25793 280 1 . 1 1 50 50 LEU C C 50 174.153 174.153 177.567 -3.414 25793 281 1 . 1 1 50 50 LEU CA C 50 52.580 52.580 54.966 -2.386 25793 282 1 . 1 1 50 50 LEU CB C 50 39.994 39.994 42.288 -2.294 25793 283 1 . 1 1 50 50 LEU H H 50 7.734 7.734 7.632 0.102 25793 284 1 . 1 1 51 51 GLY N N 51 108.894 108.894 107.690 1.204 25793 285 1 . 1 1 51 51 GLY C C 51 171.597 171.597 174.081 -2.484 25793 286 1 . 1 1 51 51 GLY CA C 51 43.400 43.400 45.408 -2.008 25793 287 1 . 1 1 51 51 GLY H H 51 7.698 7.698 7.722 -0.024 25793 288 1 . 1 1 52 52 LEU N N 52 119.252 119.252 120.366 -1.114 25793 289 1 . 1 1 52 52 LEU HA H 52 4.638 4.638 4.558 0.080 25793 290 1 . 1 1 52 52 LEU C C 52 172.244 172.244 176.377 -4.133 25793 291 1 . 1 1 52 52 LEU CA C 52 50.261 50.261 54.145 -3.885 25793 292 1 . 1 1 52 52 LEU CB C 52 42.411 42.411 44.166 -1.755 25793 293 1 . 1 1 52 52 LEU H H 52 7.661 7.661 7.637 0.024 25793 294 1 . 1 1 53 53 ASP N N 53 121.433 121.433 124.719 -3.286 25793 295 1 . 1 1 53 53 ASP HA H 53 4.658 4.658 4.684 -0.026 25793 296 1 . 1 1 53 53 ASP C C 53 174.204 174.204 177.251 -3.047 25793 297 1 . 1 1 53 53 ASP CA C 53 50.435 50.435 55.073 -4.638 25793 298 1 . 1 1 53 53 ASP CB C 53 40.206 40.206 41.951 -1.745 25793 299 1 . 1 1 53 53 ASP H H 53 8.127 8.127 8.550 -0.423 25793 300 1 . 1 1 54 54 ILE N N 54 125.804 125.804 127.255 -1.451 25793 301 1 . 1 1 54 54 ILE HA H 54 3.797 3.797 3.710 0.087 25793 302 1 . 1 1 54 54 ILE C C 54 176.613 176.613 177.159 -0.546 25793 303 1 . 1 1 54 54 ILE CA C 54 62.133 62.133 64.448 -2.315 25793 304 1 . 1 1 54 54 ILE CB C 54 35.036 35.036 38.582 -3.546 25793 305 1 . 1 1 54 54 ILE H H 54 8.788 8.788 8.771 0.017 25793 306 1 . 1 1 55 55 GLU N N 55 125.797 125.797 118.656 7.141 25793 307 1 . 1 1 55 55 GLU HA H 55 4.009 4.009 3.979 0.030 25793 308 1 . 1 1 55 55 GLU C C 55 176.730 176.730 178.810 -2.080 25793 309 1 . 1 1 55 55 GLU CA C 55 57.998 57.998 59.831 -1.833 25793 310 1 . 1 1 55 55 GLU CB C 55 25.895 25.895 28.984 -3.089 25793 311 1 . 1 1 55 55 GLU H H 55 8.945 8.945 8.734 0.211 25793 312 1 . 1 1 56 56 THR N N 56 117.286 117.286 114.068 3.218 25793 313 1 . 1 1 56 56 THR HA H 56 3.817 3.817 4.115 -0.298 25793 314 1 . 1 1 56 56 THR C C 56 174.617 174.617 175.797 -1.180 25793 315 1 . 1 1 56 56 THR CA C 56 63.766 63.766 65.313 -1.547 25793 316 1 . 1 1 56 56 THR CB C 56 65.452 65.452 68.507 -3.055 25793 317 1 . 1 1 56 56 THR H H 56 8.240 8.240 7.965 0.275 25793 318 1 . 1 1 57 57 ALA N N 57 125.072 125.072 123.468 1.604 25793 319 1 . 1 1 57 57 ALA HA H 57 4.230 4.230 4.180 0.050 25793 320 1 . 1 1 57 57 ALA C C 57 176.346 176.346 179.207 -2.861 25793 321 1 . 1 1 57 57 ALA CA C 57 52.650 52.650 55.001 -2.351 25793 322 1 . 1 1 57 57 ALA CB C 57 17.400 17.400 18.329 -0.929 25793 323 1 . 1 1 57 57 ALA H H 57 8.121 8.121 8.129 -0.008 25793 324 1 . 