data_25830 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25830 _Entry.PDB_ID 2N81 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 25830 _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 LEU N N 2 123.438 123.438 123.207 0.231 25830 2 1 1 . 1 1 2 2 LEU HA H 2 4.344 4.344 4.592 -0.248 25830 3 1 1 . 1 1 2 2 LEU C C 2 172.388 172.388 176.323 -3.935 25830 4 1 1 . 1 1 2 2 LEU CA C 2 52.560 52.560 55.005 -2.445 25830 5 1 1 . 1 1 2 2 LEU CB C 2 40.603 40.603 42.437 -1.834 25830 6 1 1 . 1 1 2 2 LEU H H 2 8.368 8.368 8.534 -0.166 25830 7 1 1 . 1 1 3 3 SER N N 3 119.868 119.868 119.047 0.821 25830 8 1 1 . 1 1 3 3 SER HA H 3 4.748 4.748 4.647 0.101 25830 9 1 1 . 1 1 3 3 SER C C 3 173.163 173.163 175.764 -2.601 25830 10 1 1 . 1 1 3 3 SER CA C 3 53.523 53.523 56.677 -3.154 25830 11 1 1 . 1 1 3 3 SER CB C 3 62.412 62.412 65.201 -2.789 25830 12 1 1 . 1 1 3 3 SER H H 3 8.550 8.550 8.361 0.189 25830 13 1 1 . 1 1 4 4 CYS N N 4 120.408 120.408 125.781 -5.373 25830 14 1 1 . 1 1 4 4 CYS HA H 4 4.586 4.586 4.295 0.291 25830 15 1 1 . 1 1 4 4 CYS C C 4 175.067 175.067 176.997 -1.930 25830 16 1 1 . 1 1 4 4 CYS CA C 4 52.166 52.166 60.383 -8.217 25830 17 1 1 . 1 1 4 4 CYS CB C 4 30.372 30.372 26.681 3.691 25830 18 1 1 . 1 1 4 4 CYS H H 4 9.222 9.222 9.115 0.107 25830 19 1 1 . 1 1 5 5 GLY N N 5 110.663 110.663 106.860 3.803 25830 20 1 1 . 1 1 5 5 GLY C C 5 174.023 174.023 175.475 -1.452 25830 21 1 1 . 1 1 5 5 GLY CA C 5 44.577 44.577 47.393 -2.816 25830 22 1 1 . 1 1 5 5 GLY H H 5 8.721 8.721 8.080 0.641 25830 23 1 1 . 1 1 6 6 THR N N 6 118.884 118.884 116.584 2.300 25830 24 1 1 . 1 1 6 6 THR HA H 6 4.031 4.031 4.470 -0.439 25830 25 1 1 . 1 1 6 6 THR C C 6 172.782 172.782 176.394 -3.612 25830 26 1 1 . 1 1 6 6 THR CA C 6 62.801 62.801 63.939 -1.138 25830 27 1 1 . 1 1 6 6 THR CB C 6 65.896 65.896 69.886 -3.990 25830 28 1 1 . 1 1 6 6 THR H H 6 7.676 7.676 7.911 -0.235 25830 29 1 1 . 1 1 7 7 VAL N N 7 120.789 120.789 122.926 -2.137 25830 30 1 1 . 1 1 7 7 VAL HA H 7 3.607 3.607 3.784 -0.177 25830 31 1 1 . 1 1 7 7 VAL C C 7 174.356 174.356 178.122 -3.766 25830 32 1 1 . 1 1 7 7 VAL CA C 7 63.774 63.774 66.203 -2.429 25830 33 1 1 . 1 1 7 7 VAL CB C 7 28.610 28.610 31.700 -3.090 25830 34 1 1 . 1 1 7 7 VAL H H 7 7.280 7.280 7.339 -0.059 25830 35 1 1 . 1 1 8 8 SER N N 8 114.047 114.047 114.184 -0.137 25830 36 1 1 . 1 1 8 8 SER HA H 8 3.858 3.858 4.149 -0.291 25830 37 1 1 . 1 1 8 8 SER C C 8 173.948 173.948 175.336 -1.388 25830 38 1 1 . 1 1 8 8 SER CA C 8 59.791 59.791 61.417 -1.626 25830 39 1 1 . 1 1 8 8 SER CB C 8 59.242 59.242 62.834 -3.592 25830 40 1 1 . 1 1 8 8 SER H H 8 8.501 8.501 7.842 0.659 25830 41 1 1 . 1 1 9 9 ALA N N 9 123.669 123.669 122.988 0.681 25830 42 1 1 . 1 1 9 9 ALA HA H 9 4.165 4.165 4.082 0.083 25830 43 1 1 . 1 1 9 9 ALA C C 9 177.740 177.740 178.543 -0.803 25830 44 1 1 . 1 1 9 9 ALA CA C 9 52.218 52.218 54.812 -2.594 25830 45 1 1 . 1 1 9 9 ALA CB C 9 15.348 15.348 18.258 -2.909 25830 46 1 1 . 1 1 9 9 ALA H H 9 7.685 7.685 7.513 0.172 25830 47 1 1 . 1 1 10 10 ASP N N 10 118.653 118.653 116.007 2.646 25830 48 1 1 . 1 1 10 10 ASP HA H 10 4.414 4.414 4.423 -0.009 25830 49 1 1 . 1 1 10 10 ASP C C 10 173.327 173.327 177.786 -4.459 25830 50 1 1 . 1 1 10 10 ASP CA C 10 53.357 53.357 55.892 -2.535 25830 51 1 1 . 1 1 10 10 ASP CB C 10 35.579 35.579 40.731 -5.152 25830 52 1 1 . 1 1 10 10 ASP H H 10 8.161 8.161 7.872 0.289 25830 53 1 1 . 1 1 11 11 LEU N N 11 115.104 115.104 120.279 -5.175 25830 54 1 1 . 1 1 11 11 LEU HA H 11 4.183 4.183 4.231 -0.048 25830 55 1 1 . 1 1 11 11 LEU C C 11 175.206 175.206 177.553 -2.347 25830 56 1 1 . 1 1 11 11 LEU CA C 11 51.360 51.360 56.333 -4.973 25830 57 1 1 . 1 1 11 11 LEU CB C 11 40.185 40.185 41.835 -1.650 25830 58 1 1 . 1 1 11 11 LEU H H 11 7.731 7.731 7.183 0.548 25830 59 1 1 . 1 1 12 12 ALA N N 12 124.133 124.133 122.991 1.142 25830 60 1 1 . 1 1 12 12 ALA HA H 12 4.309 4.309 4.144 0.166 25830 61 1 1 . 1 1 12 12 ALA C C 12 174.540 174.540 176.994 -2.454 25830 62 1 1 . 1 1 12 12 ALA CA C 12 54.075 54.075 56.620 -2.545 25830 63 1 1 . 1 1 12 12 ALA CB C 12 13.256 13.256 16.414 -3.158 25830 64 1 1 . 1 1 12 12 ALA H H 12 7.481 7.481 8.053 -0.572 25830 65 1 1 . 1 1 13 13 PRO HA H 13 4.674 4.674 4.476 0.198 25830 66 1 1 . 1 1 13 13 PRO C C 13 174.824 174.824 176.646 -1.822 25830 67 1 1 . 1 1 13 13 PRO CA C 13 61.982 61.982 64.497 -2.515 25830 68 1 1 . 1 1 13 13 PRO CB C 13 28.804 28.804 31.248 -2.444 25830 69 1 1 . 1 1 14 14 CYS N N 14 114.225 114.225 116.837 -2.612 25830 70 1 1 . 1 1 14 14 CYS HA H 14 4.722 4.722 4.635 0.087 25830 71 1 1 . 1 1 14 14 CYS C C 14 172.376 172.376 176.764 -4.388 25830 72 1 1 . 1 1 14 14 CYS CA C 14 51.481 51.481 60.208 -8.726 25830 73 1 1 . 1 1 14 14 CYS CB C 14 39.508 39.508 27.549 11.959 25830 74 1 1 . 1 1 14 14 CYS H H 14 8.938 8.938 7.604 1.334 25830 75 1 1 . 1 1 15 15 VAL N N 15 122.488 122.488 121.967 0.521 25830 76 1 1 . 1 1 15 15 VAL HA H 15 3.350 3.350 3.544 -0.194 25830 77 1 1 . 1 1 15 15 VAL C C 15 173.644 173.644 177.536 -3.892 25830 78 1 1 . 1 1 15 15 VAL CA C 15 66.608 66.608 67.215 -0.607 25830 79 1 1 . 1 1 15 15 VAL CB C 15 28.692 28.692 31.571 -2.879 25830 80 1 1 . 1 1 15 15 VAL H H 15 7.767 7.767 8.230 -0.463 25830 81 1 1 . 1 1 16 16 THR N N 16 112.169 112.169 115.255 -3.086 25830 82 1 1 . 1 1 16 16 THR HA H 16 4.012 4.012 3.960 0.052 25830 83 1 1 . 1 1 16 16 THR C C 16 175.021 175.021 176.230 -1.209 25830 84 1 1 . 1 1 16 16 THR CA C 16 63.879 63.879 66.607 -2.728 25830 85 1 1 . 1 1 16 16 THR CB C 16 65.364 65.364 68.927 -3.563 25830 86 1 1 . 1 1 16 16 THR H H 16 8.258 8.258 7.961 0.297 25830 87 1 1 . 1 1 17 17 TYR N N 17 124.563 124.563 120.754 3.809 25830 88 1 1 . 1 1 17 17 TYR HA H 17 4.265 4.265 4.392 -0.127 25830 89 1 1 . 1 1 17 17 TYR C C 17 174.326 174.326 177.484 -3.158 25830 90 1 1 . 1 1 17 17 TYR CA C 17 58.001 58.001 59.995 -1.994 25830 91 1 1 . 1 1 17 17 TYR CB C 17 35.252 35.252 38.285 -3.033 25830 92 1 1 . 1 1 17 17 TYR H H 17 8.280 8.280 7.686 0.594 25830 93 1 1 . 1 1 18 18 LEU N N 18 119.213 119.213 118.472 0.741 25830 94 1 1 . 1 1 18 18 LEU HA H 18 3.630 3.630 3.783 -0.153 25830 95 1 1 . 1 1 18 18 LEU C C 18 172.858 172.858 177.831 -4.973 25830 96 1 1 . 1 1 18 18 LEU CA C 18 54.171 54.171 56.927 -2.756 25830 97 1 1 . 1 1 18 18 LEU CB C 18 38.310 38.310 41.829 -3.519 25830 98 1 1 . 1 1 18 18 LEU H H 18 8.394 8.394 7.541 0.853 25830 99 1 1 . 1 1 19 19 GLN N N 19 114.782 114.782 114.308 0.474 25830 100 1 1 . 1 1 19 19 GLN HA H 19 4.582 4.582 4.599 -0.017 25830 101 1 1 . 1 1 19 19 GLN C C 19 172.754 172.754 175.466 -2.712 25830 102 1 1 . 1 1 19 19 GLN CA C 19 52.320 52.320 55.011 -2.691 25830 103 1 1 . 1 1 19 19 GLN CB C 19 27.954 27.954 29.562 -1.608 25830 104 1 1 . 1 1 19 19 GLN H H 19 7.319 7.319 7.468 -0.149 25830 105 1 1 . 1 1 20 20 ALA N N 20 126.473 126.473 124.211 2.262 25830 106 1 1 . 1 1 20 20 ALA HA H 20 4.494 4.494 4.593 -0.099 25830 107 1 1 . 1 1 20 20 ALA C C 20 171.072 171.072 175.547 -4.475 25830 108 1 1 . 1 1 20 20 ALA CA C 20 48.862 48.862 50.267 -1.405 25830 109 1 1 . 1 1 20 20 ALA CB C 20 15.610 15.610 18.559 -2.949 25830 110 1 1 . 1 1 20 20 ALA H H 20 7.292 7.292 7.102 0.190 25830 111 1 1 . 1 1 21 21 PRO HA H 21 4.440 4.440 4.450 -0.010 25830 112 1 1 . 1 1 21 21 PRO C C 21 174.052 174.052 176.923 -2.871 25830 113 1 1 . 1 1 21 21 PRO CA C 21 59.522 59.522 61.920 -2.398 25830 114 1 1 . 1 1 21 21 PRO CB C 21 29.853 29.853 32.561 -2.708 25830 115 1 1 . 1 1 22 22 ASN N N 22 117.448 117.448 118.049 -0.601 25830 116 1 1 . 1 1 22 22 ASN HA H 22 4.754 4.754 4.553 0.201 25830 117 1 1 . 1 1 22 22 ASN C C 22 173.299 173.299 176.633 -3.334 25830 118 1 1 . 1 1 22 22 ASN CA C 22 51.478 51.478 55.742 -4.264 25830 119 1 1 . 1 1 22 22 ASN CB C 22 35.291 35.291 38.070 -2.779 25830 120 1 1 . 1 1 22 22 ASN H H 22 8.466 8.466 8.700 -0.234 25830 121 1 1 . 1 1 23 23 ASN N N 23 113.171 113.171 115.252 -2.081 25830 122 1 1 . 1 1 23 23 ASN HA H 23 4.555 4.555 4.612 -0.057 25830 123 1 1 . 1 1 23 23 ASN C C 23 172.210 172.210 174.740 -2.530 25830 124 1 1 . 1 1 23 23 ASN CA C 23 50.626 50.626 53.114 -2.488 25830 125 1 1 . 1 1 23 23 ASN CB C 23 34.278 34.278 38.473 -4.195 25830 126 1 1 . 1 1 23 23 ASN H H 23 8.187 8.187 8.174 0.013 25830 127 1 1 . 1 1 24 24 ALA N N 24 122.578 122.578 122.243 0.335 25830 128 1 1 . 1 1 24 24 ALA HA H 24 4.394 4.394 4.541 -0.147 25830 129 1 1 . 1 1 24 24 ALA C C 24 173.708 173.708 176.290 -2.582 25830 130 1 1 . 1 1 24 24 ALA CA C 24 49.696 49.696 52.372 -2.676 25830 131 1 1 . 1 1 24 24 ALA CB C 24 18.288 18.288 20.227 -1.939 25830 132 1 1 . 1 1 24 24 ALA H H 24 7.381 7.381 7.503 -0.122 25830 133 1 1 . 1 1 25 25 SER N N 25 115.237 115.237 115.761 -0.524 25830 134 1 1 . 1 1 25 25 SER HA H 25 4.922 4.922 4.629 0.293 25830 135 1 1 . 1 1 25 25 SER C C 25 181.107 181.107 172.373 8.734 25830 136 1 1 . 1 1 25 25 SER CA C 25 53.033 53.033 55.478 -2.445 25830 137 1 1 . 1 1 25 25 SER CB C 25 61.549 61.549 64.880 -3.331 25830 138 1 1 . 1 1 25 25 SER H H 25 8.649 8.649 8.263 0.386 25830 139 1 1 . 1 1 26 26 PRO HA H 26 4.014 4.014 4.280 -0.266 25830 140 1 1 . 1 1 26 26 PRO CA C 26 57.292 57.292 61.474 -4.183 25830 141 1 1 . 1 1 26 26 PRO CB C 26 27.450 27.450 30.976 -3.526 25830 142 1 1 . 1 1 27 27 PRO HA H 27 4.881 4.881 4.705 0.176 25830 143 1 1 . 1 1 27 27 PRO CA C 27 58.500 58.500 60.871 -2.371 25830 144 1 1 . 1 1 27 27 PRO CB C 27 28.489 28.489 31.091 -2.602 25830 145 1 1 . 1 1 28 28 PRO HA H 28 4.421 4.421 4.258 0.163 25830 146 1 1 . 1 1 28 28 PRO CA C 28 64.505 64.505 66.538 -2.034 25830 147 1 1 . 1 1 28 28 PRO CB C 28 26.217 26.217 29.783 -3.566 25830 148 1 1 . 1 1 29 29 PRO HA H 29 4.477 4.477 4.403 0.074 25830 149 1 1 . 1 1 29 29 PRO C C 29 177.330 177.330 178.573 -1.243 25830 150 1 1 . 1 1 29 29 PRO CA C 29 62.883 62.883 65.179 -2.296 25830 151 1 1 . 1 1 29 29 PRO CB C 29 28.301 28.301 31.185 -2.884 25830 152 1 1 . 1 1 30 30 CYS N N 30 114.694 114.694 117.963 -3.269 25830 153 1 1 . 1 1 30 30 CYS HA H 30 4.456 4.456 4.284 0.172 25830 154 1 1 . 1 1 30 30 CYS C C 30 172.260 172.260 176.677 -4.417 25830 155 1 1 . 1 1 30 30 CYS CA C 30 55.585 55.585 61.416 -5.831 25830 156 1 1 . 1 1 30 30 CYS CB C 30 34.602 34.602 25.928 8.674 25830 157 1 1 . 1 1 30 30 CYS H H 30 7.637 7.637 7.616 0.021 25830 158 1 1 . 1 1 31 31 CYS N N 31 116.335 116.335 120.527 -4.192 25830 159 1 1 . 1 1 31 31 CYS HA H 31 4.607 4.607 4.085 0.522 25830 160 1 1 . 1 1 31 31 CYS C C 31 174.401 174.401 177.201 -2.800 25830 161 1 1 . 1 1 31 31 CYS CA C 31 51.858 51.858 62.746 -10.889 25830 162 1 1 . 1 1 31 31 CYS CB C 31 29.979 29.979 25.556 4.423 25830 163 1 1 . 1 1 31 31 CYS H H 31 7.083 7.083 8.040 -0.957 25830 164 1 1 . 1 1 32 32 ALA N N 32 121.738 121.738 121.510 0.228 25830 165 1 1 . 1 1 32 32 ALA HA H 32 4.070 4.070 3.971 0.099 25830 166 1 1 . 1 1 32 32 ALA C C 32 177.730 177.730 179.426 -1.696 25830 167 1 1 . 1 1 32 32 ALA CA C 32 52.557 52.557 55.262 -2.705 25830 168 1 1 . 1 1 32 32 ALA CB C 32 15.204 15.204 17.952 -2.748 25830 169 1 1 . 1 1 32 32 ALA H H 32 8.481 8.481 7.824 0.657 25830 170 1 1 . 1 1 33 33 GLY N N 33 108.715 108.715 106.629 2.086 25830 171 1 1 . 1 1 33 33 GLY C C 33 172.825 172.825 176.168 -3.343 25830 172 1 1 . 1 1 33 33 GLY CA C 33 44.748 44.748 47.256 -2.508 25830 173 1 1 . 1 1 33 33 GLY H H 33 7.683 7.683 7.818 -0.135 25830 174 1 1 . 1 1 34 34 VAL N N 34 121.079 121.079 121.343 -0.264 25830 175 1 1 . 1 1 34 34 VAL HA H 34 3.489 3.489 3.658 -0.169 25830 176 1 1 . 1 1 34 34 VAL C C 34 174.764 174.764 178.427 -3.663 25830 177 1 1 . 1 1 34 34 VAL CA C 34 63.930 63.930 66.112 -2.183 25830 178 1 1 . 1 1 34 34 VAL CB C 34 29.037 29.037 31.657 -2.620 25830 179 1 1 . 1 1 34 34 VAL H H 34 8.085 8.085 7.496 0.589 25830 180 1 1 . 1 1 35 35 LYS N N 35 117.845 117.845 119.296 -1.451 25830 181 1 1 . 1 1 35 35 LYS HA H 35 3.814 3.814 4.040 -0.226 25830 182 1 1 . 1 1 35 35 LYS C C 35 176.677 176.677 179.140 -2.463 25830 183 1 1 . 1 1 35 35 LYS CA C 35 57.849 57.849 59.418 -1.569 25830 184 1 1 . 1 1 35 35 LYS CB C 35 29.635 29.635 31.996 -2.361 25830 185 1 1 . 1 1 35 35 LYS H H 35 8.089 8.089 7.631 0.458 25830 186 1 1 . 1 1 36 36 LYS N N 36 120.507 120.507 120.889 -0.382 25830 187 1 1 . 1 1 36 36 LYS HA H 36 3.946 3.946 4.057 -0.111 25830 188 1 1 . 1 1 36 36 LYS C C 36 176.481 176.481 178.720 -2.239 25830 189 1 1 . 1 1 36 36 LYS CA C 36 56.889 56.889 58.995 -2.106 25830 190 1 1 . 1 1 36 36 LYS CB C 36 29.999 29.999 32.218 -2.219 25830 191 1 1 . 1 1 36 36 LYS H H 36 7.940 7.940 7.746 0.194 25830 192 1 1 . 1 1 37 37 LEU N N 37 121.929 121.929 119.555 2.374 25830 193 1 1 . 1 1 37 37 LEU HA H 37 4.012 4.012 3.927 0.085 25830 194 1 1 . 1 1 37 37 LEU C C 37 175.490 175.490 178.443 -2.953 25830 195 1 1 . 1 1 37 37 LEU CA C 37 55.567 55.567 57.481 -1.914 25830 196 1 1 . 1 1 37 37 LEU CB C 37 38.621 38.621 41.468 -2.847 25830 197 1 1 . 1 1 37 37 LEU H H 37 7.882 7.882 7.602 0.280 25830 198 1 1 . 1 1 38 38 LEU N N 38 117.061 117.061 119.012 -1.951 25830 199 1 1 . 1 1 38 38 LEU HA H 38 4.050 4.050 4.023 0.027 25830 200 1 1 . 1 1 38 38 LEU C C 38 177.275 177.275 178.507 -1.232 25830 201 1 1 . 1 1 38 38 LEU CA C 38 54.535 54.535 57.640 -3.105 25830 202 1 1 . 1 1 38 38 LEU CB C 38 38.448 38.448 41.634 -3.186 25830 203 1 1 . 1 1 38 38 LEU H H 38 7.812 7.812 7.416 0.396 25830 204 1 1 . 1 1 39 39 ALA N N 39 119.986 119.986 119.045 0.941 25830 205 1 1 . 1 1 39 39 ALA HA H 39 4.105 4.105 4.310 -0.205 25830 206 1 1 . 1 1 39 39 ALA C C 39 175.721 175.721 178.026 -2.305 25830 207 1 1 . 1 1 39 39 ALA CA C 39 50.910 50.910 52.416 -1.506 25830 208 1 1 . 1 1 39 39 ALA CB C 39 15.545 15.545 18.885 -3.340 25830 209 1 1 . 1 1 39 39 ALA H H 39 7.914 7.914 7.624 0.290 25830 210 1 1 . 1 1 40 40 ALA N N 40 118.015 118.015 122.005 -3.990 25830 211 1 1 . 1 1 40 40 ALA HA H 40 4.266 4.266 4.182 0.084 25830 212 1 1 . 1 1 40 40 ALA C C 40 174.416 174.416 178.123 -3.707 25830 213 1 1 . 1 1 40 40 ALA CA C 40 49.886 49.886 53.736 -3.850 25830 214 1 1 . 1 1 40 40 ALA CB C 40 16.330 16.330 19.399 -3.069 25830 215 1 1 . 1 1 40 40 ALA H H 40 7.302 7.302 7.543 -0.241 25830 216 1 1 . 1 1 41 41 ALA N N 41 122.389 122.389 117.986 4.403 25830 217 1 1 . 1 1 41 41 ALA HA H 41 4.605 4.605 4.247 0.358 25830 218 1 1 . 1 1 41 41 ALA C C 41 172.709 172.709 176.414 -3.705 25830 219 1 1 . 1 1 41 41 ALA CA C 41 47.917 47.917 52.085 -4.168 25830 220 1 1 . 1 1 41 41 ALA CB C 41 15.072 15.072 19.805 -4.733 25830 221 1 1 . 1 1 41 41 ALA H H 41 7.304 7.304 7.566 -0.262 25830 222 1 1 . 1 1 42 42 THR N N 42 113.142 113.142 110.173 2.969 25830 223 1 1 . 1 1 42 42 THR HA H 42 4.422 4.422 4.424 -0.002 25830 224 1 1 . 1 1 42 42 THR C C 42 172.086 172.086 174.647 -2.561 25830 225 1 1 . 1 1 42 42 THR CA C 42 59.772 59.772 62.474 -2.701 25830 226 1 1 . 1 1 42 42 THR CB C 42 66.992 66.992 68.967 -1.975 25830 227 1 1 . 1 1 42 42 THR H H 42 8.663 8.663 8.387 0.276 25830 228 1 1 . 1 1 43 43 THR N N 43 111.501 111.501 111.612 -0.111 25830 229 1 1 . 1 1 43 43 THR HA H 43 4.704 4.704 4.590 0.114 25830 230 1 1 . 1 1 43 43 THR C C 43 172.283 172.283 175.112 -2.829 25830 231 1 1 . 1 1 43 43 THR CA C 43 56.869 56.869 59.746 -2.877 25830 232 1 1 . 1 1 43 43 THR CB C 43 69.211 69.211 71.535 -2.324 25830 233 1 1 . 1 1 43 43 THR H H 43 7.705 7.705 7.441 0.264 25830 234 1 1 . 1 1 44 44 THR N N 44 119.157 119.157 114.763 4.394 25830 235 1 1 . 1 1 44 44 THR HA H 44 3.861 3.861 4.259 -0.398 25830 236 1 1 . 1 1 44 44 THR CA C 44 66.420 66.420 67.067 -0.647 25830 237 1 1 . 1 1 44 44 THR CB C 44 63.702 63.702 66.897 -3.195 25830 238 1 1 . 1 1 44 44 THR H H 44 9.305 9.305 8.394 0.911 25830 239 1 1 . 1 1 45 45 PRO HA H 45 4.345 4.345 4.442 -0.097 25830 240 1 1 . 1 1 45 45 PRO C C 45 177.238 177.238 177.962 -0.724 25830 241 1 1 . 1 1 45 45 PRO CA C 45 63.192 63.192 65.154 -1.962 25830 242 1 1 . 1 1 45 45 PRO CB C 45 28.232 28.232 31.389 -3.156 25830 243 1 1 . 1 1 46 46 ASP N N 46 117.412 117.412 119.321 -1.909 25830 244 1 1 . 1 1 46 46 ASP HA H 46 4.571 4.571 4.377 0.194 25830 245 1 1 . 1 1 46 46 ASP C C 46 175.358 175.358 178.013 -2.655 25830 246 1 1 . 1 1 46 46 ASP CA C 46 54.436 54.436 56.791 -2.355 25830 247 1 1 . 1 1 46 46 ASP CB C 46 37.884 37.884 40.369 -2.485 25830 248 1 1 . 1 1 46 46 ASP H H 46 7.238 7.238 8.234 -0.996 25830 249 1 1 . 1 1 47 47 ARG N N 47 122.342 122.342 118.178 4.164 25830 250 1 1 . 1 1 47 47 ARG HA H 47 3.754 3.754 4.082 -0.328 25830 251 1 1 . 1 1 47 47 ARG C C 47 176.688 176.688 178.810 -2.122 25830 252 1 1 . 1 1 47 47 ARG CA C 47 57.351 57.351 58.794 -1.442 25830 253 1 1 . 1 1 47 47 ARG CB C 47 26.606 26.606 30.012 -3.406 25830 254 1 1 . 1 1 47 47 ARG H H 47 8.383 8.383 7.498 0.885 25830 255 1 1 . 1 1 48 48 GLN N N 48 120.813 120.813 118.225 2.588 25830 256 1 1 . 1 1 48 48 GLN HA H 48 3.650 3.650 4.109 -0.459 25830 257 1 1 . 1 1 48 48 GLN C C 48 175.354 175.354 177.563 -2.209 25830 258 1 1 . 1 1 48 48 GLN CA C 48 56.742 56.742 58.378 -1.636 25830 259 1 1 . 1 1 48 48 GLN CB C 48 25.406 25.406 28.138 -2.732 25830 260 1 1 . 1 1 48 48 GLN H H 48 8.176 8.176 7.679 0.497 25830 261 1 1 . 1 1 49 49 ALA N N 49 122.476 122.476 121.362 1.114 25830 262 1 1 . 1 1 49 49 ALA HA H 49 4.224 4.224 4.004 0.220 25830 263 1 1 . 1 1 49 49 ALA C C 49 177.581 177.581 179.150 -1.569 25830 264 1 1 . 1 1 49 49 ALA CA C 49 52.410 52.410 54.767 -2.357 25830 265 1 1 . 1 1 49 49 ALA CB C 49 15.305 15.305 18.028 -2.723 25830 266 1 1 . 1 1 49 49 ALA H H 49 8.079 8.079 7.483 0.596 25830 267 1 1 . 1 1 50 50 ALA N N 50 121.104 121.104 120.147 0.957 25830 268 1 1 . 1 1 50 50 ALA HA H 50 3.686 3.686 3.985 -0.299 25830 269 1 1 . 1 1 50 50 ALA C C 50 175.478 175.478 178.729 -3.251 25830 270 1 1 . 1 1 50 50 ALA CA C 50 53.344 53.344 55.181 -1.837 25830 271 1 1 . 1 1 50 50 ALA CB C 50 14.032 14.032 17.977 -3.946 25830 272 1 1 . 1 1 50 50 ALA H H 50 8.494 8.494 7.656 0.838 25830 273 1 1 . 1 1 51 51 CYS N N 51 117.063 117.063 118.003 -0.940 25830 274 1 1 . 1 1 51 51 CYS HA H 51 4.091 4.091 4.159 -0.068 25830 275 1 1 . 1 1 51 51 CYS C C 51 173.692 173.692 176.258 -2.566 25830 276 1 1 . 1 1 51 51 CYS CA C 51 57.660 57.660 61.912 -4.252 25830 277 1 1 . 1 1 51 51 CYS CB C 51 34.278 34.278 26.183 8.095 25830 278 1 1 . 1 1 51 51 CYS H H 51 7.466 7.466 8.053 -0.587 25830 279 1 1 . 1 1 52 52 ASN N N 52 120.867 120.867 117.995 2.872 25830 280 1 1 . 1 1 52 52 ASN HA H 52 4.403 4.403 4.630 -0.227 25830 281 1 1 . 1 1 52 52 ASN C C 52 176.290 176.290 177.241 -0.951 25830 282 1 1 . 1 1 52 52 ASN CA C 52 54.177 54.177 55.924 -1.747 25830 283 1 1 . 1 1 52 52 ASN CB C 52 36.302 36.302 37.714 -1.412 25830 284 1 1 . 1 1 52 52 ASN H H 52 8.164 8.164 7.779 0.385 25830 285 1 1 . 1 1 53 53 CYS N N 53 119.542 119.542 119.106 0.436 25830 286 1 1 . 1 1 53 53 CYS HA H 53 4.543 4.543 4.229 0.314 25830 287 1 1 . 1 1 53 53 CYS C C 53 175.294 175.294 176.858 -1.564 25830 288 1 1 . 1 1 53 53 CYS CA C 53 53.637 53.637 62.363 -8.726 25830 289 1 1 . 1 1 53 53 CYS CB C 53 34.302 34.302 26.246 8.056 25830 290 1 1 . 1 1 53 53 CYS H H 53 8.974 8.974 7.960 1.014 25830 291 1 1 . 1 1 54 54 LEU N N 54 124.510 124.510 118.576 5.934 25830 292 1 1 . 1 1 54 54 LEU HA H 54 3.964 3.964 4.020 -0.056 25830 293 1 1 . 1 1 54 54 LEU C C 54 175.082 175.082 179.101 -4.019 25830 294 1 1 . 1 1 54 54 LEU CA C 54 55.725 55.725 57.309 -1.585 25830 295 1 1 . 1 1 54 54 LEU CB C 54 39.035 39.035 41.493 -2.458 25830 296 1 1 . 1 1 54 54 LEU H H 54 8.794 8.794 8.011 0.783 25830 297 1 1 . 1 1 55 55 LYS N N 55 120.615 120.615 118.493 2.122 25830 298 1 1 . 1 1 55 55 LYS HA H 55 3.929 3.929 3.986 -0.057 25830 299 1 1 . 1 1 55 55 LYS C C 55 176.860 176.860 178.303 -1.443 25830 300 1 1 . 1 1 55 55 LYS CA C 55 57.089 57.089 59.264 -2.175 25830 301 1 1 . 1 1 55 55 LYS CB C 55 30.420 30.420 32.348 -1.928 25830 302 1 1 . 1 1 55 55 LYS H H 55 8.119 8.119 7.490 0.629 25830 303 1 1 . 1 1 56 56 SER N N 56 113.653 113.653 115.082 -1.429 25830 304 1 1 . 1 1 56 56 SER HA H 56 4.202 4.202 4.292 -0.090 25830 305 1 1 . 1 1 56 56 SER C C 56 175.009 175.009 176.801 -1.792 25830 306 1 1 . 1 1 56 56 SER CA C 56 58.397 58.397 61.017 -2.620 25830 307 1 1 . 1 1 56 56 SER CB C 56 60.063 60.063 63.156 -3.093 25830 308 1 1 . 1 1 56 56 SER H H 56 7.746 7.746 7.590 0.156 25830 309 1 1 . 1 1 57 57 ALA N N 57 125.184 125.184 123.048 2.136 25830 310 1 1 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.146 -0.073 25830 311 1 1 . 1 1 57 57 ALA C C 57 177.735 177.735 179.308 -1.573 25830 312 1 1 . 1 1 57 57 ALA CA C 57 52.222 52.222 54.330 -2.108 25830 313 1 1 . 1 1 57 57 ALA CB C 57 14.710 14.710 18.252 -3.542 25830 314 1 1 . 1 1 57 57 ALA H H 57 8.370 8.370 7.761 0.609 25830 315 1 1 . 1 1 58 58 ALA N N 58 119.288 119.288 121.504 -2.216 25830 316 1 1 . 1 1 58 58 ALA HA H 58 3.873 3.873 4.080 -0.207 25830 317 1 1 . 1 1 58 58 ALA C C 58 176.201 176.201 179.111 -2.910 25830 318 1 1 . 1 1 58 58 ALA CA C 58 52.154 52.154 54.280 -2.126 25830 319 1 1 . 1 1 58 58 ALA CB C 58 13.944 13.944 18.476 -4.532 25830 320 1 1 . 1 1 58 58 ALA H H 58 8.355 8.355 7.610 0.745 25830 321 1 1 . 1 1 59 59 GLY N N 59 101.896 101.896 104.968 -3.072 25830 322 1 1 . 1 1 59 59 GLY C C 59 171.619 171.619 174.635 -3.016 25830 323 1 1 . 1 1 59 59 GLY CA C 59 43.245 43.245 45.601 -2.356 25830 324 1 1 . 1 1 59 59 GLY H H 59 7.613 7.613 7.898 -0.285 25830 325 1 1 . 1 1 60 60 SER N N 60 114.297 114.297 114.725 -0.428 25830 326 1 1 . 1 1 60 60 SER HA H 60 4.548 4.548 4.578 -0.030 25830 327 1 1 . 1 1 60 60 SER C C 60 171.232 171.232 174.159 -2.927 25830 328 1 1 . 1 1 60 60 SER CA C 60 55.817 55.817 57.462 -1.645 25830 329 1 1 . 1 1 60 60 SER CB C 60 61.793 61.793 64.158 -2.365 25830 330 1 1 . 1 1 60 60 SER H H 60 7.570 7.570 7.697 -0.127 25830 331 1 1 . 1 1 61 61 ILE N N 61 125.096 125.096 125.861 -0.765 25830 332 1 1 . 1 1 61 61 ILE HA H 61 4.272 4.272 4.519 -0.247 25830 333 1 1 . 1 1 61 61 ILE C C 61 170.966 170.966 174.440 -3.474 25830 334 1 1 . 1 1 61 61 ILE CA C 61 56.364 56.364 58.147 -1.783 25830 335 1 1 . 1 1 61 61 ILE CB C 61 36.307 36.307 39.111 -2.804 25830 336 1 1 . 1 1 61 61 ILE H H 61 7.222 7.222 7.440 -0.218 25830 337 1 1 . 1 1 62 62 PRO HA H 62 4.317 4.317 4.373 -0.056 25830 338 1 1 . 1 1 62 62 PRO C C 62 173.935 173.935 176.298 -2.363 25830 339 1 1 . 1 1 62 62 PRO CA C 62 60.634 60.634 63.181 -2.547 25830 340 1 1 . 1 1 62 62 PRO CB C 62 29.399 29.399 31.689 -2.290 25830 341 1 1 . 1 1 63 63 LYS N N 63 115.837 115.837 117.239 -1.402 25830 342 1 1 . 1 1 63 63 LYS HA H 63 3.916 3.916 3.805 0.111 25830 343 1 1 . 1 1 63 63 LYS C C 63 172.800 172.800 176.164 -3.364 25830 344 1 1 . 1 1 63 63 LYS CA C 63 53.303 53.303 56.726 -3.423 25830 345 1 1 . 1 1 63 63 LYS CB C 63 26.973 26.973 30.440 -3.467 25830 346 1 1 . 1 1 63 63 LYS H H 63 8.584 8.584 8.481 0.103 25830 347 1 1 . 1 1 64 64 LEU N N 64 118.672 118.672 120.401 -1.729 25830 348 1 1 . 1 1 64 64 LEU HA H 64 3.625 3.625 4.022 -0.397 25830 349 1 1 . 1 1 64 64 LEU C C 64 173.690 173.690 176.024 -2.334 25830 350 1 1 . 1 1 64 64 LEU CA C 64 53.929 53.929 56.011 -2.082 25830 351 1 1 . 1 1 64 64 LEU CB C 64 39.878 39.878 42.221 -2.343 25830 352 1 1 . 1 1 64 64 LEU H H 64 7.116 7.116 7.555 -0.439 25830 353 1 1 . 1 1 65 65 ASN N N 65 125.562 125.562 125.336 0.226 25830 354 1 1 . 1 1 65 65 ASN HA H 65 4.879 4.879 4.994 -0.115 25830 355 1 1 . 1 1 65 65 ASN C C 65 174.338 174.338 175.654 -1.316 25830 356 1 1 . 1 1 65 65 ASN CA C 65 48.862 48.862 51.566 -2.704 25830 357 1 1 . 1 1 65 65 ASN CB C 65 34.238 34.238 39.363 -5.125 25830 358 1 1 . 1 1 65 65 ASN H H 65 9.348 9.348 8.567 0.781 25830 359 1 1 . 1 1 66 66 THR N N 66 118.448 118.448 118.170 0.278 25830 360 1 1 . 1 1 66 66 THR HA H 66 3.840 3.840 3.937 -0.097 25830 361 1 1 . 1 1 66 66 THR C C 66 174.820 174.820 175.927 -1.107 25830 362 1 1 . 1 1 66 66 THR CA C 66 62.576 62.576 65.697 -3.121 25830 363 1 1 . 1 1 66 66 THR CB C 66 65.348 65.348 68.883 -3.535 25830 364 1 1 . 1 1 66 66 THR H H 66 8.735 8.735 8.546 0.189 25830 365 1 1 . 1 1 67 67 ASN N N 67 121.545 121.545 118.661 2.884 25830 366 1 1 . 1 1 67 67 ASN HA H 67 4.460 4.460 4.451 0.009 25830 367 1 1 . 1 1 67 67 ASN C C 67 174.825 174.825 177.958 -3.133 25830 368 1 1 . 1 1 67 67 ASN CA C 67 53.781 53.781 55.884 -2.103 25830 369 1 1 . 1 1 67 67 ASN CB C 67 35.495 35.495 38.564 -3.069 25830 370 1 1 . 1 1 67 67 ASN H H 67 8.229 8.229 8.249 -0.020 25830 371 1 1 . 1 1 68 68 ASN N N 68 122.399 122.399 118.590 3.809 25830 372 1 1 . 1 1 68 68 ASN HA H 68 4.463 4.463 4.429 0.034 25830 373 1 1 . 1 1 68 68 ASN C C 68 175.357 175.357 176.285 -0.928 25830 374 1 1 . 1 1 68 68 ASN CA C 68 52.009 52.009 55.642 -3.633 25830 375 1 1 . 1 1 68 68 ASN CB C 68 32.853 32.853 37.924 -5.071 25830 376 1 1 . 1 1 68 68 ASN H H 68 7.153 7.153 7.833 -0.680 25830 377 1 1 . 1 1 69 69 ALA N N 69 123.588 123.588 120.281 3.307 25830 378 1 1 . 1 1 69 69 ALA HA H 69 3.930 3.930 4.028 -0.098 25830 379 1 1 . 1 1 69 69 ALA C C 69 175.919 175.919 178.241 -2.322 25830 380 1 1 . 1 1 69 69 ALA CA C 69 53.087 53.087 54.140 -1.053 25830 381 1 1 . 1 1 69 69 ALA CB C 69 14.867 14.867 18.451 -3.584 25830 382 1 1 . 1 1 69 69 ALA H H 69 7.942 7.942 7.357 0.585 25830 383 1 1 . 1 1 70 70 ALA N N 70 117.736 117.736 120.170 -2.434 25830 384 1 1 . 1 1 70 70 ALA HA H 70 4.250 4.250 4.148 0.102 25830 385 1 1 . 1 1 70 70 ALA C C 70 176.704 176.704 178.773 -2.069 25830 386 1 1 . 1 1 70 70 ALA CA C 70 51.706 51.706 54.410 -2.704 25830 387 1 1 . 1 1 70 70 ALA CB C 70 15.507 15.507 19.149 -3.642 25830 388 1 1 . 1 1 70 70 ALA H H 70 7.574 7.574 7.404 0.170 25830 389 1 1 . 1 1 71 71 ALA N N 71 117.858 117.858 120.661 -2.803 25830 390 1 1 . 1 1 71 71 ALA HA H 71 4.321 4.321 4.416 -0.095 25830 391 1 1 . 1 1 71 71 ALA C C 71 175.190 175.190 179.190 -4.000 25830 392 1 1 . 1 1 71 71 ALA CA C 71 50.142 50.142 53.690 -3.548 25830 393 1 1 . 1 1 71 71 ALA CB C 71 16.908 16.908 18.399 -1.491 25830 394 1 1 . 1 1 71 71 ALA H H 71 7.676 7.676 7.421 0.255 25830 395 1 1 . 1 1 72 72 LEU N N 72 117.566 117.566 122.152 -4.586 25830 396 1 1 . 1 1 72 72 LEU HA H 72 4.097 4.097 4.156 -0.059 25830 397 1 1 . 1 1 72 72 LEU C C 72 170.406 170.406 175.407 -5.001 25830 398 1 1 . 1 1 72 72 LEU CA C 72 57.688 57.688 59.597 -1.909 25830 399 1 1 . 1 1 72 72 LEU CB C 72 36.632 36.632 39.736 -3.104 25830 400 1 1 . 1 1 72 72 LEU H H 72 7.494 7.494 7.886 -0.392 25830 401 1 1 . 1 1 73 73 PRO HA H 73 3.793 3.793 4.303 -0.510 25830 402 1 1 . 1 1 73 73 PRO C C 73 176.416 176.416 179.183 -2.767 25830 403 1 1 . 1 1 73 73 PRO CA C 73 64.431 64.431 65.608 -1.177 25830 404 1 1 . 1 1 73 73 PRO CB C 73 27.928 27.928 30.812 -2.884 25830 405 1 1 . 1 1 74 74 GLY N N 74 106.170 106.170 108.186 -2.016 25830 406 1 1 . 1 1 74 74 GLY C C 74 176.081 176.081 176.971 -0.890 25830 407 1 1 . 1 1 74 74 GLY CA C 74 44.577 44.577 47.320 -2.743 25830 408 1 1 . 1 1 74 74 GLY H H 74 8.374 8.374 7.818 0.556 25830 409 1 1 . 1 1 75 75 LYS N N 75 121.379 121.379 121.588 -0.209 25830 410 1 1 . 1 1 75 75 LYS HA H 75 4.162 4.162 4.102 0.060 25830 411 1 1 . 1 1 75 75 LYS C C 75 175.735 175.735 178.501 -2.766 25830 412 1 1 . 1 1 75 75 LYS CA C 75 56.053 56.053 58.560 -2.507 25830 413 1 1 . 1 1 75 75 LYS CB C 75 30.087 30.087 32.274 -2.187 25830 414 1 1 . 1 1 75 75 LYS H H 75 8.417 8.417 8.005 0.412 25830 415 1 1 . 1 1 76 76 CYS N N 76 115.021 115.021 116.108 -1.087 25830 416 1 1 . 1 1 76 76 CYS HA H 76 4.895 4.895 4.364 0.531 25830 417 1 1 . 1 1 76 76 CYS C C 76 172.300 172.300 175.439 -3.139 25830 418 1 1 . 1 1 76 76 CYS CA C 76 49.730 49.730 59.724 -9.994 25830 419 1 1 . 1 1 76 76 CYS CB C 76 32.817 32.817 26.827 5.990 25830 420 1 1 . 1 1 76 76 CYS H H 76 7.756 7.756 7.617 0.139 25830 421 1 1 . 1 1 77 77 GLY N N 77 109.352 109.352 107.674 1.678 25830 422 1 1 . 1 1 77 77 GLY C C 77 171.753 171.753 174.211 -2.458 25830 423 1 1 . 1 1 77 77 GLY CA C 77 43.794 43.794 45.439 -1.645 25830 424 1 1 . 1 1 77 77 GLY H H 77 7.894 7.894 8.239 -0.345 25830 425 1 1 . 1 1 78 78 VAL N N 78 115.528 115.528 116.899 -1.371 25830 426 1 1 . 1 1 78 78 VAL HA H 78 4.491 4.491 4.409 0.082 25830 427 1 1 . 1 1 78 78 VAL C C 78 171.256 171.256 174.304 -3.048 25830 428 1 1 . 1 1 78 78 VAL CA C 78 56.800 56.800 61.432 -4.632 25830 429 1 1 . 1 1 78 78 VAL CB C 78 31.741 31.741 33.138 -1.397 25830 430 1 1 . 1 1 78 78 VAL H H 78 8.137 8.137 7.402 0.735 25830 431 1 1 . 1 1 79 79 SER N N 79 116.418 116.418 119.307 -2.889 25830 432 1 1 . 1 1 79 79 SER HA H 79 4.583 4.583 4.650 -0.067 25830 433 1 1 . 1 1 79 79 SER C C 79 170.681 170.681 173.910 -3.229 25830 434 1 1 . 1 1 79 79 SER CA C 79 54.258 54.258 56.951 -2.693 25830 435 1 1 . 1 1 79 79 SER CB C 79 61.468 61.468 64.131 -2.663 25830 436 1 1 . 1 1 79 79 SER H H 79 8.124 8.124 8.204 -0.080 25830 437 1 1 . 1 1 80 80 ILE N N 80 120.257 120.257 123.481 -3.224 25830 438 1 1 . 1 1 80 80 ILE HA H 80 4.639 4.639 4.580 0.059 25830 439 1 1 . 1 1 80 80 ILE C C 80 172.830 172.830 174.656 -1.826 25830 440 1 1 . 1 1 80 80 ILE CA C 80 55.333 55.333 57.393 -2.060 25830 441 1 1 . 1 1 80 80 ILE CB C 80 38.093 38.093 37.180 0.913 25830 442 1 1 . 1 1 80 80 ILE H H 80 8.089 8.089 8.320 -0.231 25830 443 1 1 . 1 1 81 81 PRO HA H 81 4.547 4.547 4.448 0.099 25830 444 1 1 . 1 1 81 81 PRO C C 81 171.325 171.325 175.960 -4.635 25830 445 1 1 . 1 1 81 81 PRO CA C 81 60.903 60.903 64.221 -3.318 25830 446 1 1 . 1 1 81 81 PRO CB C 81 27.693 27.693 32.362 -4.669 25830 447 1 1 . 1 1 82 82 TYR N N 82 115.259 115.259 116.845 -1.586 25830 448 1 1 . 1 1 82 82 TYR HA H 82 4.732 4.732 4.806 -0.074 25830 449 1 1 . 1 1 82 82 TYR C C 82 170.187 170.187 173.933 -3.746 25830 450 1 1 . 1 1 82 82 TYR CA C 82 51.930 51.930 54.505 -2.575 25830 451 1 1 . 1 1 82 82 TYR CB C 82 37.275 37.275 39.970 -2.695 25830 452 1 1 . 1 1 82 82 TYR H H 82 6.642 6.642 7.302 -0.660 25830 453 1 1 . 1 1 83 83 LYS N N 83 116.992 116.992 120.730 -3.738 25830 454 1 1 . 1 1 83 83 LYS HA H 83 4.464 4.464 4.368 0.096 25830 455 1 1 . 1 1 83 83 LYS C C 83 174.342 174.342 175.375 -1.033 25830 456 1 1 . 1 1 83 83 LYS CA C 83 51.653 51.653 55.336 -3.683 25830 457 1 1 . 1 1 83 83 LYS CB C 83 31.513 31.513 34.120 -2.607 25830 458 1 1 . 1 1 83 83 LYS H H 83 8.301 8.301 8.430 -0.129 25830 459 1 1 . 1 1 84 84 ILE N N 84 126.906 126.906 127.025 -0.119 25830 460 1 1 . 1 1 84 84 ILE HA H 84 3.913 3.913 4.240 -0.327 25830 461 1 1 . 1 1 84 84 ILE C C 84 170.945 170.945 175.047 -4.102 25830 462 1 1 . 1 1 84 84 ILE CA C 84 59.761 59.761 61.531 -1.770 25830 463 1 1 . 1 1 84 84 ILE CB C 84 33.534 33.534 36.562 -3.027 25830 464 1 1 . 1 1 84 84 ILE H H 84 9.304 9.304 8.524 0.780 25830 465 1 1 . 1 1 85 85 SER N N 85 120.246 120.246 121.596 -1.350 25830 466 1 1 . 1 1 85 85 SER HA H 85 4.563 4.563 4.820 -0.257 25830 467 1 1 . 1 1 85 85 SER C C 85 171.695 171.695 175.139 -3.444 25830 468 1 1 . 1 1 85 85 SER CA C 85 53.394 53.394 56.841 -3.447 25830 469 1 1 . 1 1 85 85 SER CB C 85 61.638 61.638 65.154 -3.516 25830 470 1 1 . 1 1 85 85 SER H H 85 7.256 7.256 7.892 -0.636 25830 471 1 1 . 1 1 86 86 THR N N 86 115.458 115.458 115.430 0.028 25830 472 1 1 . 1 1 86 86 THR HA H 86 4.147 4.147 4.261 -0.114 25830 473 1 1 . 1 1 86 86 THR C C 86 172.663 172.663 175.543 -2.880 25830 474 1 1 . 1 1 86 86 THR CA C 86 61.527 61.527 64.360 -2.833 25830 475 1 1 . 1 1 86 86 THR CB C 86 65.858 65.858 68.827 -2.969 25830 476 1 1 . 1 1 86 86 THR H H 86 8.819 8.819 8.630 0.189 25830 477 1 1 . 1 1 87 87 SER N N 87 114.029 114.029 116.186 -2.157 25830 478 1 1 . 1 1 87 87 SER HA H 87 4.524 4.524 4.517 0.007 25830 479 1 1 . 1 1 87 87 SER C C 87 172.010 172.010 175.124 -3.114 25830 480 1 1 . 1 1 87 87 SER CA C 87 55.408 55.408 58.959 -3.551 25830 481 1 1 . 1 1 87 87 SER CB C 87 61.144 61.144 64.232 -3.088 25830 482 1 1 . 1 1 87 87 SER H H 87 8.239 8.239 7.917 0.322 25830 483 1 1 . 1 1 88 88 THR N N 88 120.831 120.831 120.040 0.791 25830 484 1 1 . 1 1 88 88 THR HA H 88 3.808 3.808 4.258 -0.450 25830 485 1 1 . 1 1 88 88 THR C C 88 181.273 181.273 173.869 7.404 25830 486 1 1 . 1 1 88 88 THR CA C 88 61.409 61.409 63.288 -1.879 25830 487 1 1 . 1 1 88 88 THR CB C 88 67.556 67.556 69.562 -2.006 25830 488 1 1 . 1 1 88 88 THR H H 88 7.142 7.142 7.278 -0.136 25830 489 1 1 . 1 1 89 89 ASN N N 89 124.818 124.818 124.857 -0.039 25830 490 1 1 . 1 1 89 89 ASN HA H 89 4.819 4.819 4.757 0.062 25830 491 1 1 . 1 1 89 89 ASN C C 89 173.325 173.325 175.880 -2.555 25830 492 1 1 . 1 1 89 89 ASN CA C 89 48.483 48.483 52.105 -3.622 25830 493 1 1 . 1 1 89 89 ASN CB C 89 34.958 34.958 37.606 -2.648 25830 494 1 1 . 1 1 89 89 ASN H H 89 8.754 8.754 8.662 0.092 25830 495 1 1 . 1 1 90 90 CYS N N 90 123.361 123.361 123.231 0.130 25830 496 1 1 . 1 1 90 90 CYS HA H 90 4.174 4.174 3.836 0.338 25830 497 1 1 . 1 1 90 90 CYS C C 90 172.573 172.573 176.117 -3.544 25830 498 1 1 . 1 1 90 90 CYS CA C 90 54.158 54.158 61.048 -6.890 25830 499 1 1 . 1 1 90 90 CYS CB C 90 36.687 36.687 26.306 10.381 25830 500 1 1 . 1 1 90 90 CYS H H 90 8.790 8.790 8.356 0.434 25830 501 1 1 . 1 1 91 91 ASN N N 91 115.199 115.199 116.380 -1.181 25830 502 1 1 . 1 1 91 91 ASN HA H 91 4.578 4.578 4.483 0.095 25830 503 1 1 . 1 1 91 91 ASN C C 91 173.584 173.584 176.257 -2.673 25830 504 1 1 . 1 1 91 91 ASN CA C 91 52.264 52.264 55.061 -2.797 25830 505 1 1 . 1 1 91 91 ASN CB C 91 35.690 35.690 38.582 -2.892 25830 506 1 1 . 1 1 91 91 ASN H H 91 8.320 8.320 8.016 0.304 25830 507 1 1 . 1 1 92 92 THR N N 92 107.497 107.497 110.894 -3.397 25830 508 1 1 . 1 1 92 92 THR HA H 92 4.388 4.388 4.333 0.055 25830 509 1 1 . 1 1 92 92 THR C C 92 171.702 171.702 174.920 -3.218 25830 510 1 1 . 1 1 92 92 THR CA C 92 58.280 58.280 61.438 -3.158 25830 511 1 1 . 1 1 92 92 THR CB C 92 66.107 66.107 68.745 -2.638 25830 512 1 1 . 1 1 92 92 THR H H 92 7.338 7.338 7.736 -0.398 25830 513 1 1 . 1 1 93 93 VAL N N 93 123.151 123.151 121.503 1.648 25830 514 1 1 . 1 1 93 93 VAL HA H 93 3.667 3.667 4.013 -0.346 25830 515 1 1 . 1 1 93 93 VAL C C 93 172.207 172.207 176.057 -3.850 25830 516 1 1 . 1 1 93 93 VAL CA C 93 59.846 59.846 61.587 -1.741 25830 517 1 1 . 1 1 93 93 VAL CB C 93 29.999 29.999 32.620 -2.621 25830 518 1 1 . 1 1 93 93 VAL H H 93 6.806 6.806 7.228 -0.422 25830 519 1 1 . 1 1 94 94 ARG N N 94 127.129 127.129 124.695 2.434 25830 520 1 1 . 1 1 94 94 ARG HA H 94 4.339 4.339 3.988 0.351 25830 521 1 1 . 1 1 94 94 ARG C C 94 171.859 171.859 176.377 -4.518 25830 522 1 1 . 1 1 94 94 ARG CA C 94 52.395 52.395 55.586 -3.191 25830 523 1 1 . 1 1 94 94 ARG CB C 94 26.973 26.973 30.479 -3.506 25830 524 1 1 . 1 1 94 94 ARG H H 94 8.201 8.201 8.286 -0.085 25830 525 1 2 . 1 1 2 2 LEU N N 2 123.438 123.438 121.847 1.591 25830 526 1 2 . 1 1 2 2 LEU HA H 2 4.344 4.344 4.611 -0.267 25830 527 1 2 . 1 1 2 2 LEU C C 2 172.388 172.388 175.984 -3.596 25830 528 1 2 . 1 1 2 2 LEU CA C 2 52.560 52.560 54.993 -2.433 25830 529 1 2 . 1 1 2 2 LEU CB C 2 40.603 40.603 42.091 -1.488 25830 530 1 2 . 1 1 2 2 LEU H H 2 8.368 8.368 7.991 0.377 25830 531 1 2 . 1 1 3 3 SER N N 3 119.868 119.868 119.582 0.286 25830 532 1 2 . 1 1 3 3 SER HA H 3 4.748 4.748 4.644 0.104 25830 533 1 2 . 1 1 3 3 SER C C 3 173.163 173.163 175.849 -2.686 25830 534 1 2 . 1 1 3 3 SER CA C 3 53.523 53.523 57.151 -3.627 25830 535 1 2 . 1 1 3 3 SER CB C 3 62.412 62.412 65.139 -2.727 25830 536 1 2 . 1 1 3 3 SER H H 3 8.550 8.550 8.274 0.276 25830 537 1 2 . 1 1 4 4 CYS N N 4 120.408 120.408 126.741 -6.333 25830 538 1 2 . 1 1 4 4 CYS HA H 4 4.586 4.586 4.323 0.263 25830 539 1 2 . 1 1 4 4 CYS C C 4 175.067 175.067 177.157 -2.090 25830 540 1 2 . 1 1 4 4 CYS CA C 4 52.166 52.166 60.621 -8.456 25830 541 1 2 . 1 1 4 4 CYS CB C 4 30.372 30.372 26.509 3.863 25830 542 1 2 . 1 1 4 4 CYS H H 4 9.222 9.222 8.975 0.247 25830 543 1 2 . 1 1 5 5 GLY N N 5 110.663 110.663 107.528 3.135 25830 544 1 2 . 1 1 5 5 GLY C C 5 174.023 174.023 175.118 -1.095 25830 545 1 2 . 1 1 5 5 GLY CA C 5 44.577 44.577 47.495 -2.918 25830 546 1 2 . 1 1 5 5 GLY H H 5 8.721 8.721 8.259 0.462 25830 547 1 2 . 1 1 6 6 THR N N 6 118.884 118.884 116.369 2.515 25830 548 1 2 . 1 1 6 6 THR HA H 6 4.031 4.031 4.444 -0.413 25830 549 1 2 . 1 1 6 6 THR C C 6 172.782 172.782 176.686 -3.904 25830 550 1 2 . 1 1 6 6 THR CA C 6 62.801 62.801 63.846 -1.045 25830 551 1 2 . 1 1 6 6 THR CB C 6 65.896 65.896 69.562 -3.666 25830 552 1 2 . 1 1 6 6 THR H H 6 7.676 7.676 7.838 -0.162 25830 553 1 2 . 1 1 7 7 VAL N N 7 120.789 120.789 123.508 -2.719 25830 554 1 2 . 1 1 7 7 VAL HA H 7 3.607 3.607 3.703 -0.096 25830 555 1 2 . 1 1 7 7 VAL C C 7 174.356 174.356 177.350 -2.994 25830 556 1 2 . 1 1 7 7 VAL CA C 7 63.774 63.774 65.733 -1.959 25830 557 1 2 . 1 1 7 7 VAL CB C 7 28.610 28.610 31.304 -2.694 25830 558 1 2 . 1 1 7 7 VAL H H 7 7.280 7.280 7.504 -0.224 25830 559 1 2 . 1 1 8 8 SER N N 8 114.047 114.047 114.707 -0.660 25830 560 1 2 . 1 1 8 8 SER HA H 8 3.858 3.858 4.058 -0.200 25830 561 1 2 . 1 1 8 8 SER C C 8 173.948 173.948 175.539 -1.591 25830 562 1 2 . 1 1 8 8 SER CA C 8 59.791 59.791 60.759 -0.968 25830 563 1 2 . 1 1 8 8 SER CB C 8 59.242 59.242 62.628 -3.386 25830 564 1 2 . 1 1 8 8 SER H H 8 8.501 8.501 8.074 0.427 25830 565 1 2 . 1 1 9 9 ALA N N 9 123.669 123.669 122.555 1.114 25830 566 1 2 . 1 1 9 9 ALA HA H 9 4.165 4.165 4.117 0.048 25830 567 1 2 . 1 1 9 9 ALA C C 9 177.740 177.740 178.852 -1.112 25830 568 1 2 . 1 1 9 9 ALA CA C 9 52.218 52.218 54.400 -2.182 25830 569 1 2 . 1 1 9 9 ALA CB C 9 15.348 15.348 18.391 -3.043 25830 570 1 2 . 1 1 9 9 ALA H H 9 7.685 7.685 7.340 0.345 25830 571 1 2 . 1 1 10 10 ASP N N 10 118.653 118.653 117.241 1.412 25830 572 1 2 . 1 1 10 10 ASP HA H 10 4.414 4.414 4.564 -0.150 25830 573 1 2 . 1 1 10 10 ASP C C 10 173.327 173.327 177.676 -4.349 25830 574 1 2 . 1 1 10 10 ASP CA C 10 53.357 53.357 56.021 -2.664 25830 575 1 2 . 1 1 10 10 ASP CB C 10 35.579 35.579 41.404 -5.825 25830 576 1 2 . 1 1 10 10 ASP H H 10 8.161 8.161 7.854 0.307 25830 577 1 2 . 1 1 11 11 LEU N N 11 115.104 115.104 119.456 -4.352 25830 578 1 2 . 1 1 11 11 LEU HA H 11 4.183 4.183 4.315 -0.132 25830 579 1 2 . 1 1 11 11 LEU C C 11 175.206 175.206 179.064 -3.858 25830 580 1 2 . 1 1 11 11 LEU CA C 11 51.360 51.360 56.255 -4.895 25830 581 1 2 . 1 1 11 11 LEU CB C 11 40.185 40.185 42.159 -1.974 25830 582 1 2 . 1 1 11 11 LEU H H 11 7.731 7.731 7.542 0.189 25830 583 1 2 . 1 1 12 12 ALA N N 12 124.133 124.133 123.552 0.581 25830 584 1 2 . 1 1 12 12 ALA HA H 12 4.309 4.309 4.117 0.192 25830 585 1 2 . 1 1 12 12 ALA C C 12 174.540 174.540 176.982 -2.442 25830 586 1 2 . 1 1 12 12 ALA CA C 12 54.075 54.075 56.820 -2.745 25830 587 1 2 . 1 1 12 12 ALA CB C 12 13.256 13.256 16.077 -2.821 25830 588 1 2 . 1 1 12 12 ALA H H 12 7.481 7.481 8.094 -0.613 25830 589 1 2 . 1 1 13 13 PRO HA H 13 4.674 4.674 4.456 0.218 25830 590 1 2 . 1 1 13 13 PRO C C 13 174.824 174.824 176.320 -1.496 25830 591 1 2 . 1 1 13 13 PRO CA C 13 61.982 61.982 64.092 -2.110 25830 592 1 2 . 1 1 13 13 PRO CB C 13 28.804 28.804 31.391 -2.587 25830 593 1 2 . 1 1 14 14 CYS N N 14 114.225 114.225 117.821 -3.596 25830 594 1 2 . 1 1 14 14 CYS HA H 14 4.722 4.722 4.792 -0.070 25830 595 1 2 . 1 1 14 14 CYS C C 14 172.376 172.376 176.426 -4.050 25830 596 1 2 . 1 1 14 14 CYS CA C 14 51.481 51.481 58.929 -7.448 25830 597 1 2 . 1 1 14 14 CYS CB C 14 39.508 39.508 27.322 12.186 25830 598 1 2 . 1 1 14 14 CYS H H 14 8.938 8.938 7.659 1.279 25830 599 1 2 . 1 1 15 15 VAL N N 15 122.488 122.488 122.804 -0.316 25830 600 1 2 . 1 1 15 15 VAL HA H 15 3.350 3.350 3.678 -0.328 25830 601 1 2 . 1 1 15 15 VAL C C 15 173.644 173.644 177.487 -3.843 25830 602 1 2 . 1 1 15 15 VAL CA C 15 66.608 66.608 67.006 -0.398 25830 603 1 2 . 1 1 15 15 VAL CB C 15 28.692 28.692 31.606 -2.914 25830 604 1 2 . 1 1 15 15 VAL H H 15 7.767 7.767 7.788 -0.021 25830 605 1 2 . 1 1 16 16 THR N N 16 112.169 112.169 114.523 -2.354 25830 606 1 2 . 1 1 16 16 THR HA H 16 4.012 4.012 3.960 0.052 25830 607 1 2 . 1 1 16 16 THR C C 16 175.021 175.021 176.085 -1.064 25830 608 1 2 . 1 1 16 16 THR CA C 16 63.879 63.879 66.114 -2.235 25830 609 1 2 . 1 1 16 16 THR CB C 16 65.364 65.364 68.946 -3.582 25830 610 1 2 . 1 1 16 16 THR H H 16 8.258 8.258 8.368 -0.110 25830 611 1 2 . 1 1 17 17 TYR N N 17 124.563 124.563 120.992 3.571 25830 612 1 2 . 1 1 17 17 TYR HA H 17 4.265 4.265 4.288 -0.023 25830 613 1 2 . 1 1 17 17 TYR C C 17 174.326 174.326 177.598 -3.272 25830 614 1 2 . 1 1 17 17 TYR CA C 17 58.001 58.001 59.867 -1.867 25830 615 1 2 . 1 1 17 17 TYR CB C 17 35.252 35.252 38.021 -2.769 25830 616 1 2 . 1 1 17 17 TYR H H 17 8.280 8.280 8.149 0.131 25830 617 1 2 . 1 1 18 18 LEU N N 18 119.213 119.213 118.740 0.473 25830 618 1 2 . 1 1 18 18 LEU HA H 18 3.630 3.630 3.700 -0.070 25830 619 1 2 . 1 1 18 18 LEU C C 18 172.858 172.858 178.077 -5.219 25830 620 1 2 . 1 1 18 18 LEU CA C 18 54.171 54.171 57.220 -3.049 25830 621 1 2 . 1 1 18 18 LEU CB C 18 38.310 38.310 41.653 -3.343 25830 622 1 2 . 1 1 18 18 LEU H H 18 8.394 8.394 7.670 0.724 25830 623 1 2 . 1 1 19 19 GLN N N 19 114.782 114.782 112.855 1.927 25830 624 1 2 . 1 1 19 19 GLN HA H 19 4.582 4.582 4.277 0.305 25830 625 1 2 . 1 1 19 19 GLN C C 19 172.754 172.754 176.265 -3.511 25830 626 1 2 . 1 1 19 19 GLN CA C 19 52.320 52.320 55.090 -2.771 25830 627 1 2 . 1 1 19 19 GLN CB C 19 27.954 27.954 28.731 -0.777 25830 628 1 2 . 1 1 19 19 GLN H H 19 7.319 7.319 7.446 -0.127 25830 629 1 2 . 1 1 20 20 ALA N N 20 126.473 126.473 123.809 2.664 25830 630 1 2 . 1 1 20 20 ALA HA H 20 4.494 4.494 4.583 -0.089 25830 631 1 2 . 1 1 20 20 ALA C C 20 171.072 171.072 175.367 -4.295 25830 632 1 2 . 1 1 20 20 ALA CA C 20 48.862 48.862 50.044 -1.182 25830 633 1 2 . 1 1 20 20 ALA CB C 20 15.610 15.610 18.740 -3.130 25830 634 1 2 . 1 1 20 20 ALA H H 20 7.292 7.292 7.440 -0.148 25830 635 1 2 . 1 1 21 21 PRO HA H 21 4.440 4.440 4.473 -0.033 25830 636 1 2 . 1 1 21 21 PRO C C 21 174.052 174.052 176.951 -2.899 25830 637 1 2 . 1 1 21 21 PRO CA C 21 59.522 59.522 61.928 -2.406 25830 638 1 2 . 1 1 21 21 PRO CB C 21 29.853 29.853 32.547 -2.694 25830 639 1 2 . 1 1 22 22 ASN N N 22 117.448 117.448 118.380 -0.932 25830 640 1 2 . 1 1 22 22 ASN HA H 22 4.754 4.754 4.638 0.116 25830 641 1 2 . 1 1 22 22 ASN C C 22 173.299 173.299 176.837 -3.538 25830 642 1 2 . 1 1 22 22 ASN CA C 22 51.478 51.478 55.541 -4.062 25830 643 1 2 . 1 1 22 22 ASN CB C 22 35.291 35.291 38.184 -2.893 25830 644 1 2 . 1 1 22 22 ASN H H 22 8.466 8.466 8.743 -0.277 25830 645 1 2 . 1 1 23 23 ASN N N 23 113.171 113.171 115.620 -2.449 25830 646 1 2 . 1 1 23 23 ASN HA H 23 4.555 4.555 4.589 -0.034 25830 647 1 2 . 1 1 23 23 ASN C C 23 172.210 172.210 175.069 -2.859 25830 648 1 2 . 1 1 23 23 ASN CA C 23 50.626 50.626 54.132 -3.506 25830 649 1 2 . 1 1 23 23 ASN CB C 23 34.278 34.278 38.458 -4.180 25830 650 1 2 . 1 1 23 23 ASN H H 23 8.187 8.187 8.282 -0.095 25830 651 1 2 . 1 1 24 24 ALA N N 24 122.578 122.578 121.645 0.933 25830 652 1 2 . 1 1 24 24 ALA HA H 24 4.394 4.394 4.527 -0.133 25830 653 1 2 . 1 1 24 24 ALA C C 24 173.708 173.708 176.493 -2.785 25830 654 1 2 . 1 1 24 24 ALA CA C 24 49.696 49.696 51.939 -2.243 25830 655 1 2 . 1 1 24 24 ALA CB C 24 18.288 18.288 20.127 -1.839 25830 656 1 2 . 1 1 24 24 ALA H H 24 7.381 7.381 7.517 -0.136 25830 657 1 2 . 1 1 25 25 SER N N 25 115.237 115.237 114.280 0.957 25830 658 1 2 . 1 1 25 25 SER HA H 25 4.922 4.922 4.468 0.454 25830 659 1 2 . 1 1 25 25 SER C C 25 181.107 181.107 172.005 9.102 25830 660 1 2 . 1 1 25 25 SER CA C 25 53.033 53.033 55.268 -2.235 25830 661 1 2 . 1 1 25 25 SER CB C 25 61.549 61.549 64.610 -3.061 25830 662 1 2 . 1 1 25 25 SER H H 25 8.649 8.649 8.188 0.461 25830 663 1 2 . 1 1 26 26 PRO HA H 26 4.014 4.014 4.305 -0.291 25830 664 1 2 . 1 1 26 26 PRO CA C 26 57.292 57.292 60.958 -3.666 25830 665 1 2 . 1 1 26 26 PRO CB C 26 27.450 27.450 30.978 -3.528 25830 666 1 2 . 1 1 27 27 PRO HA H 27 4.881 4.881 4.803 0.078 25830 667 1 2 . 1 1 27 27 PRO CA C 27 58.500 58.500 60.580 -2.080 25830 668 1 2 . 1 1 27 27 PRO CB C 27 28.489 28.489 31.513 -3.024 25830 669 1 2 . 1 1 28 28 PRO HA H 28 4.421 4.421 4.276 0.145 25830 670 1 2 . 1 1 28 28 PRO CA C 28 64.505 64.505 66.560 -2.055 25830 671 1 2 . 1 1 28 28 PRO CB C 28 26.217 26.217 29.772 -3.555 25830 672 1 2 . 1 1 29 29 PRO HA H 29 4.477 4.477 4.369 0.108 25830 673 1 2 . 1 1 29 29 PRO C C 29 177.330 177.330 178.637 -1.307 25830 674 1 2 . 1 1 29 29 PRO CA C 29 62.883 62.883 65.296 -2.413 25830 675 1 2 . 1 1 29 29 PRO CB C 29 28.301 28.301 31.200 -2.899 25830 676 1 2 . 1 1 30 30 CYS N N 30 114.694 114.694 117.500 -2.806 25830 677 1 2 . 1 1 30 30 CYS HA H 30 4.456 4.456 4.255 0.201 25830 678 1 2 . 1 1 30 30 CYS C C 30 172.260 172.260 176.533 -4.273 25830 679 1 2 . 1 1 30 30 CYS CA C 30 55.585 55.585 61.742 -6.157 25830 680 1 2 . 1 1 30 30 CYS CB C 30 34.602 34.602 26.153 8.449 25830 681 1 2 . 1 1 30 30 CYS H H 30 7.637 7.637 7.661 -0.024 25830 682 1 2 . 1 1 31 31 CYS N N 31 116.335 116.335 120.222 -3.887 25830 683 1 2 . 1 1 31 31 CYS HA H 31 4.607 4.607 4.095 0.512 25830 684 1 2 . 1 1 31 31 CYS C C 31 174.401 174.401 177.113 -2.712 25830 685 1 2 . 1 1 31 31 CYS CA C 31 51.858 51.858 62.502 -10.644 25830 686 1 2 . 1 1 31 31 CYS CB C 31 29.979 29.979 25.609 4.370 25830 687 1 2 . 1 1 31 31 CYS H H 31 7.083 7.083 7.960 -0.877 25830 688 1 2 . 1 1 32 32 ALA N N 32 121.738 121.738 122.212 -0.474 25830 689 1 2 . 1 1 32 32 ALA HA H 32 4.070 4.070 3.911 0.159 25830 690 1 2 . 1 1 32 32 ALA C C 32 177.730 177.730 179.267 -1.537 25830 691 1 2 . 1 1 32 32 ALA CA C 32 52.557 52.557 55.179 -2.622 25830 692 1 2 . 1 1 32 32 ALA CB C 32 15.204 15.204 17.987 -2.783 25830 693 1 2 . 1 1 32 32 ALA H H 32 8.481 8.481 7.878 0.603 25830 694 1 2 . 1 1 33 33 GLY N N 33 108.715 108.715 106.614 2.101 25830 695 1 2 . 1 1 33 33 GLY C C 33 172.825 172.825 176.121 -3.296 25830 696 1 2 . 1 1 33 33 GLY CA C 33 44.748 44.748 47.110 -2.362 25830 697 1 2 . 1 1 33 33 GLY H H 33 7.683 7.683 7.765 -0.082 25830 698 1 2 . 1 1 34 34 VAL N N 34 121.079 121.079 121.275 -0.196 25830 699 1 2 . 1 1 34 34 VAL HA H 34 3.489 3.489 3.553 -0.064 25830 700 1 2 . 1 1 34 34 VAL C C 34 174.764 174.764 177.699 -2.935 25830 701 1 2 . 1 1 34 34 VAL CA C 34 63.930 63.930 65.875 -1.945 25830 702 1 2 . 1 1 34 34 VAL CB C 34 29.037 29.037 31.712 -2.675 25830 703 1 2 . 1 1 34 34 VAL H H 34 8.085 8.085 7.526 0.559 25830 704 1 2 . 1 1 35 35 LYS N N 35 117.845 117.845 118.041 -0.196 25830 705 1 2 . 1 1 35 35 LYS HA H 35 3.814 3.814 4.066 -0.252 25830 706 1 2 . 1 1 35 35 LYS C C 35 176.677 176.677 179.596 -2.919 25830 707 1 2 . 1 1 35 35 LYS CA C 35 57.849 57.849 59.127 -1.278 25830 708 1 2 . 1 1 35 35 LYS CB C 35 29.635 29.635 31.946 -2.311 25830 709 1 2 . 1 1 35 35 LYS H H 35 8.089 8.089 7.553 0.536 25830 710 1 2 . 1 1 36 36 LYS N N 36 120.507 120.507 120.459 0.048 25830 711 1 2 . 1 1 36 36 LYS HA H 36 3.946 3.946 4.120 -0.174 25830 712 1 2 . 1 1 36 36 LYS C C 36 176.481 176.481 178.980 -2.499 25830 713 1 2 . 1 1 36 36 LYS CA C 36 56.889 56.889 58.449 -1.560 25830 714 1 2 . 1 1 36 36 LYS CB C 36 29.999 29.999 32.143 -2.144 25830 715 1 2 . 1 1 36 36 LYS H H 36 7.940 7.940 7.748 0.192 25830 716 1 2 . 1 1 37 37 LEU N N 37 121.929 121.929 120.416 1.513 25830 717 1 2 . 1 1 37 37 LEU HA H 37 4.012 4.012 4.071 -0.059 25830 718 1 2 . 1 1 37 37 LEU C C 37 175.490 175.490 178.071 -2.581 25830 719 1 2 . 1 1 37 37 LEU CA C 37 55.567 55.567 57.109 -1.542 25830 720 1 2 . 1 1 37 37 LEU CB C 37 38.621 38.621 41.443 -2.821 25830 721 1 2 . 1 1 37 37 LEU H H 37 7.882 7.882 7.765 0.117 25830 722 1 2 . 1 1 38 38 LEU N N 38 117.061 117.061 119.339 -2.278 25830 723 1 2 . 1 1 38 38 LEU HA H 38 4.050 4.050 3.953 0.097 25830 724 1 2 . 1 1 38 38 LEU C C 38 177.275 177.275 178.524 -1.249 25830 725 1 2 . 1 1 38 38 LEU CA C 38 54.535 54.535 57.691 -3.156 25830 726 1 2 . 1 1 38 38 LEU CB C 38 38.448 38.448 41.451 -3.003 25830 727 1 2 . 1 1 38 38 LEU H H 38 7.812 7.812 7.395 0.417 25830 728 1 2 . 1 1 39 39 ALA N N 39 119.986 119.986 119.278 0.708 25830 729 1 2 . 1 1 39 39 ALA HA H 39 4.105 4.105 4.261 -0.156 25830 730 1 2 . 1 1 39 39 ALA C C 39 175.721 175.721 177.814 -2.093 25830 731 1 2 . 1 1 39 39 ALA CA C 39 50.910 50.910 52.830 -1.919 25830 732 1 2 . 1 1 39 39 ALA CB C 39 15.545 15.545 19.088 -3.543 25830 733 1 2 . 1 1 39 39 ALA H H 39 7.914 7.914 7.536 0.378 25830 734 1 2 . 1 1 40 40 ALA N N 40 118.015 118.015 121.705 -3.690 25830 735 1 2 . 1 1 40 40 ALA HA H 40 4.266 4.266 4.119 0.147 25830 736 1 2 . 1 1 40 40 ALA C C 40 174.416 174.416 178.037 -3.621 25830 737 1 2 . 1 1 40 40 ALA CA C 40 49.886 49.886 53.228 -3.342 25830 738 1 2 . 1 1 40 40 ALA CB C 40 16.330 16.330 19.111 -2.781 25830 739 1 2 . 1 1 40 40 ALA H H 40 7.302 7.302 7.160 0.142 25830 740 1 2 . 1 1 41 41 ALA N N 41 122.389 122.389 120.063 2.326 25830 741 1 2 . 1 1 41 41 ALA HA H 41 4.605 4.605 4.267 0.338 25830 742 1 2 . 1 1 41 41 ALA C C 41 172.709 172.709 177.111 -4.402 25830 743 1 2 . 1 1 41 41 ALA CA C 41 47.917 47.917 52.275 -4.358 25830 744 1 2 . 1 1 41 41 ALA CB C 41 15.072 15.072 19.569 -4.497 25830 745 1 2 . 1 1 41 41 ALA H H 41 7.304 7.304 7.435 -0.131 25830 746 1 2 . 1 1 42 42 THR N N 42 113.142 113.142 113.977 -0.835 25830 747 1 2 . 1 1 42 42 THR HA H 42 4.422 4.422 4.324 0.098 25830 748 1 2 . 1 1 42 42 THR C C 42 172.086 172.086 174.968 -2.882 25830 749 1 2 . 1 1 42 42 THR CA C 42 59.772 59.772 63.214 -3.442 25830 750 1 2 . 1 1 42 42 THR CB C 42 66.992 66.992 69.147 -2.155 25830 751 1 2 . 1 1 42 42 THR H H 42 8.663 8.663 8.296 0.367 25830 752 1 2 . 1 1 43 43 THR N N 43 111.501 111.501 110.674 0.827 25830 753 1 2 . 1 1 43 43 THR HA H 43 4.704 4.704 4.609 0.095 25830 754 1 2 . 1 1 43 43 THR C C 43 172.283 172.283 175.128 -2.845 25830 755 1 2 . 1 1 43 43 THR CA C 43 56.869 56.869 59.984 -3.115 25830 756 1 2 . 1 1 43 43 THR CB C 43 69.211 69.211 71.799 -2.588 25830 757 1 2 . 1 1 43 43 THR H H 43 7.705 7.705 7.462 0.243 25830 758 1 2 . 1 1 44 44 THR N N 44 119.157 119.157 115.222 3.935 25830 759 1 2 . 1 1 44 44 THR HA H 44 3.861 3.861 4.245 -0.384 25830 760 1 2 . 1 1 44 44 THR CA C 44 66.420 66.420 66.890 -0.470 25830 761 1 2 . 1 1 44 44 THR CB C 44 63.702 63.702 67.493 -3.791 25830 762 1 2 . 1 1 44 44 THR H H 44 9.305 9.305 8.390 0.915 25830 763 1 2 . 1 1 45 45 PRO HA H 45 4.345 4.345 4.716 -0.371 25830 764 1 2 . 1 1 45 45 PRO C C 45 177.238 177.238 178.263 -1.025 25830 765 1 2 . 1 1 45 45 PRO CA C 45 63.192 63.192 64.949 -1.757 25830 766 1 2 . 1 1 45 45 PRO CB C 45 28.232 28.232 31.525 -3.293 25830 767 1 2 . 1 1 46 46 ASP N N 46 117.412 117.412 120.228 -2.816 25830 768 1 2 . 1 1 46 46 ASP HA H 46 4.571 4.571 4.446 0.125 25830 769 1 2 . 1 1 46 46 ASP C C 46 175.358 175.358 177.507 -2.149 25830 770 1 2 . 1 1 46 46 ASP CA C 46 54.436 54.436 56.913 -2.477 25830 771 1 2 . 1 1 46 46 ASP CB C 46 37.884 37.884 40.455 -2.571 25830 772 1 2 . 1 1 46 46 ASP H H 46 7.238 7.238 8.279 -1.041 25830 773 1 2 . 1 1 47 47 ARG N N 47 122.342 122.342 118.196 4.146 25830 774 1 2 . 1 1 47 47 ARG HA H 47 3.754 3.754 4.023 -0.269 25830 775 1 2 . 1 1 47 47 ARG C C 47 176.688 176.688 178.552 -1.864 25830 776 1 2 . 1 1 47 47 ARG CA C 47 57.351 57.351 58.855 -1.504 25830 777 1 2 . 1 1 47 47 ARG CB C 47 26.606 26.606 29.744 -3.138 25830 778 1 2 . 1 1 47 47 ARG H H 47 8.383 8.383 7.561 0.822 25830 779 1 2 . 1 1 48 48 GLN N N 48 120.813 120.813 119.172 1.641 25830 780 1 2 . 1 1 48 48 GLN HA H 48 3.650 3.650 4.044 -0.394 25830 781 1 2 . 1 1 48 48 GLN C C 48 175.354 175.354 177.534 -2.180 25830 782 1 2 . 1 1 48 48 GLN CA C 48 56.742 56.742 58.183 -1.441 25830 783 1 2 . 1 1 48 48 GLN CB C 48 25.406 25.406 27.789 -2.383 25830 784 1 2 . 1 1 48 48 GLN H H 48 8.176 8.176 7.771 0.405 25830 785 1 2 . 1 1 49 49 ALA N N 49 122.476 122.476 121.636 0.840 25830 786 1 2 . 1 1 49 49 ALA HA H 49 4.224 4.224 3.971 0.253 25830 787 1 2 . 1 1 49 49 ALA C C 49 177.581 177.581 179.037 -1.456 25830 788 1 2 . 1 1 49 49 ALA CA C 49 52.410 52.410 54.714 -2.304 25830 789 1 2 . 1 1 49 49 ALA CB C 49 15.305 15.305 17.987 -2.682 25830 790 1 2 . 1 1 49 49 ALA H H 49 8.079 8.079 7.595 0.484 25830 791 1 2 . 1 1 50 50 ALA N N 50 121.104 121.104 120.233 0.871 25830 792 1 2 . 1 1 50 50 ALA HA H 50 3.686 3.686 3.984 -0.298 25830 793 1 2 . 1 1 50 50 ALA C C 50 175.478 175.478 178.747 -3.269 25830 794 1 2 . 1 1 50 50 ALA CA C 50 53.344 53.344 55.099 -1.755 25830 795 1 2 . 1 1 50 50 ALA CB C 50 14.032 14.032 17.936 -3.904 25830 796 1 2 . 1 1 50 50 ALA H H 50 8.494 8.494 7.603 0.891 25830 797 1 2 . 1 1 51 51 CYS N N 51 117.063 117.063 117.796 -0.733 25830 798 1 2 . 1 1 51 51 CYS HA H 51 4.091 4.091 4.096 -0.005 25830 799 1 2 . 1 1 51 51 CYS C C 51 173.692 173.692 176.656 -2.964 25830 800 1 2 . 1 1 51 51 CYS CA C 51 57.660 57.660 60.736 -3.076 25830 801 1 2 . 1 1 51 51 CYS CB C 51 34.278 34.278 25.179 9.099 25830 802 1 2 . 1 1 51 51 CYS H H 51 7.466 7.466 7.852 -0.386 25830 803 1 2 . 1 1 52 52 ASN N N 52 120.867 120.867 118.252 2.615 25830 804 1 2 . 1 1 52 52 ASN HA H 52 4.403 4.403 4.579 -0.176 25830 805 1 2 . 1 1 52 52 ASN C C 52 176.290 176.290 177.402 -1.112 25830 806 1 2 . 1 1 52 52 ASN CA C 52 54.177 54.177 56.018 -1.841 25830 807 1 2 . 1 1 52 52 ASN CB C 52 36.302 36.302 38.165 -1.863 25830 808 1 2 . 1 1 52 52 ASN H H 52 8.164 8.164 7.587 0.577 25830 809 1 2 . 1 1 53 53 CYS N N 53 119.542 119.542 118.871 0.671 25830 810 1 2 . 1 1 53 53 CYS HA H 53 4.543 4.543 4.218 0.325 25830 811 1 2 . 1 1 53 53 CYS C C 53 175.294 175.294 176.932 -1.638 25830 812 1 2 . 1 1 53 53 CYS CA C 53 53.637 53.637 62.462 -8.825 25830 813 1 2 . 1 1 53 53 CYS CB C 53 34.302 34.302 26.115 8.187 25830 814 1 2 . 1 1 53 53 CYS H H 53 8.974 8.974 7.845 1.129 25830 815 1 2 . 1 1 54 54 LEU N N 54 124.510 124.510 118.873 5.637 25830 816 1 2 . 1 1 54 54 LEU HA H 54 3.964 3.964 3.980 -0.016 25830 817 1 2 . 1 1 54 54 LEU C C 54 175.082 175.082 178.852 -3.770 25830 818 1 2 . 1 1 54 54 LEU CA C 54 55.725 55.725 58.398 -2.673 25830 819 1 2 . 1 1 54 54 LEU CB C 54 39.035 39.035 41.302 -2.267 25830 820 1 2 . 1 1 54 54 LEU H H 54 8.794 8.794 7.904 0.890 25830 821 1 2 . 1 1 55 55 LYS N N 55 120.615 120.615 119.083 1.532 25830 822 1 2 . 1 1 55 55 LYS HA H 55 3.929 3.929 4.047 -0.118 25830 823 1 2 . 1 1 55 55 LYS C C 55 176.860 176.860 178.707 -1.847 25830 824 1 2 . 1 1 55 55 LYS CA C 55 57.089 57.089 58.800 -1.711 25830 825 1 2 . 1 1 55 55 LYS CB C 55 30.420 30.420 31.752 -1.332 25830 826 1 2 . 1 1 55 55 LYS H H 55 8.119 8.119 7.495 0.624 25830 827 1 2 . 1 1 56 56 SER N N 56 113.653 113.653 115.410 -1.757 25830 828 1 2 . 1 1 56 56 SER HA H 56 4.202 4.202 4.150 0.052 25830 829 1 2 . 1 1 56 56 SER C C 56 175.009 175.009 176.871 -1.862 25830 830 1 2 . 1 1 56 56 SER CA C 56 58.397 58.397 61.251 -2.854 25830 831 1 2 . 1 1 56 56 SER CB C 56 60.063 60.063 62.875 -2.812 25830 832 1 2 . 1 1 56 56 SER H H 56 7.746 7.746 7.654 0.092 25830 833 1 2 . 1 1 57 57 ALA N N 57 125.184 125.184 123.628 1.556 25830 834 1 2 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.106 -0.033 25830 835 1 2 . 1 1 57 57 ALA C C 57 177.735 177.735 179.537 -1.802 25830 836 1 2 . 1 1 57 57 ALA CA C 57 52.222 52.222 54.639 -2.417 25830 837 1 2 . 1 1 57 57 ALA CB C 57 14.710 14.710 18.221 -3.511 25830 838 1 2 . 1 1 57 57 ALA H H 57 8.370 8.370 7.765 0.605 25830 839 1 2 . 1 1 58 58 ALA N N 58 119.288 119.288 120.675 -1.387 25830 840 1 2 . 1 1 58 58 ALA HA H 58 3.873 3.873 4.117 -0.244 25830 841 1 2 . 1 1 58 58 ALA C C 58 176.201 176.201 179.678 -3.477 25830 842 1 2 . 1 1 58 58 ALA CA C 58 52.154 52.154 54.577 -2.423 25830 843 1 2 . 1 1 58 58 ALA CB C 58 13.944 13.944 18.486 -4.542 25830 844 1 2 . 1 1 58 58 ALA H H 58 8.355 8.355 7.955 0.400 25830 845 1 2 . 1 1 59 59 GLY N N 59 101.896 101.896 104.522 -2.626 25830 846 1 2 . 1 1 59 59 GLY C C 59 171.619 171.619 174.602 -2.983 25830 847 1 2 . 1 1 59 59 GLY CA C 59 43.245 43.245 45.639 -2.394 25830 848 1 2 . 1 1 59 59 GLY H H 59 7.613 7.613 7.818 -0.205 25830 849 1 2 . 1 1 60 60 SER N N 60 114.297 114.297 115.283 -0.986 25830 850 1 2 . 1 1 60 60 SER HA H 60 4.548 4.548 4.562 -0.014 25830 851 1 2 . 1 1 60 60 SER C C 60 171.232 171.232 173.879 -2.647 25830 852 1 2 . 1 1 60 60 SER CA C 60 55.817 55.817 57.831 -2.014 25830 853 1 2 . 1 1 60 60 SER CB C 60 61.793 61.793 64.432 -2.639 25830 854 1 2 . 1 1 60 60 SER H H 60 7.570 7.570 7.857 -0.287 25830 855 1 2 . 1 1 61 61 ILE N N 61 125.096 125.096 125.404 -0.308 25830 856 1 2 . 1 1 61 61 ILE HA H 61 4.272 4.272 4.459 -0.187 25830 857 1 2 . 1 1 61 61 ILE C C 61 170.966 170.966 174.255 -3.289 25830 858 1 2 . 1 1 61 61 ILE CA C 61 56.364 56.364 58.306 -1.942 25830 859 1 2 . 1 1 61 61 ILE CB C 61 36.307 36.307 39.047 -2.740 25830 860 1 2 . 1 1 61 61 ILE H H 61 7.222 7.222 7.455 -0.233 25830 861 1 2 . 1 1 62 62 PRO HA H 62 4.317 4.317 4.403 -0.086 25830 862 1 2 . 1 1 62 62 PRO C C 62 173.935 173.935 176.285 -2.350 25830 863 1 2 . 1 1 62 62 PRO CA C 62 60.634 60.634 63.239 -2.605 25830 864 1 2 . 1 1 62 62 PRO CB C 62 29.399 29.399 31.832 -2.433 25830 865 1 2 . 1 1 63 63 LYS N N 63 115.837 115.837 117.094 -1.257 25830 866 1 2 . 1 1 63 63 LYS HA H 63 3.916 3.916 3.844 0.072 25830 867 1 2 . 1 1 63 63 LYS C C 63 172.800 172.800 176.159 -3.359 25830 868 1 2 . 1 1 63 63 LYS CA C 63 53.303 53.303 56.483 -3.180 25830 869 1 2 . 1 1 63 63 LYS CB C 63 26.973 26.973 29.691 -2.718 25830 870 1 2 . 1 1 63 63 LYS H H 63 8.584 8.584 8.573 0.011 25830 871 1 2 . 1 1 64 64 LEU N N 64 118.672 118.672 119.722 -1.050 25830 872 1 2 . 1 1 64 64 LEU HA H 64 3.625 3.625 4.212 -0.587 25830 873 1 2 . 1 1 64 64 LEU C C 64 173.690 173.690 176.069 -2.379 25830 874 1 2 . 1 1 64 64 LEU CA C 64 53.929 53.929 56.012 -2.083 25830 875 1 2 . 1 1 64 64 LEU CB C 64 39.878 39.878 42.367 -2.489 25830 876 1 2 . 1 1 64 64 LEU H H 64 7.116 7.116 7.388 -0.272 25830 877 1 2 . 1 1 65 65 ASN N N 65 125.562 125.562 123.911 1.651 25830 878 1 2 . 1 1 65 65 ASN HA H 65 4.879 4.879 4.968 -0.089 25830 879 1 2 . 1 1 65 65 ASN C C 65 174.338 174.338 175.650 -1.312 25830 880 1 2 . 1 1 65 65 ASN CA C 65 48.862 48.862 51.080 -2.218 25830 881 1 2 . 1 1 65 65 ASN CB C 65 34.238 34.238 38.686 -4.448 25830 882 1 2 . 1 1 65 65 ASN H H 65 9.348 9.348 8.387 0.961 25830 883 1 2 . 1 1 66 66 THR N N 66 118.448 118.448 117.208 1.240 25830 884 1 2 . 1 1 66 66 THR HA H 66 3.840 3.840 3.895 -0.055 25830 885 1 2 . 1 1 66 66 THR C C 66 174.820 174.820 175.845 -1.025 25830 886 1 2 . 1 1 66 66 THR CA C 66 62.576 62.576 65.400 -2.824 25830 887 1 2 . 1 1 66 66 THR CB C 66 65.348 65.348 68.674 -3.326 25830 888 1 2 . 1 1 66 66 THR H H 66 8.735 8.735 8.452 0.283 25830 889 1 2 . 1 1 67 67 ASN N N 67 121.545 121.545 119.051 2.494 25830 890 1 2 . 1 1 67 67 ASN HA H 67 4.460 4.460 4.430 0.030 25830 891 1 2 . 1 1 67 67 ASN C C 67 174.825 174.825 177.960 -3.135 25830 892 1 2 . 1 1 67 67 ASN CA C 67 53.781 53.781 55.931 -2.150 25830 893 1 2 . 1 1 67 67 ASN CB C 67 35.495 35.495 38.572 -3.077 25830 894 1 2 . 1 1 67 67 ASN H H 67 8.229 8.229 8.077 0.152 25830 895 1 2 . 1 1 68 68 ASN N N 68 122.399 122.399 118.263 4.136 25830 896 1 2 . 1 1 68 68 ASN HA H 68 4.463 4.463 4.425 0.038 25830 897 1 2 . 1 1 68 68 ASN C C 68 175.357 175.357 176.134 -0.777 25830 898 1 2 . 1 1 68 68 ASN CA C 68 52.009 52.009 55.502 -3.493 25830 899 1 2 . 1 1 68 68 ASN CB C 68 32.853 32.853 37.986 -5.133 25830 900 1 2 . 1 1 68 68 ASN H H 68 7.153 7.153 7.954 -0.801 25830 901 1 2 . 1 1 69 69 ALA N N 69 123.588 123.588 120.932 2.656 25830 902 1 2 . 1 1 69 69 ALA HA H 69 3.930 3.930 4.205 -0.275 25830 903 1 2 . 1 1 69 69 ALA C C 69 175.919 175.919 178.274 -2.355 25830 904 1 2 . 1 1 69 69 ALA CA C 69 53.087 53.087 54.311 -1.224 25830 905 1 2 . 1 1 69 69 ALA CB C 69 14.867 14.867 18.197 -3.329 25830 906 1 2 . 1 1 69 69 ALA H H 69 7.942 7.942 7.349 0.593 25830 907 1 2 . 1 1 70 70 ALA N N 70 117.736 117.736 119.911 -2.175 25830 908 1 2 . 1 1 70 70 ALA HA H 70 4.250 4.250 4.244 0.006 25830 909 1 2 . 1 1 70 70 ALA C C 70 176.704 176.704 178.822 -2.118 25830 910 1 2 . 1 1 70 70 ALA CA C 70 51.706 51.706 54.409 -2.703 25830 911 1 2 . 1 1 70 70 ALA CB C 70 15.507 15.507 19.139 -3.632 25830 912 1 2 . 1 1 70 70 ALA H H 70 7.574 7.574 7.456 0.118 25830 913 1 2 . 1 1 71 71 ALA N N 71 117.858 117.858 120.562 -2.704 25830 914 1 2 . 1 1 71 71 ALA HA H 71 4.321 4.321 4.415 -0.094 25830 915 1 2 . 1 1 71 71 ALA C C 71 175.190 175.190 179.264 -4.074 25830 916 1 2 . 1 1 71 71 ALA CA C 71 50.142 50.142 53.699 -3.557 25830 917 1 2 . 1 1 71 71 ALA CB C 71 16.908 16.908 18.364 -1.456 25830 918 1 2 . 1 1 71 71 ALA H H 71 7.676 7.676 7.395 0.281 25830 919 1 2 . 1 1 72 72 LEU N N 72 117.566 117.566 122.444 -4.878 25830 920 1 2 . 1 1 72 72 LEU HA H 72 4.097 4.097 4.370 -0.273 25830 921 1 2 . 1 1 72 72 LEU C C 72 170.406 170.406 175.386 -4.980 25830 922 1 2 . 1 1 72 72 LEU CA C 72 57.688 57.688 59.633 -1.945 25830 923 1 2 . 1 1 72 72 LEU CB C 72 36.632 36.632 39.697 -3.065 25830 924 1 2 . 1 1 72 72 LEU H H 72 7.494 7.494 7.727 -0.233 25830 925 1 2 . 1 1 73 73 PRO HA H 73 3.793 3.793 4.320 -0.527 25830 926 1 2 . 1 1 73 73 PRO C C 73 176.416 176.416 179.239 -2.823 25830 927 1 2 . 1 1 73 73 PRO CA C 73 64.431 64.431 65.837 -1.406 25830 928 1 2 . 1 1 73 73 PRO CB C 73 27.928 27.928 30.805 -2.877 25830 929 1 2 . 1 1 74 74 GLY N N 74 106.170 106.170 107.147 -0.977 25830 930 1 2 . 1 1 74 74 GLY C C 74 176.081 176.081 177.173 -1.092 25830 931 1 2 . 1 1 74 74 GLY CA C 74 44.577 44.577 47.109 -2.532 25830 932 1 2 . 1 1 74 74 GLY H H 74 8.374 8.374 7.911 0.463 25830 933 1 2 . 1 1 75 75 LYS N N 75 121.379 121.379 120.294 1.085 25830 934 1 2 . 1 1 75 75 LYS HA H 75 4.162 4.162 4.204 -0.042 25830 935 1 2 . 1 1 75 75 LYS C C 75 175.735 175.735 177.460 -1.725 25830 936 1 2 . 