1 1 58 58 THR N N 58 115.752 115.752 111.825 3.927 25793 325 1 . 1 1 58 58 THR HA H 58 3.632 3.632 4.097 -0.465 25793 326 1 . 1 1 58 58 THR C C 58 172.862 172.862 176.427 -3.565 25793 327 1 . 1 1 58 58 THR CA C 58 65.100 65.100 65.885 -0.785 25793 328 1 . 1 1 58 58 THR CB C 58 66.100 66.100 68.767 -2.667 25793 329 1 . 1 1 58 58 THR H H 58 8.381 8.381 8.291 0.090 25793 330 1 . 1 1 59 59 ARG N N 59 120.537 120.537 120.839 -0.302 25793 331 1 . 1 1 59 59 ARG HA H 59 3.911 3.911 4.182 -0.271 25793 332 1 . 1 1 59 59 ARG C C 59 176.099 176.099 177.989 -1.890 25793 333 1 . 1 1 59 59 ARG CA C 59 56.616 56.616 58.912 -2.296 25793 334 1 . 1 1 59 59 ARG CB C 59 27.022 27.022 30.326 -3.304 25793 335 1 . 1 1 59 59 ARG H H 59 7.245 7.245 7.390 -0.145 25793 336 1 . 1 1 60 60 ALA N N 60 121.996 121.996 122.001 -0.005 25793 337 1 . 1 1 60 60 ALA HA H 60 4.120 4.120 4.167 -0.047 25793 338 1 . 1 1 60 60 ALA C C 60 178.745 178.745 179.519 -0.774 25793 339 1 . 1 1 60 60 ALA CA C 60 52.000 52.000 54.757 -2.757 25793 340 1 . 1 1 60 60 ALA CB C 60 15.824 15.824 18.452 -2.628 25793 341 1 . 1 1 60 60 ALA H H 60 7.489 7.489 8.074 -0.585 25793 342 1 . 1 1 61 61 GLY N N 61 108.024 108.024 105.270 2.754 25793 343 1 . 1 1 61 61 GLY C C 61 171.515 171.515 175.377 -3.862 25793 344 1 . 1 1 61 61 GLY CA C 61 43.797 43.797 46.105 -2.308 25793 345 1 . 1 1 61 61 GLY H H 61 8.721 8.721 8.219 0.502 25793 346 1 . 1 1 62 62 LYS N N 62 123.393 123.393 121.515 1.878 25793 347 1 . 1 1 62 62 LYS HA H 62 1.780 1.780 2.559 -0.779 25793 348 1 . 1 1 62 62 LYS C C 62 174.612 174.612 178.333 -3.721 25793 349 1 . 1 1 62 62 LYS CA C 62 56.683 56.683 59.030 -2.347 25793 350 1 . 1 1 62 62 LYS CB C 62 29.920 29.920 32.013 -2.093 25793 351 1 . 1 1 62 62 LYS H H 62 7.683 7.683 7.554 0.129 25793 352 1 . 1 1 63 63 GLN N N 63 114.582 114.582 116.450 -1.868 25793 353 1 . 1 1 63 63 GLN HA H 63 3.920 3.920 3.986 -0.066 25793 354 1 . 1 1 63 63 GLN C C 63 176.294 176.294 178.535 -2.241 25793 355 1 . 1 1 63 63 GLN CA C 63 55.604 55.604 58.367 -2.763 25793 356 1 . 1 1 63 63 GLN CB C 63 25.557 25.557 28.779 -3.222 25793 357 1 . 1 1 63 63 GLN H H 63 6.637 6.637 7.414 -0.777 25793 358 1 . 1 1 64 64 ILE N N 64 119.051 119.051 117.813 1.238 25793 359 1 . 1 1 64 64 ILE HA H 64 3.571 3.571 3.785 -0.214 25793 360 1 . 1 1 64 64 ILE C C 64 175.402 175.402 177.344 -1.942 25793 361 1 . 1 1 64 64 ILE CA C 64 62.529 62.529 64.226 -1.697 25793 362 1 . 1 1 64 64 ILE CB C 64 36.198 36.198 37.880 -1.682 25793 363 1 . 1 1 64 64 ILE H H 64 7.092 7.092 7.255 -0.163 25793 364 1 . 1 1 65 65 VAL N N 65 118.800 118.800 119.872 -1.072 25793 365 1 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.704 -0.319 25793 366 1 . 1 1 65 65 VAL C C 65 174.546 174.546 177.512 -2.966 25793 367 1 . 1 1 65 65 VAL CA C 65 64.500 64.500 65.570 -1.070 25793 368 1 . 