1 1 75 75 LYS CA C 75 56.053 56.053 58.206 -2.153 25830 937 1 2 . 1 1 75 75 LYS CB C 75 30.087 30.087 32.428 -2.341 25830 938 1 2 . 1 1 75 75 LYS H H 75 8.417 8.417 8.370 0.047 25830 939 1 2 . 1 1 76 76 CYS N N 76 115.021 115.021 115.801 -0.780 25830 940 1 2 . 1 1 76 76 CYS HA H 76 4.895 4.895 4.453 0.442 25830 941 1 2 . 1 1 76 76 CYS C C 76 172.300 172.300 175.407 -3.107 25830 942 1 2 . 1 1 76 76 CYS CA C 76 49.730 49.730 58.726 -8.996 25830 943 1 2 . 1 1 76 76 CYS CB C 76 32.817 32.817 26.366 6.451 25830 944 1 2 . 1 1 76 76 CYS H H 76 7.756 7.756 7.690 0.066 25830 945 1 2 . 1 1 77 77 GLY N N 77 109.352 109.352 108.047 1.305 25830 946 1 2 . 1 1 77 77 GLY C C 77 171.753 171.753 174.150 -2.397 25830 947 1 2 . 1 1 77 77 GLY CA C 77 43.794 43.794 45.327 -1.533 25830 948 1 2 . 1 1 77 77 GLY H H 77 7.894 7.894 7.746 0.148 25830 949 1 2 . 1 1 78 78 VAL N N 78 115.528 115.528 116.626 -1.098 25830 950 1 2 . 1 1 78 78 VAL HA H 78 4.491 4.491 4.415 0.076 25830 951 1 2 . 1 1 78 78 VAL C C 78 171.256 171.256 174.099 -2.843 25830 952 1 2 . 1 1 78 78 VAL CA C 78 56.800 56.800 60.863 -4.063 25830 953 1 2 . 1 1 78 78 VAL CB C 78 31.741 31.741 33.507 -1.766 25830 954 1 2 . 1 1 78 78 VAL H H 78 8.137 8.137 7.456 0.681 25830 955 1 2 . 1 1 79 79 SER N N 79 116.418 116.418 118.166 -1.748 25830 956 1 2 . 1 1 79 79 SER HA H 79 4.583 4.583 4.616 -0.033 25830 957 1 2 . 1 1 79 79 SER C C 79 170.681 170.681 173.540 -2.859 25830 958 1 2 . 1 1 79 79 SER CA C 79 54.258 54.258 57.077 -2.819 25830 959 1 2 . 1 1 79 79 SER CB C 79 61.468 61.468 64.008 -2.540 25830 960 1 2 . 1 1 79 79 SER H H 79 8.124 8.124 8.185 -0.061 25830 961 1 2 . 1 1 80 80 ILE N N 80 120.257 120.257 123.814 -3.557 25830 962 1 2 . 1 1 80 80 ILE HA H 80 4.639 4.639 4.615 0.024 25830 963 1 2 . 1 1 80 80 ILE C C 80 172.830 172.830 174.081 -1.251 25830 964 1 2 . 1 1 80 80 ILE CA C 80 55.333 55.333 57.650 -2.317 25830 965 1 2 . 1 1 80 80 ILE CB C 80 38.093 38.093 37.370 0.723 25830 966 1 2 . 1 1 80 80 ILE H H 80 8.089 8.089 8.173 -0.084 25830 967 1 2 . 1 1 81 81 PRO HA H 81 4.547 4.547 4.347 0.200 25830 968 1 2 . 1 1 81 81 PRO C C 81 171.325 171.325 175.932 -4.607 25830 969 1 2 . 1 1 81 81 PRO CA C 81 60.903 60.903 64.046 -3.143 25830 970 1 2 . 1 1 81 81 PRO CB C 81 27.693 27.693 32.345 -4.652 25830 971 1 2 . 1 1 82 82 TYR N N 82 115.259 115.259 115.685 -0.426 25830 972 1 2 . 1 1 82 82 TYR HA H 82 4.732 4.732 4.782 -0.050 25830 973 1 2 . 1 1 82 82 TYR C C 82 170.187 170.187 174.045 -3.858 25830 974 1 2 . 1 1 82 82 TYR CA C 82 51.930 51.930 55.850 -3.920 25830 975 1 2 . 1 1 82 82 TYR CB C 82 37.275 37.275 39.585 -2.310 25830 976 1 2 . 1 1 82 82 TYR H H 82 6.642 6.642 7.090 -0.448 25830 977 1 2 . 1 1 83 83 LYS N N 83 116.992 116.992 118.658 -1.666 25830 978 1 2 . 1 1 83 83 LYS HA H 83 4.464 4.464 4.627 -0.163 25830 979 1 2 . 1 1 83 83 LYS C C 83 174.342 174.342 175.724 -1.382 25830 980 1 2 . 1 1 83 83 LYS CA C 83 51.653 51.653 54.976 -3.323 25830 981 1 2 . 1 1 83 83 LYS CB C 83 31.513 31.513 36.129 -4.616 25830 982 1 2 . 1 1 83 83 LYS H H 83 8.301 8.301 8.489 -0.188 25830 983 1 2 . 1 1 84 84 ILE N N 84 126.906 126.906 121.219 5.687 25830 984 1 2 . 1 1 84 84 ILE HA H 84 3.913 3.913 4.399 -0.486 25830 985 1 2 . 1 1 84 84 ILE C C 84 170.945 170.945 174.544 -3.599 25830 986 1 2 . 1 1 84 84 ILE CA C 84 59.761 59.761 60.987 -1.226 25830 987 1 2 . 1 1 84 84 ILE CB C 84 33.534 33.534 36.957 -3.423 25830 988 1 2 . 1 1 84 84 ILE H H 84 9.304 9.304 8.615 0.689 25830 989 1 2 . 1 1 85 85 SER N N 85 120.246 120.246 117.215 3.031 25830 990 1 2 . 1 1 85 85 SER HA H 85 4.563 4.563 4.800 -0.237 25830 991 1 2 . 1 1 85 85 SER C C 85 171.695 171.695 175.140 -3.445 25830 992 1 2 . 1 1 85 85 SER CA C 85 53.394 53.394 56.297 -2.903 25830 993 1 2 . 1 1 85 85 SER CB C 85 61.638 61.638 65.462 -3.824 25830 994 1 2 . 1 1 85 85 SER H H 85 7.256 7.256 7.919 -0.663 25830 995 1 2 . 1 1 86 86 THR N N 86 115.458 115.458 116.577 -1.119 25830 996 1 2 . 1 1 86 86 THR HA H 86 4.147 4.147 4.236 -0.089 25830 997 1 2 . 1 1 86 86 THR C C 86 172.663 172.663 175.202 -2.539 25830 998 1 2 . 1 1 86 86 THR CA C 86 61.527 61.527 64.401 -2.874 25830 999 1 2 . 1 1 86 86 THR CB C 86 65.858 65.858 68.792 -2.934 25830 1000 1 2 . 1 1 86 86 THR H H 86 8.819 8.819 8.644 0.175 25830 1001 1 2 . 1 1 87 87 SER N N 87 114.029 114.029 115.100 -1.071 25830 1002 1 2 . 1 1 87 87 SER HA H 87 4.524 4.524 4.451 0.073 25830 1003 1 2 . 1 1 87 87 SER C C 87 172.010 172.010 175.138 -3.128 25830 1004 1 2 . 1 1 87 87 SER CA C 87 55.408 55.408 59.134 -3.726 25830 1005 1 2 . 1 1 87 87 SER CB C 87 61.144 61.144 63.657 -2.513 25830 1006 1 2 . 1 1 87 87 SER H H 87 8.239 8.239 7.729 0.510 25830 1007 1 2 . 1 1 88 88 THR N N 88 120.831 120.831 120.290 0.541 25830 1008 1 2 . 1 1 88 88 THR HA H 88 3.808 3.808 4.262 -0.454 25830 1009 1 2 . 1 1 88 88 THR C C 88 181.273 181.273 174.619 6.654 25830 1010 1 2 . 1 1 88 88 THR CA C 88 61.409 61.409 63.703 -2.293 25830 1011 1 2 . 1 1 88 88 THR CB C 88 67.556 67.556 69.439 -1.883 25830 1012 1 2 . 1 1 88 88 THR H H 88 7.142 7.142 7.316 -0.174 25830 1013 1 2 . 1 1 89 89 ASN N N 89 124.818 124.818 125.842 -1.024 25830 1014 1 2 . 1 1 89 89 ASN HA H 89 4.819 4.819 4.767 0.052 25830 1015 1 2 . 1 1 89 89 ASN C C 89 173.325 173.325 175.413 -2.088 25830 1016 1 2 . 1 1 89 89 ASN CA C 89 48.483 48.483 52.048 -3.566 25830 1017 1 2 . 1 1 89 89 ASN CB C 89 34.958 34.958 37.303 -2.345 25830 1018 1 2 . 1 1 89 89 ASN H H 89 8.754 8.754 8.730 0.024 25830 1019 1 2 . 1 1 90 90 CYS N N 90 123.361 123.361 121.814 1.547 25830 1020 1 2 . 1 1 90 90 CYS HA H 90 4.174 4.174 4.129 0.045 25830 1021 1 2 . 1 1 90 90 CYS C C 90 172.573 172.573 176.195 -3.622 25830 1022 1 2 . 1 1 90 90 CYS CA C 90 54.158 54.158 60.667 -6.509 25830 1023 1 2 . 1 1 90 90 CYS CB C 90 36.687 36.687 26.465 10.222 25830 1024 1 2 . 1 1 90 90 CYS H H 90 8.790 8.790 8.168 0.622 25830 1025 1 2 . 1 1 91 91 ASN N N 91 115.199 115.199 116.853 -1.654 25830 1026 1 2 . 1 1 91 91 ASN HA H 91 4.578 4.578 4.531 0.047 25830 1027 1 2 . 1 1 91 91 ASN C C 91 173.584 173.584 176.037 -2.453 25830 1028 1 2 . 1 1 91 91 ASN CA C 91 52.264 52.264 55.120 -2.857 25830 1029 1 2 . 1 1 91 91 ASN CB C 91 35.690 35.690 38.549 -2.859 25830 1030 1 2 . 1 1 91 91 ASN H H 91 8.320 8.320 8.215 0.105 25830 1031 1 2 . 1 1 92 92 THR N N 92 107.497 107.497 111.919 -4.422 25830 1032 1 2 . 1 1 92 92 THR HA H 92 4.388 4.388 4.394 -0.006 25830 1033 1 2 . 1 1 92 92 THR C C 92 171.702 171.702 174.756 -3.054 25830 1034 1 2 . 1 1 92 92 THR CA C 92 58.280 58.280 61.130 -2.850 25830 1035 1 2 . 1 1 92 92 THR CB C 92 66.107 66.107 68.841 -2.733 25830 1036 1 2 . 1 1 92 92 THR H H 92 7.338 7.338 7.675 -0.337 25830 1037 1 2 . 1 1 93 93 VAL N N 93 123.151 123.151 121.921 1.230 25830 1038 1 2 . 1 1 93 93 VAL HA H 93 3.667 3.667 4.048 -0.381 25830 1039 1 2 . 1 1 93 93 VAL C C 93 172.207 172.207 175.882 -3.675 25830 1040 1 2 . 1 1 93 93 VAL CA C 93 59.846 59.846 62.162 -2.316 25830 1041 1 2 . 1 1 93 93 VAL CB C 93 29.999 29.999 32.677 -2.678 25830 1042 1 2 . 1 1 93 93 VAL H H 93 6.806 6.806 7.366 -0.560 25830 1043 1 2 . 1 1 94 94 ARG N N 94 127.129 127.129 125.344 1.785 25830 1044 1 2 . 1 1 94 94 ARG HA H 94 4.339 4.339 4.097 0.242 25830 1045 1 2 . 1 1 94 94 ARG C C 94 171.859 171.859 176.827 -4.968 25830 1046 1 2 . 1 1 94 94 ARG CA C 94 52.395 52.395 55.224 -2.829 25830 1047 1 2 . 1 1 94 94 ARG CB C 94 26.973 26.973 30.805 -3.832 25830 1048 1 2 . 1 1 94 94 ARG H H 94 8.201 8.201 8.395 -0.194 25830 1049 1 3 . 1 1 2 2 LEU N N 2 123.438 123.438 121.406 2.032 25830 1050 1 3 . 1 1 2 2 LEU HA H 2 4.344 4.344 4.627 -0.283 25830 1051 1 3 . 1 1 2 2 LEU C C 2 172.388 172.388 176.310 -3.922 25830 1052 1 3 . 1 1 2 2 LEU CA C 2 52.560 52.560 54.864 -2.304 25830 1053 1 3 . 1 1 2 2 LEU CB C 2 40.603 40.603 42.547 -1.944 25830 1054 1 3 . 1 1 2 2 LEU H H 2 8.368 8.368 8.536 -0.168 25830 1055 1 3 . 1 1 3 3 SER N N 3 119.868 119.868 119.458 0.410 25830 1056 1 3 . 1 1 3 3 SER HA H 3 4.748 4.748 4.695 0.053 25830 1057 1 3 . 1 1 3 3 SER C C 3 173.163 173.163 175.708 -2.545 25830 1058 1 3 . 1 1 3 3 SER CA C 3 53.523 53.523 56.936 -3.413 25830 1059 1 3 . 1 1 3 3 SER CB C 3 62.412 62.412 65.726 -3.314 25830 1060 1 3 . 1 1 3 3 SER H H 3 8.550 8.550 8.261 0.289 25830 1061 1 3 . 1 1 4 4 CYS N N 4 120.408 120.408 121.317 -0.909 25830 1062 1 3 . 1 1 4 4 CYS HA H 4 4.586 4.586 4.349 0.237 25830 1063 1 3 . 1 1 4 4 CYS C C 4 175.067 175.067 176.913 -1.846 25830 1064 1 3 . 1 1 4 4 CYS CA C 4 52.166 52.166 61.177 -9.011 25830 1065 1 3 . 1 1 4 4 CYS CB C 4 30.372 30.372 26.986 3.386 25830 1066 1 3 . 1 1 4 4 CYS H H 4 9.222 9.222 8.949 0.273 25830 1067 1 3 . 1 1 5 5 GLY N N 5 110.663 110.663 106.956 3.707 25830 1068 1 3 . 1 1 5 5 GLY C C 5 174.023 174.023 175.515 -1.492 25830 1069 1 3 . 1 1 5 5 GLY CA C 5 44.577 44.577 47.244 -2.667 25830 1070 1 3 . 1 1 5 5 GLY H H 5 8.721 8.721 8.550 0.171 25830 1071 1 3 . 1 1 6 6 THR N N 6 118.884 118.884 115.860 3.024 25830 1072 1 3 . 1 1 6 6 THR HA H 6 4.031 4.031 4.461 -0.430 25830 1073 1 3 . 1 1 6 6 THR C C 6 172.782 172.782 175.916 -3.134 25830 1074 1 3 . 1 1 6 6 THR CA C 6 62.801 62.801 64.257 -1.456 25830 1075 1 3 . 1 1 6 6 THR CB C 6 65.896 65.896 69.714 -3.818 25830 1076 1 3 . 1 1 6 6 THR H H 6 7.676 7.676 7.433 0.243 25830 1077 1 3 . 1 1 7 7 VAL N N 7 120.789 120.789 122.763 -1.974 25830 1078 1 3 . 1 1 7 7 VAL HA H 7 3.607 3.607 3.891 -0.284 25830 1079 1 3 . 1 1 7 7 VAL C C 7 174.356 174.356 177.957 -3.601 25830 1080 1 3 . 1 1 7 7 VAL CA C 7 63.774 63.774 66.195 -2.421 25830 1081 1 3 . 1 1 7 7 VAL CB C 7 28.610 28.610 31.746 -3.136 25830 1082 1 3 . 1 1 7 7 VAL H H 7 7.280 7.280 7.203 0.077 25830 1083 1 3 . 1 1 8 8 SER N N 8 114.047 114.047 114.147 -0.100 25830 1084 1 3 . 1 1 8 8 SER HA H 8 3.858 3.858 4.027 -0.169 25830 1085 1 3 . 1 1 8 8 SER C C 8 173.948 173.948 175.985 -2.037 25830 1086 1 3 . 1 1 8 8 SER CA C 8 59.791 59.791 61.159 -1.368 25830 1087 1 3 . 1 1 8 8 SER CB C 8 59.242 59.242 62.906 -3.664 25830 1088 1 3 . 1 1 8 8 SER H H 8 8.501 8.501 7.696 0.805 25830 1089 1 3 . 1 1 9 9 ALA N N 9 123.669 123.669 122.799 0.870 25830 1090 1 3 . 1 1 9 9 ALA HA H 9 4.165 4.165 4.096 0.069 25830 1091 1 3 . 1 1 9 9 ALA C C 9 177.740 177.740 179.318 -1.578 25830 1092 1 3 . 1 1 9 9 ALA CA C 9 52.218 52.218 54.828 -2.610 25830 1093 1 3 . 1 1 9 9 ALA CB C 9 15.348 15.348 18.237 -2.889 25830 1094 1 3 . 1 1 9 9 ALA H H 9 7.685 7.685 7.627 0.058 25830 1095 1 3 . 1 1 10 10 ASP N N 10 118.653 118.653 117.320 1.333 25830 1096 1 3 . 1 1 10 10 ASP HA H 10 4.414 4.414 4.452 -0.038 25830 1097 1 3 . 1 1 10 10 ASP C C 10 173.327 173.327 177.840 -4.513 25830 1098 1 3 . 1 1 10 10 ASP CA C 10 53.357 53.357 55.877 -2.520 25830 1099 1 3 . 1 1 10 10 ASP CB C 10 35.579 35.579 40.704 -5.125 25830 1100 1 3 . 1 1 10 10 ASP H H 10 8.161 8.161 7.865 0.296 25830 1101 1 3 . 1 1 11 11 LEU N N 11 115.104 115.104 120.411 -5.307 25830 1102 1 3 . 1 1 11 11 LEU HA H 11 4.183 4.183 4.219 -0.036 25830 1103 1 3 . 1 1 11 11 LEU C C 11 175.206 175.206 177.515 -2.309 25830 1104 1 3 . 1 1 11 11 LEU CA C 11 51.360 51.360 56.486 -5.126 25830 1105 1 3 . 1 1 11 11 LEU CB C 11 40.185 40.185 41.812 -1.627 25830 1106 1 3 . 1 1 11 11 LEU H H 11 7.731 7.731 7.489 0.242 25830 1107 1 3 . 1 1 12 12 ALA N N 12 124.133 124.133 123.175 0.958 25830 1108 1 3 . 1 1 12 12 ALA HA H 12 4.309 4.309 4.092 0.217 25830 1109 1 3 . 1 1 12 12 ALA C C 12 174.540 174.540 177.427 -2.887 25830 1110 1 3 . 1 1 12 12 ALA CA C 12 54.075 54.075 56.824 -2.749 25830 1111 1 3 . 1 1 12 12 ALA CB C 12 13.256 13.256 16.220 -2.963 25830 1112 1 3 . 1 1 12 12 ALA H H 12 7.481 7.481 7.967 -0.486 25830 1113 1 3 . 1 1 13 13 PRO HA H 13 4.674 4.674 4.476 0.198 25830 1114 1 3 . 1 1 13 13 PRO C C 13 174.824 174.824 176.746 -1.922 25830 1115 1 3 . 1 1 13 13 PRO CA C 13 61.982 61.982 64.545 -2.563 25830 1116 1 3 . 1 1 13 13 PRO CB C 13 28.804 28.804 31.211 -2.407 25830 1117 1 3 . 1 1 14 14 CYS N N 14 114.225 114.225 116.851 -2.626 25830 1118 1 3 . 1 1 14 14 CYS HA H 14 4.722 4.722 4.618 0.104 25830 1119 1 3 . 1 1 14 14 CYS C C 14 172.376 172.376 176.841 -4.465 25830 1120 1 3 . 1 1 14 14 CYS CA C 14 51.481 51.481 60.515 -9.034 25830 1121 1 3 . 1 1 14 14 CYS CB C 14 39.508 39.508 27.364 12.144 25830 1122 1 3 . 1 1 14 14 CYS H H 14 8.938 8.938 7.609 1.329 25830 1123 1 3 . 1 1 15 15 VAL N N 15 122.488 122.488 122.056 0.432 25830 1124 1 3 . 1 1 15 15 VAL HA H 15 3.350 3.350 3.516 -0.166 25830 1125 1 3 . 1 1 15 15 VAL C C 15 173.644 173.644 177.372 -3.728 25830 1126 1 3 . 1 1 15 15 VAL CA C 15 66.608 66.608 67.501 -0.893 25830 1127 1 3 . 1 1 15 15 VAL CB C 15 28.692 28.692 31.671 -2.979 25830 1128 1 3 . 1 1 15 15 VAL H H 15 7.767 7.767 8.266 -0.499 25830 1129 1 3 . 1 1 16 16 THR N N 16 112.169 112.169 114.183 -2.014 25830 1130 1 3 . 1 1 16 16 THR HA H 16 4.012 4.012 3.908 0.104 25830 1131 1 3 . 1 1 16 16 THR C C 16 175.021 175.021 176.272 -1.251 25830 1132 1 3 . 1 1 16 16 THR CA C 16 63.879 63.879 66.264 -2.385 25830 1133 1 3 . 1 1 16 16 THR CB C 16 65.364 65.364 68.918 -3.554 25830 1134 1 3 . 1 1 16 16 THR H H 16 8.258 8.258 7.832 0.426 25830 1135 1 3 . 1 1 17 17 TYR N N 17 124.563 124.563 120.806 3.757 25830 1136 1 3 . 1 1 17 17 TYR HA H 17 4.265 4.265 4.357 -0.092 25830 1137 1 3 . 1 1 17 17 TYR C C 17 174.326 174.326 177.574 -3.248 25830 1138 1 3 . 1 1 17 17 TYR CA C 17 58.001 58.001 60.664 -2.663 25830 1139 1 3 . 1 1 17 17 TYR CB C 17 35.252 35.252 38.471 -3.219 25830 1140 1 3 . 1 1 17 17 TYR H H 17 8.280 8.280 8.047 0.233 25830 1141 1 3 . 1 1 18 18 LEU N N 18 119.213 119.213 118.569 0.644 25830 1142 1 3 . 1 1 18 18 LEU HA H 18 3.630 3.630 3.849 -0.219 25830 1143 1 3 . 1 1 18 18 LEU C C 18 172.858 172.858 177.849 -4.991 25830 1144 1 3 . 1 1 18 18 LEU CA C 18 54.171 54.171 56.809 -2.638 25830 1145 1 3 . 1 1 18 18 LEU CB C 18 38.310 38.310 41.562 -3.252 25830 1146 1 3 . 1 1 18 18 LEU H H 18 8.394 8.394 8.024 0.370 25830 1147 1 3 . 1 1 19 19 GLN N N 19 114.782 114.782 114.618 0.164 25830 1148 1 3 . 1 1 19 19 GLN HA H 19 4.582 4.582 4.362 0.220 25830 1149 1 3 . 1 1 19 19 GLN C C 19 172.754 172.754 175.571 -2.817 25830 1150 1 3 . 1 1 19 19 GLN CA C 19 52.320 52.320 55.396 -3.076 25830 1151 1 3 . 1 1 19 19 GLN CB C 19 27.954 27.954 30.220 -2.266 25830 1152 1 3 . 1 1 19 19 GLN H H 19 7.319 7.319 7.349 -0.030 25830 1153 1 3 . 1 1 20 20 ALA N N 20 126.473 126.473 123.528 2.945 25830 1154 1 3 . 1 1 20 20 ALA HA H 20 4.494 4.494 4.479 0.015 25830 1155 1 3 . 1 1 20 20 ALA C C 20 171.072 171.072 175.969 -4.897 25830 1156 1 3 . 1 1 20 20 ALA CA C 20 48.862 48.862 50.224 -1.362 25830 1157 1 3 . 1 1 20 20 ALA CB C 20 15.610 15.610 18.332 -2.723 25830 1158 1 3 . 1 1 20 20 ALA H H 20 7.292 7.292 7.189 0.103 25830 1159 1 3 . 1 1 21 21 PRO HA H 21 4.440 4.440 4.397 0.043 25830 1160 1 3 . 1 1 21 21 PRO C C 21 174.052 174.052 176.956 -2.904 25830 1161 1 3 . 1 1 21 21 PRO CA C 21 59.522 59.522 61.783 -2.261 25830 1162 1 3 . 1 1 21 21 PRO CB C 21 29.853 29.853 32.417 -2.564 25830 1163 1 3 . 1 1 22 22 ASN N N 22 117.448 117.448 116.410 1.038 25830 1164 1 3 . 1 1 22 22 ASN HA H 22 4.754 4.754 4.439 0.315 25830 1165 1 3 . 1 1 22 22 ASN C C 22 173.299 173.299 175.437 -2.138 25830 1166 1 3 . 1 1 22 22 ASN CA C 22 51.478 51.478 55.032 -3.554 25830 1167 1 3 . 1 1 22 22 ASN CB C 22 35.291 35.291 38.164 -2.873 25830 1168 1 3 . 1 1 22 22 ASN H H 22 8.466 8.466 8.603 -0.137 25830 1169 1 3 . 1 1 23 23 ASN N N 23 113.171 113.171 116.822 -3.651 25830 1170 1 3 . 1 1 23 23 ASN HA H 23 4.555 4.555 4.768 -0.213 25830 1171 1 3 . 1 1 23 23 ASN C C 23 172.210 172.210 174.270 -2.060 25830 1172 1 3 . 1 1 23 23 ASN CA C 23 50.626 50.626 52.547 -1.921 25830 1173 1 3 . 1 1 23 23 ASN CB C 23 34.278 34.278 37.716 -3.438 25830 1174 1 3 . 1 1 23 23 ASN H H 23 8.187 8.187 8.070 0.117 25830 1175 1 3 . 1 1 24 24 ALA N N 24 122.578 122.578 123.412 -0.834 25830 1176 1 3 . 1 1 24 24 ALA HA H 24 4.394 4.394 4.265 0.129 25830 1177 1 3 . 1 1 24 24 ALA C C 24 173.708 173.708 176.014 -2.306 25830 1178 1 3 . 1 1 24 24 ALA CA C 24 49.696 49.696 52.691 -2.995 25830 1179 1 3 . 1 1 24 24 ALA CB C 24 18.288 18.288 19.787 -1.499 25830 1180 1 3 . 1 1 24 24 ALA H H 24 7.381 7.381 7.320 0.061 25830 1181 1 3 . 1 1 25 25 SER N N 25 115.237 115.237 115.891 -0.654 25830 1182 1 3 . 1 1 25 25 SER HA H 25 4.922 4.922 4.759 0.163 25830 1183 1 3 . 1 1 25 25 SER C C 25 181.107 181.107 172.081 9.026 25830 1184 1 3 . 1 1 25 25 SER CA C 25 53.033 53.033 55.066 -2.033 25830 1185 1 3 . 1 1 25 25 SER CB C 25 61.549 61.549 64.106 -2.557 25830 1186 1 3 . 1 1 25 25 SER H H 25 8.649 8.649 8.601 0.048 25830 1187 1 3 . 1 1 26 26 PRO HA H 26 4.014 4.014 4.192 -0.178 25830 1188 1 3 . 1 1 26 26 PRO CA C 26 57.292 57.292 61.927 -4.635 25830 1189 1 3 . 1 1 26 26 PRO CB C 26 27.450 27.450 31.064 -3.614 25830 1190 1 3 . 1 1 27 27 PRO HA H 27 4.881 4.881 4.571 0.310 25830 1191 1 3 . 1 1 27 27 PRO CA C 27 58.500 58.500 61.596 -3.096 25830 1192 1 3 . 1 1 27 27 PRO CB C 27 28.489 28.489 31.578 -3.089 25830 1193 1 3 . 1 1 28 28 PRO HA H 28 4.421 4.421 4.268 0.153 25830 1194 1 3 . 1 1 28 28 PRO CA C 28 64.505 64.505 66.741 -2.236 25830 1195 1 3 . 1 1 28 28 PRO CB C 28 26.217 26.217 29.806 -3.589 25830 1196 1 3 . 1 1 29 29 PRO HA H 29 4.477 4.477 4.276 0.201 25830 1197 1 3 . 1 1 29 29 PRO C C 29 177.330 177.330 178.767 -1.437 25830 1198 1 3 . 1 1 29 29 PRO CA C 29 62.883 62.883 65.660 -2.777 25830 1199 1 3 . 1 1 29 29 PRO CB C 29 28.301 28.301 31.173 -2.872 25830 1200 1 3 . 1 1 30 30 CYS N N 30 114.694 114.694 117.269 -2.575 25830 1201 1 3 . 1 1 30 30 CYS HA H 30 4.456 4.456 4.274 0.182 25830 1202 1 3 . 1 1 30 30 CYS C C 30 172.260 172.260 176.757 -4.497 25830 1203 1 3 . 1 1 30 30 CYS CA C 30 55.585 55.585 61.349 -5.764 25830 1204 1 3 . 1 1 30 30 CYS CB C 30 34.602 34.602 25.816 8.786 25830 1205 1 3 . 1 1 30 30 CYS H H 30 7.637 7.637 7.632 0.005 25830 1206 1 3 . 1 1 31 31 CYS N N 31 116.335 116.335 120.416 -4.081 25830 1207 1 3 . 1 1 31 31 CYS HA H 31 4.607 4.607 4.088 0.519 25830 1208 1 3 . 1 1 31 31 CYS C C 31 174.401 174.401 177.191 -2.790 25830 1209 1 3 . 1 1 31 31 CYS CA C 31 51.858 51.858 62.744 -10.886 25830 1210 1 3 . 1 1 31 31 CYS CB C 31 29.979 29.979 25.645 4.334 25830 1211 1 3 . 1 1 31 31 CYS H H 31 7.083 7.083 7.807 -0.724 25830 1212 1 3 . 1 1 32 32 ALA N N 32 121.738 121.738 121.365 0.373 25830 1213 1 3 . 1 1 32 32 ALA HA H 32 4.070 4.070 4.000 0.070 25830 1214 1 3 . 1 1 32 32 ALA C C 32 177.730 177.730 179.366 -1.636 25830 1215 1 3 . 1 1 32 32 ALA CA C 32 52.557 52.557 55.157 -2.600 25830 1216 1 3 . 1 1 32 32 ALA CB C 32 15.204 15.204 17.993 -2.789 25830 1217 1 3 . 1 1 32 32 ALA H H 32 8.481 8.481 8.255 0.226 25830 1218 1 3 . 1 1 33 33 GLY N N 33 108.715 108.715 106.510 2.205 25830 1219 1 3 . 1 1 33 33 GLY C C 33 172.825 172.825 176.166 -3.341 25830 1220 1 3 . 1 1 33 33 GLY CA C 33 44.748 44.748 47.028 -2.280 25830 1221 1 3 . 1 1 33 33 GLY H H 33 7.683 7.683 7.745 -0.062 25830 1222 1 3 . 1 1 34 34 VAL N N 34 121.079 121.079 120.979 0.100 25830 1223 1 3 . 1 1 34 34 VAL HA H 34 3.489 3.489 3.595 -0.106 25830 1224 1 3 . 1 1 34 34 VAL C C 34 174.764 174.764 178.408 -3.644 25830 1225 1 3 . 1 1 34 34 VAL CA C 34 63.930 63.930 65.677 -1.746 25830 1226 1 3 . 1 1 34 34 VAL CB C 34 29.037 29.037 31.724 -2.687 25830 1227 1 3 . 1 1 34 34 VAL H H 34 8.085 8.085 7.416 0.669 25830 1228 1 3 . 1 1 35 35 LYS N N 35 117.845 117.845 119.312 -1.467 25830 1229 1 3 . 1 1 35 35 LYS HA H 35 3.814 3.814 4.071 -0.257 25830 1230 1 3 . 1 1 35 35 LYS C C 35 176.677 176.677 179.033 -2.356 25830 1231 1 3 . 1 1 35 35 LYS CA C 35 57.849 57.849 59.083 -1.234 25830 1232 1 3 . 1 1 35 35 LYS CB C 35 29.635 29.635 31.904 -2.269 25830 1233 1 3 . 1 1 35 35 LYS H H 35 8.089 8.089 7.476 0.613 25830 1234 1 3 . 1 1 36 36 LYS N N 36 120.507 120.507 120.078 0.429 25830 1235 1 3 . 1 1 36 36 LYS HA H 36 3.946 3.946 4.093 -0.147 25830 1236 1 3 . 1 1 36 36 LYS C C 36 176.481 176.481 178.149 -1.668 25830 1237 1 3 . 1 1 36 36 LYS CA C 36 56.889 56.889 58.570 -1.681 25830 1238 1 3 . 1 1 36 36 LYS CB C 36 29.999 29.999 32.187 -2.188 25830 1239 1 3 . 1 1 36 36 LYS H H 36 7.940 7.940 7.815 0.125 25830 1240 1 3 . 1 1 37 37 LEU N N 37 121.929 121.929 120.114 1.815 25830 1241 1 3 . 1 1 37 37 LEU HA H 37 4.012 4.012 4.031 -0.019 25830 1242 1 3 . 1 1 37 37 LEU C C 37 175.490 175.490 178.871 -3.381 25830 1243 1 3 . 1 1 37 37 LEU CA C 37 55.567 55.567 57.546 -1.979 25830 1244 1 3 . 1 1 37 37 LEU CB C 37 38.621 38.621 40.827 -2.206 25830 1245 1 3 . 1 1 37 37 LEU H H 37 7.882 7.882 7.460 0.422 25830 1246 1 3 . 1 1 38 38 LEU N N 38 117.061 117.061 120.125 -3.064 25830 1247 1 3 . 1 1 38 38 LEU HA H 38 4.050 4.050 3.936 0.114 25830 1248 1 3 . 1 1 38 38 LEU C C 38 177.275 177.275 177.962 -0.687 25830 1249 1 3 . 1 1 38 38 LEU CA C 38 54.535 54.535 58.053 -3.518 25830 1250 1 3 . 1 1 38 38 LEU CB C 38 38.448 38.448 41.188 -2.740 25830 1251 1 3 . 1 1 38 38 LEU H H 38 7.812 7.812 7.684 0.128 25830 1252 1 3 . 1 1 39 39 ALA N N 39 119.986 119.986 118.411 1.575 25830 1253 1 3 . 1 1 39 39 ALA HA H 39 4.105 4.105 4.241 -0.136 25830 1254 1 3 . 1 1 39 39 ALA C C 39 175.721 175.721 178.297 -2.576 25830 1255 1 3 . 1 1 39 39 ALA CA C 39 50.910 50.910 52.959 -2.049 25830 1256 1 3 . 1 1 39 39 ALA CB C 39 15.545 15.545 19.281 -3.736 25830 1257 1 3 . 1 1 39 39 ALA H H 39 7.914 7.914 7.563 0.351 25830 1258 1 3 . 1 1 40 40 ALA N N 40 118.015 118.015 121.917 -3.902 25830 1259 1 3 . 1 1 40 40 ALA HA H 40 4.266 4.266 4.283 -0.017 25830 1260 1 3 . 1 1 40 40 ALA C C 40 174.416 174.416 178.083 -3.667 25830 1261 1 3 . 1 1 40 40 ALA CA C 40 49.886 49.886 53.324 -3.438 25830 1262 1 3 . 1 1 40 40 ALA CB C 40 16.330 16.330 19.623 -3.293 25830 1263 1 3 . 1 1 40 40 ALA H H 40 7.302 7.302 7.519 -0.217 25830 1264 1 3 . 1 1 41 41 ALA N N 41 122.389 122.389 121.085 1.304 25830 1265 1 3 . 1 1 41 41 ALA HA H 41 4.605 4.605 4.280 0.325 25830 1266 1 3 . 1 1 41 41 ALA C C 41 172.709 172.709 177.326 -4.617 25830 1267 1 3 . 1 1 41 41 ALA CA C 41 47.917 47.917 52.316 -4.399 25830 1268 1 3 . 1 1 41 41 ALA CB C 41 15.072 15.072 19.923 -4.851 25830 1269 1 3 . 1 1 41 41 ALA H H 41 7.304 7.304 7.997 -0.693 25830 1270 1 3 . 1 1 42 42 THR N N 42 113.142 113.142 114.070 -0.928 25830 1271 1 3 . 1 1 42 42 THR HA H 42 4.422 4.422 4.289 0.133 25830 1272 1 3 . 1 1 42 42 THR C C 42 172.086 172.086 175.275 -3.189 25830 1273 1 3 . 1 1 42 42 THR CA C 42 59.772 59.772 63.188 -3.417 25830 1274 1 3 . 1 1 42 42 THR CB C 42 66.992 66.992 68.917 -1.925 25830 1275 1 3 . 1 1 42 42 THR H H 42 8.663 8.663 8.088 0.575 25830 1276 1 3 . 1 1 43 43 THR N N 43 111.501 111.501 112.241 -0.740 25830 1277 1 3 . 1 1 43 43 THR HA H 43 4.704 4.704 4.629 0.075 25830 1278 1 3 . 1 1 43 43 THR C C 43 172.283 172.283 175.086 -2.803 25830 1279 1 3 . 1 1 43 43 THR CA C 43 56.869 56.869 59.700 -2.831 25830 1280 1 3 . 1 1 43 43 THR CB C 43 69.211 69.211 71.691 -2.480 25830 1281 1 3 . 1 1 43 43 THR H H 43 7.705 7.705 7.521 0.184 25830 1282 1 3 . 1 1 44 44 THR N N 44 119.157 119.157 116.047 3.110 25830 1283 1 3 . 1 1 44 44 THR HA H 44 3.861 3.861 4.309 -0.448 25830 1284 1 3 . 1 1 44 44 THR CA C 44 66.420 66.420 66.614 -0.194 25830 1285 1 3 . 1 1 44 44 THR CB C 44 63.702 63.702 67.236 -3.534 25830 1286 1 3 . 1 1 44 44 THR H H 44 9.305 9.305 8.586 0.719 25830 1287 1 3 . 1 1 45 45 PRO HA H 45 4.345 4.345 4.371 -0.026 25830 1288 1 3 . 1 1 45 45 PRO C C 45 177.238 177.238 178.137 -0.899 25830 1289 1 3 . 1 1 45 45 PRO CA C 45 63.192 63.192 65.013 -1.821 25830 1290 1 3 . 1 1 45 45 PRO CB C 45 28.232 28.232 31.377 -3.145 25830 1291 1 3 . 1 1 46 46 ASP N N 46 117.412 117.412 119.761 -2.349 25830 1292 1 3 . 1 1 46 46 ASP HA H 46 4.571 4.571 4.433 0.138 25830 1293 1 3 . 1 1 46 46 ASP C C 46 175.358 175.358 178.082 -2.724 25830 1294 1 3 . 1 1 46 46 ASP CA C 46 54.436 54.436 56.763 -2.327 25830 1295 1 3 . 1 1 46 46 ASP CB C 46 37.884 37.884 40.396 -2.512 25830 1296 1 3 . 1 1 46 46 ASP H H 46 7.238 7.238 8.145 -0.906 25830 1297 1 3 . 1 1 47 47 ARG N N 47 122.342 122.342 118.974 3.368 25830 1298 1 3 . 1 1 47 47 ARG HA H 47 3.754 3.754 4.084 -0.330 25830 1299 1 3 . 1 1 47 47 ARG C C 47 176.688 176.688 178.317 -1.629 25830 1300 1 3 . 1 1 47 47 ARG CA C 47 57.351 57.351 59.067 -1.716 25830 1301 1 3 . 1 1 47 47 ARG CB C 47 26.606 26.606 29.483 -2.877 25830 1302 1 3 . 1 1 47 47 ARG H H 47 8.383 8.383 7.645 0.738 25830 1303 1 3 . 1 1 48 48 GLN N N 48 120.813 120.813 119.317 1.496 25830 1304 1 3 . 1 1 48 48 GLN HA H 48 3.650 3.650 4.025 -0.375 25830 1305 1 3 . 1 1 48 48 GLN C C 48 175.354 175.354 177.437 -2.083 25830 1306 1 3 . 1 1 48 48 GLN CA C 48 56.742 56.742 58.427 -1.685 25830 1307 1 3 . 1 1 48 48 GLN CB C 48 25.406 25.406 28.407 -3.001 25830 1308 1 3 . 1 1 48 48 GLN H H 48 8.176 8.176 7.756 0.420 25830 1309 1 3 . 1 1 49 49 ALA N N 49 122.476 122.476 121.536 0.940 25830 1310 1 3 . 1 1 49 49 ALA HA H 49 4.224 4.224 3.970 0.254 25830 1311 1 3 . 1 1 49 49 ALA C C 49 177.581 177.581 179.056 -1.475 25830 1312 1 3 . 1 1 49 49 ALA CA C 49 52.410 52.410 54.806 -2.396 25830 1313 1 3 . 1 1 49 49 ALA CB C 49 15.305 15.305 18.032 -2.727 25830 1314 1 3 . 1 1 49 49 ALA H H 49 8.079 8.079 7.567 0.512 25830 1315 1 3 . 1 1 50 50 ALA N N 50 121.104 121.104 119.582 1.522 25830 1316 1 3 . 1 1 50 50 ALA HA H 50 3.686 3.686 4.006 -0.320 25830 1317 1 3 . 1 1 50 50 ALA C C 50 175.478 175.478 178.728 -3.250 25830 1318 1 3 . 1 1 50 50 ALA CA C 50 53.344 53.344 55.170 -1.827 25830 1319 1 3 . 1 1 50 50 ALA CB C 50 14.032 14.032 18.024 -3.992 25830 1320 1 3 . 1 1 50 50 ALA H H 50 8.494 8.494 7.708 0.786 25830 1321 1 3 . 1 1 51 51 CYS N N 51 117.063 117.063 116.722 0.341 25830 1322 1 3 . 1 1 51 51 CYS HA H 51 4.091 4.091 4.336 -0.245 25830 1323 1 3 . 1 1 51 51 CYS C C 51 173.692 173.692 176.547 -2.855 25830 1324 1 3 . 1 1 51 51 CYS CA C 51 57.660 57.660 61.157 -3.497 25830 1325 1 3 . 1 1 51 51 CYS CB C 51 34.278 34.278 25.750 8.528 25830 1326 1 3 . 1 1 51 51 CYS H H 51 7.466 7.466 8.594 -1.128 25830 1327 1 3 . 1 1 52 52 ASN N N 52 120.867 120.867 118.043 2.824 25830 1328 1 3 . 1 1 52 52 ASN HA H 52 4.403 4.403 4.661 -0.258 25830 1329 1 3 . 1 1 52 52 ASN C C 52 176.290 176.290 177.343 -1.053 25830 1330 1 3 . 1 1 52 52 ASN CA C 52 54.177 54.177 55.930 -1.753 25830 1331 1 3 . 1 1 52 52 ASN CB C 52 36.302 36.302 38.411 -2.109 25830 1332 1 3 . 1 1 52 52 ASN H H 52 8.164 8.164 7.691 0.473 25830 1333 1 3 . 1 1 53 53 CYS N N 53 119.542 119.542 119.355 0.187 25830 1334 1 3 . 1 1 53 53 CYS HA H 53 4.543 4.543 4.240 0.303 25830 1335 1 3 . 1 1 53 53 CYS C C 53 175.294 175.294 176.872 -1.578 25830 1336 1 3 . 1 1 53 53 CYS CA C 53 53.637 53.637 62.024 -8.387 25830 1337 1 3 . 1 1 53 53 CYS CB C 53 34.302 34.302 26.092 8.210 25830 1338 1 3 . 1 1 53 53 CYS H H 53 8.974 8.974 7.764 1.210 25830 1339 1 3 . 1 1 54 54 LEU N N 54 124.510 124.510 118.822 5.688 25830 1340 1 3 . 1 1 54 54 LEU HA H 54 3.964 3.964 4.014 -0.050 25830 1341 1 3 . 1 1 54 54 LEU C C 54 175.082 175.082 178.940 -3.858 25830 1342 1 3 . 1 1 54 54 LEU CA C 54 55.725 55.725 57.899 -2.174 25830 1343 1 3 . 1 1 54 54 LEU CB C 54 39.035 39.035 40.789 -1.754 25830 1344 1 3 . 1 1 54 54 LEU H H 54 8.794 8.794 8.026 0.768 25830 1345 1 3 . 1 1 55 55 LYS N N 55 120.615 120.615 119.086 1.529 25830 1346 1 3 . 1 1 55 55 LYS HA H 55 3.929 3.929 4.060 -0.131 25830 1347 1 3 . 1 1 55 55 LYS C C 55 176.860 176.860 178.773 -1.913 25830 1348 1 3 . 1 1 55 55 LYS CA C 55 57.089 57.089 59.417 -2.328 25830 1349 1 3 . 1 1 55 55 LYS CB C 55 30.420 30.420 32.224 -1.804 25830 1350 1 3 . 1 1 55 55 LYS H H 55 8.119 8.119 7.481 0.638 25830 1351 1 3 . 1 1 56 56 SER N N 56 113.653 113.653 115.115 -1.462 25830 1352 1 3 . 1 1 56 56 SER HA H 56 4.202 4.202 4.296 -0.094 25830 1353 1 3 . 1 1 56 56 SER C C 56 175.009 175.009 176.861 -1.852 25830 1354 1 3 . 1 1 56 56 SER CA C 56 58.397 58.397 60.708 -2.311 25830 1355 1 3 . 1 1 56 56 SER CB C 56 60.063 60.063 63.020 -2.957 25830 1356 1 3 . 1 1 56 56 SER H H 56 7.746 7.746 7.603 0.143 25830 1357 1 3 . 1 1 57 57 ALA N N 57 125.184 125.184 123.122 2.062 25830 1358 1 3 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.145 -0.072 25830 1359 1 3 . 1 1 57 57 ALA C C 57 177.735 177.735 179.511 -1.776 25830 1360 1 3 . 1 1 57 57 ALA CA C 57 52.222 52.222 54.560 -2.338 25830 1361 1 3 . 1 1 57 57 ALA CB C 57 14.710 14.710 18.123 -3.413 25830 1362 1 3 . 1 1 57 57 ALA H H 57 8.370 8.370 8.120 0.250 25830 1363 1 3 . 1 1 58 58 ALA N N 58 119.288 119.288 121.173 -1.885 25830 1364 1 3 . 1 1 58 58 ALA HA H 58 3.873 3.873 4.161 -0.288 25830 1365 1 3 . 1 1 58 58 ALA C C 58 176.201 176.201 179.594 -3.393 25830 1366 1 3 . 1 1 58 58 ALA CA C 58 52.154 52.154 54.472 -2.318 25830 1367 1 3 . 1 1 58 58 ALA CB C 58 13.944 13.944 18.534 -4.590 25830 1368 1 3 . 1 1 58 58 ALA H H 58 8.355 8.355 7.746 0.609 25830 1369 1 3 . 1 1 59 59 GLY N N 59 101.896 101.896 104.806 -2.910 25830 1370 1 3 . 1 1 59 59 GLY C C 59 171.619 171.619 174.677 -3.058 25830 1371 1 3 . 1 1 59 59 GLY CA C 59 43.245 43.245 45.653 -2.408 25830 1372 1 3 . 1 1 59 59 GLY H H 59 7.613 7.613 7.825 -0.212 25830 1373 1 3 . 1 1 60 60 SER N N 60 114.297 114.297 115.238 -0.941 25830 1374 1 3 . 1 1 60 60 SER HA H 60 4.548 4.548 4.595 -0.047 25830 1375 1 3 . 1 1 60 60 SER C C 60 171.232 171.232 173.947 -2.715 25830 1376 1 3 . 1 1 60 60 SER CA C 60 55.817 55.817 57.601 -1.784 25830 1377 1 3 . 1 1 60 60 SER CB C 60 61.793 61.793 64.014 -2.221 25830 1378 1 3 . 1 1 60 60 SER H H 60 7.570 7.570 7.601 -0.031 25830 1379 1 3 . 1 1 61 61 ILE N N 61 125.096 125.096 125.659 -0.563 25830 1380 1 3 . 1 1 61 61 ILE HA H 61 4.272 4.272 4.478 -0.206 25830 1381 1 3 . 1 1 61 61 ILE C C 61 170.966 170.966 174.316 -3.350 25830 1382 1 3 . 1 1 61 61 ILE CA C 61 56.364 56.364 58.148 -1.784 25830 1383 1 3 . 1 1 61 61 ILE CB C 61 36.307 36.307 39.207 -2.900 25830 1384 1 3 . 1 1 61 61 ILE H H 61 7.222 7.222 7.389 -0.167 25830 1385 1 3 . 1 1 62 62 PRO HA H 62 4.317 4.317 4.374 -0.057 25830 1386 1 3 . 1 1 62 62 PRO C C 62 173.935 173.935 176.163 -2.228 25830 1387 1 3 . 1 1 62 62 PRO CA C 62 60.634 60.634 63.144 -2.510 25830 1388 1 3 . 1 1 62 62 PRO CB C 62 29.399 29.399 31.740 -2.341 25830 1389 1 3 . 1 1 63 63 LYS N N 63 115.837 115.837 116.895 -1.058 25830 1390 1 3 . 1 1 63 63 LYS HA H 63 3.916 3.916 3.792 0.124 25830 1391 1 3 . 1 1 63 63 LYS C C 63 172.800 172.800 176.117 -3.317 25830 1392 1 3 . 1 1 63 63 LYS CA C 63 53.303 53.303 56.839 -3.536 25830 1393 1 3 . 1 1 63 63 LYS CB C 63 26.973 26.973 30.345 -3.372 25830 1394 1 3 . 1 1 63 63 LYS H H 63 8.584 8.584 8.473 0.111 25830 1395 1 3 . 1 1 64 64 LEU N N 64 118.672 118.672 120.194 -1.522 25830 1396 1 3 . 1 1 64 64 LEU HA H 64 3.625 3.625 4.049 -0.424 25830 1397 1 3 . 1 1 64 64 LEU C C 64 173.690 173.690 176.121 -2.431 25830 1398 1 3 . 1 1 64 64 LEU CA C 64 53.929 53.929 56.025 -2.096 25830 1399 1 3 . 1 1 64 64 LEU CB C 64 39.878 39.878 42.161 -2.283 25830 1400 1 3 . 1 1 64 64 LEU H H 64 7.116 7.116 7.478 -0.362 25830 1401 1 3 . 1 1 65 65 ASN N N 65 125.562 125.562 125.582 -0.020 25830 1402 1 3 . 1 1 65 65 ASN HA H 65 4.879 4.879 4.995 -0.116 25830 1403 1 3 . 1 1 65 65 ASN C C 65 174.338 174.338 175.688 -1.350 25830 1404 1 3 . 1 1 65 65 ASN CA C 65 48.862 48.862 51.981 -3.119 25830 1405 1 3 . 1 1 65 65 ASN CB C 65 34.238 34.238 39.973 -5.735 25830 1406 1 3 . 1 1 65 65 ASN H H 65 9.348 9.348 8.162 1.186 25830 1407 1 3 . 1 1 66 66 THR N N 66 118.448 118.448 118.981 -0.533 25830 1408 1 3 . 1 1 66 66 THR HA H 66 3.840 3.840 4.010 -0.170 25830 1409 1 3 . 1 1 66 66 THR C C 66 174.820 174.820 175.784 -0.964 25830 1410 1 3 . 1 1 66 66 THR CA C 66 62.576 62.576 65.506 -2.930 25830 1411 1 3 . 1 1 66 66 THR CB C 66 65.348 65.348 68.805 -3.457 25830 1412 1 3 . 1 1 66 66 THR H H 66 8.735 8.735 8.562 0.173 25830 1413 1 3 . 1 1 67 67 ASN N N 67 121.545 121.545 118.611 2.934 25830 1414 1 3 . 1 1 67 67 ASN HA H 67 4.460 4.460 4.455 0.005 25830 1415 1 3 . 1 1 67 67 ASN C C 67 174.825 174.825 177.306 -2.481 25830 1416 1 3 . 1 1 67 67 ASN CA C 67 53.781 53.781 56.269 -2.488 25830 1417 1 3 . 1 1 67 67 ASN CB C 67 35.495 35.495 38.436 -2.941 25830 1418 1 3 . 1 1 67 67 ASN H H 67 8.229 8.229 8.564 -0.335 25830 1419 1 3 . 1 1 68 68 ASN N N 68 122.399 122.399 118.098 4.301 25830 1420 1 3 . 1 1 68 68 ASN HA H 68 4.463 4.463 4.441 0.022 25830 1421 1 3 . 1 1 68 68 ASN C C 68 175.357 175.357 176.246 -0.889 25830 1422 1 3 . 1 1 68 68 ASN CA C 68 52.009 52.009 55.855 -3.846 25830 1423 1 3 . 1 1 68 68 ASN CB C 68 32.853 32.853 38.144 -5.291 25830 1424 1 3 . 1 1 68 68 ASN H H 68 7.153 7.153 7.959 -0.806 25830 1425 1 3 . 1 1 69 69 ALA N N 69 123.588 123.588 119.381 4.207 25830 1426 1 3 . 1 1 69 69 ALA HA H 69 3.930 3.930 4.135 -0.205 25830 1427 1 3 . 1 1 69 69 ALA C C 69 175.919 175.919 178.237 -2.318 25830 1428 1 3 . 1 1 69 69 ALA CA C 69 53.087 53.087 54.409 -1.322 25830 1429 1 3 . 1 1 69 69 ALA CB C 69 14.867 14.867 18.474 -3.607 25830 1430 1 3 . 1 1 69 69 ALA H H 69 7.942 7.942 7.437 0.505 25830 1431 1 3 . 1 1 70 70 ALA N N 70 117.736 117.736 119.266 -1.530 25830 1432 1 3 . 1 1 70 70 ALA HA H 70 4.250 4.250 4.229 0.021 25830 1433 1 3 . 1 1 70 70 ALA C C 70 176.704 176.704 178.633 -1.929 25830 1434 1 3 . 1 1 70 70 ALA CA C 70 51.706 51.706 54.348 -2.642 25830 1435 1 3 . 1 1 70 70 ALA CB C 70 15.507 15.507 19.094 -3.587 25830 1436 1 3 . 1 1 70 70 ALA H H 70 7.574 7.574 7.376 0.198 25830 1437 1 3 . 1 1 71 71 ALA N N 71 117.858 117.858 120.788 -2.930 25830 1438 1 3 . 1 1 71 71 ALA HA H 71 4.321 4.321 4.434 -0.113 25830 1439 1 3 . 1 1 71 71 ALA C C 71 175.190 175.190 179.239 -4.049 25830 1440 1 3 . 1 1 71 71 ALA CA C 71 50.142 50.142 53.725 -3.583 25830 1441 1 3 . 1 1 71 71 ALA CB C 71 16.908 16.908 18.424 -1.516 25830 1442 1 3 . 1 1 71 71 ALA H H 71 7.676 7.676 7.477 0.199 25830 1443 1 3 . 1 1 72 72 LEU N N 72 117.566 117.566 122.361 -4.795 25830 1444 1 3 . 1 1 72 72 LEU HA H 72 4.097 4.097 3.906 0.191 25830 1445 1 3 . 1 1 72 72 LEU C C 72 170.406 170.406 175.308 -4.902 25830 1446 1 3 . 1 1 72 72 LEU CA C 72 57.688 57.688 59.535 -1.847 25830 1447 1 3 . 1 1 72 72 LEU CB C 72 36.632 36.632 39.644 -3.012 25830 1448 1 3 . 1 1 72 72 LEU H H 72 7.494 7.494 7.840 -0.346 25830 1449 1 3 . 1 1 73 73 PRO HA H 73 3.793 3.793 4.289 -0.496 25830 1450 1 3 . 1 1 73 73 PRO C C 73 176.416 176.416 179.316 -2.900 25830 1451 1 3 . 1 1 73 73 PRO CA C 73 64.431 64.431 65.829 -1.399 25830 1452 1 3 . 1 1 73 73 PRO CB C 73 27.928 27.928 30.794 -2.866 25830 1453 1 3 . 1 1 74 74 GLY N N 74 106.170 106.170 107.621 -1.451 25830 1454 1 3 . 1 1 74 74 GLY C C 74 176.081 176.081 176.356 -0.275 25830 1455 1 3 . 1 1 74 74 GLY CA C 74 44.577 44.577 47.238 -2.661 25830 1456 1 3 . 1 1 74 74 GLY H H 74 8.374 8.374 7.908 0.466 25830 1457 1 3 . 1 1 75 75 LYS N N 75 121.379 121.379 119.579 1.800 25830 1458 1 3 . 1 1 75 75 LYS HA H 75 4.162 4.162 4.178 -0.016 25830 1459 1 3 . 1 1 75 75 LYS C C 75 175.735 175.735 178.379 -2.644 25830 1460 1 3 . 1 1 75 75 LYS CA C 75 56.053 56.053 57.990 -1.937 25830 1461 1 3 . 1 1 75 75 LYS CB C 75 30.087 30.087 32.059 -1.972 25830 1462 1 3 . 1 1 75 75 LYS H H 75 8.417 8.417 8.179 0.238 25830 1463 1 3 . 1 1 76 76 CYS N N 76 115.021 115.021 116.841 -1.820 25830 1464 1 3 . 1 1 76 76 CYS HA H 76 4.895 4.895 4.414 0.481 25830 1465 1 3 . 1 1 76 76 CYS C C 76 172.300 172.300 175.308 -3.008 25830 1466 1 3 . 1 1 76 76 CYS CA C 76 49.730 49.730 60.007 -10.277 25830 1467 1 3 . 1 1 76 76 CYS CB C 76 32.817 32.817 27.574 5.243 25830 1468 1 3 . 1 1 76 76 CYS H H 76 7.756 7.756 7.595 0.161 25830 1469 1 3 . 1 1 77 77 GLY N N 77 109.352 109.352 107.492 1.860 25830 1470 1 3 . 1 1 77 77 GLY C C 77 171.753 171.753 174.175 -2.422 25830 1471 1 3 . 1 1 77 77 GLY CA C 77 43.794 43.794 45.154 -1.360 25830 1472 1 3 . 1 1 77 77 GLY H H 77 7.894 7.894 8.003 -0.109 25830 1473 1 3 . 1 1 78 78 VAL N N 78 115.528 115.528 116.264 -0.736 25830 1474 1 3 . 1 1 78 78 VAL HA H 78 4.491 4.491 4.453 0.038 25830 1475 1 3 . 1 1 78 78 VAL C C 78 171.256 171.256 174.857 -3.601 25830 1476 1 3 . 1 1 78 78 VAL CA C 78 56.800 56.800 60.831 -4.031 25830 1477 1 3 . 1 1 78 78 VAL CB C 78 31.741 31.741 32.841 -1.100 25830 1478 1 3 . 1 1 78 78 VAL H H 78 8.137 8.137 7.455 0.682 25830 1479 1 3 . 1 1 79 79 SER N N 79 116.418 116.418 121.070 -4.652 25830 1480 1 3 . 1 1 79 79 SER HA H 79 4.583 4.583 4.686 -0.103 25830 1481 1 3 . 1 1 79 79 SER C C 79 170.681 170.681 173.711 -3.030 25830 1482 1 3 . 1 1 79 79 SER CA C 79 54.258 54.258 57.181 -2.924 25830 1483 1 3 . 1 1 79 79 SER CB C 79 61.468 61.468 63.574 -2.106 25830 1484 1 3 . 1 1 79 79 SER H H 79 8.124 8.124 8.341 -0.217 25830 1485 1 3 . 1 1 80 80 ILE N N 80 120.257 120.257 123.991 -3.734 25830 1486 1 3 . 1 1 80 80 ILE HA H 80 4.639 4.639 4.518 0.121 25830 1487 1 3 . 1 1 80 80 ILE C C 80 172.830 172.830 174.539 -1.709 25830 1488 1 3 . 1 1 80 80 ILE CA C 80 55.333 55.333 57.367 -2.034 25830 1489 1 3 . 1 1 80 80 ILE CB C 80 38.093 38.093 36.884 1.209 25830 1490 1 3 . 1 1 80 80 ILE H H 80 8.089 8.089 8.334 -0.245 25830 1491 1 3 . 1 1 81 81 PRO HA H 81 4.547 4.547 4.409 0.138 25830 1492 1 3 . 1 1 81 81 PRO C C 81 171.325 171.325 175.581 -4.256 25830 1493 1 3 . 1 1 81 81 PRO CA C 81 60.903 60.903 63.882 -2.978 25830 1494 1 3 . 1 1 81 81 PRO CB C 81 27.693 27.693 32.359 -4.666 25830 1495 1 3 . 1 1 82 82 TYR N N 82 115.259 115.259 114.869 0.390 25830 1496 1 3 . 1 1 82 82 TYR HA H 82 4.732 4.732 4.806 -0.074 25830 1497 1 3 . 1 1 82 82 TYR C C 82 170.187 170.187 174.208 -4.021 25830 1498 1 3 . 1 1 82 82 TYR CA C 82 51.930 51.930 55.111 -3.181 25830 1499 1 3 . 1 1 82 82 TYR CB C 82 37.275 37.275 39.473 -2.198 25830 1500 1 3 . 1 1 82 82 TYR H H 82 6.642 6.642 7.070 -0.428 25830 1501 1 3 . 1 1 83 83 LYS N N 83 116.992 116.992 121.724 -4.732 25830 1502 1 3 . 1 1 83 83 LYS HA H 83 4.464 4.464 4.477 -0.013 25830 1503 1 3 . 1 1 83 83 LYS C C 83 174.342 174.342 176.218 -1.876 25830 1504 1 3 . 1 1 83 83 LYS CA C 83 51.653 51.653 55.695 -4.042 25830 1505 1 3 . 1 1 83 83 LYS CB C 83 31.513 31.513 33.657 -2.144 25830 1506 1 3 . 1 1 83 83 LYS H H 83 8.301 8.301 8.420 -0.119 25830 1507 1 3 . 1 1 84 84 ILE N N 84 126.906 126.906 123.397 3.509 25830 1508 1 3 . 1 1 84 84 ILE HA H 84 3.913 3.913 4.246 -0.333 25830 1509 1 3 . 1 1 84 84 ILE C C 84 170.945 170.945 175.043 -4.098 25830 1510 1 3 . 1 1 84 84 ILE CA C 84 59.761 59.761 61.039 -1.278 25830 1511 1 3 . 1 1 84 84 ILE CB C 84 33.534 33.534 37.190 -3.656 25830 1512 1 3 . 1 1 84 84 ILE H H 84 9.304 9.304 8.420 0.884 25830 1513 1 3 . 1 1 85 85 SER N N 85 120.246 120.246 119.856 0.390 25830 1514 1 3 . 1 1 85 85 SER HA H 85 4.563 4.563 4.855 -0.292 25830 1515 1 3 . 1 1 85 85 SER C C 85 171.695 171.695 174.718 -3.023 25830 1516 1 3 . 1 1 85 85 SER CA C 85 53.394 53.394 57.179 -3.785 25830 1517 1 3 . 1 1 85 85 SER CB C 85 61.638 61.638 66.279 -4.641 25830 1518 1 3 . 1 1 85 85 SER H H 85 7.256 7.256 7.705 -0.449 25830 1519 1 3 . 1 1 86 86 THR N N 86 115.458 115.458 113.434 2.024 25830 1520 1 3 . 1 1 86 86 THR HA H 86 4.147 4.147 4.077 0.070 25830 1521 1 3 . 1 1 86 86 THR C C 86 172.663 172.663 175.769 -3.106 25830 1522 1 3 . 1 1 86 86 THR CA C 86 61.527 61.527 64.382 -2.855 25830 1523 1 3 . 1 1 86 86 THR CB C 86 65.858 65.858 68.947 -3.089 25830 1524 1 3 . 1 1 86 86 THR H H 86 8.819 8.819 8.565 0.254 25830 1525 1 3 . 1 1 87 87 SER N N 87 114.029 114.029 115.405 -1.376 25830 1526 1 3 . 1 1 87 87 SER HA H 87 4.524 4.524 4.424 0.100 25830 1527 1 3 . 1 1 87 87 SER C C 87 172.010 172.010 174.788 -2.778 25830 1528 1 3 . 1 1 87 87 SER CA C 87 55.408 55.408 58.725 -3.317 25830 1529 1 3 . 1 1 87 87 SER CB C 87 61.144 61.144 63.295 -2.151 25830 1530 1 3 . 1 1 87 87 SER H H 87 8.239 8.239 8.234 0.005 25830 1531 1 3 . 1 1 88 88 THR N N 88 120.831 120.831 120.125 0.706 25830 1532 1 3 . 1 1 88 88 THR HA H 88 3.808 3.808 4.279 -0.471 25830 1533 1 3 . 1 1 88 88 THR C C 88 181.273 181.273 173.950 7.323 25830 1534 1 3 . 1 1 88 88 THR CA C 88 61.409 61.409 62.961 -1.552 25830 1535 1 3 . 1 1 88 88 THR CB C 88 67.556 67.556 69.541 -1.986 25830 1536 1 3 . 1 1 88 88 THR H H 88 7.142 7.142 7.281 -0.139 25830 1537 1 3 . 1 1 89 89 ASN N N 89 124.818 124.818 124.721 0.097 25830 1538 1 3 . 1 1 89 89 ASN HA H 89 4.819 4.819 4.741 0.078 25830 1539 1 3 . 1 1 89 89 ASN C C 89 173.325 173.325 175.639 -2.314 25830 1540 1 3 . 1 1 89 89 ASN CA C 89 48.483 48.483 52.986 -4.503 25830 1541 1 3 . 1 1 89 89 ASN CB C 89 34.958 34.958 38.475 -3.517 25830 1542 1 3 . 1 1 89 89 ASN H H 89 8.754 8.754 8.724 0.030 25830 1543 1 3 . 1 1 90 90 CYS N N 90 123.361 123.361 123.702 -0.341 25830 1544 1 3 . 1 1 90 90 CYS HA H 90 4.174 4.174 4.180 -0.006 25830 1545 1 3 . 1 1 90 90 CYS C C 90 172.573 172.573 175.683 -3.110 25830 1546 1 3 . 1 1 90 90 CYS CA C 90 54.158 54.158 60.388 -6.230 25830 1547 1 3 . 1 1 90 90 CYS CB C 90 36.687 36.687 26.158 10.529 25830 1548 1 3 . 1 1 90 90 CYS H H 90 8.790 8.790 8.149 0.641 25830 1549 1 3 . 1 1 91 91 ASN N N 91 115.199 115.199 116.013 -0.814 25830 1550 1 3 . 1 1 91 91 ASN HA H 91 4.578 4.578 4.504 0.074 25830 1551 1 3 . 1 1 91 91 ASN C C 91 173.584 173.584 176.246 -2.662 25830 1552 1 3 . 1 1 91 91 ASN CA C 91 52.264 52.264 54.359 -2.095 25830 1553 1 3 . 1 1 91 91 ASN CB C 91 35.690 35.690 38.239 -2.549 25830 1554 1 3 . 1 1 91 91 ASN H H 91 8.320 8.320 8.604 -0.284 25830 1555 1 3 . 1 1 92 92 THR N N 92 107.497 107.497 111.098 -3.601 25830 1556 1 3 . 1 1 92 92 THR HA H 92 4.388 4.388 4.257 0.131 25830 1557 1 3 . 1 1 92 92 THR C C 92 171.702 171.702 175.103 -3.401 25830 1558 1 3 . 1 1 92 92 THR CA C 92 58.280 58.280 62.799 -4.519 25830 1559 1 3 . 1 1 92 92 THR CB C 92 66.107 66.107 69.205 -3.098 25830 1560 1 3 . 1 1 92 92 THR H H 92 7.338 7.338 7.561 -0.223 25830 1561 1 3 . 1 1 93 93 VAL N N 93 123.151 123.151 122.948 0.203 25830 1562 1 3 . 1 1 93 93 VAL HA H 93 3.667 3.667 4.063 -0.396 25830 1563 1 3 . 1 1 93 93 VAL C C 93 172.207 172.207 175.560 -3.353 25830 1564 1 3 . 1 1 93 93 VAL CA C 93 59.846 59.846 62.514 -2.668 25830 1565 1 3 . 1 1 93 93 VAL CB C 93 29.999 29.999 32.107 -2.108 25830 1566 1 3 . 1 1 93 93 VAL H H 93 6.806 6.806 7.359 -0.553 25830 1567 1 3 . 1 1 94 94 ARG N N 94 127.129 127.129 124.790 2.339 25830 1568 1 3 . 1 1 94 94 ARG HA H 94 4.339 4.339 4.285 0.055 25830 1569 1 3 . 1 1 94 94 ARG C C 94 171.859 171.859 175.041 -3.182 25830 1570 1 3 . 1 1 94 94 ARG CA C 94 52.395 52.395 55.529 -3.134 25830 1571 1 3 . 1 1 94 94 ARG CB C 94 26.973 26.973 29.923 -2.950 25830 1572 1 3 . 1 1 94 94 ARG H H 94 8.201 8.201 8.608 -0.407 25830 1573 1 4 . 1 1 2 2 LEU N N 2 123.438 123.438 122.183 1.255 25830 1574 1 4 . 1 1 2 2 LEU HA H 2 4.344 4.344 4.635 -0.291 25830 1575 1 4 . 1 1 2 2 LEU C C 2 172.388 172.388 176.020 -3.632 25830 1576 1 4 . 1 1 2 2 LEU CA C 2 52.560 52.560 54.910 -2.350 25830 1577 1 4 . 1 1 2 2 LEU CB C 2 40.603 40.603 42.446 -1.843 25830 1578 1 4 . 1 1 2 2 LEU H H 2 8.368 8.368 8.579 -0.211 25830 1579 1 4 . 1 1 3 3 SER N N 3 119.868 119.868 119.090 0.778 25830 1580 1 4 . 1 1 3 3 SER HA H 3 4.748 4.748 4.706 0.042 25830 1581 1 4 . 1 1 3 3 SER C C 3 173.163 173.163 175.549 -2.386 25830 1582 1 4 . 1 1 3 3 SER CA C 3 53.523 53.523 57.244 -3.721 25830 1583 1 4 . 1 1 3 3 SER CB C 3 62.412 62.412 65.644 -3.232 25830 1584 1 4 . 1 1 3 3 SER H H 3 8.550 8.550 8.246 0.304 25830 1585 1 4 . 1 1 4 4 CYS N N 4 120.408 120.408 126.690 -6.282 25830 1586 1 4 . 1 1 4 4 CYS HA H 4 4.586 4.586 4.330 0.256 25830 1587 1 4 . 1 1 4 4 CYS C C 4 175.067 175.067 177.041 -1.974 25830 1588 1 4 . 1 1 4 4 CYS CA C 4 52.166 52.166 61.042 -8.876 25830 1589 1 4 . 1 1 4 4 CYS CB C 4 30.372 30.372 26.799 3.574 25830 1590 1 4 . 1 1 4 4 CYS H H 4 9.222 9.222 9.051 0.171 25830 1591 1 4 . 1 1 5 5 GLY N N 5 110.663 110.663 106.894 3.769 25830 1592 1 4 . 1 1 5 5 GLY C C 5 174.023 174.023 175.349 -1.326 25830 1593 1 4 . 1 1 5 5 GLY CA C 5 44.577 44.577 47.418 -2.841 25830 1594 1 4 . 1 1 5 5 GLY H H 5 8.721 8.721 7.993 0.728 25830 1595 1 4 . 1 1 6 6 THR N N 6 118.884 118.884 115.357 3.527 25830 1596 1 4 . 1 1 6 6 THR HA H 6 4.031 4.031 4.521 -0.490 25830 1597 1 4 . 1 1 6 6 THR C C 6 172.782 172.782 176.508 -3.726 25830 1598 1 4 . 1 1 6 6 THR CA C 6 62.801 62.801 63.194 -0.393 25830 1599 1 4 . 1 1 6 6 THR CB C 6 65.896 65.896 69.645 -3.749 25830 1600 1 4 . 1 1 6 6 THR H H 6 7.676 7.676 7.717 -0.041 25830 1601 1 4 . 1 1 7 7 VAL N N 7 120.789 120.789 124.463 -3.674 25830 1602 1 4 . 1 1 7 7 VAL HA H 7 3.607 3.607 3.806 -0.199 25830 1603 1 4 . 1 1 7 7 VAL C C 7 174.356 174.356 177.945 -3.589 25830 1604 1 4 . 1 1 7 7 VAL CA C 7 63.774 63.774 66.790 -3.016 25830 1605 1 4 . 1 1 7 7 VAL CB C 7 28.610 28.610 31.540 -2.930 25830 1606 1 4 . 1 1 7 7 VAL H H 7 7.280 7.280 7.804 -0.524 25830 1607 1 4 . 1 1 8 8 SER N N 8 114.047 114.047 115.376 -1.329 25830 1608 1 4 . 1 1 8 8 SER HA H 8 3.858 3.858 4.113 -0.255 25830 1609 1 4 . 1 1 8 8 SER C C 8 173.948 173.948 175.855 -1.907 25830 1610 1 4 . 1 1 8 8 SER CA C 8 59.791 59.791 61.725 -1.935 25830 1611 1 4 . 1 1 8 8 SER CB C 8 59.242 59.242 63.051 -3.809 25830 1612 1 4 . 1 1 8 8 SER H H 8 8.501 8.501 8.149 0.352 25830 1613 1 4 . 1 1 9 9 ALA N N 9 123.669 123.669 122.640 1.029 25830 1614 1 4 . 1 1 9 9 ALA HA H 9 4.165 4.165 4.191 -0.026 25830 1615 1 4 . 1 1 9 9 ALA C C 9 177.740 177.740 178.743 -1.003 25830 1616 1 4 . 1 1 9 9 ALA CA C 9 52.218 52.218 54.366 -2.148 25830 1617 1 4 . 1 1 9 9 ALA CB C 9 15.348 15.348 18.308 -2.960 25830 1618 1 4 . 1 1 9 9 ALA H H 9 7.685 7.685 7.450 0.235 25830 1619 1 4 . 1 1 10 10 ASP N N 10 118.653 118.653 117.704 0.949 25830 1620 1 4 . 1 1 10 10 ASP HA H 10 4.414 4.414 4.626 -0.212 25830 1621 1 4 . 1 1 10 10 ASP C C 10 173.327 173.327 177.396 -4.069 25830 1622 1 4 . 1 1 10 10 ASP CA C 10 53.357 53.357 55.875 -2.518 25830 1623 1 4 . 1 1 10 10 ASP CB C 10 35.579 35.579 40.987 -5.409 25830 1624 1 4 . 1 1 10 10 ASP H H 10 8.161 8.161 8.168 -0.007 25830 1625 1 4 . 1 1 11 11 LEU N N 11 115.104 115.104 119.281 -4.177 25830 1626 1 4 . 1 1 11 11 LEU HA H 11 4.183 4.183 4.368 -0.185 25830 1627 1 4 . 1 1 11 11 LEU C C 11 175.206 175.206 179.386 -4.180 25830 1628 1 4 . 1 1 11 11 LEU CA C 11 51.360 51.360 55.314 -3.954 25830 1629 1 4 . 1 1 11 11 LEU CB C 11 40.185 40.185 41.305 -1.120 25830 1630 1 4 . 1 1 11 11 LEU H H 11 7.731 7.731 7.616 0.115 25830 1631 1 4 . 1 1 12 12 ALA N N 12 124.133 124.133 123.948 0.185 25830 1632 1 4 . 1 1 12 12 ALA HA H 12 4.309 4.309 4.108 0.201 25830 1633 1 4 . 1 1 12 12 ALA C C 12 174.540 174.540 176.867 -2.327 25830 1634 1 4 . 1 1 12 12 ALA CA C 12 54.075 54.075 56.844 -2.769 25830 1635 1 4 . 1 1 12 12 ALA CB C 12 13.256 13.256 16.181 -2.925 25830 1636 1 4 . 1 1 12 12 ALA H H 12 7.481 7.481 7.900 -0.419 25830 1637 1 4 . 1 1 13 13 PRO HA H 13 4.674 4.674 4.461 0.213 25830 1638 1 4 . 1 1 13 13 PRO C C 13 174.824 174.824 176.445 -1.621 25830 1639 1 4 . 1 1 13 13 PRO CA C 13 61.982 61.982 64.368 -2.386 25830 1640 1 4 . 1 1 13 13 PRO CB C 13 28.804 28.804 31.335 -2.531 25830 1641 1 4 . 1 1 14 14 CYS N N 14 114.225 114.225 117.052 -2.827 25830 1642 1 4 . 1 1 14 14 CYS HA H 14 4.722 4.722 4.815 -0.093 25830 1643 1 4 . 1 1 14 14 CYS C C 14 172.376 172.376 176.484 -4.108 25830 1644 1 4 . 1 1 14 14 CYS CA C 14 51.481 51.481 59.099 -7.618 25830 1645 1 4 . 1 1 14 14 CYS CB C 14 39.508 39.508 27.585 11.923 25830 1646 1 4 . 1 1 14 14 CYS H H 14 8.938 8.938 7.648 1.290 25830 1647 1 4 . 1 1 15 15 VAL N N 15 122.488 122.488 122.809 -0.321 25830 1648 1 4 . 1 1 15 15 VAL HA H 15 3.350 3.350 3.578 -0.228 25830 1649 1 4 . 1 1 15 15 VAL C C 15 173.644 173.644 177.384 -3.740 25830 1650 1 4 . 1 1 15 15 VAL CA C 15 66.608 66.608 67.404 -0.796 25830 1651 1 4 . 1 1 15 15 VAL CB C 15 28.692 28.692 31.802 -3.110 25830 1652 1 4 . 1 1 15 15 VAL H H 15 7.767 7.767 7.794 -0.027 25830 1653 1 4 . 1 1 16 16 THR N N 16 112.169 112.169 114.209 -2.040 25830 1654 1 4 . 1 1 16 16 THR HA H 16 4.012 4.012 3.951 0.061 25830 1655 1 4 . 1 1 16 16 THR C C 16 175.021 175.021 176.203 -1.182 25830 1656 1 4 . 1 1 16 16 THR CA C 16 63.879 63.879 66.244 -2.365 25830 1657 1 4 . 1 1 16 16 THR CB C 16 65.364 65.364 68.779 -3.415 25830 1658 1 4 . 1 1 16 16 THR H H 16 8.258 8.258 8.301 -0.043 25830 1659 1 4 . 1 1 17 17 TYR N N 17 124.563 124.563 121.864 2.699 25830 1660 1 4 . 1 1 17 17 TYR HA H 17 4.265 4.265 4.320 -0.055 25830 1661 1 4 . 1 1 17 17 TYR C C 17 174.326 174.326 178.094 -3.768 25830 1662 1 4 . 1 1 17 17 TYR CA C 17 58.001 58.001 60.205 -2.204 25830 1663 1 4 . 1 1 17 17 TYR CB C 17 35.252 35.252 38.100 -2.848 25830 1664 1 4 . 1 1 17 17 TYR H H 17 8.280 8.280 8.189 0.091 25830 1665 1 4 . 1 1 18 18 LEU N N 18 119.213 119.213 119.304 -0.091 25830 1666 1 4 . 1 1 18 18 LEU HA H 18 3.630 3.630 3.643 -0.013 25830 1667 1 4 . 1 1 18 18 LEU C C 18 172.858 172.858 178.638 -5.780 25830 1668 1 4 . 1 1 18 18 LEU CA C 18 54.171 54.171 57.386 -3.215 25830 1669 1 4 . 1 1 18 18 LEU CB C 18 38.310 38.310 41.509 -3.199 25830 1670 1 4 . 1 1 18 18 LEU H H 18 8.394 8.394 8.105 0.289 25830 1671 1 4 . 1 1 19 19 GLN N N 19 114.782 114.782 114.467 0.315 25830 1672 1 4 . 1 1 19 19 GLN HA H 19 4.582 4.582 4.331 0.251 25830 1673 1 4 . 1 1 19 19 GLN C C 19 172.754 172.754 175.729 -2.975 25830 1674 1 4 . 1 1 19 19 GLN CA C 19 52.320 52.320 55.675 -3.355 25830 1675 1 4 . 1 1 19 19 GLN CB C 19 27.954 27.954 29.702 -1.748 25830 1676 1 4 . 1 1 19 19 GLN H H 19 7.319 7.319 7.516 -0.197 25830 1677 1 4 . 1 1 20 20 ALA N N 20 126.473 126.473 123.293 3.180 25830 1678 1 4 . 1 1 20 20 ALA HA H 20 4.494 4.494 4.588 -0.094 25830 1679 1 4 . 1 1 20 20 ALA C C 20 171.072 171.072 175.242 -4.170 25830 1680 1 4 . 1 1 20 20 ALA CA C 20 48.862 48.862 49.980 -1.118 25830 1681 1 4 . 1 1 20 20 ALA CB C 20 15.610 15.610 18.663 -3.053 25830 1682 1 4 . 1 1 20 20 ALA H H 20 7.292 7.292 7.399 -0.107 25830 1683 1 4 . 1 1 21 21 PRO HA H 21 4.440 4.440 4.450 -0.010 25830 1684 1 4 . 1 1 21 21 PRO C C 21 174.052 174.052 177.160 -3.108 25830 1685 1 4 . 1 1 21 21 PRO CA C 21 59.522 59.522 61.895 -2.373 25830 1686 1 4 . 1 1 21 21 PRO CB C 21 29.853 29.853 32.459 -2.606 25830 1687 1 4 . 1 1 22 22 ASN N N 22 117.448 117.448 117.911 -0.463 25830 1688 1 4 . 1 1 22 22 ASN HA H 22 4.754 4.754 4.612 0.142 25830 1689 1 4 . 1 1 22 22 ASN C C 22 173.299 173.299 175.824 -2.525 25830 1690 1 4 . 1 1 22 22 ASN CA C 22 51.478 51.478 55.370 -3.892 25830 1691 1 4 . 1 1 22 22 ASN CB C 22 35.291 35.291 38.118 -2.827 25830 1692 1 4 . 1 1 22 22 ASN H H 22 8.466 8.466 8.784 -0.318 25830 1693 1 4 . 1 1 23 23 ASN N N 23 113.171 113.171 116.000 -2.829 25830 1694 1 4 . 1 1 23 23 ASN HA H 23 4.555 4.555 4.633 -0.078 25830 1695 1 4 . 1 1 23 23 ASN C C 23 172.210 172.210 175.261 -3.051 25830 1696 1 4 . 1 1 23 23 ASN CA C 23 50.626 50.626 53.547 -2.921 25830 1697 1 4 . 1 1 23 23 ASN CB C 23 34.278 34.278 38.332 -4.054 25830 1698 1 4 . 1 1 23 23 ASN H H 23 8.187 8.187 8.190 -0.003 25830 1699 1 4 . 1 1 24 24 ALA N N 24 122.578 122.578 122.232 0.346 25830 1700 1 4 . 1 1 24 24 ALA HA H 24 4.394 4.394 4.485 -0.091 25830 1701 1 4 . 1 1 24 24 ALA C C 24 173.708 173.708 176.452 -2.744 25830 1702 1 4 . 1 1 24 24 ALA CA C 24 49.696 49.696 52.076 -2.380 25830 1703 1 4 . 1 1 24 24 ALA CB C 24 18.288 18.288 19.950 -1.662 25830 1704 1 4 . 1 1 24 24 ALA H H 24 7.381 7.381 7.527 -0.146 25830 1705 1 4 . 1 1 25 25 SER N N 25 115.237 115.237 114.901 0.336 25830 1706 1 4 . 1 1 25 25 SER HA H 25 4.922 4.922 4.593 0.329 25830 1707 1 4 . 1 1 25 25 SER C C 25 181.107 181.107 172.224 8.883 25830 1708 1 4 . 1 1 25 25 SER CA C 25 53.033 53.033 55.754 -2.721 25830 1709 1 4 . 1 1 25 25 SER CB C 25 61.549 61.549 64.515 -2.966 25830 1710 1 4 . 1 1 25 25 SER H H 25 8.649 8.649 8.162 0.487 25830 1711 1 4 . 1 1 26 26 PRO HA H 26 4.014 4.014 4.280 -0.266 25830 1712 1 4 . 1 1 26 26 PRO CA C 26 57.292 57.292 60.906 -3.614 25830 1713 1 4 . 1 1 26 26 PRO CB C 26 27.450 27.450 30.843 -3.393 25830 1714 1 4 . 1 1 27 27 PRO HA H 27 4.881 4.881 4.769 0.112 25830 1715 1 4 . 1 1 27 27 PRO CA C 27 58.500 58.500 60.579 -2.079 25830 1716 1 4 . 1 1 27 27 PRO CB C 27 28.489 28.489 31.731 -3.242 25830 1717 1 4 . 1 1 28 28 PRO HA H 28 4.421 4.421 4.279 0.142 25830 1718 1 4 . 1 1 28 28 PRO CA C 28 64.505 64.505 66.493 -1.988 25830 1719 1 4 . 1 1 28 28 PRO CB C 28 26.217 26.217 29.751 -3.534 25830 1720 1 4 . 1 1 29 29 PRO HA H 29 4.477 4.477 4.291 0.186 25830 1721 1 4 . 1 1 29 29 PRO C C 29 177.330 177.330 178.691 -1.361 25830 1722 1 4 . 1 1 29 29 PRO CA C 29 62.883 62.883 65.503 -2.620 25830 1723 1 4 . 1 1 29 29 PRO CB C 29 28.301 28.301 31.210 -2.909 25830 1724 1 4 . 1 1 30 30 CYS N N 30 114.694 114.694 116.986 -2.292 25830 1725 1 4 . 1 1 30 30 CYS HA H 30 4.456 4.456 4.255 0.201 25830 1726 1 4 . 1 1 30 30 CYS C C 30 172.260 172.260 176.620 -4.360 25830 1727 1 4 . 1 1 30 30 CYS CA C 30 55.585 55.585 61.696 -6.111 25830 1728 1 4 . 1 1 30 30 CYS CB C 30 34.602 34.602 26.105 8.497 25830 1729 1 4 . 1 1 30 30 CYS H H 30 7.637 7.637 7.647 -0.010 25830 1730 1 4 . 1 1 31 31 CYS N N 31 116.335 116.335 120.145 -3.810 25830 1731 1 4 . 1 1 31 31 CYS HA H 31 4.607 4.607 4.125 0.482 25830 1732 1 4 . 1 1 31 31 CYS C C 31 174.401 174.401 177.074 -2.673 25830 1733 1 4 . 1 1 31 31 CYS CA C 31 51.858 51.858 62.413 -10.555 25830 1734 1 4 . 1 1 31 31 CYS CB C 31 29.979 29.979 25.571 4.408 25830 1735 1 4 . 1 1 31 31 CYS H H 31 7.083 7.083 7.799 -0.716 25830 1736 1 4 . 1 1 32 32 ALA N N 32 121.738 121.738 121.699 0.039 25830 1737 1 4 . 1 1 32 32 ALA HA H 32 4.070 4.070 3.974 0.096 25830 1738 1 4 . 1 1 32 32 ALA C C 32 177.730 177.730 179.434 -1.704 25830 1739 1 4 . 1 1 32 32 ALA CA C 32 52.557 52.557 55.226 -2.669 25830 1740 1 4 . 1 1 32 32 ALA CB C 32 15.204 15.204 17.963 -2.759 25830 1741 1 4 . 1 1 32 32 ALA H H 32 8.481 8.481 7.915 0.566 25830 1742 1 4 . 1 1 33 33 GLY N N 33 108.715 108.715 106.650 2.065 25830 1743 1 4 . 1 1 33 33 GLY C C 33 172.825 172.825 176.165 -3.340 25830 1744 1 4 . 1 1 33 33 GLY CA C 33 44.748 44.748 47.185 -2.438 25830 1745 1 4 . 1 1 33 33 GLY H H 33 7.683 7.683 7.884 -0.201 25830 1746 1 4 . 1 1 34 34 VAL N N 34 121.079 121.079 121.312 -0.233 25830 1747 1 4 . 1 1 34 34 VAL HA H 34 3.489 3.489 3.707 -0.218 25830 1748 1 4 . 1 1 34 34 VAL C C 34 174.764 174.764 178.520 -3.756 25830 1749 1 4 . 1 1 34 34 VAL CA C 34 63.930 63.930 66.198 -2.268 25830 1750 1 4 . 1 1 34 34 VAL CB C 34 29.037 29.037 31.633 -2.595 25830 1751 1 4 . 1 1 34 34 VAL H H 34 8.085 8.085 7.499 0.586 25830 1752 1 4 . 1 1 35 35 LYS N N 35 117.845 117.845 119.277 -1.432 25830 1753 1 4 . 1 1 35 35 LYS HA H 35 3.814 3.814 4.053 -0.239 25830 1754 1 4 . 1 1 35 35 LYS C C 35 176.677 176.677 178.806 -2.129 25830 1755 1 4 . 1 1 35 35 LYS CA C 35 57.849 57.849 59.219 -1.371 25830 1756 1 4 . 1 1 35 35 LYS CB C 35 29.635 29.635 31.900 -2.265 25830 1757 1 4 . 1 1 35 35 LYS H H 35 8.089 8.089 7.556 0.533 25830 1758 1 4 . 1 1 36 36 LYS N N 36 120.507 120.507 120.727 -0.220 25830 1759 1 4 . 1 1 36 36 LYS HA H 36 3.946 3.946 4.038 -0.092 25830 1760 1 4 . 1 1 36 36 LYS C C 36 176.481 176.481 178.225 -1.744 25830 1761 1 4 . 1 1 36 36 LYS CA C 36 56.889 56.889 58.821 -1.932 25830 1762 1 4 . 1 1 36 36 LYS CB C 36 29.999 29.999 32.235 -2.236 25830 1763 1 4 . 1 1 36 36 LYS H H 36 7.940 7.940 7.691 0.249 25830 1764 1 4 . 1 1 37 37 LEU N N 37 121.929 121.929 120.183 1.746 25830 1765 1 4 . 1 1 37 37 LEU HA H 37 4.012 4.012 3.893 0.119 25830 1766 1 4 . 1 1 37 37 LEU C C 37 175.490 175.490 178.428 -2.938 25830 1767 1 4 . 1 1 37 37 LEU CA C 37 55.567 55.567 57.499 -1.932 25830 1768 1 4 . 1 1 37 37 LEU CB C 37 38.621 38.621 41.776 -3.155 25830 1769 1 4 . 1 1 37 37 LEU H H 37 7.882 7.882 7.442 0.440 25830 1770 1 4 . 1 1 38 38 LEU N N 38 117.061 117.061 119.132 -2.071 25830 1771 1 4 . 1 1 38 38 LEU HA H 38 4.050 4.050 3.947 0.103 25830 1772 1 4 . 1 1 38 38 LEU C C 38 177.275 177.275 177.805 -0.530 25830 1773 1 4 . 1 1 38 38 LEU CA C 38 54.535 54.535 57.775 -3.240 25830 1774 1 4 . 1 1 38 38 LEU CB C 38 38.448 38.448 41.713 -3.265 25830 1775 1 4 . 1 1 38 38 LEU H H 38 7.812 7.812 7.874 -0.062 25830 1776 1 4 . 1 1 39 39 ALA N N 39 119.986 119.986 118.077 1.909 25830 1777 1 4 . 1 1 39 39 ALA HA H 39 4.105 4.105 4.243 -0.138 25830 1778 1 4 . 1 1 39 39 ALA C C 39 175.721 175.721 177.785 -2.064 25830 1779 1 4 . 1 1 39 39 ALA CA C 39 50.910 50.910 52.684 -1.774 25830 1780 1 4 . 1 1 39 39 ALA CB C 39 15.545 15.545 19.092 -3.547 25830 1781 1 4 . 1 1 39 39 ALA H H 39 7.914 7.914 7.672 0.242 25830 1782 1 4 . 1 1 40 40 ALA N N 40 118.015 118.015 121.849 -3.834 25830 1783 1 4 . 1 1 40 40 ALA HA H 40 4.266 4.266 4.233 0.033 25830 1784 1 4 . 1 1 40 40 ALA C C 40 174.416 174.416 177.816 -3.400 25830 1785 1 4 . 1 1 40 40 ALA CA C 40 49.886 49.886 52.099 -2.213 25830 1786 1 4 . 1 1 40 40 ALA CB C 40 16.330 16.330 19.822 -3.492 25830 1787 1 4 . 1 1 40 40 ALA H H 40 7.302 7.302 7.302 -0.000 25830 1788 1 4 . 1 1 41 41 ALA N N 41 122.389 122.389 121.156 1.233 25830 1789 1 4 . 1 1 41 41 ALA HA H 41 4.605 4.605 4.240 0.365 25830 1790 1 4 . 1 1 41 41 ALA C C 41 172.709 172.709 177.262 -4.553 25830 1791 1 4 . 1 1 41 41 ALA CA C 41 47.917 47.917 52.438 -4.521 25830 1792 1 4 . 1 1 41 41 ALA CB C 41 15.072 15.072 19.911 -4.839 25830 1793 1 4 . 1 1 41 41 ALA H H 41 7.304 7.304 7.905 -0.601 25830 1794 1 4 . 1 1 42 42 THR N N 42 113.142 113.142 111.779 1.363 25830 1795 1 4 . 1 1 42 42 THR HA H 42 4.422 4.422 4.353 0.069 25830 1796 1 4 . 1 1 42 42 THR C C 42 172.086 172.086 174.685 -2.599 25830 1797 1 4 . 1 1 42 42 THR CA C 42 59.772 59.772 62.474 -2.703 25830 1798 1 4 . 1 1 42 42 THR CB C 42 66.992 66.992 69.577 -2.585 25830 1799 1 4 . 1 1 42 42 THR H H 42 8.663 8.663 8.165 0.498 25830 1800 1 4 . 1 1 43 43 THR N N 43 111.501 111.501 110.651 0.850 25830 1801 1 4 . 1 1 43 43 THR HA H 43 4.704 4.704 4.588 0.116 25830 1802 1 4 . 1 1 43 43 THR C C 43 172.283 172.283 174.548 -2.265 25830 1803 1 4 . 1 1 43 43 THR CA C 43 56.869 56.869 59.154 -2.285 25830 1804 1 4 . 1 1 43 43 THR CB C 43 69.211 69.211 71.386 -2.175 25830 1805 1 4 . 1 1 43 43 THR H H 43 7.705 7.705 7.405 0.300 25830 1806 1 4 . 1 1 44 44 THR N N 44 119.157 119.157 115.311 3.846 25830 1807 1 4 . 1 1 44 44 THR HA H 44 3.861 3.861 4.269 -0.408 25830 1808 1 4 . 1 1 44 44 THR CA C 44 66.420 66.420 66.639 -0.219 25830 1809 1 4 . 1 1 44 44 THR CB C 44 63.702 63.702 66.943 -3.241 25830 1810 1 4 . 1 1 44 44 THR H H 44 9.305 9.305 8.449 0.856 25830 1811 1 4 . 1 1 45 45 PRO HA H 45 4.345 4.345 4.709 -0.364 25830 1812 1 4 . 1 1 45 45 PRO C C 45 177.238 177.238 178.314 -1.076 25830 1813 1 4 . 1 1 45 45 PRO CA C 45 63.192 63.192 65.297 -2.106 25830 1814 1 4 . 1 1 45 45 PRO CB C 45 28.232 28.232 31.559 -3.327 25830 1815 1 4 . 1 1 46 46 ASP N N 46 117.412 117.412 120.424 -3.012 25830 1816 1 4 . 1 1 46 46 ASP HA H 46 4.571 4.571 4.440 0.131 25830 1817 1 4 . 1 1 46 46 ASP C C 46 175.358 175.358 177.556 -2.198 25830 1818 1 4 . 1 1 46 46 ASP CA C 46 54.436 54.436 56.835 -2.399 25830 1819 1 4 . 1 1 46 46 ASP CB C 46 37.884 37.884 40.433 -2.549 25830 1820 1 4 . 1 1 46 46 ASP H H 46 7.238 7.238 8.204 -0.966 25830 1821 1 4 . 1 1 47 47 ARG N N 47 122.342 122.342 118.566 3.776 25830 1822 1 4 . 1 1 47 47 ARG HA H 47 3.754 3.754 4.087 -0.333 25830 1823 1 4 . 1 1 47 47 ARG C C 47 176.688 176.688 178.670 -1.982 25830 1824 1 4 . 1 1 47 47 ARG CA C 47 57.351 57.351 58.570 -1.219 25830 1825 1 4 . 1 1 47 47 ARG CB C 47 26.606 26.606 29.186 -2.580 25830 1826 1 4 . 1 1 47 47 ARG H H 47 8.383 8.383 7.551 0.832 25830 1827 1 4 . 1 1 48 48 GLN N N 48 120.813 120.813 119.209 1.604 25830 1828 1 4 . 1 1 48 48 GLN HA H 48 3.650 3.650 4.021 -0.371 25830 1829 1 4 . 1 1 48 48 GLN C C 48 175.354 175.354 177.422 -2.068 25830 1830 1 4 . 1 1 48 48 GLN CA C 48 56.742 56.742 58.712 -1.970 25830 1831 1 4 . 1 1 48 48 GLN CB C 48 25.406 25.406 28.569 -3.163 25830 1832 1 4 . 1 1 48 48 GLN H H 48 8.176 8.176 7.760 0.416 25830 1833 1 4 . 1 1 49 49 ALA N N 49 122.476 122.476 121.325 1.151 25830 1834 1 4 . 1 1 49 49 ALA HA H 49 4.224 4.224 3.988 0.236 25830 1835 1 4 . 1 1 49 49 ALA C C 49 177.581 177.581 179.026 -1.445 25830 1836 1 4 . 1 1 49 49 ALA CA C 49 52.410 52.410 54.717 -2.307 25830 1837 1 4 . 1 1 49 49 ALA CB C 49 15.305 15.305 18.052 -2.747 25830 1838 1 4 . 1 1 49 49 ALA H H 49 8.079 8.079 7.573 0.506 25830 1839 1 4 . 1 1 50 50 ALA N N 50 121.104 121.104 120.250 0.854 25830 1840 1 4 . 1 1 50 50 ALA HA H 50 3.686 3.686 3.923 -0.237 25830 1841 1 4 . 1 1 50 50 ALA C C 50 175.478 175.478 178.335 -2.857 25830 1842 1 4 . 1 1 50 50 ALA CA C 50 53.344 53.344 55.409 -2.065 25830 1843 1 4 . 1 1 50 50 ALA CB C 50 14.032 14.032 18.176 -4.144 25830 1844 1 4 . 1 1 50 50 ALA H H 50 8.494 8.494 7.610 0.884 25830 1845 1 4 . 1 1 51 51 CYS N N 51 117.063 117.063 115.368 1.695 25830 1846 1 4 . 1 1 51 51 CYS HA H 51 4.091 4.091 4.134 -0.043 25830 1847 1 4 . 1 1 51 51 CYS C C 51 173.692 173.692 176.140 -2.448 25830 1848 1 4 . 1 1 51 51 CYS CA C 51 57.660 57.660 60.323 -2.663 25830 1849 1 4 . 1 1 51 51 CYS CB C 51 34.278 34.278 25.233 9.045 25830 1850 1 4 . 1 1 51 51 CYS H H 51 7.466 7.466 7.954 -0.488 25830 1851 1 4 . 1 1 52 52 ASN N N 52 120.867 120.867 117.598 3.269 25830 1852 1 4 . 1 1 52 52 ASN HA H 52 4.403 4.403 4.584 -0.181 25830 1853 1 4 . 1 1 52 52 ASN C C 52 176.290 176.290 176.922 -0.632 25830 1854 1 4 . 1 1 52 52 ASN CA C 52 54.177 54.177 55.880 -1.704 25830 1855 1 4 . 1 1 52 52 ASN CB C 52 36.302 36.302 38.294 -1.992 25830 1856 1 4 . 1 1 52 52 ASN H H 52 8.164 8.164 7.350 0.814 25830 1857 1 4 . 1 1 53 53 CYS N N 53 119.542 119.542 121.351 -1.809 25830 1858 1 4 . 1 1 53 53 CYS HA H 53 4.543 4.543 4.226 0.317 25830 1859 1 4 . 1 1 53 53 CYS C C 53 175.294 175.294 176.842 -1.548 25830 1860 1 4 . 1 1 53 53 CYS CA C 53 53.637 53.637 61.728 -8.091 25830 1861 1 4 . 1 1 53 53 CYS CB C 53 34.302 34.302 26.095 8.207 25830 1862 1 4 . 1 1 53 53 CYS H H 53 8.974 8.974 7.807 1.167 25830 1863 1 4 . 1 1 54 54 LEU N N 54 124.510 124.510 118.529 5.981 25830 1864 1 4 . 1 1 54 54 LEU HA H 54 3.964 3.964 3.982 -0.018 25830 1865 1 4 . 1 1 54 54 LEU C C 54 175.082 175.082 179.134 -4.052 25830 1866 1 4 . 1 1 54 54 LEU CA C 54 55.725 55.725 58.187 -2.462 25830 1867 1 4 . 1 1 54 54 LEU CB C 54 39.035 39.035 40.912 -1.877 25830 1868 1 4 . 1 1 54 54 LEU H H 54 8.794 8.794 7.985 0.809 25830 1869 1 4 . 1 1 55 55 LYS N N 55 120.615 120.615 119.089 1.526 25830 1870 1 4 . 1 1 55 55 LYS HA H 55 3.929 3.929 4.055 -0.126 25830 1871 1 4 . 1 1 55 55 LYS C C 55 176.860 176.860 178.810 -1.950 25830 1872 1 4 . 1 1 55 55 LYS CA C 55 57.089 57.089 59.400 -2.311 25830 1873 1 4 . 1 1 55 55 LYS CB C 55 30.420 30.420 32.197 -1.777 25830 1874 1 4 . 1 1 55 55 LYS H H 55 8.119 8.119 7.497 0.622 25830 1875 1 4 . 1 1 56 56 SER N N 56 113.653 113.653 115.218 -1.565 25830 1876 1 4 . 1 1 56 56 SER HA H 56 4.202 4.202 4.275 -0.073 25830 1877 1 4 . 1 1 56 56 SER C C 56 175.009 175.009 176.881 -1.872 25830 1878 1 4 . 1 1 56 56 SER CA C 56 58.397 58.397 60.991 -2.594 25830 1879 1 4 . 1 1 56 56 SER CB C 56 60.063 60.063 63.036 -2.973 25830 1880 1 4 . 1 1 56 56 SER H H 56 7.746 7.746 7.610 0.136 25830 1881 1 4 . 1 1 57 57 ALA N N 57 125.184 125.184 122.783 2.401 25830 1882 1 4 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.070 0.003 25830 1883 1 4 . 1 1 57 57 ALA C C 57 177.735 177.735 179.440 -1.705 25830 1884 1 4 . 1 1 57 57 ALA CA C 57 52.222 52.222 54.643 -2.421 25830 1885 1 4 . 1 1 57 57 ALA CB C 57 14.710 14.710 18.220 -3.510 25830 1886 1 4 . 1 1 57 57 ALA H H 57 8.370 8.370 8.117 0.253 25830 1887 1 4 . 1 1 58 58 ALA N N 58 119.288 119.288 120.800 -1.512 25830 1888 1 4 . 1 1 58 58 ALA HA H 58 3.873 3.873 4.199 -0.326 25830 1889 1 4 . 1 1 58 58 ALA C C 58 176.201 176.201 179.527 -3.326 25830 1890 1 4 . 1 1 58 58 ALA CA C 58 52.154 52.154 54.377 -2.223 25830 1891 1 4 . 1 1 58 58 ALA CB C 58 13.944 13.944 18.610 -4.666 25830 1892 1 4 . 1 1 58 58 ALA H H 58 8.355 8.355 7.708 0.647 25830 1893 1 4 . 1 1 59 59 GLY N N 59 101.896 101.896 104.946 -3.050 25830 1894 1 4 . 1 1 59 59 GLY C C 59 171.619 171.619 174.487 -2.868 25830 1895 1 4 . 1 1 59 59 GLY CA C 59 43.245 43.245 45.684 -2.439 25830 1896 1 4 . 1 1 59 59 GLY H H 59 7.613 7.613 7.974 -0.361 25830 1897 1 4 . 1 1 60 60 SER N N 60 114.297 114.297 115.306 -1.009 25830 1898 1 4 . 1 1 60 60 SER HA H 60 4.548 4.548 4.555 -0.007 25830 1899 1 4 . 1 1 60 60 SER C C 60 171.232 171.232 173.976 -2.744 25830 1900 1 4 . 1 1 60 60 SER CA C 60 55.817 55.817 57.649 -1.832 25830 1901 1 4 . 1 1 60 60 SER CB C 60 61.793 61.793 64.226 -2.433 25830 1902 1 4 . 1 1 60 60 SER H H 60 7.570 7.570 7.572 -0.002 25830 1903 1 4 . 1 1 61 61 ILE N N 61 125.096 125.096 125.440 -0.344 25830 1904 1 4 . 1 1 61 61 ILE HA H 61 4.272 4.272 4.465 -0.193 25830 1905 1 4 . 1 1 61 61 ILE C C 61 170.966 170.966 174.281 -3.315 25830 1906 1 4 . 1 1 61 61 ILE CA C 61 56.364 56.364 58.287 -1.923 25830 1907 1 4 . 1 1 61 61 ILE CB C 61 36.307 36.307 39.158 -2.851 25830 1908 1 4 . 1 1 61 61 ILE H H 61 7.222 7.222 7.418 -0.196 25830 1909 1 4 . 1 1 62 62 PRO HA H 62 4.317 4.317 4.385 -0.068 25830 1910 1 4 . 1 1 62 62 PRO C C 62 173.935 173.935 176.411 -2.476 25830 1911 1 4 . 1 1 62 62 PRO CA C 62 60.634 60.634 63.114 -2.480 25830 1912 1 4 . 1 1 62 62 PRO CB C 62 29.399 29.399 31.900 -2.501 25830 1913 1 4 . 1 1 63 63 LYS N N 63 115.837 115.837 118.087 -2.250 25830 1914 1 4 . 1 1 63 63 LYS HA H 63 3.916 3.916 3.840 0.076 25830 1915 1 4 . 1 1 63 63 LYS C C 63 172.800 172.800 176.136 -3.336 25830 1916 1 4 . 1 1 63 63 LYS CA C 63 53.303 53.303 56.804 -3.501 25830 1917 1 4 . 1 1 63 63 LYS CB C 63 26.973 26.973 31.367 -4.394 25830 1918 1 4 . 1 1 63 63 LYS H H 63 8.584 8.584 8.476 0.108 25830 1919 1 4 . 1 1 64 64 LEU N N 64 118.672 118.672 120.019 -1.347 25830 1920 1 4 . 1 1 64 64 LEU HA H 64 3.625 3.625 4.032 -0.407 25830 1921 1 4 . 1 1 64 64 LEU C C 64 173.690 173.690 176.037 -2.347 25830 1922 1 4 . 1 1 64 64 LEU CA C 64 53.929 53.929 55.754 -1.825 25830 1923 1 4 . 1 1 64 64 LEU CB C 64 39.878 39.878 42.094 -2.216 25830 1924 1 4 . 1 1 64 64 LEU H H 64 7.116 7.116 7.467 -0.351 25830 1925 1 4 . 1 1 65 65 ASN N N 65 125.562 125.562 127.073 -1.511 25830 1926 1 4 . 1 1 65 65 ASN HA H 65 4.879 4.879 4.881 -0.002 25830 1927 1 4 . 1 1 65 65 ASN C C 65 174.338 174.338 176.170 -1.832 25830 1928 1 4 . 1 1 65 65 ASN CA C 65 48.862 48.862 51.378 -2.516 25830 1929 1 4 . 1 1 65 65 ASN CB C 65 34.238 34.238 38.442 -4.204 25830 1930 1 4 . 1 1 65 65 ASN H H 65 9.348 9.348 8.309 1.039 25830 1931 1 4 . 1 1 66 66 THR N N 66 118.448 118.448 118.829 -0.381 25830 1932 1 4 . 1 1 66 66 THR HA H 66 3.840 3.840 3.865 -0.025 25830 1933 1 4 . 1 1 66 66 THR C C 66 174.820 174.820 176.087 -1.267 25830 1934 1 4 . 1 1 66 66 THR CA C 66 62.576 62.576 65.985 -3.409 25830 1935 1 4 . 1 1 66 66 THR CB C 66 65.348 65.348 68.553 -3.205 25830 1936 1 4 . 1 1 66 66 THR H H 66 8.735 8.735 8.177 0.558 25830 1937 1 4 . 1 1 67 67 ASN N N 67 121.545 121.545 119.639 1.906 25830 1938 1 4 . 1 1 67 67 ASN HA H 67 4.460 4.460 4.450 0.010 25830 1939 1 4 . 1 1 67 67 ASN C C 67 174.825 174.825 178.152 -3.327 25830 1940 1 4 . 1 1 67 67 ASN CA C 67 53.781 53.781 55.946 -2.165 25830 1941 1 4 . 1 1 67 67 ASN CB C 67 35.495 35.495 38.544 -3.049 25830 1942 1 4 . 1 1 67 67 ASN H H 67 8.229 8.229 7.911 0.318 25830 1943 1 4 . 1 1 68 68 ASN N N 68 122.399 122.399 118.748 3.651 25830 1944 1 4 . 1 1 68 68 ASN HA H 68 4.463 4.463 4.456 0.007 25830 1945 1 4 . 1 1 68 68 ASN C C 68 175.357 175.357 176.759 -1.402 25830 1946 1 4 . 1 1 68 68 ASN CA C 68 52.009 52.009 55.614 -3.605 25830 1947 1 4 . 1 1 68 68 ASN CB C 68 32.853 32.853 37.931 -5.078 25830 1948 1 4 . 1 1 68 68 ASN H H 68 7.153 7.153 7.885 -0.732 25830 1949 1 4 . 1 1 69 69 ALA N N 69 123.588 123.588 121.485 2.103 25830 1950 1 4 . 1 1 69 69 ALA HA H 69 3.930 3.930 4.245 -0.315 25830 1951 1 4 . 1 1 69 69 ALA C C 69 175.919 175.919 178.015 -2.096 25830 1952 1 4 . 1 1 69 69 ALA CA C 69 53.087 53.087 54.320 -1.233 25830 1953 1 4 . 1 1 69 69 ALA CB C 69 14.867 14.867 18.257 -3.390 25830 1954 1 4 . 1 1 69 69 ALA H H 69 7.942 7.942 7.432 0.510 25830 1955 1 4 . 1 1 70 70 ALA N N 70 117.736 117.736 119.983 -2.247 25830 1956 1 4 . 1 1 70 70 ALA HA H 70 4.250 4.250 4.140 0.110 25830 1957 1 4 . 1 1 70 70 ALA C C 70 176.704 176.704 178.562 -1.858 25830 1958 1 4 . 1 1 70 70 ALA CA C 70 51.706 51.706 54.232 -2.526 25830 1959 1 4 . 1 1 70 70 ALA CB C 70 15.507 15.507 19.382 -3.875 25830 1960 1 4 . 1 1 70 70 ALA H H 70 7.574 7.574 7.394 0.180 25830 1961 1 4 . 1 1 71 71 ALA N N 71 117.858 117.858 120.897 -3.039 25830 1962 1 4 . 1 1 71 71 ALA HA H 71 4.321 4.321 4.371 -0.050 25830 1963 1 4 . 1 1 71 71 ALA C C 71 175.190 175.190 179.305 -4.115 25830 1964 1 4 . 1 1 71 71 ALA CA C 71 50.142 50.142 53.702 -3.560 25830 1965 1 4 . 1 1 71 71 ALA CB C 71 16.908 16.908 18.352 -1.444 25830 1966 1 4 . 1 1 71 71 ALA H H 71 7.676 7.676 7.417 0.259 25830 1967 1 4 . 1 1 72 72 LEU N N 72 117.566 117.566 121.624 -4.058 25830 1968 1 4 . 1 1 72 72 LEU HA H 72 4.097 4.097 4.208 -0.111 25830 1969 1 4 . 1 1 72 72 LEU C C 72 170.406 170.406 175.585 -5.179 25830 1970 1 4 . 1 1 72 72 LEU CA C 72 57.688 57.688 60.181 -2.493 25830 1971 1 4 . 1 1 72 72 LEU CB C 72 36.632 36.632 40.218 -3.586 25830 1972 1 4 . 1 1 72 72 LEU H H 72 7.494 7.494 7.784 -0.290 25830 1973 1 4 . 1 1 73 73 PRO HA H 73 3.793 3.793 4.321 -0.528 25830 1974 1 4 . 1 1 73 73 PRO C C 73 176.416 176.416 179.030 -2.614 25830 1975 1 4 . 1 1 73 73 PRO CA C 73 64.431 64.431 65.701 -1.270 25830 1976 1 4 . 1 1 73 73 PRO CB C 73 27.928 27.928 30.916 -2.988 25830 1977 1 4 . 1 1 74 74 GLY N N 74 106.170 106.170 107.201 -1.031 25830 1978 1 4 . 1 1 74 74 GLY C C 74 176.081 176.081 177.246 -1.165 25830 1979 1 4 . 1 1 74 74 GLY CA C 74 44.577 44.577 47.161 -2.584 25830 1980 1 4 . 1 1 74 74 GLY H H 74 8.374 8.374 7.915 0.459 25830 1981 1 4 . 1 1 75 75 LYS N N 75 121.379 121.379 119.897 1.482 25830 1982 1 4 . 1 1 75 75 LYS HA H 75 4.162 4.162 4.260 -0.098 25830 1983 1 4 . 1 1 75 75 LYS C C 75 175.735 175.735 177.138 -1.403 25830 1984 1 4 . 1 1 75 75 LYS CA C 75 56.053 56.053 57.927 -1.874 25830 1985 1 4 . 1 1 75 75 LYS CB C 75 30.087 30.087 32.235 -2.148 25830 1986 1 4 . 1 1 75 75 LYS H H 75 8.417 8.417 8.441 -0.024 25830 1987 1 4 . 1 1 76 76 CYS N N 76 115.021 115.021 117.343 -2.322 25830 1988 1 4 . 1 1 76 76 CYS HA H 76 4.895 4.895 4.437 0.458 25830 1989 1 4 . 1 1 76 76 CYS C C 76 172.300 172.300 174.859 -2.559 25830 1990 1 4 . 1 1 76 76 CYS CA C 76 49.730 49.730 58.949 -9.219 25830 1991 1 4 . 1 1 76 76 CYS CB C 76 32.817 32.817 27.022 5.795 25830 1992 1 4 . 1 1 76 76 CYS H H 76 7.756 7.756 7.611 0.145 25830 1993 1 4 . 1 1 77 77 GLY N N 77 109.352 109.352 108.169 1.183 25830 1994 1 4 . 1 1 77 77 GLY C C 77 171.753 171.753 174.263 -2.510 25830 1995 1 4 . 1 1 77 77 GLY CA C 77 43.794 43.794 45.898 -2.104 25830 1996 1 4 . 1 1 77 77 GLY H H 77 7.894 7.894 7.680 0.214 25830 1997 1 4 . 1 1 78 78 VAL N N 78 115.528 115.528 117.147 -1.619 25830 1998 1 4 . 1 1 78 78 VAL HA H 78 4.491 4.491 4.489 0.002 25830 1999 1 4 . 1 1 78 78 VAL C C 78 171.256 171.256 175.033 -3.777 25830 2000 1 4 . 1 1 78 78 VAL CA C 78 56.800 56.800 60.068 -3.268 25830 2001 1 4 . 1 1 78 78 VAL CB C 78 31.741 31.741 32.854 -1.113 25830 2002 1 4 . 1 1 78 78 VAL H H 78 8.137 8.137 7.457 0.680 25830 2003 1 4 . 1 1 79 79 SER N N 79 116.418 116.418 120.924 -4.506 25830 2004 1 4 . 1 1 79 79 SER HA H 79 4.583 4.583 4.690 -0.107 25830 2005 1 4 . 1 1 79 79 SER C C 79 170.681 170.681 173.332 -2.651 25830 2006 1 4 . 1 1 79 79 SER CA C 79 54.258 54.258 57.563 -3.305 25830 2007 1 4 . 1 1 79 79 SER CB C 79 61.468 61.468 63.997 -2.529 25830 2008 1 4 . 1 1 79 79 SER H H 79 8.124 8.124 8.394 -0.270 25830 2009 1 4 . 1 1 80 80 ILE N N 80 120.257 120.257 121.459 -1.202 25830 2010 1 4 . 1 1 80 80 ILE HA H 80 4.639 4.639 4.495 0.144 25830 2011 1 4 . 1 1 80 80 ILE C C 80 172.830 172.830 174.270 -1.440 25830 2012 1 4 . 1 1 80 80 ILE CA C 80 55.333 55.333 58.249 -2.916 25830 2013 1 4 . 1 1 80 80 ILE CB C 80 38.093 38.093 38.322 -0.229 25830 2014 1 4 . 1 1 80 80 ILE H H 80 8.089 8.089 8.069 0.020 25830 2015 1 4 . 1 1 81 81 PRO HA H 81 4.547 4.547 4.324 0.223 25830 2016 1 4 . 1 1 81 81 PRO C C 81 171.325 171.325 175.832 -4.507 25830 2017 1 4 . 1 1 81 81 PRO CA C 81 60.903 60.903 64.116 -3.213 25830 2018 1 4 . 1 1 81 81 PRO CB C 81 27.693 27.693 32.302 -4.609 25830 2019 1 4 . 1 1 82 82 TYR N N 82 115.259 115.259 115.205 0.054 25830 2020 1 4 . 1 1 82 82 TYR HA H 82 4.732 4.732 4.748 -0.016 25830 2021 1 4 . 1 1 82 82 TYR C C 82 170.187 170.187 174.777 -4.590 25830 2022 1 4 . 1 1 82 82 TYR CA C 82 51.930 51.930 54.774 -2.844 25830 2023 1 4 . 1 1 82 82 TYR CB C 82 37.275 37.275 40.227 -2.952 25830 2024 1 4 . 1 1 82 82 TYR H H 82 6.642 6.642 7.294 -0.652 25830 2025 1 4 . 1 1 83 83 LYS N N 83 116.992 116.992 122.791 -5.799 25830 2026 1 4 . 1 1 83 83 LYS HA H 83 4.464 4.464 4.394 0.070 25830 2027 1 4 . 1 1 83 83 LYS C C 83 174.342 174.342 175.669 -1.327 25830 2028 1 4 . 1 1 83 83 LYS CA C 83 51.653 51.653 55.158 -3.505 25830 2029 1 4 . 1 1 83 83 LYS CB C 83 31.513 31.513 33.422 -1.909 25830 2030 1 4 . 1 1 83 83 LYS H H 83 8.301 8.301 8.370 -0.069 25830 2031 1 4 . 1 1 84 84 ILE N N 84 126.906 126.906 120.388 6.518 25830 2032 1 4 . 1 1 84 84 ILE HA H 84 3.913 3.913 4.465 -0.552 25830 2033 1 4 . 1 1 84 84 ILE C C 84 170.945 170.945 174.960 -4.015 25830 2034 1 4 . 1 1 84 84 ILE CA C 84 59.761 59.761 60.530 -0.769 25830 2035 1 4 . 1 1 84 84 ILE CB C 84 33.534 33.534 36.309 -2.775 25830 2036 1 4 . 1 1 84 84 ILE H H 84 9.304 9.304 8.440 0.864 25830 2037 1 4 . 1 1 85 85 SER N N 85 120.246 120.246 122.502 -2.256 25830 2038 1 4 . 1 1 85 85 SER HA H 85 4.563 4.563 4.892 -0.329 25830 2039 1 4 . 1 1 85 85 SER C C 85 171.695 171.695 175.135 -3.440 25830 2040 1 4 . 1 1 85 85 SER CA C 85 53.394 53.394 56.788 -3.394 25830 2041 1 4 . 1 1 85 85 SER CB C 85 61.638 61.638 66.421 -4.784 25830 2042 1 4 . 1 1 85 85 SER H H 85 7.256 7.256 8.070 -0.814 25830 2043 1 4 . 1 1 86 86 THR N N 86 115.458 115.458 114.372 1.086 25830 2044 1 4 . 1 1 86 86 THR HA H 86 4.147 4.147 4.229 -0.082 25830 2045 1 4 . 1 1 86 86 THR C C 86 172.663 172.663 175.374 -2.711 25830 2046 1 4 . 1 1 86 86 THR CA C 86 61.527 61.527 64.967 -3.440 25830 2047 1 4 . 1 1 86 86 THR CB C 86 65.858 65.858 68.890 -3.032 25830 2048 1 4 . 1 1 86 86 THR H H 86 8.819 8.819 8.349 0.470 25830 2049 1 4 . 1 1 87 87 SER N N 87 114.029 114.029 116.065 -2.036 25830 2050 1 4 . 1 1 87 87 SER HA H 87 4.524 4.524 4.634 -0.110 25830 2051 1 4 . 1 1 87 87 SER C C 87 172.010 172.010 173.893 -1.883 25830 2052 1 4 . 1 1 87 87 SER CA C 87 55.408 55.408 57.485 -2.077 25830 2053 1 4 . 1 1 87 87 SER CB C 87 61.144 61.144 63.417 -2.273 25830 2054 1 4 . 1 1 87 87 SER H H 87 8.239 8.239 7.813 0.426 25830 2055 1 4 . 1 1 88 88 THR N N 88 120.831 120.831 118.061 2.770 25830 2056 1 4 . 1 1 88 88 THR HA H 88 3.808 3.808 4.347 -0.539 25830 2057 1 4 . 1 1 88 88 THR C C 88 181.273 181.273 174.175 7.098 25830 2058 1 4 . 1 1 88 88 THR CA C 88 61.409 61.409 63.661 -2.252 25830 2059 1 4 . 1 1 88 88 THR CB C 88 67.556 67.556 69.825 -2.269 25830 2060 1 4 . 1 1 88 88 THR H H 88 7.142 7.142 7.333 -0.191 25830 2061 1 4 . 1 1 89 89 ASN N N 89 124.818 124.818 124.237 0.581 25830 2062 1 4 . 1 1 89 89 ASN HA H 89 4.819 4.819 4.851 -0.032 25830 2063 1 4 . 1 1 89 89 ASN C C 89 173.325 173.325 176.174 -2.849 25830 2064 1 4 . 1 1 89 89 ASN CA C 89 48.483 48.483 52.612 -4.129 25830 2065 1 4 . 1 1 89 89 ASN CB C 89 34.958 34.958 37.846 -2.889 25830 2066 1 4 . 1 1 89 89 ASN H H 89 8.754 8.754 8.694 0.060 25830 2067 1 4 . 1 1 90 90 CYS N N 90 123.361 123.361 119.471 3.890 25830 2068 1 4 . 1 1 90 90 CYS HA H 90 4.174 4.174 4.339 -0.165 25830 2069 1 4 . 1 1 90 90 CYS C C 90 172.573 172.573 175.862 -3.289 25830 2070 1 4 . 1 1 90 90 CYS CA C 90 54.158 54.158 59.819 -5.662 25830 2071 1 4 . 1 1 90 90 CYS CB C 90 36.687 36.687 26.447 10.241 25830 2072 1 4 . 1 1 90 90 CYS H H 90 8.790 8.790 7.673 1.117 25830 2073 1 4 . 1 1 91 91 ASN N N 91 115.199 115.199 116.717 -1.518 25830 2074 1 4 . 1 1 91 91 ASN HA H 91 4.578 4.578 4.598 -0.020 25830 2075 1 4 . 1 1 91 91 ASN C C 91 173.584 173.584 176.395 -2.811 25830 2076 1 4 . 1 1 91 91 ASN CA C 91 52.264 52.264 54.717 -2.453 25830 2077 1 4 . 1 1 91 91 ASN CB C 91 35.690 35.690 37.960 -2.270 25830 2078 1 4 . 1 1 91 91 ASN H H 91 8.320 8.320 8.651 -0.331 25830 2079 1 4 . 1 1 92 92 THR N N 92 107.497 107.497 109.550 -2.053 25830 2080 1 4 . 1 1 92 92 THR HA H 92 4.388 4.388 4.360 0.028 25830 2081 1 4 . 1 1 92 92 THR C C 92 171.702 171.702 175.276 -3.574 25830 2082 1 4 . 1 1 92 92 THR CA C 92 58.280 58.280 61.973 -3.693 25830 2083 1 4 . 1 1 92 92 THR CB C 92 66.107 66.107 70.215 -4.108 25830 2084 1 4 . 1 1 92 92 THR H H 92 7.338 7.338 7.348 -0.010 25830 2085 1 4 . 1 1 93 93 VAL N N 93 123.151 123.151 122.750 0.401 25830 2086 1 4 . 1 1 93 93 VAL HA H 93 3.667 3.667 3.892 -0.225 25830 2087 1 4 . 1 1 93 93 VAL C C 93 172.207 172.207 176.126 -3.919 25830 2088 1 4 . 1 1 93 93 VAL CA C 93 59.846 59.846 63.278 -3.432 25830 2089 1 4 . 1 1 93 93 VAL CB C 93 29.999 29.999 32.220 -2.221 25830 2090 1 4 . 1 1 93 93 VAL H H 93 6.806 6.806 7.256 -0.450 25830 2091 1 4 . 1 1 94 94 ARG N N 94 127.129 127.129 127.914 -0.785 25830 2092 1 4 . 1 1 94 94 ARG HA H 94 4.339 4.339 4.137 0.202 25830 2093 1 4 . 1 1 94 94 ARG C C 94 171.859 171.859 176.193 -4.334 25830 2094 1 4 . 1 1 94 94 ARG CA C 94 52.395 52.395 56.066 -3.671 25830 2095 1 4 . 1 1 94 94 ARG CB C 94 26.973 26.973 29.386 -2.413 25830 2096 1 4 . 1 1 94 94 ARG H H 94 8.201 8.201 8.477 -0.276 25830 2097 1 5 . 1 1 2 2 LEU N N 2 123.438 123.438 123.859 -0.421 25830 2098 1 5 . 1 1 2 2 LEU HA H 2 4.344 4.344 4.629 -0.285 25830 2099 1 5 . 1 1 2 2 LEU C C 2 172.388 172.388 176.084 -3.696 25830 2100 1 5 . 1 1 2 2 LEU CA C 2 52.560 52.560 55.193 -2.633 25830 2101 1 5 . 1 1 2 2 LEU CB C 2 40.603 40.603 42.452 -1.849 25830 2102 1 5 . 1 1 2 2 LEU H H 2 8.368 8.368 8.428 -0.060 25830 2103 1 5 . 1 1 3 3 SER N N 3 119.868 119.868 119.234 0.634 25830 2104 1 5 . 1 1 3 3 SER HA H 3 4.748 4.748 4.716 0.032 25830 2105 1 5 . 1 1 3 3 SER C C 3 173.163 173.163 175.572 -2.409 25830 2106 1 5 . 1 1 3 3 SER CA C 3 53.523 53.523 57.023 -3.500 25830 2107 1 5 . 1 1 3 3 SER CB C 3 62.412 62.412 65.567 -3.155 25830 2108 1 5 . 1 1 3 3 SER H H 3 8.550 8.550 8.329 0.221 25830 2109 1 5 . 1 1 4 4 CYS N N 4 120.408 120.408 126.562 -6.154 25830 2110 1 5 . 1 1 4 4 CYS HA H 4 4.586 4.586 4.325 0.261 25830 2111 1 5 . 1 1 4 4 CYS C C 4 175.067 175.067 177.103 -2.036 25830 2112 1 5 . 1 1 4 4 CYS CA C 4 52.166 52.166 60.696 -8.530 25830 2113 1 5 . 1 1 4 4 CYS CB C 4 30.372 30.372 26.919 3.453 25830 2114 1 5 . 1 1 4 4 CYS H H 4 9.222 9.222 9.104 0.118 25830 2115 1 5 . 1 1 5 5 GLY N N 5 110.663 110.663 107.107 3.556 25830 2116 1 5 . 1 1 5 5 GLY C C 5 174.023 174.023 175.035 -1.012 25830 2117 1 5 . 1 1 5 5 GLY CA C 5 44.577 44.577 47.199 -2.622 25830 2118 1 5 . 1 1 5 5 GLY H H 5 8.721 8.721 7.958 0.763 25830 2119 1 5 . 1 1 6 6 THR N N 6 118.884 118.884 115.039 3.845 25830 2120 1 5 . 1 1 6 6 THR HA H 6 4.031 4.031 4.449 -0.418 25830 2121 1 5 . 1 1 6 6 THR C C 6 172.782 172.782 176.066 -3.284 25830 2122 1 5 . 1 1 6 6 THR CA C 6 62.801 62.801 64.114 -1.313 25830 2123 1 5 . 1 1 6 6 THR CB C 6 65.896 65.896 69.692 -3.796 25830 2124 1 5 . 1 1 6 6 THR H H 6 7.676 7.676 7.622 0.054 25830 2125 1 5 . 1 1 7 7 VAL N N 7 120.789 120.789 122.804 -2.015 25830 2126 1 5 . 1 1 7 7 VAL HA H 7 3.607 3.607 3.686 -0.079 25830 2127 1 5 . 1 1 7 7 VAL C C 7 174.356 174.356 177.980 -3.624 25830 2128 1 5 . 1 1 7 7 VAL CA C 7 63.774 63.774 66.318 -2.544 25830 2129 1 5 . 1 1 7 7 VAL CB C 7 28.610 28.610 31.156 -2.546 25830 2130 1 5 . 1 1 7 7 VAL H H 7 7.280 7.280 7.406 -0.126 25830 2131 1 5 . 1 1 8 8 SER N N 8 114.047 114.047 115.040 -0.993 25830 2132 1 5 . 1 1 8 8 SER HA H 8 3.858 3.858 4.192 -0.334 25830 2133 1 5 . 1 1 8 8 SER C C 8 173.948 173.948 175.880 -1.932 25830 2134 1 5 . 1 1 8 8 SER CA C 8 59.791 59.791 60.907 -1.116 25830 2135 1 5 . 1 1 8 8 SER CB C 8 59.242 59.242 63.072 -3.830 25830 2136 1 5 . 1 1 8 8 SER H H 8 8.501 8.501 8.101 0.400 25830 2137 1 5 . 1 1 9 9 ALA N N 9 123.669 123.669 123.524 0.145 25830 2138 1 5 . 1 1 9 9 ALA HA H 9 4.165 4.165 4.086 0.079 25830 2139 1 5 . 1 1 9 9 ALA C C 9 177.740 177.740 179.189 -1.449 25830 2140 1 5 . 1 1 9 9 ALA CA C 9 52.218 52.218 54.775 -2.557 25830 2141 1 5 . 1 1 9 9 ALA CB C 9 15.348 15.348 18.446 -3.098 25830 2142 1 5 . 1 1 9 9 ALA H H 9 7.685 7.685 7.263 0.422 25830 2143 1 5 . 1 1 10 10 ASP N N 10 118.653 118.653 116.864 1.789 25830 2144 1 5 . 1 1 10 10 ASP HA H 10 4.414 4.414 4.496 -0.082 25830 2145 1 5 . 1 1 10 10 ASP C C 10 173.327 173.327 177.771 -4.444 25830 2146 1 5 . 1 1 10 10 ASP CA C 10 53.357 53.357 55.976 -2.619 25830 2147 1 5 . 1 1 10 10 ASP CB C 10 35.579 35.579 40.928 -5.348 25830 2148 1 5 . 1 1 10 10 ASP H H 10 8.161 8.161 7.778 0.383 25830 2149 1 5 . 1 1 11 11 LEU N N 11 115.104 115.104 120.168 -5.064 25830 2150 1 5 . 1 1 11 11 LEU HA H 11 4.183 4.183 4.212 -0.029 25830 2151 1 5 . 1 1 11 11 LEU C C 11 175.206 175.206 178.346 -3.140 25830 2152 1 5 . 1 1 11 11 LEU CA C 11 51.360 51.360 55.672 -4.311 25830 2153 1 5 . 1 1 11 11 LEU CB C 11 40.185 40.185 40.830 -0.645 25830 2154 1 5 . 1 1 11 11 LEU H H 11 7.731 7.731 7.262 0.469 25830 2155 1 5 . 1 1 12 12 ALA N N 12 124.133 124.133 122.940 1.193 25830 2156 1 5 . 1 1 12 12 ALA HA H 12 4.309 4.309 4.142 0.167 25830 2157 1 5 . 1 1 12 12 ALA C C 12 174.540 174.540 177.011 -2.471 25830 2158 1 5 . 1 1 12 12 ALA CA C 12 54.075 54.075 56.820 -2.745 25830 2159 1 5 . 1 1 12 12 ALA CB C 12 13.256 13.256 16.486 -3.231 25830 2160 1 5 . 1 1 12 12 ALA H H 12 7.481 7.481 7.825 -0.344 25830 2161 1 5 . 1 1 13 13 PRO HA H 13 4.674 4.674 4.480 0.194 25830 2162 1 5 . 1 1 13 13 PRO C C 13 174.824 174.824 176.700 -1.876 25830 2163 1 5 . 1 1 13 13 PRO CA C 13 61.982 61.982 64.519 -2.537 25830 2164 1 5 . 1 1 13 13 PRO CB C 13 28.804 28.804 31.228 -2.424 25830 2165 1 5 . 1 1 14 14 CYS N N 14 114.225 114.225 116.931 -2.706 25830 2166 1 5 . 1 1 14 14 CYS HA H 14 4.722 4.722 4.653 0.069 25830 2167 1 5 . 1 1 14 14 CYS C C 14 172.376 172.376 176.791 -4.415 25830 2168 1 5 . 1 1 14 14 CYS CA C 14 51.481 51.481 60.112 -8.631 25830 2169 1 5 . 1 1 14 14 CYS CB C 14 39.508 39.508 27.741 11.767 25830 2170 1 5 . 1 1 14 14 CYS H H 14 8.938 8.938 7.632 1.306 25830 2171 1 5 . 1 1 15 15 VAL N N 15 122.488 122.488 122.897 -0.409 25830 2172 1 5 . 1 1 15 15 VAL HA H 15 3.350 3.350 3.618 -0.268 25830 2173 1 5 . 1 1 15 15 VAL C C 15 173.644 173.644 177.693 -4.049 25830 2174 1 5 . 1 1 15 15 VAL CA C 15 66.608 66.608 66.795 -0.187 25830 2175 1 5 . 1 1 15 15 VAL CB C 15 28.692 28.692 30.830 -2.138 25830 2176 1 5 . 1 1 15 15 VAL H H 15 7.767 7.767 8.315 -0.548 25830 2177 1 5 . 1 1 16 16 THR N N 16 112.169 112.169 114.523 -2.354 25830 2178 1 5 . 1 1 16 16 THR HA H 16 4.012 4.012 3.928 0.084 25830 2179 1 5 . 1 1 16 16 THR C C 16 175.021 175.021 176.386 -1.365 25830 2180 1 5 . 1 1 16 16 THR CA C 16 63.879 63.879 66.420 -2.541 25830 2181 1 5 . 1 1 16 16 THR CB C 16 65.364 65.364 68.831 -3.466 25830 2182 1 5 . 1 1 16 16 THR H H 16 8.258 8.258 7.835 0.423 25830 2183 1 5 . 1 1 17 17 TYR N N 17 124.563 124.563 121.389 3.174 25830 2184 1 5 . 1 1 17 17 TYR HA H 17 4.265 4.265 4.317 -0.052 25830 2185 1 5 . 1 1 17 17 TYR C C 17 174.326 174.326 177.857 -3.531 25830 2186 1 5 . 1 1 17 17 TYR CA C 17 58.001 58.001 60.014 -2.014 25830 2187 1 5 . 1 1 17 17 TYR CB C 17 35.252 35.252 38.168 -2.916 25830 2188 1 5 . 1 1 17 17 TYR H H 17 8.280 8.280 8.138 0.142 25830 2189 1 5 . 1 1 18 18 LEU N N 18 119.213 119.213 119.583 -0.370 25830 2190 1 5 . 1 1 18 18 LEU HA H 18 3.630 3.630 3.667 -0.037 25830 2191 1 5 . 1 1 18 18 LEU C C 18 172.858 172.858 178.645 -5.787 25830 2192 1 5 . 1 1 18 18 LEU CA C 18 54.171 54.171 57.435 -3.264 25830 2193 1 5 . 1 1 18 18 LEU CB C 18 38.310 38.310 41.440 -3.130 25830 2194 1 5 . 1 1 18 18 LEU H H 18 8.394 8.394 7.827 0.567 25830 2195 1 5 . 1 1 19 19 GLN N N 19 114.782 114.782 114.083 0.699 25830 2196 1 5 . 1 1 19 19 GLN HA H 19 4.582 4.582 4.253 0.329 25830 2197 1 5 . 1 1 19 19 GLN C C 19 172.754 172.754 176.157 -3.403 25830 2198 1 5 . 1 1 19 19 GLN CA C 19 52.320 52.320 55.737 -3.417 25830 2199 1 5 . 1 1 19 19 GLN CB C 19 27.954 27.954 29.174 -1.220 25830 2200 1 5 . 1 1 19 19 GLN H H 19 7.319 7.319 7.508 -0.189 25830 2201 1 5 . 1 1 20 20 ALA N N 20 126.473 126.473 123.769 2.704 25830 2202 1 5 . 1 1 20 20 ALA HA H 20 4.494 4.494 4.584 -0.090 25830 2203 1 5 . 1 1 20 20 ALA C C 20 171.072 171.072 175.295 -4.223 25830 2204 1 5 . 1 1 20 20 ALA CA C 20 48.862 48.862 50.053 -1.191 25830 2205 1 5 . 1 1 20 20 ALA CB C 20 15.610 15.610 18.726 -3.116 25830 2206 1 5 . 1 1 20 20 ALA H H 20 7.292 7.292 7.443 -0.151 25830 2207 1 5 . 1 1 21 21 PRO HA H 21 4.440 4.440 4.452 -0.012 25830 2208 1 5 . 1 1 21 21 PRO C C 21 174.052 174.052 177.162 -3.110 25830 2209 1 5 . 1 1 21 21 PRO CA C 21 59.522 59.522 61.896 -2.374 25830 2210 1 5 . 1 1 21 21 PRO CB C 21 29.853 29.853 32.343 -2.490 25830 2211 1 5 . 1 1 22 22 ASN N N 22 117.448 117.448 117.788 -0.340 25830 2212 1 5 . 1 1 22 22 ASN HA H 22 4.754 4.754 4.631 0.123 25830 2213 1 5 . 1 1 22 22 ASN C C 22 173.299 173.299 175.999 -2.700 25830 2214 1 5 . 1 1 22 22 ASN CA C 22 51.478 51.478 55.316 -3.838 25830 2215 1 5 . 1 1 22 22 ASN CB C 22 35.291 35.291 37.984 -2.693 25830 2216 1 5 . 1 1 22 22 ASN H H 22 8.466 8.466 8.725 -0.259 25830 2217 1 5 . 1 1 23 23 ASN N N 23 113.171 113.171 116.100 -2.929 25830 2218 1 5 . 1 1 23 23 ASN HA H 23 4.555 4.555 4.557 -0.002 25830 2219 1 5 . 1 1 23 23 ASN C C 23 172.210 172.210 175.043 -2.833 25830 2220 1 5 . 1 1 23 23 ASN CA C 23 50.626 50.626 53.496 -2.870 25830 2221 1 5 . 1 1 23 23 ASN CB C 23 34.278 34.278 37.766 -3.488 25830 2222 1 5 . 1 1 23 23 ASN H H 23 8.187 8.187 8.067 0.120 25830 2223 1 5 . 1 1 24 24 ALA N N 24 122.578 122.578 123.067 -0.489 25830 2224 1 5 . 1 1 24 24 ALA HA H 24 4.394 4.394 4.552 -0.158 25830 2225 1 5 . 1 1 24 24 ALA C C 24 173.708 173.708 176.372 -2.664 25830 2226 1 5 . 1 1 24 24 ALA CA C 24 49.696 49.696 52.090 -2.394 25830 2227 1 5 . 1 1 24 24 ALA CB C 24 18.288 18.288 20.495 -2.207 25830 2228 1 5 . 1 1 24 24 ALA H H 24 7.381 7.381 7.583 -0.202 25830 2229 1 5 . 1 1 25 25 SER N N 25 115.237 115.237 115.306 -0.069 25830 2230 1 5 . 1 1 25 25 SER HA H 25 4.922 4.922 4.542 0.380 25830 2231 1 5 . 1 1 25 25 SER C C 25 181.107 181.107 172.068 9.039 25830 2232 1 5 . 1 1 25 25 SER CA C 25 53.033 53.033 54.861 -1.828 25830 2233 1 5 . 1 1 25 25 SER CB C 25 61.549 61.549 64.860 -3.311 25830 2234 1 5 . 1 1 25 25 SER H H 25 8.649 8.649 8.386 0.263 25830 2235 1 5 . 1 1 26 26 PRO HA H 26 4.014 4.014 4.265 -0.251 25830 2236 1 5 . 1 1 26 26 PRO CA C 26 57.292 57.292 61.020 -3.728 25830 2237 1 5 . 1 1 26 26 PRO CB C 26 27.450 27.450 31.059 -3.609 25830 2238 1 5 . 1 1 27 27 PRO HA H 27 4.881 4.881 4.717 0.164 25830 2239 1 5 . 1 1 27 27 PRO CA C 27 58.500 58.500 60.903 -2.403 25830 2240 1 5 . 1 1 27 27 PRO CB C 27 28.489 28.489 30.843 -2.354 25830 2241 1 5 . 1 1 28 28 PRO HA H 28 4.421 4.421 4.257 0.164 25830 2242 1 5 . 1 1 28 28 PRO CA C 28 64.505 64.505 66.493 -1.988 25830 2243 1 5 . 1 1 28 28 PRO CB C 28 26.217 26.217 29.796 -3.579 25830 2244 1 5 . 1 1 29 29 PRO HA H 29 4.477 4.477 4.408 0.069 25830 2245 1 5 . 1 1 29 29 PRO C C 29 177.330 177.330 178.589 -1.259 25830 2246 1 5 . 1 1 29 29 PRO CA C 29 62.883 62.883 65.163 -2.280 25830 2247 1 5 . 1 1 29 29 PRO CB C 29 28.301 28.301 31.170 -2.869 25830 2248 1 5 . 1 1 30 30 CYS N N 30 114.694 114.694 117.971 -3.277 25830 2249 1 5 . 1 1 30 30 CYS HA H 30 4.456 4.456 4.263 0.193 25830 2250 1 5 . 1 1 30 30 CYS C C 30 172.260 172.260 176.635 -4.375 25830 2251 1 5 . 1 1 30 30 CYS CA C 30 55.585 55.585 61.738 -6.153 25830 2252 1 5 . 1 1 30 30 CYS CB C 30 34.602 34.602 26.004 8.598 25830 2253 1 5 . 1 1 30 30 CYS H H 30 7.637 7.637 7.630 0.007 25830 2254 1 5 . 1 1 31 31 CYS N N 31 116.335 116.335 120.866 -4.531 25830 2255 1 5 . 1 1 31 31 CYS HA H 31 4.607 4.607 4.099 0.508 25830 2256 1 5 . 1 1 31 31 CYS C C 31 174.401 174.401 177.275 -2.874 25830 2257 1 5 . 1 1 31 31 CYS CA C 31 51.858 51.858 63.444 -11.586 25830 2258 1 5 . 1 1 31 31 CYS CB C 31 29.979 29.979 25.690 4.289 25830 2259 1 5 . 1 1 31 31 CYS H H 31 7.083 7.083 8.040 -0.957 25830 2260 1 5 . 1 1 32 32 ALA N N 32 121.738 121.738 121.420 0.318 25830 2261 1 5 . 1 1 32 32 ALA HA H 32 4.070 4.070 3.978 0.092 25830 2262 1 5 . 1 1 32 32 ALA C C 32 177.730 177.730 179.492 -1.762 25830 2263 1 5 . 1 1 32 32 ALA CA C 32 52.557 52.557 55.282 -2.725 25830 2264 1 5 . 1 1 32 32 ALA CB C 32 15.204 15.204 17.990 -2.786 25830 2265 1 5 . 1 1 32 32 ALA H H 32 8.481 8.481 7.818 0.663 25830 2266 1 5 . 1 1 33 33 GLY N N 33 108.715 108.715 106.519 2.196 25830 2267 1 5 . 1 1 33 33 GLY C C 33 172.825 172.825 176.244 -3.419 25830 2268 1 5 . 1 1 33 33 GLY CA C 33 44.748 44.748 47.157 -2.409 25830 2269 1 5 . 1 1 33 33 GLY H H 33 7.683 7.683 7.758 -0.075 25830 2270 1 5 . 1 1 34 34 VAL N N 34 121.079 121.079 121.475 -0.396 25830 2271 1 5 . 1 1 34 34 VAL HA H 34 3.489 3.489 3.711 -0.222 25830 2272 1 5 . 1 1 34 34 VAL C C 34 174.764 174.764 178.508 -3.744 25830 2273 1 5 . 1 1 34 34 VAL CA C 34 63.930 63.930 66.348 -2.418 25830 2274 1 5 . 1 1 34 34 VAL CB C 34 29.037 29.037 31.648 -2.611 25830 2275 1 5 . 1 1 34 34 VAL H H 34 8.085 8.085 7.496 0.589 25830 2276 1 5 . 1 1 35 35 LYS N N 35 117.845 117.845 118.458 -0.613 25830 2277 1 5 . 1 1 35 35 LYS HA H 35 3.814 3.814 4.132 -0.318 25830 2278 1 5 . 1 1 35 35 LYS C C 35 176.677 176.677 178.628 -1.951 25830 2279 1 5 . 1 1 35 35 LYS CA C 35 57.849 57.849 58.745 -0.896 25830 2280 1 5 . 1 1 35 35 LYS CB C 35 29.635 29.635 31.820 -2.185 25830 2281 1 5 . 1 1 35 35 LYS H H 35 8.089 8.089 7.726 0.363 25830 2282 1 5 . 1 1 36 36 LYS N N 36 120.507 120.507 120.986 -0.479 25830 2283 1 5 . 1 1 36 36 LYS HA H 36 3.946 3.946 4.115 -0.169 25830 2284 1 5 . 1 1 36 36 LYS C C 36 176.481 176.481 177.847 -1.366 25830 2285 1 5 . 1 1 36 36 LYS CA C 36 56.889 56.889 58.348 -1.459 25830 2286 1 5 . 1 1 36 36 LYS CB C 36 29.999 29.999 31.973 -1.974 25830 2287 1 5 . 1 1 36 36 LYS H H 36 7.940 7.940 7.427 0.513 25830 2288 1 5 . 1 1 37 37 LEU N N 37 121.929 121.929 120.200 1.729 25830 2289 1 5 . 1 1 37 37 LEU HA H 37 4.012 4.012 3.984 0.028 25830 2290 1 5 . 1 1 37 37 LEU C C 37 175.490 175.490 178.106 -2.616 25830 2291 1 5 . 1 1 37 37 LEU CA C 37 55.567 55.567 57.490 -1.923 25830 2292 1 5 . 1 1 37 37 LEU CB C 37 38.621 38.621 41.008 -2.387 25830 2293 1 5 . 1 1 37 37 LEU H H 37 7.882 7.882 7.500 0.382 25830 2294 1 5 . 1 1 38 38 LEU N N 38 117.061 117.061 120.009 -2.948 25830 2295 1 5 . 1 1 38 38 LEU HA H 38 4.050 4.050 3.944 0.106 25830 2296 1 5 . 1 1 38 38 LEU C C 38 177.275 177.275 178.567 -1.292 25830 2297 1 5 . 1 1 38 38 LEU CA C 38 54.535 54.535 57.557 -3.022 25830 2298 1 5 . 1 1 38 38 LEU CB C 38 38.448 38.448 41.356 -2.908 25830 2299 1 5 . 1 1 38 38 LEU H H 38 7.812 7.812 7.698 0.114 25830 2300 1 5 . 1 1 39 39 ALA N N 39 119.986 119.986 119.109 0.877 25830 2301 1 5 . 1 1 39 39 ALA HA H 39 4.105 4.105 4.214 -0.109 25830 2302 1 5 . 1 1 39 39 ALA C C 39 175.721 175.721 178.253 -2.532 25830 2303 1 5 . 1 1 39 39 ALA CA C 39 50.910 50.910 52.813 -1.903 25830 2304 1 5 . 1 1 39 39 ALA CB C 39 15.545 15.545 19.195 -3.650 25830 2305 1 5 . 1 1 39 39 ALA H H 39 7.914 7.914 7.677 0.237 25830 2306 1 5 . 1 1 40 40 ALA N N 40 118.015 118.015 121.146 -3.131 25830 2307 1 5 . 1 1 40 40 ALA HA H 40 4.266 4.266 4.235 0.031 25830 2308 1 5 . 1 1 40 40 ALA C C 40 174.416 174.416 177.735 -3.319 25830 2309 1 5 . 1 1 40 40 ALA CA C 40 49.886 49.886 53.469 -3.583 25830 2310 1 5 . 1 1 40 40 ALA CB C 40 16.330 16.330 19.416 -3.086 25830 2311 1 5 . 1 1 40 40 ALA H H 40 7.302 7.302 7.429 -0.127 25830 2312 1 5 . 1 1 41 41 ALA N N 41 122.389 122.389 120.017 2.372 25830 2313 1 5 . 1 1 41 41 ALA HA H 41 4.605 4.605 4.283 0.322 25830 2314 1 5 . 1 1 41 41 ALA C C 41 172.709 172.709 177.224 -4.515 25830 2315 1 5 . 1 1 41 41 ALA CA C 41 47.917 47.917 52.164 -4.247 25830 2316 1 5 . 1 1 41 41 ALA CB C 41 15.072 15.072 19.827 -4.755 25830 2317 1 5 . 1 1 41 41 ALA H H 41 7.304 7.304 7.692 -0.388 25830 2318 1 5 . 1 1 42 42 THR N N 42 113.142 113.142 115.152 -2.010 25830 2319 1 5 . 1 1 42 42 THR HA H 42 4.422 4.422 4.314 0.108 25830 2320 1 5 . 1 1 42 42 THR C C 42 172.086 172.086 175.277 -3.191 25830 2321 1 5 . 1 1 42 42 THR CA C 42 59.772 59.772 63.966 -4.194 25830 2322 1 5 . 1 1 42 42 THR CB C 42 66.992 66.992 69.249 -2.257 25830 2323 1 5 . 1 1 42 42 THR H H 42 8.663 8.663 8.196 0.467 25830 2324 1 5 . 1 1 43 43 THR N N 43 111.501 111.501 112.730 -1.229 25830 2325 1 5 . 1 1 43 43 THR HA H 43 4.704 4.704 4.578 0.126 25830 2326 1 5 . 1 1 43 43 THR C C 43 172.283 172.283 175.156 -2.873 25830 2327 1 5 . 1 1 43 43 THR CA C 43 56.869 56.869 59.516 -2.647 25830 2328 1 5 . 1 1 43 43 THR CB C 43 69.211 69.211 71.950 -2.739 25830 2329 1 5 . 1 1 43 43 THR H H 43 7.705 7.705 7.489 0.216 25830 2330 1 5 . 1 1 44 44 THR N N 44 119.157 119.157 115.550 3.607 25830 2331 1 5 . 1 1 44 44 THR HA H 44 3.861 3.861 4.099 -0.238 25830 2332 1 5 . 1 1 44 44 THR CA C 44 66.420 66.420 66.764 -0.344 25830 2333 1 5 . 1 1 44 44 THR CB C 44 63.702 63.702 67.525 -3.823 25830 2334 1 5 . 1 1 44 44 THR H H 44 9.305 9.305 8.378 0.927 25830 2335 1 5 . 1 1 45 45 PRO HA H 45 4.345 4.345 3.659 0.686 25830 2336 1 5 . 1 1 45 45 PRO C C 45 177.238 177.238 178.064 -0.826 25830 2337 1 5 . 1 1 45 45 PRO CA C 45 63.192 63.192 64.687 -1.495 25830 2338 1 5 . 1 1 45 45 PRO CB C 45 28.232 28.232 31.035 -2.803 25830 2339 1 5 . 1 1 46 46 ASP N N 46 117.412 117.412 120.169 -2.757 25830 2340 1 5 . 1 1 46 46 ASP HA H 46 4.571 4.571 4.385 0.186 25830 2341 1 5 . 1 1 46 46 ASP C C 46 175.358 175.358 177.536 -2.178 25830 2342 1 5 . 1 1 46 46 ASP CA C 46 54.436 54.436 56.593 -2.157 25830 2343 1 5 . 1 1 46 46 ASP CB C 46 37.884 37.884 40.286 -2.402 25830 2344 1 5 . 1 1 46 46 ASP H H 46 7.238 7.238 8.178 -0.940 25830 2345 1 5 . 1 1 47 47 ARG N N 47 122.342 122.342 118.831 3.511 25830 2346 1 5 . 1 1 47 47 ARG HA H 47 3.754 3.754 4.002 -0.248 25830 2347 1 5 . 1 1 47 47 ARG C C 47 176.688 176.688 178.260 -1.572 25830 2348 1 5 . 1 1 47 47 ARG CA C 47 57.351 57.351 58.610 -1.259 25830 2349 1 5 . 1 1 47 47 ARG CB C 47 26.606 26.606 29.063 -2.457 25830 2350 1 5 . 1 1 47 47 ARG H H 47 8.383 8.383 7.318 1.065 25830 2351 1 5 . 1 1 48 48 GLN N N 48 120.813 120.813 118.900 1.913 25830 2352 1 5 . 1 1 48 48 GLN HA H 48 3.650 3.650 4.057 -0.407 25830 2353 1 5 . 1 1 48 48 GLN C C 48 175.354 175.354 177.824 -2.470 25830 2354 1 5 . 1 1 48 48 GLN CA C 48 56.742 56.742 58.581 -1.839 25830 2355 1 5 . 1 1 48 48 GLN CB C 48 25.406 25.406 28.648 -3.242 25830 2356 1 5 . 1 1 48 48 GLN H H 48 8.176 8.176 7.665 0.511 25830 2357 1 5 . 1 1 49 49 ALA N N 49 122.476 122.476 121.288 1.188 25830 2358 1 5 . 1 1 49 49 ALA HA H 49 4.224 4.224 4.003 0.221 25830 2359 1 5 . 1 1 49 49 ALA C C 49 177.581 177.581 179.015 -1.434 25830 2360 1 5 . 1 1 49 49 ALA CA C 49 52.410 52.410 54.679 -2.269 25830 2361 1 5 . 1 1 49 49 ALA CB C 49 15.305 15.305 18.033 -2.728 25830 2362 1 5 . 1 1 49 49 ALA H H 49 8.079 8.079 7.638 0.441 25830 2363 1 5 . 1 1 50 50 ALA N N 50 121.104 121.104 120.301 0.803 25830 2364 1 5 . 1 1 50 50 ALA HA H 50 3.686 3.686 3.915 -0.229 25830 2365 1 5 . 1 1 50 50 ALA C C 50 175.478 175.478 178.362 -2.884 25830 2366 1 5 . 1 1 50 50 ALA CA C 50 53.344 53.344 55.434 -2.090 25830 2367 1 5 . 1 1 50 50 ALA CB C 50 14.032 14.032 18.150 -4.118 25830 2368 1 5 . 1 1 50 50 ALA H H 50 8.494 8.494 7.617 0.877 25830 2369 1 5 . 1 1 51 51 CYS N N 51 117.063 117.063 116.717 0.346 25830 2370 1 5 . 1 1 51 51 CYS HA H 51 4.091 4.091 4.196 -0.105 25830 2371 1 5 . 1 1 51 51 CYS C C 51 173.692 173.692 176.618 -2.926 25830 2372 1 5 . 1 1 51 51 CYS CA C 51 57.660 57.660 60.941 -3.281 25830 2373 1 5 . 1 1 51 51 CYS CB C 51 34.278 34.278 25.677 8.601 25830 2374 1 5 . 1 1 51 51 CYS H H 51 7.466 7.466 8.039 -0.573 25830 2375 1 5 . 1 1 52 52 ASN N N 52 120.867 120.867 117.733 3.134 25830 2376 1 5 . 1 1 52 52 ASN HA H 52 4.403 4.403 4.496 -0.093 25830 2377 1 5 . 1 1 52 52 ASN C C 52 176.290 176.290 176.951 -0.661 25830 2378 1 5 . 1 1 52 52 ASN CA C 52 54.177 54.177 56.323 -2.146 25830 2379 1 5 . 1 1 52 52 ASN CB C 52 36.302 36.302 37.880 -1.578 25830 2380 1 5 . 1 1 52 52 ASN H H 52 8.164 8.164 7.442 0.722 25830 2381 1 5 . 1 1 53 53 CYS N N 53 119.542 119.542 121.099 -1.557 25830 2382 1 5 . 1 1 53 53 CYS HA H 53 4.543 4.543 4.184 0.359 25830 2383 1 5 . 1 1 53 53 CYS C C 53 175.294 175.294 176.844 -1.550 25830 2384 1 5 . 1 1 53 53 CYS CA C 53 53.637 53.637 61.983 -8.346 25830 2385 1 5 . 1 1 53 53 CYS CB C 53 34.302 34.302 26.149 8.153 25830 2386 1 5 . 1 1 53 53 CYS H H 53 8.974 8.974 7.834 1.140 25830 2387 1 5 . 1 1 54 54 LEU N N 54 124.510 124.510 117.505 7.005 25830 2388 1 5 . 1 1 54 54 LEU HA H 54 3.964 3.964 3.983 -0.019 25830 2389 1 5 . 1 1 54 54 LEU C C 54 175.082 175.082 179.390 -4.308 25830 2390 1 5 . 1 1 54 54 LEU CA C 54 55.725 55.725 57.313 -1.588 25830 2391 1 5 . 1 1 54 54 LEU CB C 54 39.035 39.035 40.970 -1.935 25830 2392 1 5 . 1 1 54 54 LEU H H 54 8.794 8.794 7.927 0.867 25830 2393 1 5 . 1 1 55 55 LYS N N 55 120.615 120.615 118.917 1.698 25830 2394 1 5 . 1 1 55 55 LYS HA H 55 3.929 3.929 4.081 -0.152 25830 2395 1 5 . 1 1 55 55 LYS C C 55 176.860 176.860 178.573 -1.713 25830 2396 1 5 . 1 1 55 55 LYS CA C 55 57.089 57.089 58.967 -1.878 25830 2397 1 5 . 1 1 55 55 LYS CB C 55 30.420 30.420 32.099 -1.679 25830 2398 1 5 . 1 1 55 55 LYS H H 55 8.119 8.119 7.453 0.666 25830 2399 1 5 . 1 1 56 56 SER N N 56 113.653 113.653 115.216 -1.563 25830 2400 1 5 . 1 1 56 56 SER HA H 56 4.202 4.202 4.290 -0.088 25830 2401 1 5 . 1 1 56 56 SER C C 56 175.009 175.009 176.921 -1.912 25830 2402 1 5 . 1 1 56 56 SER CA C 56 58.397 58.397 61.097 -2.700 25830 2403 1 5 . 1 1 56 56 SER CB C 56 60.063 60.063 62.959 -2.896 25830 2404 1 5 . 1 1 56 56 SER H H 56 7.746 7.746 7.630 0.116 25830 2405 1 5 . 1 1 57 57 ALA N N 57 125.184 125.184 123.074 2.110 25830 2406 1 5 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.121 -0.048 25830 2407 1 5 . 1 1 57 57 ALA C C 57 177.735 177.735 179.372 -1.637 25830 2408 1 5 . 1 1 57 57 ALA CA C 57 52.222 52.222 54.558 -2.336 25830 2409 1 5 . 1 1 57 57 ALA CB C 57 14.710 14.710 18.347 -3.637 25830 2410 1 5 . 1 1 57 57 ALA H H 57 8.370 8.370 8.002 0.368 25830 2411 1 5 . 1 1 58 58 ALA N N 58 119.288 119.288 120.737 -1.449 25830 2412 1 5 . 1 1 58 58 ALA HA H 58 3.873 3.873 4.123 -0.250 25830 2413 1 5 . 1 1 58 58 ALA C C 58 176.201 176.201 179.091 -2.890 25830 2414 1 5 . 1 1 58 58 ALA CA C 58 52.154 52.154 54.197 -2.043 25830 2415 1 5 . 1 1 58 58 ALA CB C 58 13.944 13.944 18.559 -4.615 25830 2416 1 5 . 1 1 58 58 ALA H H 58 8.355 8.355 7.687 0.668 25830 2417 1 5 . 1 1 59 59 GLY N N 59 101.896 101.896 105.587 -3.691 25830 2418 1 5 . 1 1 59 59 GLY C C 59 171.619 171.619 174.654 -3.035 25830 2419 1 5 . 1 1 59 59 GLY CA C 59 43.245 43.245 45.691 -2.446 25830 2420 1 5 . 1 1 59 59 GLY H H 59 7.613 7.613 7.979 -0.366 25830 2421 1 5 . 1 1 60 60 SER N N 60 114.297 114.297 114.939 -0.642 25830 2422 1 5 . 1 1 60 60 SER HA H 60 4.548 4.548 4.578 -0.030 25830 2423 1 5 . 1 1 60 60 SER C C 60 171.232 171.232 174.307 -3.075 25830 2424 1 5 . 1 1 60 60 SER CA C 60 55.817 55.817 57.477 -1.660 25830 2425 1 5 . 1 1 60 60 SER CB C 60 61.793 61.793 64.096 -2.303 25830 2426 1 5 . 1 1 60 60 SER H H 60 7.570 7.570 7.558 0.012 25830 2427 1 5 . 1 1 61 61 ILE N N 61 125.096 125.096 126.112 -1.016 25830 2428 1 5 . 1 1 61 61 ILE HA H 61 4.272 4.272 4.517 -0.245 25830 2429 1 5 . 1 1 61 61 ILE C C 61 170.966 170.966 174.392 -3.426 25830 2430 1 5 . 1 1 61 61 ILE CA C 61 56.364 56.364 58.117 -1.753 25830 2431 1 5 . 1 1 61 61 ILE CB C 61 36.307 36.307 39.087 -2.780 25830 2432 1 5 . 1 1 61 61 ILE H H 61 7.222 7.222 7.468 -0.246 25830 2433 1 5 . 1 1 62 62 PRO HA H 62 4.317 4.317 4.396 -0.079 25830 2434 1 5 . 1 1 62 62 PRO C C 62 173.935 173.935 176.185 -2.250 25830 2435 1 5 . 1 1 62 62 PRO CA C 62 60.634 60.634 63.221 -2.587 25830 2436 1 5 . 1 1 62 62 PRO CB C 62 29.399 29.399 31.782 -2.383 25830 2437 1 5 . 1 1 63 63 LYS N N 63 115.837 115.837 117.088 -1.251 25830 2438 1 5 . 1 1 63 63 LYS HA H 63 3.916 3.916 3.813 0.103 25830 2439 1 5 . 1 1 63 63 LYS C C 63 172.800 172.800 176.211 -3.411 25830 2440 1 5 . 1 1 63 63 LYS CA C 63 53.303 53.303 56.452 -3.149 25830 2441 1 5 . 1 1 63 63 LYS CB C 63 26.973 26.973 29.912 -2.939 25830 2442 1 5 . 1 1 63 63 LYS H H 63 8.584 8.584 8.547 0.037 25830 2443 1 5 . 1 1 64 64 LEU N N 64 118.672 118.672 120.863 -2.191 25830 2444 1 5 . 1 1 64 64 LEU HA H 64 3.625 3.625 4.043 -0.418 25830 2445 1 5 . 1 1 64 64 LEU C C 64 173.690 173.690 177.024 -3.334 25830 2446 1 5 . 1 1 64 64 LEU CA C 64 53.929 53.929 55.775 -1.846 25830 2447 1 5 . 1 1 64 64 LEU CB C 64 39.878 39.878 42.333 -2.455 25830 2448 1 5 . 1 1 64 64 LEU H H 64 7.116 7.116 7.477 -0.361 25830 2449 1 5 . 1 1 65 65 ASN N N 65 125.562 125.562 126.167 -0.605 25830 2450 1 5 . 1 1 65 65 ASN HA H 65 4.879 4.879 4.908 -0.029 25830 2451 1 5 . 1 1 65 65 ASN C C 65 174.338 174.338 176.077 -1.739 25830 2452 1 5 . 1 1 65 65 ASN CA C 65 48.862 48.862 51.211 -2.349 25830 2453 1 5 . 1 1 65 65 ASN CB C 65 34.238 34.238 38.218 -3.980 25830 2454 1 5 . 1 1 65 65 ASN H H 65 9.348 9.348 8.217 1.131 25830 2455 1 5 . 1 1 66 66 THR N N 66 118.448 118.448 118.415 0.033 25830 2456 1 5 . 1 1 66 66 THR HA H 66 3.840 3.840 3.904 -0.064 25830 2457 1 5 . 1 1 66 66 THR C C 66 174.820 174.820 176.070 -1.250 25830 2458 1 5 . 1 1 66 66 THR CA C 66 62.576 62.576 65.925 -3.349 25830 2459 1 5 . 1 1 66 66 THR CB C 66 65.348 65.348 68.480 -3.132 25830 2460 1 5 . 1 1 66 66 THR H H 66 8.735 8.735 8.159 0.576 25830 2461 1 5 . 1 1 67 67 ASN N N 67 121.545 121.545 120.100 1.445 25830 2462 1 5 . 1 1 67 67 ASN HA H 67 4.460 4.460 4.464 -0.004 25830 2463 1 5 . 1 1 67 67 ASN C C 67 174.825 174.825 177.956 -3.131 25830 2464 1 5 . 1 1 67 67 ASN CA C 67 53.781 53.781 55.923 -2.142 25830 2465 1 5 . 1 1 67 67 ASN CB C 67 35.495 35.495 37.989 -2.494 25830 2466 1 5 . 1 1 67 67 ASN H H 67 8.229 8.229 8.038 0.191 25830 2467 1 5 . 1 1 68 68 ASN N N 68 122.399 122.399 118.955 3.444 25830 2468 1 5 . 1 1 68 68 ASN HA H 68 4.463 4.463 4.479 -0.016 25830 2469 1 5 . 1 1 68 68 ASN C C 68 175.357 175.357 176.007 -0.650 25830 2470 1 5 . 1 1 68 68 ASN CA C 68 52.009 52.009 55.337 -3.328 25830 2471 1 5 . 1 1 68 68 ASN CB C 68 32.853 32.853 37.890 -5.037 25830 2472 1 5 . 1 1 68 68 ASN H H 68 7.153 7.153 7.884 -0.731 25830 2473 1 5 . 1 1 69 69 ALA N N 69 123.588 123.588 120.896 2.692 25830 2474 1 5 . 1 1 69 69 ALA HA H 69 3.930 3.930 4.216 -0.286 25830 2475 1 5 . 1 1 69 69 ALA C C 69 175.919 175.919 178.096 -2.177 25830 2476 1 5 . 1 1 69 69 ALA CA C 69 53.087 53.087 54.252 -1.165 25830 2477 1 5 . 1 1 69 69 ALA CB C 69 14.867 14.867 18.256 -3.389 25830 2478 1 5 . 1 1 69 69 ALA H H 69 7.942 7.942 7.374 0.568 25830 2479 1 5 . 1 1 70 70 ALA N N 70 117.736 117.736 119.614 -1.878 25830 2480 1 5 . 1 1 70 70 ALA HA H 70 4.250 4.250 4.286 -0.036 25830 2481 1 5 . 1 1 70 70 ALA C C 70 176.704 176.704 178.834 -2.130 25830 2482 1 5 . 1 1 70 70 ALA CA C 70 51.706 51.706 54.226 -2.520 25830 2483 1 5 . 1 1 70 70 ALA CB C 70 15.507 15.507 19.288 -3.781 25830 2484 1 5 . 1 1 70 70 ALA H H 70 7.574 7.574 7.430 0.144 25830 2485 1 5 . 1 1 71 71 ALA N N 71 117.858 117.858 120.983 -3.125 25830 2486 1 5 . 1 1 71 71 ALA HA H 71 4.321 4.321 4.405 -0.084 25830 2487 1 5 . 1 1 71 71 ALA C C 71 175.190 175.190 179.264 -4.074 25830 2488 1 5 . 1 1 71 71 ALA CA C 71 50.142 50.142 53.816 -3.674 25830 2489 1 5 . 1 1 71 71 ALA CB C 71 16.908 16.908 18.394 -1.486 25830 2490 1 5 . 1 1 71 71 ALA H H 71 7.676 7.676 7.332 0.344 25830 2491 1 5 . 1 1 72 72 LEU N N 72 117.566 117.566 121.744 -4.178 25830 2492 1 5 . 1 1 72 72 LEU HA H 72 4.097 4.097 4.266 -0.169 25830 2493 1 5 . 1 1 72 72 LEU C C 72 170.406 170.406 175.835 -5.429 25830 2494 1 5 . 1 1 72 72 LEU CA C 72 57.688 57.688 59.407 -1.719 25830 2495 1 5 . 1 1 72 72 LEU CB C 72 36.632 36.632 39.356 -2.724 25830 2496 1 5 . 1 1 72 72 LEU H H 72 7.494 7.494 7.778 -0.284 25830 2497 1 5 . 1 1 73 73 PRO HA H 73 3.793 3.793 4.343 -0.550 25830 2498 1 5 . 1 1 73 73 PRO C C 73 176.416 176.416 179.068 -2.652 25830 2499 1 5 . 1 1 73 73 PRO CA C 73 64.431 64.431 65.480 -1.048 25830 2500 1 5 . 1 1 73 73 PRO CB C 73 27.928 27.928 30.952 -3.024 25830 2501 1 5 . 1 1 74 74 GLY N N 74 106.170 106.170 107.470 -1.300 25830 2502 1 5 . 1 1 74 74 GLY C C 74 176.081 176.081 176.544 -0.463 25830 2503 1 5 . 1 1 74 74 GLY CA C 74 44.577 44.577 47.128 -2.551 25830 2504 1 5 . 1 1 74 74 GLY H H 74 8.374 8.374 7.908 0.466 25830 2505 1 5 . 1 1 75 75 LYS N N 75 121.379 121.379 119.438 1.941 25830 2506 1 5 . 1 1 75 75 LYS HA H 75 4.162 4.162 4.163 -0.001 25830 2507 1 5 . 1 1 75 75 LYS C C 75 175.735 175.735 178.145 -2.410 25830 2508 1 5 . 1 1 75 75 LYS CA C 75 56.053 56.053 57.810 -1.757 25830 2509 1 5 . 1 1 75 75 LYS CB C 75 30.087 30.087 31.968 -1.881 25830 2510 1 5 . 1 1 75 75 LYS H H 75 8.417 8.417 8.303 0.114 25830 2511 1 5 . 1 1 76 76 CYS N N 76 115.021 115.021 115.609 -0.588 25830 2512 1 5 . 1 1 76 76 CYS HA H 76 4.895 4.895 4.468 0.427 25830 2513 1 5 . 1 1 76 76 CYS C C 76 172.300 172.300 175.217 -2.917 25830 2514 1 5 . 1 1 76 76 CYS CA C 76 49.730 49.730 59.755 -10.025 25830 2515 1 5 . 1 1 76 76 CYS CB C 76 32.817 32.817 27.899 4.918 25830 2516 1 5 . 1 1 76 76 CYS H H 76 7.756 7.756 7.634 0.122 25830 2517 1 5 . 1 1 77 77 GLY N N 77 109.352 109.352 107.056 2.296 25830 2518 1 5 . 1 1 77 77 GLY C C 77 171.753 171.753 174.148 -2.395 25830 2519 1 5 . 1 1 77 77 GLY CA C 77 43.794 43.794 45.188 -1.394 25830 2520 1 5 . 1 1 77 77 GLY H H 77 7.894 7.894 8.000 -0.106 25830 2521 1 5 . 1 1 78 78 VAL N N 78 115.528 115.528 116.537 -1.009 25830 2522 1 5 . 1 1 78 78 VAL HA H 78 4.491 4.491 4.477 0.014 25830 2523 1 5 . 1 1 78 78 VAL C C 78 171.256 171.256 174.664 -3.408 25830 2524 1 5 . 1 1 78 78 VAL CA C 78 56.800 56.800 61.292 -4.492 25830 2525 1 5 . 1 1 78 78 VAL CB C 78 31.741 31.741 32.898 -1.157 25830 2526 1 5 . 1 1 78 78 VAL H H 78 8.137 8.137 7.502 0.635 25830 2527 1 5 . 1 1 79 79 SER N N 79 116.418 116.418 120.396 -3.978 25830 2528 1 5 . 1 1 79 79 SER HA H 79 4.583 4.583 4.760 -0.177 25830 2529 1 5 . 1 1 79 79 SER C C 79 170.681 170.681 174.170 -3.489 25830 2530 1 5 . 1 1 79 79 SER CA C 79 54.258 54.258 57.776 -3.518 25830 2531 1 5 . 1 1 79 79 SER CB C 79 61.468 61.468 64.522 -3.054 25830 2532 1 5 . 1 1 79 79 SER H H 79 8.124 8.124 8.317 -0.193 25830 2533 1 5 . 1 1 80 80 ILE N N 80 120.257 120.257 118.393 1.864 25830 2534 1 5 . 1 1 80 80 ILE HA H 80 4.639 4.639 4.723 -0.084 25830 2535 1 5 . 1 1 80 80 ILE C C 80 172.830 172.830 173.917 -1.087 25830 2536 1 5 . 1 1 80 80 ILE CA C 80 55.333 55.333 59.199 -3.866 25830 2537 1 5 . 1 1 80 80 ILE CB C 80 38.093 38.093 38.791 -0.698 25830 2538 1 5 . 1 1 80 80 ILE H H 80 8.089 8.089 8.343 -0.254 25830 2539 1 5 . 1 1 81 81 PRO HA H 81 4.547 4.547 4.291 0.256 25830 2540 1 5 . 1 1 81 81 PRO C C 81 171.325 171.325 175.695 -4.370 25830 2541 1 5 . 1 1 81 81 PRO CA C 81 60.903 60.903 64.695 -3.792 25830 2542 1 5 . 1 1 81 81 PRO CB C 81 27.693 27.693 31.920 -4.227 25830 2543 1 5 . 1 1 82 82 TYR N N 82 115.259 115.259 115.938 -0.679 25830 2544 1 5 . 1 1 82 82 TYR HA H 82 4.732 4.732 4.784 -0.052 25830 2545 1 5 . 1 1 82 82 TYR C C 82 170.187 170.187 173.893 -3.706 25830 2546 1 5 . 1 1 82 82 TYR CA C 82 51.930 51.930 54.995 -3.065 25830 2547 1 5 . 1 1 82 82 TYR CB C 82 37.275 37.275 40.229 -2.954 25830 2548 1 5 . 1 1 82 82 TYR H H 82 6.642 6.642 7.263 -0.621 25830 2549 1 5 . 1 1 83 83 LYS N N 83 116.992 116.992 118.694 -1.702 25830 2550 1 5 . 1 1 83 83 LYS HA H 83 4.464 4.464 4.512 -0.048 25830 2551 1 5 . 1 1 83 83 LYS C C 83 174.342 174.342 175.318 -0.976 25830 2552 1 5 . 1 1 83 83 LYS CA C 83 51.653 51.653 54.976 -3.323 25830 2553 1 5 . 1 1 83 83 LYS CB C 83 31.513 31.513 36.041 -4.528 25830 2554 1 5 . 1 1 83 83 LYS H H 83 8.301 8.301 8.465 -0.164 25830 2555 1 5 . 1 1 84 84 ILE N N 84 126.906 126.906 122.493 4.413 25830 2556 1 5 . 1 1 84 84 ILE HA H 84 3.913 3.913 4.194 -0.281 25830 2557 1 5 . 1 1 84 84 ILE C C 84 170.945 170.945 175.501 -4.556 25830 2558 1 5 . 1 1 84 84 ILE CA C 84 59.761 59.761 61.534 -1.773 25830 2559 1 5 . 1 1 84 84 ILE CB C 84 33.534 33.534 37.201 -3.667 25830 2560 1 5 . 1 1 84 84 ILE H H 84 9.304 9.304 8.485 0.820 25830 2561 1 5 . 1 1 85 85 SER N N 85 120.246 120.246 123.202 -2.956 25830 2562 1 5 . 1 1 85 85 SER HA H 85 4.563 4.563 4.803 -0.240 25830 2563 1 5 . 1 1 85 85 SER C C 85 171.695 171.695 175.224 -3.529 25830 2564 1 5 . 1 1 85 85 SER CA C 85 53.394 53.394 57.564 -4.170 25830 2565 1 5 . 1 1 85 85 SER CB C 85 61.638 61.638 66.032 -4.394 25830 2566 1 5 . 1 1 85 85 SER H H 85 7.256 7.256 7.970 -0.714 25830 2567 1 5 . 1 1 86 86 THR N N 86 115.458 115.458 116.650 -1.192 25830 2568 1 5 . 1 1 86 86 THR HA H 86 4.147 4.147 4.106 0.041 25830 2569 1 5 . 1 1 86 86 THR C C 86 172.663 172.663 175.479 -2.816 25830 2570 1 5 . 1 1 86 86 THR CA C 86 61.527 61.527 64.008 -2.481 25830 2571 1 5 . 1 1 86 86 THR CB C 86 65.858 65.858 68.749 -2.891 25830 2572 1 5 . 1 1 86 86 THR H H 86 8.819 8.819 8.620 0.199 25830 2573 1 5 . 1 1 87 87 SER N N 87 114.029 114.029 114.803 -0.774 25830 2574 1 5 . 1 1 87 87 SER HA H 87 4.524 4.524 4.390 0.134 25830 2575 1 5 . 1 1 87 87 SER C C 87 172.010 172.010 174.990 -2.980 25830 2576 1 5 . 1 1 87 87 SER CA C 87 55.408 55.408 59.113 -3.705 25830 2577 1 5 . 1 1 87 87 SER CB C 87 61.144 61.144 63.472 -2.328 25830 2578 1 5 . 1 1 87 87 SER H H 87 8.239 8.239 7.885 0.354 25830 2579 1 5 . 1 1 88 88 THR N N 88 120.831 120.831 120.453 0.378 25830 2580 1 5 . 1 1 88 88 THR HA H 88 3.808 3.808 4.260 -0.452 25830 2581 1 5 . 1 1 88 88 THR C C 88 181.273 181.273 173.945 7.328 25830 2582 1 5 . 1 1 88 88 THR CA C 88 61.409 61.409 63.212 -1.803 25830 2583 1 5 . 1 1 88 88 THR CB C 88 67.556 67.556 69.518 -1.962 25830 2584 1 5 . 1 1 88 88 THR H H 88 7.142 7.142 7.308 -0.166 25830 2585 1 5 . 1 1 89 89 ASN N N 89 124.818 124.818 124.789 0.029 25830 2586 1 5 . 1 1 89 89 ASN HA H 89 4.819 4.819 4.756 0.063 25830 2587 1 5 . 1 1 89 89 ASN C C 89 173.325 173.325 175.368 -2.043 25830 2588 1 5 . 1 1 89 89 ASN CA C 89 48.483 48.483 51.998 -3.515 25830 2589 1 5 . 1 1 89 89 ASN CB C 89 34.958 34.958 37.465 -2.507 25830 2590 1 5 . 1 1 89 89 ASN H H 89 8.754 8.754 8.635 0.119 25830 2591 1 5 . 1 1 90 90 CYS N N 90 123.361 123.361 123.184 0.177 25830 2592 1 5 . 1 1 90 90 CYS HA H 90 4.174 4.174 3.950 0.224 25830 2593 1 5 . 1 1 90 90 CYS C C 90 172.573 172.573 176.188 -3.615 25830 2594 1 5 . 1 1 90 90 CYS CA C 90 54.158 54.158 60.644 -6.486 25830 2595 1 5 . 1 1 90 90 CYS CB C 90 36.687 36.687 26.291 10.396 25830 2596 1 5 . 1 1 90 90 CYS H H 90 8.790 8.790 8.325 0.465 25830 2597 1 5 . 1 1 91 91 ASN N N 91 115.199 115.199 116.945 -1.746 25830 2598 1 5 . 1 1 91 91 ASN HA H 91 4.578 4.578 4.516 0.062 25830 2599 1 5 . 1 1 91 91 ASN C C 91 173.584 173.584 176.137 -2.553 25830 2600 1 5 . 1 1 91 91 ASN CA C 91 52.264 52.264 55.436 -3.172 25830 2601 1 5 . 1 1 91 91 ASN CB C 91 35.690 35.690 38.440 -2.750 25830 2602 1 5 . 1 1 91 91 ASN H H 91 8.320 8.320 8.099 0.221 25830 2603 1 5 . 1 1 92 92 THR N N 92 107.497 107.497 111.025 -3.528 25830 2604 1 5 . 1 1 92 92 THR HA H 92 4.388 4.388 4.341 0.047 25830 2605 1 5 . 1 1 92 92 THR C C 92 171.702 171.702 174.582 -2.880 25830 2606 1 5 . 1 1 92 92 THR CA C 92 58.280 58.280 61.557 -3.277 25830 2607 1 5 . 1 1 92 92 THR CB C 92 66.107 66.107 69.046 -2.939 25830 2608 1 5 . 1 1 92 92 THR H H 92 7.338 7.338 7.832 -0.494 25830 2609 1 5 . 1 1 93 93 VAL N N 93 123.151 123.151 122.495 0.656 25830 2610 1 5 . 1 1 93 93 VAL HA H 93 3.667 3.667 4.030 -0.363 25830 2611 1 5 . 1 1 93 93 VAL C C 93 172.207 172.207 175.661 -3.454 25830 2612 1 5 . 1 1 93 93 VAL CA C 93 59.846 59.846 61.985 -2.139 25830 2613 1 5 . 1 1 93 93 VAL CB C 93 29.999 29.999 32.934 -2.935 25830 2614 1 5 . 1 1 93 93 VAL H H 93 6.806 6.806 7.389 -0.583 25830 2615 1 5 . 1 1 94 94 ARG N N 94 127.129 127.129 124.858 2.271 25830 2616 1 5 . 1 1 94 94 ARG HA H 94 4.339 4.339 3.896 0.443 25830 2617 1 5 . 1 1 94 94 ARG C C 94 171.859 171.859 175.967 -4.108 25830 2618 1 5 . 1 1 94 94 ARG CA C 94 52.395 52.395 55.087 -2.692 25830 2619 1 5 . 1 1 94 94 ARG CB C 94 26.973 26.973 30.258 -3.285 25830 2620 1 5 . 1 1 94 94 ARG H H 94 8.201 8.201 8.317 -0.116 25830 2621 1 6 . 1 1 2 2 LEU N N 2 123.438 123.438 121.474 1.964 25830 2622 1 6 . 1 1 2 2 LEU HA H 2 4.344 4.344 4.582 -0.238 25830 2623 1 6 . 1 1 2 2 LEU C C 2 172.388 172.388 175.996 -3.608 25830 2624 1 6 . 1 1 2 2 LEU CA C 2 52.560 52.560 55.024 -2.464 25830 2625 1 6 . 1 1 2 2 LEU CB C 2 40.603 40.603 42.227 -1.623 25830 2626 1 6 . 1 1 2 2 LEU H H 2 8.368 8.368 7.992 0.376 25830 2627 1 6 . 1 1 3 3 SER N N 3 119.868 119.868 119.674 0.194 25830 2628 1 6 . 1 1 3 3 SER HA H 3 4.748 4.748 4.682 0.066 25830 2629 1 6 . 1 1 3 3 SER C C 3 173.163 173.163 175.713 -2.550 25830 2630 1 6 . 1 1 3 3 SER CA C 3 53.523 53.523 57.456 -3.933 25830 2631 1 6 . 1 1 3 3 SER CB C 3 62.412 62.412 65.476 -3.064 25830 2632 1 6 . 1 1 3 3 SER H H 3 8.550 8.550 8.349 0.201 25830 2633 1 6 . 1 1 4 4 CYS N N 4 120.408 120.408 123.016 -2.608 25830 2634 1 6 . 1 1 4 4 CYS HA H 4 4.586 4.586 4.254 0.332 25830 2635 1 6 . 1 1 4 4 CYS C C 4 175.067 175.067 176.875 -1.808 25830 2636 1 6 . 1 1 4 4 CYS CA C 4 52.166 52.166 61.641 -9.475 25830 2637 1 6 . 1 1 4 4 CYS CB C 4 30.372 30.372 27.334 3.038 25830 2638 1 6 . 1 1 4 4 CYS H H 4 9.222 9.222 8.942 0.280 25830 2639 1 6 . 1 1 5 5 GLY N N 5 110.663 110.663 107.177 3.486 25830 2640 1 6 . 1 1 5 5 GLY C C 5 174.023 174.023 175.268 -1.245 25830 2641 1 6 . 1 1 5 5 GLY CA C 5 44.577 44.577 47.008 -2.431 25830 2642 1 6 . 1 1 5 5 GLY H H 5 8.721 8.721 8.503 0.218 25830 2643 1 6 . 1 1 6 6 THR N N 6 118.884 118.884 115.974 2.910 25830 2644 1 6 . 1 1 6 6 THR HA H 6 4.031 4.031 4.419 -0.388 25830 2645 1 6 . 1 1 6 6 THR C C 6 172.782 172.782 176.558 -3.776 25830 2646 1 6 . 1 1 6 6 THR CA C 6 62.801 62.801 63.954 -1.153 25830 2647 1 6 . 1 1 6 6 THR CB C 6 65.896 65.896 69.523 -3.627 25830 2648 1 6 . 1 1 6 6 THR H H 6 7.676 7.676 7.793 -0.117 25830 2649 1 6 . 1 1 7 7 VAL N N 7 120.789 120.789 123.268 -2.479 25830 2650 1 6 . 1 1 7 7 VAL HA H 7 3.607 3.607 3.820 -0.213 25830 2651 1 6 . 1 1 7 7 VAL C C 7 174.356 174.356 177.398 -3.042 25830 2652 1 6 . 1 1 7 7 VAL CA C 7 63.774 63.774 65.951 -2.176 25830 2653 1 6 . 1 1 7 7 VAL CB C 7 28.610 28.610 31.638 -3.028 25830 2654 1 6 . 1 1 7 7 VAL H H 7 7.280 7.280 7.237 0.043 25830 2655 1 6 . 1 1 8 8 SER N N 8 114.047 114.047 114.115 -0.068 25830 2656 1 6 . 1 1 8 8 SER HA H 8 3.858 3.858 4.111 -0.253 25830 2657 1 6 . 1 1 8 8 SER C C 8 173.948 173.948 175.923 -1.975 25830 2658 1 6 . 1 1 8 8 SER CA C 8 59.791 59.791 60.722 -0.931 25830 2659 1 6 . 1 1 8 8 SER CB C 8 59.242 59.242 62.884 -3.642 25830 2660 1 6 . 1 1 8 8 SER H H 8 8.501 8.501 7.650 0.851 25830 2661 1 6 . 1 1 9 9 ALA N N 9 123.669 123.669 123.138 0.531 25830 2662 1 6 . 1 1 9 9 ALA HA H 9 4.165 4.165 4.102 0.063 25830 2663 1 6 . 1 1 9 9 ALA C C 9 177.740 177.740 179.216 -1.476 25830 2664 1 6 . 1 1 9 9 ALA CA C 9 52.218 52.218 54.936 -2.718 25830 2665 1 6 . 1 1 9 9 ALA CB C 9 15.348 15.348 18.252 -2.904 25830 2666 1 6 . 1 1 9 9 ALA H H 9 7.685 7.685 7.724 -0.039 25830 2667 1 6 . 1 1 10 10 ASP N N 10 118.653 118.653 117.227 1.426 25830 2668 1 6 . 1 1 10 10 ASP HA H 10 4.414 4.414 4.482 -0.068 25830 2669 1 6 . 1 1 10 10 ASP C C 10 173.327 173.327 177.770 -4.443 25830 2670 1 6 . 1 1 10 10 ASP CA C 10 53.357 53.357 56.120 -2.764 25830 2671 1 6 . 1 1 10 10 ASP CB C 10 35.579 35.579 40.364 -4.785 25830 2672 1 6 . 1 1 10 10 ASP H H 10 8.161 8.161 7.830 0.331 25830 2673 1 6 . 1 1 11 11 LEU N N 11 115.104 115.104 120.294 -5.190 25830 2674 1 6 . 1 1 11 11 LEU HA H 11 4.183 4.183 4.149 0.034 25830 2675 1 6 . 1 1 11 11 LEU C C 11 175.206 175.206 178.338 -3.132 25830 2676 1 6 . 1 1 11 11 LEU CA C 11 51.360 51.360 56.441 -5.080 25830 2677 1 6 . 1 1 11 11 LEU CB C 11 40.185 40.185 41.814 -1.629 25830 2678 1 6 . 1 1 11 11 LEU H H 11 7.731 7.731 7.305 0.426 25830 2679 1 6 . 1 1 12 12 ALA N N 12 124.133 124.133 122.837 1.296 25830 2680 1 6 . 1 1 12 12 ALA HA H 12 4.309 4.309 4.092 0.217 25830 2681 1 6 . 1 1 12 12 ALA C C 12 174.540 174.540 177.399 -2.859 25830 2682 1 6 . 1 1 12 12 ALA CA C 12 54.075 54.075 56.834 -2.759 25830 2683 1 6 . 1 1 12 12 ALA CB C 12 13.256 13.256 16.106 -2.850 25830 2684 1 6 . 1 1 12 12 ALA H H 12 7.481 7.481 7.833 -0.352 25830 2685 1 6 . 1 1 13 13 PRO HA H 13 4.674 4.674 4.482 0.192 25830 2686 1 6 . 1 1 13 13 PRO C C 13 174.824 174.824 176.774 -1.950 25830 2687 1 6 . 1 1 13 13 PRO CA C 13 61.982 61.982 64.556 -2.574 25830 2688 1 6 . 1 1 13 13 PRO CB C 13 28.804 28.804 31.218 -2.414 25830 2689 1 6 . 1 1 14 14 CYS N N 14 114.225 114.225 116.930 -2.705 25830 2690 1 6 . 1 1 14 14 CYS HA H 14 4.722 4.722 4.640 0.082 25830 2691 1 6 . 1 1 14 14 CYS C C 14 172.376 172.376 176.857 -4.481 25830 2692 1 6 . 1 1 14 14 CYS CA C 14 51.481 51.481 60.550 -9.069 25830 2693 1 6 . 1 1 14 14 CYS CB C 14 39.508 39.508 27.413 12.095 25830 2694 1 6 . 1 1 14 14 CYS H H 14 8.938 8.938 7.662 1.276 25830 2695 1 6 . 1 1 15 15 VAL N N 15 122.488 122.488 122.490 -0.002 25830 2696 1 6 . 1 1 15 15 VAL HA H 15 3.350 3.350 3.608 -0.258 25830 2697 1 6 . 1 1 15 15 VAL C C 15 173.644 173.644 177.720 -4.076 25830 2698 1 6 . 1 1 15 15 VAL CA C 15 66.608 66.608 65.713 0.895 25830 2699 1 6 . 1 1 15 15 VAL CB C 15 28.692 28.692 30.749 -2.057 25830 2700 1 6 . 1 1 15 15 VAL H H 15 7.767 7.767 8.303 -0.536 25830 2701 1 6 . 1 1 16 16 THR N N 16 112.169 112.169 114.500 -2.331 25830 2702 1 6 . 1 1 16 16 THR HA H 16 4.012 4.012 3.913 0.099 25830 2703 1 6 . 1 1 16 16 THR C C 16 175.021 175.021 176.207 -1.186 25830 2704 1 6 . 1 1 16 16 THR CA C 16 63.879 63.879 66.393 -2.514 25830 2705 1 6 . 1 1 16 16 THR CB C 16 65.364 65.364 68.873 -3.509 25830 2706 1 6 . 1 1 16 16 THR H H 16 8.258 8.258 7.802 0.456 25830 2707 1 6 . 1 1 17 17 TYR N N 17 124.563 124.563 120.618 3.945 25830 2708 1 6 . 1 1 17 17 TYR HA H 17 4.265 4.265 4.362 -0.097 25830 2709 1 6 . 1 1 17 17 TYR C C 17 174.326 174.326 177.680 -3.354 25830 2710 1 6 . 1 1 17 17 TYR CA C 17 58.001 58.001 60.140 -2.139 25830 2711 1 6 . 1 1 17 17 TYR CB C 17 35.252 35.252 38.377 -3.125 25830 2712 1 6 . 1 1 17 17 TYR H H 17 8.280 8.280 8.107 0.173 25830 2713 1 6 . 1 1 18 18 LEU N N 18 119.213 119.213 119.127 0.086 25830 2714 1 6 . 1 1 18 18 LEU HA H 18 3.630 3.630 3.747 -0.117 25830 2715 1 6 . 1 1 18 18 LEU C C 18 172.858 172.858 177.900 -5.042 25830 2716 1 6 . 1 1 18 18 LEU CA C 18 54.171 54.171 56.937 -2.766 25830 2717 1 6 . 1 1 18 18 LEU CB C 18 38.310 38.310 41.726 -3.416 25830 2718 1 6 . 1 1 18 18 LEU H H 18 8.394 8.394 8.023 0.371 25830 2719 1 6 . 1 1 19 19 GLN N N 19 114.782 114.782 114.392 0.390 25830 2720 1 6 . 1 1 19 19 GLN HA H 19 4.582 4.582 4.448 0.134 25830 2721 1 6 . 1 1 19 19 GLN C C 19 172.754 172.754 175.454 -2.700 25830 2722 1 6 . 1 1 19 19 GLN CA C 19 52.320 52.320 54.950 -2.630 25830 2723 1 6 . 1 1 19 19 GLN CB C 19 27.954 27.954 29.584 -1.630 25830 2724 1 6 . 1 1 19 19 GLN H H 19 7.319 7.319 7.602 -0.283 25830 2725 1 6 . 1 1 20 20 ALA N N 20 126.473 126.473 124.314 2.159 25830 2726 1 6 . 1 1 20 20 ALA HA H 20 4.494 4.494 4.604 -0.110 25830 2727 1 6 . 1 1 20 20 ALA C C 20 171.072 171.072 175.582 -4.510 25830 2728 1 6 . 1 1 20 20 ALA CA C 20 48.862 48.862 50.255 -1.393 25830 2729 1 6 . 1 1 20 20 ALA CB C 20 15.610 15.610 18.561 -2.951 25830 2730 1 6 . 1 1 20 20 ALA H H 20 7.292 7.292 7.216 0.075 25830 2731 1 6 . 1 1 21 21 PRO HA H 21 4.440 4.440 4.441 -0.001 25830 2732 1 6 . 1 1 21 21 PRO C C 21 174.052 174.052 177.196 -3.144 25830 2733 1 6 . 1 1 21 21 PRO CA C 21 59.522 59.522 61.860 -2.338 25830 2734 1 6 . 1 1 21 21 PRO CB C 21 29.853 29.853 32.474 -2.621 25830 2735 1 6 . 1 1 22 22 ASN N N 22 117.448 117.448 118.000 -0.552 25830 2736 1 6 . 1 1 22 22 ASN HA H 22 4.754 4.754 4.593 0.161 25830 2737 1 6 . 1 1 22 22 ASN C C 22 173.299 173.299 175.949 -2.650 25830 2738 1 6 . 1 1 22 22 ASN CA C 22 51.478 51.478 55.296 -3.818 25830 2739 1 6 . 1 1 22 22 ASN CB C 22 35.291 35.291 38.103 -2.812 25830 2740 1 6 . 1 1 22 22 ASN H H 22 8.466 8.466 8.755 -0.289 25830 2741 1 6 . 1 1 23 23 ASN N N 23 113.171 113.171 115.986 -2.815 25830 2742 1 6 . 1 1 23 23 ASN HA H 23 4.555 4.555 4.651 -0.096 25830 2743 1 6 . 1 1 23 23 ASN C C 23 172.210 172.210 175.051 -2.841 25830 2744 1 6 . 1 1 23 23 ASN CA C 23 50.626 50.626 53.291 -2.665 25830 2745 1 6 . 1 1 23 23 ASN CB C 23 34.278 34.278 38.350 -4.072 25830 2746 1 6 . 1 1 23 23 ASN H H 23 8.187 8.187 8.180 0.007 25830 2747 1 6 . 1 1 24 24 ALA N N 24 122.578 122.578 122.965 -0.387 25830 2748 1 6 . 1 1 24 24 ALA HA H 24 4.394 4.394 4.526 -0.132 25830 2749 1 6 . 1 1 24 24 ALA C C 24 173.708 173.708 176.530 -2.822 25830 2750 1 6 . 1 1 24 24 ALA CA C 24 49.696 49.696 52.284 -2.588 25830 2751 1 6 . 1 1 24 24 ALA CB C 24 18.288 18.288 20.180 -1.892 25830 2752 1 6 . 1 1 24 24 ALA H H 24 7.381 7.381 7.526 -0.145 25830 2753 1 6 . 1 1 25 25 SER N N 25 115.237 115.237 115.313 -0.076 25830 2754 1 6 . 1 1 25 25 SER HA H 25 4.922 4.922 4.613 0.309 25830 2755 1 6 . 1 1 25 25 SER C C 25 181.107 181.107 172.346 8.761 25830 2756 1 6 . 1 1 25 25 SER CA C 25 53.033 53.033 55.456 -2.423 25830 2757 1 6 . 1 1 25 25 SER CB C 25 61.549 61.549 64.698 -3.149 25830 2758 1 6 . 1 1 25 25 SER H H 25 8.649 8.649 8.296 0.353 25830 2759 1 6 . 1 1 26 26 PRO HA H 26 4.014 4.014 4.077 -0.063 25830 2760 1 6 . 1 1 26 26 PRO CA C 26 57.292 57.292 60.881 -3.589 25830 2761 1 6 . 1 1 26 26 PRO CB C 26 27.450 27.450 30.904 -3.454 25830 2762 1 6 . 1 1 27 27 PRO HA H 27 4.881 4.881 4.689 0.192 25830 2763 1 6 . 1 1 27 27 PRO CA C 27 58.500 58.500 60.724 -2.224 25830 2764 1 6 . 1 1 27 27 PRO CB C 27 28.489 28.489 30.746 -2.257 25830 2765 1 6 . 1 1 28 28 PRO HA H 28 4.421 4.421 4.331 0.090 25830 2766 1 6 . 1 1 28 28 PRO CA C 28 64.505 64.505 66.528 -2.023 25830 2767 1 6 . 1 1 28 28 PRO CB C 28 26.217 26.217 30.095 -3.878 25830 2768 1 6 . 1 1 29 29 PRO HA H 29 4.477 4.477 4.402 0.075 25830 2769 1 6 . 1 1 29 29 PRO C C 29 177.330 177.330 178.541 -1.211 25830 2770 1 6 . 1 1 29 29 PRO CA C 29 62.883 62.883 65.152 -2.269 25830 2771 1 6 . 1 1 29 29 PRO CB C 29 28.301 28.301 31.190 -2.889 25830 2772 1 6 . 1 1 30 30 CYS N N 30 114.694 114.694 117.975 -3.281 25830 2773 1 6 . 1 1 30 30 CYS HA H 30 4.456 4.456 4.288 0.168 25830 2774 1 6 . 1 1 30 30 CYS C C 30 172.260 172.260 176.710 -4.450 25830 2775 1 6 . 1 1 30 30 CYS CA C 30 55.585 55.585 61.496 -5.911 25830 2776 1 6 . 1 1 30 30 CYS CB C 30 34.602 34.602 25.942 8.660 25830 2777 1 6 . 1 1 30 30 CYS H H 30 7.637 7.637 7.620 0.017 25830 2778 1 6 . 1 1 31 31 CYS N N 31 116.335 116.335 120.666 -4.331 25830 2779 1 6 . 1 1 31 31 CYS HA H 31 4.607 4.607 4.006 0.601 25830 2780 1 6 . 1 1 31 31 CYS C C 31 174.401 174.401 177.035 -2.634 25830 2781 1 6 . 