1 1 65 65 VAL CB C 65 28.300 28.300 31.669 -3.369 25793 369 1 . 1 1 65 65 VAL H H 65 8.103 8.103 7.445 0.658 25793 370 1 . 1 1 66 66 GLU N N 66 118.966 118.966 119.625 -0.659 25793 371 1 . 1 1 66 66 GLU HA H 66 3.810 3.810 3.949 -0.139 25793 372 1 . 1 1 66 66 GLU C C 66 176.292 176.292 179.341 -3.049 25793 373 1 . 1 1 66 66 GLU CA C 66 57.618 57.618 59.580 -1.962 25793 374 1 . 1 1 66 66 GLU CB C 66 26.391 26.391 29.457 -3.066 25793 375 1 . 1 1 66 66 GLU H H 66 8.654 8.654 7.587 1.067 25793 376 1 . 1 1 67 67 ARG N N 67 118.499 118.499 118.242 0.257 25793 377 1 . 1 1 67 67 ARG HA H 67 3.990 3.990 4.046 -0.056 25793 378 1 . 1 1 67 67 ARG C C 67 176.039 176.039 178.972 -2.933 25793 379 1 . 1 1 67 67 ARG CA C 67 56.996 56.996 58.842 -1.846 25793 380 1 . 1 1 67 67 ARG CB C 67 26.783 26.783 30.081 -3.298 25793 381 1 . 1 1 67 67 ARG H H 67 7.270 7.270 8.055 -0.785 25793 382 1 . 1 1 68 68 ILE N N 68 120.031 120.031 116.318 3.713 25793 383 1 . 1 1 68 68 ILE HA H 68 3.721 3.721 4.020 -0.299 25793 384 1 . 1 1 68 68 ILE C C 68 176.061 176.061 176.664 -0.603 25793 385 1 . 1 1 68 68 ILE CA C 68 61.970 61.970 63.825 -1.855 25793 386 1 . 1 1 68 68 ILE CB C 68 35.254 35.254 37.936 -2.682 25793 387 1 . 1 1 68 68 ILE H H 68 7.569 7.569 7.963 -0.394 25793 388 1 . 1 1 69 69 LEU N N 69 118.859 118.859 119.184 -0.325 25793 389 1 . 1 1 69 69 LEU HA H 69 4.127 4.127 4.451 -0.324 25793 390 1 . 1 1 69 69 LEU C C 69 176.859 176.859 178.321 -1.462 25793 391 1 . 1 1 69 69 LEU CA C 69 54.525 54.525 56.439 -1.914 25793 392 1 . 1 1 69 69 LEU CB C 69 38.150 38.150 42.415 -4.265 25793 393 1 . 1 1 69 69 LEU H H 69 8.305 8.305 7.441 0.864 25793 394 1 . 1 1 70 70 LYS N N 70 119.685 119.685 118.542 1.143 25793 395 1 . 1 1 70 70 LYS HA H 70 4.098 4.098 4.187 -0.089 25793 396 1 . 1 1 70 70 LYS C C 70 175.484 175.484 178.032 -2.548 25793 397 1 . 1 1 70 70 LYS CA C 70 55.580 55.580 58.406 -2.826 25793 398 1 . 1 1 70 70 LYS CB C 70 29.700 29.700 32.408 -2.708 25793 399 1 . 1 1 70 70 LYS H H 70 7.748 7.748 7.497 0.251 25793 400 1 . 1 1 71 71 GLU N N 71 118.055 118.055 118.669 -0.614 25793 401 1 . 1 1 71 71 GLU HA H 71 4.175 4.175 4.299 -0.124 25793 402 1 . 1 1 71 71 GLU C C 71 174.094 174.094 176.728 -2.635 25793 403 1 . 1 1 71 71 GLU CA C 71 54.411 54.411 57.621 -3.210 25793 404 1 . 1 1 71 71 GLU CB C 71 27.038 27.038 30.088 -3.050 25793 405 1 . 1 1 71 71 GLU H H 71 7.644 7.644 8.025 -0.381 25793 406 1 . 1 1 72 72 GLU N N 72 118.922 118.922 118.141 0.781 25793 407 1 . 1 1 72 72 GLU HA H 72 4.164 4.164 4.407 -0.243 25793 408 1 . 1 1 72 72 GLU C C 72 172.677 172.677 175.960 -3.283 25793 409 1 . 1 1 72 72 GLU CA C 72 53.047 53.047 56.738 -3.691 25793 410 1 . 1 1 72 72 GLU CB C 72 25.297 25.297 30.966 -5.669 25793 411 1 . 1 1 72 72 GLU H H 72 7.603 7.603 8.182 -0.579 25793 stop_ save_