1 1 31 31 CYS CA C 31 51.858 51.858 63.792 -11.934 25830 2782 1 6 . 1 1 31 31 CYS CB C 31 29.979 29.979 25.964 4.015 25830 2783 1 6 . 1 1 31 31 CYS H H 31 7.083 7.083 7.999 -0.916 25830 2784 1 6 . 1 1 32 32 ALA N N 32 121.738 121.738 121.403 0.335 25830 2785 1 6 . 1 1 32 32 ALA HA H 32 4.070 4.070 3.968 0.102 25830 2786 1 6 . 1 1 32 32 ALA C C 32 177.730 177.730 179.431 -1.701 25830 2787 1 6 . 1 1 32 32 ALA CA C 32 52.557 52.557 55.235 -2.678 25830 2788 1 6 . 1 1 32 32 ALA CB C 32 15.204 15.204 17.981 -2.777 25830 2789 1 6 . 1 1 32 32 ALA H H 32 8.481 8.481 7.841 0.639 25830 2790 1 6 . 1 1 33 33 GLY N N 33 108.715 108.715 106.784 1.931 25830 2791 1 6 . 1 1 33 33 GLY C C 33 172.825 172.825 176.181 -3.356 25830 2792 1 6 . 1 1 33 33 GLY CA C 33 44.748 44.748 47.222 -2.474 25830 2793 1 6 . 1 1 33 33 GLY H H 33 7.683 7.683 7.806 -0.123 25830 2794 1 6 . 1 1 34 34 VAL N N 34 121.079 121.079 121.325 -0.246 25830 2795 1 6 . 1 1 34 34 VAL HA H 34 3.489 3.489 3.678 -0.189 25830 2796 1 6 . 1 1 34 34 VAL C C 34 174.764 174.764 178.569 -3.805 25830 2797 1 6 . 1 1 34 34 VAL CA C 34 63.930 63.930 66.286 -2.356 25830 2798 1 6 . 1 1 34 34 VAL CB C 34 29.037 29.037 31.648 -2.611 25830 2799 1 6 . 1 1 34 34 VAL H H 34 8.085 8.085 7.653 0.432 25830 2800 1 6 . 1 1 35 35 LYS N N 35 117.845 117.845 119.160 -1.315 25830 2801 1 6 . 1 1 35 35 LYS HA H 35 3.814 3.814 4.050 -0.236 25830 2802 1 6 . 1 1 35 35 LYS C C 35 176.677 176.677 178.864 -2.187 25830 2803 1 6 . 1 1 35 35 LYS CA C 35 57.849 57.849 59.287 -1.438 25830 2804 1 6 . 1 1 35 35 LYS CB C 35 29.635 29.635 31.856 -2.221 25830 2805 1 6 . 1 1 35 35 LYS H H 35 8.089 8.089 7.559 0.530 25830 2806 1 6 . 1 1 36 36 LYS N N 36 120.507 120.507 120.539 -0.032 25830 2807 1 6 . 1 1 36 36 LYS HA H 36 3.946 3.946 4.027 -0.081 25830 2808 1 6 . 1 1 36 36 LYS C C 36 176.481 176.481 178.332 -1.851 25830 2809 1 6 . 1 1 36 36 LYS CA C 36 56.889 56.889 59.124 -2.235 25830 2810 1 6 . 1 1 36 36 LYS CB C 36 29.999 29.999 32.326 -2.327 25830 2811 1 6 . 1 1 36 36 LYS H H 36 7.940 7.940 7.763 0.177 25830 2812 1 6 . 1 1 37 37 LEU N N 37 121.929 121.929 120.284 1.645 25830 2813 1 6 . 1 1 37 37 LEU HA H 37 4.012 4.012 3.990 0.022 25830 2814 1 6 . 1 1 37 37 LEU C C 37 175.490 175.490 178.468 -2.978 25830 2815 1 6 . 1 1 37 37 LEU CA C 37 55.567 55.567 57.963 -2.396 25830 2816 1 6 . 1 1 37 37 LEU CB C 37 38.621 38.621 41.483 -2.861 25830 2817 1 6 . 1 1 37 37 LEU H H 37 7.882 7.882 7.506 0.376 25830 2818 1 6 . 1 1 38 38 LEU N N 38 117.061 117.061 119.107 -2.046 25830 2819 1 6 . 1 1 38 38 LEU HA H 38 4.050 4.050 3.897 0.153 25830 2820 1 6 . 1 1 38 38 LEU C C 38 177.275 177.275 177.892 -0.617 25830 2821 1 6 . 1 1 38 38 LEU CA C 38 54.535 54.535 58.218 -3.683 25830 2822 1 6 . 1 1 38 38 LEU CB C 38 38.448 38.448 41.595 -3.147 25830 2823 1 6 . 1 1 38 38 LEU H H 38 7.812 7.812 7.957 -0.145 25830 2824 1 6 . 1 1 39 39 ALA N N 39 119.986 119.986 118.078 1.908 25830 2825 1 6 . 1 1 39 39 ALA HA H 39 4.105 4.105 4.245 -0.140 25830 2826 1 6 . 1 1 39 39 ALA C C 39 175.721 175.721 178.360 -2.639 25830 2827 1 6 . 1 1 39 39 ALA CA C 39 50.910 50.910 53.030 -2.120 25830 2828 1 6 . 1 1 39 39 ALA CB C 39 15.545 15.545 18.971 -3.426 25830 2829 1 6 . 1 1 39 39 ALA H H 39 7.914 7.914 7.560 0.354 25830 2830 1 6 . 1 1 40 40 ALA N N 40 118.015 118.015 122.572 -4.557 25830 2831 1 6 . 1 1 40 40 ALA HA H 40 4.266 4.266 4.224 0.042 25830 2832 1 6 . 1 1 40 40 ALA C C 40 174.416 174.416 178.021 -3.605 25830 2833 1 6 . 1 1 40 40 ALA CA C 40 49.886 49.886 53.299 -3.413 25830 2834 1 6 . 1 1 40 40 ALA CB C 40 16.330 16.330 19.244 -2.914 25830 2835 1 6 . 1 1 40 40 ALA H H 40 7.302 7.302 7.703 -0.401 25830 2836 1 6 . 1 1 41 41 ALA N N 41 122.389 122.389 119.309 3.080 25830 2837 1 6 . 1 1 41 41 ALA HA H 41 4.605 4.605 4.240 0.365 25830 2838 1 6 . 1 1 41 41 ALA C C 41 172.709 172.709 176.200 -3.491 25830 2839 1 6 . 1 1 41 41 ALA CA C 41 47.917 47.917 52.342 -4.425 25830 2840 1 6 . 1 1 41 41 ALA CB C 41 15.072 15.072 19.851 -4.779 25830 2841 1 6 . 1 1 41 41 ALA H H 41 7.304 7.304 7.974 -0.670 25830 2842 1 6 . 1 1 42 42 THR N N 42 113.142 113.142 111.507 1.635 25830 2843 1 6 . 1 1 42 42 THR HA H 42 4.422 4.422 4.395 0.027 25830 2844 1 6 . 1 1 42 42 THR C C 42 172.086 172.086 174.365 -2.279 25830 2845 1 6 . 1 1 42 42 THR CA C 42 59.772 59.772 61.932 -2.160 25830 2846 1 6 . 1 1 42 42 THR CB C 42 66.992 66.992 69.970 -2.978 25830 2847 1 6 . 1 1 42 42 THR H H 42 8.663 8.663 8.085 0.578 25830 2848 1 6 . 1 1 43 43 THR N N 43 111.501 111.501 113.388 -1.887 25830 2849 1 6 . 1 1 43 43 THR HA H 43 4.704 4.704 4.563 0.141 25830 2850 1 6 . 1 1 43 43 THR C C 43 172.283 172.283 175.290 -3.007 25830 2851 1 6 . 1 1 43 43 THR CA C 43 56.869 56.869 59.331 -2.462 25830 2852 1 6 . 1 1 43 43 THR CB C 43 69.211 69.211 71.546 -2.335 25830 2853 1 6 . 1 1 43 43 THR H H 43 7.705 7.705 7.546 0.159 25830 2854 1 6 . 1 1 44 44 THR N N 44 119.157 119.157 115.493 3.664 25830 2855 1 6 . 1 1 44 44 THR HA H 44 3.861 3.861 4.285 -0.424 25830 2856 1 6 . 1 1 44 44 THR CA C 44 66.420 66.420 67.585 -1.165 25830 2857 1 6 . 1 1 44 44 THR CB C 44 63.702 63.702 66.999 -3.297 25830 2858 1 6 . 1 1 44 44 THR H H 44 9.305 9.305 8.408 0.897 25830 2859 1 6 . 1 1 45 45 PRO HA H 45 4.345 4.345 4.570 -0.225 25830 2860 1 6 . 1 1 45 45 PRO C C 45 177.238 177.238 178.110 -0.872 25830 2861 1 6 . 1 1 45 45 PRO CA C 45 63.192 63.192 65.137 -1.945 25830 2862 1 6 . 1 1 45 45 PRO CB C 45 28.232 28.232 31.382 -3.150 25830 2863 1 6 . 1 1 46 46 ASP N N 46 117.412 117.412 119.598 -2.186 25830 2864 1 6 . 1 1 46 46 ASP HA H 46 4.571 4.571 4.429 0.141 25830 2865 1 6 . 1 1 46 46 ASP C C 46 175.358 175.358 178.174 -2.816 25830 2866 1 6 . 1 1 46 46 ASP CA C 46 54.436 54.436 56.754 -2.318 25830 2867 1 6 . 1 1 46 46 ASP CB C 46 37.884 37.884 40.431 -2.546 25830 2868 1 6 . 1 1 46 46 ASP H H 46 7.238 7.238 8.189 -0.951 25830 2869 1 6 . 1 1 47 47 ARG N N 47 122.342 122.342 118.211 4.131 25830 2870 1 6 . 1 1 47 47 ARG HA H 47 3.754 3.754 4.059 -0.305 25830 2871 1 6 . 1 1 47 47 ARG C C 47 176.688 176.688 178.735 -2.047 25830 2872 1 6 . 1 1 47 47 ARG CA C 47 57.351 57.351 58.820 -1.469 25830 2873 1 6 . 1 1 47 47 ARG CB C 47 26.606 26.606 29.995 -3.389 25830 2874 1 6 . 1 1 47 47 ARG H H 47 8.383 8.383 7.516 0.867 25830 2875 1 6 . 1 1 48 48 GLN N N 48 120.813 120.813 118.244 2.569 25830 2876 1 6 . 1 1 48 48 GLN HA H 48 3.650 3.650 4.003 -0.353 25830 2877 1 6 . 1 1 48 48 GLN C C 48 175.354 175.354 177.522 -2.168 25830 2878 1 6 . 1 1 48 48 GLN CA C 48 56.742 56.742 58.301 -1.559 25830 2879 1 6 . 1 1 48 48 GLN CB C 48 25.406 25.406 28.107 -2.701 25830 2880 1 6 . 1 1 48 48 GLN H H 48 8.176 8.176 7.665 0.511 25830 2881 1 6 . 1 1 49 49 ALA N N 49 122.476 122.476 121.249 1.227 25830 2882 1 6 . 1 1 49 49 ALA HA H 49 4.224 4.224 3.981 0.243 25830 2883 1 6 . 1 1 49 49 ALA C C 49 177.581 177.581 179.119 -1.538 25830 2884 1 6 . 1 1 49 49 ALA CA C 49 52.410 52.410 54.721 -2.311 25830 2885 1 6 . 1 1 49 49 ALA CB C 49 15.305 15.305 18.012 -2.707 25830 2886 1 6 . 1 1 49 49 ALA H H 49 8.079 8.079 7.469 0.610 25830 2887 1 6 . 1 1 50 50 ALA N N 50 121.104 121.104 120.248 0.856 25830 2888 1 6 . 1 1 50 50 ALA HA H 50 3.686 3.686 3.947 -0.261 25830 2889 1 6 . 1 1 50 50 ALA C C 50 175.478 175.478 178.533 -3.055 25830 2890 1 6 . 1 1 50 50 ALA CA C 50 53.344 53.344 55.219 -1.875 25830 2891 1 6 . 1 1 50 50 ALA CB C 50 14.032 14.032 17.964 -3.932 25830 2892 1 6 . 1 1 50 50 ALA H H 50 8.494 8.494 7.615 0.879 25830 2893 1 6 . 1 1 51 51 CYS N N 51 117.063 117.063 115.893 1.170 25830 2894 1 6 . 1 1 51 51 CYS HA H 51 4.091 4.091 4.152 -0.061 25830 2895 1 6 . 1 1 51 51 CYS C C 51 173.692 173.692 176.301 -2.609 25830 2896 1 6 . 1 1 51 51 CYS CA C 51 57.660 57.660 60.676 -3.016 25830 2897 1 6 . 1 1 51 51 CYS CB C 51 34.278 34.278 25.358 8.919 25830 2898 1 6 . 1 1 51 51 CYS H H 51 7.466 7.466 7.939 -0.473 25830 2899 1 6 . 1 1 52 52 ASN N N 52 120.867 120.867 117.890 2.977 25830 2900 1 6 . 1 1 52 52 ASN HA H 52 4.403 4.403 4.687 -0.284 25830 2901 1 6 . 1 1 52 52 ASN C C 52 176.290 176.290 177.232 -0.942 25830 2902 1 6 . 1 1 52 52 ASN CA C 52 54.177 54.177 55.855 -1.678 25830 2903 1 6 . 1 1 52 52 ASN CB C 52 36.302 36.302 38.239 -1.937 25830 2904 1 6 . 1 1 52 52 ASN H H 52 8.164 8.164 7.385 0.779 25830 2905 1 6 . 1 1 53 53 CYS N N 53 119.542 119.542 119.263 0.279 25830 2906 1 6 . 1 1 53 53 CYS HA H 53 4.543 4.543 4.203 0.340 25830 2907 1 6 . 1 1 53 53 CYS C C 53 175.294 175.294 176.787 -1.493 25830 2908 1 6 . 1 1 53 53 CYS CA C 53 53.637 53.637 62.765 -9.128 25830 2909 1 6 . 1 1 53 53 CYS CB C 53 34.302 34.302 26.359 7.943 25830 2910 1 6 . 1 1 53 53 CYS H H 53 8.974 8.974 8.046 0.928 25830 2911 1 6 . 1 1 54 54 LEU N N 54 124.510 124.510 118.096 6.414 25830 2912 1 6 . 1 1 54 54 LEU HA H 54 3.964 3.964 3.991 -0.027 25830 2913 1 6 . 1 1 54 54 LEU C C 54 175.082 175.082 179.250 -4.168 25830 2914 1 6 . 1 1 54 54 LEU CA C 54 55.725 55.725 57.317 -1.592 25830 2915 1 6 . 1 1 54 54 LEU CB C 54 39.035 39.035 41.033 -1.998 25830 2916 1 6 . 1 1 54 54 LEU H H 54 8.794 8.794 8.093 0.701 25830 2917 1 6 . 1 1 55 55 LYS N N 55 120.615 120.615 118.165 2.450 25830 2918 1 6 . 1 1 55 55 LYS HA H 55 3.929 3.929 3.987 -0.058 25830 2919 1 6 . 1 1 55 55 LYS C C 55 176.860 176.860 178.279 -1.419 25830 2920 1 6 . 1 1 55 55 LYS CA C 55 57.089 57.089 59.236 -2.147 25830 2921 1 6 . 1 1 55 55 LYS CB C 55 30.420 30.420 32.326 -1.906 25830 2922 1 6 . 1 1 55 55 LYS H H 55 8.119 8.119 7.434 0.685 25830 2923 1 6 . 1 1 56 56 SER N N 56 113.653 113.653 114.960 -1.307 25830 2924 1 6 . 1 1 56 56 SER HA H 56 4.202 4.202 4.292 -0.090 25830 2925 1 6 . 1 1 56 56 SER C C 56 175.009 175.009 176.772 -1.763 25830 2926 1 6 . 1 1 56 56 SER CA C 56 58.397 58.397 60.867 -2.470 25830 2927 1 6 . 1 1 56 56 SER CB C 56 60.063 60.063 63.153 -3.090 25830 2928 1 6 . 1 1 56 56 SER H H 56 7.746 7.746 7.566 0.180 25830 2929 1 6 . 1 1 57 57 ALA N N 57 125.184 125.184 123.543 1.641 25830 2930 1 6 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.174 -0.101 25830 2931 1 6 . 1 1 57 57 ALA C C 57 177.735 177.735 179.192 -1.457 25830 2932 1 6 . 1 1 57 57 ALA CA C 57 52.222 52.222 54.328 -2.106 25830 2933 1 6 . 1 1 57 57 ALA CB C 57 14.710 14.710 18.238 -3.528 25830 2934 1 6 . 1 1 57 57 ALA H H 57 8.370 8.370 7.796 0.574 25830 2935 1 6 . 1 1 58 58 ALA N N 58 119.288 119.288 121.338 -2.050 25830 2936 1 6 . 1 1 58 58 ALA HA H 58 3.873 3.873 4.112 -0.238 25830 2937 1 6 . 1 1 58 58 ALA C C 58 176.201 176.201 179.622 -3.421 25830 2938 1 6 . 1 1 58 58 ALA CA C 58 52.154 52.154 54.517 -2.363 25830 2939 1 6 . 1 1 58 58 ALA CB C 58 13.944 13.944 18.453 -4.509 25830 2940 1 6 . 1 1 58 58 ALA H H 58 8.355 8.355 7.774 0.581 25830 2941 1 6 . 1 1 59 59 GLY N N 59 101.896 101.896 103.628 -1.732 25830 2942 1 6 . 1 1 59 59 GLY C C 59 171.619 171.619 175.408 -3.789 25830 2943 1 6 . 1 1 59 59 GLY CA C 59 43.245 43.245 44.962 -1.717 25830 2944 1 6 . 1 1 59 59 GLY H H 59 7.613 7.613 7.687 -0.074 25830 2945 1 6 . 1 1 60 60 SER N N 60 114.297 114.297 115.322 -1.025 25830 2946 1 6 . 1 1 60 60 SER HA H 60 4.548 4.548 4.576 -0.028 25830 2947 1 6 . 1 1 60 60 SER C C 60 171.232 171.232 173.885 -2.653 25830 2948 1 6 . 1 1 60 60 SER CA C 60 55.817 55.817 58.186 -2.369 25830 2949 1 6 . 1 1 60 60 SER CB C 60 61.793 61.793 63.889 -2.096 25830 2950 1 6 . 1 1 60 60 SER H H 60 7.570 7.570 7.908 -0.338 25830 2951 1 6 . 1 1 61 61 ILE N N 61 125.096 125.096 124.727 0.369 25830 2952 1 6 . 1 1 61 61 ILE HA H 61 4.272 4.272 4.406 -0.134 25830 2953 1 6 . 1 1 61 61 ILE C C 61 170.966 170.966 174.233 -3.267 25830 2954 1 6 . 1 1 61 61 ILE CA C 61 56.364 56.364 58.260 -1.896 25830 2955 1 6 . 1 1 61 61 ILE CB C 61 36.307 36.307 38.722 -2.415 25830 2956 1 6 . 1 1 61 61 ILE H H 61 7.222 7.222 7.403 -0.181 25830 2957 1 6 . 1 1 62 62 PRO HA H 62 4.317 4.317 4.480 -0.163 25830 2958 1 6 . 1 1 62 62 PRO C C 62 173.935 173.935 176.361 -2.426 25830 2959 1 6 . 1 1 62 62 PRO CA C 62 60.634 60.634 63.376 -2.742 25830 2960 1 6 . 1 1 62 62 PRO CB C 62 29.399 29.399 31.580 -2.181 25830 2961 1 6 . 1 1 63 63 LYS N N 63 115.837 115.837 117.503 -1.666 25830 2962 1 6 . 1 1 63 63 LYS HA H 63 3.916 3.916 3.827 0.089 25830 2963 1 6 . 1 1 63 63 LYS C C 63 172.800 172.800 176.292 -3.492 25830 2964 1 6 . 1 1 63 63 LYS CA C 63 53.303 53.303 56.390 -3.087 25830 2965 1 6 . 1 1 63 63 LYS CB C 63 26.973 26.973 29.824 -2.851 25830 2966 1 6 . 1 1 63 63 LYS H H 63 8.584 8.584 8.557 0.027 25830 2967 1 6 . 1 1 64 64 LEU N N 64 118.672 118.672 121.128 -2.456 25830 2968 1 6 . 1 1 64 64 LEU HA H 64 3.625 3.625 4.119 -0.494 25830 2969 1 6 . 1 1 64 64 LEU C C 64 173.690 173.690 176.613 -2.923 25830 2970 1 6 . 1 1 64 64 LEU CA C 64 53.929 53.929 55.820 -1.891 25830 2971 1 6 . 1 1 64 64 LEU CB C 64 39.878 39.878 42.179 -2.301 25830 2972 1 6 . 1 1 64 64 LEU H H 64 7.116 7.116 7.617 -0.501 25830 2973 1 6 . 1 1 65 65 ASN N N 65 125.562 125.562 125.179 0.383 25830 2974 1 6 . 1 1 65 65 ASN HA H 65 4.879 4.879 4.977 -0.098 25830 2975 1 6 . 1 1 65 65 ASN C C 65 174.338 174.338 176.143 -1.805 25830 2976 1 6 . 1 1 65 65 ASN CA C 65 48.862 48.862 51.562 -2.700 25830 2977 1 6 . 1 1 65 65 ASN CB C 65 34.238 34.238 38.660 -4.422 25830 2978 1 6 . 1 1 65 65 ASN H H 65 9.348 9.348 8.667 0.681 25830 2979 1 6 . 1 1 66 66 THR N N 66 118.448 118.448 117.257 1.191 25830 2980 1 6 . 1 1 66 66 THR HA H 66 3.840 3.840 3.872 -0.032 25830 2981 1 6 . 1 1 66 66 THR C C 66 174.820 174.820 175.809 -0.989 25830 2982 1 6 . 1 1 66 66 THR CA C 66 62.576 62.576 65.266 -2.690 25830 2983 1 6 . 1 1 66 66 THR CB C 66 65.348 65.348 68.631 -3.283 25830 2984 1 6 . 1 1 66 66 THR H H 66 8.735 8.735 8.443 0.292 25830 2985 1 6 . 1 1 67 67 ASN N N 67 121.545 121.545 119.366 2.179 25830 2986 1 6 . 1 1 67 67 ASN HA H 67 4.460 4.460 4.460 0.000 25830 2987 1 6 . 1 1 67 67 ASN C C 67 174.825 174.825 178.078 -3.253 25830 2988 1 6 . 1 1 67 67 ASN CA C 67 53.781 53.781 55.916 -2.135 25830 2989 1 6 . 1 1 67 67 ASN CB C 67 35.495 35.495 38.593 -3.098 25830 2990 1 6 . 1 1 67 67 ASN H H 67 8.229 8.229 7.965 0.264 25830 2991 1 6 . 1 1 68 68 ASN N N 68 122.399 122.399 118.081 4.318 25830 2992 1 6 . 1 1 68 68 ASN HA H 68 4.463 4.463 4.462 0.001 25830 2993 1 6 . 1 1 68 68 ASN C C 68 175.357 175.357 176.223 -0.866 25830 2994 1 6 . 1 1 68 68 ASN CA C 68 52.009 52.009 55.588 -3.579 25830 2995 1 6 . 1 1 68 68 ASN CB C 68 32.853 32.853 37.925 -5.072 25830 2996 1 6 . 1 1 68 68 ASN H H 68 7.153 7.153 8.089 -0.936 25830 2997 1 6 . 1 1 69 69 ALA N N 69 123.588 123.588 119.630 3.958 25830 2998 1 6 . 1 1 69 69 ALA HA H 69 3.930 3.930 4.162 -0.232 25830 2999 1 6 . 1 1 69 69 ALA C C 69 175.919 175.919 178.651 -2.732 25830 3000 1 6 . 1 1 69 69 ALA CA C 69 53.087 53.087 54.376 -1.289 25830 3001 1 6 . 1 1 69 69 ALA CB C 69 14.867 14.867 18.367 -3.500 25830 3002 1 6 . 1 1 69 69 ALA H H 69 7.942 7.942 7.304 0.638 25830 3003 1 6 . 1 1 70 70 ALA N N 70 117.736 117.736 119.792 -2.056 25830 3004 1 6 . 1 1 70 70 ALA HA H 70 4.250 4.250 4.122 0.128 25830 3005 1 6 . 1 1 70 70 ALA C C 70 176.704 176.704 178.522 -1.818 25830 3006 1 6 . 1 1 70 70 ALA CA C 70 51.706 51.706 54.211 -2.505 25830 3007 1 6 . 1 1 70 70 ALA CB C 70 15.507 15.507 19.125 -3.618 25830 3008 1 6 . 1 1 70 70 ALA H H 70 7.574 7.574 7.446 0.128 25830 3009 1 6 . 1 1 71 71 ALA N N 71 117.858 117.858 121.298 -3.440 25830 3010 1 6 . 1 1 71 71 ALA HA H 71 4.321 4.321 4.333 -0.012 25830 3011 1 6 . 1 1 71 71 ALA C C 71 175.190 175.190 179.303 -4.113 25830 3012 1 6 . 1 1 71 71 ALA CA C 71 50.142 50.142 53.912 -3.770 25830 3013 1 6 . 1 1 71 71 ALA CB C 71 16.908 16.908 18.398 -1.490 25830 3014 1 6 . 1 1 71 71 ALA H H 71 7.676 7.676 7.358 0.318 25830 3015 1 6 . 1 1 72 72 LEU N N 72 117.566 117.566 121.211 -3.645 25830 3016 1 6 . 1 1 72 72 LEU HA H 72 4.097 4.097 3.959 0.138 25830 3017 1 6 . 1 1 72 72 LEU C C 72 170.406 170.406 175.596 -5.190 25830 3018 1 6 . 1 1 72 72 LEU CA C 72 57.688 57.688 60.141 -2.453 25830 3019 1 6 . 1 1 72 72 LEU CB C 72 36.632 36.632 40.252 -3.620 25830 3020 1 6 . 1 1 72 72 LEU H H 72 7.494 7.494 7.842 -0.348 25830 3021 1 6 . 1 1 73 73 PRO HA H 73 3.793 3.793 4.263 -0.470 25830 3022 1 6 . 1 1 73 73 PRO C C 73 176.416 176.416 178.910 -2.494 25830 3023 1 6 . 1 1 73 73 PRO CA C 73 64.431 64.431 65.281 -0.850 25830 3024 1 6 . 1 1 73 73 PRO CB C 73 27.928 27.928 31.096 -3.167 25830 3025 1 6 . 1 1 74 74 GLY N N 74 106.170 106.170 107.656 -1.486 25830 3026 1 6 . 1 1 74 74 GLY C C 74 176.081 176.081 176.477 -0.396 25830 3027 1 6 . 1 1 74 74 GLY CA C 74 44.577 44.577 46.970 -2.393 25830 3028 1 6 . 1 1 74 74 GLY H H 74 8.374 8.374 7.712 0.662 25830 3029 1 6 . 1 1 75 75 LYS N N 75 121.379 121.379 118.990 2.389 25830 3030 1 6 . 1 1 75 75 LYS HA H 75 4.162 4.162 4.117 0.045 25830 3031 1 6 . 1 1 75 75 LYS C C 75 175.735 175.735 177.808 -2.073 25830 3032 1 6 . 1 1 75 75 LYS CA C 75 56.053 56.053 58.243 -2.190 25830 3033 1 6 . 1 1 75 75 LYS CB C 75 30.087 30.087 32.027 -1.940 25830 3034 1 6 . 1 1 75 75 LYS H H 75 8.417 8.417 8.315 0.102 25830 3035 1 6 . 1 1 76 76 CYS N N 76 115.021 115.021 114.588 0.433 25830 3036 1 6 . 1 1 76 76 CYS HA H 76 4.895 4.895 4.447 0.448 25830 3037 1 6 . 1 1 76 76 CYS C C 76 172.300 172.300 175.210 -2.910 25830 3038 1 6 . 1 1 76 76 CYS CA C 76 49.730 49.730 59.187 -9.457 25830 3039 1 6 . 1 1 76 76 CYS CB C 76 32.817 32.817 27.907 4.910 25830 3040 1 6 . 1 1 76 76 CYS H H 76 7.756 7.756 7.696 0.060 25830 3041 1 6 . 1 1 77 77 GLY N N 77 109.352 109.352 108.178 1.174 25830 3042 1 6 . 1 1 77 77 GLY C C 77 171.753 171.753 174.031 -2.278 25830 3043 1 6 . 1 1 77 77 GLY CA C 77 43.794 43.794 45.138 -1.344 25830 3044 1 6 . 1 1 77 77 GLY H H 77 7.894 7.894 8.069 -0.175 25830 3045 1 6 . 1 1 78 78 VAL N N 78 115.528 115.528 117.864 -2.336 25830 3046 1 6 . 1 1 78 78 VAL HA H 78 4.491 4.491 4.319 0.172 25830 3047 1 6 . 1 1 78 78 VAL C C 78 171.256 171.256 174.836 -3.580 25830 3048 1 6 . 1 1 78 78 VAL CA C 78 56.800 56.800 62.008 -5.208 25830 3049 1 6 . 1 1 78 78 VAL CB C 78 31.741 31.741 32.665 -0.924 25830 3050 1 6 . 1 1 78 78 VAL H H 78 8.137 8.137 7.414 0.723 25830 3051 1 6 . 1 1 79 79 SER N N 79 116.418 116.418 120.427 -4.009 25830 3052 1 6 . 1 1 79 79 SER HA H 79 4.583 4.583 4.632 -0.049 25830 3053 1 6 . 1 1 79 79 SER C C 79 170.681 170.681 173.984 -3.303 25830 3054 1 6 . 1 1 79 79 SER CA C 79 54.258 54.258 57.271 -3.013 25830 3055 1 6 . 1 1 79 79 SER CB C 79 61.468 61.468 64.106 -2.638 25830 3056 1 6 . 1 1 79 79 SER H H 79 8.124 8.124 8.240 -0.116 25830 3057 1 6 . 1 1 80 80 ILE N N 80 120.257 120.257 120.731 -0.474 25830 3058 1 6 . 1 1 80 80 ILE HA H 80 4.639 4.639 4.587 0.052 25830 3059 1 6 . 1 1 80 80 ILE C C 80 172.830 172.830 173.995 -1.165 25830 3060 1 6 . 1 1 80 80 ILE CA C 80 55.333 55.333 58.394 -3.061 25830 3061 1 6 . 1 1 80 80 ILE CB C 80 38.093 38.093 38.984 -0.891 25830 3062 1 6 . 1 1 80 80 ILE H H 80 8.089 8.089 8.094 -0.005 25830 3063 1 6 . 1 1 81 81 PRO HA H 81 4.547 4.547 4.411 0.136 25830 3064 1 6 . 1 1 81 81 PRO C C 81 171.325 171.325 176.046 -4.721 25830 3065 1 6 . 1 1 81 81 PRO CA C 81 60.903 60.903 64.156 -3.253 25830 3066 1 6 . 1 1 81 81 PRO CB C 81 27.693 27.693 32.355 -4.662 25830 3067 1 6 . 1 1 82 82 TYR N N 82 115.259 115.259 115.372 -0.113 25830 3068 1 6 . 1 1 82 82 TYR HA H 82 4.732 4.732 4.733 -0.001 25830 3069 1 6 . 1 1 82 82 TYR C C 82 170.187 170.187 173.998 -3.811 25830 3070 1 6 . 1 1 82 82 TYR CA C 82 51.930 51.930 56.157 -4.227 25830 3071 1 6 . 1 1 82 82 TYR CB C 82 37.275 37.275 39.756 -2.481 25830 3072 1 6 . 1 1 82 82 TYR H H 82 6.642 6.642 7.270 -0.628 25830 3073 1 6 . 1 1 83 83 LYS N N 83 116.992 116.992 117.769 -0.777 25830 3074 1 6 . 1 1 83 83 LYS HA H 83 4.464 4.464 4.579 -0.115 25830 3075 1 6 . 1 1 83 83 LYS C C 83 174.342 174.342 176.088 -1.746 25830 3076 1 6 . 1 1 83 83 LYS CA C 83 51.653 51.653 54.635 -2.982 25830 3077 1 6 . 1 1 83 83 LYS CB C 83 31.513 31.513 36.620 -5.107 25830 3078 1 6 . 1 1 83 83 LYS H H 83 8.301 8.301 8.663 -0.362 25830 3079 1 6 . 1 1 84 84 ILE N N 84 126.906 126.906 124.029 2.877 25830 3080 1 6 . 1 1 84 84 ILE HA H 84 3.913 3.913 4.306 -0.393 25830 3081 1 6 . 1 1 84 84 ILE C C 84 170.945 170.945 174.854 -3.909 25830 3082 1 6 . 1 1 84 84 ILE CA C 84 59.761 59.761 61.255 -1.494 25830 3083 1 6 . 1 1 84 84 ILE CB C 84 33.534 33.534 36.029 -2.495 25830 3084 1 6 . 1 1 84 84 ILE H H 84 9.304 9.304 8.797 0.507 25830 3085 1 6 . 1 1 85 85 SER N N 85 120.246 120.246 116.173 4.073 25830 3086 1 6 . 1 1 85 85 SER HA H 85 4.563 4.563 4.912 -0.349 25830 3087 1 6 . 1 1 85 85 SER C C 85 171.695 171.695 175.377 -3.682 25830 3088 1 6 . 1 1 85 85 SER CA C 85 53.394 53.394 56.363 -2.969 25830 3089 1 6 . 1 1 85 85 SER CB C 85 61.638 61.638 66.531 -4.894 25830 3090 1 6 . 1 1 85 85 SER H H 85 7.256 7.256 7.707 -0.451 25830 3091 1 6 . 1 1 86 86 THR N N 86 115.458 115.458 114.554 0.904 25830 3092 1 6 . 1 1 86 86 THR HA H 86 4.147 4.147 4.128 0.019 25830 3093 1 6 . 1 1 86 86 THR C C 86 172.663 172.663 175.526 -2.863 25830 3094 1 6 . 1 1 86 86 THR CA C 86 61.527 61.527 64.343 -2.816 25830 3095 1 6 . 1 1 86 86 THR CB C 86 65.858 65.858 68.688 -2.830 25830 3096 1 6 . 1 1 86 86 THR H H 86 8.819 8.819 8.716 0.103 25830 3097 1 6 . 1 1 87 87 SER N N 87 114.029 114.029 113.449 0.580 25830 3098 1 6 . 1 1 87 87 SER HA H 87 4.524 4.524 4.458 0.066 25830 3099 1 6 . 1 1 87 87 SER C C 87 172.010 172.010 174.695 -2.685 25830 3100 1 6 . 1 1 87 87 SER CA C 87 55.408 55.408 58.477 -3.069 25830 3101 1 6 . 1 1 87 87 SER CB C 87 61.144 61.144 63.405 -2.261 25830 3102 1 6 . 1 1 87 87 SER H H 87 8.239 8.239 7.866 0.373 25830 3103 1 6 . 1 1 88 88 THR N N 88 120.831 120.831 118.334 2.497 25830 3104 1 6 . 1 1 88 88 THR HA H 88 3.808 3.808 4.311 -0.503 25830 3105 1 6 . 1 1 88 88 THR C C 88 181.273 181.273 173.988 7.285 25830 3106 1 6 . 1 1 88 88 THR CA C 88 61.409 61.409 63.480 -2.071 25830 3107 1 6 . 1 1 88 88 THR CB C 88 67.556 67.556 69.594 -2.038 25830 3108 1 6 . 1 1 88 88 THR H H 88 7.142 7.142 7.386 -0.244 25830 3109 1 6 . 1 1 89 89 ASN N N 89 124.818 124.818 125.141 -0.323 25830 3110 1 6 . 1 1 89 89 ASN HA H 89 4.819 4.819 4.782 0.037 25830 3111 1 6 . 1 1 89 89 ASN C C 89 173.325 173.325 175.976 -2.651 25830 3112 1 6 . 1 1 89 89 ASN CA C 89 48.483 48.483 52.205 -3.722 25830 3113 1 6 . 1 1 89 89 ASN CB C 89 34.958 34.958 37.505 -2.547 25830 3114 1 6 . 1 1 89 89 ASN H H 89 8.754 8.754 8.717 0.037 25830 3115 1 6 . 1 1 90 90 CYS N N 90 123.361 123.361 122.933 0.428 25830 3116 1 6 . 1 1 90 90 CYS HA H 90 4.174 4.174 4.136 0.038 25830 3117 1 6 . 1 1 90 90 CYS C C 90 172.573 172.573 176.094 -3.521 25830 3118 1 6 . 1 1 90 90 CYS CA C 90 54.158 54.158 60.959 -6.801 25830 3119 1 6 . 1 1 90 90 CYS CB C 90 36.687 36.687 26.382 10.305 25830 3120 1 6 . 1 1 90 90 CYS H H 90 8.790 8.790 8.366 0.424 25830 3121 1 6 . 1 1 91 91 ASN N N 91 115.199 115.199 117.066 -1.867 25830 3122 1 6 . 1 1 91 91 ASN HA H 91 4.578 4.578 4.518 0.060 25830 3123 1 6 . 1 1 91 91 ASN C C 91 173.584 173.584 176.096 -2.512 25830 3124 1 6 . 1 1 91 91 ASN CA C 91 52.264 52.264 55.319 -3.055 25830 3125 1 6 . 1 1 91 91 ASN CB C 91 35.690 35.690 38.370 -2.680 25830 3126 1 6 . 1 1 91 91 ASN H H 91 8.320 8.320 8.141 0.179 25830 3127 1 6 . 1 1 92 92 THR N N 92 107.497 107.497 111.069 -3.572 25830 3128 1 6 . 1 1 92 92 THR HA H 92 4.388 4.388 4.341 0.047 25830 3129 1 6 . 1 1 92 92 THR C C 92 171.702 171.702 174.439 -2.737 25830 3130 1 6 . 1 1 92 92 THR CA C 92 58.280 58.280 61.660 -3.380 25830 3131 1 6 . 1 1 92 92 THR CB C 92 66.107 66.107 69.215 -3.107 25830 3132 1 6 . 1 1 92 92 THR H H 92 7.338 7.338 7.851 -0.513 25830 3133 1 6 . 1 1 93 93 VAL N N 93 123.151 123.151 121.977 1.174 25830 3134 1 6 . 1 1 93 93 VAL HA H 93 3.667 3.667 4.105 -0.438 25830 3135 1 6 . 1 1 93 93 VAL C C 93 172.207 172.207 176.308 -4.101 25830 3136 1 6 . 1 1 93 93 VAL CA C 93 59.846 59.846 61.932 -2.086 25830 3137 1 6 . 1 1 93 93 VAL CB C 93 29.999 29.999 32.761 -2.763 25830 3138 1 6 . 1 1 93 93 VAL H H 93 6.806 6.806 7.367 -0.561 25830 3139 1 6 . 1 1 94 94 ARG N N 94 127.129 127.129 125.171 1.958 25830 3140 1 6 . 1 1 94 94 ARG HA H 94 4.339 4.339 4.124 0.215 25830 3141 1 6 . 1 1 94 94 ARG C C 94 171.859 171.859 176.451 -4.592 25830 3142 1 6 . 1 1 94 94 ARG CA C 94 52.395 52.395 55.403 -3.008 25830 3143 1 6 . 1 1 94 94 ARG CB C 94 26.973 26.973 30.372 -3.399 25830 3144 1 6 . 1 1 94 94 ARG H H 94 8.201 8.201 8.406 -0.205 25830 3145 1 7 . 1 1 2 2 LEU N N 2 123.438 123.438 122.391 1.047 25830 3146 1 7 . 1 1 2 2 LEU HA H 2 4.344 4.344 4.655 -0.311 25830 3147 1 7 . 1 1 2 2 LEU C C 2 172.388 172.388 176.126 -3.738 25830 3148 1 7 . 1 1 2 2 LEU CA C 2 52.560 52.560 55.245 -2.685 25830 3149 1 7 . 1 1 2 2 LEU CB C 2 40.603 40.603 42.581 -1.978 25830 3150 1 7 . 1 1 2 2 LEU H H 2 8.368 8.368 8.640 -0.272 25830 3151 1 7 . 1 1 3 3 SER N N 3 119.868 119.868 119.384 0.484 25830 3152 1 7 . 1 1 3 3 SER HA H 3 4.748 4.748 4.645 0.103 25830 3153 1 7 . 1 1 3 3 SER C C 3 173.163 173.163 175.965 -2.802 25830 3154 1 7 . 1 1 3 3 SER CA C 3 53.523 53.523 57.072 -3.549 25830 3155 1 7 . 1 1 3 3 SER CB C 3 62.412 62.412 65.025 -2.613 25830 3156 1 7 . 1 1 3 3 SER H H 3 8.550 8.550 8.269 0.281 25830 3157 1 7 . 1 1 4 4 CYS N N 4 120.408 120.408 127.050 -6.642 25830 3158 1 7 . 1 1 4 4 CYS HA H 4 4.586 4.586 4.314 0.272 25830 3159 1 7 . 1 1 4 4 CYS C C 4 175.067 175.067 177.230 -2.163 25830 3160 1 7 . 1 1 4 4 CYS CA C 4 52.166 52.166 60.661 -8.495 25830 3161 1 7 . 1 1 4 4 CYS CB C 4 30.372 30.372 26.543 3.829 25830 3162 1 7 . 1 1 4 4 CYS H H 4 9.222 9.222 9.009 0.213 25830 3163 1 7 . 1 1 5 5 GLY N N 5 110.663 110.663 107.307 3.356 25830 3164 1 7 . 1 1 5 5 GLY C C 5 174.023 174.023 175.243 -1.220 25830 3165 1 7 . 1 1 5 5 GLY CA C 5 44.577 44.577 47.428 -2.851 25830 3166 1 7 . 1 1 5 5 GLY H H 5 8.721 8.721 8.002 0.719 25830 3167 1 7 . 1 1 6 6 THR N N 6 118.884 118.884 115.916 2.968 25830 3168 1 7 . 1 1 6 6 THR HA H 6 4.031 4.031 4.454 -0.422 25830 3169 1 7 . 1 1 6 6 THR C C 6 172.782 172.782 176.800 -4.018 25830 3170 1 7 . 1 1 6 6 THR CA C 6 62.801 62.801 64.199 -1.398 25830 3171 1 7 . 1 1 6 6 THR CB C 6 65.896 65.896 69.344 -3.448 25830 3172 1 7 . 1 1 6 6 THR H H 6 7.676 7.676 7.793 -0.117 25830 3173 1 7 . 1 1 7 7 VAL N N 7 120.789 120.789 123.168 -2.379 25830 3174 1 7 . 1 1 7 7 VAL HA H 7 3.607 3.607 3.675 -0.068 25830 3175 1 7 . 1 1 7 7 VAL C C 7 174.356 174.356 177.415 -3.059 25830 3176 1 7 . 1 1 7 7 VAL CA C 7 63.774 63.774 66.529 -2.755 25830 3177 1 7 . 1 1 7 7 VAL CB C 7 28.610 28.610 30.974 -2.365 25830 3178 1 7 . 1 1 7 7 VAL H H 7 7.280 7.280 7.425 -0.145 25830 3179 1 7 . 1 1 8 8 SER N N 8 114.047 114.047 115.367 -1.320 25830 3180 1 7 . 1 1 8 8 SER HA H 8 3.858 3.858 4.110 -0.252 25830 3181 1 7 . 1 1 8 8 SER C C 8 173.948 173.948 175.985 -2.037 25830 3182 1 7 . 1 1 8 8 SER CA C 8 59.791 59.791 61.323 -1.532 25830 3183 1 7 . 1 1 8 8 SER CB C 8 59.242 59.242 62.927 -3.685 25830 3184 1 7 . 1 1 8 8 SER H H 8 8.501 8.501 8.324 0.177 25830 3185 1 7 . 1 1 9 9 ALA N N 9 123.669 123.669 122.913 0.756 25830 3186 1 7 . 1 1 9 9 ALA HA H 9 4.165 4.165 4.120 0.045 25830 3187 1 7 . 1 1 9 9 ALA C C 9 177.740 177.740 178.919 -1.179 25830 3188 1 7 . 1 1 9 9 ALA CA C 9 52.218 52.218 54.545 -2.327 25830 3189 1 7 . 1 1 9 9 ALA CB C 9 15.348 15.348 18.408 -3.060 25830 3190 1 7 . 1 1 9 9 ALA H H 9 7.685 7.685 7.556 0.129 25830 3191 1 7 . 1 1 10 10 ASP N N 10 118.653 118.653 117.586 1.067 25830 3192 1 7 . 1 1 10 10 ASP HA H 10 4.414 4.414 4.494 -0.080 25830 3193 1 7 . 1 1 10 10 ASP C C 10 173.327 173.327 177.488 -4.161 25830 3194 1 7 . 1 1 10 10 ASP CA C 10 53.357 53.357 55.997 -2.640 25830 3195 1 7 . 1 1 10 10 ASP CB C 10 35.579 35.579 41.608 -6.029 25830 3196 1 7 . 1 1 10 10 ASP H H 10 8.161 8.161 8.099 0.062 25830 3197 1 7 . 1 1 11 11 LEU N N 11 115.104 115.104 120.429 -5.325 25830 3198 1 7 . 1 1 11 11 LEU HA H 11 4.183 4.183 4.188 -0.005 25830 3199 1 7 . 1 1 11 11 LEU C C 11 175.206 175.206 177.923 -2.717 25830 3200 1 7 . 1 1 11 11 LEU CA C 11 51.360 51.360 56.260 -4.900 25830 3201 1 7 . 1 1 11 11 LEU CB C 11 40.185 40.185 41.348 -1.163 25830 3202 1 7 . 1 1 11 11 LEU H H 11 7.731 7.731 7.362 0.369 25830 3203 1 7 . 1 1 12 12 ALA N N 12 124.133 124.133 122.840 1.293 25830 3204 1 7 . 1 1 12 12 ALA HA H 12 4.309 4.309 4.096 0.213 25830 3205 1 7 . 1 1 12 12 ALA C C 12 174.540 174.540 177.093 -2.553 25830 3206 1 7 . 1 1 12 12 ALA CA C 12 54.075 54.075 56.804 -2.729 25830 3207 1 7 . 1 1 12 12 ALA CB C 12 13.256 13.256 16.341 -3.085 25830 3208 1 7 . 1 1 12 12 ALA H H 12 7.481 7.481 7.974 -0.493 25830 3209 1 7 . 1 1 13 13 PRO HA H 13 4.674 4.674 4.479 0.195 25830 3210 1 7 . 1 1 13 13 PRO C C 13 174.824 174.824 176.584 -1.760 25830 3211 1 7 . 1 1 13 13 PRO CA C 13 61.982 61.982 64.462 -2.480 25830 3212 1 7 . 1 1 13 13 PRO CB C 13 28.804 28.804 31.253 -2.449 25830 3213 1 7 . 1 1 14 14 CYS N N 14 114.225 114.225 116.166 -1.941 25830 3214 1 7 . 1 1 14 14 CYS HA H 14 4.722 4.722 4.699 0.023 25830 3215 1 7 . 1 1 14 14 CYS C C 14 172.376 172.376 176.481 -4.105 25830 3216 1 7 . 1 1 14 14 CYS CA C 14 51.481 51.481 59.658 -8.177 25830 3217 1 7 . 1 1 14 14 CYS CB C 14 39.508 39.508 27.581 11.927 25830 3218 1 7 . 1 1 14 14 CYS H H 14 8.938 8.938 7.651 1.287 25830 3219 1 7 . 1 1 15 15 VAL N N 15 122.488 122.488 121.829 0.659 25830 3220 1 7 . 1 1 15 15 VAL HA H 15 3.350 3.350 3.575 -0.225 25830 3221 1 7 . 1 1 15 15 VAL C C 15 173.644 173.644 177.343 -3.699 25830 3222 1 7 . 1 1 15 15 VAL CA C 15 66.608 66.608 67.525 -0.917 25830 3223 1 7 . 1 1 15 15 VAL CB C 15 28.692 28.692 31.783 -3.091 25830 3224 1 7 . 1 1 15 15 VAL H H 15 7.767 7.767 7.718 0.049 25830 3225 1 7 . 1 1 16 16 THR N N 16 112.169 112.169 114.369 -2.200 25830 3226 1 7 . 1 1 16 16 THR HA H 16 4.012 4.012 3.946 0.066 25830 3227 1 7 . 1 1 16 16 THR C C 16 175.021 175.021 175.875 -0.854 25830 3228 1 7 . 1 1 16 16 THR CA C 16 63.879 63.879 65.919 -2.040 25830 3229 1 7 . 1 1 16 16 THR CB C 16 65.364 65.364 68.920 -3.556 25830 3230 1 7 . 1 1 16 16 THR H H 16 8.258 8.258 8.142 0.116 25830 3231 1 7 . 1 1 17 17 TYR N N 17 124.563 124.563 120.549 4.014 25830 3232 1 7 . 1 1 17 17 TYR HA H 17 4.265 4.265 4.352 -0.087 25830 3233 1 7 . 1 1 17 17 TYR C C 17 174.326 174.326 177.446 -3.120 25830 3234 1 7 . 1 1 17 17 TYR CA C 17 58.001 58.001 60.157 -2.156 25830 3235 1 7 . 1 1 17 17 TYR CB C 17 35.252 35.252 38.222 -2.970 25830 3236 1 7 . 1 1 17 17 TYR H H 17 8.280 8.280 8.213 0.067 25830 3237 1 7 . 1 1 18 18 LEU N N 18 119.213 119.213 118.982 0.231 25830 3238 1 7 . 1 1 18 18 LEU HA H 18 3.630 3.630 3.737 -0.107 25830 3239 1 7 . 1 1 18 18 LEU C C 18 172.858 172.858 178.448 -5.590 25830 3240 1 7 . 1 1 18 18 LEU CA C 18 54.171 54.171 57.257 -3.086 25830 3241 1 7 . 1 1 18 18 LEU CB C 18 38.310 38.310 41.556 -3.246 25830 3242 1 7 . 1 1 18 18 LEU H H 18 8.394 8.394 7.706 0.688 25830 3243 1 7 . 1 1 19 19 GLN N N 19 114.782 114.782 115.012 -0.230 25830 3244 1 7 . 1 1 19 19 GLN HA H 19 4.582 4.582 4.325 0.257 25830 3245 1 7 . 1 1 19 19 GLN C C 19 172.754 172.754 175.611 -2.857 25830 3246 1 7 . 1 1 19 19 GLN CA C 19 52.320 52.320 55.749 -3.429 25830 3247 1 7 . 1 1 19 19 GLN CB C 19 27.954 27.954 29.712 -1.758 25830 3248 1 7 . 1 1 19 19 GLN H H 19 7.319 7.319 7.542 -0.223 25830 3249 1 7 . 1 1 20 20 ALA N N 20 126.473 126.473 123.221 3.252 25830 3250 1 7 . 1 1 20 20 ALA HA H 20 4.494 4.494 4.575 -0.081 25830 3251 1 7 . 1 1 20 20 ALA C C 20 171.072 171.072 175.248 -4.176 25830 3252 1 7 . 1 1 20 20 ALA CA C 20 48.862 48.862 49.997 -1.135 25830 3253 1 7 . 1 1 20 20 ALA CB C 20 15.610 15.610 18.634 -3.024 25830 3254 1 7 . 1 1 20 20 ALA H H 20 7.292 7.292 7.140 0.152 25830 3255 1 7 . 1 1 21 21 PRO HA H 21 4.440 4.440 4.452 -0.012 25830 3256 1 7 . 1 1 21 21 PRO C C 21 174.052 174.052 177.121 -3.069 25830 3257 1 7 . 1 1 21 21 PRO CA C 21 59.522 59.522 61.912 -2.390 25830 3258 1 7 . 1 1 21 21 PRO CB C 21 29.853 29.853 32.306 -2.453 25830 3259 1 7 . 1 1 22 22 ASN N N 22 117.448 117.448 117.546 -0.098 25830 3260 1 7 . 1 1 22 22 ASN HA H 22 4.754 4.754 4.575 0.179 25830 3261 1 7 . 1 1 22 22 ASN C C 22 173.299 173.299 175.547 -2.248 25830 3262 1 7 . 1 1 22 22 ASN CA C 22 51.478 51.478 55.135 -3.657 25830 3263 1 7 . 1 1 22 22 ASN CB C 22 35.291 35.291 37.920 -2.629 25830 3264 1 7 . 1 1 22 22 ASN H H 22 8.466 8.466 8.744 -0.278 25830 3265 1 7 . 1 1 23 23 ASN N N 23 113.171 113.171 116.658 -3.487 25830 3266 1 7 . 1 1 23 23 ASN HA H 23 4.555 4.555 4.671 -0.116 25830 3267 1 7 . 1 1 23 23 ASN C C 23 172.210 172.210 175.101 -2.891 25830 3268 1 7 . 1 1 23 23 ASN CA C 23 50.626 50.626 53.380 -2.754 25830 3269 1 7 . 1 1 23 23 ASN CB C 23 34.278 34.278 38.508 -4.230 25830 3270 1 7 . 1 1 23 23 ASN H H 23 8.187 8.187 8.208 -0.021 25830 3271 1 7 . 1 1 24 24 ALA N N 24 122.578 122.578 123.340 -0.762 25830 3272 1 7 . 1 1 24 24 ALA HA H 24 4.394 4.394 4.459 -0.065 25830 3273 1 7 . 1 1 24 24 ALA C C 24 173.708 173.708 176.633 -2.925 25830 3274 1 7 . 1 1 24 24 ALA CA C 24 49.696 49.696 52.073 -2.377 25830 3275 1 7 . 1 1 24 24 ALA CB C 24 18.288 18.288 20.245 -1.957 25830 3276 1 7 . 1 1 24 24 ALA H H 24 7.381 7.381 7.582 -0.201 25830 3277 1 7 . 1 1 25 25 SER N N 25 115.237 115.237 115.547 -0.310 25830 3278 1 7 . 1 1 25 25 SER HA H 25 4.922 4.922 4.665 0.257 25830 3279 1 7 . 1 1 25 25 SER C C 25 181.107 181.107 172.504 8.603 25830 3280 1 7 . 1 1 25 25 SER CA C 25 53.033 53.033 56.148 -3.115 25830 3281 1 7 . 1 1 25 25 SER CB C 25 61.549 61.549 64.223 -2.674 25830 3282 1 7 . 1 1 25 25 SER H H 25 8.649 8.649 8.305 0.344 25830 3283 1 7 . 1 1 26 26 PRO HA H 26 4.014 4.014 4.392 -0.378 25830 3284 1 7 . 1 1 26 26 PRO CA C 26 57.292 57.292 60.993 -3.701 25830 3285 1 7 . 1 1 26 26 PRO CB C 26 27.450 27.450 30.763 -3.313 25830 3286 1 7 . 1 1 27 27 PRO HA H 27 4.881 4.881 4.732 0.149 25830 3287 1 7 . 1 1 27 27 PRO CA C 27 58.500 58.500 60.937 -2.437 25830 3288 1 7 . 1 1 27 27 PRO CB C 27 28.489 28.489 30.852 -2.362 25830 3289 1 7 . 1 1 28 28 PRO HA H 28 4.421 4.421 4.258 0.163 25830 3290 1 7 . 1 1 28 28 PRO CA C 28 64.505 64.505 66.505 -2.001 25830 3291 1 7 . 1 1 28 28 PRO CB C 28 26.217 26.217 29.802 -3.585 25830 3292 1 7 . 1 1 29 29 PRO HA H 29 4.477 4.477 4.412 0.065 25830 3293 1 7 . 1 1 29 29 PRO C C 29 177.330 177.330 178.590 -1.260 25830 3294 1 7 . 1 1 29 29 PRO CA C 29 62.883 62.883 65.179 -2.296 25830 3295 1 7 . 1 1 29 29 PRO CB C 29 28.301 28.301 31.182 -2.881 25830 3296 1 7 . 1 1 30 30 CYS N N 30 114.694 114.694 117.986 -3.292 25830 3297 1 7 . 1 1 30 30 CYS HA H 30 4.456 4.456 4.264 0.192 25830 3298 1 7 . 1 1 30 30 CYS C C 30 172.260 172.260 176.643 -4.383 25830 3299 1 7 . 1 1 30 30 CYS CA C 30 55.585 55.585 61.707 -6.122 25830 3300 1 7 . 1 1 30 30 CYS CB C 30 34.602 34.602 25.984 8.618 25830 3301 1 7 . 1 1 30 30 CYS H H 30 7.637 7.637 7.614 0.023 25830 3302 1 7 . 1 1 31 31 CYS N N 31 116.335 116.335 120.792 -4.457 25830 3303 1 7 . 1 1 31 31 CYS HA H 31 4.607 4.607 4.094 0.513 25830 3304 1 7 . 1 1 31 31 CYS C C 31 174.401 174.401 177.280 -2.879 25830 3305 1 7 . 1 1 31 31 CYS CA C 31 51.858 51.858 63.429 -11.571 25830 3306 1 7 . 1 1 31 31 CYS CB C 31 29.979 29.979 25.695 4.284 25830 3307 1 7 . 1 1 31 31 CYS H H 31 7.083 7.083 8.079 -0.996 25830 3308 1 7 . 1 1 32 32 ALA N N 32 121.738 121.738 121.398 0.340 25830 3309 1 7 . 1 1 32 32 ALA HA H 32 4.070 4.070 3.979 0.091 25830 3310 1 7 . 1 1 32 32 ALA C C 32 177.730 177.730 179.491 -1.761 25830 3311 1 7 . 1 1 32 32 ALA CA C 32 52.557 52.557 55.268 -2.711 25830 3312 1 7 . 1 1 32 32 ALA CB C 32 15.204 15.204 17.994 -2.790 25830 3313 1 7 . 1 1 32 32 ALA H H 32 8.481 8.481 7.825 0.656 25830 3314 1 7 . 1 1 33 33 GLY N N 33 108.715 108.715 106.382 2.333 25830 3315 1 7 . 1 1 33 33 GLY C C 33 172.825 172.825 176.210 -3.385 25830 3316 1 7 . 1 1 33 33 GLY CA C 33 44.748 44.748 46.972 -2.224 25830 3317 1 7 . 1 1 33 33 GLY H H 33 7.683 7.683 7.719 -0.036 25830 3318 1 7 . 1 1 34 34 VAL N N 34 121.079 121.079 121.447 -0.368 25830 3319 1 7 . 1 1 34 34 VAL HA H 34 3.489 3.489 3.642 -0.153 25830 3320 1 7 . 1 1 34 34 VAL C C 34 174.764 174.764 178.754 -3.990 25830 3321 1 7 . 1 1 34 34 VAL CA C 34 63.930 63.930 65.597 -1.667 25830 3322 1 7 . 1 1 34 34 VAL CB C 34 29.037 29.037 31.753 -2.716 25830 3323 1 7 . 1 1 34 34 VAL H H 34 8.085 8.085 7.452 0.632 25830 3324 1 7 . 1 1 35 35 LYS N N 35 117.845 117.845 118.291 -0.446 25830 3325 1 7 . 1 1 35 35 LYS HA H 35 3.814 3.814 4.147 -0.333 25830 3326 1 7 . 1 1 35 35 LYS C C 35 176.677 176.677 178.364 -1.687 25830 3327 1 7 . 1 1 35 35 LYS CA C 35 57.849 57.849 58.643 -0.794 25830 3328 1 7 . 1 1 35 35 LYS CB C 35 29.635 29.635 31.806 -2.171 25830 3329 1 7 . 1 1 35 35 LYS H H 35 8.089 8.089 7.809 0.280 25830 3330 1 7 . 1 1 36 36 LYS N N 36 120.507 120.507 120.883 -0.376 25830 3331 1 7 . 1 1 36 36 LYS HA H 36 3.946 3.946 4.091 -0.145 25830 3332 1 7 . 1 1 36 36 LYS C C 36 176.481 176.481 178.218 -1.737 25830 3333 1 7 . 1 1 36 36 LYS CA C 36 56.889 56.889 58.377 -1.488 25830 3334 1 7 . 1 1 36 36 LYS CB C 36 29.999 29.999 32.177 -2.178 25830 3335 1 7 . 1 1 36 36 LYS H H 36 7.940 7.940 7.465 0.475 25830 3336 1 7 . 1 1 37 37 LEU N N 37 121.929 121.929 120.304 1.625 25830 3337 1 7 . 1 1 37 37 LEU HA H 37 4.012 4.012 3.953 0.059 25830 3338 1 7 . 1 1 37 37 LEU C C 37 175.490 175.490 178.224 -2.734 25830 3339 1 7 . 1 1 37 37 LEU CA C 37 55.567 55.567 57.338 -1.771 25830 3340 1 7 . 1 1 37 37 LEU CB C 37 38.621 38.621 41.768 -3.147 25830 3341 1 7 . 1 1 37 37 LEU H H 37 7.882 7.882 7.472 0.410 25830 3342 1 7 . 1 1 38 38 LEU N N 38 117.061 117.061 119.087 -2.026 25830 3343 1 7 . 1 1 38 38 LEU HA H 38 4.050 4.050 3.965 0.085 25830 3344 1 7 . 1 1 38 38 LEU C C 38 177.275 177.275 177.719 -0.444 25830 3345 1 7 . 1 1 38 38 LEU CA C 38 54.535 54.535 57.708 -3.173 25830 3346 1 7 . 1 1 38 38 LEU CB C 38 38.448 38.448 41.782 -3.334 25830 3347 1 7 . 1 1 38 38 LEU H H 38 7.812 7.812 7.523 0.289 25830 3348 1 7 . 1 1 39 39 ALA N N 39 119.986 119.986 118.027 1.959 25830 3349 1 7 . 1 1 39 39 ALA HA H 39 4.105 4.105 4.267 -0.162 25830 3350 1 7 . 1 1 39 39 ALA C C 39 175.721 175.721 177.666 -1.945 25830 3351 1 7 . 1 1 39 39 ALA CA C 39 50.910 50.910 52.299 -1.389 25830 3352 1 7 . 1 1 39 39 ALA CB C 39 15.545 15.545 18.929 -3.384 25830 3353 1 7 . 1 1 39 39 ALA H H 39 7.914 7.914 7.635 0.279 25830 3354 1 7 . 1 1 40 40 ALA N N 40 118.015 118.015 122.744 -4.729 25830 3355 1 7 . 1 1 40 40 ALA HA H 40 4.266 4.266 4.306 -0.040 25830 3356 1 7 . 1 1 40 40 ALA C C 40 174.416 174.416 177.826 -3.410 25830 3357 1 7 . 1 1 40 40 ALA CA C 40 49.886 49.886 52.885 -2.999 25830 3358 1 7 . 1 1 40 40 ALA CB C 40 16.330 16.330 19.364 -3.034 25830 3359 1 7 . 1 1 40 40 ALA H H 40 7.302 7.302 7.612 -0.310 25830 3360 1 7 . 1 1 41 41 ALA N N 41 122.389 122.389 119.299 3.090 25830 3361 1 7 . 1 1 41 41 ALA HA H 41 4.605 4.605 4.289 0.316 25830 3362 1 7 . 1 1 41 41 ALA C C 41 172.709 172.709 176.455 -3.746 25830 3363 1 7 . 1 1 41 41 ALA CA C 41 47.917 47.917 52.274 -4.357 25830 3364 1 7 . 1 1 41 41 ALA CB C 41 15.072 15.072 20.096 -5.024 25830 3365 1 7 . 1 1 41 41 ALA H H 41 7.304 7.304 7.554 -0.250 25830 3366 1 7 . 1 1 42 42 THR N N 42 113.142 113.142 109.950 3.192 25830 3367 1 7 . 1 1 42 42 THR HA H 42 4.422 4.422 4.406 0.016 25830 3368 1 7 . 1 1 42 42 THR C C 42 172.086 172.086 174.767 -2.681 25830 3369 1 7 . 1 1 42 42 THR CA C 42 59.772 59.772 61.847 -2.075 25830 3370 1 7 . 1 1 42 42 THR CB C 42 66.992 66.992 69.997 -3.005 25830 3371 1 7 . 1 1 42 42 THR H H 42 8.663 8.663 8.192 0.471 25830 3372 1 7 . 1 1 43 43 THR N N 43 111.501 111.501 111.683 -0.182 25830 3373 1 7 . 1 1 43 43 THR HA H 43 4.704 4.704 4.548 0.156 25830 3374 1 7 . 1 1 43 43 THR C C 43 172.283 172.283 175.198 -2.915 25830 3375 1 7 . 1 1 43 43 THR CA C 43 56.869 56.869 60.234 -3.365 25830 3376 1 7 . 1 1 43 43 THR CB C 43 69.211 69.211 70.709 -1.498 25830 3377 1 7 . 1 1 43 43 THR H H 43 7.705 7.705 7.483 0.222 25830 3378 1 7 . 1 1 44 44 THR N N 44 119.157 119.157 115.033 4.124 25830 3379 1 7 . 1 1 44 44 THR HA H 44 3.861 3.861 4.138 -0.277 25830 3380 1 7 . 1 1 44 44 THR CA C 44 66.420 66.420 66.680 -0.260 25830 3381 1 7 . 1 1 44 44 THR CB C 44 63.702 63.702 66.639 -2.937 25830 3382 1 7 . 1 1 44 44 THR H H 44 9.305 9.305 8.416 0.889 25830 3383 1 7 . 1 1 45 45 PRO HA H 45 4.345 4.345 4.675 -0.330 25830 3384 1 7 . 1 1 45 45 PRO C C 45 177.238 177.238 177.838 -0.600 25830 3385 1 7 . 1 1 45 45 PRO CA C 45 63.192 63.192 65.002 -1.810 25830 3386 1 7 . 1 1 45 45 PRO CB C 45 28.232 28.232 31.592 -3.360 25830 3387 1 7 . 1 1 46 46 ASP N N 46 117.412 117.412 119.293 -1.881 25830 3388 1 7 . 1 1 46 46 ASP HA H 46 4.571 4.571 4.402 0.169 25830 3389 1 7 . 1 1 46 46 ASP C C 46 175.358 175.358 178.055 -2.697 25830 3390 1 7 . 1 1 46 46 ASP CA C 46 54.436 54.436 56.910 -2.474 25830 3391 1 7 . 1 1 46 46 ASP CB C 46 37.884 37.884 40.370 -2.486 25830 3392 1 7 . 1 1 46 46 ASP H H 46 7.238 7.238 7.982 -0.744 25830 3393 1 7 . 1 1 47 47 ARG N N 47 122.342 122.342 118.079 4.263 25830 3394 1 7 . 1 1 47 47 ARG HA H 47 3.754 3.754 4.077 -0.323 25830 3395 1 7 . 1 1 47 47 ARG C C 47 176.688 176.688 178.950 -2.262 25830 3396 1 7 . 1 1 47 47 ARG CA C 47 57.351 57.351 59.038 -1.687 25830 3397 1 7 . 1 1 47 47 ARG CB C 47 26.606 26.606 30.032 -3.426 25830 3398 1 7 . 1 1 47 47 ARG H H 47 8.383 8.383 7.572 0.811 25830 3399 1 7 . 1 1 48 48 GLN N N 48 120.813 120.813 118.533 2.280 25830 3400 1 7 . 1 1 48 48 GLN HA H 48 3.650 3.650 4.105 -0.455 25830 3401 1 7 . 1 1 48 48 GLN C C 48 175.354 175.354 177.687 -2.333 25830 3402 1 7 . 1 1 48 48 GLN CA C 48 56.742 56.742 58.755 -2.013 25830 3403 1 7 . 1 1 48 48 GLN CB C 48 25.406 25.406 28.516 -3.110 25830 3404 1 7 . 1 1 48 48 GLN H H 48 8.176 8.176 7.817 0.359 25830 3405 1 7 . 1 1 49 49 ALA N N 49 122.476 122.476 121.461 1.015 25830 3406 1 7 . 1 1 49 49 ALA HA H 49 4.224 4.224 4.004 0.220 25830 3407 1 7 . 1 1 49 49 ALA C C 49 177.581 177.581 179.079 -1.498 25830 3408 1 7 . 1 1 49 49 ALA CA C 49 52.410 52.410 54.728 -2.318 25830 3409 1 7 . 1 1 49 49 ALA CB C 49 15.305 15.305 17.985 -2.680 25830 3410 1 7 . 1 1 49 49 ALA H H 49 8.079 8.079 7.501 0.578 25830 3411 1 7 . 1 1 50 50 ALA N N 50 121.104 121.104 120.351 0.753 25830 3412 1 7 . 1 1 50 50 ALA HA H 50 3.686 3.686 3.948 -0.262 25830 3413 1 7 . 1 1 50 50 ALA C C 50 175.478 175.478 178.573 -3.095 25830 3414 1 7 . 1 1 50 50 ALA CA C 50 53.344 53.344 55.276 -1.932 25830 3415 1 7 . 1 1 50 50 ALA CB C 50 14.032 14.032 17.968 -3.936 25830 3416 1 7 . 1 1 50 50 ALA H H 50 8.494 8.494 7.677 0.817 25830 3417 1 7 . 1 1 51 51 CYS N N 51 117.063 117.063 116.712 0.351 25830 3418 1 7 . 1 1 51 51 CYS HA H 51 4.091 4.091 4.086 0.005 25830 3419 1 7 . 1 1 51 51 CYS C C 51 173.692 173.692 176.563 -2.871 25830 3420 1 7 . 1 1 51 51 CYS CA C 51 57.660 57.660 61.403 -3.743 25830 3421 1 7 . 1 1 51 51 CYS CB C 51 34.278 34.278 25.572 8.706 25830 3422 1 7 . 1 1 51 51 CYS H H 51 7.466 7.466 8.045 -0.579 25830 3423 1 7 . 1 1 52 52 ASN N N 52 120.867 120.867 118.284 2.583 25830 3424 1 7 . 1 1 52 52 ASN HA H 52 4.403 4.403 4.611 -0.208 25830 3425 1 7 . 1 1 52 52 ASN C C 52 176.290 176.290 177.455 -1.165 25830 3426 1 7 . 1 1 52 52 ASN CA C 52 54.177 54.177 55.997 -1.820 25830 3427 1 7 . 1 1 52 52 ASN CB C 52 36.302 36.302 37.986 -1.684 25830 3428 1 7 . 1 1 52 52 ASN H H 52 8.164 8.164 7.383 0.781 25830 3429 1 7 . 1 1 53 53 CYS N N 53 119.542 119.542 120.315 -0.773 25830 3430 1 7 . 1 1 53 53 CYS HA H 53 4.543 4.543 4.207 0.336 25830 3431 1 7 . 1 1 53 53 CYS C C 53 175.294 175.294 177.034 -1.740 25830 3432 1 7 . 1 1 53 53 CYS CA C 53 53.637 53.637 62.512 -8.875 25830 3433 1 7 . 1 1 53 53 CYS CB C 53 34.302 34.302 26.020 8.282 25830 3434 1 7 . 1 1 53 53 CYS H H 53 8.974 8.974 8.405 0.569 25830 3435 1 7 . 1 1 54 54 LEU N N 54 124.510 124.510 118.831 5.679 25830 3436 1 7 . 1 1 54 54 LEU HA H 54 3.964 3.964 3.961 0.003 25830 3437 1 7 . 1 1 54 54 LEU C C 54 175.082 175.082 179.248 -4.166 25830 3438 1 7 . 1 1 54 54 LEU CA C 54 55.725 55.725 58.246 -2.521 25830 3439 1 7 . 1 1 54 54 LEU CB C 54 39.035 39.035 40.890 -1.855 25830 3440 1 7 . 1 1 54 54 LEU H H 54 8.794 8.794 8.069 0.725 25830 3441 1 7 . 1 1 55 55 LYS N N 55 120.615 120.615 118.424 2.191 25830 3442 1 7 . 1 1 55 55 LYS HA H 55 3.929 3.929 4.102 -0.173 25830 3443 1 7 . 1 1 55 55 LYS C C 55 176.860 176.860 178.462 -1.602 25830 3444 1 7 . 1 1 55 55 LYS CA C 55 57.089 57.089 58.825 -1.736 25830 3445 1 7 . 1 1 55 55 LYS CB C 55 30.420 30.420 32.163 -1.743 25830 3446 1 7 . 1 1 55 55 LYS H H 55 8.119 8.119 7.337 0.782 25830 3447 1 7 . 1 1 56 56 SER N N 56 113.653 113.653 114.583 -0.930 25830 3448 1 7 . 1 1 56 56 SER HA H 56 4.202 4.202 4.326 -0.124 25830 3449 1 7 . 1 1 56 56 SER C C 56 175.009 175.009 176.652 -1.643 25830 3450 1 7 . 1 1 56 56 SER CA C 56 58.397 58.397 60.908 -2.511 25830 3451 1 7 . 1 1 56 56 SER CB C 56 60.063 60.063 63.186 -3.123 25830 3452 1 7 . 1 1 56 56 SER H H 56 7.746 7.746 7.479 0.267 25830 3453 1 7 . 1 1 57 57 ALA N N 57 125.184 125.184 123.511 1.673 25830 3454 1 7 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.094 -0.021 25830 3455 1 7 . 1 1 57 57 ALA C C 57 177.735 177.735 179.340 -1.605 25830 3456 1 7 . 1 1 57 57 ALA CA C 57 52.222 52.222 54.705 -2.483 25830 3457 1 7 . 1 1 57 57 ALA CB C 57 14.710 14.710 18.175 -3.465 25830 3458 1 7 . 1 1 57 57 ALA H H 57 8.370 8.370 8.471 -0.101 25830 3459 1 7 . 1 1 58 58 ALA N N 58 119.288 119.288 121.417 -2.129 25830 3460 1 7 . 1 1 58 58 ALA HA H 58 3.873 3.873 4.097 -0.224 25830 3461 1 7 . 1 1 58 58 ALA C C 58 176.201 176.201 179.758 -3.557 25830 3462 1 7 . 1 1 58 58 ALA CA C 58 52.154 52.154 54.441 -2.287 25830 3463 1 7 . 1 1 58 58 ALA CB C 58 13.944 13.944 18.415 -4.471 25830 3464 1 7 . 1 1 58 58 ALA H H 58 8.355 8.355 7.747 0.608 25830 3465 1 7 . 1 1 59 59 GLY N N 59 101.896 101.896 103.707 -1.811 25830 3466 1 7 . 1 1 59 59 GLY C C 59 171.619 171.619 175.134 -3.515 25830 3467 1 7 . 1 1 59 59 GLY CA C 59 43.245 43.245 45.055 -1.810 25830 3468 1 7 . 1 1 59 59 GLY H H 59 7.613 7.613 7.916 -0.303 25830 3469 1 7 . 1 1 60 60 SER N N 60 114.297 114.297 115.179 -0.882 25830 3470 1 7 . 1 1 60 60 SER HA H 60 4.548 4.548 4.563 -0.015 25830 3471 1 7 . 1 1 60 60 SER C C 60 171.232 171.232 174.195 -2.963 25830 3472 1 7 . 1 1 60 60 SER CA C 60 55.817 55.817 57.467 -1.650 25830 3473 1 7 . 1 1 60 60 SER CB C 60 61.793 61.793 63.913 -2.120 25830 3474 1 7 . 1 1 60 60 SER H H 60 7.570 7.570 7.848 -0.278 25830 3475 1 7 . 1 1 61 61 ILE N N 61 125.096 125.096 125.538 -0.442 25830 3476 1 7 . 1 1 61 61 ILE HA H 61 4.272 4.272 4.435 -0.163 25830 3477 1 7 . 1 1 61 61 ILE C C 61 170.966 170.966 174.266 -3.300 25830 3478 1 7 . 1 1 61 61 ILE CA C 61 56.364 56.364 58.047 -1.683 25830 3479 1 7 . 1 1 61 61 ILE CB C 61 36.307 36.307 38.652 -2.345 25830 3480 1 7 . 1 1 61 61 ILE H H 61 7.222 7.222 7.419 -0.197 25830 3481 1 7 . 1 1 62 62 PRO HA H 62 4.317 4.317 4.492 -0.175 25830 3482 1 7 . 1 1 62 62 PRO C C 62 173.935 173.935 176.538 -2.603 25830 3483 1 7 . 1 1 62 62 PRO CA C 62 60.634 60.634 63.337 -2.703 25830 3484 1 7 . 1 1 62 62 PRO CB C 62 29.399 29.399 31.672 -2.273 25830 3485 1 7 . 1 1 63 63 LYS N N 63 115.837 115.837 117.408 -1.571 25830 3486 1 7 . 1 1 63 63 LYS HA H 63 3.916 3.916 3.805 0.111 25830 3487 1 7 . 1 1 63 63 LYS C C 63 172.800 172.800 176.123 -3.323 25830 3488 1 7 . 1 1 63 63 LYS CA C 63 53.303 53.303 56.705 -3.402 25830 3489 1 7 . 1 1 63 63 LYS CB C 63 26.973 26.973 30.305 -3.332 25830 3490 1 7 . 1 1 63 63 LYS H H 63 8.584 8.584 8.470 0.114 25830 3491 1 7 . 1 1 64 64 LEU N N 64 118.672 118.672 120.647 -1.975 25830 3492 1 7 . 1 1 64 64 LEU HA H 64 3.625 3.625 4.041 -0.416 25830 3493 1 7 . 1 1 64 64 LEU C C 64 173.690 173.690 175.898 -2.208 25830 3494 1 7 . 1 1 64 64 LEU CA C 64 53.929 53.929 55.625 -1.696 25830 3495 1 7 . 1 1 64 64 LEU CB C 64 39.878 39.878 42.134 -2.256 25830 3496 1 7 . 1 1 64 64 LEU H H 64 7.116 7.116 7.564 -0.448 25830 3497 1 7 . 1 1 65 65 ASN N N 65 125.562 125.562 126.786 -1.224 25830 3498 1 7 . 1 1 65 65 ASN HA H 65 4.879 4.879 4.842 0.037 25830 3499 1 7 . 1 1 65 65 ASN C C 65 174.338 174.338 176.262 -1.924 25830 3500 1 7 . 1 1 65 65 ASN CA C 65 48.862 48.862 52.050 -3.188 25830 3501 1 7 . 1 1 65 65 ASN CB C 65 34.238 34.238 38.719 -4.481 25830 3502 1 7 . 1 1 65 65 ASN H H 65 9.348 9.348 8.418 0.930 25830 3503 1 7 . 1 1 66 66 THR N N 66 118.448 118.448 120.180 -1.732 25830 3504 1 7 . 1 1 66 66 THR HA H 66 3.840 3.840 3.916 -0.076 25830 3505 1 7 . 1 1 66 66 THR C C 66 174.820 174.820 175.674 -0.854 25830 3506 1 7 . 1 1 66 66 THR CA C 66 62.576 62.576 66.139 -3.563 25830 3507 1 7 . 1 1 66 66 THR CB C 66 65.348 65.348 68.642 -3.294 25830 3508 1 7 . 1 1 66 66 THR H H 66 8.735 8.735 8.110 0.625 25830 3509 1 7 . 1 1 67 67 ASN N N 67 121.545 121.545 119.756 1.789 25830 3510 1 7 . 1 1 67 67 ASN HA H 67 4.460 4.460 4.498 -0.038 25830 3511 1 7 . 1 1 67 67 ASN C C 67 174.825 174.825 177.740 -2.915 25830 3512 1 7 . 1 1 67 67 ASN CA C 67 53.781 53.781 56.022 -2.241 25830 3513 1 7 . 1 1 67 67 ASN CB C 67 35.495 35.495 37.855 -2.360 25830 3514 1 7 . 1 1 67 67 ASN H H 67 8.229 8.229 8.477 -0.248 25830 3515 1 7 . 1 1 68 68 ASN N N 68 122.399 122.399 119.003 3.396 25830 3516 1 7 . 1 1 68 68 ASN HA H 68 4.463 4.463 4.472 -0.009 25830 3517 1 7 . 1 1 68 68 ASN C C 68 175.357 175.357 176.029 -0.672 25830 3518 1 7 . 1 1 68 68 ASN CA C 68 52.009 52.009 55.462 -3.453 25830 3519 1 7 . 1 1 68 68 ASN CB C 68 32.853 32.853 37.918 -5.065 25830 3520 1 7 . 1 1 68 68 ASN H H 68 7.153 7.153 7.887 -0.734 25830 3521 1 7 . 1 1 69 69 ALA N N 69 123.588 123.588 120.373 3.215 25830 3522 1 7 . 1 1 69 69 ALA HA H 69 3.930 3.930 4.054 -0.124 25830 3523 1 7 . 1 1 69 69 ALA C C 69 175.919 175.919 178.302 -2.383 25830 3524 1 7 . 1 1 69 69 ALA CA C 69 53.087 53.087 54.064 -0.977 25830 3525 1 7 . 1 1 69 69 ALA CB C 69 14.867 14.867 18.441 -3.574 25830 3526 1 7 . 1 1 69 69 ALA H H 69 7.942 7.942 7.408 0.534 25830 3527 1 7 . 1 1 70 70 ALA N N 70 117.736 117.736 119.679 -1.943 25830 3528 1 7 . 1 1 70 70 ALA HA H 70 4.250 4.250 4.282 -0.032 25830 3529 1 7 . 1 1 70 70 ALA C C 70 176.704 176.704 178.860 -2.156 25830 3530 1 7 . 1 1 70 70 ALA CA C 70 51.706 51.706 54.337 -2.631 25830 3531 1 7 . 1 1 70 70 ALA CB C 70 15.507 15.507 19.226 -3.719 25830 3532 1 7 . 1 1 70 70 ALA H H 70 7.574 7.574 7.463 0.111 25830 3533 1 7 . 1 1 71 71 ALA N N 71 117.858 117.858 120.871 -3.013 25830 3534 1 7 . 1 1 71 71 ALA HA H 71 4.321 4.321 4.415 -0.094 25830 3535 1 7 . 1 1 71 71 ALA C C 71 175.190 175.190 179.216 -4.026 25830 3536 1 7 . 1 1 71 71 ALA CA C 71 50.142 50.142 53.827 -3.685 25830 3537 1 7 . 1 1 71 71 ALA CB C 71 16.908 16.908 18.446 -1.538 25830 3538 1 7 . 1 1 71 71 ALA H H 71 7.676 7.676 7.430 0.246 25830 3539 1 7 . 1 1 72 72 LEU N N 72 117.566 117.566 122.280 -4.714 25830 3540 1 7 . 1 1 72 72 LEU HA H 72 4.097 4.097 4.233 -0.136 25830 3541 1 7 . 1 1 72 72 LEU C C 72 170.406 170.406 175.415 -5.009 25830 3542 1 7 . 1 1 72 72 LEU CA C 72 57.688 57.688 59.703 -2.015 25830 3543 1 7 . 1 1 72 72 LEU CB C 72 36.632 36.632 39.695 -3.063 25830 3544 1 7 . 1 1 72 72 LEU H H 72 7.494 7.494 7.774 -0.280 25830 3545 1 7 . 1 1 73 73 PRO HA H 73 3.793 3.793 4.332 -0.539 25830 3546 1 7 . 1 1 73 73 PRO C C 73 176.416 176.416 179.320 -2.904 25830 3547 1 7 . 1 1 73 73 PRO CA C 73 64.431 64.431 65.882 -1.451 25830 3548 1 7 . 1 1 73 73 PRO CB C 73 27.928 27.928 30.813 -2.885 25830 3549 1 7 . 1 1 74 74 GLY N N 74 106.170 106.170 107.536 -1.366 25830 3550 1 7 . 1 1 74 74 GLY C C 74 176.081 176.081 176.362 -0.281 25830 3551 1 7 . 1 1 74 74 GLY CA C 74 44.577 44.577 47.238 -2.661 25830 3552 1 7 . 1 1 74 74 GLY H H 74 8.374 8.374 7.866 0.508 25830 3553 1 7 . 1 1 75 75 LYS N N 75 121.379 121.379 119.507 1.872 25830 3554 1 7 . 1 1 75 75 LYS HA H 75 4.162 4.162 4.170 -0.008 25830 3555 1 7 . 1 1 75 75 LYS C C 75 175.735 175.735 178.397 -2.662 25830 3556 1 7 . 1 1 75 75 LYS CA C 75 56.053 56.053 58.078 -2.025 25830 3557 1 7 . 1 1 75 75 LYS CB C 75 30.087 30.087 32.131 -2.044 25830 3558 1 7 . 1 1 75 75 LYS H H 75 8.417 8.417 8.222 0.195 25830 3559 1 7 . 1 1 76 76 CYS N N 76 115.021 115.021 116.391 -1.370 25830 3560 1 7 . 1 1 76 76 CYS HA H 76 4.895 4.895 4.396 0.499 25830 3561 1 7 . 1 1 76 76 CYS C C 76 172.300 172.300 175.129 -2.829 25830 3562 1 7 . 1 1 76 76 CYS CA C 76 49.730 49.730 59.992 -10.262 25830 3563 1 7 . 1 1 76 76 CYS CB C 76 32.817 32.817 27.089 5.728 25830 3564 1 7 . 1 1 76 76 CYS H H 76 7.756 7.756 7.658 0.098 25830 3565 1 7 . 1 1 77 77 GLY N N 77 109.352 109.352 107.459 1.893 25830 3566 1 7 . 1 1 77 77 GLY C C 77 171.753 171.753 174.261 -2.508 25830 3567 1 7 . 1 1 77 77 GLY CA C 77 43.794 43.794 45.350 -1.556 25830 3568 1 7 . 1 1 77 77 GLY H H 77 7.894 7.894 7.698 0.196 25830 3569 1 7 . 1 1 78 78 VAL N N 78 115.528 115.528 116.078 -0.550 25830 3570 1 7 . 1 1 78 78 VAL HA H 78 4.491 4.491 4.499 -0.008 25830 3571 1 7 . 1 1 78 78 VAL C C 78 171.256 171.256 174.690 -3.434 25830 3572 1 7 . 1 1 78 78 VAL CA C 78 56.800 56.800 60.503 -3.703 25830 3573 1 7 . 1 1 78 78 VAL CB C 78 31.741 31.741 33.278 -1.537 25830 3574 1 7 . 1 1 78 78 VAL H H 78 8.137 8.137 7.485 0.652 25830 3575 1 7 . 1 1 79 79 SER N N 79 116.418 116.418 119.924 -3.506 25830 3576 1 7 . 1 1 79 79 SER HA H 79 4.583 4.583 4.666 -0.083 25830 3577 1 7 . 1 1 79 79 SER C C 79 170.681 170.681 173.934 -3.253 25830 3578 1 7 . 1 1 79 79 SER CA C 79 54.258 54.258 57.426 -3.168 25830 3579 1 7 . 1 1 79 79 SER CB C 79 61.468 61.468 63.929 -2.461 25830 3580 1 7 . 1 1 79 79 SER H H 79 8.124 8.124 8.262 -0.138 25830 3581 1 7 . 1 1 80 80 ILE N N 80 120.257 120.257 123.780 -3.523 25830 3582 1 7 . 1 1 80 80 ILE HA H 80 4.639 4.639 4.452 0.186 25830 3583 1 7 . 1 1 80 80 ILE C C 80 172.830 172.830 174.514 -1.684 25830 3584 1 7 . 1 1 80 80 ILE CA C 80 55.333 55.333 57.227 -1.894 25830 3585 1 7 . 1 1 80 80 ILE CB C 80 38.093 38.093 37.030 1.063 25830 3586 1 7 . 1 1 80 80 ILE H H 80 8.089 8.089 8.240 -0.151 25830 3587 1 7 . 1 1 81 81 PRO HA H 81 4.547 4.547 4.402 0.145 25830 3588 1 7 . 1 1 81 81 PRO C C 81 171.325 171.325 175.710 -4.385 25830 3589 1 7 . 1 1 81 81 PRO CA C 81 60.903 60.903 63.739 -2.836 25830 3590 1 7 . 1 1 81 81 PRO CB C 81 27.693 27.693 31.946 -4.253 25830 3591 1 7 . 1 1 82 82 TYR N N 82 115.259 115.259 115.758 -0.499 25830 3592 1 7 . 1 1 82 82 TYR HA H 82 4.732 4.732 4.754 -0.022 25830 3593 1 7 . 1 1 82 82 TYR C C 82 170.187 170.187 173.984 -3.797 25830 3594 1 7 . 1 1 82 82 TYR CA C 82 51.930 51.930 55.232 -3.302 25830 3595 1 7 . 1 1 82 82 TYR CB C 82 37.275 37.275 39.796 -2.521 25830 3596 1 7 . 1 1 82 82 TYR H H 82 6.642 6.642 6.889 -0.247 25830 3597 1 7 . 1 1 83 83 LYS N N 83 116.992 116.992 118.388 -1.396 25830 3598 1 7 . 1 1 83 83 LYS HA H 83 4.464 4.464 4.735 -0.271 25830 3599 1 7 . 1 1 83 83 LYS C C 83 174.342 174.342 175.791 -1.449 25830 3600 1 7 . 1 1 83 83 LYS CA C 83 51.653 51.653 54.597 -2.944 25830 3601 1 7 . 1 1 83 83 LYS CB C 83 31.513 31.513 36.309 -4.795 25830 3602 1 7 . 1 1 83 83 LYS H H 83 8.301 8.301 8.447 -0.146 25830 3603 1 7 . 1 1 84 84 ILE N N 84 126.906 126.906 122.201 4.705 25830 3604 1 7 . 1 1 84 84 ILE HA H 84 3.913 3.913 4.232 -0.319 25830 3605 1 7 . 1 1 84 84 ILE C C 84 170.945 170.945 174.767 -3.822 25830 3606 1 7 . 1 1 84 84 ILE CA C 84 59.761 59.761 61.578 -1.817 25830 3607 1 7 . 1 1 84 84 ILE CB C 84 33.534 33.534 36.614 -3.080 25830 3608 1 7 . 1 1 84 84 ILE H H 84 9.304 9.304 8.550 0.754 25830 3609 1 7 . 1 1 85 85 SER N N 85 120.246 120.246 120.180 0.066 25830 3610 1 7 . 1 1 85 85 SER HA H 85 4.563 4.563 4.814 -0.251 25830 3611 1 7 . 1 1 85 85 SER C C 85 171.695 171.695 174.696 -3.001 25830 3612 1 7 . 1 1 85 85 SER CA C 85 53.394 53.394 57.205 -3.811 25830 3613 1 7 . 1 1 85 85 SER CB C 85 61.638 61.638 66.120 -4.482 25830 3614 1 7 . 1 1 85 85 SER H H 85 7.256 7.256 8.008 -0.752 25830 3615 1 7 . 1 1 86 86 THR N N 86 115.458 115.458 115.768 -0.310 25830 3616 1 7 . 1 1 86 86 THR HA H 86 4.147 4.147 4.180 -0.033 25830 3617 1 7 . 1 1 86 86 THR C C 86 172.663 172.663 175.229 -2.566 25830 3618 1 7 . 1 1 86 86 THR CA C 86 61.527 61.527 64.252 -2.725 25830 3619 1 7 . 1 1 86 86 THR CB C 86 65.858 65.858 68.921 -3.063 25830 3620 1 7 . 1 1 86 86 THR H H 86 8.819 8.819 8.640 0.179 25830 3621 1 7 . 1 1 87 87 SER N N 87 114.029 114.029 115.290 -1.261 25830 3622 1 7 . 1 1 87 87 SER HA H 87 4.524 4.524 4.549 -0.025 25830 3623 1 7 . 1 1 87 87 SER C C 87 172.010 172.010 174.002 -1.992 25830 3624 1 7 . 1 1 87 87 SER CA C 87 55.408 55.408 57.618 -2.210 25830 3625 1 7 . 1 1 87 87 SER CB C 87 61.144 61.144 63.178 -2.034 25830 3626 1 7 . 1 1 87 87 SER H H 87 8.239 8.239 7.739 0.500 25830 3627 1 7 . 1 1 88 88 THR N N 88 120.831 120.831 118.100 2.731 25830 3628 1 7 . 1 1 88 88 THR HA H 88 3.808 3.808 4.380 -0.572 25830 3629 1 7 . 1 1 88 88 THR C C 88 181.273 181.273 174.598 6.675 25830 3630 1 7 . 1 1 88 88 THR CA C 88 61.409 61.409 62.852 -1.444 25830 3631 1 7 . 1 1 88 88 THR CB C 88 67.556 67.556 69.504 -1.948 25830 3632 1 7 . 1 1 88 88 THR H H 88 7.142 7.142 7.416 -0.274 25830 3633 1 7 . 1 1 89 89 ASN N N 89 124.818 124.818 123.145 1.673 25830 3634 1 7 . 1 1 89 89 ASN HA H 89 4.819 4.819 4.758 0.061 25830 3635 1 7 . 1 1 89 89 ASN C C 89 173.325 173.325 176.208 -2.883 25830 3636 1 7 . 1 1 89 89 ASN CA C 89 48.483 48.483 52.114 -3.631 25830 3637 1 7 . 1 1 89 89 ASN CB C 89 34.958 34.958 37.794 -2.836 25830 3638 1 7 . 1 1 89 89 ASN H H 89 8.754 8.754 8.695 0.059 25830 3639 1 7 . 1 1 90 90 CYS N N 90 123.361 123.361 119.516 3.845 25830 3640 1 7 . 1 1 90 90 CYS HA H 90 4.174 4.174 4.235 -0.061 25830 3641 1 7 . 1 1 90 90 CYS C C 90 172.573 172.573 176.157 -3.584 25830 3642 1 7 . 1 1 90 90 CYS CA C 90 54.158 54.158 60.802 -6.644 25830 3643 1 7 . 1 1 90 90 CYS CB C 90 36.687 36.687 26.547 10.139 25830 3644 1 7 . 1 1 90 90 CYS H H 90 8.790 8.790 7.771 1.019 25830 3645 1 7 . 1 1 91 91 ASN N N 91 115.199 115.199 116.065 -0.866 25830 3646 1 7 . 1 1 91 91 ASN HA H 91 4.578 4.578 4.513 0.065 25830 3647 1 7 . 1 1 91 91 ASN C C 91 173.584 173.584 176.431 -2.847 25830 3648 1 7 . 1 1 91 91 ASN CA C 91 52.264 52.264 55.455 -3.191 25830 3649 1 7 . 1 1 91 91 ASN CB C 91 35.690 35.690 38.371 -2.681 25830 3650 1 7 . 1 1 91 91 ASN H H 91 8.320 8.320 8.557 -0.237 25830 3651 1 7 . 1 1 92 92 THR N N 92 107.497 107.497 110.273 -2.776 25830 3652 1 7 . 1 1 92 92 THR HA H 92 4.388 4.388 4.342 0.046 25830 3653 1 7 . 1 1 92 92 THR C C 92 171.702 171.702 174.587 -2.885 25830 3654 1 7 . 1 1 92 92 THR CA C 92 58.280 58.280 62.267 -3.986 25830 3655 1 7 . 1 1 92 92 THR CB C 92 66.107 66.107 70.180 -4.073 25830 3656 1 7 . 1 1 92 92 THR H H 92 7.338 7.338 7.652 -0.314 25830 3657 1 7 . 1 1 93 93 VAL N N 93 123.151 123.151 121.685 1.466 25830 3658 1 7 . 1 1 93 93 VAL HA H 93 3.667 3.667 3.943 -0.276 25830 3659 1 7 . 1 1 93 93 VAL C C 93 172.207 172.207 176.074 -3.867 25830 3660 1 7 . 1 1 93 93 VAL CA C 93 59.846 59.846 62.721 -2.875 25830 3661 1 7 . 1 1 93 93 VAL CB C 93 29.999 29.999 32.513 -2.514 25830 3662 1 7 . 1 1 93 93 VAL H H 93 6.806 6.806 6.975 -0.169 25830 3663 1 7 . 1 1 94 94 ARG N N 94 127.129 127.129 125.042 2.087 25830 3664 1 7 . 1 1 94 94 ARG HA H 94 4.339 4.339 3.934 0.405 25830 3665 1 7 . 1 1 94 94 ARG C C 94 171.859 171.859 176.218 -4.359 25830 3666 1 7 . 1 1 94 94 ARG CA C 94 52.395 52.395 55.917 -3.522 25830 3667 1 7 . 1 1 94 94 ARG CB C 94 26.973 26.973 30.878 -3.905 25830 3668 1 7 . 1 1 94 94 ARG H H 94 8.201 8.201 8.235 -0.034 25830 3669 1 8 . 1 1 2 2 LEU N N 2 123.438 123.438 123.448 -0.010 25830 3670 1 8 . 1 1 2 2 LEU HA H 2 4.344 4.344 4.615 -0.271 25830 3671 1 8 . 1 1 2 2 LEU C C 2 172.388 172.388 176.664 -4.276 25830 3672 1 8 . 1 1 2 2 LEU CA C 2 52.560 52.560 54.879 -2.319 25830 3673 1 8 . 1 1 2 2 LEU CB C 2 40.603 40.603 42.449 -1.846 25830 3674 1 8 . 1 1 2 2 LEU H H 2 8.368 8.368 8.539 -0.171 25830 3675 1 8 . 1 1 3 3 SER N N 3 119.868 119.868 119.116 0.752 25830 3676 1 8 . 1 1 3 3 SER HA H 3 4.748 4.748 4.713 0.035 25830 3677 1 8 . 1 1 3 3 SER C C 3 173.163 173.163 175.225 -2.062 25830 3678 1 8 . 1 1 3 3 SER CA C 3 53.523 53.523 56.996 -3.474 25830 3679 1 8 . 1 1 3 3 SER CB C 3 62.412 62.412 65.939 -3.527 25830 3680 1 8 . 1 1 3 3 SER H H 3 8.550 8.550 8.365 0.185 25830 3681 1 8 . 1 1 4 4 CYS N N 4 120.408 120.408 122.713 -2.305 25830 3682 1 8 . 1 1 4 4 CYS HA H 4 4.586 4.586 4.254 0.332 25830 3683 1 8 . 1 1 4 4 CYS C C 4 175.067 175.067 177.495 -2.428 25830 3684 1 8 . 1 1 4 4 CYS CA C 4 52.166 52.166 61.752 -9.586 25830 3685 1 8 . 1 1 4 4 CYS CB C 4 30.372 30.372 26.600 3.772 25830 3686 1 8 . 1 1 4 4 CYS H H 4 9.222 9.222 9.057 0.165 25830 3687 1 8 . 1 1 5 5 GLY N N 5 110.663 110.663 106.107 4.556 25830 3688 1 8 . 1 1 5 5 GLY C C 5 174.023 174.023 175.827 -1.804 25830 3689 1 8 . 1 1 5 5 GLY CA C 5 44.577 44.577 47.541 -2.964 25830 3690 1 8 . 1 1 5 5 GLY H H 5 8.721 8.721 8.752 -0.031 25830 3691 1 8 . 1 1 6 6 THR N N 6 118.884 118.884 115.799 3.085 25830 3692 1 8 . 1 1 6 6 THR HA H 6 4.031 4.031 4.358 -0.327 25830 3693 1 8 . 1 1 6 6 THR C C 6 172.782 172.782 175.857 -3.075 25830 3694 1 8 . 1 1 6 6 THR CA C 6 62.801 62.801 64.572 -1.770 25830 3695 1 8 . 1 1 6 6 THR CB C 6 65.896 65.896 69.322 -3.426 25830 3696 1 8 . 1 1 6 6 THR H H 6 7.676 7.676 7.387 0.289 25830 3697 1 8 . 1 1 7 7 VAL N N 7 120.789 120.789 121.742 -0.953 25830 3698 1 8 . 1 1 7 7 VAL HA H 7 3.607 3.607 3.701 -0.094 25830 3699 1 8 . 1 1 7 7 VAL C C 7 174.356 174.356 178.722 -4.366 25830 3700 1 8 . 1 1 7 7 VAL CA C 7 63.774 63.774 66.260 -2.486 25830 3701 1 8 . 1 1 7 7 VAL CB C 7 28.610 28.610 31.145 -2.535 25830 3702 1 8 . 1 1 7 7 VAL H H 7 7.280 7.280 7.476 -0.196 25830 3703 1 8 . 1 1 8 8 SER N N 8 114.047 114.047 115.917 -1.870 25830 3704 1 8 . 1 1 8 8 SER HA H 8 3.858 3.858 4.157 -0.299 25830 3705 1 8 . 1 1 8 8 SER C C 8 173.948 173.948 175.992 -2.044 25830 3706 1 8 . 1 1 8 8 SER CA C 8 59.791 59.791 61.800 -2.009 25830 3707 1 8 . 1 1 8 8 SER CB C 8 59.242 59.242 62.644 -3.402 25830 3708 1 8 . 1 1 8 8 SER H H 8 8.501 8.501 8.230 0.271 25830 3709 1 8 . 1 1 9 9 ALA N N 9 123.669 123.669 123.410 0.259 25830 3710 1 8 . 1 1 9 9 ALA HA H 9 4.165 4.165 4.142 0.023 25830 3711 1 8 . 1 1 9 9 ALA C C 9 177.740 177.740 178.740 -1.000 25830 3712 1 8 . 1 1 9 9 ALA CA C 9 52.218 52.218 54.611 -2.393 25830 3713 1 8 . 1 1 9 9 ALA CB C 9 15.348 15.348 18.134 -2.786 25830 3714 1 8 . 1 1 9 9 ALA H H 9 7.685 7.685 7.443 0.242 25830 3715 1 8 . 1 1 10 10 ASP N N 10 118.653 118.653 118.128 0.525 25830 3716 1 8 . 1 1 10 10 ASP HA H 10 4.414 4.414 4.572 -0.158 25830 3717 1 8 . 1 1 10 10 ASP C C 10 173.327 173.327 177.663 -4.336 25830 3718 1 8 . 1 1 10 10 ASP CA C 10 53.357 53.357 56.117 -2.760 25830 3719 1 8 . 1 1 10 10 ASP CB C 10 35.579 35.579 41.301 -5.722 25830 3720 1 8 . 1 1 10 10 ASP H H 10 8.161 8.161 7.883 0.278 25830 3721 1 8 . 1 1 11 11 LEU N N 11 115.104 115.104 119.667 -4.563 25830 3722 1 8 . 1 1 11 11 LEU HA H 11 4.183 4.183 4.137 0.046 25830 3723 1 8 . 1 1 11 11 LEU C C 11 175.206 175.206 178.428 -3.222 25830 3724 1 8 . 1 1 11 11 LEU CA C 11 51.360 51.360 56.445 -5.085 25830 3725 1 8 . 1 1 11 11 LEU CB C 11 40.185 40.185 41.925 -1.740 25830 3726 1 8 . 1 1 11 11 LEU H H 11 7.731 7.731 7.277 0.454 25830 3727 1 8 . 1 1 12 12 ALA N N 12 124.133 124.133 122.750 1.383 25830 3728 1 8 . 1 1 12 12 ALA HA H 12 4.309 4.309 4.148 0.161 25830 3729 1 8 . 1 1 12 12 ALA C C 12 174.540 174.540 176.887 -2.347 25830 3730 1 8 . 1 1 12 12 ALA CA C 12 54.075 54.075 56.718 -2.643 25830 3731 1 8 . 1 1 12 12 ALA CB C 12 13.256 13.256 16.383 -3.127 25830 3732 1 8 . 1 1 12 12 ALA H H 12 7.481 7.481 8.243 -0.762 25830 3733 1 8 . 1 1 13 13 PRO HA H 13 4.674 4.674 4.478 0.196 25830 3734 1 8 . 1 1 13 13 PRO C C 13 174.824 174.824 176.655 -1.831 25830 3735 1 8 . 1 1 13 13 PRO CA C 13 61.982 61.982 64.515 -2.533 25830 3736 1 8 . 1 1 13 13 PRO CB C 13 28.804 28.804 31.241 -2.437 25830 3737 1 8 . 1 1 14 14 CYS N N 14 114.225 114.225 116.981 -2.756 25830 3738 1 8 . 1 1 14 14 CYS HA H 14 4.722 4.722 4.637 0.085 25830 3739 1 8 . 1 1 14 14 CYS C C 14 172.376 172.376 176.744 -4.368 25830 3740 1 8 . 1 1 14 14 CYS CA C 14 51.481 51.481 60.269 -8.788 25830 3741 1 8 . 1 1 14 14 CYS CB C 14 39.508 39.508 27.428 12.080 25830 3742 1 8 . 1 1 14 14 CYS H H 14 8.938 8.938 7.588 1.350 25830 3743 1 8 . 1 1 15 15 VAL N N 15 122.488 122.488 121.956 0.532 25830 3744 1 8 . 1 1 15 15 VAL HA H 15 3.350 3.350 3.535 -0.185 25830 3745 1 8 . 1 1 15 15 VAL C C 15 173.644 173.644 177.336 -3.692 25830 3746 1 8 . 1 1 15 15 VAL CA C 15 66.608 66.608 67.485 -0.877 25830 3747 1 8 . 1 1 15 15 VAL CB C 15 28.692 28.692 31.656 -2.964 25830 3748 1 8 . 1 1 15 15 VAL H H 15 7.767 7.767 8.090 -0.323 25830 3749 1 8 . 1 1 16 16 THR N N 16 112.169 112.169 114.802 -2.633 25830 3750 1 8 . 1 1 16 16 THR HA H 16 4.012 4.012 3.935 0.077 25830 3751 1 8 . 1 1 16 16 THR C C 16 175.021 175.021 175.811 -0.790 25830 3752 1 8 . 1 1 16 16 THR CA C 16 63.879 63.879 66.277 -2.398 25830 3753 1 8 . 1 1 16 16 THR CB C 16 65.364 65.364 68.978 -3.614 25830 3754 1 8 . 1 1 16 16 THR H H 16 8.258 8.258 7.986 0.272 25830 3755 1 8 . 1 1 17 17 TYR N N 17 124.563 124.563 119.876 4.687 25830 3756 1 8 . 1 1 17 17 TYR HA H 17 4.265 4.265 4.369 -0.104 25830 3757 1 8 . 1 1 17 17 TYR C C 17 174.326 174.326 177.423 -3.097 25830 3758 1 8 . 1 1 17 17 TYR CA C 17 58.001 58.001 60.151 -2.150 25830 3759 1 8 . 1 1 17 17 TYR CB C 17 35.252 35.252 38.363 -3.111 25830 3760 1 8 . 1 1 17 17 TYR H H 17 8.280 8.280 8.183 0.097 25830 3761 1 8 . 1 1 18 18 LEU N N 18 119.213 119.213 118.954 0.259 25830 3762 1 8 . 1 1 18 18 LEU HA H 18 3.630 3.630 3.768 -0.138 25830 3763 1 8 . 1 1 18 18 LEU C C 18 172.858 172.858 177.824 -4.966 25830 3764 1 8 . 1 1 18 18 LEU CA C 18 54.171 54.171 56.969 -2.798 25830 3765 1 8 . 1 1 18 18 LEU CB C 18 38.310 38.310 41.820 -3.510 25830 3766 1 8 . 1 1 18 18 LEU H H 18 8.394 8.394 7.672 0.722 25830 3767 1 8 . 1 1 19 19 GLN N N 19 114.782 114.782 113.798 0.984 25830 3768 1 8 . 1 1 19 19 GLN HA H 19 4.582 4.582 4.566 0.016 25830 3769 1 8 . 1 1 19 19 GLN C C 19 172.754 172.754 175.523 -2.769 25830 3770 1 8 . 1 1 19 19 GLN CA C 19 52.320 52.320 55.041 -2.721 25830 3771 1 8 . 1 1 19 19 GLN CB C 19 27.954 27.954 29.562 -1.608 25830 3772 1 8 . 1 1 19 19 GLN H H 19 7.319 7.319 7.455 -0.136 25830 3773 1 8 . 1 1 20 20 ALA N N 20 126.473 126.473 124.323 2.150 25830 3774 1 8 . 1 1 20 20 ALA HA H 20 4.494 4.494 4.590 -0.096 25830 3775 1 8 . 1 1 20 20 ALA C C 20 171.072 171.072 175.491 -4.419 25830 3776 1 8 . 1 1 20 20 ALA CA C 20 48.862 48.862 50.215 -1.353 25830 3777 1 8 . 1 1 20 20 ALA CB C 20 15.610 15.610 18.565 -2.955 25830 3778 1 8 . 1 1 20 20 ALA H H 20 7.292 7.292 7.163 0.129 25830 3779 1 8 . 1 1 21 21 PRO HA H 21 4.440 4.440 4.428 0.012 25830 3780 1 8 . 1 1 21 21 PRO C C 21 174.052 174.052 177.096 -3.044 25830 3781 1 8 . 1 1 21 21 PRO CA C 21 59.522 59.522 61.842 -2.320 25830 3782 1 8 . 1 1 21 21 PRO CB C 21 29.853 29.853 32.438 -2.585 25830 3783 1 8 . 1 1 22 22 ASN N N 22 117.448 117.448 117.915 -0.467 25830 3784 1 8 . 1 1 22 22 ASN HA H 22 4.754 4.754 4.536 0.218 25830 3785 1 8 . 1 1 22 22 ASN C C 22 173.299 173.299 175.617 -2.318 25830 3786 1 8 . 1 1 22 22 ASN CA C 22 51.478 51.478 55.642 -4.164 25830 3787 1 8 . 1 1 22 22 ASN CB C 22 35.291 35.291 38.235 -2.944 25830 3788 1 8 . 1 1 22 22 ASN H H 22 8.466 8.466 8.757 -0.291 25830 3789 1 8 . 1 1 23 23 ASN N N 23 113.171 113.171 114.368 -1.197 25830 3790 1 8 . 1 1 23 23 ASN HA H 23 4.555 4.555 4.607 -0.052 25830 3791 1 8 . 1 1 23 23 ASN C C 23 172.210 172.210 175.031 -2.821 25830 3792 1 8 . 1 1 23 23 ASN CA C 23 50.626 50.626 53.138 -2.512 25830 3793 1 8 . 1 1 23 23 ASN CB C 23 34.278 34.278 38.037 -3.759 25830 3794 1 8 . 1 1 23 23 ASN H H 23 8.187 8.187 8.003 0.184 25830 3795 1 8 . 1 1 24 24 ALA N N 24 122.578 122.578 123.601 -1.023 25830 3796 1 8 . 1 1 24 24 ALA HA H 24 4.394 4.394 4.552 -0.158 25830 3797 1 8 . 1 1 24 24 ALA C C 24 173.708 173.708 176.867 -3.159 25830 3798 1 8 . 1 1 24 24 ALA CA C 24 49.696 49.696 51.954 -2.258 25830 3799 1 8 . 1 1 24 24 ALA CB C 24 18.288 18.288 20.122 -1.834 25830 3800 1 8 . 1 1 24 24 ALA H H 24 7.381 7.381 7.683 -0.302 25830 3801 1 8 . 1 1 25 25 SER N N 25 115.237 115.237 116.075 -0.838 25830 3802 1 8 . 1 1 25 25 SER HA H 25 4.922 4.922 4.697 0.225 25830 3803 1 8 . 1 1 25 25 SER C C 25 181.107 181.107 172.307 8.800 25830 3804 1 8 . 1 1 25 25 SER CA C 25 53.033 53.033 55.073 -2.040 25830 3805 1 8 . 1 1 25 25 SER CB C 25 61.549 61.549 64.742 -3.192 25830 3806 1 8 . 1 1 25 25 SER H H 25 8.649 8.649 8.494 0.155 25830 3807 1 8 . 1 1 26 26 PRO HA H 26 4.014 4.014 4.345 -0.331 25830 3808 1 8 . 1 1 26 26 PRO CA C 26 57.292 57.292 61.057 -3.765 25830 3809 1 8 . 1 1 26 26 PRO CB C 26 27.450 27.450 30.966 -3.516 25830 3810 1 8 . 1 1 27 27 PRO HA H 27 4.881 4.881 4.725 0.156 25830 3811 1 8 . 1 1 27 27 PRO CA C 27 58.500 58.500 60.879 -2.379 25830 3812 1 8 . 1 1 27 27 PRO CB C 27 28.489 28.489 30.866 -2.377 25830 3813 1 8 . 1 1 28 28 PRO HA H 28 4.421 4.421 4.257 0.164 25830 3814 1 8 . 1 1 28 28 PRO CA C 28 64.505 64.505 66.534 -2.029 25830 3815 1 8 . 1 1 28 28 PRO CB C 28 26.217 26.217 29.772 -3.555 25830 3816 1 8 . 1 1 29 29 PRO HA H 29 4.477 4.477 4.395 0.082 25830 3817 1 8 . 1 1 29 29 PRO C C 29 177.330 177.330 178.596 -1.266 25830 3818 1 8 . 1 1 29 29 PRO CA C 29 62.883 62.883 65.218 -2.335 25830 3819 1 8 . 1 1 29 29 PRO CB C 29 28.301 28.301 31.187 -2.886 25830 3820 1 8 . 1 1 30 30 CYS N N 30 114.694 114.694 117.882 -3.188 25830 3821 1 8 . 1 1 30 30 CYS HA H 30 4.456 4.456 4.295 0.161 25830 3822 1 8 . 1 1 30 30 CYS C C 30 172.260 172.260 176.715 -4.455 25830 3823 1 8 . 1 1 30 30 CYS CA C 30 55.585 55.585 61.267 -5.682 25830 3824 1 8 . 1 1 30 30 CYS CB C 30 34.602 34.602 25.845 8.757 25830 3825 1 8 . 1 1 30 30 CYS H H 30 7.637 7.637 7.624 0.013 25830 3826 1 8 . 1 1 31 31 CYS N N 31 116.335 116.335 120.374 -4.039 25830 3827 1 8 . 1 1 31 31 CYS HA H 31 4.607 4.607 4.092 0.515 25830 3828 1 8 . 1 1 31 31 CYS C C 31 174.401 174.401 177.192 -2.791 25830 3829 1 8 . 1 1 31 31 CYS CA C 31 51.858 51.858 62.631 -10.773 25830 3830 1 8 . 1 1 31 31 CYS CB C 31 29.979 29.979 25.608 4.371 25830 3831 1 8 . 1 1 31 31 CYS H H 31 7.083 7.083 7.992 -0.909 25830 3832 1 8 . 1 1 32 32 ALA N N 32 121.738 121.738 121.520 0.218 25830 3833 1 8 . 1 1 32 32 ALA HA H 32 4.070 4.070 3.980 0.090 25830 3834 1 8 . 1 1 32 32 ALA C C 32 177.730 177.730 179.422 -1.692 25830 3835 1 8 . 1 1 32 32 ALA CA C 32 52.557 52.557 55.209 -2.652 25830 3836 1 8 . 1 1 32 32 ALA CB C 32 15.204 15.204 18.002 -2.798 25830 3837 1 8 . 1 1 32 32 ALA H H 32 8.481 8.481 7.826 0.655 25830 3838 1 8 . 1 1 33 33 GLY N N 33 108.715 108.715 106.756 1.959 25830 3839 1 8 . 1 1 33 33 GLY C C 33 172.825 172.825 176.311 -3.486 25830 3840 1 8 . 1 1 33 33 GLY CA C 33 44.748 44.748 47.232 -2.484 25830 3841 1 8 . 1 1 33 33 GLY H H 33 7.683 7.683 7.700 -0.017 25830 3842 1 8 . 1 1 34 34 VAL N N 34 121.079 121.079 121.304 -0.225 25830 3843 1 8 . 1 1 34 34 VAL HA H 34 3.489 3.489 3.666 -0.177 25830 3844 1 8 . 1 1 34 34 VAL C C 34 174.764 174.764 178.605 -3.841 25830 3845 1 8 . 1 1 34 34 VAL CA C 34 63.930 63.930 66.037 -2.107 25830 3846 1 8 . 1 1 34 34 VAL CB C 34 29.037 29.037 31.317 -2.280 25830 3847 1 8 . 1 1 34 34 VAL H H 34 8.085 8.085 7.626 0.459 25830 3848 1 8 . 1 1 35 35 LYS N N 35 117.845 117.845 119.755 -1.910 25830 3849 1 8 . 1 1 35 35 LYS HA H 35 3.814 3.814 4.067 -0.254 25830 3850 1 8 . 1 1 35 35 LYS C C 35 176.677 176.677 178.781 -2.104 25830 3851 1 8 . 1 1 35 35 LYS CA C 35 57.849 57.849 59.272 -1.423 25830 3852 1 8 . 1 1 35 35 LYS CB C 35 29.635 29.635 31.945 -2.310 25830 3853 1 8 . 1 1 35 35 LYS H H 35 8.089 8.089 7.521 0.568 25830 3854 1 8 . 1 1 36 36 LYS N N 36 120.507 120.507 120.764 -0.257 25830 3855 1 8 . 1 1 36 36 LYS HA H 36 3.946 3.946 4.061 -0.115 25830 3856 1 8 . 1 1 36 36 LYS C C 36 176.481 176.481 178.086 -1.605 25830 3857 1 8 . 1 1 36 36 LYS CA C 36 56.889 56.889 58.691 -1.802 25830 3858 1 8 . 1 1 36 36 LYS CB C 36 29.999 29.999 32.030 -2.031 25830 3859 1 8 . 1 1 36 36 LYS H H 36 7.940 7.940 7.837 0.103 25830 3860 1 8 . 1 1 37 37 LEU N N 37 121.929 121.929 120.300 1.629 25830 3861 1 8 . 1 1 37 37 LEU HA H 37 4.012 4.012 3.991 0.021 25830 3862 1 8 . 1 1 37 37 LEU C C 37 175.490 175.490 178.514 -3.024 25830 3863 1 8 . 1 1 37 37 LEU CA C 37 55.567 55.567 57.953 -2.385 25830 3864 1 8 . 1 1 37 37 LEU CB C 37 38.621 38.621 40.919 -2.298 25830 3865 1 8 . 1 1 37 37 LEU H H 37 7.882 7.882 7.493 0.389 25830 3866 1 8 . 1 1 38 38 LEU N N 38 117.061 117.061 120.076 -3.015 25830 3867 1 8 . 1 1 38 38 LEU HA H 38 4.050 4.050 3.988 0.062 25830 3868 1 8 . 1 1 38 38 LEU C C 38 177.275 177.275 178.386 -1.111 25830 3869 1 8 . 1 1 38 38 LEU CA C 38 54.535 54.535 58.019 -3.484 25830 3870 1 8 . 1 1 38 38 LEU CB C 38 38.448 38.448 41.204 -2.756 25830 3871 1 8 . 1 1 38 38 LEU H H 38 7.812 7.812 8.000 -0.188 25830 3872 1 8 . 1 1 39 39 ALA N N 39 119.986 119.986 118.959 1.027 25830 3873 1 8 . 1 1 39 39 ALA HA H 39 4.105 4.105 4.271 -0.166 25830 3874 1 8 . 1 1 39 39 ALA C C 39 175.721 175.721 178.172 -2.451 25830 3875 1 8 . 1 1 39 39 ALA CA C 39 50.910 50.910 52.891 -1.981 25830 3876 1 8 . 1 1 39 39 ALA CB C 39 15.545 15.545 19.277 -3.732 25830 3877 1 8 . 1 1 39 39 ALA H H 39 7.914 7.914 7.606 0.308 25830 3878 1 8 . 1 1 40 40 ALA N N 40 118.015 118.015 122.006 -3.991 25830 3879 1 8 . 1 1 40 40 ALA HA H 40 4.266 4.266 4.117 0.149 25830 3880 1 8 . 1 1 40 40 ALA C C 40 174.416 174.416 177.506 -3.090 25830 3881 1 8 . 1 1 40 40 ALA CA C 40 49.886 49.886 53.599 -3.713 25830 3882 1 8 . 1 1 40 40 ALA CB C 40 16.330 16.330 19.973 -3.643 25830 3883 1 8 . 1 1 40 40 ALA H H 40 7.302 7.302 7.723 -0.421 25830 3884 1 8 . 1 1 41 41 ALA N N 41 122.389 122.389 119.114 3.275 25830 3885 1 8 . 1 1 41 41 ALA HA H 41 4.605 4.605 4.229 0.376 25830 3886 1 8 . 1 1 41 41 ALA C C 41 172.709 172.709 177.506 -4.797 25830 3887 1 8 . 1 1 41 41 ALA CA C 41 47.917 47.917 52.369 -4.452 25830 3888 1 8 . 1 1 41 41 ALA CB C 41 15.072 15.072 20.174 -5.102 25830 3889 1 8 . 1 1 41 41 ALA H H 41 7.304 7.304 7.835 -0.531 25830 3890 1 8 . 1 1 42 42 THR N N 42 113.142 113.142 113.925 -0.783 25830 3891 1 8 . 1 1 42 42 THR HA H 42 4.422 4.422 4.330 0.092 25830 3892 1 8 . 1 1 42 42 THR C C 42 172.086 172.086 175.151 -3.065 25830 3893 1 8 . 1 1 42 42 THR CA C 42 59.772 59.772 62.675 -2.903 25830 3894 1 8 . 1 1 42 42 THR CB C 42 66.992 66.992 69.210 -2.218 25830 3895 1 8 . 1 1 42 42 THR H H 42 8.663 8.663 8.487 0.176 25830 3896 1 8 . 1 1 43 43 THR N N 43 111.501 111.501 112.214 -0.713 25830 3897 1 8 . 1 1 43 43 THR HA H 43 4.704 4.704 4.543 0.161 25830 3898 1 8 . 1 1 43 43 THR C C 43 172.283 172.283 174.937 -2.654 25830 3899 1 8 . 1 1 43 43 THR CA C 43 56.869 56.869 60.681 -3.812 25830 3900 1 8 . 1 1 43 43 THR CB C 43 69.211 69.211 70.513 -1.302 25830 3901 1 8 . 1 1 43 43 THR H H 43 7.705 7.705 7.578 0.127 25830 3902 1 8 . 1 1 44 44 THR N N 44 119.157 119.157 115.720 3.437 25830 3903 1 8 . 1 1 44 44 THR HA H 44 3.861 3.861 4.300 -0.439 25830 3904 1 8 . 1 1 44 44 THR CA C 44 66.420 66.420 67.131 -0.711 25830 3905 1 8 . 1 1 44 44 THR CB C 44 63.702 63.702 67.181 -3.479 25830 3906 1 8 . 1 1 44 44 THR H H 44 9.305 9.305 8.453 0.852 25830 3907 1 8 . 1 1 45 45 PRO HA H 45 4.345 4.345 4.653 -0.308 25830 3908 1 8 . 1 1 45 45 PRO C C 45 177.238 177.238 178.310 -1.072 25830 3909 1 8 . 1 1 45 45 PRO CA C 45 63.192 63.192 65.200 -2.008 25830 3910 1 8 . 1 1 45 45 PRO CB C 45 28.232 28.232 31.223 -2.991 25830 3911 1 8 . 1 1 46 46 ASP N N 46 117.412 117.412 120.305 -2.893 25830 3912 1 8 . 1 1 46 46 ASP HA H 46 4.571 4.571 4.447 0.124 25830 3913 1 8 . 1 1 46 46 ASP C C 46 175.358 175.358 177.569 -2.211 25830 3914 1 8 . 1 1 46 46 ASP CA C 46 54.436 54.436 56.820 -2.384 25830 3915 1 8 . 1 1 46 46 ASP CB C 46 37.884 37.884 40.385 -2.501 25830 3916 1 8 . 1 1 46 46 ASP H H 46 7.238 7.238 8.172 -0.934 25830 3917 1 8 . 1 1 47 47 ARG N N 47 122.342 122.342 118.844 3.498 25830 3918 1 8 . 1 1 47 47 ARG HA H 47 3.754 3.754 3.954 -0.200 25830 3919 1 8 . 1 1 47 47 ARG C C 47 176.688 176.688 178.223 -1.535 25830 3920 1 8 . 1 1 47 47 ARG CA C 47 57.351 57.351 59.014 -1.663 25830 3921 1 8 . 1 1 47 47 ARG CB C 47 26.606 26.606 29.538 -2.932 25830 3922 1 8 . 1 1 47 47 ARG H H 47 8.383 8.383 7.570 0.813 25830 3923 1 8 . 1 1 48 48 GLN N N 48 120.813 120.813 119.038 1.775 25830 3924 1 8 . 1 1 48 48 GLN HA H 48 3.650 3.650 4.040 -0.390 25830 3925 1 8 . 1 1 48 48 GLN C C 48 175.354 175.354 177.982 -2.628 25830 3926 1 8 . 1 1 48 48 GLN CA C 48 56.742 56.742 58.676 -1.934 25830 3927 1 8 . 1 1 48 48 GLN CB C 48 25.406 25.406 28.488 -3.083 25830 3928 1 8 . 1 1 48 48 GLN H H 48 8.176 8.176 7.828 0.348 25830 3929 1 8 . 1 1 49 49 ALA N N 49 122.476 122.476 120.996 1.480 25830 3930 1 8 . 1 1 49 49 ALA HA H 49 4.224 4.224 4.022 0.202 25830 3931 1 8 . 1 1 49 49 ALA C C 49 177.581 177.581 179.081 -1.500 25830 3932 1 8 . 1 1 49 49 ALA CA C 49 52.410 52.410 54.704 -2.294 25830 3933 1 8 . 1 1 49 49 ALA CB C 49 15.305 15.305 18.025 -2.720 25830 3934 1 8 . 1 1 49 49 ALA H H 49 8.079 8.079 7.702 0.377 25830 3935 1 8 . 1 1 50 50 ALA N N 50 121.104 121.104 120.308 0.796 25830 3936 1 8 . 1 1 50 50 ALA HA H 50 3.686 3.686 3.939 -0.253 25830 3937 1 8 . 1 1 50 50 ALA C C 50 175.478 175.478 178.431 -2.953 25830 3938 1 8 . 1 1 50 50 ALA CA C 50 53.344 53.344 55.343 -1.999 25830 3939 1 8 . 1 1 50 50 ALA CB C 50 14.032 14.032 18.137 -4.105 25830 3940 1 8 . 1 1 50 50 ALA H H 50 8.494 8.494 7.632 0.862 25830 3941 1 8 . 1 1 51 51 CYS N N 51 117.063 117.063 115.655 1.408 25830 3942 1 8 . 1 1 51 51 CYS HA H 51 4.091 4.091 4.263 -0.172 25830 3943 1 8 . 1 1 51 51 CYS C C 51 173.692 173.692 176.641 -2.949 25830 3944 1 8 . 1 1 51 51 CYS CA C 51 57.660 57.660 60.600 -2.940 25830 3945 1 8 . 1 1 51 51 CYS CB C 51 34.278 34.278 25.629 8.649 25830 3946 1 8 . 1 1 51 51 CYS H H 51 7.466 7.466 7.989 -0.523 25830 3947 1 8 . 1 1 52 52 ASN N N 52 120.867 120.867 117.986 2.881 25830 3948 1 8 . 1 1 52 52 ASN HA H 52 4.403 4.403 4.715 -0.312 25830 3949 1 8 . 1 1 52 52 ASN C C 52 176.290 176.290 177.201 -0.911 25830 3950 1 8 . 1 1 52 52 ASN CA C 52 54.177 54.177 55.813 -1.636 25830 3951 1 8 . 1 1 52 52 ASN CB C 52 36.302 36.302 38.257 -1.955 25830 3952 1 8 . 1 1 52 52 ASN H H 52 8.164 8.164 7.419 0.745 25830 3953 1 8 . 1 1 53 53 CYS N N 53 119.542 119.542 120.645 -1.103 25830 3954 1 8 . 1 1 53 53 CYS HA H 53 4.543 4.543 4.195 0.348 25830 3955 1 8 . 1 1 53 53 CYS C C 53 175.294 175.294 176.637 -1.343 25830 3956 1 8 . 1 1 53 53 CYS CA C 53 53.637 53.637 61.697 -8.060 25830 3957 1 8 . 1 1 53 53 CYS CB C 53 34.302 34.302 26.059 8.242 25830 3958 1 8 . 1 1 53 53 CYS H H 53 8.974 8.974 7.646 1.328 25830 3959 1 8 . 1 1 54 54 LEU N N 54 124.510 124.510 118.443 6.067 25830 3960 1 8 . 1 1 54 54 LEU HA H 54 3.964 3.964 3.948 0.016 25830 3961 1 8 . 1 1 54 54 LEU C C 54 175.082 175.082 179.082 -4.000 25830 3962 1 8 . 1 1 54 54 LEU CA C 54 55.725 55.725 57.685 -1.960 25830 3963 1 8 . 1 1 54 54 LEU CB C 54 39.035 39.035 41.567 -2.532 25830 3964 1 8 . 1 1 54 54 LEU H H 54 8.794 8.794 7.849 0.945 25830 3965 1 8 . 1 1 55 55 LYS N N 55 120.615 120.615 117.414 3.201 25830 3966 1 8 . 1 1 55 55 LYS HA H 55 3.929 3.929 4.009 -0.080 25830 3967 1 8 . 1 1 55 55 LYS C C 55 176.860 176.860 178.079 -1.219 25830 3968 1 8 . 1 1 55 55 LYS CA C 55 57.089 57.089 58.833 -1.744 25830 3969 1 8 . 1 1 55 55 LYS CB C 55 30.420 30.420 32.301 -1.881 25830 3970 1 8 . 1 1 55 55 LYS H H 55 8.119 8.119 7.491 0.628 25830 3971 1 8 . 1 1 56 56 SER N N 56 113.653 113.653 115.547 -1.894 25830 3972 1 8 . 1 1 56 56 SER HA H 56 4.202 4.202 4.299 -0.097 25830 3973 1 8 . 1 1 56 56 SER C C 56 175.009 175.009 176.598 -1.589 25830 3974 1 8 . 1 1 56 56 SER CA C 56 58.397 58.397 60.860 -2.463 25830 3975 1 8 . 1 1 56 56 SER CB C 56 60.063 60.063 63.170 -3.107 25830 3976 1 8 . 1 1 56 56 SER H H 56 7.746 7.746 7.559 0.187 25830 3977 1 8 . 1 1 57 57 ALA N N 57 125.184 125.184 123.472 1.712 25830 3978 1 8 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.123 -0.050 25830 3979 1 8 . 1 1 57 57 ALA C C 57 177.735 177.735 179.461 -1.726 25830 3980 1 8 . 1 1 57 57 ALA CA C 57 52.222 52.222 54.483 -2.261 25830 3981 1 8 . 1 1 57 57 ALA CB C 57 14.710 14.710 18.086 -3.376 25830 3982 1 8 . 1 1 57 57 ALA H H 57 8.370 8.370 7.852 0.518 25830 3983 1 8 . 1 1 58 58 ALA N N 58 119.288 119.288 121.719 -2.431 25830 3984 1 8 . 1 1 58 58 ALA HA H 58 3.873 3.873 4.086 -0.213 25830 3985 1 8 . 1 1 58 58 ALA C C 58 176.201 176.201 179.645 -3.444 25830 3986 1 8 . 1 1 58 58 ALA CA C 58 52.154 52.154 54.585 -2.431 25830 3987 1 8 . 1 1 58 58 ALA CB C 58 13.944 13.944 18.442 -4.498 25830 3988 1 8 . 1 1 58 58 ALA H H 58 8.355 8.355 7.751 0.604 25830 3989 1 8 . 1 1 59 59 GLY N N 59 101.896 101.896 103.633 -1.737 25830 3990 1 8 . 1 1 59 59 GLY C C 59 171.619 171.619 175.090 -3.471 25830 3991 1 8 . 1 1 59 59 GLY CA C 59 43.245 43.245 44.819 -1.574 25830 3992 1 8 . 1 1 59 59 GLY H H 59 7.613 7.613 7.716 -0.103 25830 3993 1 8 . 1 1 60 60 SER N N 60 114.297 114.297 115.417 -1.120 25830 3994 1 8 . 1 1 60 60 SER HA H 60 4.548 4.548 4.563 -0.015 25830 3995 1 8 . 1 1 60 60 SER C C 60 171.232 171.232 174.117 -2.885 25830 3996 1 8 . 1 1 60 60 SER CA C 60 55.817 55.817 57.543 -1.726 25830 3997 1 8 . 1 1 60 60 SER CB C 60 61.793 61.793 63.764 -1.971 25830 3998 1 8 . 1 1 60 60 SER H H 60 7.570 7.570 7.870 -0.300 25830 3999 1 8 . 1 1 61 61 ILE N N 61 125.096 125.096 125.395 -0.299 25830 4000 1 8 . 1 1 61 61 ILE HA H 61 4.272 4.272 4.447 -0.175 25830 4001 1 8 . 1 1 61 61 ILE C C 61 170.966 170.966 174.304 -3.338 25830 4002 1 8 . 1 1 61 61 ILE CA C 61 56.364 56.364 57.976 -1.612 25830 4003 1 8 . 1 1 61 61 ILE CB C 61 36.307 36.307 38.791 -2.484 25830 4004 1 8 . 1 1 61 61 ILE H H 61 7.222 7.222 7.372 -0.150 25830 4005 1 8 . 1 1 62 62 PRO HA H 62 4.317 4.317 4.495 -0.178 25830 4006 1 8 . 1 1 62 62 PRO C C 62 173.935 173.935 176.446 -2.511 25830 4007 1 8 . 1 1 62 62 PRO CA C 62 60.634 60.634 63.413 -2.779 25830 4008 1 8 . 1 1 62 62 PRO CB C 62 29.399 29.399 31.568 -2.169 25830 4009 1 8 . 1 1 63 63 LYS N N 63 115.837 115.837 117.700 -1.863 25830 4010 1 8 . 1 1 63 63 LYS HA H 63 3.916 3.916 3.827 0.089 25830 4011 1 8 . 1 1 63 63 LYS C C 63 172.800 172.800 176.390 -3.590 25830 4012 1 8 . 1 1 63 63 LYS CA C 63 53.303 53.303 56.639 -3.336 25830 4013 1 8 . 1 1 63 63 LYS CB C 63 26.973 26.973 30.030 -3.057 25830 4014 1 8 . 1 1 63 63 LYS H H 63 8.584 8.584 8.502 0.082 25830 4015 1 8 . 1 1 64 64 LEU N N 64 118.672 118.672 119.794 -1.122 25830 4016 1 8 . 1 1 64 64 LEU HA H 64 3.625 3.625 4.038 -0.413 25830 4017 1 8 . 1 1 64 64 LEU C C 64 173.690 173.690 175.840 -2.150 25830 4018 1 8 . 1 1 64 64 LEU CA C 64 53.929 53.929 56.207 -2.278 25830 4019 1 8 . 1 1 64 64 LEU CB C 64 39.878 39.878 42.333 -2.455 25830 4020 1 8 . 1 1 64 64 LEU H H 64 7.116 7.116 7.507 -0.391 25830 4021 1 8 . 1 1 65 65 ASN N N 65 125.562 125.562 123.676 1.886 25830 4022 1 8 . 1 1 65 65 ASN HA H 65 4.879 4.879 5.007 -0.128 25830 4023 1 8 . 1 1 65 65 ASN C C 65 174.338 174.338 175.603 -1.265 25830 4024 1 8 . 1 1 65 65 ASN CA C 65 48.862 48.862 51.583 -2.721 25830 4025 1 8 . 1 1 65 65 ASN CB C 65 34.238 34.238 39.171 -4.933 25830 4026 1 8 . 1 1 65 65 ASN H H 65 9.348 9.348 8.298 1.050 25830 4027 1 8 . 1 1 66 66 THR N N 66 118.448 118.448 117.810 0.638 25830 4028 1 8 . 1 1 66 66 THR HA H 66 3.840 3.840 3.871 -0.031 25830 4029 1 8 . 1 1 66 66 THR C C 66 174.820 174.820 175.829 -1.009 25830 4030 1 8 . 1 1 66 66 THR CA C 66 62.576 62.576 65.999 -3.423 25830 4031 1 8 . 1 1 66 66 THR CB C 66 65.348 65.348 68.744 -3.396 25830 4032 1 8 . 1 1 66 66 THR H H 66 8.735 8.735 8.595 0.140 25830 4033 1 8 . 1 1 67 67 ASN N N 67 121.545 121.545 118.701 2.844 25830 4034 1 8 . 1 1 67 67 ASN HA H 67 4.460 4.460 4.450 0.010 25830 4035 1 8 . 1 1 67 67 ASN C C 67 174.825 174.825 177.904 -3.079 25830 4036 1 8 . 1 1 67 67 ASN CA C 67 53.781 53.781 55.908 -2.127 25830 4037 1 8 . 1 1 67 67 ASN CB C 67 35.495 35.495 38.564 -3.069 25830 4038 1 8 . 1 1 67 67 ASN H H 67 8.229 8.229 8.279 -0.050 25830 4039 1 8 . 1 1 68 68 ASN N N 68 122.399 122.399 118.761 3.638 25830 4040 1 8 . 1 1 68 68 ASN HA H 68 4.463 4.463 4.431 0.032 25830 4041 1 8 . 1 1 68 68 ASN C C 68 175.357 175.357 176.428 -1.071 25830 4042 1 8 . 1 1 68 68 ASN CA C 68 52.009 52.009 55.794 -3.785 25830 4043 1 8 . 1 1 68 68 ASN CB C 68 32.853 32.853 37.962 -5.109 25830 4044 1 8 . 1 1 68 68 ASN H H 68 7.153 7.153 8.086 -0.933 25830 4045 1 8 . 1 1 69 69 ALA N N 69 123.588 123.588 120.088 3.500 25830 4046 1 8 . 1 1 69 69 ALA HA H 69 3.930 3.930 4.055 -0.125 25830 4047 1 8 . 1 1 69 69 ALA C C 69 175.919 175.919 178.130 -2.211 25830 4048 1 8 . 1 1 69 69 ALA CA C 69 53.087 53.087 54.014 -0.927 25830 4049 1 8 . 1 1 69 69 ALA CB C 69 14.867 14.867 18.474 -3.607 25830 4050 1 8 . 1 1 69 69 ALA H H 69 7.942 7.942 7.351 0.591 25830 4051 1 8 . 1 1 70 70 ALA N N 70 117.736 117.736 119.681 -1.945 25830 4052 1 8 . 1 1 70 70 ALA HA H 70 4.250 4.250 4.161 0.089 25830 4053 1 8 . 1 1 70 70 ALA C C 70 176.704 176.704 178.609 -1.905 25830 4054 1 8 . 1 1 70 70 ALA CA C 70 51.706 51.706 54.305 -2.599 25830 4055 1 8 . 1 1 70 70 ALA CB C 70 15.507 15.507 19.276 -3.769 25830 4056 1 8 . 1 1 70 70 ALA H H 70 7.574 7.574 7.366 0.208 25830 4057 1 8 . 1 1 71 71 ALA N N 71 117.858 117.858 120.681 -2.823 25830 4058 1 8 . 1 1 71 71 ALA HA H 71 4.321 4.321 4.415 -0.094 25830 4059 1 8 . 1 1 71 71 ALA C C 71 175.190 175.190 179.191 -4.001 25830 4060 1 8 . 1 1 71 71 ALA CA C 71 50.142 50.142 53.645 -3.503 25830 4061 1 8 . 1 1 71 71 ALA CB C 71 16.908 16.908 18.391 -1.483 25830 4062 1 8 . 1 1 71 71 ALA H H 71 7.676 7.676 7.453 0.223 25830 4063 1 8 . 1 1 72 72 LEU N N 72 117.566 117.566 122.405 -4.839 25830 4064 1 8 . 1 1 72 72 LEU HA H 72 4.097 4.097 4.141 -0.043 25830 4065 1 8 . 1 1 72 72 LEU C C 72 170.406 170.406 175.332 -4.926 25830 4066 1 8 . 1 1 72 72 LEU CA C 72 57.688 57.688 59.603 -1.915 25830 4067 1 8 . 1 1 72 72 LEU CB C 72 36.632 36.632 39.686 -3.054 25830 4068 1 8 . 1 1 72 72 LEU H H 72 7.494 7.494 7.790 -0.296 25830 4069 1 8 . 1 1 73 73 PRO HA H 73 3.793 3.793 4.293 -0.500 25830 4070 1 8 . 1 1 73 73 PRO C C 73 176.416 176.416 179.251 -2.835 25830 4071 1 8 . 1 1 73 73 PRO CA C 73 64.431 64.431 65.824 -1.393 25830 4072 1 8 . 1 1 73 73 PRO CB C 73 27.928 27.928 30.760 -2.832 25830 4073 1 8 . 1 1 74 74 GLY N N 74 106.170 106.170 107.395 -1.225 25830 4074 1 8 . 1 1 74 74 GLY C C 74 176.081 176.081 176.406 -0.325 25830 4075 1 8 . 1 1 74 74 GLY CA C 74 44.577 44.577 47.190 -2.612 25830 4076 1 8 . 1 1 74 74 GLY H H 74 8.374 8.374 7.902 0.472 25830 4077 1 8 . 1 1 75 75 LYS N N 75 121.379 121.379 119.173 2.206 25830 4078 1 8 . 1 1 75 75 LYS HA H 75 4.162 4.162 4.191 -0.029 25830 4079 1 8 . 1 1 75 75 LYS C C 75 175.735 175.735 178.036 -2.301 25830 4080 1 8 . 1 1 75 75 LYS CA C 75 56.053 56.053 57.484 -1.431 25830 4081 1 8 . 1 1 75 75 LYS CB C 75 30.087 30.087 31.907 -1.820 25830 4082 1 8 . 1 1 75 75 LYS H H 75 8.417 8.417 8.171 0.246 25830 4083 1 8 . 1 1 76 76 CYS N N 76 115.021 115.021 116.161 -1.140 25830 4084 1 8 . 1 1 76 76 CYS HA H 76 4.895 4.895 4.410 0.485 25830 4085 1 8 . 1 1 76 76 CYS C C 76 172.300 172.300 175.393 -3.093 25830 4086 1 8 . 1 1 76 76 CYS CA C 76 49.730 49.730 59.576 -9.846 25830 4087 1 8 . 1 1 76 76 CYS CB C 76 32.817 32.817 27.235 5.582 25830 4088 1 8 . 1 1 76 76 CYS H H 76 7.756 7.756 7.710 0.046 25830 4089 1 8 . 1 1 77 77 GLY N N 77 109.352 109.352 106.957 2.395 25830 4090 1 8 . 1 1 77 77 GLY C C 77 171.753 171.753 173.986 -2.233 25830 4091 1 8 . 1 1 77 77 GLY CA C 77 43.794 43.794 44.993 -1.199 25830 4092 1 8 . 1 1 77 77 GLY H H 77 7.894 7.894 7.877 0.017 25830 4093 1 8 . 1 1 78 78 VAL N N 78 115.528 115.528 117.559 -2.031 25830 4094 1 8 . 1 1 78 78 VAL HA H 78 4.491 4.491 4.405 0.086 25830 4095 1 8 . 1 1 78 78 VAL C C 78 171.256 171.256 174.768 -3.512 25830 4096 1 8 . 1 1 78 78 VAL CA C 78 56.800 56.800 61.348 -4.548 25830 4097 1 8 . 1 1 78 78 VAL CB C 78 31.741 31.741 32.579 -0.838 25830 4098 1 8 . 1 1 78 78 VAL H H 78 8.137 8.137 7.473 0.664 25830 4099 1 8 . 1 1 79 79 SER N N 79 116.418 116.418 120.990 -4.572 25830 4100 1 8 . 1 1 79 79 SER HA H 79 4.583 4.583 4.660 -0.077 25830 4101 1 8 . 1 1 79 79 SER C C 79 170.681 170.681 174.122 -3.441 25830 4102 1 8 . 1 1 79 79 SER CA C 79 54.258 54.258 57.361 -3.103 25830 4103 1 8 . 1 1 79 79 SER CB C 79 61.468 61.468 64.050 -2.583 25830 4104 1 8 . 1 1 79 79 SER H H 79 8.124 8.124 8.301 -0.177 25830 4105 1 8 . 1 1 80 80 ILE N N 80 120.257 120.257 123.821 -3.564 25830 4106 1 8 . 1 1 80 80 ILE HA H 80 4.639 4.639 4.645 -0.006 25830 4107 1 8 . 1 1 80 80 ILE C C 80 172.830 172.830 174.712 -1.882 25830 4108 1 8 . 1 1 80 80 ILE CA C 80 55.333 55.333 57.520 -2.187 25830 4109 1 8 . 1 1 80 80 ILE CB C 80 38.093 38.093 37.201 0.892 25830 4110 1 8 . 1 1 80 80 ILE H H 80 8.089 8.089 8.389 -0.300 25830 4111 1 8 . 1 1 81 81 PRO HA H 81 4.547 4.547 4.507 0.040 25830 4112 1 8 . 1 1 81 81 PRO C C 81 171.325 171.325 175.998 -4.673 25830 4113 1 8 . 1 1 81 81 PRO CA C 81 60.903 60.903 64.149 -3.246 25830 4114 1 8 . 1 1 81 81 PRO CB C 81 27.693 27.693 32.083 -4.390 25830 4115 1 8 . 1 1 82 82 TYR N N 82 115.259 115.259 116.978 -1.719 25830 4116 1 8 . 1 1 82 82 TYR HA H 82 4.732 4.732 4.732 -0.000 25830 4117 1 8 . 1 1 82 82 TYR C C 82 170.187 170.187 173.949 -3.762 25830 4118 1 8 . 1 1 82 82 TYR CA C 82 51.930 51.930 53.997 -2.067 25830 4119 1 8 . 1 1 82 82 TYR CB C 82 37.275 37.275 40.002 -2.727 25830 4120 1 8 . 1 1 82 82 TYR H H 82 6.642 6.642 7.552 -0.910 25830 4121 1 8 . 1 1 83 83 LYS N N 83 116.992 116.992 120.340 -3.348 25830 4122 1 8 . 1 1 83 83 LYS HA H 83 4.464 4.464 4.277 0.187 25830 4123 1 8 . 1 1 83 83 LYS C C 83 174.342 174.342 175.238 -0.896 25830 4124 1 8 . 1 1 83 83 LYS CA C 83 51.653 51.653 55.097 -3.444 25830 4125 1 8 . 1 1 83 83 LYS CB C 83 31.513 31.513 34.312 -2.799 25830 4126 1 8 . 1 1 83 83 LYS H H 83 8.301 8.301 8.380 -0.079 25830 4127 1 8 . 1 1 84 84 ILE N N 84 126.906 126.906 125.410 1.496 25830 4128 1 8 . 1 1 84 84 ILE HA H 84 3.913 3.913 4.135 -0.222 25830 4129 1 8 . 1 1 84 84 ILE C C 84 170.945 170.945 174.830 -3.885 25830 4130 1 8 . 1 1 84 84 ILE CA C 84 59.761 59.761 61.342 -1.581 25830 4131 1 8 . 1 1 84 84 ILE CB C 84 33.534 33.534 36.483 -2.950 25830 4132 1 8 . 1 1 84 84 ILE H H 84 9.304 9.304 8.465 0.839 25830 4133 1 8 . 1 1 85 85 SER N N 85 120.246 120.246 120.238 0.008 25830 4134 1 8 . 1 1 85 85 SER HA H 85 4.563 4.563 4.859 -0.296 25830 4135 1 8 . 1 1 85 85 SER C C 85 171.695 171.695 175.382 -3.687 25830 4136 1 8 . 1 1 85 85 SER CA C 85 53.394 53.394 56.374 -2.980 25830 4137 1 8 . 1 1 85 85 SER CB C 85 61.638 61.638 65.042 -3.404 25830 4138 1 8 . 1 1 85 85 SER H H 85 7.256 7.256 7.779 -0.523 25830 4139 1 8 . 1 1 86 86 THR N N 86 115.458 115.458 115.193 0.265 25830 4140 1 8 . 1 1 86 86 THR HA H 86 4.147 4.147 4.250 -0.103 25830 4141 1 8 . 1 1 86 86 THR C C 86 172.663 172.663 175.557 -2.894 25830 4142 1 8 . 1 1 86 86 THR CA C 86 61.527 61.527 63.981 -2.454 25830 4143 1 8 . 1 1 86 86 THR CB C 86 65.858 65.858 68.717 -2.859 25830 4144 1 8 . 1 1 86 86 THR H H 86 8.819 8.819 8.598 0.221 25830 4145 1 8 . 1 1 87 87 SER N N 87 114.029 114.029 116.072 -2.043 25830 4146 1 8 . 1 1 87 87 SER HA H 87 4.524 4.524 4.568 -0.044 25830 4147 1 8 . 1 1 87 87 SER C C 87 172.010 172.010 174.840 -2.830 25830 4148 1 8 . 1 1 87 87 SER CA C 87 55.408 55.408 59.501 -4.093 25830 4149 1 8 . 1 1 87 87 SER CB C 87 61.144 61.144 63.849 -2.705 25830 4150 1 8 . 1 1 87 87 SER H H 87 8.239 8.239 8.019 0.220 25830 4151 1 8 . 1 1 88 88 THR N N 88 120.831 120.831 119.666 1.165 25830 4152 1 8 . 1 1 88 88 THR HA H 88 3.808 3.808 4.296 -0.488 25830 4153 1 8 . 1 1 88 88 THR C C 88 181.273 181.273 173.966 7.307 25830 4154 1 8 . 1 1 88 88 THR CA C 88 61.409 61.409 63.460 -2.051 25830 4155 1 8 . 1 1 88 88 THR CB C 88 67.556 67.556 69.556 -2.000 25830 4156 1 8 . 1 1 88 88 THR H H 88 7.142 7.142 7.247 -0.105 25830 4157 1 8 . 1 1 89 89 ASN N N 89 124.818 124.818 124.783 0.035 25830 4158 1 8 . 1 1 89 89 ASN HA H 89 4.819 4.819 4.777 0.042 25830 4159 1 8 . 1 1 89 89 ASN C C 89 173.325 173.325 175.145 -1.820 25830 4160 1 8 . 1 1 89 89 ASN CA C 89 48.483 48.483 52.147 -3.664 25830 4161 1 8 . 1 1 89 89 ASN CB C 89 34.958 34.958 37.639 -2.681 25830 4162 1 8 . 1 1 89 89 ASN H H 89 8.754 8.754 8.641 0.113 25830 4163 1 8 . 1 1 90 90 CYS N N 90 123.361 123.361 123.114 0.247 25830 4164 1 8 . 1 1 90 90 CYS HA H 90 4.174 4.174 3.816 0.358 25830 4165 1 8 . 1 1 90 90 CYS C C 90 172.573 172.573 176.219 -3.646 25830 4166 1 8 . 1 1 90 90 CYS CA C 90 54.158 54.158 60.724 -6.566 25830 4167 1 8 . 1 1 90 90 CYS CB C 90 36.687 36.687 26.320 10.367 25830 4168 1 8 . 1 1 90 90 CYS H H 90 8.790 8.790 8.498 0.292 25830 4169 1 8 . 1 1 91 91 ASN N N 91 115.199 115.199 117.270 -2.071 25830 4170 1 8 . 1 1 91 91 ASN HA H 91 4.578 4.578 4.609 -0.031 25830 4171 1 8 . 1 1 91 91 ASN C C 91 173.584 173.584 176.253 -2.669 25830 4172 1 8 . 1 1 91 91 ASN CA C 91 52.264 52.264 55.205 -2.941 25830 4173 1 8 . 1 1 91 91 ASN CB C 91 35.690 35.690 38.698 -3.008 25830 4174 1 8 . 1 1 91 91 ASN H H 91 8.320 8.320 8.007 0.313 25830 4175 1 8 . 1 1 92 92 THR N N 92 107.497 107.497 109.768 -2.271 25830 4176 1 8 . 1 1 92 92 THR HA H 92 4.388 4.388 4.321 0.067 25830 4177 1 8 . 1 1 92 92 THR C C 92 171.702 171.702 175.168 -3.466 25830 4178 1 8 . 1 1 92 92 THR CA C 92 58.280 58.280 61.664 -3.384 25830 4179 1 8 . 1 1 92 92 THR CB C 92 66.107 66.107 69.261 -3.154 25830 4180 1 8 . 1 1 92 92 THR H H 92 7.338 7.338 7.679 -0.341 25830 4181 1 8 . 1 1 93 93 VAL N N 93 123.151 123.151 122.208 0.943 25830 4182 1 8 . 1 1 93 93 VAL HA H 93 3.667 3.667 4.003 -0.336 25830 4183 1 8 . 1 1 93 93 VAL C C 93 172.207 172.207 176.014 -3.807 25830 4184 1 8 . 1 1 93 93 VAL CA C 93 59.846 59.846 61.515 -1.669 25830 4185 1 8 . 1 1 93 93 VAL CB C 93 29.999 29.999 32.514 -2.515 25830 4186 1 8 . 1 1 93 93 VAL H H 93 6.806 6.806 7.328 -0.522 25830 4187 1 8 . 1 1 94 94 ARG N N 94 127.129 127.129 124.972 2.157 25830 4188 1 8 . 1 1 94 94 ARG HA H 94 4.339 4.339 3.987 0.352 25830 4189 1 8 . 1 1 94 94 ARG C C 94 171.859 171.859 176.177 -4.318 25830 4190 1 8 . 1 1 94 94 ARG CA C 94 52.395 52.395 56.165 -3.770 25830 4191 1 8 . 1 1 94 94 ARG CB C 94 26.973 26.973 30.898 -3.925 25830 4192 1 8 . 1 1 94 94 ARG H H 94 8.201 8.201 8.246 -0.045 25830 4193 1 9 . 1 1 2 2 LEU N N 2 123.438 123.438 121.857 1.581 25830 4194 1 9 . 1 1 2 2 LEU HA H 2 4.344 4.344 4.613 -0.269 25830 4195 1 9 . 1 1 2 2 LEU C C 2 172.388 172.388 175.884 -3.496 25830 4196 1 9 . 1 1 2 2 LEU CA C 2 52.560 52.560 55.133 -2.573 25830 4197 1 9 . 1 1 2 2 LEU CB C 2 40.603 40.603 42.155 -1.552 25830 4198 1 9 . 1 1 2 2 LEU H H 2 8.368 8.368 8.156 0.212 25830 4199 1 9 . 1 1 3 3 SER N N 3 119.868 119.868 118.785 1.083 25830 4200 1 9 . 1 1 3 3 SER HA H 3 4.748 4.748 4.641 0.107 25830 4201 1 9 . 1 1 3 3 SER C C 3 173.163 173.163 175.763 -2.600 25830 4202 1 9 . 1 1 3 3 SER CA C 3 53.523 53.523 56.928 -3.405 25830 4203 1 9 . 1 1 3 3 SER CB C 3 62.412 62.412 65.446 -3.034 25830 4204 1 9 . 1 1 3 3 SER H H 3 8.550 8.550 8.293 0.257 25830 4205 1 9 . 1 1 4 4 CYS N N 4 120.408 120.408 126.086 -5.678 25830 4206 1 9 . 1 1 4 4 CYS HA H 4 4.586 4.586 4.314 0.272 25830 4207 1 9 . 1 1 4 4 CYS C C 4 175.067 175.067 177.044 -1.977 25830 4208 1 9 . 1 1 4 4 CYS CA C 4 52.166 52.166 60.640 -8.474 25830 4209 1 9 . 1 1 4 4 CYS CB C 4 30.372 30.372 26.738 3.634 25830 4210 1 9 . 1 1 4 4 CYS H H 4 9.222 9.222 9.055 0.167 25830 4211 1 9 . 1 1 5 5 GLY N N 5 110.663 110.663 107.162 3.501 25830 4212 1 9 . 1 1 5 5 GLY C C 5 174.023 174.023 175.353 -1.330 25830 4213 1 9 . 1 1 5 5 GLY CA C 5 44.577 44.577 47.389 -2.812 25830 4214 1 9 . 1 1 5 5 GLY H H 5 8.721 8.721 8.003 0.718 25830 4215 1 9 . 1 1 6 6 THR N N 6 118.884 118.884 116.255 2.629 25830 4216 1 9 . 1 1 6 6 THR HA H 6 4.031 4.031 4.483 -0.452 25830 4217 1 9 . 1 1 6 6 THR C C 6 172.782 172.782 175.994 -3.212 25830 4218 1 9 . 1 1 6 6 THR CA C 6 62.801 62.801 64.464 -1.663 25830 4219 1 9 . 1 1 6 6 THR CB C 6 65.896 65.896 69.466 -3.570 25830 4220 1 9 . 1 1 6 6 THR H H 6 7.676 7.676 7.817 -0.141 25830 4221 1 9 . 1 1 7 7 VAL N N 7 120.789 120.789 122.916 -2.127 25830 4222 1 9 . 1 1 7 7 VAL HA H 7 3.607 3.607 4.038 -0.431 25830 4223 1 9 . 1 1 7 7 VAL C C 7 174.356 174.356 177.835 -3.479 25830 4224 1 9 . 1 1 7 7 VAL CA C 7 63.774 63.774 65.024 -1.250 25830 4225 1 9 . 1 1 7 7 VAL CB C 7 28.610 28.610 30.854 -2.244 25830 4226 1 9 . 1 1 7 7 VAL H H 7 7.280 7.280 7.325 -0.045 25830 4227 1 9 . 1 1 8 8 SER N N 8 114.047 114.047 115.019 -0.972 25830 4228 1 9 . 1 1 8 8 SER HA H 8 3.858 3.858 4.089 -0.231 25830 4229 1 9 . 1 1 8 8 SER C C 8 173.948 173.948 175.947 -1.999 25830 4230 1 9 . 1 1 8 8 SER CA C 8 59.791 59.791 61.592 -1.801 25830 4231 1 9 . 1 1 8 8 SER CB C 8 59.242 59.242 62.736 -3.494 25830 4232 1 9 . 1 1 8 8 SER H H 8 8.501 8.501 7.914 0.587 25830 4233 1 9 . 1 1 9 9 ALA N N 9 123.669 123.669 123.536 0.133 25830 4234 1 9 . 1 1 9 9 ALA HA H 9 4.165 4.165 4.097 0.068 25830 4235 1 9 . 1 1 9 9 ALA C C 9 177.740 177.740 178.576 -0.836 25830 4236 1 9 . 1 1 9 9 ALA CA C 9 52.218 52.218 54.957 -2.739 25830 4237 1 9 . 1 1 9 9 ALA CB C 9 15.348 15.348 18.298 -2.950 25830 4238 1 9 . 1 1 9 9 ALA H H 9 7.685 7.685 7.695 -0.010 25830 4239 1 9 . 1 1 10 10 ASP N N 10 118.653 118.653 116.087 2.566 25830 4240 1 9 . 1 1 10 10 ASP HA H 10 4.414 4.414 4.433 -0.019 25830 4241 1 9 . 1 1 10 10 ASP C C 10 173.327 173.327 177.604 -4.277 25830 4242 1 9 . 1 1 10 10 ASP CA C 10 53.357 53.357 55.998 -2.641 25830 4243 1 9 . 1 1 10 10 ASP CB C 10 35.579 35.579 40.718 -5.139 25830 4244 1 9 . 1 1 10 10 ASP H H 10 8.161 8.161 7.816 0.345 25830 4245 1 9 . 1 1 11 11 LEU N N 11 115.104 115.104 119.681 -4.577 25830 4246 1 9 . 1 1 11 11 LEU HA H 11 4.183 4.183 4.289 -0.106 25830 4247 1 9 . 1 1 11 11 LEU C C 11 175.206 175.206 177.631 -2.425 25830 4248 1 9 . 1 1 11 11 LEU CA C 11 51.360 51.360 56.455 -5.095 25830 4249 1 9 . 1 1 11 11 LEU CB C 11 40.185 40.185 42.045 -1.860 25830 4250 1 9 . 1 1 11 11 LEU H H 11 7.731 7.731 7.421 0.310 25830 4251 1 9 . 1 1 12 12 ALA N N 12 124.133 124.133 123.411 0.722 25830 4252 1 9 . 1 1 12 12 ALA HA H 12 4.309 4.309 4.106 0.203 25830 4253 1 9 . 1 1 12 12 ALA C C 12 174.540 174.540 177.484 -2.944 25830 4254 1 9 . 1 1 12 12 ALA CA C 12 54.075 54.075 56.793 -2.718 25830 4255 1 9 . 1 1 12 12 ALA CB C 12 13.256 13.256 16.136 -2.880 25830 4256 1 9 . 1 1 12 12 ALA H H 12 7.481 7.481 8.366 -0.885 25830 4257 1 9 . 1 1 13 13 PRO HA H 13 4.674 4.674 4.478 0.196 25830 4258 1 9 . 1 1 13 13 PRO C C 13 174.824 174.824 176.693 -1.869 25830 4259 1 9 . 1 1 13 13 PRO CA C 13 61.982 61.982 64.521 -2.539 25830 4260 1 9 . 1 1 13 13 PRO CB C 13 28.804 28.804 31.241 -2.437 25830 4261 1 9 . 1 1 14 14 CYS N N 14 114.225 114.225 117.184 -2.959 25830 4262 1 9 . 1 1 14 14 CYS HA H 14 4.722 4.722 4.650 0.072 25830 4263 1 9 . 1 1 14 14 CYS C C 14 172.376 172.376 176.800 -4.424 25830 4264 1 9 . 1 1 14 14 CYS CA C 14 51.481 51.481 60.316 -8.835 25830 4265 1 9 . 1 1 14 14 CYS CB C 14 39.508 39.508 27.736 11.772 25830 4266 1 9 . 1 1 14 14 CYS H H 14 8.938 8.938 7.611 1.327 25830 4267 1 9 . 1 1 15 15 VAL N N 15 122.488 122.488 122.584 -0.096 25830 4268 1 9 . 1 1 15 15 VAL HA H 15 3.350 3.350 3.587 -0.237 25830 4269 1 9 . 1 1 15 15 VAL C C 15 173.644 173.644 177.947 -4.303 25830 4270 1 9 . 1 1 15 15 VAL CA C 15 66.608 66.608 67.047 -0.439 25830 4271 1 9 . 1 1 15 15 VAL CB C 15 28.692 28.692 30.872 -2.180 25830 4272 1 9 . 1 1 15 15 VAL H H 15 7.767 7.767 8.351 -0.584 25830 4273 1 9 . 1 1 16 16 THR N N 16 112.169 112.169 114.344 -2.175 25830 4274 1 9 . 1 1 16 16 THR HA H 16 4.012 4.012 3.947 0.065 25830 4275 1 9 . 1 1 16 16 THR C C 16 175.021 175.021 176.017 -0.996 25830 4276 1 9 . 1 1 16 16 THR CA C 16 63.879 63.879 66.228 -2.349 25830 4277 1 9 . 1 1 16 16 THR CB C 16 65.364 65.364 68.783 -3.419 25830 4278 1 9 . 1 1 16 16 THR H H 16 8.258 8.258 8.107 0.151 25830 4279 1 9 . 1 1 17 17 TYR N N 17 124.563 124.563 121.523 3.040 25830 4280 1 9 . 1 1 17 17 TYR HA H 17 4.265 4.265 4.343 -0.078 25830 4281 1 9 . 1 1 17 17 TYR C C 17 174.326 174.326 177.772 -3.446 25830 4282 1 9 . 1 1 17 17 TYR CA C 17 58.001 58.001 60.166 -2.165 25830 4283 1 9 . 1 1 17 17 TYR CB C 17 35.252 35.252 38.141 -2.889 25830 4284 1 9 . 1 1 17 17 TYR H H 17 8.280 8.280 8.146 0.134 25830 4285 1 9 . 1 1 18 18 LEU N N 18 119.213 119.213 118.703 0.510 25830 4286 1 9 . 1 1 18 18 LEU HA H 18 3.630 3.630 3.689 -0.059 25830 4287 1 9 . 1 1 18 18 LEU C C 18 172.858 172.858 178.075 -5.217 25830 4288 1 9 . 1 1 18 18 LEU CA C 18 54.171 54.171 57.118 -2.947 25830 4289 1 9 . 1 1 18 18 LEU CB C 18 38.310 38.310 41.815 -3.505 25830 4290 1 9 . 1 1 18 18 LEU H H 18 8.394 8.394 7.888 0.506 25830 4291 1 9 . 1 1 19 19 GLN N N 19 114.782 114.782 114.321 0.461 25830 4292 1 9 . 1 1 19 19 GLN HA H 19 4.582 4.582 4.587 -0.005 25830 4293 1 9 . 1 1 19 19 GLN C C 19 172.754 172.754 175.550 -2.796 25830 4294 1 9 . 1 1 19 19 GLN CA C 19 52.320 52.320 55.100 -2.780 25830 4295 1 9 . 1 1 19 19 GLN CB C 19 27.954 27.954 29.517 -1.563 25830 4296 1 9 . 1 1 19 19 GLN H H 19 7.319 7.319 7.583 -0.264 25830 4297 1 9 . 1 1 20 20 ALA N N 20 126.473 126.473 124.251 2.222 25830 4298 1 9 . 1 1 20 20 ALA HA H 20 4.494 4.494 4.612 -0.118 25830 4299 1 9 . 1 1 20 20 ALA C C 20 171.072 171.072 175.598 -4.526 25830 4300 1 9 . 1 1 20 20 ALA CA C 20 48.862 48.862 50.265 -1.403 25830 4301 1 9 . 1 1 20 20 ALA CB C 20 15.610 15.610 18.602 -2.992 25830 4302 1 9 . 1 1 20 20 ALA H H 20 7.292 7.292 7.174 0.118 25830 4303 1 9 . 1 1 21 21 PRO HA H 21 4.440 4.440 4.480 -0.040 25830 4304 1 9 . 1 1 21 21 PRO C C 21 174.052 174.052 177.118 -3.066 25830 4305 1 9 . 1 1 21 21 PRO CA C 21 59.522 59.522 62.253 -2.731 25830 4306 1 9 . 1 1 21 21 PRO CB C 21 29.853 29.853 32.606 -2.753 25830 4307 1 9 . 1 1 22 22 ASN N N 22 117.448 117.448 117.597 -0.149 25830 4308 1 9 . 1 1 22 22 ASN HA H 22 4.754 4.754 4.594 0.160 25830 4309 1 9 . 1 1 22 22 ASN C C 22 173.299 173.299 175.725 -2.426 25830 4310 1 9 . 1 1 22 22 ASN CA C 22 51.478 51.478 55.518 -4.040 25830 4311 1 9 . 1 1 22 22 ASN CB C 22 35.291 35.291 38.341 -3.050 25830 4312 1 9 . 1 1 22 22 ASN H H 22 8.466 8.466 8.683 -0.217 25830 4313 1 9 . 1 1 23 23 ASN N N 23 113.171 113.171 115.975 -2.804 25830 4314 1 9 . 1 1 23 23 ASN HA H 23 4.555 4.555 4.607 -0.052 25830 4315 1 9 . 1 1 23 23 ASN C C 23 172.210 172.210 175.262 -3.052 25830 4316 1 9 . 1 1 23 23 ASN CA C 23 50.626 50.626 54.254 -3.628 25830 4317 1 9 . 1 1 23 23 ASN CB C 23 34.278 34.278 38.424 -4.146 25830 4318 1 9 . 1 1 23 23 ASN H H 23 8.187 8.187 8.181 0.006 25830 4319 1 9 . 1 1 24 24 ALA N N 24 122.578 122.578 121.729 0.849 25830 4320 1 9 . 1 1 24 24 ALA HA H 24 4.394 4.394 4.492 -0.098 25830 4321 1 9 . 1 1 24 24 ALA C C 24 173.708 173.708 176.310 -2.602 25830 4322 1 9 . 1 1 24 24 ALA CA C 24 49.696 49.696 52.106 -2.410 25830 4323 1 9 . 1 1 24 24 ALA CB C 24 18.288 18.288 20.163 -1.875 25830 4324 1 9 . 1 1 24 24 ALA H H 24 7.381 7.381 7.569 -0.188 25830 4325 1 9 . 1 1 25 25 SER N N 25 115.237 115.237 114.842 0.395 25830 4326 1 9 . 1 1 25 25 SER HA H 25 4.922 4.922 4.405 0.517 25830 4327 1 9 . 1 1 25 25 SER C C 25 181.107 181.107 171.831 9.276 25830 4328 1 9 . 1 1 25 25 SER CA C 25 53.033 53.033 55.419 -2.386 25830 4329 1 9 . 1 1 25 25 SER CB C 25 61.549 61.549 64.932 -3.383 25830 4330 1 9 . 1 1 25 25 SER H H 25 8.649 8.649 8.135 0.514 25830 4331 1 9 . 1 1 26 26 PRO HA H 26 4.014 4.014 4.130 -0.116 25830 4332 1 9 . 1 1 26 26 PRO CA C 26 57.292 57.292 61.800 -4.508 25830 4333 1 9 . 1 1 26 26 PRO CB C 26 27.450 27.450 30.902 -3.452 25830 4334 1 9 . 1 1 27 27 PRO HA H 27 4.881 4.881 4.584 0.297 25830 4335 1 9 . 1 1 27 27 PRO CA C 27 58.500 58.500 61.072 -2.572 25830 4336 1 9 . 1 1 27 27 PRO CB C 27 28.489 28.489 31.092 -2.603 25830 4337 1 9 . 1 1 28 28 PRO HA H 28 4.421 4.421 4.200 0.221 25830 4338 1 9 . 1 1 28 28 PRO CA C 28 64.505 64.505 67.033 -2.528 25830 4339 1 9 . 1 1 28 28 PRO CB C 28 26.217 26.217 29.292 -3.075 25830 4340 1 9 . 1 1 29 29 PRO HA H 29 4.477 4.477 4.296 0.181 25830 4341 1 9 . 1 1 29 29 PRO C C 29 177.330 177.330 178.922 -1.592 25830 4342 1 9 . 1 1 29 29 PRO CA C 29 62.883 62.883 65.621 -2.738 25830 4343 1 9 . 1 1 29 29 PRO CB C 29 28.301 28.301 30.997 -2.696 25830 4344 1 9 . 1 1 30 30 CYS N N 30 114.694 114.694 117.975 -3.281 25830 4345 1 9 . 1 1 30 30 CYS HA H 30 4.456 4.456 4.306 0.150 25830 4346 1 9 . 1 1 30 30 CYS C C 30 172.260 172.260 177.116 -4.856 25830 4347 1 9 . 1 1 30 30 CYS CA C 30 55.585 55.585 61.242 -5.657 25830 4348 1 9 . 1 1 30 30 CYS CB C 30 34.602 34.602 25.672 8.930 25830 4349 1 9 . 1 1 30 30 CYS H H 30 7.637 7.637 7.703 -0.066 25830 4350 1 9 . 1 1 31 31 CYS N N 31 116.335 116.335 120.589 -4.254 25830 4351 1 9 . 1 1 31 31 CYS HA H 31 4.607 4.607 4.115 0.492 25830 4352 1 9 . 1 1 31 31 CYS C C 31 174.401 174.401 177.233 -2.832 25830 4353 1 9 . 1 1 31 31 CYS CA C 31 51.858 51.858 63.130 -11.272 25830 4354 1 9 . 1 1 31 31 CYS CB C 31 29.979 29.979 25.680 4.299 25830 4355 1 9 . 1 1 31 31 CYS H H 31 7.083 7.083 8.314 -1.231 25830 4356 1 9 . 1 1 32 32 ALA N N 32 121.738 121.738 121.405 0.333 25830 4357 1 9 . 1 1 32 32 ALA HA H 32 4.070 4.070 3.970 0.100 25830 4358 1 9 . 1 1 32 32 ALA C C 32 177.730 177.730 179.398 -1.668 25830 4359 1 9 . 1 1 32 32 ALA CA C 32 52.557 52.557 55.329 -2.772 25830 4360 1 9 . 1 1 32 32 ALA CB C 32 15.204 15.204 17.939 -2.735 25830 4361 1 9 . 1 1 32 32 ALA H H 32 8.481 8.481 8.239 0.242 25830 4362 1 9 . 1 1 33 33 GLY N N 33 108.715 108.715 106.659 2.056 25830 4363 1 9 . 1 1 33 33 GLY C C 33 172.825 172.825 176.163 -3.338 25830 4364 1 9 . 1 1 33 33 GLY CA C 33 44.748 44.748 47.276 -2.527 25830 4365 1 9 . 1 1 33 33 GLY H H 33 7.683 7.683 7.916 -0.233 25830 4366 1 9 . 1 1 34 34 VAL N N 34 121.079 121.079 121.150 -0.071 25830 4367 1 9 . 1 1 34 34 VAL HA H 34 3.489 3.489 3.678 -0.189 25830 4368 1 9 . 1 1 34 34 VAL C C 34 174.764 174.764 178.538 -3.774 25830 4369 1 9 . 1 1 34 34 VAL CA C 34 63.930 63.930 66.367 -2.437 25830 4370 1 9 . 1 1 34 34 VAL CB C 34 29.037 29.037 31.612 -2.575 25830 4371 1 9 . 1 1 34 34 VAL H H 34 8.085 8.085 7.647 0.438 25830 4372 1 9 . 1 1 35 35 LYS N N 35 117.845 117.845 119.204 -1.359 25830 4373 1 9 . 1 1 35 35 LYS HA H 35 3.814 3.814 4.041 -0.227 25830 4374 1 9 . 1 1 35 35 LYS C C 35 176.677 176.677 179.204 -2.527 25830 4375 1 9 . 1 1 35 35 LYS CA C 35 57.849 57.849 59.391 -1.542 25830 4376 1 9 . 1 1 35 35 LYS CB C 35 29.635 29.635 31.898 -2.264 25830 4377 1 9 . 1 1 35 35 LYS H H 35 8.089 8.089 7.581 0.508 25830 4378 1 9 . 1 1 36 36 LYS N N 36 120.507 120.507 120.458 0.049 25830 4379 1 9 . 1 1 36 36 LYS HA H 36 3.946 3.946 4.094 -0.148 25830 4380 1 9 . 1 1 36 36 LYS C C 36 176.481 176.481 178.792 -2.311 25830 4381 1 9 . 1 1 36 36 LYS CA C 36 56.889 56.889 58.542 -1.653 25830 4382 1 9 . 1 1 36 36 LYS CB C 36 29.999 29.999 32.027 -2.028 25830 4383 1 9 . 1 1 36 36 LYS H H 36 7.940 7.940 7.864 0.076 25830 4384 1 9 . 1 1 37 37 LEU N N 37 121.929 121.929 119.763 2.166 25830 4385 1 9 . 1 1 37 37 LEU HA H 37 4.012 4.012 3.968 0.044 25830 4386 1 9 . 1 1 37 37 LEU C C 37 175.490 175.490 178.525 -3.035 25830 4387 1 9 . 1 1 37 37 LEU CA C 37 55.567 55.567 57.662 -2.095 25830 4388 1 9 . 1 1 37 37 LEU CB C 37 38.621 38.621 41.372 -2.751 25830 4389 1 9 . 1 1 37 37 LEU H H 37 7.882 7.882 7.635 0.247 25830 4390 1 9 . 1 1 38 38 LEU N N 38 117.061 117.061 118.639 -1.578 25830 4391 1 9 . 1 1 38 38 LEU HA H 38 4.050 4.050 3.939 0.111 25830 4392 1 9 . 1 1 38 38 LEU C C 38 177.275 177.275 177.867 -0.592 25830 4393 1 9 . 1 1 38 38 LEU CA C 38 54.535 54.535 57.571 -3.036 25830 4394 1 9 . 1 1 38 38 LEU CB C 38 38.448 38.448 41.661 -3.213 25830 4395 1 9 . 1 1 38 38 LEU H H 38 7.812 7.812 7.494 0.318 25830 4396 1 9 . 1 1 39 39 ALA N N 39 119.986 119.986 118.482 1.504 25830 4397 1 9 . 1 1 39 39 ALA HA H 39 4.105 4.105 4.247 -0.142 25830 4398 1 9 . 1 1 39 39 ALA C C 39 175.721 175.721 178.363 -2.642 25830 4399 1 9 . 1 1 39 39 ALA CA C 39 50.910 50.910 52.882 -1.972 25830 4400 1 9 . 1 1 39 39 ALA CB C 39 15.545 15.545 19.375 -3.830 25830 4401 1 9 . 1 1 39 39 ALA H H 39 7.914 7.914 7.621 0.293 25830 4402 1 9 . 1 1 40 40 ALA N N 40 118.015 118.015 121.691 -3.676 25830 4403 1 9 . 1 1 40 40 ALA HA H 40 4.266 4.266 4.202 0.064 25830 4404 1 9 . 1 1 40 40 ALA C C 40 174.416 174.416 177.884 -3.468 25830 4405 1 9 . 1 1 40 40 ALA CA C 40 49.886 49.886 53.750 -3.864 25830 4406 1 9 . 1 1 40 40 ALA CB C 40 16.330 16.330 19.545 -3.215 25830 4407 1 9 . 1 1 40 40 ALA H H 40 7.302 7.302 7.485 -0.183 25830 4408 1 9 . 1 1 41 41 ALA N N 41 122.389 122.389 118.794 3.595 25830 4409 1 9 . 1 1 41 41 ALA HA H 41 4.605 4.605 4.274 0.331 25830 4410 1 9 . 1 1 41 41 ALA C C 41 172.709 172.709 176.790 -4.081 25830 4411 1 9 . 1 1 41 41 ALA CA C 41 47.917 47.917 52.394 -4.477 25830 4412 1 9 . 1 1 41 41 ALA CB C 41 15.072 15.072 19.869 -4.797 25830 4413 1 9 . 1 1 41 41 ALA H H 41 7.304 7.304 7.868 -0.564 25830 4414 1 9 . 1 1 42 42 THR N N 42 113.142 113.142 115.249 -2.107 25830 4415 1 9 . 1 1 42 42 THR HA H 42 4.422 4.422 4.443 -0.021 25830 4416 1 9 . 1 1 42 42 THR C C 42 172.086 172.086 175.476 -3.390 25830 4417 1 9 . 1 1 42 42 THR CA C 42 59.772 59.772 63.123 -3.351 25830 4418 1 9 . 1 1 42 42 THR CB C 42 66.992 66.992 69.687 -2.695 25830 4419 1 9 . 1 1 42 42 THR H H 42 8.663 8.663 8.669 -0.006 25830 4420 1 9 . 1 1 43 43 THR N N 43 111.501 111.501 112.580 -1.079 25830 4421 1 9 . 1 1 43 43 THR HA H 43 4.704 4.704 4.523 0.181 25830 4422 1 9 . 1 1 43 43 THR C C 43 172.283 172.283 175.730 -3.447 25830 4423 1 9 . 1 1 43 43 THR CA C 43 56.869 56.869 60.174 -3.305 25830 4424 1 9 . 1 1 43 43 THR CB C 43 69.211 69.211 70.882 -1.671 25830 4425 1 9 . 1 1 43 43 THR H H 43 7.705 7.705 7.589 0.116 25830 4426 1 9 . 1 1 44 44 THR N N 44 119.157 119.157 114.986 4.171 25830 4427 1 9 . 1 1 44 44 THR HA H 44 3.861 3.861 4.359 -0.498 25830 4428 1 9 . 1 1 44 44 THR CA C 44 66.420 66.420 67.722 -1.303 25830 4429 1 9 . 1 1 44 44 THR CB C 44 63.702 63.702 67.004 -3.302 25830 4430 1 9 . 1 1 44 44 THR H H 44 9.305 9.305 8.494 0.811 25830 4431 1 9 . 1 1 45 45 PRO HA H 45 4.345 4.345 4.506 -0.161 25830 4432 1 9 . 1 1 45 45 PRO C C 45 177.238 177.238 178.037 -0.799 25830 4433 1 9 . 1 1 45 45 PRO CA C 45 63.192 63.192 65.138 -1.946 25830 4434 1 9 . 1 1 45 45 PRO CB C 45 28.232 28.232 31.407 -3.175 25830 4435 1 9 . 1 1 46 46 ASP N N 46 117.412 117.412 119.293 -1.881 25830 4436 1 9 . 1 1 46 46 ASP HA H 46 4.571 4.571 4.435 0.136 25830 4437 1 9 . 1 1 46 46 ASP C C 46 175.358 175.358 178.510 -3.152 25830 4438 1 9 . 1 1 46 46 ASP CA C 46 54.436 54.436 56.811 -2.375 25830 4439 1 9 . 1 1 46 46 ASP CB C 46 37.884 37.884 40.605 -2.721 25830 4440 1 9 . 1 1 46 46 ASP H H 46 7.238 7.238 8.046 -0.808 25830 4441 1 9 . 1 1 47 47 ARG N N 47 122.342 122.342 119.257 3.085 25830 4442 1 9 . 1 1 47 47 ARG HA H 47 3.754 3.754 4.148 -0.394 25830 4443 1 9 . 1 1 47 47 ARG C C 47 176.688 176.688 178.357 -1.669 25830 4444 1 9 . 1 1 47 47 ARG CA C 47 57.351 57.351 58.674 -1.323 25830 4445 1 9 . 1 1 47 47 ARG CB C 47 26.606 26.606 29.117 -2.511 25830 4446 1 9 . 1 1 47 47 ARG H H 47 8.383 8.383 7.631 0.752 25830 4447 1 9 . 1 1 48 48 GLN N N 48 120.813 120.813 119.070 1.743 25830 4448 1 9 . 1 1 48 48 GLN HA H 48 3.650 3.650 4.003 -0.353 25830 4449 1 9 . 1 1 48 48 GLN C C 48 175.354 175.354 177.179 -1.825 25830 4450 1 9 . 1 1 48 48 GLN CA C 48 56.742 56.742 58.394 -1.652 25830 4451 1 9 . 1 1 48 48 GLN CB C 48 25.406 25.406 28.537 -3.131 25830 4452 1 9 . 1 1 48 48 GLN H H 48 8.176 8.176 7.746 0.430 25830 4453 1 9 . 1 1 49 49 ALA N N 49 122.476 122.476 121.946 0.530 25830 4454 1 9 . 1 1 49 49 ALA HA H 49 4.224 4.224 3.839 0.385 25830 4455 1 9 . 1 1 49 49 ALA C C 49 177.581 177.581 178.775 -1.194 25830 4456 1 9 . 1 1 49 49 ALA CA C 49 52.410 52.410 54.802 -2.392 25830 4457 1 9 . 1 1 49 49 ALA CB C 49 15.305 15.305 18.180 -2.875 25830 4458 1 9 . 1 1 49 49 ALA H H 49 8.079 8.079 7.467 0.612 25830 4459 1 9 . 1 1 50 50 ALA N N 50 121.104 121.104 120.067 1.037 25830 4460 1 9 . 1 1 50 50 ALA HA H 50 3.686 3.686 3.980 -0.294 25830 4461 1 9 . 1 1 50 50 ALA C C 50 175.478 175.478 178.558 -3.080 25830 4462 1 9 . 1 1 50 50 ALA CA C 50 53.344 53.344 55.093 -1.749 25830 4463 1 9 . 1 1 50 50 ALA CB C 50 14.032 14.032 18.038 -4.006 25830 4464 1 9 . 1 1 50 50 ALA H H 50 8.494 8.494 7.663 0.831 25830 4465 1 9 . 1 1 51 51 CYS N N 51 117.063 117.063 115.535 1.528 25830 4466 1 9 . 1 1 51 51 CYS HA H 51 4.091 4.091 4.011 0.080 25830 4467 1 9 . 1 1 51 51 CYS C C 51 173.692 173.692 176.463 -2.771 25830 4468 1 9 . 1 1 51 51 CYS CA C 51 57.660 57.660 60.390 -2.730 25830 4469 1 9 . 1 1 51 51 CYS CB C 51 34.278 34.278 25.112 9.166 25830 4470 1 9 . 1 1 51 51 CYS H H 51 7.466 7.466 7.760 -0.294 25830 4471 1 9 . 1 1 52 52 ASN N N 52 120.867 120.867 118.032 2.835 25830 4472 1 9 . 1 1 52 52 ASN HA H 52 4.403 4.403 4.690 -0.287 25830 4473 1 9 . 1 1 52 52 ASN C C 52 176.290 176.290 177.200 -0.910 25830 4474 1 9 . 1 1 52 52 ASN CA C 52 54.177 54.177 55.789 -1.612 25830 4475 1 9 . 1 1 52 52 ASN CB C 52 36.302 36.302 38.274 -1.972 25830 4476 1 9 . 1 1 52 52 ASN H H 52 8.164 8.164 7.314 0.850 25830 4477 1 9 . 1 1 53 53 CYS N N 53 119.542 119.542 119.725 -0.183 25830 4478 1 9 . 1 1 53 53 CYS HA H 53 4.543 4.543 4.268 0.275 25830 4479 1 9 . 1 1 53 53 CYS C C 53 175.294 175.294 177.084 -1.790 25830 4480 1 9 . 1 1 53 53 CYS CA C 53 53.637 53.637 62.348 -8.711 25830 4481 1 9 . 1 1 53 53 CYS CB C 53 34.302 34.302 26.351 7.951 25830 4482 1 9 . 1 1 53 53 CYS H H 53 8.974 8.974 7.766 1.208 25830 4483 1 9 . 1 1 54 54 LEU N N 54 124.510 124.510 118.728 5.782 25830 4484 1 9 . 1 1 54 54 LEU HA H 54 3.964 3.964 3.885 0.079 25830 4485 1 9 . 1 1 54 54 LEU C C 54 175.082 175.082 179.089 -4.007 25830 4486 1 9 . 1 1 54 54 LEU CA C 54 55.725 55.725 57.946 -2.220 25830 4487 1 9 . 1 1 54 54 LEU CB C 54 39.035 39.035 41.328 -2.293 25830 4488 1 9 . 1 1 54 54 LEU H H 54 8.794 8.794 7.907 0.887 25830 4489 1 9 . 1 1 55 55 LYS N N 55 120.615 120.615 118.472 2.143 25830 4490 1 9 . 1 1 55 55 LYS HA H 55 3.929 3.929 4.054 -0.125 25830 4491 1 9 . 1 1 55 55 LYS C C 55 176.860 176.860 178.416 -1.556 25830 4492 1 9 . 1 1 55 55 LYS CA C 55 57.089 57.089 59.342 -2.253 25830 4493 1 9 . 1 1 55 55 LYS CB C 55 30.420 30.420 32.375 -1.955 25830 4494 1 9 . 1 1 55 55 LYS H H 55 8.119 8.119 7.586 0.533 25830 4495 1 9 . 1 1 56 56 SER N N 56 113.653 113.653 115.365 -1.712 25830 4496 1 9 . 1 1 56 56 SER HA H 56 4.202 4.202 4.302 -0.100 25830 4497 1 9 . 1 1 56 56 SER C C 56 175.009 175.009 176.796 -1.787 25830 4498 1 9 . 1 1 56 56 SER CA C 56 58.397 58.397 60.859 -2.462 25830 4499 1 9 . 1 1 56 56 SER CB C 56 60.063 60.063 63.031 -2.967 25830 4500 1 9 . 1 1 56 56 SER H H 56 7.746 7.746 7.435 0.311 25830 4501 1 9 . 1 1 57 57 ALA N N 57 125.184 125.184 123.781 1.403 25830 4502 1 9 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.058 0.015 25830 4503 1 9 . 1 1 57 57 ALA C C 57 177.735 177.735 179.495 -1.760 25830 4504 1 9 . 1 1 57 57 ALA CA C 57 52.222 52.222 54.626 -2.404 25830 4505 1 9 . 1 1 57 57 ALA CB C 57 14.710 14.710 17.959 -3.249 25830 4506 1 9 . 1 1 57 57 ALA H H 57 8.370 8.370 8.366 0.004 25830 4507 1 9 . 1 1 58 58 ALA N N 58 119.288 119.288 121.067 -1.779 25830 4508 1 9 . 1 1 58 58 ALA HA H 58 3.873 3.873 4.125 -0.252 25830 4509 1 9 . 1 1 58 58 ALA C C 58 176.201 176.201 179.775 -3.574 25830 4510 1 9 . 1 1 58 58 ALA CA C 58 52.154 52.154 54.401 -2.247 25830 4511 1 9 . 1 1 58 58 ALA CB C 58 13.944 13.944 18.500 -4.556 25830 4512 1 9 . 1 1 58 58 ALA H H 58 8.355 8.355 7.720 0.635 25830 4513 1 9 . 1 1 59 59 GLY N N 59 101.896 101.896 104.461 -2.565 25830 4514 1 9 . 1 1 59 59 GLY C C 59 171.619 171.619 174.737 -3.118 25830 4515 1 9 . 1 1 59 59 GLY CA C 59 43.245 43.245 45.800 -2.555 25830 4516 1 9 . 1 1 59 59 GLY H H 59 7.613 7.613 8.173 -0.560 25830 4517 1 9 . 1 1 60 60 SER N N 60 114.297 114.297 115.004 -0.707 25830 4518 1 9 . 1 1 60 60 SER HA H 60 4.548 4.548 4.572 -0.024 25830 4519 1 9 . 1 1 60 60 SER C C 60 171.232 171.232 173.761 -2.529 25830 4520 1 9 . 1 1 60 60 SER CA C 60 55.817 55.817 57.563 -1.746 25830 4521 1 9 . 1 1 60 60 SER CB C 60 61.793 61.793 64.177 -2.384 25830 4522 1 9 . 1 1 60 60 SER H H 60 7.570 7.570 7.679 -0.109 25830 4523 1 9 . 1 1 61 61 ILE N N 61 125.096 125.096 126.048 -0.952 25830 4524 1 9 . 1 1 61 61 ILE HA H 61 4.272 4.272 4.476 -0.204 25830 4525 1 9 . 1 1 61 61 ILE C C 61 170.966 170.966 174.310 -3.344 25830 4526 1 9 . 1 1 61 61 ILE CA C 61 56.364 56.364 58.204 -1.840 25830 4527 1 9 . 1 1 61 61 ILE CB C 61 36.307 36.307 39.114 -2.807 25830 4528 1 9 . 1 1 61 61 ILE H H 61 7.222 7.222 7.443 -0.221 25830 4529 1 9 . 1 1 62 62 PRO HA H 62 4.317 4.317 4.401 -0.084 25830 4530 1 9 . 1 1 62 62 PRO C C 62 173.935 173.935 176.317 -2.382 25830 4531 1 9 . 1 1 62 62 PRO CA C 62 60.634 60.634 63.252 -2.618 25830 4532 1 9 . 1 1 62 62 PRO CB C 62 29.399 29.399 31.782 -2.383 25830 4533 1 9 . 1 1 63 63 LYS N N 63 115.837 115.837 117.187 -1.350 25830 4534 1 9 . 1 1 63 63 LYS HA H 63 3.916 3.916 3.841 0.075 25830 4535 1 9 . 1 1 63 63 LYS C C 63 172.800 172.800 176.286 -3.486 25830 4536 1 9 . 1 1 63 63 LYS CA C 63 53.303 53.303 56.360 -3.057 25830 4537 1 9 . 1 1 63 63 LYS CB C 63 26.973 26.973 29.816 -2.843 25830 4538 1 9 . 1 1 63 63 LYS H H 63 8.584 8.584 8.577 0.007 25830 4539 1 9 . 1 1 64 64 LEU N N 64 118.672 118.672 120.486 -1.814 25830 4540 1 9 . 1 1 64 64 LEU HA H 64 3.625 3.625 4.007 -0.382 25830 4541 1 9 . 1 1 64 64 LEU C C 64 173.690 173.690 176.087 -2.397 25830 4542 1 9 . 1 1 64 64 LEU CA C 64 53.929 53.929 56.077 -2.148 25830 4543 1 9 . 1 1 64 64 LEU CB C 64 39.878 39.878 42.176 -2.298 25830 4544 1 9 . 1 1 64 64 LEU H H 64 7.116 7.116 7.589 -0.473 25830 4545 1 9 . 1 1 65 65 ASN N N 65 125.562 125.562 124.589 0.973 25830 4546 1 9 . 1 1 65 65 ASN HA H 65 4.879 4.879 5.024 -0.145 25830 4547 1 9 . 1 1 65 65 ASN C C 65 174.338 174.338 175.715 -1.377 25830 4548 1 9 . 1 1 65 65 ASN CA C 65 48.862 48.862 51.582 -2.720 25830 4549 1 9 . 1 1 65 65 ASN CB C 65 34.238 34.238 38.976 -4.738 25830 4550 1 9 . 1 1 65 65 ASN H H 65 9.348 9.348 8.515 0.833 25830 4551 1 9 . 1 1 66 66 THR N N 66 118.448 118.448 116.779 1.669 25830 4552 1 9 . 1 1 66 66 THR HA H 66 3.840 3.840 3.869 -0.029 25830 4553 1 9 . 1 1 66 66 THR C C 66 174.820 174.820 175.810 -0.990 25830 4554 1 9 . 1 1 66 66 THR CA C 66 62.576 62.576 65.446 -2.870 25830 4555 1 9 . 1 1 66 66 THR CB C 66 65.348 65.348 68.740 -3.392 25830 4556 1 9 . 1 1 66 66 THR H H 66 8.735 8.735 8.544 0.191 25830 4557 1 9 . 1 1 67 67 ASN N N 67 121.545 121.545 118.718 2.827 25830 4558 1 9 . 1 1 67 67 ASN HA H 67 4.460 4.460 4.418 0.042 25830 4559 1 9 . 1 1 67 67 ASN C C 67 174.825 174.825 177.611 -2.786 25830 4560 1 9 . 1 1 67 67 ASN CA C 67 53.781 53.781 56.112 -2.331 25830 4561 1 9 . 1 1 67 67 ASN CB C 67 35.495 35.495 38.573 -3.078 25830 4562 1 9 . 1 1 67 67 ASN H H 67 8.229 8.229 8.246 -0.017 25830 4563 1 9 . 1 1 68 68 ASN N N 68 122.399 122.399 118.541 3.858 25830 4564 1 9 . 1 1 68 68 ASN HA H 68 4.463 4.463 4.437 0.026 25830 4565 1 9 . 1 1 68 68 ASN C C 68 175.357 175.357 176.174 -0.817 25830 4566 1 9 . 1 1 68 68 ASN CA C 68 52.009 52.009 55.557 -3.548 25830 4567 1 9 . 1 1 68 68 ASN CB C 68 32.853 32.853 37.947 -5.094 25830 4568 1 9 . 1 1 68 68 ASN H H 68 7.153 7.153 8.026 -0.873 25830 4569 1 9 . 1 1 69 69 ALA N N 69 123.588 123.588 120.373 3.215 25830 4570 1 9 . 1 1 69 69 ALA HA H 69 3.930 3.930 4.024 -0.094 25830 4571 1 9 . 1 1 69 69 ALA C C 69 175.919 175.919 178.242 -2.323 25830 4572 1 9 . 1 1 69 69 ALA CA C 69 53.087 53.087 54.175 -1.088 25830 4573 1 9 . 1 1 69 69 ALA CB C 69 14.867 14.867 18.421 -3.554 25830 4574 1 9 . 1 1 69 69 ALA H H 69 7.942 7.942 7.339 0.603 25830 4575 1 9 . 1 1 70 70 ALA N N 70 117.736 117.736 119.411 -1.675 25830 4576 1 9 . 1 1 70 70 ALA HA H 70 4.250 4.250 4.196 0.054 25830 4577 1 9 . 1 1 70 70 ALA C C 70 176.704 176.704 178.442 -1.738 25830 4578 1 9 . 1 1 70 70 ALA CA C 70 51.706 51.706 54.370 -2.664 25830 4579 1 9 . 1 1 70 70 ALA CB C 70 15.507 15.507 19.194 -3.687 25830 4580 1 9 . 1 1 70 70 ALA H H 70 7.574 7.574 7.375 0.199 25830 4581 1 9 . 1 1 71 71 ALA N N 71 117.858 117.858 120.881 -3.023 25830 4582 1 9 . 1 1 71 71 ALA HA H 71 4.321 4.321 4.406 -0.085 25830 4583 1 9 . 1 1 71 71 ALA C C 71 175.190 175.190 179.307 -4.117 25830 4584 1 9 . 1 1 71 71 ALA CA C 71 50.142 50.142 53.810 -3.668 25830 4585 1 9 . 1 1 71 71 ALA CB C 71 16.908 16.908 18.473 -1.565 25830 4586 1 9 . 1 1 71 71 ALA H H 71 7.676 7.676 7.480 0.196 25830 4587 1 9 . 1 1 72 72 LEU N N 72 117.566 117.566 122.237 -4.671 25830 4588 1 9 . 1 1 72 72 LEU HA H 72 4.097 4.097 4.282 -0.185 25830 4589 1 9 . 1 1 72 72 LEU C C 72 170.406 170.406 175.443 -5.037 25830 4590 1 9 . 1 1 72 72 LEU CA C 72 57.688 57.688 59.666 -1.978 25830 4591 1 9 . 1 1 72 72 LEU CB C 72 36.632 36.632 39.749 -3.117 25830 4592 1 9 . 1 1 72 72 LEU H H 72 7.494 7.494 7.746 -0.252 25830 4593 1 9 . 1 1 73 73 PRO HA H 73 3.793 3.793 4.331 -0.538 25830 4594 1 9 . 1 1 73 73 PRO C C 73 176.416 176.416 179.267 -2.851 25830 4595 1 9 . 1 1 73 73 PRO CA C 73 64.431 64.431 65.814 -1.383 25830 4596 1 9 . 1 1 73 73 PRO CB C 73 27.928 27.928 30.891 -2.963 25830 4597 1 9 . 1 1 74 74 GLY N N 74 106.170 106.170 107.613 -1.443 25830 4598 1 9 . 1 1 74 74 GLY C C 74 176.081 176.081 177.077 -0.996 25830 4599 1 9 . 1 1 74 74 GLY CA C 74 44.577 44.577 47.100 -2.523 25830 4600 1 9 . 1 1 74 74 GLY H H 74 8.374 8.374 7.863 0.511 25830 4601 1 9 . 1 1 75 75 LYS N N 75 121.379 121.379 120.639 0.740 25830 4602 1 9 . 1 1 75 75 LYS HA H 75 4.162 4.162 4.057 0.105 25830 4603 1 9 . 1 1 75 75 LYS C C 75 175.735 175.735 177.743 -2.008 25830 4604 1 9 . 1 1 75 75 LYS CA C 75 56.053 56.053 58.725 -2.672 25830 4605 1 9 . 1 1 75 75 LYS CB C 75 30.087 30.087 31.790 -1.703 25830 4606 1 9 . 1 1 75 75 LYS H H 75 8.417 8.417 8.438 -0.021 25830 4607 1 9 . 1 1 76 76 CYS N N 76 115.021 115.021 114.552 0.469 25830 4608 1 9 . 1 1 76 76 CYS HA H 76 4.895 4.895 4.517 0.378 25830 4609 1 9 . 1 1 76 76 CYS C C 76 172.300 172.300 175.756 -3.456 25830 4610 1 9 . 1 1 76 76 CYS CA C 76 49.730 49.730 59.299 -9.569 25830 4611 1 9 . 1 1 76 76 CYS CB C 76 32.817 32.817 27.151 5.665 25830 4612 1 9 . 1 1 76 76 CYS H H 76 7.756 7.756 8.107 -0.351 25830 4613 1 9 . 1 1 77 77 GLY N N 77 109.352 109.352 107.581 1.771 25830 4614 1 9 . 1 1 77 77 GLY C C 77 171.753 171.753 174.000 -2.247 25830 4615 1 9 . 1 1 77 77 GLY CA C 77 43.794 43.794 45.094 -1.300 25830 4616 1 9 . 1 1 77 77 GLY H H 77 7.894 7.894 8.105 -0.211 25830 4617 1 9 . 1 1 78 78 VAL N N 78 115.528 115.528 116.339 -0.811 25830 4618 1 9 . 1 1 78 78 VAL HA H 78 4.491 4.491 4.479 0.012 25830 4619 1 9 . 1 1 78 78 VAL C C 78 171.256 171.256 174.670 -3.414 25830 4620 1 9 . 1 1 78 78 VAL CA C 78 56.800 56.800 60.712 -3.912 25830 4621 1 9 . 1 1 78 78 VAL CB C 78 31.741 31.741 32.910 -1.169 25830 4622 1 9 . 1 1 78 78 VAL H H 78 8.137 8.137 7.457 0.680 25830 4623 1 9 . 1 1 79 79 SER N N 79 116.418 116.418 120.765 -4.347 25830 4624 1 9 . 1 1 79 79 SER HA H 79 4.583 4.583 4.690 -0.107 25830 4625 1 9 . 1 1 79 79 SER C C 79 170.681 170.681 173.821 -3.140 25830 4626 1 9 . 1 1 79 79 SER CA C 79 54.258 54.258 57.004 -2.746 25830 4627 1 9 . 1 1 79 79 SER CB C 79 61.468 61.468 63.693 -2.225 25830 4628 1 9 . 1 1 79 79 SER H H 79 8.124 8.124 8.335 -0.211 25830 4629 1 9 . 1 1 80 80 ILE N N 80 120.257 120.257 124.325 -4.068 25830 4630 1 9 . 1 1 80 80 ILE HA H 80 4.639 4.639 4.598 0.041 25830 4631 1 9 . 1 1 80 80 ILE C C 80 172.830 172.830 174.072 -1.242 25830 4632 1 9 . 1 1 80 80 ILE CA C 80 55.333 55.333 57.846 -2.513 25830 4633 1 9 . 1 1 80 80 ILE CB C 80 38.093 38.093 37.539 0.554 25830 4634 1 9 . 1 1 80 80 ILE H H 80 8.089 8.089 8.351 -0.262 25830 4635 1 9 . 1 1 81 81 PRO HA H 81 4.547 4.547 4.335 0.212 25830 4636 1 9 . 1 1 81 81 PRO C C 81 171.325 171.325 175.662 -4.337 25830 4637 1 9 . 1 1 81 81 PRO CA C 81 60.903 60.903 63.855 -2.952 25830 4638 1 9 . 1 1 81 81 PRO CB C 81 27.693 27.693 32.358 -4.665 25830 4639 1 9 . 1 1 82 82 TYR N N 82 115.259 115.259 113.586 1.673 25830 4640 1 9 . 1 1 82 82 TYR HA H 82 4.732 4.732 4.754 -0.022 25830 4641 1 9 . 1 1 82 82 TYR C C 82 170.187 170.187 174.724 -4.537 25830 4642 1 9 . 1 1 82 82 TYR CA C 82 51.930 51.930 54.889 -2.959 25830 4643 1 9 . 1 1 82 82 TYR CB C 82 37.275 37.275 39.277 -2.002 25830 4644 1 9 . 1 1 82 82 TYR H H 82 6.642 6.642 7.110 -0.468 25830 4645 1 9 . 1 1 83 83 LYS N N 83 116.992 116.992 121.261 -4.269 25830 4646 1 9 . 1 1 83 83 LYS HA H 83 4.464 4.464 4.513 -0.049 25830 4647 1 9 . 1 1 83 83 LYS C C 83 174.342 174.342 175.959 -1.617 25830 4648 1 9 . 1 1 83 83 LYS CA C 83 51.653 51.653 55.006 -3.353 25830 4649 1 9 . 1 1 83 83 LYS CB C 83 31.513 31.513 33.910 -2.397 25830 4650 1 9 . 1 1 83 83 LYS H H 83 8.301 8.301 8.358 -0.057 25830 4651 1 9 . 1 1 84 84 ILE N N 84 126.906 126.906 118.040 8.866 25830 4652 1 9 . 1 1 84 84 ILE HA H 84 3.913 3.913 4.473 -0.560 25830 4653 1 9 . 1 1 84 84 ILE C C 84 170.945 170.945 175.801 -4.856 25830 4654 1 9 . 1 1 84 84 ILE CA C 84 59.761 59.761 59.640 0.121 25830 4655 1 9 . 1 1 84 84 ILE CB C 84 33.534 33.534 36.998 -3.464 25830 4656 1 9 . 1 1 84 84 ILE H H 84 9.304 9.304 8.438 0.866 25830 4657 1 9 . 1 1 85 85 SER N N 85 120.246 120.246 117.062 3.184 25830 4658 1 9 . 1 1 85 85 SER HA H 85 4.563 4.563 4.701 -0.138 25830 4659 1 9 . 1 1 85 85 SER C C 85 171.695 171.695 176.045 -4.350 25830 4660 1 9 . 1 1 85 85 SER CA C 85 53.394 53.394 57.663 -4.269 25830 4661 1 9 . 1 1 85 85 SER CB C 85 61.638 61.638 64.579 -2.941 25830 4662 1 9 . 1 1 85 85 SER H H 85 7.256 7.256 7.677 -0.421 25830 4663 1 9 . 1 1 86 86 THR N N 86 115.458 115.458 115.293 0.165 25830 4664 1 9 . 1 1 86 86 THR HA H 86 4.147 4.147 4.078 0.069 25830 4665 1 9 . 1 1 86 86 THR C C 86 172.663 172.663 175.296 -2.633 25830 4666 1 9 . 1 1 86 86 THR CA C 86 61.527 61.527 64.780 -3.253 25830 4667 1 9 . 1 1 86 86 THR CB C 86 65.858 65.858 68.671 -2.812 25830 4668 1 9 . 1 1 86 86 THR H H 86 8.819 8.819 8.620 0.199 25830 4669 1 9 . 1 1 87 87 SER N N 87 114.029 114.029 114.458 -0.429 25830 4670 1 9 . 1 1 87 87 SER HA H 87 4.524 4.524 4.466 0.058 25830 4671 1 9 . 1 1 87 87 SER C C 87 172.010 172.010 174.991 -2.981 25830 4672 1 9 . 1 1 87 87 SER CA C 87 55.408 55.408 58.818 -3.410 25830 4673 1 9 . 1 1 87 87 SER CB C 87 61.144 61.144 63.044 -1.900 25830 4674 1 9 . 1 1 87 87 SER H H 87 8.239 8.239 7.899 0.340 25830 4675 1 9 . 1 1 88 88 THR N N 88 120.831 120.831 120.665 0.166 25830 4676 1 9 . 1 1 88 88 THR HA H 88 3.808 3.808 4.236 -0.428 25830 4677 1 9 . 1 1 88 88 THR C C 88 181.273 181.273 174.859 6.414 25830 4678 1 9 . 1 1 88 88 THR CA C 88 61.409 61.409 64.216 -2.807 25830 4679 1 9 . 1 1 88 88 THR CB C 88 67.556 67.556 69.347 -1.790 25830 4680 1 9 . 1 1 88 88 THR H H 88 7.142 7.142 7.326 -0.184 25830 4681 1 9 . 1 1 89 89 ASN N N 89 124.818 124.818 122.009 2.809 25830 4682 1 9 . 1 1 89 89 ASN HA H 89 4.819 4.819 4.748 0.071 25830 4683 1 9 . 1 1 89 89 ASN C C 89 173.325 173.325 176.355 -3.030 25830 4684 1 9 . 1 1 89 89 ASN CA C 89 48.483 48.483 52.562 -4.079 25830 4685 1 9 . 1 1 89 89 ASN CB C 89 34.958 34.958 37.832 -2.874 25830 4686 1 9 . 1 1 89 89 ASN H H 89 8.754 8.754 8.562 0.192 25830 4687 1 9 . 1 1 90 90 CYS N N 90 123.361 123.361 118.897 4.464 25830 4688 1 9 . 1 1 90 90 CYS HA H 90 4.174 4.174 4.307 -0.133 25830 4689 1 9 . 1 1 90 90 CYS C C 90 172.573 172.573 176.108 -3.535 25830 4690 1 9 . 1 1 90 90 CYS CA C 90 54.158 54.158 60.537 -6.379 25830 4691 1 9 . 1 1 90 90 CYS CB C 90 36.687 36.687 26.426 10.261 25830 4692 1 9 . 1 1 90 90 CYS H H 90 8.790 8.790 7.746 1.044 25830 4693 1 9 . 1 1 91 91 ASN N N 91 115.199 115.199 116.506 -1.307 25830 4694 1 9 . 1 1 91 91 ASN HA H 91 4.578 4.578 4.486 0.092 25830 4695 1 9 . 1 1 91 91 ASN C C 91 173.584 173.584 176.498 -2.914 25830 4696 1 9 . 1 1 91 91 ASN CA C 91 52.264 52.264 55.073 -2.809 25830 4697 1 9 . 1 1 91 91 ASN CB C 91 35.690 35.690 37.365 -1.675 25830 4698 1 9 . 1 1 91 91 ASN H H 91 8.320 8.320 8.577 -0.257 25830 4699 1 9 . 1 1 92 92 THR N N 92 107.497 107.497 110.732 -3.235 25830 4700 1 9 . 1 1 92 92 THR HA H 92 4.388 4.388 4.215 0.173 25830 4701 1 9 . 1 1 92 92 THR C C 92 171.702 171.702 175.459 -3.757 25830 4702 1 9 . 1 1 92 92 THR CA C 92 58.280 58.280 63.101 -4.821 25830 4703 1 9 . 1 1 92 92 THR CB C 92 66.107 66.107 69.763 -3.656 25830 4704 1 9 . 1 1 92 92 THR H H 92 7.338 7.338 7.726 -0.388 25830 4705 1 9 . 1 1 93 93 VAL N N 93 123.151 123.151 123.351 -0.200 25830 4706 1 9 . 1 1 93 93 VAL HA H 93 3.667 3.667 3.914 -0.247 25830 4707 1 9 . 1 1 93 93 VAL C C 93 172.207 172.207 175.495 -3.288 25830 4708 1 9 . 1 1 93 93 VAL CA C 93 59.846 59.846 63.645 -3.800 25830 4709 1 9 . 1 1 93 93 VAL CB C 93 29.999 29.999 32.126 -2.127 25830 4710 1 9 . 1 1 93 93 VAL H H 93 6.806 6.806 7.341 -0.535 25830 4711 1 9 . 1 1 94 94 ARG N N 94 127.129 127.129 124.443 2.686 25830 4712 1 9 . 1 1 94 94 ARG HA H 94 4.339 4.339 4.262 0.077 25830 4713 1 9 . 1 1 94 94 ARG C C 94 171.859 171.859 174.283 -2.424 25830 4714 1 9 . 1 1 94 94 ARG CA C 94 52.395 52.395 55.334 -2.938 25830 4715 1 9 . 1 1 94 94 ARG CB C 94 26.973 26.973 29.992 -3.019 25830 4716 1 9 . 1 1 94 94 ARG H H 94 8.201 8.201 8.477 -0.276 25830 4717 1 10 . 1 1 2 2 LEU N N 2 123.438 123.438 123.476 -0.038 25830 4718 1 10 . 1 1 2 2 LEU HA H 2 4.344 4.344 4.589 -0.245 25830 4719 1 10 . 1 1 2 2 LEU C C 2 172.388 172.388 176.108 -3.720 25830 4720 1 10 . 1 1 2 2 LEU CA C 2 52.560 52.560 55.227 -2.667 25830 4721 1 10 . 1 1 2 2 LEU CB C 2 40.603 40.603 42.331 -1.728 25830 4722 1 10 . 1 1 2 2 LEU H H 2 8.368 8.368 8.525 -0.157 25830 4723 1 10 . 1 1 3 3 SER N N 3 119.868 119.868 119.246 0.622 25830 4724 1 10 . 1 1 3 3 SER HA H 3 4.748 4.748 4.661 0.087 25830 4725 1 10 . 1 1 3 3 SER C C 3 173.163 173.163 175.390 -2.227 25830 4726 1 10 . 1 1 3 3 SER CA C 3 53.523 53.523 56.777 -3.254 25830 4727 1 10 . 1 1 3 3 SER CB C 3 62.412 62.412 65.318 -2.906 25830 4728 1 10 . 1 1 3 3 SER H H 3 8.550 8.550 8.397 0.153 25830 4729 1 10 . 1 1 4 4 CYS N N 4 120.408 120.408 126.460 -6.052 25830 4730 1 10 . 1 1 4 4 CYS HA H 4 4.586 4.586 4.283 0.303 25830 4731 1 10 . 1 1 4 4 CYS C C 4 175.067 175.067 177.016 -1.949 25830 4732 1 10 . 1 1 4 4 CYS CA C 4 52.166 52.166 60.615 -8.449 25830 4733 1 10 . 1 1 4 4 CYS CB C 4 30.372 30.372 27.006 3.366 25830 4734 1 10 . 1 1 4 4 CYS H H 4 9.222 9.222 9.147 0.075 25830 4735 1 10 . 1 1 5 5 GLY N N 5 110.663 110.663 106.835 3.828 25830 4736 1 10 . 1 1 5 5 GLY C C 5 174.023 174.023 175.503 -1.480 25830 4737 1 10 . 1 1 5 5 GLY CA C 5 44.577 44.577 47.355 -2.778 25830 4738 1 10 . 1 1 5 5 GLY H H 5 8.721 8.721 8.457 0.264 25830 4739 1 10 . 1 1 6 6 THR N N 6 118.884 118.884 115.929 2.955 25830 4740 1 10 . 1 1 6 6 THR HA H 6 4.031 4.031 4.437 -0.406 25830 4741 1 10 . 1 1 6 6 THR C C 6 172.782 172.782 176.927 -4.145 25830 4742 1 10 . 1 1 6 6 THR CA C 6 62.801 62.801 64.571 -1.770 25830 4743 1 10 . 1 1 6 6 THR CB C 6 65.896 65.896 69.429 -3.533 25830 4744 1 10 . 1 1 6 6 THR H H 6 7.676 7.676 7.826 -0.150 25830 4745 1 10 . 1 1 7 7 VAL N N 7 120.789 120.789 123.494 -2.705 25830 4746 1 10 . 1 1 7 7 VAL HA H 7 3.607 3.607 3.676 -0.069 25830 4747 1 10 . 1 1 7 7 VAL C C 7 174.356 174.356 177.980 -3.624 25830 4748 1 10 . 1 1 7 7 VAL CA C 7 63.774 63.774 66.196 -2.422 25830 4749 1 10 . 1 1 7 7 VAL CB C 7 28.610 28.610 30.637 -2.027 25830 4750 1 10 . 1 1 7 7 VAL H H 7 7.280 7.280 7.461 -0.181 25830 4751 1 10 . 1 1 8 8 SER N N 8 114.047 114.047 116.067 -2.020 25830 4752 1 10 . 1 1 8 8 SER HA H 8 3.858 3.858 4.088 -0.230 25830 4753 1 10 . 1 1 8 8 SER C C 8 173.948 173.948 175.832 -1.884 25830 4754 1 10 . 1 1 8 8 SER CA C 8 59.791 59.791 62.023 -2.232 25830 4755 1 10 . 1 1 8 8 SER CB C 8 59.242 59.242 62.581 -3.339 25830 4756 1 10 . 1 1 8 8 SER H H 8 8.501 8.501 8.254 0.247 25830 4757 1 10 . 1 1 9 9 ALA N N 9 123.669 123.669 122.944 0.725 25830 4758 1 10 . 1 1 9 9 ALA HA H 9 4.165 4.165 4.101 0.064 25830 4759 1 10 . 1 1 9 9 ALA C C 9 177.740 177.740 178.961 -1.221 25830 4760 1 10 . 1 1 9 9 ALA CA C 9 52.218 52.218 54.535 -2.317 25830 4761 1 10 . 1 1 9 9 ALA CB C 9 15.348 15.348 18.277 -2.929 25830 4762 1 10 . 1 1 9 9 ALA H H 9 7.685 7.685 7.482 0.203 25830 4763 1 10 . 1 1 10 10 ASP N N 10 118.653 118.653 117.055 1.598 25830 4764 1 10 . 1 1 10 10 ASP HA H 10 4.414 4.414 4.550 -0.136 25830 4765 1 10 . 1 1 10 10 ASP C C 10 173.327 173.327 177.499 -4.172 25830 4766 1 10 . 1 1 10 10 ASP CA C 10 53.357 53.357 56.322 -2.965 25830 4767 1 10 . 1 1 10 10 ASP CB C 10 35.579 35.579 41.106 -5.527 25830 4768 1 10 . 1 1 10 10 ASP H H 10 8.161 8.161 8.229 -0.068 25830 4769 1 10 . 1 1 11 11 LEU N N 11 115.104 115.104 120.112 -5.008 25830 4770 1 10 . 1 1 11 11 LEU HA H 11 4.183 4.183 4.188 -0.005 25830 4771 1 10 . 1 1 11 11 LEU C C 11 175.206 175.206 178.032 -2.826 25830 4772 1 10 . 1 1 11 11 LEU CA C 11 51.360 51.360 56.413 -5.053 25830 4773 1 10 . 1 1 11 11 LEU CB C 11 40.185 40.185 41.749 -1.564 25830 4774 1 10 . 1 1 11 11 LEU H H 11 7.731 7.731 7.697 0.034 25830 4775 1 10 . 1 1 12 12 ALA N N 12 124.133 124.133 122.817 1.316 25830 4776 1 10 . 1 1 12 12 ALA HA H 12 4.309 4.309 4.132 0.177 25830 4777 1 10 . 1 1 12 12 ALA C C 12 174.540 174.540 176.930 -2.390 25830 4778 1 10 . 1 1 12 12 ALA CA C 12 54.075 54.075 56.679 -2.604 25830 4779 1 10 . 1 1 12 12 ALA CB C 12 13.256 13.256 16.423 -3.167 25830 4780 1 10 . 1 1 12 12 ALA H H 12 7.481 7.481 7.805 -0.324 25830 4781 1 10 . 1 1 13 13 PRO HA H 13 4.674 4.674 4.482 0.192 25830 4782 1 10 . 1 1 13 13 PRO C C 13 174.824 174.824 176.695 -1.871 25830 4783 1 10 . 1 1 13 13 PRO CA C 13 61.982 61.982 64.528 -2.546 25830 4784 1 10 . 1 1 13 13 PRO CB C 13 28.804 28.804 31.233 -2.429 25830 4785 1 10 . 1 1 14 14 CYS N N 14 114.225 114.225 116.977 -2.752 25830 4786 1 10 . 1 1 14 14 CYS HA H 14 4.722 4.722 4.638 0.084 25830 4787 1 10 . 1 1 14 14 CYS C C 14 172.376 172.376 176.799 -4.423 25830 4788 1 10 . 1 1 14 14 CYS CA C 14 51.481 51.481 60.611 -9.130 25830 4789 1 10 . 1 1 14 14 CYS CB C 14 39.508 39.508 27.452 12.056 25830 4790 1 10 . 1 1 14 14 CYS H H 14 8.938 8.938 7.633 1.305 25830 4791 1 10 . 1 1 15 15 VAL N N 15 122.488 122.488 122.198 0.290 25830 4792 1 10 . 1 1 15 15 VAL HA H 15 3.350 3.350 3.641 -0.291 25830 4793 1 10 . 1 1 15 15 VAL C C 15 173.644 173.644 177.685 -4.041 25830 4794 1 10 . 1 1 15 15 VAL CA C 15 66.608 66.608 66.306 0.302 25830 4795 1 10 . 1 1 15 15 VAL CB C 15 28.692 28.692 31.047 -2.355 25830 4796 1 10 . 1 1 15 15 VAL H H 15 7.767 7.767 8.231 -0.464 25830 4797 1 10 . 1 1 16 16 THR N N 16 112.169 112.169 115.023 -2.854 25830 4798 1 10 . 1 1 16 16 THR HA H 16 4.012 4.012 3.941 0.071 25830 4799 1 10 . 1 1 16 16 THR C C 16 175.021 175.021 176.206 -1.185 25830 4800 1 10 . 1 1 16 16 THR CA C 16 63.879 63.879 66.351 -2.472 25830 4801 1 10 . 1 1 16 16 THR CB C 16 65.364 65.364 68.999 -3.635 25830 4802 1 10 . 1 1 16 16 THR H H 16 8.258 8.258 7.926 0.332 25830 4803 1 10 . 1 1 17 17 TYR N N 17 124.563 124.563 120.549 4.014 25830 4804 1 10 . 1 1 17 17 TYR HA H 17 4.265 4.265 4.359 -0.094 25830 4805 1 10 . 1 1 17 17 TYR C C 17 174.326 174.326 177.224 -2.898 25830 4806 1 10 . 1 1 17 17 TYR CA C 17 58.001 58.001 60.099 -2.098 25830 4807 1 10 . 1 1 17 17 TYR CB C 17 35.252 35.252 38.264 -3.011 25830 4808 1 10 . 1 1 17 17 TYR H H 17 8.280 8.280 8.160 0.120 25830 4809 1 10 . 1 1 18 18 LEU N N 18 119.213 119.213 118.774 0.439 25830 4810 1 10 . 1 1 18 18 LEU HA H 18 3.630 3.630 3.768 -0.138 25830 4811 1 10 . 1 1 18 18 LEU C C 18 172.858 172.858 178.343 -5.485 25830 4812 1 10 . 1 1 18 18 LEU CA C 18 54.171 54.171 57.023 -2.852 25830 4813 1 10 . 1 1 18 18 LEU CB C 18 38.310 38.310 41.623 -3.313 25830 4814 1 10 . 1 1 18 18 LEU H H 18 8.394 8.394 7.688 0.706 25830 4815 1 10 . 1 1 19 19 GLN N N 19 114.782 114.782 115.012 -0.230 25830 4816 1 10 . 1 1 19 19 GLN HA H 19 4.582 4.582 4.281 0.301 25830 4817 1 10 . 1 1 19 19 GLN C C 19 172.754 172.754 175.930 -3.176 25830 4818 1 10 . 1 1 19 19 GLN CA C 19 52.320 52.320 55.688 -3.368 25830 4819 1 10 . 1 1 19 19 GLN CB C 19 27.954 27.954 29.386 -1.432 25830 4820 1 10 . 1 1 19 19 GLN H H 19 7.319 7.319 7.505 -0.186 25830 4821 1 10 . 1 1 20 20 ALA N N 20 126.473 126.473 123.624 2.849 25830 4822 1 10 . 1 1 20 20 ALA HA H 20 4.494 4.494 4.586 -0.092 25830 4823 1 10 . 1 1 20 20 ALA C C 20 171.072 171.072 175.344 -4.272 25830 4824 1 10 . 1 1 20 20 ALA CA C 20 48.862 48.862 50.108 -1.246 25830 4825 1 10 . 1 1 20 20 ALA CB C 20 15.610 15.610 18.622 -3.012 25830 4826 1 10 . 1 1 20 20 ALA H H 20 7.292 7.292 7.044 0.248 25830 4827 1 10 . 1 1 21 21 PRO HA H 21 4.440 4.440 4.445 -0.005 25830 4828 1 10 . 1 1 21 21 PRO C C 21 174.052 174.052 177.178 -3.126 25830 4829 1 10 . 1 1 21 21 PRO CA C 21 59.522 59.522 61.943 -2.421 25830 4830 1 10 . 1 1 21 21 PRO CB C 21 29.853 29.853 32.339 -2.486 25830 4831 1 10 . 1 1 22 22 ASN N N 22 117.448 117.448 117.653 -0.205 25830 4832 1 10 . 1 1 22 22 ASN HA H 22 4.754 4.754 4.615 0.139 25830 4833 1 10 . 1 1 22 22 ASN C C 22 173.299 173.299 175.790 -2.491 25830 4834 1 10 . 1 1 22 22 ASN CA C 22 51.478 51.478 55.219 -3.741 25830 4835 1 10 . 1 1 22 22 ASN CB C 22 35.291 35.291 37.981 -2.690 25830 4836 1 10 . 1 1 22 22 ASN H H 22 8.466 8.466 8.753 -0.287 25830 4837 1 10 . 1 1 23 23 ASN N N 23 113.171 113.171 116.747 -3.576 25830 4838 1 10 . 1 1 23 23 ASN HA H 23 4.555 4.555 4.632 -0.077 25830 4839 1 10 . 1 1 23 23 ASN C C 23 172.210 172.210 175.041 -2.831 25830 4840 1 10 . 1 1 23 23 ASN CA C 23 50.626 50.626 53.723 -3.097 25830 4841 1 10 . 1 1 23 23 ASN CB C 23 34.278 34.278 38.409 -4.131 25830 4842 1 10 . 1 1 23 23 ASN H H 23 8.187 8.187 8.152 0.035 25830 4843 1 10 . 1 1 24 24 ALA N N 24 122.578 122.578 122.041 0.537 25830 4844 1 10 . 1 1 24 24 ALA HA H 24 4.394 4.394 4.488 -0.094 25830 4845 1 10 . 1 1 24 24 ALA C C 24 173.708 173.708 176.536 -2.828 25830 4846 1 10 . 1 1 24 24 ALA CA C 24 49.696 49.696 52.059 -2.363 25830 4847 1 10 . 1 1 24 24 ALA CB C 24 18.288 18.288 19.887 -1.599 25830 4848 1 10 . 1 1 24 24 ALA H H 24 7.381 7.381 7.543 -0.162 25830 4849 1 10 . 1 1 25 25 SER N N 25 115.237 115.237 115.095 0.142 25830 4850 1 10 . 1 1 25 25 SER HA H 25 4.922 4.922 4.633 0.289 25830 4851 1 10 . 1 1 25 25 SER C C 25 181.107 181.107 172.371 8.736 25830 4852 1 10 . 1 1 25 25 SER CA C 25 53.033 53.033 55.958 -2.925 25830 4853 1 10 . 1 1 25 25 SER CB C 25 61.549 61.549 64.372 -2.823 25830 4854 1 10 . 1 1 25 25 SER H H 25 8.649 8.649 8.203 0.446 25830 4855 1 10 . 1 1 26 26 PRO HA H 26 4.014 4.014 4.195 -0.181 25830 4856 1 10 . 1 1 26 26 PRO CA C 26 57.292 57.292 61.027 -3.735 25830 4857 1 10 . 1 1 26 26 PRO CB C 26 27.450 27.450 31.056 -3.606 25830 4858 1 10 . 1 1 27 27 PRO HA H 27 4.881 4.881 4.717 0.164 25830 4859 1 10 . 1 1 27 27 PRO CA C 27 58.500 58.500 60.861 -2.361 25830 4860 1 10 . 1 1 27 27 PRO CB C 27 28.489 28.489 30.862 -2.373 25830 4861 1 10 . 1 1 28 28 PRO HA H 28 4.421 4.421 4.256 0.165 25830 4862 1 10 . 1 1 28 28 PRO CA C 28 64.505 64.505 66.536 -2.031 25830 4863 1 10 . 1 1 28 28 PRO CB C 28 26.217 26.217 29.780 -3.563 25830 4864 1 10 . 1 1 29 29 PRO HA H 29 4.477 4.477 4.400 0.077 25830 4865 1 10 . 1 1 29 29 PRO C C 29 177.330 177.330 178.587 -1.257 25830 4866 1 10 . 1 1 29 29 PRO CA C 29 62.883 62.883 65.191 -2.308 25830 4867 1 10 . 1 1 29 29 PRO CB C 29 28.301 28.301 31.181 -2.880 25830 4868 1 10 . 1 1 30 30 CYS N N 30 114.694 114.694 117.919 -3.225 25830 4869 1 10 . 1 1 30 30 CYS HA H 30 4.456 4.456 4.296 0.160 25830 4870 1 10 . 1 1 30 30 CYS C C 30 172.260 172.260 176.717 -4.457 25830 4871 1 10 . 1 1 30 30 CYS CA C 30 55.585 55.585 61.327 -5.742 25830 4872 1 10 . 1 1 30 30 CYS CB C 30 34.602 34.602 25.887 8.715 25830 4873 1 10 . 1 1 30 30 CYS H H 30 7.637 7.637 7.641 -0.004 25830 4874 1 10 . 1 1 31 31 CYS N N 31 116.335 116.335 120.274 -3.939 25830 4875 1 10 . 1 1 31 31 CYS HA H 31 4.607 4.607 4.114 0.493 25830 4876 1 10 . 1 1 31 31 CYS C C 31 174.401 174.401 177.213 -2.812 25830 4877 1 10 . 1 1 31 31 CYS CA C 31 51.858 51.858 62.525 -10.667 25830 4878 1 10 . 1 1 31 31 CYS CB C 31 29.979 29.979 25.603 4.376 25830 4879 1 10 . 1 1 31 31 CYS H H 31 7.083 7.083 8.021 -0.938 25830 4880 1 10 . 1 1 32 32 ALA N N 32 121.738 121.738 121.510 0.228 25830 4881 1 10 . 1 1 32 32 ALA HA H 32 4.070 4.070 4.022 0.048 25830 4882 1 10 . 1 1 32 32 ALA C C 32 177.730 177.730 179.392 -1.662 25830 4883 1 10 . 1 1 32 32 ALA CA C 32 52.557 52.557 55.148 -2.591 25830 4884 1 10 . 1 1 32 32 ALA CB C 32 15.204 15.204 18.024 -2.820 25830 4885 1 10 . 1 1 32 32 ALA H H 32 8.481 8.481 7.826 0.655 25830 4886 1 10 . 1 1 33 33 GLY N N 33 108.715 108.715 106.613 2.102 25830 4887 1 10 . 1 1 33 33 GLY C C 33 172.825 172.825 176.262 -3.437 25830 4888 1 10 . 1 1 33 33 GLY CA C 33 44.748 44.748 47.185 -2.438 25830 4889 1 10 . 1 1 33 33 GLY H H 33 7.683 7.683 7.728 -0.045 25830 4890 1 10 . 1 1 34 34 VAL N N 34 121.079 121.079 121.030 0.049 25830 4891 1 10 . 1 1 34 34 VAL HA H 34 3.489 3.489 3.729 -0.240 25830 4892 1 10 . 1 1 34 34 VAL C C 34 174.764 174.764 178.490 -3.726 25830 4893 1 10 . 1 1 34 34 VAL CA C 34 63.930 63.930 66.240 -2.310 25830 4894 1 10 . 1 1 34 34 VAL CB C 34 29.037 29.037 31.692 -2.655 25830 4895 1 10 . 1 1 34 34 VAL H H 34 8.085 8.085 7.560 0.525 25830 4896 1 10 . 1 1 35 35 LYS N N 35 117.845 117.845 119.967 -2.122 25830 4897 1 10 . 1 1 35 35 LYS HA H 35 3.814 3.814 4.075 -0.261 25830 4898 1 10 . 1 1 35 35 LYS C C 35 176.677 176.677 179.009 -2.332 25830 4899 1 10 . 1 1 35 35 LYS CA C 35 57.849 57.849 59.204 -1.355 25830 4900 1 10 . 1 1 35 35 LYS CB C 35 29.635 29.635 32.008 -2.373 25830 4901 1 10 . 1 1 35 35 LYS H H 35 8.089 8.089 7.620 0.469 25830 4902 1 10 . 1 1 36 36 LYS N N 36 120.507 120.507 120.044 0.463 25830 4903 1 10 . 1 1 36 36 LYS HA H 36 3.946 3.946 4.111 -0.165 25830 4904 1 10 . 1 1 36 36 LYS C C 36 176.481 176.481 178.639 -2.158 25830 4905 1 10 . 1 1 36 36 LYS CA C 36 56.889 56.889 58.356 -1.467 25830 4906 1 10 . 1 1 36 36 LYS CB C 36 29.999 29.999 31.814 -1.815 25830 4907 1 10 . 1 1 36 36 LYS H H 36 7.940 7.940 7.719 0.221 25830 4908 1 10 . 1 1 37 37 LEU N N 37 121.929 121.929 120.614 1.315 25830 4909 1 10 . 1 1 37 37 LEU HA H 37 4.012 4.012 3.983 0.029 25830 4910 1 10 . 1 1 37 37 LEU C C 37 175.490 175.490 178.374 -2.884 25830 4911 1 10 . 1 1 37 37 LEU CA C 37 55.567 55.567 57.870 -2.303 25830 4912 1 10 . 1 1 37 37 LEU CB C 37 38.621 38.621 41.473 -2.852 25830 4913 1 10 . 1 1 37 37 LEU H H 37 7.882 7.882 7.455 0.427 25830 4914 1 10 . 1 1 38 38 LEU N N 38 117.061 117.061 119.508 -2.447 25830 4915 1 10 . 1 1 38 38 LEU HA H 38 4.050 4.050 3.990 0.060 25830 4916 1 10 . 1 1 38 38 LEU C C 38 177.275 177.275 179.101 -1.826 25830 4917 1 10 . 1 1 38 38 LEU CA C 38 54.535 54.535 58.106 -3.571 25830 4918 1 10 . 1 1 38 38 LEU CB C 38 38.448 38.448 41.238 -2.790 25830 4919 1 10 . 1 1 38 38 LEU H H 38 7.812 7.812 7.606 0.206 25830 4920 1 10 . 1 1 39 39 ALA N N 39 119.986 119.986 117.823 2.163 25830 4921 1 10 . 1 1 39 39 ALA HA H 39 4.105 4.105 4.293 -0.188 25830 4922 1 10 . 1 1 39 39 ALA C C 39 175.721 175.721 177.474 -1.753 25830 4923 1 10 . 1 1 39 39 ALA CA C 39 50.910 50.910 52.281 -1.371 25830 4924 1 10 . 1 1 39 39 ALA CB C 39 15.545 15.545 18.535 -2.990 25830 4925 1 10 . 1 1 39 39 ALA H H 39 7.914 7.914 7.647 0.267 25830 4926 1 10 . 1 1 40 40 ALA N N 40 118.015 118.015 121.497 -3.482 25830 4927 1 10 . 1 1 40 40 ALA HA H 40 4.266 4.266 4.386 -0.120 25830 4928 1 10 . 1 1 40 40 ALA C C 40 174.416 174.416 177.926 -3.510 25830 4929 1 10 . 1 1 40 40 ALA CA C 40 49.886 49.886 52.756 -2.870 25830 4930 1 10 . 1 1 40 40 ALA CB C 40 16.330 16.330 19.691 -3.361 25830 4931 1 10 . 1 1 40 40 ALA H H 40 7.302 7.302 7.504 -0.202 25830 4932 1 10 . 1 1 41 41 ALA N N 41 122.389 122.389 120.809 1.580 25830 4933 1 10 . 1 1 41 41 ALA HA H 41 4.605 4.605 4.295 0.310 25830 4934 1 10 . 1 1 41 41 ALA C C 41 172.709 172.709 177.261 -4.552 25830 4935 1 10 . 1 1 41 41 ALA CA C 41 47.917 47.917 52.145 -4.228 25830 4936 1 10 . 1 1 41 41 ALA CB C 41 15.072 15.072 19.770 -4.697 25830 4937 1 10 . 1 1 41 41 ALA H H 41 7.304 7.304 7.496 -0.192 25830 4938 1 10 . 1 1 42 42 THR N N 42 113.142 113.142 113.450 -0.308 25830 4939 1 10 . 1 1 42 42 THR HA H 42 4.422 4.422 4.312 0.110 25830 4940 1 10 . 1 1 42 42 THR C C 42 172.086 172.086 174.912 -2.826 25830 4941 1 10 . 1 1 42 42 THR CA C 42 59.772 59.772 63.095 -3.323 25830 4942 1 10 . 1 1 42 42 THR CB C 42 66.992 66.992 68.888 -1.896 25830 4943 1 10 . 1 1 42 42 THR H H 42 8.663 8.663 8.153 0.510 25830 4944 1 10 . 1 1 43 43 THR N N 43 111.501 111.501 110.136 1.365 25830 4945 1 10 . 1 1 43 43 THR HA H 43 4.704 4.704 4.492 0.212 25830 4946 1 10 . 1 1 43 43 THR C C 43 172.283 172.283 175.043 -2.760 25830 4947 1 10 . 1 1 43 43 THR CA C 43 56.869 56.869 59.258 -2.389 25830 4948 1 10 . 1 1 43 43 THR CB C 43 69.211 69.211 71.612 -2.401 25830 4949 1 10 . 1 1 43 43 THR H H 43 7.705 7.705 7.504 0.201 25830 4950 1 10 . 1 1 44 44 THR N N 44 119.157 119.157 116.463 2.694 25830 4951 1 10 . 1 1 44 44 THR HA H 44 3.861 3.861 4.303 -0.442 25830 4952 1 10 . 1 1 44 44 THR CA C 44 66.420 66.420 67.243 -0.823 25830 4953 1 10 . 1 1 44 44 THR CB C 44 63.702 63.702 67.199 -3.497 25830 4954 1 10 . 1 1 44 44 THR H H 44 9.305 9.305 8.481 0.824 25830 4955 1 10 . 1 1 45 45 PRO HA H 45 4.345 4.345 4.529 -0.184 25830 4956 1 10 . 1 1 45 45 PRO C C 45 177.238 177.238 178.390 -1.152 25830 4957 1 10 . 1 1 45 45 PRO CA C 45 63.192 63.192 65.255 -2.063 25830 4958 1 10 . 1 1 45 45 PRO CB C 45 28.232 28.232 31.223 -2.991 25830 4959 1 10 . 1 1 46 46 ASP N N 46 117.412 117.412 120.152 -2.740 25830 4960 1 10 . 1 1 46 46 ASP HA H 46 4.571 4.571 4.434 0.137 25830 4961 1 10 . 1 1 46 46 ASP C C 46 175.358 175.358 177.577 -2.219 25830 4962 1 10 . 1 1 46 46 ASP CA C 46 54.436 54.436 56.743 -2.307 25830 4963 1 10 . 1 1 46 46 ASP CB C 46 37.884 37.884 40.288 -2.404 25830 4964 1 10 . 1 1 46 46 ASP H H 46 7.238 7.238 8.391 -1.153 25830 4965 1 10 . 1 1 47 47 ARG N N 47 122.342 122.342 119.086 3.256 25830 4966 1 10 . 1 1 47 47 ARG HA H 47 3.754 3.754 4.002 -0.248 25830 4967 1 10 . 1 1 47 47 ARG C C 47 176.688 176.688 178.220 -1.532 25830 4968 1 10 . 1 1 47 47 ARG CA C 47 57.351 57.351 58.717 -1.366 25830 4969 1 10 . 1 1 47 47 ARG CB C 47 26.606 26.606 29.085 -2.479 25830 4970 1 10 . 1 1 47 47 ARG H H 47 8.383 8.383 7.454 0.929 25830 4971 1 10 . 1 1 48 48 GLN N N 48 120.813 120.813 119.007 1.806 25830 4972 1 10 . 1 1 48 48 GLN HA H 48 3.650 3.650 4.000 -0.350 25830 4973 1 10 . 1 1 48 48 GLN C C 48 175.354 175.354 177.878 -2.524 25830 4974 1 10 . 1 1 48 48 GLN CA C 48 56.742 56.742 58.571 -1.829 25830 4975 1 10 . 1 1 48 48 GLN CB C 48 25.406 25.406 28.577 -3.171 25830 4976 1 10 . 1 1 48 48 GLN H H 48 8.176 8.176 7.793 0.383 25830 4977 1 10 . 1 1 49 49 ALA N N 49 122.476 122.476 121.092 1.384 25830 4978 1 10 . 1 1 49 49 ALA HA H 49 4.224 4.224 4.001 0.223 25830 4979 1 10 . 1 1 49 49 ALA C C 49 177.581 177.581 179.000 -1.419 25830 4980 1 10 . 1 1 49 49 ALA CA C 49 52.410 52.410 54.630 -2.220 25830 4981 1 10 . 1 1 49 49 ALA CB C 49 15.305 15.305 18.033 -2.728 25830 4982 1 10 . 1 1 49 49 ALA H H 49 8.079 8.079 7.665 0.414 25830 4983 1 10 . 1 1 50 50 ALA N N 50 121.104 121.104 120.410 0.694 25830 4984 1 10 . 1 1 50 50 ALA HA H 50 3.686 3.686 4.014 -0.328 25830 4985 1 10 . 1 1 50 50 ALA C C 50 175.478 175.478 178.773 -3.295 25830 4986 1 10 . 1 1 50 50 ALA CA C 50 53.344 53.344 54.926 -1.582 25830 4987 1 10 . 1 1 50 50 ALA CB C 50 14.032 14.032 18.018 -3.986 25830 4988 1 10 . 1 1 50 50 ALA H H 50 8.494 8.494 7.546 0.948 25830 4989 1 10 . 1 1 51 51 CYS N N 51 117.063 117.063 116.287 0.776 25830 4990 1 10 . 1 1 51 51 CYS HA H 51 4.091 4.091 4.139 -0.048 25830 4991 1 10 . 1 1 51 51 CYS C C 51 173.692 173.692 176.496 -2.804 25830 4992 1 10 . 1 1 51 51 CYS CA C 51 57.660 57.660 60.361 -2.701 25830 4993 1 10 . 1 1 51 51 CYS CB C 51 34.278 34.278 25.396 8.882 25830 4994 1 10 . 1 1 51 51 CYS H H 51 7.466 7.466 7.906 -0.440 25830 4995 1 10 . 1 1 52 52 ASN N N 52 120.867 120.867 118.484 2.383 25830 4996 1 10 . 1 1 52 52 ASN HA H 52 4.403 4.403 4.580 -0.177 25830 4997 1 10 . 1 1 52 52 ASN C C 52 176.290 176.290 177.050 -0.760 25830 4998 1 10 . 1 1 52 52 ASN CA C 52 54.177 54.177 55.883 -1.706 25830 4999 1 10 . 1 1 52 52 ASN CB C 52 36.302 36.302 38.045 -1.743 25830 5000 1 10 . 1 1 52 52 ASN H H 52 8.164 8.164 7.381 0.783 25830 5001 1 10 . 1 1 53 53 CYS N N 53 119.542 119.542 118.352 1.190 25830 5002 1 10 . 1 1 53 53 CYS HA H 53 4.543 4.543 4.195 0.348 25830 5003 1 10 . 1 1 53 53 CYS C C 53 175.294 175.294 177.078 -1.784 25830 5004 1 10 . 1 1 53 53 CYS CA C 53 53.637 53.637 62.324 -8.687 25830 5005 1 10 . 1 1 53 53 CYS CB C 53 34.302 34.302 25.558 8.744 25830 5006 1 10 . 1 1 53 53 CYS H H 53 8.974 8.974 7.863 1.111 25830 5007 1 10 . 1 1 54 54 LEU N N 54 124.510 124.510 121.768 2.742 25830 5008 1 10 . 1 1 54 54 LEU HA H 54 3.964 3.964 3.997 -0.033 25830 5009 1 10 . 1 1 54 54 LEU C C 54 175.082 175.082 178.273 -3.191 25830 5010 1 10 . 1 1 54 54 LEU CA C 54 55.725 55.725 58.681 -2.956 25830 5011 1 10 . 1 1 54 54 LEU CB C 54 39.035 39.035 41.392 -2.357 25830 5012 1 10 . 1 1 54 54 LEU H H 54 8.794 8.794 7.724 1.070 25830 5013 1 10 . 1 1 55 55 LYS N N 55 120.615 120.615 118.294 2.321 25830 5014 1 10 . 1 1 55 55 LYS HA H 55 3.929 3.929 3.909 0.020 25830 5015 1 10 . 1 1 55 55 LYS C C 55 176.860 176.860 178.752 -1.892 25830 5016 1 10 . 1 1 55 55 LYS CA C 55 57.089 57.089 59.473 -2.384 25830 5017 1 10 . 1 1 55 55 LYS CB C 55 30.420 30.420 31.944 -1.524 25830 5018 1 10 . 1 1 55 55 LYS H H 55 8.119 8.119 7.918 0.201 25830 5019 1 10 . 1 1 56 56 SER N N 56 113.653 113.653 113.735 -0.082 25830 5020 1 10 . 1 1 56 56 SER HA H 56 4.202 4.202 4.324 -0.122 25830 5021 1 10 . 1 1 56 56 SER C C 56 175.009 175.009 176.810 -1.801 25830 5022 1 10 . 1 1 56 56 SER CA C 56 58.397 58.397 60.741 -2.344 25830 5023 1 10 . 1 1 56 56 SER CB C 56 60.063 60.063 63.227 -3.164 25830 5024 1 10 . 1 1 56 56 SER H H 56 7.746 7.746 7.409 0.337 25830 5025 1 10 . 1 1 57 57 ALA N N 57 125.184 125.184 124.657 0.527 25830 5026 1 10 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.147 -0.074 25830 5027 1 10 . 1 1 57 57 ALA C C 57 177.735 177.735 179.468 -1.733 25830 5028 1 10 . 1 1 57 57 ALA CA C 57 52.222 52.222 54.307 -2.085 25830 5029 1 10 . 1 1 57 57 ALA CB C 57 14.710 14.710 18.327 -3.617 25830 5030 1 10 . 1 1 57 57 ALA H H 57 8.370 8.370 7.728 0.642 25830 5031 1 10 . 1 1 58 58 ALA N N 58 119.288 119.288 120.843 -1.555 25830 5032 1 10 . 1 1 58 58 ALA HA H 58 3.873 3.873 4.088 -0.215 25830 5033 1 10 . 1 1 58 58 ALA C C 58 176.201 176.201 179.282 -3.081 25830 5034 1 10 . 1 1 58 58 ALA CA C 58 52.154 52.154 54.323 -2.169 25830 5035 1 10 . 1 1 58 58 ALA CB C 58 13.944 13.944 18.524 -4.580 25830 5036 1 10 . 1 1 58 58 ALA H H 58 8.355 8.355 8.067 0.288 25830 5037 1 10 . 1 1 59 59 GLY N N 59 101.896 101.896 105.193 -3.297 25830 5038 1 10 . 1 1 59 59 GLY C C 59 171.619 171.619 174.701 -3.082 25830 5039 1 10 . 1 1 59 59 GLY CA C 59 43.245 43.245 45.834 -2.589 25830 5040 1 10 . 1 1 59 59 GLY H H 59 7.613 7.613 7.938 -0.325 25830 5041 1 10 . 1 1 60 60 SER N N 60 114.297 114.297 114.859 -0.562 25830 5042 1 10 . 1 1 60 60 SER HA H 60 4.548 4.548 4.564 -0.016 25830 5043 1 10 . 1 1 60 60 SER C C 60 171.232 171.232 174.117 -2.885 25830 5044 1 10 . 1 1 60 60 SER CA C 60 55.817 55.817 57.479 -1.662 25830 5045 1 10 . 1 1 60 60 SER CB C 60 61.793 61.793 64.351 -2.558 25830 5046 1 10 . 1 1 60 60 SER H H 60 7.570 7.570 7.737 -0.167 25830 5047 1 10 . 1 1 61 61 ILE N N 61 125.096 125.096 124.933 0.163 25830 5048 1 10 . 1 1 61 61 ILE HA H 61 4.272 4.272 4.546 -0.274 25830 5049 1 10 . 1 1 61 61 ILE C C 61 170.966 170.966 174.099 -3.133 25830 5050 1 10 . 1 1 61 61 ILE CA C 61 56.364 56.364 58.486 -2.122 25830 5051 1 10 . 1 1 61 61 ILE CB C 61 36.307 36.307 38.820 -2.513 25830 5052 1 10 . 1 1 61 61 ILE H H 61 7.222 7.222 7.429 -0.207 25830 5053 1 10 . 1 1 62 62 PRO HA H 62 4.317 4.317 4.365 -0.048 25830 5054 1 10 . 1 1 62 62 PRO C C 62 173.935 173.935 176.234 -2.299 25830 5055 1 10 . 1 1 62 62 PRO CA C 62 60.634 60.634 63.120 -2.486 25830 5056 1 10 . 1 1 62 62 PRO CB C 62 29.399 29.399 31.706 -2.307 25830 5057 1 10 . 1 1 63 63 LYS N N 63 115.837 115.837 117.072 -1.235 25830 5058 1 10 . 1 1 63 63 LYS HA H 63 3.916 3.916 3.795 0.121 25830 5059 1 10 . 1 1 63 63 LYS C C 63 172.800 172.800 176.147 -3.347 25830 5060 1 10 . 1 1 63 63 LYS CA C 63 53.303 53.303 56.769 -3.466 25830 5061 1 10 . 1 1 63 63 LYS CB C 63 26.973 26.973 30.331 -3.358 25830 5062 1 10 . 1 1 63 63 LYS H H 63 8.584 8.584 8.446 0.138 25830 5063 1 10 . 1 1 64 64 LEU N N 64 118.672 118.672 120.193 -1.521 25830 5064 1 10 . 1 1 64 64 LEU HA H 64 3.625 3.625 4.056 -0.431 25830 5065 1 10 . 1 1 64 64 LEU C C 64 173.690 173.690 176.245 -2.555 25830 5066 1 10 . 1 1 64 64 LEU CA C 64 53.929 53.929 55.747 -1.818 25830 5067 1 10 . 1 1 64 64 LEU CB C 64 39.878 39.878 42.262 -2.384 25830 5068 1 10 . 1 1 64 64 LEU H H 64 7.116 7.116 7.512 -0.396 25830 5069 1 10 . 1 1 65 65 ASN N N 65 125.562 125.562 125.802 -0.240 25830 5070 1 10 . 1 1 65 65 ASN HA H 65 4.879 4.879 4.929 -0.050 25830 5071 1 10 . 1 1 65 65 ASN C C 65 174.338 174.338 176.243 -1.905 25830 5072 1 10 . 1 1 65 65 ASN CA C 65 48.862 48.862 51.452 -2.590 25830 5073 1 10 . 1 1 65 65 ASN CB C 65 34.238 34.238 37.965 -3.727 25830 5074 1 10 . 1 1 65 65 ASN H H 65 9.348 9.348 8.293 1.055 25830 5075 1 10 . 1 1 66 66 THR N N 66 118.448 118.448 116.855 1.593 25830 5076 1 10 . 1 1 66 66 THR HA H 66 3.840 3.840 3.875 -0.035 25830 5077 1 10 . 1 1 66 66 THR C C 66 174.820 174.820 175.930 -1.110 25830 5078 1 10 . 1 1 66 66 THR CA C 66 62.576 62.576 66.076 -3.500 25830 5079 1 10 . 1 1 66 66 THR CB C 66 65.348 65.348 68.837 -3.489 25830 5080 1 10 . 1 1 66 66 THR H H 66 8.735 8.735 7.957 0.778 25830 5081 1 10 . 1 1 67 67 ASN N N 67 121.545 121.545 119.482 2.063 25830 5082 1 10 . 1 1 67 67 ASN HA H 67 4.460 4.460 4.459 0.001 25830 5083 1 10 . 1 1 67 67 ASN C C 67 174.825 174.825 178.186 -3.361 25830 5084 1 10 . 1 1 67 67 ASN CA C 67 53.781 53.781 55.997 -2.216 25830 5085 1 10 . 1 1 67 67 ASN CB C 67 35.495 35.495 38.512 -3.017 25830 5086 1 10 . 1 1 67 67 ASN H H 67 8.229 8.229 8.237 -0.008 25830 5087 1 10 . 1 1 68 68 ASN N N 68 122.399 122.399 118.605 3.794 25830 5088 1 10 . 1 1 68 68 ASN HA H 68 4.463 4.463 4.442 0.021 25830 5089 1 10 . 1 1 68 68 ASN C C 68 175.357 175.357 176.322 -0.965 25830 5090 1 10 . 1 1 68 68 ASN CA C 68 52.009 52.009 55.515 -3.506 25830 5091 1 10 . 1 1 68 68 ASN CB C 68 32.853 32.853 37.888 -5.035 25830 5092 1 10 . 1 1 68 68 ASN H H 68 7.153 7.153 7.960 -0.807 25830 5093 1 10 . 1 1 69 69 ALA N N 69 123.588 123.588 120.242 3.346 25830 5094 1 10 . 1 1 69 69 ALA HA H 69 3.930 3.930 4.029 -0.099 25830 5095 1 10 . 1 1 69 69 ALA C C 69 175.919 175.919 178.198 -2.279 25830 5096 1 10 . 1 1 69 69 ALA CA C 69 53.087 53.087 54.096 -1.009 25830 5097 1 10 . 1 1 69 69 ALA CB C 69 14.867 14.867 18.466 -3.599 25830 5098 1 10 . 1 1 69 69 ALA H H 69 7.942 7.942 7.388 0.554 25830 5099 1 10 . 1 1 70 70 ALA N N 70 117.736 117.736 119.774 -2.038 25830 5100 1 10 . 1 1 70 70 ALA HA H 70 4.250 4.250 4.229 0.021 25830 5101 1 10 . 1 1 70 70 ALA C C 70 176.704 176.704 178.920 -2.216 25830 5102 1 10 . 1 1 70 70 ALA CA C 70 51.706 51.706 54.462 -2.756 25830 5103 1 10 . 1 1 70 70 ALA CB C 70 15.507 15.507 19.140 -3.633 25830 5104 1 10 . 1 1 70 70 ALA H H 70 7.574 7.574 7.439 0.135 25830 5105 1 10 . 1 1 71 71 ALA N N 71 117.858 117.858 120.512 -2.654 25830 5106 1 10 . 1 1 71 71 ALA HA H 71 4.321 4.321 4.419 -0.098 25830 5107 1 10 . 1 1 71 71 ALA C C 71 175.190 175.190 179.303 -4.113 25830 5108 1 10 . 1 1 71 71 ALA CA C 71 50.142 50.142 53.706 -3.564 25830 5109 1 10 . 1 1 71 71 ALA CB C 71 16.908 16.908 18.356 -1.448 25830 5110 1 10 . 1 1 71 71 ALA H H 71 7.676 7.676 7.423 0.253 25830 5111 1 10 . 1 1 72 72 LEU N N 72 117.566 117.566 122.453 -4.887 25830 5112 1 10 . 1 1 72 72 LEU HA H 72 4.097 4.097 4.269 -0.172 25830 5113 1 10 . 1 1 72 72 LEU C C 72 170.406 170.406 175.351 -4.945 25830 5114 1 10 . 1 1 72 72 LEU CA C 72 57.688 57.688 59.654 -1.966 25830 5115 1 10 . 1 1 72 72 LEU CB C 72 36.632 36.632 39.719 -3.087 25830 5116 1 10 . 1 1 72 72 LEU H H 72 7.494 7.494 7.955 -0.461 25830 5117 1 10 . 1 1 73 73 PRO HA H 73 3.793 3.793 4.305 -0.512 25830 5118 1 10 . 1 1 73 73 PRO C C 73 176.416 176.416 179.297 -2.881 25830 5119 1 10 . 1 1 73 73 PRO CA C 73 64.431 64.431 65.889 -1.458 25830 5120 1 10 . 1 1 73 73 PRO CB C 73 27.928 27.928 30.768 -2.840 25830 5121 1 10 . 1 1 74 74 GLY N N 74 106.170 106.170 107.452 -1.282 25830 5122 1 10 . 1 1 74 74 GLY C C 74 176.081 176.081 176.278 -0.197 25830 5123 1 10 . 1 1 74 74 GLY CA C 74 44.577 44.577 47.148 -2.571 25830 5124 1 10 . 1 1 74 74 GLY H H 74 8.374 8.374 7.883 0.491 25830 5125 1 10 . 1 1 75 75 LYS N N 75 121.379 121.379 119.411 1.968 25830 5126 1 10 . 1 1 75 75 LYS HA H 75 4.162 4.162 4.157 0.005 25830 5127 1 10 . 1 1 75 75 LYS C C 75 175.735 175.735 178.247 -2.512 25830 5128 1 10 . 1 1 75 75 LYS CA C 75 56.053 56.053 58.164 -2.111 25830 5129 1 10 . 1 1 75 75 LYS CB C 75 30.087 30.087 32.455 -2.368 25830 5130 1 10 . 1 1 75 75 LYS H H 75 8.417 8.417 8.186 0.231 25830 5131 1 10 . 1 1 76 76 CYS N N 76 115.021 115.021 116.230 -1.209 25830 5132 1 10 . 1 1 76 76 CYS HA H 76 4.895 4.895 4.440 0.455 25830 5133 1 10 . 1 1 76 76 CYS C C 76 172.300 172.300 175.145 -2.845 25830 5134 1 10 . 1 1 76 76 CYS CA C 76 49.730 49.730 58.981 -9.251 25830 5135 1 10 . 1 1 76 76 CYS CB C 76 32.817 32.817 26.660 6.157 25830 5136 1 10 . 1 1 76 76 CYS H H 76 7.756 7.756 7.609 0.147 25830 5137 1 10 . 1 1 77 77 GLY N N 77 109.352 109.352 108.052 1.300 25830 5138 1 10 . 1 1 77 77 GLY C C 77 171.753 171.753 174.205 -2.452 25830 5139 1 10 . 1 1 77 77 GLY CA C 77 43.794 43.794 45.463 -1.669 25830 5140 1 10 . 1 1 77 77 GLY H H 77 7.894 7.894 7.711 0.183 25830 5141 1 10 . 1 1 78 78 VAL N N 78 115.528 115.528 117.276 -1.748 25830 5142 1 10 . 1 1 78 78 VAL HA H 78 4.491 4.491 4.469 0.022 25830 5143 1 10 . 1 1 78 78 VAL C C 78 171.256 171.256 174.931 -3.675 25830 5144 1 10 . 1 1 78 78 VAL CA C 78 56.800 56.800 60.130 -3.330 25830 5145 1 10 . 1 1 78 78 VAL CB C 78 31.741 31.741 32.720 -0.979 25830 5146 1 10 . 1 1 78 78 VAL H H 78 8.137 8.137 7.433 0.704 25830 5147 1 10 . 1 1 79 79 SER N N 79 116.418 116.418 120.618 -4.200 25830 5148 1 10 . 1 1 79 79 SER HA H 79 4.583 4.583 4.638 -0.055 25830 5149 1 10 . 1 1 79 79 SER C C 79 170.681 170.681 174.190 -3.509 25830 5150 1 10 . 1 1 79 79 SER CA C 79 54.258 54.258 57.325 -3.067 25830 5151 1 10 . 1 1 79 79 SER CB C 79 61.468 61.468 63.852 -2.385 25830 5152 1 10 . 1 1 79 79 SER H H 79 8.124 8.124 8.245 -0.121 25830 5153 1 10 . 1 1 80 80 ILE N N 80 120.257 120.257 121.061 -0.804 25830 5154 1 10 . 1 1 80 80 ILE HA H 80 4.639 4.639 4.505 0.134 25830 5155 1 10 . 1 1 80 80 ILE C C 80 172.830 172.830 174.094 -1.264 25830 5156 1 10 . 1 1 80 80 ILE CA C 80 55.333 55.333 58.104 -2.771 25830 5157 1 10 . 1 1 80 80 ILE CB C 80 38.093 38.093 38.889 -0.796 25830 5158 1 10 . 1 1 80 80 ILE H H 80 8.089 8.089 8.131 -0.042 25830 5159 1 10 . 1 1 81 81 PRO HA H 81 4.547 4.547 4.350 0.197 25830 5160 1 10 . 1 1 81 81 PRO C C 81 171.325 171.325 176.016 -4.691 25830 5161 1 10 . 1 1 81 81 PRO CA C 81 60.903 60.903 64.103 -3.200 25830 5162 1 10 . 1 1 81 81 PRO CB C 81 27.693 27.693 32.412 -4.719 25830 5163 1 10 . 1 1 82 82 TYR N N 82 115.259 115.259 115.849 -0.590 25830 5164 1 10 . 1 1 82 82 TYR HA H 82 4.732 4.732 4.750 -0.018 25830 5165 1 10 . 1 1 82 82 TYR C C 82 170.187 170.187 173.509 -3.322 25830 5166 1 10 . 1 1 82 82 TYR CA C 82 51.930 51.930 56.011 -4.081 25830 5167 1 10 . 1 1 82 82 TYR CB C 82 37.275 37.275 39.604 -2.329 25830 5168 1 10 . 1 1 82 82 TYR H H 82 6.642 6.642 7.268 -0.626 25830 5169 1 10 . 1 1 83 83 LYS N N 83 116.992 116.992 118.175 -1.183 25830 5170 1 10 . 1 1 83 83 LYS HA H 83 4.464 4.464 4.528 -0.064 25830 5171 1 10 . 1 1 83 83 LYS C C 83 174.342 174.342 176.576 -2.234 25830 5172 1 10 . 1 1 83 83 LYS CA C 83 51.653 51.653 54.537 -2.884 25830 5173 1 10 . 1 1 83 83 LYS CB C 83 31.513 31.513 35.585 -4.072 25830 5174 1 10 . 1 1 83 83 LYS H H 83 8.301 8.301 8.443 -0.142 25830 5175 1 10 . 1 1 84 84 ILE N N 84 126.906 126.906 121.941 4.965 25830 5176 1 10 . 1 1 84 84 ILE HA H 84 3.913 3.913 4.381 -0.468 25830 5177 1 10 . 1 1 84 84 ILE C C 84 170.945 170.945 174.913 -3.968 25830 5178 1 10 . 1 1 84 84 ILE CA C 84 59.761 59.761 60.198 -0.437 25830 5179 1 10 . 1 1 84 84 ILE CB C 84 33.534 33.534 34.975 -1.441 25830 5180 1 10 . 1 1 84 84 ILE H H 84 9.304 9.304 8.533 0.771 25830 5181 1 10 . 1 1 85 85 SER N N 85 120.246 120.246 118.344 1.902 25830 5182 1 10 . 1 1 85 85 SER HA H 85 4.563 4.563 4.786 -0.223 25830 5183 1 10 . 1 1 85 85 SER C C 85 171.695 171.695 175.367 -3.672 25830 5184 1 10 . 1 1 85 85 SER CA C 85 53.394 53.394 57.291 -3.897 25830 5185 1 10 . 1 1 85 85 SER CB C 85 61.638 61.638 65.966 -4.329 25830 5186 1 10 . 1 1 85 85 SER H H 85 7.256 7.256 7.750 -0.494 25830 5187 1 10 . 1 1 86 86 THR N N 86 115.458 115.458 113.785 1.673 25830 5188 1 10 . 1 1 86 86 THR HA H 86 4.147 4.147 4.168 -0.021 25830 5189 1 10 . 1 1 86 86 THR C C 86 172.663 172.663 175.044 -2.381 25830 5190 1 10 . 1 1 86 86 THR CA C 86 61.527 61.527 63.840 -2.313 25830 5191 1 10 . 1 1 86 86 THR CB C 86 65.858 65.858 68.768 -2.910 25830 5192 1 10 . 1 1 86 86 THR H H 86 8.819 8.819 8.600 0.219 25830 5193 1 10 . 1 1 87 87 SER N N 87 114.029 114.029 115.131 -1.102 25830 5194 1 10 . 1 1 87 87 SER HA H 87 4.524 4.524 4.476 0.048 25830 5195 1 10 . 1 1 87 87 SER C C 87 172.010 172.010 174.762 -2.752 25830 5196 1 10 . 1 1 87 87 SER CA C 87 55.408 55.408 58.847 -3.439 25830 5197 1 10 . 1 1 87 87 SER CB C 87 61.144 61.144 63.580 -2.436 25830 5198 1 10 . 1 1 87 87 SER H H 87 8.239 8.239 7.890 0.349 25830 5199 1 10 . 1 1 88 88 THR N N 88 120.831 120.831 119.700 1.131 25830 5200 1 10 . 1 1 88 88 THR HA H 88 3.808 3.808 4.312 -0.504 25830 5201 1 10 . 1 1 88 88 THR C C 88 181.273 181.273 174.224 7.049 25830 5202 1 10 . 1 1 88 88 THR CA C 88 61.409 61.409 63.591 -2.182 25830 5203 1 10 . 1 1 88 88 THR CB C 88 67.556 67.556 69.502 -1.946 25830 5204 1 10 . 1 1 88 88 THR H H 88 7.142 7.142 7.447 -0.305 25830 5205 1 10 . 1 1 89 89 ASN N N 89 124.818 124.818 125.390 -0.572 25830 5206 1 10 . 1 1 89 89 ASN HA H 89 4.819 4.819 4.746 0.073 25830 5207 1 10 . 1 1 89 89 ASN C C 89 173.325 173.325 175.837 -2.512 25830 5208 1 10 . 1 1 89 89 ASN CA C 89 48.483 48.483 52.896 -4.413 25830 5209 1 10 . 1 1 89 89 ASN CB C 89 34.958 34.958 38.561 -3.603 25830 5210 1 10 . 1 1 89 89 ASN H H 89 8.754 8.754 8.732 0.022 25830 5211 1 10 . 1 1 90 90 CYS N N 90 123.361 123.361 123.272 0.089 25830 5212 1 10 . 1 1 90 90 CYS HA H 90 4.174 4.174 4.180 -0.006 25830 5213 1 10 . 1 1 90 90 CYS C C 90 172.573 172.573 175.978 -3.405 25830 5214 1 10 . 1 1 90 90 CYS CA C 90 54.158 54.158 60.905 -6.747 25830 5215 1 10 . 1 1 90 90 CYS CB C 90 36.687 36.687 26.572 10.115 25830 5216 1 10 . 1 1 90 90 CYS H H 90 8.790 8.790 8.177 0.613 25830 5217 1 10 . 1 1 91 91 ASN N N 91 115.199 115.199 114.576 0.623 25830 5218 1 10 . 1 1 91 91 ASN HA H 91 4.578 4.578 4.703 -0.125 25830 5219 1 10 . 1 1 91 91 ASN C C 91 173.584 173.584 176.393 -2.809 25830 5220 1 10 . 1 1 91 91 ASN CA C 91 52.264 52.264 55.361 -3.097 25830 5221 1 10 . 1 1 91 91 ASN CB C 91 35.690 35.690 38.441 -2.751 25830 5222 1 10 . 1 1 91 91 ASN H H 91 8.320 8.320 8.493 -0.173 25830 5223 1 10 . 1 1 92 92 THR N N 92 107.497 107.497 110.750 -3.253 25830 5224 1 10 . 1 1 92 92 THR HA H 92 4.388 4.388 4.344 0.044 25830 5225 1 10 . 1 1 92 92 THR C C 92 171.702 171.702 174.846 -3.144 25830 5226 1 10 . 1 1 92 92 THR CA C 92 58.280 58.280 61.348 -3.068 25830 5227 1 10 . 1 1 92 92 THR CB C 92 66.107 66.107 68.725 -2.618 25830 5228 1 10 . 1 1 92 92 THR H H 92 7.338 7.338 7.694 -0.356 25830 5229 1 10 . 1 1 93 93 VAL N N 93 123.151 123.151 121.973 1.178 25830 5230 1 10 . 1 1 93 93 VAL HA H 93 3.667 3.667 4.049 -0.382 25830 5231 1 10 . 1 1 93 93 VAL C C 93 172.207 172.207 175.783 -3.576 25830 5232 1 10 . 1 1 93 93 VAL CA C 93 59.846 59.846 61.646 -1.800 25830 5233 1 10 . 1 1 93 93 VAL CB C 93 29.999 29.999 32.879 -2.880 25830 5234 1 10 . 1 1 93 93 VAL H H 93 6.806 6.806 7.370 -0.564 25830 5235 1 10 . 1 1 94 94 ARG N N 94 127.129 127.129 124.577 2.552 25830 5236 1 10 . 1 1 94 94 ARG HA H 94 4.339 4.339 3.954 0.385 25830 5237 1 10 . 1 1 94 94 ARG C C 94 171.859 171.859 176.958 -5.099 25830 5238 1 10 . 1 1 94 94 ARG CA C 94 52.395 52.395 55.928 -3.533 25830 5239 1 10 . 1 1 94 94 ARG CB C 94 26.973 26.973 30.843 -3.870 25830 5240 1 10 . 1 1 94 94 ARG H H 94 8.201 8.201 8.418 -0.217 25830 5241 1 11 . 1 1 2 2 LEU N N 2 123.438 123.438 120.562 2.876 25830 5242 1 11 . 1 1 2 2 LEU HA H 2 4.344 4.344 4.661 -0.317 25830 5243 1 11 . 1 1 2 2 LEU C C 2 172.388 172.388 175.825 -3.437 25830 5244 1 11 . 1 1 2 2 LEU CA C 2 52.560 52.560 55.318 -2.758 25830 5245 1 11 . 1 1 2 2 LEU CB C 2 40.603 40.603 45.624 -5.021 25830 5246 1 11 . 1 1 2 2 LEU H H 2 8.368 8.368 8.344 0.024 25830 5247 1 11 . 1 1 3 3 SER N N 3 119.868 119.868 117.078 2.790 25830 5248 1 11 . 1 1 3 3 SER HA H 3 4.748 4.748 4.776 -0.028 25830 5249 1 11 . 1 1 3 3 SER C C 3 173.163 173.163 175.168 -2.005 25830 5250 1 11 . 1 1 3 3 SER CA C 3 53.523 53.523 57.027 -3.504 25830 5251 1 11 . 1 1 3 3 SER CB C 3 62.412 62.412 64.706 -2.294 25830 5252 1 11 . 1 1 3 3 SER H H 3 8.550 8.550 8.262 0.288 25830 5253 1 11 . 1 1 4 4 CYS N N 4 120.408 120.408 123.957 -3.549 25830 5254 1 11 . 1 1 4 4 CYS HA H 4 4.586 4.586 4.196 0.390 25830 5255 1 11 . 1 1 4 4 CYS C C 4 175.067 175.067 176.829 -1.762 25830 5256 1 11 . 1 1 4 4 CYS CA C 4 52.166 52.166 61.557 -9.391 25830 5257 1 11 . 1 1 4 4 CYS CB C 4 30.372 30.372 26.923 3.449 25830 5258 1 11 . 1 1 4 4 CYS H H 4 9.222 9.222 9.132 0.090 25830 5259 1 11 . 1 1 5 5 GLY N N 5 110.663 110.663 107.313 3.350 25830 5260 1 11 . 1 1 5 5 GLY C C 5 174.023 174.023 175.361 -1.338 25830 5261 1 11 . 1 1 5 5 GLY CA C 5 44.577 44.577 47.205 -2.628 25830 5262 1 11 . 1 1 5 5 GLY H H 5 8.721 8.721 8.507 0.214 25830 5263 1 11 . 1 1 6 6 THR N N 6 118.884 118.884 116.316 2.568 25830 5264 1 11 . 1 1 6 6 THR HA H 6 4.031 4.031 4.319 -0.288 25830 5265 1 11 . 1 1 6 6 THR C C 6 172.782 172.782 176.727 -3.945 25830 5266 1 11 . 1 1 6 6 THR CA C 6 62.801 62.801 64.670 -1.869 25830 5267 1 11 . 1 1 6 6 THR CB C 6 65.896 65.896 69.233 -3.337 25830 5268 1 11 . 1 1 6 6 THR H H 6 7.676 7.676 7.848 -0.172 25830 5269 1 11 . 1 1 7 7 VAL N N 7 120.789 120.789 123.488 -2.699 25830 5270 1 11 . 1 1 7 7 VAL HA H 7 3.607 3.607 3.796 -0.189 25830 5271 1 11 . 1 1 7 7 VAL C C 7 174.356 174.356 177.697 -3.341 25830 5272 1 11 . 1 1 7 7 VAL CA C 7 63.774 63.774 66.323 -2.550 25830 5273 1 11 . 1 1 7 7 VAL CB C 7 28.610 28.610 31.155 -2.545 25830 5274 1 11 . 1 1 7 7 VAL H H 7 7.280 7.280 7.904 -0.624 25830 5275 1 11 . 1 1 8 8 SER N N 8 114.047 114.047 114.132 -0.085 25830 5276 1 11 . 1 1 8 8 SER HA H 8 3.858 3.858 4.087 -0.229 25830 5277 1 11 . 1 1 8 8 SER C C 8 173.948 173.948 175.681 -1.733 25830 5278 1 11 . 1 1 8 8 SER CA C 8 59.791 59.791 60.598 -0.807 25830 5279 1 11 . 1 1 8 8 SER CB C 8 59.242 59.242 62.690 -3.447 25830 5280 1 11 . 1 1 8 8 SER H H 8 8.501 8.501 7.755 0.746 25830 5281 1 11 . 1 1 9 9 ALA N N 9 123.669 123.669 122.504 1.165 25830 5282 1 11 . 1 1 9 9 ALA HA H 9 4.165 4.165 4.106 0.059 25830 5283 1 11 . 1 1 9 9 ALA C C 9 177.740 177.740 179.197 -1.457 25830 5284 1 11 . 1 1 9 9 ALA CA C 9 52.218 52.218 54.823 -2.605 25830 5285 1 11 . 1 1 9 9 ALA CB C 9 15.348 15.348 18.326 -2.978 25830 5286 1 11 . 1 1 9 9 ALA H H 9 7.685 7.685 7.590 0.095 25830 5287 1 11 . 1 1 10 10 ASP N N 10 118.653 118.653 116.860 1.793 25830 5288 1 11 . 1 1 10 10 ASP HA H 10 4.414 4.414 4.523 -0.109 25830 5289 1 11 . 1 1 10 10 ASP C C 10 173.327 173.327 177.729 -4.402 25830 5290 1 11 . 1 1 10 10 ASP CA C 10 53.357 53.357 56.091 -2.734 25830 5291 1 11 . 1 1 10 10 ASP CB C 10 35.579 35.579 40.604 -5.025 25830 5292 1 11 . 1 1 10 10 ASP H H 10 8.161 8.161 7.824 0.337 25830 5293 1 11 . 1 1 11 11 LEU N N 11 115.104 115.104 119.864 -4.760 25830 5294 1 11 . 1 1 11 11 LEU HA H 11 4.183 4.183 4.209 -0.026 25830 5295 1 11 . 1 1 11 11 LEU C C 11 175.206 175.206 178.342 -3.136 25830 5296 1 11 . 1 1 11 11 LEU CA C 11 51.360 51.360 55.917 -4.557 25830 5297 1 11 . 1 1 11 11 LEU CB C 11 40.185 40.185 41.612 -1.427 25830 5298 1 11 . 1 1 11 11 LEU H H 11 7.731 7.731 7.282 0.449 25830 5299 1 11 . 1 1 12 12 ALA N N 12 124.133 124.133 123.124 1.009 25830 5300 1 11 . 1 1 12 12 ALA HA H 12 4.309 4.309 4.107 0.202 25830 5301 1 11 . 1 1 12 12 ALA C C 12 174.540 174.540 177.484 -2.944 25830 5302 1 11 . 1 1 12 12 ALA CA C 12 54.075 54.075 56.678 -2.603 25830 5303 1 11 . 1 1 12 12 ALA CB C 12 13.256 13.256 16.172 -2.916 25830 5304 1 11 . 1 1 12 12 ALA H H 12 7.481 7.481 7.844 -0.363 25830 5305 1 11 . 1 1 13 13 PRO HA H 13 4.674 4.674 4.484 0.191 25830 5306 1 11 . 1 1 13 13 PRO C C 13 174.824 174.824 176.659 -1.835 25830 5307 1 11 . 1 1 13 13 PRO CA C 13 61.982 61.982 64.555 -2.573 25830 5308 1 11 . 1 1 13 13 PRO CB C 13 28.804 28.804 31.234 -2.430 25830 5309 1 11 . 1 1 14 14 CYS N N 14 114.225 114.225 116.003 -1.778 25830 5310 1 11 . 1 1 14 14 CYS HA H 14 4.722 4.722 4.761 -0.039 25830 5311 1 11 . 1 1 14 14 CYS C C 14 172.376 172.376 176.553 -4.177 25830 5312 1 11 . 1 1 14 14 CYS CA C 14 51.481 51.481 59.497 -8.016 25830 5313 1 11 . 1 1 14 14 CYS CB C 14 39.508 39.508 27.317 12.191 25830 5314 1 11 . 1 1 14 14 CYS H H 14 8.938 8.938 7.656 1.282 25830 5315 1 11 . 1 1 15 15 VAL N N 15 122.488 122.488 122.462 0.026 25830 5316 1 11 . 1 1 15 15 VAL HA H 15 3.350 3.350 3.518 -0.168 25830 5317 1 11 . 1 1 15 15 VAL C C 15 173.644 173.644 177.355 -3.711 25830 5318 1 11 . 1 1 15 15 VAL CA C 15 66.608 66.608 67.460 -0.852 25830 5319 1 11 . 1 1 15 15 VAL CB C 15 28.692 28.692 31.794 -3.102 25830 5320 1 11 . 1 1 15 15 VAL H H 15 7.767 7.767 7.772 -0.005 25830 5321 1 11 . 1 1 16 16 THR N N 16 112.169 112.169 113.973 -1.804 25830 5322 1 11 . 1 1 16 16 THR HA H 16 4.012 4.012 3.879 0.133 25830 5323 1 11 . 1 1 16 16 THR C C 16 175.021 175.021 176.330 -1.309 25830 5324 1 11 . 1 1 16 16 THR CA C 16 63.879 63.879 66.334 -2.455 25830 5325 1 11 . 1 1 16 16 THR CB C 16 65.364 65.364 68.867 -3.503 25830 5326 1 11 . 1 1 16 16 THR H H 16 8.258 8.258 8.124 0.134 25830 5327 1 11 . 1 1 17 17 TYR N N 17 124.563 124.563 121.563 3.000 25830 5328 1 11 . 1 1 17 17 TYR HA H 17 4.265 4.265 4.269 -0.004 25830 5329 1 11 . 1 1 17 17 TYR C C 17 174.326 174.326 177.755 -3.429 25830 5330 1 11 . 1 1 17 17 TYR CA C 17 58.001 58.001 60.624 -2.623 25830 5331 1 11 . 1 1 17 17 TYR CB C 17 35.252 35.252 38.199 -2.947 25830 5332 1 11 . 1 1 17 17 TYR H H 17 8.280 8.280 8.075 0.205 25830 5333 1 11 . 1 1 18 18 LEU N N 18 119.213 119.213 118.469 0.744 25830 5334 1 11 . 1 1 18 18 LEU HA H 18 3.630 3.630 3.584 0.046 25830 5335 1 11 . 1 1 18 18 LEU C C 18 172.858 172.858 178.635 -5.777 25830 5336 1 11 . 1 1 18 18 LEU CA C 18 54.171 54.171 56.827 -2.656 25830 5337 1 11 . 1 1 18 18 LEU CB C 18 38.310 38.310 41.363 -3.053 25830 5338 1 11 . 1 1 18 18 LEU H H 18 8.394 8.394 8.105 0.289 25830 5339 1 11 . 1 1 19 19 GLN N N 19 114.782 114.782 115.671 -0.889 25830 5340 1 11 . 1 1 19 19 GLN HA H 19 4.582 4.582 4.227 0.355 25830 5341 1 11 . 1 1 19 19 GLN C C 19 172.754 172.754 176.301 -3.547 25830 5342 1 11 . 1 1 19 19 GLN CA C 19 52.320 52.320 56.430 -4.110 25830 5343 1 11 . 1 1 19 19 GLN CB C 19 27.954 27.954 29.375 -1.421 25830 5344 1 11 . 1 1 19 19 GLN H H 19 7.319 7.319 7.711 -0.392 25830 5345 1 11 . 1 1 20 20 ALA N N 20 126.473 126.473 123.224 3.249 25830 5346 1 11 . 1 1 20 20 ALA HA H 20 4.494 4.494 4.597 -0.103 25830 5347 1 11 . 1 1 20 20 ALA C C 20 171.072 171.072 175.069 -3.997 25830 5348 1 11 . 1 1 20 20 ALA CA C 20 48.862 48.862 50.007 -1.145 25830 5349 1 11 . 1 1 20 20 ALA CB C 20 15.610 15.610 18.738 -3.128 25830 5350 1 11 . 1 1 20 20 ALA H H 20 7.292 7.292 7.281 0.011 25830 5351 1 11 . 1 1 21 21 PRO HA H 21 4.440 4.440 4.432 0.008 25830 5352 1 11 . 1 1 21 21 PRO C C 21 174.052 174.052 177.483 -3.431 25830 5353 1 11 . 1 1 21 21 PRO CA C 21 59.522 59.522 61.816 -2.294 25830 5354 1 11 . 1 1 21 21 PRO CB C 21 29.853 29.853 32.479 -2.626 25830 5355 1 11 . 1 1 22 22 ASN N N 22 117.448 117.448 117.426 0.022 25830 5356 1 11 . 1 1 22 22 ASN HA H 22 4.754 4.754 4.598 0.156 25830 5357 1 11 . 1 1 22 22 ASN C C 22 173.299 173.299 176.178 -2.879 25830 5358 1 11 . 1 1 22 22 ASN CA C 22 51.478 51.478 55.149 -3.671 25830 5359 1 11 . 1 1 22 22 ASN CB C 22 35.291 35.291 37.844 -2.553 25830 5360 1 11 . 1 1 22 22 ASN H H 22 8.466 8.466 8.713 -0.247 25830 5361 1 11 . 1 1 23 23 ASN N N 23 113.171 113.171 115.408 -2.237 25830 5362 1 11 . 1 1 23 23 ASN HA H 23 4.555 4.555 4.632 -0.077 25830 5363 1 11 . 1 1 23 23 ASN C C 23 172.210 172.210 175.288 -3.078 25830 5364 1 11 . 1 1 23 23 ASN CA C 23 50.626 50.626 53.410 -2.784 25830 5365 1 11 . 1 1 23 23 ASN CB C 23 34.278 34.278 38.178 -3.900 25830 5366 1 11 . 1 1 23 23 ASN H H 23 8.187 8.187 8.197 -0.010 25830 5367 1 11 . 1 1 24 24 ALA N N 24 122.578 122.578 122.198 0.380 25830 5368 1 11 . 1 1 24 24 ALA HA H 24 4.394 4.394 4.529 -0.135 25830 5369 1 11 . 1 1 24 24 ALA C C 24 173.708 173.708 176.520 -2.812 25830 5370 1 11 . 1 1 24 24 ALA CA C 24 49.696 49.696 52.189 -2.493 25830 5371 1 11 . 1 1 24 24 ALA CB C 24 18.288 18.288 19.950 -1.662 25830 5372 1 11 . 1 1 24 24 ALA H H 24 7.381 7.381 7.805 -0.424 25830 5373 1 11 . 1 1 25 25 SER N N 25 115.237 115.237 114.071 1.166 25830 5374 1 11 . 1 1 25 25 SER HA H 25 4.922 4.922 4.626 0.296 25830 5375 1 11 . 1 1 25 25 SER C C 25 181.107 181.107 171.636 9.471 25830 5376 1 11 . 1 1 25 25 SER CA C 25 53.033 53.033 56.182 -3.149 25830 5377 1 11 . 1 1 25 25 SER CB C 25 61.549 61.549 65.655 -4.106 25830 5378 1 11 . 1 1 25 25 SER H H 25 8.649 8.649 8.238 0.411 25830 5379 1 11 . 1 1 26 26 PRO HA H 26 4.014 4.014 4.141 -0.127 25830 5380 1 11 . 1 1 26 26 PRO CA C 26 57.292 57.292 61.006 -3.714 25830 5381 1 11 . 1 1 26 26 PRO CB C 26 27.450 27.450 30.795 -3.345 25830 5382 1 11 . 1 1 27 27 PRO HA H 27 4.881 4.881 4.513 0.368 25830 5383 1 11 . 1 1 27 27 PRO CA C 27 58.500 58.500 61.417 -2.917 25830 5384 1 11 . 1 1 27 27 PRO CB C 27 28.489 28.489 30.780 -2.291 25830 5385 1 11 . 1 1 28 28 PRO HA H 28 4.421 4.421 4.197 0.224 25830 5386 1 11 . 1 1 28 28 PRO CA C 28 64.505 64.505 67.079 -2.574 25830 5387 1 11 . 1 1 28 28 PRO CB C 28 26.217 26.217 29.315 -3.098 25830 5388 1 11 . 1 1 29 29 PRO HA H 29 4.477 4.477 4.313 0.164 25830 5389 1 11 . 1 1 29 29 PRO C C 29 177.330 177.330 178.890 -1.560 25830 5390 1 11 . 1 1 29 29 PRO CA C 29 62.883 62.883 65.556 -2.673 25830 5391 1 11 . 1 1 29 29 PRO CB C 29 28.301 28.301 31.002 -2.701 25830 5392 1 11 . 1 1 30 30 CYS N N 30 114.694 114.694 118.077 -3.383 25830 5393 1 11 . 1 1 30 30 CYS HA H 30 4.456 4.456 4.305 0.151 25830 5394 1 11 . 1 1 30 30 CYS C C 30 172.260 172.260 177.111 -4.851 25830 5395 1 11 . 1 1 30 30 CYS CA C 30 55.585 55.585 61.250 -5.665 25830 5396 1 11 . 1 1 30 30 CYS CB C 30 34.602 34.602 25.665 8.937 25830 5397 1 11 . 1 1 30 30 CYS H H 30 7.637 7.637 7.694 -0.057 25830 5398 1 11 . 1 1 31 31 CYS N N 31 116.335 116.335 120.502 -4.167 25830 5399 1 11 . 1 1 31 31 CYS HA H 31 4.607 4.607 4.098 0.509 25830 5400 1 11 . 1 1 31 31 CYS C C 31 174.401 174.401 177.242 -2.841 25830 5401 1 11 . 1 1 31 31 CYS CA C 31 51.858 51.858 63.196 -11.338 25830 5402 1 11 . 1 1 31 31 CYS CB C 31 29.979 29.979 25.700 4.279 25830 5403 1 11 . 1 1 31 31 CYS H H 31 7.083 7.083 8.346 -1.263 25830 5404 1 11 . 1 1 32 32 ALA N N 32 121.738 121.738 121.428 0.310 25830 5405 1 11 . 1 1 32 32 ALA HA H 32 4.070 4.070 3.988 0.082 25830 5406 1 11 . 1 1 32 32 ALA C C 32 177.730 177.730 179.390 -1.660 25830 5407 1 11 . 1 1 32 32 ALA CA C 32 52.557 52.557 55.298 -2.741 25830 5408 1 11 . 1 1 32 32 ALA CB C 32 15.204 15.204 17.964 -2.760 25830 5409 1 11 . 1 1 32 32 ALA H H 32 8.481 8.481 8.087 0.394 25830 5410 1 11 . 1 1 33 33 GLY N N 33 108.715 108.715 106.611 2.104 25830 5411 1 11 . 1 1 33 33 GLY C C 33 172.825 172.825 176.247 -3.422 25830 5412 1 11 . 1 1 33 33 GLY CA C 33 44.748 44.748 47.261 -2.513 25830 5413 1 11 . 1 1 33 33 GLY H H 33 7.683 7.683 7.797 -0.114 25830 5414 1 11 . 1 1 34 34 VAL N N 34 121.079 121.079 121.319 -0.240 25830 5415 1 11 . 1 1 34 34 VAL HA H 34 3.489 3.489 3.732 -0.243 25830 5416 1 11 . 1 1 34 34 VAL C C 34 174.764 174.764 178.455 -3.691 25830 5417 1 11 . 1 1 34 34 VAL CA C 34 63.930 63.930 66.477 -2.547 25830 5418 1 11 . 1 1 34 34 VAL CB C 34 29.037 29.037 31.622 -2.585 25830 5419 1 11 . 1 1 34 34 VAL H H 34 8.085 8.085 7.502 0.583 25830 5420 1 11 . 1 1 35 35 LYS N N 35 117.845 117.845 119.015 -1.170 25830 5421 1 11 . 1 1 35 35 LYS HA H 35 3.814 3.814 4.119 -0.305 25830 5422 1 11 . 1 1 35 35 LYS C C 35 176.677 176.677 179.135 -2.458 25830 5423 1 11 . 1 1 35 35 LYS CA C 35 57.849 57.849 59.097 -1.248 25830 5424 1 11 . 1 1 35 35 LYS CB C 35 29.635 29.635 31.828 -2.193 25830 5425 1 11 . 1 1 35 35 LYS H H 35 8.089 8.089 7.712 0.377 25830 5426 1 11 . 1 1 36 36 LYS N N 36 120.507 120.507 120.114 0.393 25830 5427 1 11 . 1 1 36 36 LYS HA H 36 3.946 3.946 4.067 -0.121 25830 5428 1 11 . 1 1 36 36 LYS C C 36 176.481 176.481 178.065 -1.584 25830 5429 1 11 . 1 1 36 36 LYS CA C 36 56.889 56.889 58.873 -1.984 25830 5430 1 11 . 1 1 36 36 LYS CB C 36 29.999 29.999 32.362 -2.363 25830 5431 1 11 . 1 1 36 36 LYS H H 36 7.940 7.940 8.034 -0.094 25830 5432 1 11 . 1 1 37 37 LEU N N 37 121.929 121.929 119.768 2.161 25830 5433 1 11 . 1 1 37 37 LEU HA H 37 4.012 4.012 3.992 0.020 25830 5434 1 11 . 1 1 37 37 LEU C C 37 175.490 175.490 178.469 -2.979 25830 5435 1 11 . 1 1 37 37 LEU CA C 37 55.567 55.567 58.052 -2.485 25830 5436 1 11 . 1 1 37 37 LEU CB C 37 38.621 38.621 41.707 -3.086 25830 5437 1 11 . 1 1 37 37 LEU H H 37 7.882 7.882 7.438 0.444 25830 5438 1 11 . 1 1 38 38 LEU N N 38 117.061 117.061 118.348 -1.287 25830 5439 1 11 . 1 1 38 38 LEU HA H 38 4.050 4.050 4.007 0.043 25830 5440 1 11 . 1 1 38 38 LEU C C 38 177.275 177.275 178.686 -1.411 25830 5441 1 11 . 1 1 38 38 LEU CA C 38 54.535 54.535 57.682 -3.147 25830 5442 1 11 . 1 1 38 38 LEU CB C 38 38.448 38.448 41.645 -3.197 25830 5443 1 11 . 1 1 38 38 LEU H H 38 7.812 7.812 7.563 0.249 25830 5444 1 11 . 1 1 39 39 ALA N N 39 119.986 119.986 118.507 1.479 25830 5445 1 11 . 1 1 39 39 ALA HA H 39 4.105 4.105 4.298 -0.193 25830 5446 1 11 . 1 1 39 39 ALA C C 39 175.721 175.721 177.763 -2.042 25830 5447 1 11 . 1 1 39 39 ALA CA C 39 50.910 50.910 52.203 -1.293 25830 5448 1 11 . 1 1 39 39 ALA CB C 39 15.545 15.545 18.806 -3.261 25830 5449 1 11 . 1 1 39 39 ALA H H 39 7.914 7.914 7.627 0.287 25830 5450 1 11 . 1 1 40 40 ALA N N 40 118.015 118.015 121.836 -3.821 25830 5451 1 11 . 1 1 40 40 ALA HA H 40 4.266 4.266 4.334 -0.068 25830 5452 1 11 . 1 1 40 40 ALA C C 40 174.416 174.416 177.888 -3.472 25830 5453 1 11 . 1 1 40 40 ALA CA C 40 49.886 49.886 53.502 -3.616 25830 5454 1 11 . 1 1 40 40 ALA CB C 40 16.330 16.330 19.378 -3.048 25830 5455 1 11 . 1 1 40 40 ALA H H 40 7.302 7.302 7.213 0.089 25830 5456 1 11 . 1 1 41 41 ALA N N 41 122.389 122.389 118.533 3.856 25830 5457 1 11 . 1 1 41 41 ALA HA H 41 4.605 4.605 4.285 0.320 25830 5458 1 11 . 1 1 41 41 ALA C C 41 172.709 172.709 177.083 -4.374 25830 5459 1 11 . 1 1 41 41 ALA CA C 41 47.917 47.917 51.517 -3.600 25830 5460 1 11 . 1 1 41 41 ALA CB C 41 15.072 15.072 20.360 -5.287 25830 5461 1 11 . 1 1 41 41 ALA H H 41 7.304 7.304 7.375 -0.071 25830 5462 1 11 . 1 1 42 42 THR N N 42 113.142 113.142 112.835 0.307 25830 5463 1 11 . 1 1 42 42 THR HA H 42 4.422 4.422 4.444 -0.022 25830 5464 1 11 . 1 1 42 42 THR C C 42 172.086 172.086 174.766 -2.680 25830 5465 1 11 . 1 1 42 42 THR CA C 42 59.772 59.772 63.857 -4.085 25830 5466 1 11 . 1 1 42 42 THR CB C 42 66.992 66.992 69.397 -2.405 25830 5467 1 11 . 1 1 42 42 THR H H 42 8.663 8.663 8.581 0.082 25830 5468 1 11 . 1 1 43 43 THR N N 43 111.501 111.501 114.805 -3.304 25830 5469 1 11 . 1 1 43 43 THR HA H 43 4.704 4.704 4.656 0.048 25830 5470 1 11 . 1 1 43 43 THR C C 43 172.283 172.283 175.300 -3.017 25830 5471 1 11 . 1 1 43 43 THR CA C 43 56.869 56.869 60.382 -3.513 25830 5472 1 11 . 1 1 43 43 THR CB C 43 69.211 69.211 71.445 -2.234 25830 5473 1 11 . 1 1 43 43 THR H H 43 7.705 7.705 7.173 0.532 25830 5474 1 11 . 1 1 44 44 THR N N 44 119.157 119.157 116.034 3.123 25830 5475 1 11 . 1 1 44 44 THR HA H 44 3.861 3.861 4.344 -0.483 25830 5476 1 11 . 1 1 44 44 THR CA C 44 66.420 66.420 67.390 -0.970 25830 5477 1 11 . 1 1 44 44 THR CB C 44 63.702 63.702 67.116 -3.414 25830 5478 1 11 . 1 1 44 44 THR H H 44 9.305 9.305 8.533 0.772 25830 5479 1 11 . 1 1 45 45 PRO HA H 45 4.345 4.345 4.785 -0.440 25830 5480 1 11 . 1 1 45 45 PRO C C 45 177.238 177.238 178.298 -1.060 25830 5481 1 11 . 1 1 45 45 PRO CA C 45 63.192 63.192 64.943 -1.751 25830 5482 1 11 . 1 1 45 45 PRO CB C 45 28.232 28.232 31.544 -3.312 25830 5483 1 11 . 1 1 46 46 ASP N N 46 117.412 117.412 120.177 -2.765 25830 5484 1 11 . 1 1 46 46 ASP HA H 46 4.571 4.571 4.454 0.117 25830 5485 1 11 . 1 1 46 46 ASP C C 46 175.358 175.358 177.520 -2.162 25830 5486 1 11 . 1 1 46 46 ASP CA C 46 54.436 54.436 56.768 -2.332 25830 5487 1 11 . 1 1 46 46 ASP CB C 46 37.884 37.884 40.416 -2.532 25830 5488 1 11 . 1 1 46 46 ASP H H 46 7.238 7.238 8.183 -0.945 25830 5489 1 11 . 1 1 47 47 ARG N N 47 122.342 122.342 118.247 4.095 25830 5490 1 11 . 1 1 47 47 ARG HA H 47 3.754 3.754 4.070 -0.316 25830 5491 1 11 . 1 1 47 47 ARG C C 47 176.688 176.688 178.719 -2.031 25830 5492 1 11 . 1 1 47 47 ARG CA C 47 57.351 57.351 58.702 -1.351 25830 5493 1 11 . 1 1 47 47 ARG CB C 47 26.606 26.606 29.646 -3.040 25830 5494 1 11 . 1 1 47 47 ARG H H 47 8.383 8.383 7.504 0.879 25830 5495 1 11 . 1 1 48 48 GLN N N 48 120.813 120.813 118.867 1.946 25830 5496 1 11 . 1 1 48 48 GLN HA H 48 3.650 3.650 4.077 -0.427 25830 5497 1 11 . 1 1 48 48 GLN C C 48 175.354 175.354 177.483 -2.129 25830 5498 1 11 . 1 1 48 48 GLN CA C 48 56.742 56.742 58.071 -1.329 25830 5499 1 11 . 1 1 48 48 GLN CB C 48 25.406 25.406 27.992 -2.586 25830 5500 1 11 . 1 1 48 48 GLN H H 48 8.176 8.176 7.706 0.470 25830 5501 1 11 . 1 1 49 49 ALA N N 49 122.476 122.476 121.356 1.120 25830 5502 1 11 . 1 1 49 49 ALA HA H 49 4.224 4.224 3.970 0.254 25830 5503 1 11 . 1 1 49 49 ALA C C 49 177.581 177.581 179.095 -1.514 25830 5504 1 11 . 1 1 49 49 ALA CA C 49 52.410 52.410 54.731 -2.321 25830 5505 1 11 . 1 1 49 49 ALA CB C 49 15.305 15.305 18.045 -2.740 25830 5506 1 11 . 1 1 49 49 ALA H H 49 8.079 8.079 7.617 0.462 25830 5507 1 11 . 1 1 50 50 ALA N N 50 121.104 121.104 120.145 0.959 25830 5508 1 11 . 1 1 50 50 ALA HA H 50 3.686 3.686 3.960 -0.274 25830 5509 1 11 . 1 1 50 50 ALA C C 50 175.478 175.478 178.567 -3.089 25830 5510 1 11 . 1 1 50 50 ALA CA C 50 53.344 53.344 55.141 -1.797 25830 5511 1 11 . 1 1 50 50 ALA CB C 50 14.032 14.032 18.031 -3.999 25830 5512 1 11 . 1 1 50 50 ALA H H 50 8.494 8.494 7.607 0.887 25830 5513 1 11 . 1 1 51 51 CYS N N 51 117.063 117.063 117.808 -0.745 25830 5514 1 11 . 1 1 51 51 CYS HA H 51 4.091 4.091 4.142 -0.051 25830 5515 1 11 . 1 1 51 51 CYS C C 51 173.692 173.692 176.703 -3.011 25830 5516 1 11 . 1 1 51 51 CYS CA C 51 57.660 57.660 60.887 -3.227 25830 5517 1 11 . 1 1 51 51 CYS CB C 51 34.278 34.278 25.411 8.867 25830 5518 1 11 . 1 1 51 51 CYS H H 51 7.466 7.466 7.909 -0.443 25830 5519 1 11 . 1 1 52 52 ASN N N 52 120.867 120.867 118.249 2.618 25830 5520 1 11 . 1 1 52 52 ASN HA H 52 4.403 4.403 4.502 -0.099 25830 5521 1 11 . 1 1 52 52 ASN C C 52 176.290 176.290 176.996 -0.706 25830 5522 1 11 . 1 1 52 52 ASN CA C 52 54.177 54.177 56.200 -2.023 25830 5523 1 11 . 1 1 52 52 ASN CB C 52 36.302 36.302 38.279 -1.977 25830 5524 1 11 . 1 1 52 52 ASN H H 52 8.164 8.164 7.589 0.575 25830 5525 1 11 . 1 1 53 53 CYS N N 53 119.542 119.542 119.162 0.380 25830 5526 1 11 . 1 1 53 53 CYS HA H 53 4.543 4.543 4.236 0.307 25830 5527 1 11 . 1 1 53 53 CYS C C 53 175.294 175.294 177.060 -1.766 25830 5528 1 11 . 1 1 53 53 CYS CA C 53 53.637 53.637 62.398 -8.761 25830 5529 1 11 . 1 1 53 53 CYS CB C 53 34.302 34.302 26.093 8.209 25830 5530 1 11 . 1 1 53 53 CYS H H 53 8.974 8.974 7.915 1.059 25830 5531 1 11 . 1 1 54 54 LEU N N 54 124.510 124.510 119.020 5.490 25830 5532 1 11 . 1 1 54 54 LEU HA H 54 3.964 3.964 3.950 0.014 25830 5533 1 11 . 1 1 54 54 LEU C C 54 175.082 175.082 178.852 -3.770 25830 5534 1 11 . 1 1 54 54 LEU CA C 54 55.725 55.725 58.248 -2.523 25830 5535 1 11 . 1 1 54 54 LEU CB C 54 39.035 39.035 41.303 -2.268 25830 5536 1 11 . 1 1 54 54 LEU H H 54 8.794 8.794 8.087 0.707 25830 5537 1 11 . 1 1 55 55 LYS N N 55 120.615 120.615 118.646 1.969 25830 5538 1 11 . 1 1 55 55 LYS HA H 55 3.929 3.929 4.039 -0.110 25830 5539 1 11 . 1 1 55 55 LYS C C 55 176.860 176.860 178.595 -1.735 25830 5540 1 11 . 1 1 55 55 LYS CA C 55 57.089 57.089 59.241 -2.152 25830 5541 1 11 . 1 1 55 55 LYS CB C 55 30.420 30.420 32.174 -1.754 25830 5542 1 11 . 1 1 55 55 LYS H H 55 8.119 8.119 7.503 0.616 25830 5543 1 11 . 1 1 56 56 SER N N 56 113.653 113.653 114.833 -1.180 25830 5544 1 11 . 1 1 56 56 SER HA H 56 4.202 4.202 4.226 -0.024 25830 5545 1 11 . 1 1 56 56 SER C C 56 175.009 175.009 176.424 -1.415 25830 5546 1 11 . 1 1 56 56 SER CA C 56 58.397 58.397 60.949 -2.552 25830 5547 1 11 . 1 1 56 56 SER CB C 56 60.063 60.063 62.936 -2.873 25830 5548 1 11 . 1 1 56 56 SER H H 56 7.746 7.746 7.537 0.208 25830 5549 1 11 . 1 1 57 57 ALA N N 57 125.184 125.184 123.027 2.157 25830 5550 1 11 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.043 0.030 25830 5551 1 11 . 1 1 57 57 ALA C C 57 177.735 177.735 178.816 -1.081 25830 5552 1 11 . 1 1 57 57 ALA CA C 57 52.222 52.222 54.916 -2.695 25830 5553 1 11 . 1 1 57 57 ALA CB C 57 14.710 14.710 18.245 -3.535 25830 5554 1 11 . 1 1 57 57 ALA H H 57 8.370 8.370 7.689 0.681 25830 5555 1 11 . 1 1 58 58 ALA N N 58 119.288 119.288 120.276 -0.988 25830 5556 1 11 . 1 1 58 58 ALA HA H 58 3.873 3.873 4.105 -0.232 25830 5557 1 11 . 1 1 58 58 ALA C C 58 176.201 176.201 179.002 -2.801 25830 5558 1 11 . 1 1 58 58 ALA CA C 58 52.154 52.154 54.451 -2.297 25830 5559 1 11 . 1 1 58 58 ALA CB C 58 13.944 13.944 18.252 -4.308 25830 5560 1 11 . 1 1 58 58 ALA H H 58 8.355 8.355 7.574 0.781 25830 5561 1 11 . 1 1 59 59 GLY N N 59 101.896 101.896 103.594 -1.698 25830 5562 1 11 . 1 1 59 59 GLY C C 59 171.619 171.619 174.607 -2.988 25830 5563 1 11 . 1 1 59 59 GLY CA C 59 43.245 43.245 45.612 -2.367 25830 5564 1 11 . 1 1 59 59 GLY H H 59 7.613 7.613 7.788 -0.175 25830 5565 1 11 . 1 1 60 60 SER N N 60 114.297 114.297 116.186 -1.889 25830 5566 1 11 . 1 1 60 60 SER HA H 60 4.548 4.548 4.521 0.027 25830 5567 1 11 . 1 1 60 60 SER C C 60 171.232 171.232 174.862 -3.630 25830 5568 1 11 . 1 1 60 60 SER CA C 60 55.817 55.817 58.370 -2.553 25830 5569 1 11 . 1 1 60 60 SER CB C 60 61.793 61.793 65.262 -3.469 25830 5570 1 11 . 1 1 60 60 SER H H 60 7.570 7.570 7.971 -0.401 25830 5571 1 11 . 1 1 61 61 ILE N N 61 125.096 125.096 125.640 -0.544 25830 5572 1 11 . 1 1 61 61 ILE HA H 61 4.272 4.272 4.061 0.211 25830 5573 1 11 . 1 1 61 61 ILE C C 61 170.966 170.966 174.562 -3.596 25830 5574 1 11 . 1 1 61 61 ILE CA C 61 56.364 56.364 60.692 -4.328 25830 5575 1 11 . 1 1 61 61 ILE CB C 61 36.307 36.307 37.574 -1.267 25830 5576 1 11 . 1 1 61 61 ILE H H 61 7.222 7.222 8.166 -0.944 25830 5577 1 11 . 1 1 62 62 PRO HA H 62 4.317 4.317 4.341 -0.024 25830 5578 1 11 . 1 1 62 62 PRO C C 62 173.935 173.935 176.182 -2.247 25830 5579 1 11 . 1 1 62 62 PRO CA C 62 60.634 60.634 63.168 -2.534 25830 5580 1 11 . 1 1 62 62 PRO CB C 62 29.399 29.399 31.825 -2.425 25830 5581 1 11 . 1 1 63 63 LYS N N 63 115.837 115.837 117.397 -1.560 25830 5582 1 11 . 1 1 63 63 LYS HA H 63 3.916 3.916 3.834 0.082 25830 5583 1 11 . 1 1 63 63 LYS C C 63 172.800 172.800 176.018 -3.218 25830 5584 1 11 . 1 1 63 63 LYS CA C 63 53.303 53.303 56.804 -3.501 25830 5585 1 11 . 1 1 63 63 LYS CB C 63 26.973 26.973 29.920 -2.947 25830 5586 1 11 . 1 1 63 63 LYS H H 63 8.584 8.584 8.492 0.092 25830 5587 1 11 . 1 1 64 64 LEU N N 64 118.672 118.672 120.002 -1.330 25830 5588 1 11 . 1 1 64 64 LEU HA H 64 3.625 3.625 4.161 -0.536 25830 5589 1 11 . 1 1 64 64 LEU C C 64 173.690 173.690 175.773 -2.083 25830 5590 1 11 . 1 1 64 64 LEU CA C 64 53.929 53.929 55.522 -1.593 25830 5591 1 11 . 1 1 64 64 LEU CB C 64 39.878 39.878 42.416 -2.538 25830 5592 1 11 . 1 1 64 64 LEU H H 64 7.116 7.116 7.467 -0.351 25830 5593 1 11 . 1 1 65 65 ASN N N 65 125.562 125.562 124.743 0.819 25830 5594 1 11 . 1 1 65 65 ASN HA H 65 4.879 4.879 4.926 -0.047 25830 5595 1 11 . 1 1 65 65 ASN C C 65 174.338 174.338 176.060 -1.722 25830 5596 1 11 . 1 1 65 65 ASN CA C 65 48.862 48.862 51.654 -2.792 25830 5597 1 11 . 1 1 65 65 ASN CB C 65 34.238 34.238 38.850 -4.612 25830 5598 1 11 . 1 1 65 65 ASN H H 65 9.348 9.348 8.211 1.137 25830 5599 1 11 . 1 1 66 66 THR N N 66 118.448 118.448 118.935 -0.487 25830 5600 1 11 . 1 1 66 66 THR HA H 66 3.840 3.840 3.909 -0.069 25830 5601 1 11 . 1 1 66 66 THR C C 66 174.820 174.820 175.887 -1.067 25830 5602 1 11 . 1 1 66 66 THR CA C 66 62.576 62.576 65.939 -3.363 25830 5603 1 11 . 1 1 66 66 THR CB C 66 65.348 65.348 68.804 -3.456 25830 5604 1 11 . 1 1 66 66 THR H H 66 8.735 8.735 8.296 0.439 25830 5605 1 11 . 1 1 67 67 ASN N N 67 121.545 121.545 118.377 3.168 25830 5606 1 11 . 1 1 67 67 ASN HA H 67 4.460 4.460 4.477 -0.017 25830 5607 1 11 . 1 1 67 67 ASN C C 67 174.825 174.825 177.816 -2.991 25830 5608 1 11 . 1 1 67 67 ASN CA C 67 53.781 53.781 55.827 -2.046 25830 5609 1 11 . 1 1 67 67 ASN CB C 67 35.495 35.495 38.546 -3.051 25830 5610 1 11 . 1 1 67 67 ASN H H 67 8.229 8.229 8.348 -0.119 25830 5611 1 11 . 1 1 68 68 ASN N N 68 122.399 122.399 118.261 4.138 25830 5612 1 11 . 1 1 68 68 ASN HA H 68 4.463 4.463 4.470 -0.007 25830 5613 1 11 . 1 1 68 68 ASN C C 68 175.357 175.357 176.238 -0.881 25830 5614 1 11 . 1 1 68 68 ASN CA C 68 52.009 52.009 55.451 -3.442 25830 5615 1 11 . 1 1 68 68 ASN CB C 68 32.853 32.853 37.952 -5.099 25830 5616 1 11 . 1 1 68 68 ASN H H 68 7.153 7.153 8.110 -0.957 25830 5617 1 11 . 1 1 69 69 ALA N N 69 123.588 123.588 119.344 4.244 25830 5618 1 11 . 1 1 69 69 ALA HA H 69 3.930 3.930 4.088 -0.158 25830 5619 1 11 . 1 1 69 69 ALA C C 69 175.919 175.919 178.351 -2.432 25830 5620 1 11 . 1 1 69 69 ALA CA C 69 53.087 53.087 54.131 -1.044 25830 5621 1 11 . 1 1 69 69 ALA CB C 69 14.867 14.867 18.412 -3.545 25830 5622 1 11 . 1 1 69 69 ALA H H 69 7.942 7.942 7.338 0.604 25830 5623 1 11 . 1 1 70 70 ALA N N 70 117.736 117.736 119.635 -1.899 25830 5624 1 11 . 1 1 70 70 ALA HA H 70 4.250 4.250 4.301 -0.051 25830 5625 1 11 . 1 1 70 70 ALA C C 70 176.704 176.704 178.891 -2.187 25830 5626 1 11 . 1 1 70 70 ALA CA C 70 51.706 51.706 54.294 -2.588 25830 5627 1 11 . 1 1 70 70 ALA CB C 70 15.507 15.507 19.278 -3.771 25830 5628 1 11 . 1 1 70 70 ALA H H 70 7.574 7.574 7.456 0.118 25830 5629 1 11 . 1 1 71 71 ALA N N 71 117.858 117.858 120.753 -2.895 25830 5630 1 11 . 1 1 71 71 ALA HA H 71 4.321 4.321 4.405 -0.084 25830 5631 1 11 . 1 1 71 71 ALA C C 71 175.190 175.190 179.290 -4.100 25830 5632 1 11 . 1 1 71 71 ALA CA C 71 50.142 50.142 53.746 -3.604 25830 5633 1 11 . 1 1 71 71 ALA CB C 71 16.908 16.908 18.381 -1.473 25830 5634 1 11 . 1 1 71 71 ALA H H 71 7.676 7.676 7.427 0.249 25830 5635 1 11 . 1 1 72 72 LEU N N 72 117.566 117.566 122.290 -4.724 25830 5636 1 11 . 1 1 72 72 LEU HA H 72 4.097 4.097 4.240 -0.143 25830 5637 1 11 . 1 1 72 72 LEU C C 72 170.406 170.406 175.425 -5.019 25830 5638 1 11 . 1 1 72 72 LEU CA C 72 57.688 57.688 59.627 -1.939 25830 5639 1 11 . 1 1 72 72 LEU CB C 72 36.632 36.632 39.711 -3.079 25830 5640 1 11 . 1 1 72 72 LEU H H 72 7.494 7.494 7.767 -0.273 25830 5641 1 11 . 1 1 73 73 PRO HA H 73 3.793 3.793 4.320 -0.527 25830 5642 1 11 . 1 1 73 73 PRO C C 73 176.416 176.416 179.247 -2.831 25830 5643 1 11 . 1 1 73 73 PRO CA C 73 64.431 64.431 65.785 -1.354 25830 5644 1 11 . 1 1 73 73 PRO CB C 73 27.928 27.928 30.848 -2.920 25830 5645 1 11 . 1 1 74 74 GLY N N 74 106.170 106.170 107.578 -1.408 25830 5646 1 11 . 1 1 74 74 GLY C C 74 176.081 176.081 176.389 -0.308 25830 5647 1 11 . 1 1 74 74 GLY CA C 74 44.577 44.577 47.099 -2.522 25830 5648 1 11 . 1 1 74 74 GLY H H 74 8.374 8.374 7.850 0.524 25830 5649 1 11 . 1 1 75 75 LYS N N 75 121.379 121.379 120.078 1.301 25830 5650 1 11 . 1 1 75 75 LYS HA H 75 4.162 4.162 4.070 0.092 25830 5651 1 11 . 1 1 75 75 LYS C C 75 175.735 175.735 178.175 -2.440 25830 5652 1 11 . 1 1 75 75 LYS CA C 75 56.053 56.053 58.688 -2.635 25830 5653 1 11 . 1 1 75 75 LYS CB C 75 30.087 30.087 31.800 -1.713 25830 5654 1 11 . 1 1 75 75 LYS H H 75 8.417 8.417 8.383 0.034 25830 5655 1 11 . 1 1 76 76 CYS N N 76 115.021 115.021 114.753 0.268 25830 5656 1 11 . 1 1 76 76 CYS HA H 76 4.895 4.895 4.562 0.333 25830 5657 1 11 . 1 1 76 76 CYS C C 76 172.300 172.300 175.990 -3.690 25830 5658 1 11 . 1 1 76 76 CYS CA C 76 49.730 49.730 59.391 -9.661 25830 5659 1 11 . 1 1 76 76 CYS CB C 76 32.817 32.817 27.368 5.449 25830 5660 1 11 . 1 1 76 76 CYS H H 76 7.756 7.756 8.036 -0.280 25830 5661 1 11 . 1 1 77 77 GLY N N 77 109.352 109.352 107.402 1.950 25830 5662 1 11 . 1 1 77 77 GLY C C 77 171.753 171.753 173.916 -2.163 25830 5663 1 11 . 1 1 77 77 GLY CA C 77 43.794 43.794 45.144 -1.350 25830 5664 1 11 . 1 1 77 77 GLY H H 77 7.894 7.894 8.147 -0.253 25830 5665 1 11 . 1 1 78 78 VAL N N 78 115.528 115.528 117.281 -1.753 25830 5666 1 11 . 1 1 78 78 VAL HA H 78 4.491 4.491 4.467 0.024 25830 5667 1 11 . 1 1 78 78 VAL C C 78 171.256 171.256 174.686 -3.430 25830 5668 1 11 . 1 1 78 78 VAL CA C 78 56.800 56.800 61.151 -4.351 25830 5669 1 11 . 1 1 78 78 VAL CB C 78 31.741 31.741 32.808 -1.067 25830 5670 1 11 . 1 1 78 78 VAL H H 78 8.137 8.137 7.421 0.716 25830 5671 1 11 . 1 1 79 79 SER N N 79 116.418 116.418 120.921 -4.503 25830 5672 1 11 . 1 1 79 79 SER HA H 79 4.583 4.583 4.640 -0.057 25830 5673 1 11 . 1 1 79 79 SER C C 79 170.681 170.681 174.421 -3.740 25830 5674 1 11 . 1 1 79 79 SER CA C 79 54.258 54.258 57.169 -2.911 25830 5675 1 11 . 1 1 79 79 SER CB C 79 61.468 61.468 64.191 -2.723 25830 5676 1 11 . 1 1 79 79 SER H H 79 8.124 8.124 8.252 -0.128 25830 5677 1 11 . 1 1 80 80 ILE N N 80 120.257 120.257 123.648 -3.391 25830 5678 1 11 . 1 1 80 80 ILE HA H 80 4.639 4.639 4.497 0.142 25830 5679 1 11 . 1 1 80 80 ILE C C 80 172.830 172.830 174.498 -1.668 25830 5680 1 11 . 1 1 80 80 ILE CA C 80 55.333 55.333 57.215 -1.882 25830 5681 1 11 . 1 1 80 80 ILE CB C 80 38.093 38.093 37.494 0.599 25830 5682 1 11 . 1 1 80 80 ILE H H 80 8.089 8.089 8.211 -0.122 25830 5683 1 11 . 1 1 81 81 PRO HA H 81 4.547 4.547 4.323 0.224 25830 5684 1 11 . 1 1 81 81 PRO C C 81 171.325 171.325 175.885 -4.560 25830 5685 1 11 . 1 1 81 81 PRO CA C 81 60.903 60.903 64.142 -3.239 25830 5686 1 11 . 1 1 81 81 PRO CB C 81 27.693 27.693 32.386 -4.693 25830 5687 1 11 . 1 1 82 82 TYR N N 82 115.259 115.259 114.756 0.503 25830 5688 1 11 . 1 1 82 82 TYR HA H 82 4.732 4.732 4.812 -0.080 25830 5689 1 11 . 1 1 82 82 TYR C C 82 170.187 170.187 173.579 -3.392 25830 5690 1 11 . 1 1 82 82 TYR CA C 82 51.930 51.930 55.708 -3.778 25830 5691 1 11 . 1 1 82 82 TYR CB C 82 37.275 37.275 39.430 -2.155 25830 5692 1 11 . 1 1 82 82 TYR H H 82 6.642 6.642 6.811 -0.169 25830 5693 1 11 . 1 1 83 83 LYS N N 83 116.992 116.992 119.295 -2.303 25830 5694 1 11 . 1 1 83 83 LYS HA H 83 4.464 4.464 4.617 -0.153 25830 5695 1 11 . 1 1 83 83 LYS C C 83 174.342 174.342 175.922 -1.580 25830 5696 1 11 . 1 1 83 83 LYS CA C 83 51.653 51.653 55.261 -3.608 25830 5697 1 11 . 1 1 83 83 LYS CB C 83 31.513 31.513 35.017 -3.504 25830 5698 1 11 . 1 1 83 83 LYS H H 83 8.301 8.301 8.592 -0.291 25830 5699 1 11 . 1 1 84 84 ILE N N 84 126.906 126.906 119.994 6.912 25830 5700 1 11 . 1 1 84 84 ILE HA H 84 3.913 3.913 4.397 -0.484 25830 5701 1 11 . 1 1 84 84 ILE C C 84 170.945 170.945 174.821 -3.876 25830 5702 1 11 . 1 1 84 84 ILE CA C 84 59.761 59.761 60.718 -0.956 25830 5703 1 11 . 1 1 84 84 ILE CB C 84 33.534 33.534 37.584 -4.050 25830 5704 1 11 . 1 1 84 84 ILE H H 84 9.304 9.304 8.379 0.925 25830 5705 1 11 . 1 1 85 85 SER N N 85 120.246 120.246 119.908 0.338 25830 5706 1 11 . 1 1 85 85 SER HA H 85 4.563 4.563 4.918 -0.355 25830 5707 1 11 . 1 1 85 85 SER C C 85 171.695 171.695 175.142 -3.447 25830 5708 1 11 . 1 1 85 85 SER CA C 85 53.394 53.394 56.765 -3.371 25830 5709 1 11 . 1 1 85 85 SER CB C 85 61.638 61.638 64.950 -3.312 25830 5710 1 11 . 1 1 85 85 SER H H 85 7.256 7.256 8.104 -0.848 25830 5711 1 11 . 1 1 86 86 THR N N 86 115.458 115.458 115.901 -0.443 25830 5712 1 11 . 1 1 86 86 THR HA H 86 4.147 4.147 4.220 -0.073 25830 5713 1 11 . 1 1 86 86 THR C C 86 172.663 172.663 176.013 -3.350 25830 5714 1 11 . 1 1 86 86 THR CA C 86 61.527 61.527 64.483 -2.956 25830 5715 1 11 . 1 1 86 86 THR CB C 86 65.858 65.858 68.912 -3.054 25830 5716 1 11 . 1 1 86 86 THR H H 86 8.819 8.819 8.649 0.170 25830 5717 1 11 . 1 1 87 87 SER N N 87 114.029 114.029 116.320 -2.291 25830 5718 1 11 . 1 1 87 87 SER HA H 87 4.524 4.524 4.468 0.056 25830 5719 1 11 . 1 1 87 87 SER C C 87 172.010 172.010 174.974 -2.964 25830 5720 1 11 . 1 1 87 87 SER CA C 87 55.408 55.408 58.879 -3.471 25830 5721 1 11 . 1 1 87 87 SER CB C 87 61.144 61.144 63.446 -2.302 25830 5722 1 11 . 1 1 87 87 SER H H 87 8.239 8.239 8.009 0.230 25830 5723 1 11 . 1 1 88 88 THR N N 88 120.831 120.831 119.915 0.916 25830 5724 1 11 . 1 1 88 88 THR HA H 88 3.808 3.808 4.258 -0.450 25830 5725 1 11 . 1 1 88 88 THR C C 88 181.273 181.273 173.858 7.415 25830 5726 1 11 . 1 1 88 88 THR CA C 88 61.409 61.409 63.568 -2.159 25830 5727 1 11 . 1 1 88 88 THR CB C 88 67.556 67.556 69.494 -1.938 25830 5728 1 11 . 1 1 88 88 THR H H 88 7.142 7.142 7.284 -0.142 25830 5729 1 11 . 1 1 89 89 ASN N N 89 124.818 124.818 126.154 -1.336 25830 5730 1 11 . 1 1 89 89 ASN HA H 89 4.819 4.819 4.745 0.074 25830 5731 1 11 . 1 1 89 89 ASN C C 89 173.325 173.325 175.041 -1.716 25830 5732 1 11 . 1 1 89 89 ASN CA C 89 48.483 48.483 52.715 -4.232 25830 5733 1 11 . 1 1 89 89 ASN CB C 89 34.958 34.958 38.858 -3.900 25830 5734 1 11 . 1 1 89 89 ASN H H 89 8.754 8.754 8.777 -0.023 25830 5735 1 11 . 1 1 90 90 CYS N N 90 123.361 123.361 123.403 -0.042 25830 5736 1 11 . 1 1 90 90 CYS HA H 90 4.174 4.174 4.112 0.062 25830 5737 1 11 . 1 1 90 90 CYS C C 90 172.573 172.573 176.128 -3.555 25830 5738 1 11 . 1 1 90 90 CYS CA C 90 54.158 54.158 60.733 -6.575 25830 5739 1 11 . 1 1 90 90 CYS CB C 90 36.687 36.687 26.235 10.452 25830 5740 1 11 . 1 1 90 90 CYS H H 90 8.790 8.790 8.427 0.363 25830 5741 1 11 . 1 1 91 91 ASN N N 91 115.199 115.199 116.337 -1.138 25830 5742 1 11 . 1 1 91 91 ASN HA H 91 4.578 4.578 4.480 0.098 25830 5743 1 11 . 1 1 91 91 ASN C C 91 173.584 173.584 176.090 -2.506 25830 5744 1 11 . 1 1 91 91 ASN CA C 91 52.264 52.264 55.077 -2.813 25830 5745 1 11 . 1 1 91 91 ASN CB C 91 35.690 35.690 38.433 -2.743 25830 5746 1 11 . 1 1 91 91 ASN H H 91 8.320 8.320 8.611 -0.291 25830 5747 1 11 . 1 1 92 92 THR N N 92 107.497 107.497 112.324 -4.827 25830 5748 1 11 . 1 1 92 92 THR HA H 92 4.388 4.388 4.316 0.072 25830 5749 1 11 . 1 1 92 92 THR C C 92 171.702 171.702 175.236 -3.534 25830 5750 1 11 . 1 1 92 92 THR CA C 92 58.280 58.280 62.251 -3.971 25830 5751 1 11 . 1 1 92 92 THR CB C 92 66.107 66.107 68.859 -2.752 25830 5752 1 11 . 1 1 92 92 THR H H 92 7.338 7.338 7.652 -0.314 25830 5753 1 11 . 1 1 93 93 VAL N N 93 123.151 123.151 123.015 0.136 25830 5754 1 11 . 1 1 93 93 VAL HA H 93 3.667 3.667 4.032 -0.365 25830 5755 1 11 . 1 1 93 93 VAL C C 93 172.207 172.207 175.931 -3.724 25830 5756 1 11 . 1 1 93 93 VAL CA C 93 59.846 59.846 62.354 -2.508 25830 5757 1 11 . 1 1 93 93 VAL CB C 93 29.999 29.999 32.638 -2.639 25830 5758 1 11 . 1 1 93 93 VAL H H 93 6.806 6.806 7.271 -0.465 25830 5759 1 11 . 1 1 94 94 ARG N N 94 127.129 127.129 126.646 0.483 25830 5760 1 11 . 1 1 94 94 ARG HA H 94 4.339 4.339 4.279 0.060 25830 5761 1 11 . 1 1 94 94 ARG C C 94 171.859 171.859 176.168 -4.309 25830 5762 1 11 . 1 1 94 94 ARG CA C 94 52.395 52.395 56.140 -3.745 25830 5763 1 11 . 1 1 94 94 ARG CB C 94 26.973 26.973 29.412 -2.439 25830 5764 1 11 . 1 1 94 94 ARG H H 94 8.201 8.201 8.571 -0.370 25830 5765 1 12 . 1 1 2 2 LEU N N 2 123.438 123.438 122.303 1.135 25830 5766 1 12 . 1 1 2 2 LEU HA H 2 4.344 4.344 4.617 -0.273 25830 5767 1 12 . 1 1 2 2 LEU C C 2 172.388 172.388 175.924 -3.536 25830 5768 1 12 . 1 1 2 2 LEU CA C 2 52.560 52.560 55.111 -2.551 25830 5769 1 12 . 1 1 2 2 LEU CB C 2 40.603 40.603 42.246 -1.643 25830 5770 1 12 . 1 1 2 2 LEU H H 2 8.368 8.368 8.020 0.348 25830 5771 1 12 . 1 1 3 3 SER N N 3 119.868 119.868 119.438 0.430 25830 5772 1 12 . 1 1 3 3 SER HA H 3 4.748 4.748 4.625 0.123 25830 5773 1 12 . 1 1 3 3 SER C C 3 173.163 173.163 175.721 -2.558 25830 5774 1 12 . 1 1 3 3 SER CA C 3 53.523 53.523 57.246 -3.723 25830 5775 1 12 . 1 1 3 3 SER CB C 3 62.412 62.412 65.074 -2.662 25830 5776 1 12 . 1 1 3 3 SER H H 3 8.550 8.550 8.242 0.308 25830 5777 1 12 . 1 1 4 4 CYS N N 4 120.408 120.408 126.727 -6.319 25830 5778 1 12 . 1 1 4 4 CYS HA H 4 4.586 4.586 4.301 0.285 25830 5779 1 12 . 1 1 4 4 CYS C C 4 175.067 175.067 177.188 -2.121 25830 5780 1 12 . 1 1 4 4 CYS CA C 4 52.166 52.166 60.705 -8.539 25830 5781 1 12 . 1 1 4 4 CYS CB C 4 30.372 30.372 26.700 3.672 25830 5782 1 12 . 1 1 4 4 CYS H H 4 9.222 9.222 8.987 0.235 25830 5783 1 12 . 1 1 5 5 GLY N N 5 110.663 110.663 107.398 3.265 25830 5784 1 12 . 1 1 5 5 GLY C C 5 174.023 174.023 175.139 -1.116 25830 5785 1 12 . 1 1 5 5 GLY CA C 5 44.577 44.577 47.452 -2.875 25830 5786 1 12 . 1 1 5 5 GLY H H 5 8.721 8.721 8.132 0.589 25830 5787 1 12 . 1 1 6 6 THR N N 6 118.884 118.884 116.439 2.445 25830 5788 1 12 . 1 1 6 6 THR HA H 6 4.031 4.031 4.418 -0.387 25830 5789 1 12 . 1 1 6 6 THR C C 6 172.782 172.782 175.940 -3.158 25830 5790 1 12 . 1 1 6 6 THR CA C 6 62.801 62.801 65.002 -2.201 25830 5791 1 12 . 1 1 6 6 THR CB C 6 65.896 65.896 69.499 -3.603 25830 5792 1 12 . 1 1 6 6 THR H H 6 7.676 7.676 7.687 -0.011 25830 5793 1 12 . 1 1 7 7 VAL N N 7 120.789 120.789 123.143 -2.354 25830 5794 1 12 . 1 1 7 7 VAL HA H 7 3.607 3.607 3.833 -0.226 25830 5795 1 12 . 1 1 7 7 VAL C C 7 174.356 174.356 177.761 -3.405 25830 5796 1 12 . 1 1 7 7 VAL CA C 7 63.774 63.774 66.429 -2.655 25830 5797 1 12 . 1 1 7 7 VAL CB C 7 28.610 28.610 31.599 -2.989 25830 5798 1 12 . 1 1 7 7 VAL H H 7 7.280 7.280 7.306 -0.026 25830 5799 1 12 . 1 1 8 8 SER N N 8 114.047 114.047 114.291 -0.244 25830 5800 1 12 . 1 1 8 8 SER HA H 8 3.858 3.858 4.137 -0.279 25830 5801 1 12 . 1 1 8 8 SER C C 8 173.948 173.948 175.916 -1.968 25830 5802 1 12 . 1 1 8 8 SER CA C 8 59.791 59.791 60.778 -0.987 25830 5803 1 12 . 1 1 8 8 SER CB C 8 59.242 59.242 63.050 -3.808 25830 5804 1 12 . 1 1 8 8 SER H H 8 8.501 8.501 8.155 0.346 25830 5805 1 12 . 1 1 9 9 ALA N N 9 123.669 123.669 122.696 0.973 25830 5806 1 12 . 1 1 9 9 ALA HA H 9 4.165 4.165 4.139 0.026 25830 5807 1 12 . 1 1 9 9 ALA C C 9 177.740 177.740 178.542 -0.802 25830 5808 1 12 . 1 1 9 9 ALA CA C 9 52.218 52.218 54.666 -2.448 25830 5809 1 12 . 1 1 9 9 ALA CB C 9 15.348 15.348 18.449 -3.101 25830 5810 1 12 . 1 1 9 9 ALA H H 9 7.685 7.685 7.574 0.111 25830 5811 1 12 . 1 1 10 10 ASP N N 10 118.653 118.653 117.157 1.496 25830 5812 1 12 . 1 1 10 10 ASP HA H 10 4.414 4.414 4.437 -0.023 25830 5813 1 12 . 1 1 10 10 ASP C C 10 173.327 173.327 177.509 -4.182 25830 5814 1 12 . 1 1 10 10 ASP CA C 10 53.357 53.357 57.139 -3.782 25830 5815 1 12 . 1 1 10 10 ASP CB C 10 35.579 35.579 40.972 -5.393 25830 5816 1 12 . 1 1 10 10 ASP H H 10 8.161 8.161 7.708 0.453 25830 5817 1 12 . 1 1 11 11 LEU N N 11 115.104 115.104 120.351 -5.247 25830 5818 1 12 . 1 1 11 11 LEU HA H 11 4.183 4.183 4.266 -0.083 25830 5819 1 12 . 1 1 11 11 LEU C C 11 175.206 175.206 177.232 -2.026 25830 5820 1 12 . 1 1 11 11 LEU CA C 11 51.360 51.360 56.039 -4.679 25830 5821 1 12 . 1 1 11 11 LEU CB C 11 40.185 40.185 41.786 -1.601 25830 5822 1 12 . 1 1 11 11 LEU H H 11 7.731 7.731 7.230 0.501 25830 5823 1 12 . 1 1 12 12 ALA N N 12 124.133 124.133 123.265 0.868 25830 5824 1 12 . 1 1 12 12 ALA HA H 12 4.309 4.309 4.093 0.216 25830 5825 1 12 . 1 1 12 12 ALA C C 12 174.540 174.540 177.358 -2.818 25830 5826 1 12 . 1 1 12 12 ALA CA C 12 54.075 54.075 56.665 -2.590 25830 5827 1 12 . 1 1 12 12 ALA CB C 12 13.256 13.256 16.210 -2.954 25830 5828 1 12 . 1 1 12 12 ALA H H 12 7.481 7.481 7.881 -0.400 25830 5829 1 12 . 1 1 13 13 PRO HA H 13 4.674 4.674 4.483 0.191 25830 5830 1 12 . 1 1 13 13 PRO C C 13 174.824 174.824 176.626 -1.802 25830 5831 1 12 . 1 1 13 13 PRO CA C 13 61.982 61.982 64.547 -2.565 25830 5832 1 12 . 1 1 13 13 PRO CB C 13 28.804 28.804 31.222 -2.418 25830 5833 1 12 . 1 1 14 14 CYS N N 14 114.225 114.225 115.868 -1.643 25830 5834 1 12 . 1 1 14 14 CYS HA H 14 4.722 4.722 4.769 -0.047 25830 5835 1 12 . 1 1 14 14 CYS C C 14 172.376 172.376 176.527 -4.151 25830 5836 1 12 . 1 1 14 14 CYS CA C 14 51.481 51.481 59.329 -7.848 25830 5837 1 12 . 1 1 14 14 CYS CB C 14 39.508 39.508 27.394 12.114 25830 5838 1 12 . 1 1 14 14 CYS H H 14 8.938 8.938 7.665 1.273 25830 5839 1 12 . 1 1 15 15 VAL N N 15 122.488 122.488 122.726 -0.238 25830 5840 1 12 . 1 1 15 15 VAL HA H 15 3.350 3.350 3.554 -0.204 25830 5841 1 12 . 1 1 15 15 VAL C C 15 173.644 173.644 177.543 -3.899 25830 5842 1 12 . 1 1 15 15 VAL CA C 15 66.608 66.608 67.371 -0.763 25830 5843 1 12 . 1 1 15 15 VAL CB C 15 28.692 28.692 31.670 -2.978 25830 5844 1 12 . 1 1 15 15 VAL H H 15 7.767 7.767 7.682 0.085 25830 5845 1 12 . 1 1 16 16 THR N N 16 112.169 112.169 114.193 -2.024 25830 5846 1 12 . 1 1 16 16 THR HA H 16 4.012 4.012 3.934 0.078 25830 5847 1 12 . 1 1 16 16 THR C C 16 175.021 175.021 176.310 -1.289 25830 5848 1 12 . 1 1 16 16 THR CA C 16 63.879 63.879 66.257 -2.378 25830 5849 1 12 . 1 1 16 16 THR CB C 16 65.364 65.364 68.791 -3.427 25830 5850 1 12 . 1 1 16 16 THR H H 16 8.258 8.258 8.125 0.133 25830 5851 1 12 . 1 1 17 17 TYR N N 17 124.563 124.563 121.939 2.624 25830 5852 1 12 . 1 1 17 17 TYR HA H 17 4.265 4.265 4.296 -0.031 25830 5853 1 12 . 1 1 17 17 TYR C C 17 174.326 174.326 178.139 -3.813 25830 5854 1 12 . 1 1 17 17 TYR CA C 17 58.001 58.001 59.889 -1.888 25830 5855 1 12 . 1 1 17 17 TYR CB C 17 35.252 35.252 37.983 -2.731 25830 5856 1 12 . 1 1 17 17 TYR H H 17 8.280 8.280 8.119 0.161 25830 5857 1 12 . 1 1 18 18 LEU N N 18 119.213 119.213 119.703 -0.490 25830 5858 1 12 . 1 1 18 18 LEU HA H 18 3.630 3.630 3.644 -0.014 25830 5859 1 12 . 1 1 18 18 LEU C C 18 172.858 172.858 178.925 -6.067 25830 5860 1 12 . 1 1 18 18 LEU CA C 18 54.171 54.171 57.345 -3.174 25830 5861 1 12 . 1 1 18 18 LEU CB C 18 38.310 38.310 41.521 -3.211 25830 5862 1 12 . 1 1 18 18 LEU H H 18 8.394 8.394 8.063 0.331 25830 5863 1 12 . 1 1 19 19 GLN N N 19 114.782 114.782 114.196 0.586 25830 5864 1 12 . 1 1 19 19 GLN HA H 19 4.582 4.582 4.252 0.330 25830 5865 1 12 . 1 1 19 19 GLN C C 19 172.754 172.754 176.262 -3.508 25830 5866 1 12 . 1 1 19 19 GLN CA C 19 52.320 52.320 55.185 -2.865 25830 5867 1 12 . 1 1 19 19 GLN CB C 19 27.954 27.954 28.439 -0.485 25830 5868 1 12 . 1 1 19 19 GLN H H 19 7.319 7.319 7.579 -0.260 25830 5869 1 12 . 1 1 20 20 ALA N N 20 126.473 126.473 123.626 2.847 25830 5870 1 12 . 1 1 20 20 ALA HA H 20 4.494 4.494 4.578 -0.084 25830 5871 1 12 . 1 1 20 20 ALA C C 20 171.072 171.072 175.348 -4.276 25830 5872 1 12 . 1 1 20 20 ALA CA C 20 48.862 48.862 50.032 -1.170 25830 5873 1 12 . 1 1 20 20 ALA CB C 20 15.610 15.610 18.742 -3.132 25830 5874 1 12 . 1 1 20 20 ALA H H 20 7.292 7.292 7.445 -0.153 25830 5875 1 12 . 1 1 21 21 PRO HA H 21 4.440 4.440 4.459 -0.019 25830 5876 1 12 . 1 1 21 21 PRO C C 21 174.052 174.052 176.993 -2.941 25830 5877 1 12 . 1 1 21 21 PRO CA C 21 59.522 59.522 61.793 -2.271 25830 5878 1 12 . 1 1 21 21 PRO CB C 21 29.853 29.853 32.413 -2.560 25830 5879 1 12 . 1 1 22 22 ASN N N 22 117.448 117.448 118.006 -0.558 25830 5880 1 12 . 1 1 22 22 ASN HA H 22 4.754 4.754 4.588 0.166 25830 5881 1 12 . 1 1 22 22 ASN C C 22 173.299 173.299 176.603 -3.304 25830 5882 1 12 . 1 1 22 22 ASN CA C 22 51.478 51.478 55.335 -3.857 25830 5883 1 12 . 1 1 22 22 ASN CB C 22 35.291 35.291 37.977 -2.686 25830 5884 1 12 . 1 1 22 22 ASN H H 22 8.466 8.466 8.833 -0.367 25830 5885 1 12 . 1 1 23 23 ASN N N 23 113.171 113.171 116.275 -3.104 25830 5886 1 12 . 1 1 23 23 ASN HA H 23 4.555 4.555 4.625 -0.070 25830 5887 1 12 . 1 1 23 23 ASN C C 23 172.210 172.210 174.858 -2.648 25830 5888 1 12 . 1 1 23 23 ASN CA C 23 50.626 50.626 53.998 -3.372 25830 5889 1 12 . 1 1 23 23 ASN CB C 23 34.278 34.278 38.653 -4.375 25830 5890 1 12 . 1 1 23 23 ASN H H 23 8.187 8.187 8.325 -0.138 25830 5891 1 12 . 1 1 24 24 ALA N N 24 122.578 122.578 121.561 1.017 25830 5892 1 12 . 1 1 24 24 ALA HA H 24 4.394 4.394 4.514 -0.120 25830 5893 1 12 . 1 1 24 24 ALA C C 24 173.708 173.708 176.484 -2.776 25830 5894 1 12 . 1 1 24 24 ALA CA C 24 49.696 49.696 52.018 -2.322 25830 5895 1 12 . 1 1 24 24 ALA CB C 24 18.288 18.288 20.327 -2.039 25830 5896 1 12 . 1 1 24 24 ALA H H 24 7.381 7.381 7.656 -0.275 25830 5897 1 12 . 1 1 25 25 SER N N 25 115.237 115.237 113.696 1.541 25830 5898 1 12 . 1 1 25 25 SER HA H 25 4.922 4.922 4.408 0.514 25830 5899 1 12 . 1 1 25 25 SER C C 25 181.107 181.107 171.644 9.463 25830 5900 1 12 . 1 1 25 25 SER CA C 25 53.033 53.033 54.890 -1.857 25830 5901 1 12 . 1 1 25 25 SER CB C 25 61.549 61.549 64.489 -2.940 25830 5902 1 12 . 1 1 25 25 SER H H 25 8.649 8.649 8.186 0.463 25830 5903 1 12 . 1 1 26 26 PRO HA H 26 4.014 4.014 4.198 -0.184 25830 5904 1 12 . 1 1 26 26 PRO CA C 26 57.292 57.292 60.956 -3.664 25830 5905 1 12 . 1 1 26 26 PRO CB C 26 27.450 27.450 30.997 -3.546 25830 5906 1 12 . 1 1 27 27 PRO HA H 27 4.881 4.881 4.588 0.293 25830 5907 1 12 . 1 1 27 27 PRO CA C 27 58.500 58.500 61.090 -2.590 25830 5908 1 12 . 1 1 27 27 PRO CB C 27 28.489 28.489 30.708 -2.219 25830 5909 1 12 . 1 1 28 28 PRO HA H 28 4.421 4.421 4.203 0.218 25830 5910 1 12 . 1 1 28 28 PRO CA C 28 64.505 64.505 66.992 -2.487 25830 5911 1 12 . 1 1 28 28 PRO CB C 28 26.217 26.217 29.316 -3.099 25830 5912 1 12 . 1 1 29 29 PRO HA H 29 4.477 4.477 4.301 0.176 25830 5913 1 12 . 1 1 29 29 PRO C C 29 177.330 177.330 178.877 -1.547 25830 5914 1 12 . 1 1 29 29 PRO CA C 29 62.883 62.883 65.570 -2.687 25830 5915 1 12 . 1 1 29 29 PRO CB C 29 28.301 28.301 30.998 -2.697 25830 5916 1 12 . 1 1 30 30 CYS N N 30 114.694 114.694 117.982 -3.288 25830 5917 1 12 . 1 1 30 30 CYS HA H 30 4.456 4.456 4.306 0.150 25830 5918 1 12 . 1 1 30 30 CYS C C 30 172.260 172.260 177.126 -4.866 25830 5919 1 12 . 1 1 30 30 CYS CA C 30 55.585 55.585 61.276 -5.691 25830 5920 1 12 . 1 1 30 30 CYS CB C 30 34.602 34.602 25.681 8.921 25830 5921 1 12 . 1 1 30 30 CYS H H 30 7.637 7.637 7.694 -0.057 25830 5922 1 12 . 1 1 31 31 CYS N N 31 116.335 116.335 120.611 -4.276 25830 5923 1 12 . 1 1 31 31 CYS HA H 31 4.607 4.607 4.130 0.477 25830 5924 1 12 . 1 1 31 31 CYS C C 31 174.401 174.401 177.222 -2.821 25830 5925 1 12 . 1 1 31 31 CYS CA C 31 51.858 51.858 63.156 -11.298 25830 5926 1 12 . 1 1 31 31 CYS CB C 31 29.979 29.979 25.676 4.303 25830 5927 1 12 . 1 1 31 31 CYS H H 31 7.083 7.083 8.317 -1.234 25830 5928 1 12 . 1 1 32 32 ALA N N 32 121.738 121.738 121.439 0.299 25830 5929 1 12 . 1 1 32 32 ALA HA H 32 4.070 4.070 3.983 0.087 25830 5930 1 12 . 1 1 32 32 ALA C C 32 177.730 177.730 179.480 -1.750 25830 5931 1 12 . 1 1 32 32 ALA CA C 32 52.557 52.557 55.241 -2.684 25830 5932 1 12 . 1 1 32 32 ALA CB C 32 15.204 15.204 17.982 -2.778 25830 5933 1 12 . 1 1 32 32 ALA H H 32 8.481 8.481 8.058 0.423 25830 5934 1 12 . 1 1 33 33 GLY N N 33 108.715 108.715 106.444 2.271 25830 5935 1 12 . 1 1 33 33 GLY C C 33 172.825 172.825 176.284 -3.459 25830 5936 1 12 . 1 1 33 33 GLY CA C 33 44.748 44.748 47.172 -2.424 25830 5937 1 12 . 1 1 33 33 GLY H H 33 7.683 7.683 7.865 -0.182 25830 5938 1 12 . 1 1 34 34 VAL N N 34 121.079 121.079 121.326 -0.247 25830 5939 1 12 . 1 1 34 34 VAL HA H 34 3.489 3.489 3.679 -0.190 25830 5940 1 12 . 1 1 34 34 VAL C C 34 174.764 174.764 178.589 -3.825 25830 5941 1 12 . 1 1 34 34 VAL CA C 34 63.930 63.930 66.019 -2.089 25830 5942 1 12 . 1 1 34 34 VAL CB C 34 29.037 29.037 31.341 -2.304 25830 5943 1 12 . 1 1 34 34 VAL H H 34 8.085 8.085 7.540 0.545 25830 5944 1 12 . 1 1 35 35 LYS N N 35 117.845 117.845 117.939 -0.094 25830 5945 1 12 . 1 1 35 35 LYS HA H 35 3.814 3.814 4.083 -0.269 25830 5946 1 12 . 1 1 35 35 LYS C C 35 176.677 176.677 178.565 -1.888 25830 5947 1 12 . 1 1 35 35 LYS CA C 35 57.849 57.849 58.787 -0.938 25830 5948 1 12 . 1 1 35 35 LYS CB C 35 29.635 29.635 31.616 -1.981 25830 5949 1 12 . 1 1 35 35 LYS H H 35 8.089 8.089 7.812 0.277 25830 5950 1 12 . 1 1 36 36 LYS N N 36 120.507 120.507 120.787 -0.280 25830 5951 1 12 . 1 1 36 36 LYS HA H 36 3.946 3.946 4.086 -0.140 25830 5952 1 12 . 1 1 36 36 LYS C C 36 176.481 176.481 177.969 -1.488 25830 5953 1 12 . 1 1 36 36 LYS CA C 36 56.889 56.889 58.427 -1.538 25830 5954 1 12 . 1 1 36 36 LYS CB C 36 29.999 29.999 31.897 -1.898 25830 5955 1 12 . 1 1 36 36 LYS H H 36 7.940 7.940 7.414 0.526 25830 5956 1 12 . 1 1 37 37 LEU N N 37 121.929 121.929 120.717 1.212 25830 5957 1 12 . 1 1 37 37 LEU HA H 37 4.012 4.012 3.948 0.064 25830 5958 1 12 . 1 1 37 37 LEU C C 37 175.490 175.490 178.489 -2.999 25830 5959 1 12 . 1 1 37 37 LEU CA C 37 55.567 55.567 57.987 -2.420 25830 5960 1 12 . 1 1 37 37 LEU CB C 37 38.621 38.621 41.357 -2.736 25830 5961 1 12 . 1 1 37 37 LEU H H 37 7.882 7.882 7.469 0.413 25830 5962 1 12 . 1 1 38 38 LEU N N 38 117.061 117.061 118.836 -1.775 25830 5963 1 12 . 1 1 38 38 LEU HA H 38 4.050 4.050 3.986 0.064 25830 5964 1 12 . 1 1 38 38 LEU C C 38 177.275 177.275 178.232 -0.957 25830 5965 1 12 . 1 1 38 38 LEU CA C 38 54.535 54.535 57.685 -3.150 25830 5966 1 12 . 1 1 38 38 LEU CB C 38 38.448 38.448 40.846 -2.398 25830 5967 1 12 . 1 1 38 38 LEU H H 38 7.812 7.812 7.685 0.127 25830 5968 1 12 . 1 1 39 39 ALA N N 39 119.986 119.986 118.537 1.449 25830 5969 1 12 . 1 1 39 39 ALA HA H 39 4.105 4.105 4.237 -0.132 25830 5970 1 12 . 1 1 39 39 ALA C C 39 175.721 175.721 178.300 -2.579 25830 5971 1 12 . 1 1 39 39 ALA CA C 39 50.910 50.910 52.716 -1.806 25830 5972 1 12 . 1 1 39 39 ALA CB C 39 15.545 15.545 19.270 -3.725 25830 5973 1 12 . 1 1 39 39 ALA H H 39 7.914 7.914 7.584 0.330 25830 5974 1 12 . 1 1 40 40 ALA N N 40 118.015 118.015 122.117 -4.102 25830 5975 1 12 . 1 1 40 40 ALA HA H 40 4.266 4.266 4.202 0.064 25830 5976 1 12 . 1 1 40 40 ALA C C 40 174.416 174.416 177.969 -3.553 25830 5977 1 12 . 1 1 40 40 ALA CA C 40 49.886 49.886 53.637 -3.751 25830 5978 1 12 . 1 1 40 40 ALA CB C 40 16.330 16.330 19.215 -2.885 25830 5979 1 12 . 1 1 40 40 ALA H H 40 7.302 7.302 7.655 -0.353 25830 5980 1 12 . 1 1 41 41 ALA N N 41 122.389 122.389 119.264 3.125 25830 5981 1 12 . 1 1 41 41 ALA HA H 41 4.605 4.605 4.211 0.394 25830 5982 1 12 . 1 1 41 41 ALA C C 41 172.709 172.709 176.937 -4.228 25830 5983 1 12 . 1 1 41 41 ALA CA C 41 47.917 47.917 52.222 -4.305 25830 5984 1 12 . 1 1 41 41 ALA CB C 41 15.072 15.072 20.096 -5.024 25830 5985 1 12 . 1 1 41 41 ALA H H 41 7.304 7.304 7.538 -0.234 25830 5986 1 12 . 1 1 42 42 THR N N 42 113.142 113.142 114.111 -0.969 25830 5987 1 12 . 1 1 42 42 THR HA H 42 4.422 4.422 4.338 0.084 25830 5988 1 12 . 1 1 42 42 THR C C 42 172.086 172.086 175.105 -3.019 25830 5989 1 12 . 1 1 42 42 THR CA C 42 59.772 59.772 64.059 -4.287 25830 5990 1 12 . 1 1 42 42 THR CB C 42 66.992 66.992 69.174 -2.182 25830 5991 1 12 . 1 1 42 42 THR H H 42 8.663 8.663 8.405 0.258 25830 5992 1 12 . 1 1 43 43 THR N N 43 111.501 111.501 111.899 -0.398 25830 5993 1 12 . 1 1 43 43 THR HA H 43 4.704 4.704 4.660 0.044 25830 5994 1 12 . 1 1 43 43 THR C C 43 172.283 172.283 174.870 -2.587 25830 5995 1 12 . 1 1 43 43 THR CA C 43 56.869 56.869 59.892 -3.023 25830 5996 1 12 . 1 1 43 43 THR CB C 43 69.211 69.211 71.257 -2.046 25830 5997 1 12 . 1 1 43 43 THR H H 43 7.705 7.705 7.471 0.234 25830 5998 1 12 . 1 1 44 44 THR N N 44 119.157 119.157 115.135 4.022 25830 5999 1 12 . 1 1 44 44 THR HA H 44 3.861 3.861 4.367 -0.506 25830 6000 1 12 . 1 1 44 44 THR CA C 44 66.420 66.420 66.440 -0.020 25830 6001 1 12 . 1 1 44 44 THR CB C 44 63.702 63.702 67.229 -3.527 25830 6002 1 12 . 1 1 44 44 THR H H 44 9.305 9.305 8.566 0.739 25830 6003 1 12 . 1 1 45 45 PRO HA H 45 4.345 4.345 4.411 -0.066 25830 6004 1 12 . 1 1 45 45 PRO C C 45 177.238 177.238 177.998 -0.760 25830 6005 1 12 . 1 1 45 45 PRO CA C 45 63.192 63.192 65.029 -1.837 25830 6006 1 12 . 1 1 45 45 PRO CB C 45 28.232 28.232 31.369 -3.137 25830 6007 1 12 . 1 1 46 46 ASP N N 46 117.412 117.412 120.003 -2.591 25830 6008 1 12 . 1 1 46 46 ASP HA H 46 4.571 4.571 4.421 0.150 25830 6009 1 12 . 1 1 46 46 ASP C C 46 175.358 175.358 177.537 -2.179 25830 6010 1 12 . 1 1 46 46 ASP CA C 46 54.436 54.436 56.532 -2.096 25830 6011 1 12 . 1 1 46 46 ASP CB C 46 37.884 37.884 40.345 -2.461 25830 6012 1 12 . 1 1 46 46 ASP H H 46 7.238 7.238 8.115 -0.877 25830 6013 1 12 . 1 1 47 47 ARG N N 47 122.342 122.342 118.702 3.640 25830 6014 1 12 . 1 1 47 47 ARG HA H 47 3.754 3.754 3.824 -0.070 25830 6015 1 12 . 1 1 47 47 ARG C C 47 176.688 176.688 178.175 -1.487 25830 6016 1 12 . 1 1 47 47 ARG CA C 47 57.351 57.351 59.179 -1.828 25830 6017 1 12 . 1 1 47 47 ARG CB C 47 26.606 26.606 29.198 -2.591 25830 6018 1 12 . 1 1 47 47 ARG H H 47 8.383 8.383 7.435 0.948 25830 6019 1 12 . 1 1 48 48 GLN N N 48 120.813 120.813 119.401 1.412 25830 6020 1 12 . 1 1 48 48 GLN HA H 48 3.650 3.650 3.970 -0.320 25830 6021 1 12 . 1 1 48 48 GLN C C 48 175.354 175.354 178.119 -2.765 25830 6022 1 12 . 1 1 48 48 GLN CA C 48 56.742 56.742 58.685 -1.943 25830 6023 1 12 . 1 1 48 48 GLN CB C 48 25.406 25.406 28.276 -2.870 25830 6024 1 12 . 1 1 48 48 GLN H H 48 8.176 8.176 7.777 0.399 25830 6025 1 12 . 1 1 49 49 ALA N N 49 122.476 122.476 121.096 1.380 25830 6026 1 12 . 1 1 49 49 ALA HA H 49 4.224 4.224 3.963 0.261 25830 6027 1 12 . 1 1 49 49 ALA C C 49 177.581 177.581 179.231 -1.650 25830 6028 1 12 . 1 1 49 49 ALA CA C 49 52.410 52.410 54.857 -2.447 25830 6029 1 12 . 1 1 49 49 ALA CB C 49 15.305 15.305 17.896 -2.591 25830 6030 1 12 . 1 1 49 49 ALA H H 49 8.079 8.079 7.634 0.445 25830 6031 1 12 . 1 1 50 50 ALA N N 50 121.104 121.104 120.299 0.805 25830 6032 1 12 . 1 1 50 50 ALA HA H 50 3.686 3.686 4.006 -0.320 25830 6033 1 12 . 1 1 50 50 ALA C C 50 175.478 175.478 178.834 -3.356 25830 6034 1 12 . 1 1 50 50 ALA CA C 50 53.344 53.344 54.783 -1.439 25830 6035 1 12 . 1 1 50 50 ALA CB C 50 14.032 14.032 18.296 -4.264 25830 6036 1 12 . 1 1 50 50 ALA H H 50 8.494 8.494 7.595 0.899 25830 6037 1 12 . 1 1 51 51 CYS N N 51 117.063 117.063 115.506 1.557 25830 6038 1 12 . 1 1 51 51 CYS HA H 51 4.091 4.091 4.330 -0.239 25830 6039 1 12 . 1 1 51 51 CYS C C 51 173.692 173.692 176.283 -2.591 25830 6040 1 12 . 1 1 51 51 CYS CA C 51 57.660 57.660 61.111 -3.451 25830 6041 1 12 . 1 1 51 51 CYS CB C 51 34.278 34.278 25.809 8.469 25830 6042 1 12 . 1 1 51 51 CYS H H 51 7.466 7.466 7.744 -0.278 25830 6043 1 12 . 1 1 52 52 ASN N N 52 120.867 120.867 117.249 3.618 25830 6044 1 12 . 1 1 52 52 ASN HA H 52 4.403 4.403 4.824 -0.421 25830 6045 1 12 . 1 1 52 52 ASN C C 52 176.290 176.290 176.745 -0.455 25830 6046 1 12 . 1 1 52 52 ASN CA C 52 54.177 54.177 55.542 -1.365 25830 6047 1 12 . 1 1 52 52 ASN CB C 52 36.302 36.302 38.610 -2.308 25830 6048 1 12 . 1 1 52 52 ASN H H 52 8.164 8.164 8.049 0.115 25830 6049 1 12 . 1 1 53 53 CYS N N 53 119.542 119.542 120.015 -0.473 25830 6050 1 12 . 1 1 53 53 CYS HA H 53 4.543 4.543 4.223 0.320 25830 6051 1 12 . 1 1 53 53 CYS C C 53 175.294 175.294 176.910 -1.616 25830 6052 1 12 . 1 1 53 53 CYS CA C 53 53.637 53.637 62.080 -8.443 25830 6053 1 12 . 1 1 53 53 CYS CB C 53 34.302 34.302 26.352 7.950 25830 6054 1 12 . 1 1 53 53 CYS H H 53 8.974 8.974 7.583 1.391 25830 6055 1 12 . 1 1 54 54 LEU N N 54 124.510 124.510 118.677 5.833 25830 6056 1 12 . 1 1 54 54 LEU HA H 54 3.964 3.964 3.996 -0.032 25830 6057 1 12 . 1 1 54 54 LEU C C 54 175.082 175.082 179.076 -3.994 25830 6058 1 12 . 1 1 54 54 LEU CA C 54 55.725 55.725 57.924 -2.199 25830 6059 1 12 . 1 1 54 54 LEU CB C 54 39.035 39.035 41.020 -1.985 25830 6060 1 12 . 1 1 54 54 LEU H H 54 8.794 8.794 7.893 0.901 25830 6061 1 12 . 1 1 55 55 LYS N N 55 120.615 120.615 118.502 2.113 25830 6062 1 12 . 1 1 55 55 LYS HA H 55 3.929 3.929 3.946 -0.017 25830 6063 1 12 . 1 1 55 55 LYS C C 55 176.860 176.860 178.338 -1.478 25830 6064 1 12 . 1 1 55 55 LYS CA C 55 57.089 57.089 59.270 -2.180 25830 6065 1 12 . 1 1 55 55 LYS CB C 55 30.420 30.420 32.333 -1.913 25830 6066 1 12 . 1 1 55 55 LYS H H 55 8.119 8.119 7.412 0.707 25830 6067 1 12 . 1 1 56 56 SER N N 56 113.653 113.653 115.178 -1.525 25830 6068 1 12 . 1 1 56 56 SER HA H 56 4.202 4.202 4.271 -0.069 25830 6069 1 12 . 1 1 56 56 SER C C 56 175.009 175.009 176.923 -1.914 25830 6070 1 12 . 1 1 56 56 SER CA C 56 58.397 58.397 61.090 -2.693 25830 6071 1 12 . 1 1 56 56 SER CB C 56 60.063 60.063 63.089 -3.026 25830 6072 1 12 . 1 1 56 56 SER H H 56 7.746 7.746 7.612 0.134 25830 6073 1 12 . 1 1 57 57 ALA N N 57 125.184 125.184 123.125 2.059 25830 6074 1 12 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.104 -0.031 25830 6075 1 12 . 1 1 57 57 ALA C C 57 177.735 177.735 179.084 -1.349 25830 6076 1 12 . 1 1 57 57 ALA CA C 57 52.222 52.222 54.541 -2.319 25830 6077 1 12 . 1 1 57 57 ALA CB C 57 14.710 14.710 18.292 -3.582 25830 6078 1 12 . 1 1 57 57 ALA H H 57 8.370 8.370 7.931 0.439 25830 6079 1 12 . 1 1 58 58 ALA N N 58 119.288 119.288 120.792 -1.504 25830 6080 1 12 . 1 1 58 58 ALA HA H 58 3.873 3.873 4.132 -0.259 25830 6081 1 12 . 1 1 58 58 ALA C C 58 176.201 176.201 178.979 -2.778 25830 6082 1 12 . 1 1 58 58 ALA CA C 58 52.154 52.154 54.077 -1.923 25830 6083 1 12 . 1 1 58 58 ALA CB C 58 13.944 13.944 18.451 -4.507 25830 6084 1 12 . 1 1 58 58 ALA H H 58 8.355 8.355 7.572 0.783 25830 6085 1 12 . 1 1 59 59 GLY N N 59 101.896 101.896 105.844 -3.948 25830 6086 1 12 . 1 1 59 59 GLY C C 59 171.619 171.619 175.045 -3.426 25830 6087 1 12 . 1 1 59 59 GLY CA C 59 43.245 43.245 45.985 -2.740 25830 6088 1 12 . 1 1 59 59 GLY H H 59 7.613 7.613 7.994 -0.381 25830 6089 1 12 . 1 1 60 60 SER N N 60 114.297 114.297 115.742 -1.445 25830 6090 1 12 . 1 1 60 60 SER HA H 60 4.548 4.548 4.525 0.023 25830 6091 1 12 . 1 1 60 60 SER C C 60 171.232 171.232 174.819 -3.587 25830 6092 1 12 . 1 1 60 60 SER CA C 60 55.817 55.817 57.966 -2.149 25830 6093 1 12 . 1 1 60 60 SER CB C 60 61.793 61.793 64.638 -2.845 25830 6094 1 12 . 1 1 60 60 SER H H 60 7.570 7.570 7.531 0.039 25830 6095 1 12 . 1 1 61 61 ILE N N 61 125.096 125.096 127.099 -2.003 25830 6096 1 12 . 1 1 61 61 ILE HA H 61 4.272 4.272 4.262 0.010 25830 6097 1 12 . 1 1 61 61 ILE C C 61 170.966 170.966 174.559 -3.593 25830 6098 1 12 . 1 1 61 61 ILE CA C 61 56.364 56.364 59.577 -3.213 25830 6099 1 12 . 1 1 61 61 ILE CB C 61 36.307 36.307 37.792 -1.485 25830 6100 1 12 . 1 1 61 61 ILE H H 61 7.222 7.222 7.351 -0.129 25830 6101 1 12 . 1 1 62 62 PRO HA H 62 4.317 4.317 4.353 -0.036 25830 6102 1 12 . 1 1 62 62 PRO C C 62 173.935 173.935 176.233 -2.298 25830 6103 1 12 . 1 1 62 62 PRO CA C 62 60.634 60.634 63.181 -2.547 25830 6104 1 12 . 1 1 62 62 PRO CB C 62 29.399 29.399 31.827 -2.428 25830 6105 1 12 . 1 1 63 63 LYS N N 63 115.837 115.837 116.822 -0.985 25830 6106 1 12 . 1 1 63 63 LYS HA H 63 3.916 3.916 3.801 0.115 25830 6107 1 12 . 1 1 63 63 LYS C C 63 172.800 172.800 176.000 -3.200 25830 6108 1 12 . 1 1 63 63 LYS CA C 63 53.303 53.303 56.829 -3.526 25830 6109 1 12 . 1 1 63 63 LYS CB C 63 26.973 26.973 30.375 -3.402 25830 6110 1 12 . 1 1 63 63 LYS H H 63 8.584 8.584 8.457 0.127 25830 6111 1 12 . 1 1 64 64 LEU N N 64 118.672 118.672 120.135 -1.463 25830 6112 1 12 . 1 1 64 64 LEU HA H 64 3.625 3.625 4.158 -0.533 25830 6113 1 12 . 1 1 64 64 LEU C C 64 173.690 173.690 176.059 -2.369 25830 6114 1 12 . 1 1 64 64 LEU CA C 64 53.929 53.929 55.802 -1.873 25830 6115 1 12 . 1 1 64 64 LEU CB C 64 39.878 39.878 42.165 -2.287 25830 6116 1 12 . 1 1 64 64 LEU H H 64 7.116 7.116 7.452 -0.336 25830 6117 1 12 . 1 1 65 65 ASN N N 65 125.562 125.562 124.992 0.570 25830 6118 1 12 . 1 1 65 65 ASN HA H 65 4.879 4.879 4.940 -0.061 25830 6119 1 12 . 1 1 65 65 ASN C C 65 174.338 174.338 176.177 -1.839 25830 6120 1 12 . 1 1 65 65 ASN CA C 65 48.862 48.862 51.799 -2.937 25830 6121 1 12 . 1 1 65 65 ASN CB C 65 34.238 34.238 38.792 -4.554 25830 6122 1 12 . 1 1 65 65 ASN H H 65 9.348 9.348 8.260 1.088 25830 6123 1 12 . 1 1 66 66 THR N N 66 118.448 118.448 118.193 0.255 25830 6124 1 12 . 1 1 66 66 THR HA H 66 3.840 3.840 3.932 -0.092 25830 6125 1 12 . 1 1 66 66 THR C C 66 174.820 174.820 175.410 -0.590 25830 6126 1 12 . 1 1 66 66 THR CA C 66 62.576 62.576 65.037 -2.461 25830 6127 1 12 . 1 1 66 66 THR CB C 66 65.348 65.348 68.856 -3.508 25830 6128 1 12 . 1 1 66 66 THR H H 66 8.735 8.735 8.437 0.298 25830 6129 1 12 . 1 1 67 67 ASN N N 67 121.545 121.545 119.225 2.320 25830 6130 1 12 . 1 1 67 67 ASN HA H 67 4.460 4.460 4.464 -0.004 25830 6131 1 12 . 1 1 67 67 ASN C C 67 174.825 174.825 177.417 -2.592 25830 6132 1 12 . 1 1 67 67 ASN CA C 67 53.781 53.781 56.155 -2.374 25830 6133 1 12 . 1 1 67 67 ASN CB C 67 35.495 35.495 38.045 -2.550 25830 6134 1 12 . 1 1 67 67 ASN H H 67 8.229 8.229 8.358 -0.129 25830 6135 1 12 . 1 1 68 68 ASN N N 68 122.399 122.399 119.163 3.236 25830 6136 1 12 . 1 1 68 68 ASN HA H 68 4.463 4.463 4.601 -0.138 25830 6137 1 12 . 1 1 68 68 ASN C C 68 175.357 175.357 176.156 -0.799 25830 6138 1 12 . 1 1 68 68 ASN CA C 68 52.009 52.009 55.666 -3.657 25830 6139 1 12 . 1 1 68 68 ASN CB C 68 32.853 32.853 38.039 -5.186 25830 6140 1 12 . 1 1 68 68 ASN H H 68 7.153 7.153 7.813 -0.660 25830 6141 1 12 . 1 1 69 69 ALA N N 69 123.588 123.588 120.375 3.213 25830 6142 1 12 . 1 1 69 69 ALA HA H 69 3.930 3.930 3.937 -0.007 25830 6143 1 12 . 1 1 69 69 ALA C C 69 175.919 175.919 178.180 -2.261 25830 6144 1 12 . 1 1 69 69 ALA CA C 69 53.087 53.087 54.214 -1.127 25830 6145 1 12 . 1 1 69 69 ALA CB C 69 14.867 14.867 18.379 -3.512 25830 6146 1 12 . 1 1 69 69 ALA H H 69 7.942 7.942 7.288 0.654 25830 6147 1 12 . 1 1 70 70 ALA N N 70 117.736 117.736 119.984 -2.248 25830 6148 1 12 . 1 1 70 70 ALA HA H 70 4.250 4.250 4.145 0.105 25830 6149 1 12 . 1 1 70 70 ALA C C 70 176.704 176.704 178.650 -1.946 25830 6150 1 12 . 1 1 70 70 ALA CA C 70 51.706 51.706 54.335 -2.629 25830 6151 1 12 . 1 1 70 70 ALA CB C 70 15.507 15.507 19.035 -3.528 25830 6152 1 12 . 1 1 70 70 ALA H H 70 7.574 7.574 7.360 0.214 25830 6153 1 12 . 1 1 71 71 ALA N N 71 117.858 117.858 120.549 -2.691 25830 6154 1 12 . 1 1 71 71 ALA HA H 71 4.321 4.321 4.427 -0.106 25830 6155 1 12 . 1 1 71 71 ALA C C 71 175.190 175.190 179.246 -4.056 25830 6156 1 12 . 1 1 71 71 ALA CA C 71 50.142 50.142 53.596 -3.454 25830 6157 1 12 . 1 1 71 71 ALA CB C 71 16.908 16.908 18.328 -1.420 25830 6158 1 12 . 1 1 71 71 ALA H H 71 7.676 7.676 7.395 0.281 25830 6159 1 12 . 1 1 72 72 LEU N N 72 117.566 117.566 122.365 -4.799 25830 6160 1 12 . 1 1 72 72 LEU HA H 72 4.097 4.097 4.364 -0.267 25830 6161 1 12 . 1 1 72 72 LEU C C 72 170.406 170.406 175.455 -5.049 25830 6162 1 12 . 1 1 72 72 LEU CA C 72 57.688 57.688 59.650 -1.962 25830 6163 1 12 . 1 1 72 72 LEU CB C 72 36.632 36.632 39.687 -3.055 25830 6164 1 12 . 1 1 72 72 LEU H H 72 7.494 7.494 7.687 -0.193 25830 6165 1 12 . 1 1 73 73 PRO HA H 73 3.793 3.793 4.280 -0.487 25830 6166 1 12 . 1 1 73 73 PRO C C 73 176.416 176.416 178.991 -2.575 25830 6167 1 12 . 1 1 73 73 PRO CA C 73 64.431 64.431 65.545 -1.114 25830 6168 1 12 . 1 1 73 73 PRO CB C 73 27.928 27.928 31.084 -3.156 25830 6169 1 12 . 1 1 74 74 GLY N N 74 106.170 106.170 107.572 -1.402 25830 6170 1 12 . 1 1 74 74 GLY C C 74 176.081 176.081 176.421 -0.340 25830 6171 1 12 . 1 1 74 74 GLY CA C 74 44.577 44.577 47.137 -2.560 25830 6172 1 12 . 1 1 74 74 GLY H H 74 8.374 8.374 7.965 0.409 25830 6173 1 12 . 1 1 75 75 LYS N N 75 121.379 121.379 119.347 2.032 25830 6174 1 12 . 1 1 75 75 LYS HA H 75 4.162 4.162 4.158 0.004 25830 6175 1 12 . 1 1 75 75 LYS C C 75 175.735 175.735 178.180 -2.445 25830 6176 1 12 . 1 1 75 75 LYS CA C 75 56.053 56.053 58.097 -2.044 25830 6177 1 12 . 1 1 75 75 LYS CB C 75 30.087 30.087 31.913 -1.826 25830 6178 1 12 . 1 1 75 75 LYS H H 75 8.417 8.417 8.239 0.178 25830 6179 1 12 . 1 1 76 76 CYS N N 76 115.021 115.021 116.166 -1.145 25830 6180 1 12 . 1 1 76 76 CYS HA H 76 4.895 4.895 4.473 0.422 25830 6181 1 12 . 1 1 76 76 CYS C C 76 172.300 172.300 175.548 -3.248 25830 6182 1 12 . 1 1 76 76 CYS CA C 76 49.730 49.730 59.921 -10.191 25830 6183 1 12 . 1 1 76 76 CYS CB C 76 32.817 32.817 27.945 4.872 25830 6184 1 12 . 1 1 76 76 CYS H H 76 7.756 7.756 7.619 0.137 25830 6185 1 12 . 1 1 77 77 GLY N N 77 109.352 109.352 108.071 1.281 25830 6186 1 12 . 1 1 77 77 GLY C C 77 171.753 171.753 174.027 -2.274 25830 6187 1 12 . 1 1 77 77 GLY CA C 77 43.794 43.794 45.140 -1.346 25830 6188 1 12 . 1 1 77 77 GLY H H 77 7.894 7.894 8.123 -0.229 25830 6189 1 12 . 1 1 78 78 VAL N N 78 115.528 115.528 115.859 -0.331 25830 6190 1 12 . 1 1 78 78 VAL HA H 78 4.491 4.491 4.541 -0.050 25830 6191 1 12 . 1 1 78 78 VAL C C 78 171.256 171.256 175.038 -3.782 25830 6192 1 12 . 1 1 78 78 VAL CA C 78 56.800 56.800 60.919 -4.119 25830 6193 1 12 . 1 1 78 78 VAL CB C 78 31.741 31.741 33.325 -1.584 25830 6194 1 12 . 1 1 78 78 VAL H H 78 8.137 8.137 7.470 0.667 25830 6195 1 12 . 1 1 79 79 SER N N 79 116.418 116.418 120.431 -4.013 25830 6196 1 12 . 1 1 79 79 SER HA H 79 4.583 4.583 4.815 -0.232 25830 6197 1 12 . 1 1 79 79 SER C C 79 170.681 170.681 174.573 -3.892 25830 6198 1 12 . 1 1 79 79 SER CA C 79 54.258 54.258 57.712 -3.454 25830 6199 1 12 . 1 1 79 79 SER CB C 79 61.468 61.468 64.079 -2.611 25830 6200 1 12 . 1 1 79 79 SER H H 79 8.124 8.124 8.357 -0.233 25830 6201 1 12 . 1 1 80 80 ILE N N 80 120.257 120.257 119.553 0.704 25830 6202 1 12 . 1 1 80 80 ILE HA H 80 4.639 4.639 4.699 -0.060 25830 6203 1 12 . 1 1 80 80 ILE C C 80 172.830 172.830 173.974 -1.144 25830 6204 1 12 . 1 1 80 80 ILE CA C 80 55.333 55.333 58.595 -3.262 25830 6205 1 12 . 1 1 80 80 ILE CB C 80 38.093 38.093 39.252 -1.159 25830 6206 1 12 . 1 1 80 80 ILE H H 80 8.089 8.089 8.220 -0.131 25830 6207 1 12 . 1 1 81 81 PRO HA H 81 4.547 4.547 4.385 0.162 25830 6208 1 12 . 1 1 81 81 PRO C C 81 171.325 171.325 175.922 -4.597 25830 6209 1 12 . 1 1 81 81 PRO CA C 81 60.903 60.903 64.108 -3.205 25830 6210 1 12 . 1 1 81 81 PRO CB C 81 27.693 27.693 32.271 -4.578 25830 6211 1 12 . 1 1 82 82 TYR N N 82 115.259 115.259 117.090 -1.831 25830 6212 1 12 . 1 1 82 82 TYR HA H 82 4.732 4.732 4.549 0.183 25830 6213 1 12 . 1 1 82 82 TYR C C 82 170.187 170.187 174.960 -4.773 25830 6214 1 12 . 1 1 82 82 TYR CA C 82 51.930 51.930 57.135 -5.205 25830 6215 1 12 . 1 1 82 82 TYR CB C 82 37.275 37.275 40.631 -3.356 25830 6216 1 12 . 1 1 82 82 TYR H H 82 6.642 6.642 7.618 -0.976 25830 6217 1 12 . 1 1 83 83 LYS N N 83 116.992 116.992 121.409 -4.417 25830 6218 1 12 . 1 1 83 83 LYS HA H 83 4.464 4.464 4.465 -0.001 25830 6219 1 12 . 1 1 83 83 LYS C C 83 174.342 174.342 176.087 -1.745 25830 6220 1 12 . 1 1 83 83 LYS CA C 83 51.653 51.653 56.144 -4.491 25830 6221 1 12 . 1 1 83 83 LYS CB C 83 31.513 31.513 33.477 -1.964 25830 6222 1 12 . 1 1 83 83 LYS H H 83 8.301 8.301 8.579 -0.278 25830 6223 1 12 . 1 1 84 84 ILE N N 84 126.906 126.906 120.677 6.229 25830 6224 1 12 . 1 1 84 84 ILE HA H 84 3.913 3.913 4.341 -0.428 25830 6225 1 12 . 1 1 84 84 ILE C C 84 170.945 170.945 175.108 -4.163 25830 6226 1 12 . 1 1 84 84 ILE CA C 84 59.761 59.761 60.925 -1.164 25830 6227 1 12 . 1 1 84 84 ILE CB C 84 33.534 33.534 38.227 -4.693 25830 6228 1 12 . 1 1 84 84 ILE H H 84 9.304 9.304 8.572 0.732 25830 6229 1 12 . 1 1 85 85 SER N N 85 120.246 120.246 120.063 0.183 25830 6230 1 12 . 1 1 85 85 SER HA H 85 4.563 4.563 4.851 -0.288 25830 6231 1 12 . 1 1 85 85 SER C C 85 171.695 171.695 174.059 -2.364 25830 6232 1 12 . 1 1 85 85 SER CA C 85 53.394 53.394 56.838 -3.444 25830 6233 1 12 . 1 1 85 85 SER CB C 85 61.638 61.638 65.744 -4.106 25830 6234 1 12 . 1 1 85 85 SER H H 85 7.256 7.256 8.250 -0.994 25830 6235 1 12 . 1 1 86 86 THR N N 86 115.458 115.458 114.388 1.070 25830 6236 1 12 . 1 1 86 86 THR HA H 86 4.147 4.147 4.216 -0.069 25830 6237 1 12 . 1 1 86 86 THR C C 86 172.663 172.663 174.845 -2.182 25830 6238 1 12 . 1 1 86 86 THR CA C 86 61.527 61.527 63.869 -2.342 25830 6239 1 12 . 1 1 86 86 THR CB C 86 65.858 65.858 69.291 -3.433 25830 6240 1 12 . 1 1 86 86 THR H H 86 8.819 8.819 8.347 0.472 25830 6241 1 12 . 1 1 87 87 SER N N 87 114.029 114.029 112.544 1.485 25830 6242 1 12 . 1 1 87 87 SER HA H 87 4.524 4.524 4.483 0.041 25830 6243 1 12 . 1 1 87 87 SER C C 87 172.010 172.010 174.807 -2.797 25830 6244 1 12 . 1 1 87 87 SER CA C 87 55.408 55.408 58.214 -2.806 25830 6245 1 12 . 1 1 87 87 SER CB C 87 61.144 61.144 63.632 -2.488 25830 6246 1 12 . 1 1 87 87 SER H H 87 8.239 8.239 7.708 0.531 25830 6247 1 12 . 1 1 88 88 THR N N 88 120.831 120.831 119.249 1.582 25830 6248 1 12 . 1 1 88 88 THR HA H 88 3.808 3.808 4.267 -0.459 25830 6249 1 12 . 1 1 88 88 THR C C 88 181.273 181.273 173.916 7.357 25830 6250 1 12 . 1 1 88 88 THR CA C 88 61.409 61.409 63.254 -1.845 25830 6251 1 12 . 1 1 88 88 THR CB C 88 67.556 67.556 69.604 -2.048 25830 6252 1 12 . 1 1 88 88 THR H H 88 7.142 7.142 7.194 -0.052 25830 6253 1 12 . 1 1 89 89 ASN N N 89 124.818 124.818 123.961 0.857 25830 6254 1 12 . 1 1 89 89 ASN HA H 89 4.819 4.819 4.687 0.132 25830 6255 1 12 . 1 1 89 89 ASN C C 89 173.325 173.325 175.874 -2.549 25830 6256 1 12 . 1 1 89 89 ASN CA C 89 48.483 48.483 52.595 -4.112 25830 6257 1 12 . 1 1 89 89 ASN CB C 89 34.958 34.958 38.882 -3.924 25830 6258 1 12 . 1 1 89 89 ASN H H 89 8.754 8.754 8.590 0.164 25830 6259 1 12 . 1 1 90 90 CYS N N 90 123.361 123.361 125.111 -1.750 25830 6260 1 12 . 1 1 90 90 CYS HA H 90 4.174 4.174 4.126 0.048 25830 6261 1 12 . 1 1 90 90 CYS C C 90 172.573 172.573 176.241 -3.668 25830 6262 1 12 . 1 1 90 90 CYS CA C 90 54.158 54.158 60.683 -6.525 25830 6263 1 12 . 1 1 90 90 CYS CB C 90 36.687 36.687 25.907 10.780 25830 6264 1 12 . 1 1 90 90 CYS H H 90 8.790 8.790 8.882 -0.092 25830 6265 1 12 . 1 1 91 91 ASN N N 91 115.199 115.199 116.653 -1.454 25830 6266 1 12 . 1 1 91 91 ASN HA H 91 4.578 4.578 4.526 0.052 25830 6267 1 12 . 1 1 91 91 ASN C C 91 173.584 173.584 176.241 -2.657 25830 6268 1 12 . 1 1 91 91 ASN CA C 91 52.264 52.264 54.876 -2.611 25830 6269 1 12 . 1 1 91 91 ASN CB C 91 35.690 35.690 38.111 -2.421 25830 6270 1 12 . 1 1 91 91 ASN H H 91 8.320 8.320 8.468 -0.148 25830 6271 1 12 . 1 1 92 92 THR N N 92 107.497 107.497 111.519 -4.022 25830 6272 1 12 . 1 1 92 92 THR HA H 92 4.388 4.388 4.137 0.251 25830 6273 1 12 . 1 1 92 92 THR C C 92 171.702 171.702 174.660 -2.958 25830 6274 1 12 . 1 1 92 92 THR CA C 92 58.280 58.280 62.280 -4.000 25830 6275 1 12 . 1 1 92 92 THR CB C 92 66.107 66.107 68.793 -2.686 25830 6276 1 12 . 1 1 92 92 THR H H 92 7.338 7.338 7.471 -0.133 25830 6277 1 12 . 1 1 93 93 VAL N N 93 123.151 123.151 122.298 0.853 25830 6278 1 12 . 1 1 93 93 VAL HA H 93 3.667 3.667 4.126 -0.459 25830 6279 1 12 . 1 1 93 93 VAL C C 93 172.207 172.207 176.435 -4.228 25830 6280 1 12 . 1 1 93 93 VAL CA C 93 59.846 59.846 63.823 -3.977 25830 6281 1 12 . 1 1 93 93 VAL CB C 93 29.999 29.999 32.138 -2.139 25830 6282 1 12 . 1 1 93 93 VAL H H 93 6.806 6.806 7.060 -0.254 25830 6283 1 12 . 1 1 94 94 ARG N N 94 127.129 127.129 128.254 -1.125 25830 6284 1 12 . 1 1 94 94 ARG HA H 94 4.339 4.339 4.388 -0.049 25830 6285 1 12 . 1 1 94 94 ARG C C 94 171.859 171.859 175.278 -3.419 25830 6286 1 12 . 1 1 94 94 ARG CA C 94 52.395 52.395 56.671 -4.276 25830 6287 1 12 . 1 1 94 94 ARG CB C 94 26.973 26.973 28.668 -1.695 25830 6288 1 12 . 1 1 94 94 ARG H H 94 8.201 8.201 8.848 -0.647 25830 6289 1 13 . 1 1 2 2 LEU N N 2 123.438 123.438 123.580 -0.142 25830 6290 1 13 . 1 1 2 2 LEU HA H 2 4.344 4.344 4.599 -0.255 25830 6291 1 13 . 1 1 2 2 LEU C C 2 172.388 172.388 176.281 -3.893 25830 6292 1 13 . 1 1 2 2 LEU CA C 2 52.560 52.560 54.945 -2.385 25830 6293 1 13 . 1 1 2 2 LEU CB C 2 40.603 40.603 42.334 -1.731 25830 6294 1 13 . 1 1 2 2 LEU H H 2 8.368 8.368 8.542 -0.174 25830 6295 1 13 . 1 1 3 3 SER N N 3 119.868 119.868 119.612 0.256 25830 6296 1 13 . 1 1 3 3 SER HA H 3 4.748 4.748 4.655 0.093 25830 6297 1 13 . 1 1 3 3 SER C C 3 173.163 173.163 175.646 -2.483 25830 6298 1 13 . 1 1 3 3 SER CA C 3 53.523 53.523 56.819 -3.296 25830 6299 1 13 . 1 1 3 3 SER CB C 3 62.412 62.412 65.309 -2.897 25830 6300 1 13 . 1 1 3 3 SER H H 3 8.550 8.550 8.316 0.234 25830 6301 1 13 . 1 1 4 4 CYS N N 4 120.408 120.408 125.069 -4.661 25830 6302 1 13 . 1 1 4 4 CYS HA H 4 4.586 4.586 4.278 0.308 25830 6303 1 13 . 1 1 4 4 CYS C C 4 175.067 175.067 177.114 -2.047 25830 6304 1 13 . 1 1 4 4 CYS CA C 4 52.166 52.166 60.596 -8.430 25830 6305 1 13 . 1 1 4 4 CYS CB C 4 30.372 30.372 26.739 3.633 25830 6306 1 13 . 1 1 4 4 CYS H H 4 9.222 9.222 9.084 0.138 25830 6307 1 13 . 1 1 5 5 GLY N N 5 110.663 110.663 106.990 3.673 25830 6308 1 13 . 1 1 5 5 GLY C C 5 174.023 174.023 175.631 -1.608 25830 6309 1 13 . 1 1 5 5 GLY CA C 5 44.577 44.577 47.369 -2.792 25830 6310 1 13 . 1 1 5 5 GLY H H 5 8.721 8.721 8.235 0.486 25830 6311 1 13 . 1 1 6 6 THR N N 6 118.884 118.884 116.642 2.242 25830 6312 1 13 . 1 1 6 6 THR HA H 6 4.031 4.031 4.389 -0.358 25830 6313 1 13 . 1 1 6 6 THR C C 6 172.782 172.782 176.800 -4.018 25830 6314 1 13 . 1 1 6 6 THR CA C 6 62.801 62.801 64.722 -1.921 25830 6315 1 13 . 1 1 6 6 THR CB C 6 65.896 65.896 69.230 -3.334 25830 6316 1 13 . 1 1 6 6 THR H H 6 7.676 7.676 7.856 -0.180 25830 6317 1 13 . 1 1 7 7 VAL N N 7 120.789 120.789 123.644 -2.855 25830 6318 1 13 . 1 1 7 7 VAL HA H 7 3.607 3.607 3.720 -0.113 25830 6319 1 13 . 1 1 7 7 VAL C C 7 174.356 174.356 178.407 -4.051 25830 6320 1 13 . 1 1 7 7 VAL CA C 7 63.774 63.774 65.315 -1.541 25830 6321 1 13 . 1 1 7 7 VAL CB C 7 28.610 28.610 30.815 -2.205 25830 6322 1 13 . 1 1 7 7 VAL H H 7 7.280 7.280 7.429 -0.149 25830 6323 1 13 . 1 1 8 8 SER N N 8 114.047 114.047 115.996 -1.949 25830 6324 1 13 . 1 1 8 8 SER HA H 8 3.858 3.858 4.071 -0.213 25830 6325 1 13 . 1 1 8 8 SER C C 8 173.948 173.948 176.171 -2.223 25830 6326 1 13 . 1 1 8 8 SER CA C 8 59.791 59.791 62.053 -2.262 25830 6327 1 13 . 1 1 8 8 SER CB C 8 59.242 59.242 62.796 -3.554 25830 6328 1 13 . 1 1 8 8 SER H H 8 8.501 8.501 7.975 0.526 25830 6329 1 13 . 1 1 9 9 ALA N N 9 123.669 123.669 123.048 0.621 25830 6330 1 13 . 1 1 9 9 ALA HA H 9 4.165 4.165 4.132 0.033 25830 6331 1 13 . 1 1 9 9 ALA C C 9 177.740 177.740 178.853 -1.113 25830 6332 1 13 . 1 1 9 9 ALA CA C 9 52.218 52.218 54.658 -2.440 25830 6333 1 13 . 1 1 9 9 ALA CB C 9 15.348 15.348 18.306 -2.958 25830 6334 1 13 . 1 1 9 9 ALA H H 9 7.685 7.685 7.612 0.073 25830 6335 1 13 . 1 1 10 10 ASP N N 10 118.653 118.653 116.777 1.876 25830 6336 1 13 . 1 1 10 10 ASP HA H 10 4.414 4.414 4.534 -0.120 25830 6337 1 13 . 1 1 10 10 ASP C C 10 173.327 173.327 177.389 -4.062 25830 6338 1 13 . 1 1 10 10 ASP CA C 10 53.357 53.357 56.311 -2.954 25830 6339 1 13 . 1 1 10 10 ASP CB C 10 35.579 35.579 41.358 -5.779 25830 6340 1 13 . 1 1 10 10 ASP H H 10 8.161 8.161 8.062 0.099 25830 6341 1 13 . 1 1 11 11 LEU N N 11 115.104 115.104 120.146 -5.042 25830 6342 1 13 . 1 1 11 11 LEU HA H 11 4.183 4.183 4.179 0.004 25830 6343 1 13 . 1 1 11 11 LEU C C 11 175.206 175.206 177.988 -2.782 25830 6344 1 13 . 1 1 11 11 LEU CA C 11 51.360 51.360 56.515 -5.155 25830 6345 1 13 . 1 1 11 11 LEU CB C 11 40.185 40.185 41.858 -1.673 25830 6346 1 13 . 1 1 11 11 LEU H H 11 7.731 7.731 7.682 0.049 25830 6347 1 13 . 1 1 12 12 ALA N N 12 124.133 124.133 122.749 1.384 25830 6348 1 13 . 1 1 12 12 ALA HA H 12 4.309 4.309 4.133 0.176 25830 6349 1 13 . 1 1 12 12 ALA C C 12 174.540 174.540 176.912 -2.372 25830 6350 1 13 . 1 1 12 12 ALA CA C 12 54.075 54.075 56.667 -2.592 25830 6351 1 13 . 1 1 12 12 ALA CB C 12 13.256 13.256 16.407 -3.151 25830 6352 1 13 . 1 1 12 12 ALA H H 12 7.481 7.481 7.790 -0.309 25830 6353 1 13 . 1 1 13 13 PRO HA H 13 4.674 4.674 4.480 0.194 25830 6354 1 13 . 1 1 13 13 PRO C C 13 174.824 174.824 176.628 -1.804 25830 6355 1 13 . 1 1 13 13 PRO CA C 13 61.982 61.982 64.495 -2.513 25830 6356 1 13 . 1 1 13 13 PRO CB C 13 28.804 28.804 31.239 -2.435 25830 6357 1 13 . 1 1 14 14 CYS N N 14 114.225 114.225 117.025 -2.800 25830 6358 1 13 . 1 1 14 14 CYS HA H 14 4.722 4.722 4.644 0.078 25830 6359 1 13 . 1 1 14 14 CYS C C 14 172.376 172.376 176.763 -4.387 25830 6360 1 13 . 1 1 14 14 CYS CA C 14 51.481 51.481 60.453 -8.973 25830 6361 1 13 . 1 1 14 14 CYS CB C 14 39.508 39.508 27.565 11.943 25830 6362 1 13 . 1 1 14 14 CYS H H 14 8.938 8.938 7.632 1.306 25830 6363 1 13 . 1 1 15 15 VAL N N 15 122.488 122.488 122.549 -0.061 25830 6364 1 13 . 1 1 15 15 VAL HA H 15 3.350 3.350 3.649 -0.299 25830 6365 1 13 . 1 1 15 15 VAL C C 15 173.644 173.644 177.945 -4.301 25830 6366 1 13 . 1 1 15 15 VAL CA C 15 66.608 66.608 65.799 0.809 25830 6367 1 13 . 1 1 15 15 VAL CB C 15 28.692 28.692 30.737 -2.045 25830 6368 1 13 . 1 1 15 15 VAL H H 15 7.767 7.767 8.209 -0.442 25830 6369 1 13 . 1 1 16 16 THR N N 16 112.169 112.169 114.657 -2.488 25830 6370 1 13 . 1 1 16 16 THR HA H 16 4.012 4.012 3.942 0.070 25830 6371 1 13 . 1 1 16 16 THR C C 16 175.021 175.021 176.358 -1.337 25830 6372 1 13 . 1 1 16 16 THR CA C 16 63.879 63.879 66.399 -2.520 25830 6373 1 13 . 1 1 16 16 THR CB C 16 65.364 65.364 68.827 -3.463 25830 6374 1 13 . 1 1 16 16 THR H H 16 8.258 8.258 7.981 0.277 25830 6375 1 13 . 1 1 17 17 TYR N N 17 124.563 124.563 121.446 3.117 25830 6376 1 13 . 1 1 17 17 TYR HA H 17 4.265 4.265 4.306 -0.041 25830 6377 1 13 . 1 1 17 17 TYR C C 17 174.326 174.326 177.858 -3.532 25830 6378 1 13 . 1 1 17 17 TYR CA C 17 58.001 58.001 60.783 -2.783 25830 6379 1 13 . 1 1 17 17 TYR CB C 17 35.252 35.252 38.361 -3.109 25830 6380 1 13 . 1 1 17 17 TYR H H 17 8.280 8.280 8.164 0.116 25830 6381 1 13 . 1 1 18 18 LEU N N 18 119.213 119.213 118.665 0.548 25830 6382 1 13 . 1 1 18 18 LEU HA H 18 3.630 3.630 3.851 -0.221 25830 6383 1 13 . 1 1 18 18 LEU C C 18 172.858 172.858 178.045 -5.187 25830 6384 1 13 . 1 1 18 18 LEU CA C 18 54.171 54.171 56.889 -2.718 25830 6385 1 13 . 1 1 18 18 LEU CB C 18 38.310 38.310 41.490 -3.180 25830 6386 1 13 . 1 1 18 18 LEU H H 18 8.394 8.394 8.086 0.308 25830 6387 1 13 . 1 1 19 19 GLN N N 19 114.782 114.782 114.595 0.187 25830 6388 1 13 . 1 1 19 19 GLN HA H 19 4.582 4.582 4.340 0.242 25830 6389 1 13 . 1 1 19 19 GLN C C 19 172.754 172.754 175.751 -2.997 25830 6390 1 13 . 1 1 19 19 GLN CA C 19 52.320 52.320 55.443 -3.123 25830 6391 1 13 . 1 1 19 19 GLN CB C 19 27.954 27.954 30.103 -2.149 25830 6392 1 13 . 1 1 19 19 GLN H H 19 7.319 7.319 7.492 -0.173 25830 6393 1 13 . 1 1 20 20 ALA N N 20 126.473 126.473 123.781 2.692 25830 6394 1 13 . 1 1 20 20 ALA HA H 20 4.494 4.494 4.557 -0.063 25830 6395 1 13 . 1 1 20 20 ALA C C 20 171.072 171.072 175.450 -4.378 25830 6396 1 13 . 1 1 20 20 ALA CA C 20 48.862 48.862 50.082 -1.220 25830 6397 1 13 . 1 1 20 20 ALA CB C 20 15.610 15.610 18.590 -2.980 25830 6398 1 13 . 1 1 20 20 ALA H H 20 7.292 7.292 7.183 0.109 25830 6399 1 13 . 1 1 21 21 PRO HA H 21 4.440 4.440 4.402 0.038 25830 6400 1 13 . 1 1 21 21 PRO C C 21 174.052 174.052 177.189 -3.137 25830 6401 1 13 . 1 1 21 21 PRO CA C 21 59.522 59.522 61.805 -2.283 25830 6402 1 13 . 1 1 21 21 PRO CB C 21 29.853 29.853 32.408 -2.555 25830 6403 1 13 . 1 1 22 22 ASN N N 22 117.448 117.448 116.928 0.520 25830 6404 1 13 . 1 1 22 22 ASN HA H 22 4.754 4.754 4.409 0.345 25830 6405 1 13 . 1 1 22 22 ASN C C 22 173.299 173.299 175.797 -2.498 25830 6406 1 13 . 1 1 22 22 ASN CA C 22 51.478 51.478 55.853 -4.375 25830 6407 1 13 . 1 1 22 22 ASN CB C 22 35.291 35.291 38.087 -2.796 25830 6408 1 13 . 1 1 22 22 ASN H H 22 8.466 8.466 8.645 -0.179 25830 6409 1 13 . 1 1 23 23 ASN N N 23 113.171 113.171 114.580 -1.409 25830 6410 1 13 . 1 1 23 23 ASN HA H 23 4.555 4.555 4.728 -0.173 25830 6411 1 13 . 1 1 23 23 ASN C C 23 172.210 172.210 174.926 -2.716 25830 6412 1 13 . 1 1 23 23 ASN CA C 23 50.626 50.626 52.192 -1.566 25830 6413 1 13 . 1 1 23 23 ASN CB C 23 34.278 34.278 37.740 -3.462 25830 6414 1 13 . 1 1 23 23 ASN H H 23 8.187 8.187 8.092 0.095 25830 6415 1 13 . 1 1 24 24 ALA N N 24 122.578 122.578 124.108 -1.530 25830 6416 1 13 . 1 1 24 24 ALA HA H 24 4.394 4.394 4.201 0.193 25830 6417 1 13 . 1 1 24 24 ALA C C 24 173.708 173.708 176.496 -2.788 25830 6418 1 13 . 1 1 24 24 ALA CA C 24 49.696 49.696 53.326 -3.630 25830 6419 1 13 . 1 1 24 24 ALA CB C 24 18.288 18.288 19.600 -1.312 25830 6420 1 13 . 1 1 24 24 ALA H H 24 7.381 7.381 7.517 -0.136 25830 6421 1 13 . 1 1 25 25 SER N N 25 115.237 115.237 116.251 -1.014 25830 6422 1 13 . 1 1 25 25 SER HA H 25 4.922 4.922 4.849 0.073 25830 6423 1 13 . 1 1 25 25 SER C C 25 181.107 181.107 172.234 8.873 25830 6424 1 13 . 1 1 25 25 SER CA C 25 53.033 53.033 56.089 -3.056 25830 6425 1 13 . 1 1 25 25 SER CB C 25 61.549 61.549 63.947 -2.398 25830 6426 1 13 . 1 1 25 25 SER H H 25 8.649 8.649 8.649 0.000 25830 6427 1 13 . 1 1 26 26 PRO HA H 26 4.014 4.014 4.314 -0.300 25830 6428 1 13 . 1 1 26 26 PRO CA C 26 57.292 57.292 62.286 -4.994 25830 6429 1 13 . 1 1 26 26 PRO CB C 26 27.450 27.450 31.094 -3.644 25830 6430 1 13 . 1 1 27 27 PRO HA H 27 4.881 4.881 4.799 0.082 25830 6431 1 13 . 1 1 27 27 PRO CA C 27 58.500 58.500 60.941 -2.441 25830 6432 1 13 . 1 1 27 27 PRO CB C 27 28.489 28.489 32.739 -4.250 25830 6433 1 13 . 1 1 28 28 PRO HA H 28 4.421 4.421 4.264 0.157 25830 6434 1 13 . 1 1 28 28 PRO CA C 28 64.505 64.505 66.936 -2.431 25830 6435 1 13 . 1 1 28 28 PRO CB C 28 26.217 26.217 29.600 -3.383 25830 6436 1 13 . 1 1 29 29 PRO HA H 29 4.477 4.477 4.289 0.188 25830 6437 1 13 . 1 1 29 29 PRO C C 29 177.330 177.330 178.751 -1.421 25830 6438 1 13 . 1 1 29 29 PRO CA C 29 62.883 62.883 65.602 -2.719 25830 6439 1 13 . 1 1 29 29 PRO CB C 29 28.301 28.301 31.170 -2.869 25830 6440 1 13 . 1 1 30 30 CYS N N 30 114.694 114.694 117.344 -2.650 25830 6441 1 13 . 1 1 30 30 CYS HA H 30 4.456 4.456 4.279 0.177 25830 6442 1 13 . 1 1 30 30 CYS C C 30 172.260 172.260 176.754 -4.494 25830 6443 1 13 . 1 1 30 30 CYS CA C 30 55.585 55.585 61.335 -5.750 25830 6444 1 13 . 1 1 30 30 CYS CB C 30 34.602 34.602 25.797 8.805 25830 6445 1 13 . 1 1 30 30 CYS H H 30 7.637 7.637 7.615 0.022 25830 6446 1 13 . 1 1 31 31 CYS N N 31 116.335 116.335 120.515 -4.180 25830 6447 1 13 . 1 1 31 31 CYS HA H 31 4.607 4.607 4.095 0.512 25830 6448 1 13 . 1 1 31 31 CYS C C 31 174.401 174.401 177.205 -2.804 25830 6449 1 13 . 1 1 31 31 CYS CA C 31 51.858 51.858 62.849 -10.991 25830 6450 1 13 . 1 1 31 31 CYS CB C 31 29.979 29.979 25.703 4.276 25830 6451 1 13 . 1 1 31 31 CYS H H 31 7.083 7.083 7.790 -0.707 25830 6452 1 13 . 1 1 32 32 ALA N N 32 121.738 121.738 121.309 0.429 25830 6453 1 13 . 1 1 32 32 ALA HA H 32 4.070 4.070 3.979 0.091 25830 6454 1 13 . 1 1 32 32 ALA C C 32 177.730 177.730 179.354 -1.624 25830 6455 1 13 . 1 1 32 32 ALA CA C 32 52.557 52.557 55.195 -2.638 25830 6456 1 13 . 1 1 32 32 ALA CB C 32 15.204 15.204 17.989 -2.785 25830 6457 1 13 . 1 1 32 32 ALA H H 32 8.481 8.481 8.183 0.298 25830 6458 1 13 . 1 1 33 33 GLY N N 33 108.715 108.715 106.891 1.824 25830 6459 1 13 . 1 1 33 33 GLY C C 33 172.825 172.825 176.130 -3.305 25830 6460 1 13 . 1 1 33 33 GLY CA C 33 44.748 44.748 47.279 -2.531 25830 6461 1 13 . 1 1 33 33 GLY H H 33 7.683 7.683 7.788 -0.105 25830 6462 1 13 . 1 1 34 34 VAL N N 34 121.079 121.079 121.341 -0.262 25830 6463 1 13 . 1 1 34 34 VAL HA H 34 3.489 3.489 3.649 -0.160 25830 6464 1 13 . 1 1 34 34 VAL C C 34 174.764 174.764 178.502 -3.738 25830 6465 1 13 . 1 1 34 34 VAL CA C 34 63.930 63.930 66.160 -2.230 25830 6466 1 13 . 1 1 34 34 VAL CB C 34 29.037 29.037 31.645 -2.608 25830 6467 1 13 . 1 1 34 34 VAL H H 34 8.085 8.085 7.578 0.507 25830 6468 1 13 . 1 1 35 35 LYS N N 35 117.845 117.845 119.174 -1.329 25830 6469 1 13 . 1 1 35 35 LYS HA H 35 3.814 3.814 4.040 -0.226 25830 6470 1 13 . 1 1 35 35 LYS C C 35 176.677 176.677 179.200 -2.523 25830 6471 1 13 . 1 1 35 35 LYS CA C 35 57.849 57.849 59.346 -1.498 25830 6472 1 13 . 1 1 35 35 LYS CB C 35 29.635 29.635 31.910 -2.275 25830 6473 1 13 . 1 1 35 35 LYS H H 35 8.089 8.089 7.565 0.524 25830 6474 1 13 . 1 1 36 36 LYS N N 36 120.507 120.507 120.543 -0.036 25830 6475 1 13 . 1 1 36 36 LYS HA H 36 3.946 3.946 4.093 -0.147 25830 6476 1 13 . 1 1 36 36 LYS C C 36 176.481 176.481 178.765 -2.284 25830 6477 1 13 . 1 1 36 36 LYS CA C 36 56.889 56.889 58.231 -1.342 25830 6478 1 13 . 1 1 36 36 LYS CB C 36 29.999 29.999 31.881 -1.883 25830 6479 1 13 . 1 1 36 36 LYS H H 36 7.940 7.940 7.868 0.072 25830 6480 1 13 . 1 1 37 37 LEU N N 37 121.929 121.929 119.805 2.124 25830 6481 1 13 . 1 1 37 37 LEU HA H 37 4.012 4.012 3.953 0.059 25830 6482 1 13 . 1 1 37 37 LEU C C 37 175.490 175.490 178.523 -3.033 25830 6483 1 13 . 1 1 37 37 LEU CA C 37 55.567 55.567 57.603 -2.036 25830 6484 1 13 . 1 1 37 37 LEU CB C 37 38.621 38.621 41.352 -2.731 25830 6485 1 13 . 1 1 37 37 LEU H H 37 7.882 7.882 7.714 0.168 25830 6486 1 13 . 1 1 38 38 LEU N N 38 117.061 117.061 119.877 -2.816 25830 6487 1 13 . 1 1 38 38 LEU HA H 38 4.050 4.050 3.991 0.059 25830 6488 1 13 . 1 1 38 38 LEU C C 38 177.275 177.275 178.557 -1.282 25830 6489 1 13 . 1 1 38 38 LEU CA C 38 54.535 54.535 57.883 -3.348 25830 6490 1 13 . 1 1 38 38 LEU CB C 38 38.448 38.448 41.176 -2.728 25830 6491 1 13 . 1 1 38 38 LEU H H 38 7.812 7.812 7.674 0.138 25830 6492 1 13 . 1 1 39 39 ALA N N 39 119.986 119.986 119.292 0.694 25830 6493 1 13 . 1 1 39 39 ALA HA H 39 4.105 4.105 4.267 -0.162 25830 6494 1 13 . 1 1 39 39 ALA C C 39 175.721 175.721 178.098 -2.377 25830 6495 1 13 . 1 1 39 39 ALA CA C 39 50.910 50.910 52.895 -1.984 25830 6496 1 13 . 1 1 39 39 ALA CB C 39 15.545 15.545 19.222 -3.677 25830 6497 1 13 . 1 1 39 39 ALA H H 39 7.914 7.914 7.613 0.301 25830 6498 1 13 . 1 1 40 40 ALA N N 40 118.015 118.015 121.437 -3.422 25830 6499 1 13 . 1 1 40 40 ALA HA H 40 4.266 4.266 4.242 0.024 25830 6500 1 13 . 1 1 40 40 ALA C C 40 174.416 174.416 177.959 -3.543 25830 6501 1 13 . 1 1 40 40 ALA CA C 40 49.886 49.886 53.363 -3.477 25830 6502 1 13 . 1 1 40 40 ALA CB C 40 16.330 16.330 19.247 -2.917 25830 6503 1 13 . 1 1 40 40 ALA H H 40 7.302 7.302 7.566 -0.264 25830 6504 1 13 . 1 1 41 41 ALA N N 41 122.389 122.389 121.004 1.385 25830 6505 1 13 . 1 1 41 41 ALA HA H 41 4.605 4.605 4.254 0.351 25830 6506 1 13 . 1 1 41 41 ALA C C 41 172.709 172.709 177.444 -4.735 25830 6507 1 13 . 1 1 41 41 ALA CA C 41 47.917 47.917 52.088 -4.171 25830 6508 1 13 . 1 1 41 41 ALA CB C 41 15.072 15.072 20.048 -4.976 25830 6509 1 13 . 1 1 41 41 ALA H H 41 7.304 7.304 7.613 -0.309 25830 6510 1 13 . 1 1 42 42 THR N N 42 113.142 113.142 112.357 0.785 25830 6511 1 13 . 1 1 42 42 THR HA H 42 4.422 4.422 4.274 0.148 25830 6512 1 13 . 1 1 42 42 THR C C 42 172.086 172.086 175.060 -2.974 25830 6513 1 13 . 1 1 42 42 THR CA C 42 59.772 59.772 63.195 -3.423 25830 6514 1 13 . 1 1 42 42 THR CB C 42 66.992 66.992 68.862 -1.870 25830 6515 1 13 . 1 1 42 42 THR H H 42 8.663 8.663 8.111 0.552 25830 6516 1 13 . 1 1 43 43 THR N N 43 111.501 111.501 111.840 -0.339 25830 6517 1 13 . 1 1 43 43 THR HA H 43 4.704 4.704 4.583 0.121 25830 6518 1 13 . 1 1 43 43 THR C C 43 172.283 172.283 175.135 -2.852 25830 6519 1 13 . 1 1 43 43 THR CA C 43 56.869 56.869 59.809 -2.940 25830 6520 1 13 . 1 1 43 43 THR CB C 43 69.211 69.211 71.619 -2.408 25830 6521 1 13 . 1 1 43 43 THR H H 43 7.705 7.705 7.497 0.208 25830 6522 1 13 . 1 1 44 44 THR N N 44 119.157 119.157 114.736 4.421 25830 6523 1 13 . 1 1 44 44 THR HA H 44 3.861 3.861 4.255 -0.394 25830 6524 1 13 . 1 1 44 44 THR CA C 44 66.420 66.420 67.236 -0.816 25830 6525 1 13 . 1 1 44 44 THR CB C 44 63.702 63.702 66.758 -3.056 25830 6526 1 13 . 1 1 44 44 THR H H 44 9.305 9.305 8.295 1.010 25830 6527 1 13 . 1 1 45 45 PRO HA H 45 4.345 4.345 4.243 0.102 25830 6528 1 13 . 1 1 45 45 PRO C C 45 177.238 177.238 178.313 -1.075 25830 6529 1 13 . 1 1 45 45 PRO CA C 45 63.192 63.192 64.989 -1.797 25830 6530 1 13 . 1 1 45 45 PRO CB C 45 28.232 28.232 31.011 -2.779 25830 6531 1 13 . 1 1 46 46 ASP N N 46 117.412 117.412 120.050 -2.638 25830 6532 1 13 . 1 1 46 46 ASP HA H 46 4.571 4.571 4.437 0.134 25830 6533 1 13 . 1 1 46 46 ASP C C 46 175.358 175.358 177.506 -2.148 25830 6534 1 13 . 1 1 46 46 ASP CA C 46 54.436 54.436 56.607 -2.171 25830 6535 1 13 . 1 1 46 46 ASP CB C 46 37.884 37.884 40.312 -2.428 25830 6536 1 13 . 1 1 46 46 ASP H H 46 7.238 7.238 8.249 -1.011 25830 6537 1 13 . 1 1 47 47 ARG N N 47 122.342 122.342 118.475 3.867 25830 6538 1 13 . 1 1 47 47 ARG HA H 47 3.754 3.754 4.007 -0.253 25830 6539 1 13 . 1 1 47 47 ARG C C 47 176.688 176.688 178.751 -2.063 25830 6540 1 13 . 1 1 47 47 ARG CA C 47 57.351 57.351 58.896 -1.545 25830 6541 1 13 . 1 1 47 47 ARG CB C 47 26.606 26.606 29.554 -2.948 25830 6542 1 13 . 1 1 47 47 ARG H H 47 8.383 8.383 7.413 0.970 25830 6543 1 13 . 1 1 48 48 GLN N N 48 120.813 120.813 119.200 1.613 25830 6544 1 13 . 1 1 48 48 GLN HA H 48 3.650 3.650 4.112 -0.462 25830 6545 1 13 . 1 1 48 48 GLN C C 48 175.354 175.354 177.520 -2.166 25830 6546 1 13 . 1 1 48 48 GLN CA C 48 56.742 56.742 58.533 -1.791 25830 6547 1 13 . 1 1 48 48 GLN CB C 48 25.406 25.406 28.556 -3.150 25830 6548 1 13 . 1 1 48 48 GLN H H 48 8.176 8.176 7.779 0.397 25830 6549 1 13 . 1 1 49 49 ALA N N 49 122.476 122.476 121.424 1.052 25830 6550 1 13 . 1 1 49 49 ALA HA H 49 4.224 4.224 3.915 0.309 25830 6551 1 13 . 1 1 49 49 ALA C C 49 177.581 177.581 178.800 -1.219 25830 6552 1 13 . 1 1 49 49 ALA CA C 49 52.410 52.410 54.807 -2.397 25830 6553 1 13 . 1 1 49 49 ALA CB C 49 15.305 15.305 18.175 -2.870 25830 6554 1 13 . 1 1 49 49 ALA H H 49 8.079 8.079 7.641 0.438 25830 6555 1 13 . 1 1 50 50 ALA N N 50 121.104 121.104 120.222 0.882 25830 6556 1 13 . 1 1 50 50 ALA HA H 50 3.686 3.686 4.008 -0.322 25830 6557 1 13 . 1 1 50 50 ALA C C 50 175.478 175.478 178.647 -3.169 25830 6558 1 13 . 1 1 50 50 ALA CA C 50 53.344 53.344 55.058 -1.714 25830 6559 1 13 . 1 1 50 50 ALA CB C 50 14.032 14.032 18.028 -3.996 25830 6560 1 13 . 1 1 50 50 ALA H H 50 8.494 8.494 7.594 0.900 25830 6561 1 13 . 1 1 51 51 CYS N N 51 117.063 117.063 116.471 0.592 25830 6562 1 13 . 1 1 51 51 CYS HA H 51 4.091 4.091 4.207 -0.116 25830 6563 1 13 . 1 1 51 51 CYS C C 51 173.692 173.692 176.573 -2.881 25830 6564 1 13 . 1 1 51 51 CYS CA C 51 57.660 57.660 60.748 -3.088 25830 6565 1 13 . 1 1 51 51 CYS CB C 51 34.278 34.278 25.652 8.626 25830 6566 1 13 . 1 1 51 51 CYS H H 51 7.466 7.466 8.018 -0.552 25830 6567 1 13 . 1 1 52 52 ASN N N 52 120.867 120.867 117.768 3.099 25830 6568 1 13 . 1 1 52 52 ASN HA H 52 4.403 4.403 4.507 -0.104 25830 6569 1 13 . 1 1 52 52 ASN C C 52 176.290 176.290 177.084 -0.794 25830 6570 1 13 . 1 1 52 52 ASN CA C 52 54.177 54.177 56.161 -1.984 25830 6571 1 13 . 1 1 52 52 ASN CB C 52 36.302 36.302 38.058 -1.756 25830 6572 1 13 . 1 1 52 52 ASN H H 52 8.164 8.164 7.440 0.724 25830 6573 1 13 . 1 1 53 53 CYS N N 53 119.542 119.542 119.888 -0.346 25830 6574 1 13 . 1 1 53 53 CYS HA H 53 4.543 4.543 4.222 0.321 25830 6575 1 13 . 1 1 53 53 CYS C C 53 175.294 175.294 176.955 -1.661 25830 6576 1 13 . 1 1 53 53 CYS CA C 53 53.637 53.637 62.198 -8.561 25830 6577 1 13 . 1 1 53 53 CYS CB C 53 34.302 34.302 26.049 8.254 25830 6578 1 13 . 1 1 53 53 CYS H H 53 8.974 8.974 7.890 1.084 25830 6579 1 13 . 1 1 54 54 LEU N N 54 124.510 124.510 118.806 5.704 25830 6580 1 13 . 1 1 54 54 LEU HA H 54 3.964 3.964 3.968 -0.004 25830 6581 1 13 . 1 1 54 54 LEU C C 54 175.082 175.082 179.077 -3.995 25830 6582 1 13 . 1 1 54 54 LEU CA C 54 55.725 55.725 58.113 -2.388 25830 6583 1 13 . 1 1 54 54 LEU CB C 54 39.035 39.035 40.820 -1.785 25830 6584 1 13 . 1 1 54 54 LEU H H 54 8.794 8.794 7.915 0.879 25830 6585 1 13 . 1 1 55 55 LYS N N 55 120.615 120.615 119.466 1.149 25830 6586 1 13 . 1 1 55 55 LYS HA H 55 3.929 3.929 4.021 -0.092 25830 6587 1 13 . 1 1 55 55 LYS C C 55 176.860 176.860 178.764 -1.904 25830 6588 1 13 . 1 1 55 55 LYS CA C 55 57.089 57.089 59.664 -2.575 25830 6589 1 13 . 1 1 55 55 LYS CB C 55 30.420 30.420 32.234 -1.814 25830 6590 1 13 . 1 1 55 55 LYS H H 55 8.119 8.119 7.518 0.601 25830 6591 1 13 . 1 1 56 56 SER N N 56 113.653 113.653 115.937 -2.284 25830 6592 1 13 . 1 1 56 56 SER HA H 56 4.202 4.202 4.201 0.001 25830 6593 1 13 . 1 1 56 56 SER C C 56 175.009 175.009 176.522 -1.513 25830 6594 1 13 . 1 1 56 56 SER CA C 56 58.397 58.397 61.348 -2.951 25830 6595 1 13 . 1 1 56 56 SER CB C 56 60.063 60.063 62.842 -2.779 25830 6596 1 13 . 1 1 56 56 SER H H 56 7.746 7.746 7.642 0.104 25830 6597 1 13 . 1 1 57 57 ALA N N 57 125.184 125.184 123.056 2.128 25830 6598 1 13 . 1 1 57 57 ALA HA H 57 4.073 4.073 3.963 0.110 25830 6599 1 13 . 1 1 57 57 ALA C C 57 177.735 177.735 179.179 -1.444 25830 6600 1 13 . 1 1 57 57 ALA CA C 57 52.222 52.222 54.688 -2.466 25830 6601 1 13 . 1 1 57 57 ALA CB C 57 14.710 14.710 18.338 -3.628 25830 6602 1 13 . 1 1 57 57 ALA H H 57 8.370 8.370 7.819 0.551 25830 6603 1 13 . 1 1 58 58 ALA N N 58 119.288 119.288 119.942 -0.654 25830 6604 1 13 . 1 1 58 58 ALA HA H 58 3.873 3.873 4.136 -0.263 25830 6605 1 13 . 1 1 58 58 ALA C C 58 176.201 176.201 180.095 -3.894 25830 6606 1 13 . 1 1 58 58 ALA CA C 58 52.154 52.154 54.616 -2.462 25830 6607 1 13 . 1 1 58 58 ALA CB C 58 13.944 13.944 18.228 -4.284 25830 6608 1 13 . 1 1 58 58 ALA H H 58 8.355 8.355 7.618 0.737 25830 6609 1 13 . 1 1 59 59 GLY N N 59 101.896 101.896 105.179 -3.283 25830 6610 1 13 . 1 1 59 59 GLY C C 59 171.619 171.619 175.499 -3.880 25830 6611 1 13 . 1 1 59 59 GLY CA C 59 43.245 43.245 46.292 -3.047 25830 6612 1 13 . 1 1 59 59 GLY H H 59 7.613 7.613 8.055 -0.442 25830 6613 1 13 . 1 1 60 60 SER N N 60 114.297 114.297 114.991 -0.694 25830 6614 1 13 . 1 1 60 60 SER HA H 60 4.548 4.548 4.477 0.071 25830 6615 1 13 . 1 1 60 60 SER C C 60 171.232 171.232 174.593 -3.361 25830 6616 1 13 . 1 1 60 60 SER CA C 60 55.817 55.817 58.043 -2.226 25830 6617 1 13 . 1 1 60 60 SER CB C 60 61.793 61.793 63.880 -2.087 25830 6618 1 13 . 1 1 60 60 SER H H 60 7.570 7.570 7.408 0.162 25830 6619 1 13 . 1 1 61 61 ILE N N 61 125.096 125.096 125.678 -0.582 25830 6620 1 13 . 1 1 61 61 ILE HA H 61 4.272 4.272 4.208 0.064 25830 6621 1 13 . 1 1 61 61 ILE C C 61 170.966 170.966 174.482 -3.516 25830 6622 1 13 . 1 1 61 61 ILE CA C 61 56.364 56.364 59.410 -3.046 25830 6623 1 13 . 1 1 61 61 ILE CB C 61 36.307 36.307 38.162 -1.855 25830 6624 1 13 . 1 1 61 61 ILE H H 61 7.222 7.222 7.475 -0.253 25830 6625 1 13 . 1 1 62 62 PRO HA H 62 4.317 4.317 4.478 -0.161 25830 6626 1 13 . 1 1 62 62 PRO C C 62 173.935 173.935 176.259 -2.324 25830 6627 1 13 . 1 1 62 62 PRO CA C 62 60.634 60.634 63.273 -2.639 25830 6628 1 13 . 1 1 62 62 PRO CB C 62 29.399 29.399 31.819 -2.420 25830 6629 1 13 . 1 1 63 63 LYS N N 63 115.837 115.837 117.382 -1.545 25830 6630 1 13 . 1 1 63 63 LYS HA H 63 3.916 3.916 3.833 0.083 25830 6631 1 13 . 1 1 63 63 LYS C C 63 172.800 172.800 176.427 -3.627 25830 6632 1 13 . 1 1 63 63 LYS CA C 63 53.303 53.303 56.807 -3.504 25830 6633 1 13 . 1 1 63 63 LYS CB C 63 26.973 26.973 30.122 -3.149 25830 6634 1 13 . 1 1 63 63 LYS H H 63 8.584 8.584 8.495 0.089 25830 6635 1 13 . 1 1 64 64 LEU N N 64 118.672 118.672 119.511 -0.839 25830 6636 1 13 . 1 1 64 64 LEU HA H 64 3.625 3.625 4.041 -0.416 25830 6637 1 13 . 1 1 64 64 LEU C C 64 173.690 173.690 176.473 -2.783 25830 6638 1 13 . 1 1 64 64 LEU CA C 64 53.929 53.929 55.813 -1.884 25830 6639 1 13 . 1 1 64 64 LEU CB C 64 39.878 39.878 42.396 -2.518 25830 6640 1 13 . 1 1 64 64 LEU H H 64 7.116 7.116 7.440 -0.324 25830 6641 1 13 . 1 1 65 65 ASN N N 65 125.562 125.562 125.269 0.293 25830 6642 1 13 . 1 1 65 65 ASN HA H 65 4.879 4.879 4.939 -0.060 25830 6643 1 13 . 1 1 65 65 ASN C C 65 174.338 174.338 176.013 -1.675 25830 6644 1 13 . 1 1 65 65 ASN CA C 65 48.862 48.862 51.785 -2.923 25830 6645 1 13 . 1 1 65 65 ASN CB C 65 34.238 34.238 38.765 -4.527 25830 6646 1 13 . 1 1 65 65 ASN H H 65 9.348 9.348 8.171 1.177 25830 6647 1 13 . 1 1 66 66 THR N N 66 118.448 118.448 117.717 0.731 25830 6648 1 13 . 1 1 66 66 THR HA H 66 3.840 3.840 3.916 -0.076 25830 6649 1 13 . 1 1 66 66 THR C C 66 174.820 174.820 176.186 -1.366 25830 6650 1 13 . 1 1 66 66 THR CA C 66 62.576 62.576 65.430 -2.854 25830 6651 1 13 . 1 1 66 66 THR CB C 66 65.348 65.348 68.779 -3.431 25830 6652 1 13 . 1 1 66 66 THR H H 66 8.735 8.735 8.256 0.479 25830 6653 1 13 . 1 1 67 67 ASN N N 67 121.545 121.545 118.673 2.872 25830 6654 1 13 . 1 1 67 67 ASN HA H 67 4.460 4.460 4.447 0.013 25830 6655 1 13 . 1 1 67 67 ASN C C 67 174.825 174.825 177.672 -2.847 25830 6656 1 13 . 1 1 67 67 ASN CA C 67 53.781 53.781 56.060 -2.279 25830 6657 1 13 . 1 1 67 67 ASN CB C 67 35.495 35.495 38.598 -3.103 25830 6658 1 13 . 1 1 67 67 ASN H H 67 8.229 8.229 8.312 -0.083 25830 6659 1 13 . 1 1 68 68 ASN N N 68 122.399 122.399 118.111 4.288 25830 6660 1 13 . 1 1 68 68 ASN HA H 68 4.463 4.463 4.471 -0.008 25830 6661 1 13 . 1 1 68 68 ASN C C 68 175.357 175.357 176.582 -1.225 25830 6662 1 13 . 1 1 68 68 ASN CA C 68 52.009 52.009 55.730 -3.721 25830 6663 1 13 . 1 1 68 68 ASN CB C 68 32.853 32.853 38.075 -5.222 25830 6664 1 13 . 1 1 68 68 ASN H H 68 7.153 7.153 7.989 -0.836 25830 6665 1 13 . 1 1 69 69 ALA N N 69 123.588 123.588 119.530 4.058 25830 6666 1 13 . 1 1 69 69 ALA HA H 69 3.930 3.930 4.179 -0.249 25830 6667 1 13 . 1 1 69 69 ALA C C 69 175.919 175.919 178.152 -2.233 25830 6668 1 13 . 1 1 69 69 ALA CA C 69 53.087 53.087 54.102 -1.015 25830 6669 1 13 . 1 1 69 69 ALA CB C 69 14.867 14.867 18.433 -3.566 25830 6670 1 13 . 1 1 69 69 ALA H H 69 7.942 7.942 7.440 0.502 25830 6671 1 13 . 1 1 70 70 ALA N N 70 117.736 117.736 119.876 -2.140 25830 6672 1 13 . 1 1 70 70 ALA HA H 70 4.250 4.250 4.214 0.036 25830 6673 1 13 . 1 1 70 70 ALA C C 70 176.704 176.704 178.627 -1.923 25830 6674 1 13 . 1 1 70 70 ALA CA C 70 51.706 51.706 54.311 -2.605 25830 6675 1 13 . 1 1 70 70 ALA CB C 70 15.507 15.507 19.401 -3.894 25830 6676 1 13 . 1 1 70 70 ALA H H 70 7.574 7.574 7.415 0.159 25830 6677 1 13 . 1 1 71 71 ALA N N 71 117.858 117.858 121.028 -3.170 25830 6678 1 13 . 1 1 71 71 ALA HA H 71 4.321 4.321 4.415 -0.094 25830 6679 1 13 . 1 1 71 71 ALA C C 71 175.190 175.190 179.217 -4.027 25830 6680 1 13 . 1 1 71 71 ALA CA C 71 50.142 50.142 53.841 -3.699 25830 6681 1 13 . 1 1 71 71 ALA CB C 71 16.908 16.908 18.416 -1.508 25830 6682 1 13 . 1 1 71 71 ALA H H 71 7.676 7.676 7.435 0.241 25830 6683 1 13 . 1 1 72 72 LEU N N 72 117.566 117.566 121.847 -4.281 25830 6684 1 13 . 1 1 72 72 LEU HA H 72 4.097 4.097 3.976 0.121 25830 6685 1 13 . 1 1 72 72 LEU C C 72 170.406 170.406 175.471 -5.065 25830 6686 1 13 . 1 1 72 72 LEU CA C 72 57.688 57.688 59.558 -1.870 25830 6687 1 13 . 1 1 72 72 LEU CB C 72 36.632 36.632 39.469 -2.837 25830 6688 1 13 . 1 1 72 72 LEU H H 72 7.494 7.494 7.915 -0.421 25830 6689 1 13 . 1 1 73 73 PRO HA H 73 3.793 3.793 4.324 -0.531 25830 6690 1 13 . 1 1 73 73 PRO C C 73 176.416 176.416 179.134 -2.718 25830 6691 1 13 . 1 1 73 73 PRO CA C 73 64.431 64.431 65.473 -1.042 25830 6692 1 13 . 1 1 73 73 PRO CB C 73 27.928 27.928 30.928 -3.000 25830 6693 1 13 . 1 1 74 74 GLY N N 74 106.170 106.170 107.493 -1.323 25830 6694 1 13 . 1 1 74 74 GLY C C 74 176.081 176.081 176.371 -0.290 25830 6695 1 13 . 1 1 74 74 GLY CA C 74 44.577 44.577 47.090 -2.513 25830 6696 1 13 . 1 1 74 74 GLY H H 74 8.374 8.374 7.864 0.510 25830 6697 1 13 . 1 1 75 75 LYS N N 75 121.379 121.379 119.865 1.514 25830 6698 1 13 . 1 1 75 75 LYS HA H 75 4.162 4.162 4.072 0.090 25830 6699 1 13 . 1 1 75 75 LYS C C 75 175.735 175.735 178.095 -2.360 25830 6700 1 13 . 1 1 75 75 LYS CA C 75 56.053 56.053 58.705 -2.652 25830 6701 1 13 . 1 1 75 75 LYS CB C 75 30.087 30.087 31.860 -1.773 25830 6702 1 13 . 1 1 75 75 LYS H H 75 8.417 8.417 8.458 -0.041 25830 6703 1 13 . 1 1 76 76 CYS N N 76 115.021 115.021 114.524 0.497 25830 6704 1 13 . 1 1 76 76 CYS HA H 76 4.895 4.895 4.495 0.400 25830 6705 1 13 . 1 1 76 76 CYS C C 76 172.300 172.300 175.572 -3.272 25830 6706 1 13 . 1 1 76 76 CYS CA C 76 49.730 49.730 59.649 -9.919 25830 6707 1 13 . 1 1 76 76 CYS CB C 76 32.817 32.817 27.152 5.665 25830 6708 1 13 . 1 1 76 76 CYS H H 76 7.756 7.756 8.048 -0.292 25830 6709 1 13 . 1 1 77 77 GLY N N 77 109.352 109.352 107.347 2.005 25830 6710 1 13 . 1 1 77 77 GLY C C 77 171.753 171.753 174.205 -2.452 25830 6711 1 13 . 1 1 77 77 GLY CA C 77 43.794 43.794 45.199 -1.405 25830 6712 1 13 . 1 1 77 77 GLY H H 77 7.894 7.894 7.781 0.113 25830 6713 1 13 . 1 1 78 78 VAL N N 78 115.528 115.528 116.734 -1.206 25830 6714 1 13 . 1 1 78 78 VAL HA H 78 4.491 4.491 4.439 0.052 25830 6715 1 13 . 1 1 78 78 VAL C C 78 171.256 171.256 174.643 -3.387 25830 6716 1 13 . 1 1 78 78 VAL CA C 78 56.800 56.800 60.994 -4.194 25830 6717 1 13 . 1 1 78 78 VAL CB C 78 31.741 31.741 32.633 -0.891 25830 6718 1 13 . 1 1 78 78 VAL H H 78 8.137 8.137 7.459 0.678 25830 6719 1 13 . 1 1 79 79 SER N N 79 116.418 116.418 120.659 -4.241 25830 6720 1 13 . 1 1 79 79 SER HA H 79 4.583 4.583 4.632 -0.049 25830 6721 1 13 . 1 1 79 79 SER C C 79 170.681 170.681 174.459 -3.778 25830 6722 1 13 . 1 1 79 79 SER CA C 79 54.258 54.258 57.334 -3.076 25830 6723 1 13 . 1 1 79 79 SER CB C 79 61.468 61.468 64.052 -2.584 25830 6724 1 13 . 1 1 79 79 SER H H 79 8.124 8.124 8.258 -0.134 25830 6725 1 13 . 1 1 80 80 ILE N N 80 120.257 120.257 124.085 -3.828 25830 6726 1 13 . 1 1 80 80 ILE HA H 80 4.639 4.639 4.501 0.138 25830 6727 1 13 . 1 1 80 80 ILE C C 80 172.830 172.830 174.564 -1.734 25830 6728 1 13 . 1 1 80 80 ILE CA C 80 55.333 55.333 57.349 -2.016 25830 6729 1 13 . 1 1 80 80 ILE CB C 80 38.093 38.093 37.300 0.793 25830 6730 1 13 . 1 1 80 80 ILE H H 80 8.089 8.089 8.317 -0.228 25830 6731 1 13 . 1 1 81 81 PRO HA H 81 4.547 4.547 4.327 0.220 25830 6732 1 13 . 1 1 81 81 PRO C C 81 171.325 171.325 175.972 -4.647 25830 6733 1 13 . 1 1 81 81 PRO CA C 81 60.903 60.903 64.198 -3.296 25830 6734 1 13 . 1 1 81 81 PRO CB C 81 27.693 27.693 32.506 -4.813 25830 6735 1 13 . 1 1 82 82 TYR N N 82 115.259 115.259 117.026 -1.767 25830 6736 1 13 . 1 1 82 82 TYR HA H 82 4.732 4.732 4.825 -0.093 25830 6737 1 13 . 1 1 82 82 TYR C C 82 170.187 170.187 174.163 -3.976 25830 6738 1 13 . 1 1 82 82 TYR CA C 82 51.930 51.930 55.186 -3.256 25830 6739 1 13 . 1 1 82 82 TYR CB C 82 37.275 37.275 39.453 -2.178 25830 6740 1 13 . 1 1 82 82 TYR H H 82 6.642 6.642 7.014 -0.372 25830 6741 1 13 . 1 1 83 83 LYS N N 83 116.992 116.992 119.755 -2.763 25830 6742 1 13 . 1 1 83 83 LYS HA H 83 4.464 4.464 4.631 -0.167 25830 6743 1 13 . 1 1 83 83 LYS C C 83 174.342 174.342 175.785 -1.443 25830 6744 1 13 . 1 1 83 83 LYS CA C 83 51.653 51.653 54.983 -3.330 25830 6745 1 13 . 1 1 83 83 LYS CB C 83 31.513 31.513 34.837 -3.324 25830 6746 1 13 . 1 1 83 83 LYS H H 83 8.301 8.301 8.410 -0.109 25830 6747 1 13 . 1 1 84 84 ILE N N 84 126.906 126.906 123.878 3.028 25830 6748 1 13 . 1 1 84 84 ILE HA H 84 3.913 3.913 4.280 -0.367 25830 6749 1 13 . 1 1 84 84 ILE C C 84 170.945 170.945 175.049 -4.104 25830 6750 1 13 . 1 1 84 84 ILE CA C 84 59.761 59.761 61.537 -1.776 25830 6751 1 13 . 1 1 84 84 ILE CB C 84 33.534 33.534 36.981 -3.447 25830 6752 1 13 . 1 1 84 84 ILE H H 84 9.304 9.304 8.568 0.736 25830 6753 1 13 . 1 1 85 85 SER N N 85 120.246 120.246 120.652 -0.406 25830 6754 1 13 . 1 1 85 85 SER HA H 85 4.563 4.563 4.882 -0.319 25830 6755 1 13 . 1 1 85 85 SER C C 85 171.695 171.695 174.986 -3.291 25830 6756 1 13 . 1 1 85 85 SER CA C 85 53.394 53.394 57.574 -4.180 25830 6757 1 13 . 1 1 85 85 SER CB C 85 61.638 61.638 66.635 -4.997 25830 6758 1 13 . 1 1 85 85 SER H H 85 7.256 7.256 7.988 -0.732 25830 6759 1 13 . 1 1 86 86 THR N N 86 115.458 115.458 114.869 0.589 25830 6760 1 13 . 1 1 86 86 THR HA H 86 4.147 4.147 4.121 0.026 25830 6761 1 13 . 1 1 86 86 THR C C 86 172.663 172.663 175.121 -2.458 25830 6762 1 13 . 1 1 86 86 THR CA C 86 61.527 61.527 64.061 -2.534 25830 6763 1 13 . 1 1 86 86 THR CB C 86 65.858 65.858 68.909 -3.050 25830 6764 1 13 . 1 1 86 86 THR H H 86 8.819 8.819 8.529 0.290 25830 6765 1 13 . 1 1 87 87 SER N N 87 114.029 114.029 114.481 -0.452 25830 6766 1 13 . 1 1 87 87 SER HA H 87 4.524 4.524 4.418 0.106 25830 6767 1 13 . 1 1 87 87 SER C C 87 172.010 172.010 175.003 -2.993 25830 6768 1 13 . 1 1 87 87 SER CA C 87 55.408 55.408 58.794 -3.386 25830 6769 1 13 . 1 1 87 87 SER CB C 87 61.144 61.144 63.538 -2.394 25830 6770 1 13 . 1 1 87 87 SER H H 87 8.239 8.239 7.848 0.391 25830 6771 1 13 . 1 1 88 88 THR N N 88 120.831 120.831 120.176 0.655 25830 6772 1 13 . 1 1 88 88 THR HA H 88 3.808 3.808 4.281 -0.473 25830 6773 1 13 . 1 1 88 88 THR C C 88 181.273 181.273 174.118 7.155 25830 6774 1 13 . 1 1 88 88 THR CA C 88 61.409 61.409 63.695 -2.286 25830 6775 1 13 . 1 1 88 88 THR CB C 88 67.556 67.556 69.623 -2.067 25830 6776 1 13 . 1 1 88 88 THR H H 88 7.142 7.142 7.297 -0.155 25830 6777 1 13 . 1 1 89 89 ASN N N 89 124.818 124.818 124.979 -0.161 25830 6778 1 13 . 1 1 89 89 ASN HA H 89 4.819 4.819 4.757 0.062 25830 6779 1 13 . 1 1 89 89 ASN C C 89 173.325 173.325 175.952 -2.627 25830 6780 1 13 . 1 1 89 89 ASN CA C 89 48.483 48.483 52.106 -3.623 25830 6781 1 13 . 1 1 89 89 ASN CB C 89 34.958 34.958 37.566 -2.608 25830 6782 1 13 . 1 1 89 89 ASN H H 89 8.754 8.754 8.661 0.093 25830 6783 1 13 . 1 1 90 90 CYS N N 90 123.361 123.361 122.600 0.761 25830 6784 1 13 . 1 1 90 90 CYS HA H 90 4.174 4.174 3.928 0.246 25830 6785 1 13 . 1 1 90 90 CYS C C 90 172.573 172.573 176.086 -3.513 25830 6786 1 13 . 1 1 90 90 CYS CA C 90 54.158 54.158 61.033 -6.875 25830 6787 1 13 . 1 1 90 90 CYS CB C 90 36.687 36.687 26.271 10.416 25830 6788 1 13 . 1 1 90 90 CYS H H 90 8.790 8.790 8.244 0.546 25830 6789 1 13 . 1 1 91 91 ASN N N 91 115.199 115.199 116.745 -1.546 25830 6790 1 13 . 1 1 91 91 ASN HA H 91 4.578 4.578 4.513 0.065 25830 6791 1 13 . 1 1 91 91 ASN C C 91 173.584 173.584 176.218 -2.634 25830 6792 1 13 . 1 1 91 91 ASN CA C 91 52.264 52.264 55.057 -2.793 25830 6793 1 13 . 1 1 91 91 ASN CB C 91 35.690 35.690 38.627 -2.937 25830 6794 1 13 . 1 1 91 91 ASN H H 91 8.320 8.320 8.059 0.261 25830 6795 1 13 . 1 1 92 92 THR N N 92 107.497 107.497 110.235 -2.738 25830 6796 1 13 . 1 1 92 92 THR HA H 92 4.388 4.388 4.359 0.029 25830 6797 1 13 . 1 1 92 92 THR C C 92 171.702 171.702 174.832 -3.130 25830 6798 1 13 . 1 1 92 92 THR CA C 92 58.280 58.280 61.358 -3.078 25830 6799 1 13 . 1 1 92 92 THR CB C 92 66.107 66.107 69.016 -2.909 25830 6800 1 13 . 1 1 92 92 THR H H 92 7.338 7.338 7.707 -0.369 25830 6801 1 13 . 1 1 93 93 VAL N N 93 123.151 123.151 121.840 1.311 25830 6802 1 13 . 1 1 93 93 VAL HA H 93 3.667 3.667 4.078 -0.411 25830 6803 1 13 . 1 1 93 93 VAL C C 93 172.207 172.207 176.030 -3.823 25830 6804 1 13 . 1 1 93 93 VAL CA C 93 59.846 59.846 61.138 -1.292 25830 6805 1 13 . 1 1 93 93 VAL CB C 93 29.999 29.999 33.028 -3.029 25830 6806 1 13 . 1 1 93 93 VAL H H 93 6.806 6.806 7.521 -0.715 25830 6807 1 13 . 1 1 94 94 ARG N N 94 127.129 127.129 124.864 2.265 25830 6808 1 13 . 1 1 94 94 ARG HA H 94 4.339 4.339 3.948 0.391 25830 6809 1 13 . 1 1 94 94 ARG C C 94 171.859 171.859 176.319 -4.460 25830 6810 1 13 . 1 1 94 94 ARG CA C 94 52.395 52.395 55.626 -3.231 25830 6811 1 13 . 1 1 94 94 ARG CB C 94 26.973 26.973 31.024 -4.051 25830 6812 1 13 . 1 1 94 94 ARG H H 94 8.201 8.201 8.404 -0.203 25830 6813 1 14 . 1 1 2 2 LEU N N 2 123.438 123.438 122.287 1.151 25830 6814 1 14 . 1 1 2 2 LEU HA H 2 4.344 4.344 4.632 -0.288 25830 6815 1 14 . 1 1 2 2 LEU C C 2 172.388 172.388 175.067 -2.679 25830 6816 1 14 . 1 1 2 2 LEU CA C 2 52.560 52.560 55.150 -2.590 25830 6817 1 14 . 1 1 2 2 LEU CB C 2 40.603 40.603 44.729 -4.126 25830 6818 1 14 . 1 1 2 2 LEU H H 2 8.368 8.368 8.206 0.162 25830 6819 1 14 . 1 1 3 3 SER N N 3 119.868 119.868 117.018 2.850 25830 6820 1 14 . 1 1 3 3 SER HA H 3 4.748 4.748 4.693 0.055 25830 6821 1 14 . 1 1 3 3 SER C C 3 173.163 173.163 175.680 -2.517 25830 6822 1 14 . 1 1 3 3 SER CA C 3 53.523 53.523 57.571 -4.048 25830 6823 1 14 . 1 1 3 3 SER CB C 3 62.412 62.412 64.977 -2.565 25830 6824 1 14 . 1 1 3 3 SER H H 3 8.550 8.550 8.373 0.177 25830 6825 1 14 . 1 1 4 4 CYS N N 4 120.408 120.408 126.434 -6.026 25830 6826 1 14 . 1 1 4 4 CYS HA H 4 4.586 4.586 4.277 0.309 25830 6827 1 14 . 1 1 4 4 CYS C C 4 175.067 175.067 177.001 -1.934 25830 6828 1 14 . 1 1 4 4 CYS CA C 4 52.166 52.166 60.607 -8.441 25830 6829 1 14 . 1 1 4 4 CYS CB C 4 30.372 30.372 27.087 3.285 25830 6830 1 14 . 1 1 4 4 CYS H H 4 9.222 9.222 8.948 0.274 25830 6831 1 14 . 1 1 5 5 GLY N N 5 110.663 110.663 106.481 4.182 25830 6832 1 14 . 1 1 5 5 GLY C C 5 174.023 174.023 175.304 -1.281 25830 6833 1 14 . 1 1 5 5 GLY CA C 5 44.577 44.577 47.047 -2.470 25830 6834 1 14 . 1 1 5 5 GLY H H 5 8.721 8.721 8.486 0.235 25830 6835 1 14 . 1 1 6 6 THR N N 6 118.884 118.884 115.044 3.840 25830 6836 1 14 . 1 1 6 6 THR HA H 6 4.031 4.031 4.505 -0.474 25830 6837 1 14 . 1 1 6 6 THR C C 6 172.782 172.782 176.640 -3.858 25830 6838 1 14 . 1 1 6 6 THR CA C 6 62.801 62.801 63.273 -0.472 25830 6839 1 14 . 1 1 6 6 THR CB C 6 65.896 65.896 69.528 -3.632 25830 6840 1 14 . 1 1 6 6 THR H H 6 7.676 7.676 7.731 -0.055 25830 6841 1 14 . 1 1 7 7 VAL N N 7 120.789 120.789 123.701 -2.912 25830 6842 1 14 . 1 1 7 7 VAL HA H 7 3.607 3.607 3.688 -0.081 25830 6843 1 14 . 1 1 7 7 VAL C C 7 174.356 174.356 177.513 -3.157 25830 6844 1 14 . 1 1 7 7 VAL CA C 7 63.774 63.774 66.362 -2.588 25830 6845 1 14 . 1 1 7 7 VAL CB C 7 28.610 28.610 30.930 -2.320 25830 6846 1 14 . 1 1 7 7 VAL H H 7 7.280 7.280 7.643 -0.363 25830 6847 1 14 . 1 1 8 8 SER N N 8 114.047 114.047 115.327 -1.280 25830 6848 1 14 . 1 1 8 8 SER HA H 8 3.858 3.858 4.148 -0.290 25830 6849 1 14 . 1 1 8 8 SER C C 8 173.948 173.948 175.270 -1.322 25830 6850 1 14 . 1 1 8 8 SER CA C 8 59.791 59.791 60.629 -0.838 25830 6851 1 14 . 1 1 8 8 SER CB C 8 59.242 59.242 62.658 -3.416 25830 6852 1 14 . 1 1 8 8 SER H H 8 8.501 8.501 7.931 0.570 25830 6853 1 14 . 1 1 9 9 ALA N N 9 123.669 123.669 122.809 0.860 25830 6854 1 14 . 1 1 9 9 ALA HA H 9 4.165 4.165 4.064 0.101 25830 6855 1 14 . 1 1 9 9 ALA C C 9 177.740 177.740 178.650 -0.910 25830 6856 1 14 . 1 1 9 9 ALA CA C 9 52.218 52.218 54.314 -2.096 25830 6857 1 14 . 1 1 9 9 ALA CB C 9 15.348 15.348 18.426 -3.078 25830 6858 1 14 . 1 1 9 9 ALA H H 9 7.685 7.685 7.459 0.226 25830 6859 1 14 . 1 1 10 10 ASP N N 10 118.653 118.653 115.724 2.929 25830 6860 1 14 . 1 1 10 10 ASP HA H 10 4.414 4.414 4.470 -0.056 25830 6861 1 14 . 1 1 10 10 ASP C C 10 173.327 173.327 177.670 -4.343 25830 6862 1 14 . 1 1 10 10 ASP CA C 10 53.357 53.357 56.286 -2.929 25830 6863 1 14 . 1 1 10 10 ASP CB C 10 35.579 35.579 41.451 -5.872 25830 6864 1 14 . 1 1 10 10 ASP H H 10 8.161 8.161 7.933 0.228 25830 6865 1 14 . 1 1 11 11 LEU N N 11 115.104 115.104 116.647 -1.543 25830 6866 1 14 . 1 1 11 11 LEU HA H 11 4.183 4.183 4.491 -0.308 25830 6867 1 14 . 1 1 11 11 LEU C C 11 175.206 175.206 177.996 -2.790 25830 6868 1 14 . 1 1 11 11 LEU CA C 11 51.360 51.360 56.370 -5.010 25830 6869 1 14 . 1 1 11 11 LEU CB C 11 40.185 40.185 41.606 -1.421 25830 6870 1 14 . 1 1 11 11 LEU H H 11 7.731 7.731 7.467 0.264 25830 6871 1 14 . 1 1 12 12 ALA N N 12 124.133 124.133 123.807 0.326 25830 6872 1 14 . 1 1 12 12 ALA HA H 12 4.309 4.309 4.103 0.206 25830 6873 1 14 . 1 1 12 12 ALA C C 12 174.540 174.540 177.857 -3.317 25830 6874 1 14 . 1 1 12 12 ALA CA C 12 54.075 54.075 56.544 -2.469 25830 6875 1 14 . 1 1 12 12 ALA CB C 12 13.256 13.256 16.227 -2.971 25830 6876 1 14 . 1 1 12 12 ALA H H 12 7.481 7.481 7.862 -0.381 25830 6877 1 14 . 1 1 13 13 PRO HA H 13 4.674 4.674 4.491 0.183 25830 6878 1 14 . 1 1 13 13 PRO C C 13 174.824 174.824 176.731 -1.907 25830 6879 1 14 . 1 1 13 13 PRO CA C 13 61.982 61.982 64.563 -2.581 25830 6880 1 14 . 1 1 13 13 PRO CB C 13 28.804 28.804 31.174 -2.370 25830 6881 1 14 . 1 1 14 14 CYS N N 14 114.225 114.225 116.700 -2.475 25830 6882 1 14 . 1 1 14 14 CYS HA H 14 4.722 4.722 4.720 0.002 25830 6883 1 14 . 1 1 14 14 CYS C C 14 172.376 172.376 176.594 -4.218 25830 6884 1 14 . 1 1 14 14 CYS CA C 14 51.481 51.481 59.960 -8.479 25830 6885 1 14 . 1 1 14 14 CYS CB C 14 39.508 39.508 26.974 12.534 25830 6886 1 14 . 1 1 14 14 CYS H H 14 8.938 8.938 7.646 1.292 25830 6887 1 14 . 1 1 15 15 VAL N N 15 122.488 122.488 122.637 -0.149 25830 6888 1 14 . 1 1 15 15 VAL HA H 15 3.350 3.350 3.570 -0.220 25830 6889 1 14 . 1 1 15 15 VAL C C 15 173.644 173.644 177.526 -3.882 25830 6890 1 14 . 1 1 15 15 VAL CA C 15 66.608 66.608 67.729 -1.121 25830 6891 1 14 . 1 1 15 15 VAL CB C 15 28.692 28.692 31.423 -2.731 25830 6892 1 14 . 1 1 15 15 VAL H H 15 7.767 7.767 7.804 -0.037 25830 6893 1 14 . 1 1 16 16 THR N N 16 112.169 112.169 113.984 -1.815 25830 6894 1 14 . 1 1 16 16 THR HA H 16 4.012 4.012 3.871 0.141 25830 6895 1 14 . 1 1 16 16 THR C C 16 175.021 175.021 176.022 -1.001 25830 6896 1 14 . 1 1 16 16 THR CA C 16 63.879 63.879 66.181 -2.302 25830 6897 1 14 . 1 1 16 16 THR CB C 16 65.364 65.364 68.923 -3.559 25830 6898 1 14 . 1 1 16 16 THR H H 16 8.258 8.258 8.317 -0.059 25830 6899 1 14 . 1 1 17 17 TYR N N 17 124.563 124.563 120.928 3.635 25830 6900 1 14 . 1 1 17 17 TYR HA H 17 4.265 4.265 4.224 0.041 25830 6901 1 14 . 1 1 17 17 TYR C C 17 174.326 174.326 177.744 -3.418 25830 6902 1 14 . 1 1 17 17 TYR CA C 17 58.001 58.001 60.636 -2.635 25830 6903 1 14 . 1 1 17 17 TYR CB C 17 35.252 35.252 38.041 -2.789 25830 6904 1 14 . 1 1 17 17 TYR H H 17 8.280 8.280 8.077 0.203 25830 6905 1 14 . 1 1 18 18 LEU N N 18 119.213 119.213 119.285 -0.072 25830 6906 1 14 . 1 1 18 18 LEU HA H 18 3.630 3.630 3.618 0.012 25830 6907 1 14 . 1 1 18 18 LEU C C 18 172.858 172.858 178.948 -6.090 25830 6908 1 14 . 1 1 18 18 LEU CA C 18 54.171 54.171 56.995 -2.824 25830 6909 1 14 . 1 1 18 18 LEU CB C 18 38.310 38.310 41.625 -3.315 25830 6910 1 14 . 1 1 18 18 LEU H H 18 8.394 8.394 8.055 0.339 25830 6911 1 14 . 1 1 19 19 GLN N N 19 114.782 114.782 115.038 -0.256 25830 6912 1 14 . 1 1 19 19 GLN HA H 19 4.582 4.582 4.244 0.338 25830 6913 1 14 . 1 1 19 19 GLN C C 19 172.754 172.754 175.927 -3.173 25830 6914 1 14 . 1 1 19 19 GLN CA C 19 52.320 52.320 55.130 -2.810 25830 6915 1 14 . 1 1 19 19 GLN CB C 19 27.954 27.954 28.045 -0.091 25830 6916 1 14 . 1 1 19 19 GLN H H 19 7.319 7.319 7.834 -0.515 25830 6917 1 14 . 1 1 20 20 ALA N N 20 126.473 126.473 122.926 3.547 25830 6918 1 14 . 1 1 20 20 ALA HA H 20 4.494 4.494 4.514 -0.020 25830 6919 1 14 . 1 1 20 20 ALA C C 20 171.072 171.072 176.012 -4.940 25830 6920 1 14 . 1 1 20 20 ALA CA C 20 48.862 48.862 50.025 -1.163 25830 6921 1 14 . 1 1 20 20 ALA CB C 20 15.610 15.610 18.533 -2.923 25830 6922 1 14 . 1 1 20 20 ALA H H 20 7.292 7.292 7.089 0.203 25830 6923 1 14 . 1 1 21 21 PRO HA H 21 4.440 4.440 4.409 0.031 25830 6924 1 14 . 1 1 21 21 PRO C C 21 174.052 174.052 177.160 -3.108 25830 6925 1 14 . 1 1 21 21 PRO CA C 21 59.522 59.522 61.758 -2.236 25830 6926 1 14 . 1 1 21 21 PRO CB C 21 29.853 29.853 32.369 -2.516 25830 6927 1 14 . 1 1 22 22 ASN N N 22 117.448 117.448 116.500 0.948 25830 6928 1 14 . 1 1 22 22 ASN HA H 22 4.754 4.754 4.431 0.323 25830 6929 1 14 . 1 1 22 22 ASN C C 22 173.299 173.299 175.587 -2.288 25830 6930 1 14 . 1 1 22 22 ASN CA C 22 51.478 51.478 54.875 -3.397 25830 6931 1 14 . 1 1 22 22 ASN CB C 22 35.291 35.291 38.166 -2.875 25830 6932 1 14 . 1 1 22 22 ASN H H 22 8.466 8.466 8.627 -0.161 25830 6933 1 14 . 1 1 23 23 ASN N N 23 113.171 113.171 116.820 -3.649 25830 6934 1 14 . 1 1 23 23 ASN HA H 23 4.555 4.555 4.734 -0.179 25830 6935 1 14 . 1 1 23 23 ASN C C 23 172.210 172.210 174.470 -2.260 25830 6936 1 14 . 1 1 23 23 ASN CA C 23 50.626 50.626 52.707 -2.081 25830 6937 1 14 . 1 1 23 23 ASN CB C 23 34.278 34.278 37.548 -3.270 25830 6938 1 14 . 1 1 23 23 ASN H H 23 8.187 8.187 8.084 0.103 25830 6939 1 14 . 1 1 24 24 ALA N N 24 122.578 122.578 122.808 -0.230 25830 6940 1 14 . 1 1 24 24 ALA HA H 24 4.394 4.394 4.542 -0.148 25830 6941 1 14 . 1 1 24 24 ALA C C 24 173.708 173.708 176.397 -2.689 25830 6942 1 14 . 1 1 24 24 ALA CA C 24 49.696 49.696 52.315 -2.619 25830 6943 1 14 . 1 1 24 24 ALA CB C 24 18.288 18.288 20.098 -1.810 25830 6944 1 14 . 1 1 24 24 ALA H H 24 7.381 7.381 7.495 -0.114 25830 6945 1 14 . 1 1 25 25 SER N N 25 115.237 115.237 117.009 -1.772 25830 6946 1 14 . 1 1 25 25 SER HA H 25 4.922 4.922 4.690 0.232 25830 6947 1 14 . 1 1 25 25 SER C C 25 181.107 181.107 171.902 9.205 25830 6948 1 14 . 1 1 25 25 SER CA C 25 53.033 53.033 54.931 -1.898 25830 6949 1 14 . 1 1 25 25 SER CB C 25 61.549 61.549 65.507 -3.958 25830 6950 1 14 . 1 1 25 25 SER H H 25 8.649 8.649 8.482 0.167 25830 6951 1 14 . 1 1 26 26 PRO HA H 26 4.014 4.014 4.198 -0.184 25830 6952 1 14 . 1 1 26 26 PRO CA C 26 57.292 57.292 60.995 -3.704 25830 6953 1 14 . 1 1 26 26 PRO CB C 26 27.450 27.450 30.725 -3.275 25830 6954 1 14 . 1 1 27 27 PRO HA H 27 4.881 4.881 4.498 0.383 25830 6955 1 14 . 1 1 27 27 PRO CA C 27 58.500 58.500 61.550 -3.050 25830 6956 1 14 . 1 1 27 27 PRO CB C 27 28.489 28.489 30.785 -2.296 25830 6957 1 14 . 1 1 28 28 PRO HA H 28 4.421 4.421 4.197 0.224 25830 6958 1 14 . 1 1 28 28 PRO CA C 28 64.505 64.505 67.121 -2.616 25830 6959 1 14 . 1 1 28 28 PRO CB C 28 26.217 26.217 29.303 -3.086 25830 6960 1 14 . 1 1 29 29 PRO HA H 29 4.477 4.477 4.312 0.165 25830 6961 1 14 . 1 1 29 29 PRO C C 29 177.330 177.330 178.892 -1.562 25830 6962 1 14 . 1 1 29 29 PRO CA C 29 62.883 62.883 65.573 -2.690 25830 6963 1 14 . 1 1 29 29 PRO CB C 29 28.301 28.301 31.002 -2.700 25830 6964 1 14 . 1 1 30 30 CYS N N 30 114.694 114.694 117.980 -3.286 25830 6965 1 14 . 1 1 30 30 CYS HA H 30 4.456 4.456 4.293 0.163 25830 6966 1 14 . 1 1 30 30 CYS C C 30 172.260 172.260 177.074 -4.814 25830 6967 1 14 . 1 1 30 30 CYS CA C 30 55.585 55.585 61.264 -5.679 25830 6968 1 14 . 1 1 30 30 CYS CB C 30 34.602 34.602 25.661 8.941 25830 6969 1 14 . 1 1 30 30 CYS H H 30 7.637 7.637 7.689 -0.052 25830 6970 1 14 . 1 1 31 31 CYS N N 31 116.335 116.335 120.376 -4.041 25830 6971 1 14 . 1 1 31 31 CYS HA H 31 4.607 4.607 4.101 0.506 25830 6972 1 14 . 1 1 31 31 CYS C C 31 174.401 174.401 177.255 -2.854 25830 6973 1 14 . 1 1 31 31 CYS CA C 31 51.858 51.858 63.063 -11.205 25830 6974 1 14 . 1 1 31 31 CYS CB C 31 29.979 29.979 25.811 4.168 25830 6975 1 14 . 1 1 31 31 CYS H H 31 7.083 7.083 8.322 -1.239 25830 6976 1 14 . 1 1 32 32 ALA N N 32 121.738 121.738 121.210 0.528 25830 6977 1 14 . 1 1 32 32 ALA HA H 32 4.070 4.070 3.981 0.089 25830 6978 1 14 . 1 1 32 32 ALA C C 32 177.730 177.730 179.353 -1.623 25830 6979 1 14 . 1 1 32 32 ALA CA C 32 52.557 52.557 55.133 -2.576 25830 6980 1 14 . 1 1 32 32 ALA CB C 32 15.204 15.204 18.034 -2.830 25830 6981 1 14 . 1 1 32 32 ALA H H 32 8.481 8.481 8.210 0.271 25830 6982 1 14 . 1 1 33 33 GLY N N 33 108.715 108.715 106.924 1.791 25830 6983 1 14 . 1 1 33 33 GLY C C 33 172.825 172.825 176.134 -3.309 25830 6984 1 14 . 1 1 33 33 GLY CA C 33 44.748 44.748 47.053 -2.305 25830 6985 1 14 . 1 1 33 33 GLY H H 33 7.683 7.683 7.671 0.012 25830 6986 1 14 . 1 1 34 34 VAL N N 34 121.079 121.079 121.199 -0.120 25830 6987 1 14 . 1 1 34 34 VAL HA H 34 3.489 3.489 3.565 -0.076 25830 6988 1 14 . 1 1 34 34 VAL C C 34 174.764 174.764 178.491 -3.727 25830 6989 1 14 . 1 1 34 34 VAL CA C 34 63.930 63.930 65.787 -1.857 25830 6990 1 14 . 1 1 34 34 VAL CB C 34 29.037 29.037 31.664 -2.627 25830 6991 1 14 . 1 1 34 34 VAL H H 34 8.085 8.085 7.533 0.552 25830 6992 1 14 . 1 1 35 35 LYS N N 35 117.845 117.845 119.018 -1.173 25830 6993 1 14 . 1 1 35 35 LYS HA H 35 3.814 3.814 4.055 -0.241 25830 6994 1 14 . 1 1 35 35 LYS C C 35 176.677 176.677 178.685 -2.008 25830 6995 1 14 . 1 1 35 35 LYS CA C 35 57.849 57.849 59.107 -1.258 25830 6996 1 14 . 1 1 35 35 LYS CB C 35 29.635 29.635 31.894 -2.259 25830 6997 1 14 . 1 1 35 35 LYS H H 35 8.089 8.089 7.639 0.450 25830 6998 1 14 . 1 1 36 36 LYS N N 36 120.507 120.507 120.691 -0.184 25830 6999 1 14 . 1 1 36 36 LYS HA H 36 3.946 3.946 4.018 -0.072 25830 7000 1 14 . 1 1 36 36 LYS C C 36 176.481 176.481 178.036 -1.555 25830 7001 1 14 . 1 1 36 36 LYS CA C 36 56.889 56.889 58.964 -2.075 25830 7002 1 14 . 1 1 36 36 LYS CB C 36 29.999 29.999 32.329 -2.330 25830 7003 1 14 . 1 1 36 36 LYS H H 36 7.940 7.940 7.886 0.054 25830 7004 1 14 . 1 1 37 37 LEU N N 37 121.929 121.929 120.532 1.397 25830 7005 1 14 . 1 1 37 37 LEU HA H 37 4.012 4.012 3.975 0.037 25830 7006 1 14 . 1 1 37 37 LEU C C 37 175.490 175.490 178.882 -3.392 25830 7007 1 14 . 1 1 37 37 LEU CA C 37 55.567 55.567 57.695 -2.128 25830 7008 1 14 . 1 1 37 37 LEU CB C 37 38.621 38.621 40.995 -2.374 25830 7009 1 14 . 1 1 37 37 LEU H H 37 7.882 7.882 7.476 0.406 25830 7010 1 14 . 1 1 38 38 LEU N N 38 117.061 117.061 119.253 -2.192 25830 7011 1 14 . 1 1 38 38 LEU HA H 38 4.050 4.050 4.017 0.033 25830 7012 1 14 . 1 1 38 38 LEU C C 38 177.275 177.275 178.174 -0.899 25830 7013 1 14 . 1 1 38 38 LEU CA C 38 54.535 54.535 57.737 -3.202 25830 7014 1 14 . 1 1 38 38 LEU CB C 38 38.448 38.448 40.892 -2.444 25830 7015 1 14 . 1 1 38 38 LEU H H 38 7.812 7.812 7.952 -0.140 25830 7016 1 14 . 1 1 39 39 ALA N N 39 119.986 119.986 118.487 1.499 25830 7017 1 14 . 1 1 39 39 ALA HA H 39 4.105 4.105 4.272 -0.167 25830 7018 1 14 . 1 1 39 39 ALA C C 39 175.721 175.721 178.405 -2.684 25830 7019 1 14 . 1 1 39 39 ALA CA C 39 50.910 50.910 52.562 -1.652 25830 7020 1 14 . 1 1 39 39 ALA CB C 39 15.545 15.545 18.925 -3.380 25830 7021 1 14 . 1 1 39 39 ALA H H 39 7.914 7.914 7.586 0.328 25830 7022 1 14 . 1 1 40 40 ALA N N 40 118.015 118.015 122.887 -4.872 25830 7023 1 14 . 1 1 40 40 ALA HA H 40 4.266 4.266 4.030 0.236 25830 7024 1 14 . 1 1 40 40 ALA C C 40 174.416 174.416 177.747 -3.331 25830 7025 1 14 . 1 1 40 40 ALA CA C 40 49.886 49.886 53.471 -3.585 25830 7026 1 14 . 1 1 40 40 ALA CB C 40 16.330 16.330 19.222 -2.892 25830 7027 1 14 . 1 1 40 40 ALA H H 40 7.302 7.302 7.627 -0.325 25830 7028 1 14 . 1 1 41 41 ALA N N 41 122.389 122.389 118.510 3.879 25830 7029 1 14 . 1 1 41 41 ALA HA H 41 4.605 4.605 4.201 0.404 25830 7030 1 14 . 1 1 41 41 ALA C C 41 172.709 172.709 177.261 -4.552 25830 7031 1 14 . 1 1 41 41 ALA CA C 41 47.917 47.917 52.171 -4.254 25830 7032 1 14 . 1 1 41 41 ALA CB C 41 15.072 15.072 20.315 -5.243 25830 7033 1 14 . 1 1 41 41 ALA H H 41 7.304 7.304 7.525 -0.221 25830 7034 1 14 . 1 1 42 42 THR N N 42 113.142 113.142 109.826 3.316 25830 7035 1 14 . 1 1 42 42 THR HA H 42 4.422 4.422 4.356 0.066 25830 7036 1 14 . 1 1 42 42 THR C C 42 172.086 172.086 175.017 -2.931 25830 7037 1 14 . 1 1 42 42 THR CA C 42 59.772 59.772 62.512 -2.740 25830 7038 1 14 . 1 1 42 42 THR CB C 42 66.992 66.992 69.415 -2.423 25830 7039 1 14 . 1 1 42 42 THR H H 42 8.663 8.663 8.323 0.340 25830 7040 1 14 . 1 1 43 43 THR N N 43 111.501 111.501 113.543 -2.042 25830 7041 1 14 . 1 1 43 43 THR HA H 43 4.704 4.704 4.566 0.138 25830 7042 1 14 . 1 1 43 43 THR C C 43 172.283 172.283 175.336 -3.053 25830 7043 1 14 . 1 1 43 43 THR CA C 43 56.869 56.869 60.496 -3.627 25830 7044 1 14 . 1 1 43 43 THR CB C 43 69.211 69.211 71.489 -2.277 25830 7045 1 14 . 1 1 43 43 THR H H 43 7.705 7.705 7.590 0.115 25830 7046 1 14 . 1 1 44 44 THR N N 44 119.157 119.157 115.732 3.425 25830 7047 1 14 . 1 1 44 44 THR HA H 44 3.861 3.861 4.358 -0.497 25830 7048 1 14 . 1 1 44 44 THR CA C 44 66.420 66.420 67.457 -1.038 25830 7049 1 14 . 1 1 44 44 THR CB C 44 63.702 63.702 67.391 -3.689 25830 7050 1 14 . 1 1 44 44 THR H H 44 9.305 9.305 8.511 0.794 25830 7051 1 14 . 1 1 45 45 PRO HA H 45 4.345 4.345 4.038 0.307 25830 7052 1 14 . 1 1 45 45 PRO C C 45 177.238 177.238 178.323 -1.085 25830 7053 1 14 . 1 1 45 45 PRO CA C 45 63.192 63.192 64.909 -1.717 25830 7054 1 14 . 1 1 45 45 PRO CB C 45 28.232 28.232 30.905 -2.673 25830 7055 1 14 . 1 1 46 46 ASP N N 46 117.412 117.412 120.174 -2.762 25830 7056 1 14 . 1 1 46 46 ASP HA H 46 4.571 4.571 4.382 0.189 25830 7057 1 14 . 1 1 46 46 ASP C C 46 175.358 175.358 177.431 -2.073 25830 7058 1 14 . 1 1 46 46 ASP CA C 46 54.436 54.436 56.713 -2.277 25830 7059 1 14 . 1 1 46 46 ASP CB C 46 37.884 37.884 40.376 -2.492 25830 7060 1 14 . 1 1 46 46 ASP H H 46 7.238 7.238 8.062 -0.824 25830 7061 1 14 . 1 1 47 47 ARG N N 47 122.342 122.342 118.742 3.600 25830 7062 1 14 . 1 1 47 47 ARG HA H 47 3.754 3.754 3.928 -0.174 25830 7063 1 14 . 1 1 47 47 ARG C C 47 176.688 176.688 178.116 -1.428 25830 7064 1 14 . 1 1 47 47 ARG CA C 47 57.351 57.351 58.782 -1.431 25830 7065 1 14 . 1 1 47 47 ARG CB C 47 26.606 26.606 29.568 -2.962 25830 7066 1 14 . 1 1 47 47 ARG H H 47 8.383 8.383 7.449 0.934 25830 7067 1 14 . 1 1 48 48 GLN N N 48 120.813 120.813 118.466 2.347 25830 7068 1 14 . 1 1 48 48 GLN HA H 48 3.650 3.650 4.053 -0.403 25830 7069 1 14 . 1 1 48 48 GLN C C 48 175.354 175.354 177.839 -2.485 25830 7070 1 14 . 1 1 48 48 GLN CA C 48 56.742 56.742 58.097 -1.355 25830 7071 1 14 . 1 1 48 48 GLN CB C 48 25.406 25.406 27.986 -2.580 25830 7072 1 14 . 1 1 48 48 GLN H H 48 8.176 8.176 7.579 0.597 25830 7073 1 14 . 1 1 49 49 ALA N N 49 122.476 122.476 121.113 1.363 25830 7074 1 14 . 1 1 49 49 ALA HA H 49 4.224 4.224 3.971 0.253 25830 7075 1 14 . 1 1 49 49 ALA C C 49 177.581 177.581 179.153 -1.572 25830 7076 1 14 . 1 1 49 49 ALA CA C 49 52.410 52.410 54.717 -2.307 25830 7077 1 14 . 1 1 49 49 ALA CB C 49 15.305 15.305 18.026 -2.721 25830 7078 1 14 . 1 1 49 49 ALA H H 49 8.079 8.079 7.619 0.460 25830 7079 1 14 . 1 1 50 50 ALA N N 50 121.104 121.104 120.039 1.065 25830 7080 1 14 . 1 1 50 50 ALA HA H 50 3.686 3.686 4.009 -0.323 25830 7081 1 14 . 1 1 50 50 ALA C C 50 175.478 175.478 178.736 -3.258 25830 7082 1 14 . 1 1 50 50 ALA CA C 50 53.344 53.344 55.008 -1.663 25830 7083 1 14 . 1 1 50 50 ALA CB C 50 14.032 14.032 17.933 -3.901 25830 7084 1 14 . 1 1 50 50 ALA H H 50 8.494 8.494 7.548 0.946 25830 7085 1 14 . 1 1 51 51 CYS N N 51 117.063 117.063 115.991 1.072 25830 7086 1 14 . 1 1 51 51 CYS HA H 51 4.091 4.091 4.291 -0.200 25830 7087 1 14 . 1 1 51 51 CYS C C 51 173.692 173.692 176.360 -2.668 25830 7088 1 14 . 1 1 51 51 CYS CA C 51 57.660 57.660 61.002 -3.342 25830 7089 1 14 . 1 1 51 51 CYS CB C 51 34.278 34.278 25.998 8.280 25830 7090 1 14 . 1 1 51 51 CYS H H 51 7.466 7.466 7.975 -0.509 25830 7091 1 14 . 1 1 52 52 ASN N N 52 120.867 120.867 117.208 3.659 25830 7092 1 14 . 1 1 52 52 ASN HA H 52 4.403 4.403 4.531 -0.128 25830 7093 1 14 . 1 1 52 52 ASN C C 52 176.290 176.290 176.782 -0.492 25830 7094 1 14 . 1 1 52 52 ASN CA C 52 54.177 54.177 56.187 -2.010 25830 7095 1 14 . 1 1 52 52 ASN CB C 52 36.302 36.302 38.195 -1.893 25830 7096 1 14 . 1 1 52 52 ASN H H 52 8.164 8.164 7.540 0.624 25830 7097 1 14 . 1 1 53 53 CYS N N 53 119.542 119.542 119.663 -0.121 25830 7098 1 14 . 1 1 53 53 CYS HA H 53 4.543 4.543 4.237 0.306 25830 7099 1 14 . 1 1 53 53 CYS C C 53 175.294 175.294 176.836 -1.542 25830 7100 1 14 . 1 1 53 53 CYS CA C 53 53.637 53.637 61.678 -8.041 25830 7101 1 14 . 1 1 53 53 CYS CB C 53 34.302 34.302 26.281 8.021 25830 7102 1 14 . 1 1 53 53 CYS H H 53 8.974 8.974 7.625 1.349 25830 7103 1 14 . 1 1 54 54 LEU N N 54 124.510 124.510 118.179 6.331 25830 7104 1 14 . 1 1 54 54 LEU HA H 54 3.964 3.964 4.034 -0.070 25830 7105 1 14 . 1 1 54 54 LEU C C 54 175.082 175.082 179.191 -4.109 25830 7106 1 14 . 1 1 54 54 LEU CA C 54 55.725 55.725 57.620 -1.895 25830 7107 1 14 . 1 1 54 54 LEU CB C 54 39.035 39.035 40.592 -1.557 25830 7108 1 14 . 1 1 54 54 LEU H H 54 8.794 8.794 7.950 0.844 25830 7109 1 14 . 1 1 55 55 LYS N N 55 120.615 120.615 119.370 1.245 25830 7110 1 14 . 1 1 55 55 LYS HA H 55 3.929 3.929 3.966 -0.037 25830 7111 1 14 . 1 1 55 55 LYS C C 55 176.860 176.860 178.598 -1.738 25830 7112 1 14 . 1 1 55 55 LYS CA C 55 57.089 57.089 58.985 -1.896 25830 7113 1 14 . 1 1 55 55 LYS CB C 55 30.420 30.420 32.194 -1.774 25830 7114 1 14 . 1 1 55 55 LYS H H 55 8.119 8.119 7.533 0.586 25830 7115 1 14 . 1 1 56 56 SER N N 56 113.653 113.653 115.893 -2.240 25830 7116 1 14 . 1 1 56 56 SER HA H 56 4.202 4.202 4.224 -0.022 25830 7117 1 14 . 1 1 56 56 SER C C 56 175.009 175.009 176.976 -1.967 25830 7118 1 14 . 1 1 56 56 SER CA C 56 58.397 58.397 61.148 -2.751 25830 7119 1 14 . 1 1 56 56 SER CB C 56 60.063 60.063 63.182 -3.119 25830 7120 1 14 . 1 1 56 56 SER H H 56 7.746 7.746 7.643 0.103 25830 7121 1 14 . 1 1 57 57 ALA N N 57 125.184 125.184 123.737 1.447 25830 7122 1 14 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.142 -0.069 25830 7123 1 14 . 1 1 57 57 ALA C C 57 177.735 177.735 179.346 -1.611 25830 7124 1 14 . 1 1 57 57 ALA CA C 57 52.222 52.222 54.541 -2.319 25830 7125 1 14 . 1 1 57 57 ALA CB C 57 14.710 14.710 18.342 -3.632 25830 7126 1 14 . 1 1 57 57 ALA H H 57 8.370 8.370 7.763 0.607 25830 7127 1 14 . 1 1 58 58 ALA N N 58 119.288 119.288 120.822 -1.534 25830 7128 1 14 . 1 1 58 58 ALA HA H 58 3.873 3.873 4.095 -0.222 25830 7129 1 14 . 1 1 58 58 ALA C C 58 176.201 176.201 179.689 -3.488 25830 7130 1 14 . 1 1 58 58 ALA CA C 58 52.154 52.154 54.614 -2.460 25830 7131 1 14 . 1 1 58 58 ALA CB C 58 13.944 13.944 18.448 -4.504 25830 7132 1 14 . 1 1 58 58 ALA H H 58 8.355 8.355 8.008 0.347 25830 7133 1 14 . 1 1 59 59 GLY N N 59 101.896 101.896 104.602 -2.706 25830 7134 1 14 . 1 1 59 59 GLY C C 59 171.619 171.619 174.617 -2.998 25830 7135 1 14 . 1 1 59 59 GLY CA C 59 43.245 43.245 45.608 -2.363 25830 7136 1 14 . 1 1 59 59 GLY H H 59 7.613 7.613 7.815 -0.202 25830 7137 1 14 . 1 1 60 60 SER N N 60 114.297 114.297 115.261 -0.964 25830 7138 1 14 . 1 1 60 60 SER HA H 60 4.548 4.548 4.562 -0.014 25830 7139 1 14 . 1 1 60 60 SER C C 60 171.232 171.232 174.026 -2.794 25830 7140 1 14 . 1 1 60 60 SER CA C 60 55.817 55.817 57.562 -1.746 25830 7141 1 14 . 1 1 60 60 SER CB C 60 61.793 61.793 64.311 -2.518 25830 7142 1 14 . 1 1 60 60 SER H H 60 7.570 7.570 8.042 -0.472 25830 7143 1 14 . 1 1 61 61 ILE N N 61 125.096 125.096 125.706 -0.610 25830 7144 1 14 . 1 1 61 61 ILE HA H 61 4.272 4.272 4.463 -0.191 25830 7145 1 14 . 1 1 61 61 ILE C C 61 170.966 170.966 174.231 -3.265 25830 7146 1 14 . 1 1 61 61 ILE CA C 61 56.364 56.364 58.293 -1.929 25830 7147 1 14 . 1 1 61 61 ILE CB C 61 36.307 36.307 39.041 -2.733 25830 7148 1 14 . 1 1 61 61 ILE H H 61 7.222 7.222 7.417 -0.195 25830 7149 1 14 . 1 1 62 62 PRO HA H 62 4.317 4.317 4.400 -0.083 25830 7150 1 14 . 1 1 62 62 PRO C C 62 173.935 173.935 176.221 -2.286 25830 7151 1 14 . 1 1 62 62 PRO CA C 62 60.634 60.634 63.227 -2.593 25830 7152 1 14 . 1 1 62 62 PRO CB C 62 29.399 29.399 31.826 -2.427 25830 7153 1 14 . 1 1 63 63 LYS N N 63 115.837 115.837 116.827 -0.990 25830 7154 1 14 . 1 1 63 63 LYS HA H 63 3.916 3.916 3.863 0.053 25830 7155 1 14 . 1 1 63 63 LYS C C 63 172.800 172.800 175.896 -3.096 25830 7156 1 14 . 1 1 63 63 LYS CA C 63 53.303 53.303 56.584 -3.281 25830 7157 1 14 . 1 1 63 63 LYS CB C 63 26.973 26.973 29.584 -2.611 25830 7158 1 14 . 1 1 63 63 LYS H H 63 8.584 8.584 8.487 0.097 25830 7159 1 14 . 1 1 64 64 LEU N N 64 118.672 118.672 121.259 -2.587 25830 7160 1 14 . 1 1 64 64 LEU HA H 64 3.625 3.625 4.231 -0.606 25830 7161 1 14 . 1 1 64 64 LEU C C 64 173.690 173.690 176.850 -3.160 25830 7162 1 14 . 1 1 64 64 LEU CA C 64 53.929 53.929 55.803 -1.873 25830 7163 1 14 . 1 1 64 64 LEU CB C 64 39.878 39.878 42.333 -2.455 25830 7164 1 14 . 1 1 64 64 LEU H H 64 7.116 7.116 7.404 -0.288 25830 7165 1 14 . 1 1 65 65 ASN N N 65 125.562 125.562 124.774 0.788 25830 7166 1 14 . 1 1 65 65 ASN HA H 65 4.879 4.879 4.817 0.062 25830 7167 1 14 . 1 1 65 65 ASN C C 65 174.338 174.338 176.057 -1.719 25830 7168 1 14 . 1 1 65 65 ASN CA C 65 48.862 48.862 52.163 -3.301 25830 7169 1 14 . 1 1 65 65 ASN CB C 65 34.238 34.238 38.722 -4.484 25830 7170 1 14 . 1 1 65 65 ASN H H 65 9.348 9.348 8.318 1.030 25830 7171 1 14 . 1 1 66 66 THR N N 66 118.448 118.448 117.666 0.782 25830 7172 1 14 . 1 1 66 66 THR HA H 66 3.840 3.840 3.904 -0.064 25830 7173 1 14 . 1 1 66 66 THR C C 66 174.820 174.820 175.955 -1.135 25830 7174 1 14 . 1 1 66 66 THR CA C 66 62.576 62.576 65.988 -3.412 25830 7175 1 14 . 1 1 66 66 THR CB C 66 65.348 65.348 68.985 -3.637 25830 7176 1 14 . 1 1 66 66 THR H H 66 8.735 8.735 7.940 0.795 25830 7177 1 14 . 1 1 67 67 ASN N N 67 121.545 121.545 118.174 3.371 25830 7178 1 14 . 1 1 67 67 ASN HA H 67 4.460 4.460 4.460 -0.000 25830 7179 1 14 . 1 1 67 67 ASN C C 67 174.825 174.825 177.486 -2.661 25830 7180 1 14 . 1 1 67 67 ASN CA C 67 53.781 53.781 56.154 -2.373 25830 7181 1 14 . 1 1 67 67 ASN CB C 67 35.495 35.495 38.462 -2.967 25830 7182 1 14 . 1 1 67 67 ASN H H 67 8.229 8.229 8.537 -0.308 25830 7183 1 14 . 1 1 68 68 ASN N N 68 122.399 122.399 118.267 4.132 25830 7184 1 14 . 1 1 68 68 ASN HA H 68 4.463 4.463 4.472 -0.009 25830 7185 1 14 . 1 1 68 68 ASN C C 68 175.357 175.357 176.290 -0.933 25830 7186 1 14 . 1 1 68 68 ASN CA C 68 52.009 52.009 55.446 -3.437 25830 7187 1 14 . 1 1 68 68 ASN CB C 68 32.853 32.853 37.963 -5.110 25830 7188 1 14 . 1 1 68 68 ASN H H 68 7.153 7.153 8.116 -0.963 25830 7189 1 14 . 1 1 69 69 ALA N N 69 123.588 123.588 119.862 3.726 25830 7190 1 14 . 1 1 69 69 ALA HA H 69 3.930 3.930 4.095 -0.165 25830 7191 1 14 . 1 1 69 69 ALA C C 69 175.919 175.919 178.539 -2.620 25830 7192 1 14 . 1 1 69 69 ALA CA C 69 53.087 53.087 54.521 -1.434 25830 7193 1 14 . 1 1 69 69 ALA CB C 69 14.867 14.867 18.387 -3.520 25830 7194 1 14 . 1 1 69 69 ALA H H 69 7.942 7.942 7.353 0.589 25830 7195 1 14 . 1 1 70 70 ALA N N 70 117.736 117.736 119.301 -1.565 25830 7196 1 14 . 1 1 70 70 ALA HA H 70 4.250 4.250 4.264 -0.014 25830 7197 1 14 . 1 1 70 70 ALA C C 70 176.704 176.704 178.852 -2.148 25830 7198 1 14 . 1 1 70 70 ALA CA C 70 51.706 51.706 54.382 -2.676 25830 7199 1 14 . 1 1 70 70 ALA CB C 70 15.507 15.507 18.777 -3.271 25830 7200 1 14 . 1 1 70 70 ALA H H 70 7.574 7.574 7.464 0.110 25830 7201 1 14 . 1 1 71 71 ALA N N 71 117.858 117.858 120.984 -3.126 25830 7202 1 14 . 1 1 71 71 ALA HA H 71 4.321 4.321 4.392 -0.071 25830 7203 1 14 . 1 1 71 71 ALA C C 71 175.190 175.190 179.211 -4.021 25830 7204 1 14 . 1 1 71 71 ALA CA C 71 50.142 50.142 53.758 -3.616 25830 7205 1 14 . 1 1 71 71 ALA CB C 71 16.908 16.908 18.445 -1.536 25830 7206 1 14 . 1 1 71 71 ALA H H 71 7.676 7.676 7.485 0.191 25830 7207 1 14 . 1 1 72 72 LEU N N 72 117.566 117.566 122.208 -4.642 25830 7208 1 14 . 1 1 72 72 LEU HA H 72 4.097 4.097 4.155 -0.058 25830 7209 1 14 . 1 1 72 72 LEU C C 72 170.406 170.406 175.411 -5.005 25830 7210 1 14 . 1 1 72 72 LEU CA C 72 57.688 57.688 59.603 -1.915 25830 7211 1 14 . 1 1 72 72 LEU CB C 72 36.632 36.632 39.713 -3.081 25830 7212 1 14 . 1 1 72 72 LEU H H 72 7.494 7.494 7.695 -0.201 25830 7213 1 14 . 1 1 73 73 PRO HA H 73 3.793 3.793 4.320 -0.527 25830 7214 1 14 . 1 1 73 73 PRO C C 73 176.416 176.416 179.219 -2.803 25830 7215 1 14 . 1 1 73 73 PRO CA C 73 64.431 64.431 65.709 -1.278 25830 7216 1 14 . 1 1 73 73 PRO CB C 73 27.928 27.928 30.879 -2.951 25830 7217 1 14 . 1 1 74 74 GLY N N 74 106.170 106.170 107.811 -1.641 25830 7218 1 14 . 1 1 74 74 GLY C C 74 176.081 176.081 177.046 -0.965 25830 7219 1 14 . 1 1 74 74 GLY CA C 74 44.577 44.577 47.019 -2.442 25830 7220 1 14 . 1 1 74 74 GLY H H 74 8.374 8.374 7.854 0.520 25830 7221 1 14 . 1 1 75 75 LYS N N 75 121.379 121.379 120.879 0.500 25830 7222 1 14 . 1 1 75 75 LYS HA H 75 4.162 4.162 4.043 0.119 25830 7223 1 14 . 1 1 75 75 LYS C C 75 175.735 175.735 178.038 -2.303 25830 7224 1 14 . 1 1 75 75 LYS CA C 75 56.053 56.053 58.595 -2.542 25830 7225 1 14 . 1 1 75 75 LYS CB C 75 30.087 30.087 32.365 -2.279 25830 7226 1 14 . 1 1 75 75 LYS H H 75 8.417 8.417 8.341 0.076 25830 7227 1 14 . 1 1 76 76 CYS N N 76 115.021 115.021 115.533 -0.512 25830 7228 1 14 . 1 1 76 76 CYS HA H 76 4.895 4.895 4.444 0.451 25830 7229 1 14 . 1 1 76 76 CYS C C 76 172.300 172.300 176.387 -4.087 25830 7230 1 14 . 1 1 76 76 CYS CA C 76 49.730 49.730 60.264 -10.534 25830 7231 1 14 . 1 1 76 76 CYS CB C 76 32.817 32.817 27.605 5.212 25830 7232 1 14 . 1 1 76 76 CYS H H 76 7.756 7.756 7.648 0.108 25830 7233 1 14 . 1 1 77 77 GLY N N 77 109.352 109.352 108.130 1.222 25830 7234 1 14 . 1 1 77 77 GLY C C 77 171.753 171.753 174.142 -2.389 25830 7235 1 14 . 1 1 77 77 GLY CA C 77 43.794 43.794 45.106 -1.312 25830 7236 1 14 . 1 1 77 77 GLY H H 77 7.894 7.894 8.143 -0.249 25830 7237 1 14 . 1 1 78 78 VAL N N 78 115.528 115.528 116.549 -1.021 25830 7238 1 14 . 1 1 78 78 VAL HA H 78 4.491 4.491 4.442 0.049 25830 7239 1 14 . 1 1 78 78 VAL C C 78 171.256 171.256 174.920 -3.664 25830 7240 1 14 . 1 1 78 78 VAL CA C 78 56.800 56.800 61.243 -4.443 25830 7241 1 14 . 1 1 78 78 VAL CB C 78 31.741 31.741 32.753 -1.012 25830 7242 1 14 . 1 1 78 78 VAL H H 78 8.137 8.137 7.478 0.659 25830 7243 1 14 . 1 1 79 79 SER N N 79 116.418 116.418 120.148 -3.730 25830 7244 1 14 . 1 1 79 79 SER HA H 79 4.583 4.583 4.707 -0.124 25830 7245 1 14 . 1 1 79 79 SER C C 79 170.681 170.681 173.527 -2.846 25830 7246 1 14 . 1 1 79 79 SER CA C 79 54.258 54.258 57.414 -3.156 25830 7247 1 14 . 1 1 79 79 SER CB C 79 61.468 61.468 63.868 -2.400 25830 7248 1 14 . 1 1 79 79 SER H H 79 8.124 8.124 8.368 -0.244 25830 7249 1 14 . 1 1 80 80 ILE N N 80 120.257 120.257 121.628 -1.371 25830 7250 1 14 . 1 1 80 80 ILE HA H 80 4.639 4.639 4.576 0.063 25830 7251 1 14 . 1 1 80 80 ILE C C 80 172.830 172.830 174.230 -1.400 25830 7252 1 14 . 1 1 80 80 ILE CA C 80 55.333 55.333 58.176 -2.843 25830 7253 1 14 . 1 1 80 80 ILE CB C 80 38.093 38.093 39.268 -1.175 25830 7254 1 14 . 1 1 80 80 ILE H H 80 8.089 8.089 8.125 -0.036 25830 7255 1 14 . 1 1 81 81 PRO HA H 81 4.547 4.547 4.366 0.181 25830 7256 1 14 . 1 1 81 81 PRO C C 81 171.325 171.325 175.944 -4.619 25830 7257 1 14 . 1 1 81 81 PRO CA C 81 60.903 60.903 63.965 -3.062 25830 7258 1 14 . 1 1 81 81 PRO CB C 81 27.693 27.693 32.128 -4.435 25830 7259 1 14 . 1 1 82 82 TYR N N 82 115.259 115.259 116.630 -1.371 25830 7260 1 14 . 1 1 82 82 TYR HA H 82 4.732 4.732 4.597 0.135 25830 7261 1 14 . 1 1 82 82 TYR C C 82 170.187 170.187 174.960 -4.773 25830 7262 1 14 . 1 1 82 82 TYR CA C 82 51.930 51.930 57.092 -5.162 25830 7263 1 14 . 1 1 82 82 TYR CB C 82 37.275 37.275 40.764 -3.489 25830 7264 1 14 . 1 1 82 82 TYR H H 82 6.642 6.642 7.771 -1.129 25830 7265 1 14 . 1 1 83 83 LYS N N 83 116.992 116.992 121.780 -4.788 25830 7266 1 14 . 1 1 83 83 LYS HA H 83 4.464 4.464 4.407 0.057 25830 7267 1 14 . 1 1 83 83 LYS C C 83 174.342 174.342 175.943 -1.601 25830 7268 1 14 . 1 1 83 83 LYS CA C 83 51.653 51.653 56.133 -4.480 25830 7269 1 14 . 1 1 83 83 LYS CB C 83 31.513 31.513 33.415 -1.902 25830 7270 1 14 . 1 1 83 83 LYS H H 83 8.301 8.301 8.419 -0.118 25830 7271 1 14 . 1 1 84 84 ILE N N 84 126.906 126.906 120.871 6.035 25830 7272 1 14 . 1 1 84 84 ILE HA H 84 3.913 3.913 4.313 -0.400 25830 7273 1 14 . 1 1 84 84 ILE C C 84 170.945 170.945 175.012 -4.067 25830 7274 1 14 . 1 1 84 84 ILE CA C 84 59.761 59.761 60.996 -1.235 25830 7275 1 14 . 1 1 84 84 ILE CB C 84 33.534 33.534 37.713 -4.179 25830 7276 1 14 . 1 1 84 84 ILE H H 84 9.304 9.304 8.609 0.695 25830 7277 1 14 . 1 1 85 85 SER N N 85 120.246 120.246 121.376 -1.130 25830 7278 1 14 . 1 1 85 85 SER HA H 85 4.563 4.563 4.843 -0.280 25830 7279 1 14 . 1 1 85 85 SER C C 85 171.695 171.695 174.809 -3.114 25830 7280 1 14 . 1 1 85 85 SER CA C 85 53.394 53.394 57.213 -3.819 25830 7281 1 14 . 1 1 85 85 SER CB C 85 61.638 61.638 65.871 -4.233 25830 7282 1 14 . 1 1 85 85 SER H H 85 7.256 7.256 8.334 -1.078 25830 7283 1 14 . 1 1 86 86 THR N N 86 115.458 115.458 116.226 -0.768 25830 7284 1 14 . 1 1 86 86 THR HA H 86 4.147 4.147 4.229 -0.082 25830 7285 1 14 . 1 1 86 86 THR C C 86 172.663 172.663 175.048 -2.385 25830 7286 1 14 . 1 1 86 86 THR CA C 86 61.527 61.527 64.572 -3.045 25830 7287 1 14 . 1 1 86 86 THR CB C 86 65.858 65.858 68.886 -3.028 25830 7288 1 14 . 1 1 86 86 THR H H 86 8.819 8.819 8.601 0.218 25830 7289 1 14 . 1 1 87 87 SER N N 87 114.029 114.029 114.487 -0.458 25830 7290 1 14 . 1 1 87 87 SER HA H 87 4.524 4.524 4.470 0.054 25830 7291 1 14 . 1 1 87 87 SER C C 87 172.010 172.010 174.727 -2.717 25830 7292 1 14 . 1 1 87 87 SER CA C 87 55.408 55.408 58.228 -2.820 25830 7293 1 14 . 1 1 87 87 SER CB C 87 61.144 61.144 63.432 -2.288 25830 7294 1 14 . 1 1 87 87 SER H H 87 8.239 8.239 7.826 0.413 25830 7295 1 14 . 1 1 88 88 THR N N 88 120.831 120.831 118.251 2.580 25830 7296 1 14 . 1 1 88 88 THR HA H 88 3.808 3.808 4.308 -0.500 25830 7297 1 14 . 1 1 88 88 THR C C 88 181.273 181.273 173.892 7.381 25830 7298 1 14 . 1 1 88 88 THR CA C 88 61.409 61.409 63.418 -2.009 25830 7299 1 14 . 1 1 88 88 THR CB C 88 67.556 67.556 69.607 -2.051 25830 7300 1 14 . 1 1 88 88 THR H H 88 7.142 7.142 7.164 -0.022 25830 7301 1 14 . 1 1 89 89 ASN N N 89 124.818 124.818 124.534 0.284 25830 7302 1 14 . 1 1 89 89 ASN HA H 89 4.819 4.819 4.715 0.104 25830 7303 1 14 . 1 1 89 89 ASN C C 89 173.325 173.325 175.797 -2.472 25830 7304 1 14 . 1 1 89 89 ASN CA C 89 48.483 48.483 52.325 -3.842 25830 7305 1 14 . 1 1 89 89 ASN CB C 89 34.958 34.958 38.038 -3.080 25830 7306 1 14 . 1 1 89 89 ASN H H 89 8.754 8.754 8.603 0.151 25830 7307 1 14 . 1 1 90 90 CYS N N 90 123.361 123.361 124.682 -1.321 25830 7308 1 14 . 1 1 90 90 CYS HA H 90 4.174 4.174 3.969 0.205 25830 7309 1 14 . 1 1 90 90 CYS C C 90 172.573 172.573 175.943 -3.370 25830 7310 1 14 . 1 1 90 90 CYS CA C 90 54.158 54.158 60.071 -5.913 25830 7311 1 14 . 1 1 90 90 CYS CB C 90 36.687 36.687 26.237 10.450 25830 7312 1 14 . 1 1 90 90 CYS H H 90 8.790 8.790 8.573 0.217 25830 7313 1 14 . 1 1 91 91 ASN N N 91 115.199 115.199 118.241 -3.042 25830 7314 1 14 . 1 1 91 91 ASN HA H 91 4.578 4.578 4.435 0.143 25830 7315 1 14 . 1 1 91 91 ASN C C 91 173.584 173.584 176.177 -2.593 25830 7316 1 14 . 1 1 91 91 ASN CA C 91 52.264 52.264 55.257 -2.993 25830 7317 1 14 . 1 1 91 91 ASN CB C 91 35.690 35.690 37.458 -1.768 25830 7318 1 14 . 1 1 91 91 ASN H H 91 8.320 8.320 7.970 0.350 25830 7319 1 14 . 1 1 92 92 THR N N 92 107.497 107.497 109.292 -1.795 25830 7320 1 14 . 1 1 92 92 THR HA H 92 4.388 4.388 4.273 0.115 25830 7321 1 14 . 1 1 92 92 THR C C 92 171.702 171.702 175.460 -3.758 25830 7322 1 14 . 1 1 92 92 THR CA C 92 58.280 58.280 62.162 -3.882 25830 7323 1 14 . 1 1 92 92 THR CB C 92 66.107 66.107 69.232 -3.125 25830 7324 1 14 . 1 1 92 92 THR H H 92 7.338 7.338 7.397 -0.059 25830 7325 1 14 . 1 1 93 93 VAL N N 93 123.151 123.151 122.926 0.225 25830 7326 1 14 . 1 1 93 93 VAL HA H 93 3.667 3.667 4.121 -0.454 25830 7327 1 14 . 1 1 93 93 VAL C C 93 172.207 172.207 176.228 -4.021 25830 7328 1 14 . 1 1 93 93 VAL CA C 93 59.846 59.846 62.904 -3.058 25830 7329 1 14 . 1 1 93 93 VAL CB C 93 29.999 29.999 32.378 -2.379 25830 7330 1 14 . 1 1 93 93 VAL H H 93 6.806 6.806 7.388 -0.582 25830 7331 1 14 . 1 1 94 94 ARG N N 94 127.129 127.129 125.777 1.352 25830 7332 1 14 . 1 1 94 94 ARG HA H 94 4.339 4.339 4.437 -0.098 25830 7333 1 14 . 1 1 94 94 ARG C C 94 171.859 171.859 177.001 -5.142 25830 7334 1 14 . 1 1 94 94 ARG CA C 94 52.395 52.395 56.292 -3.897 25830 7335 1 14 . 1 1 94 94 ARG CB C 94 26.973 26.973 30.926 -3.953 25830 7336 1 14 . 1 1 94 94 ARG H H 94 8.201 8.201 8.429 -0.228 25830 7337 1 15 . 1 1 2 2 LEU N N 2 123.438 123.438 121.991 1.447 25830 7338 1 15 . 1 1 2 2 LEU HA H 2 4.344 4.344 4.650 -0.306 25830 7339 1 15 . 1 1 2 2 LEU C C 2 172.388 172.388 176.266 -3.878 25830 7340 1 15 . 1 1 2 2 LEU CA C 2 52.560 52.560 55.030 -2.470 25830 7341 1 15 . 1 1 2 2 LEU CB C 2 40.603 40.603 42.331 -1.728 25830 7342 1 15 . 1 1 2 2 LEU H H 2 8.368 8.368 8.538 -0.170 25830 7343 1 15 . 1 1 3 3 SER N N 3 119.868 119.868 119.337 0.531 25830 7344 1 15 . 1 1 3 3 SER HA H 3 4.748 4.748 4.641 0.107 25830 7345 1 15 . 1 1 3 3 SER C C 3 173.163 173.163 175.932 -2.769 25830 7346 1 15 . 1 1 3 3 SER CA C 3 53.523 53.523 57.096 -3.573 25830 7347 1 15 . 1 1 3 3 SER CB C 3 62.412 62.412 65.254 -2.842 25830 7348 1 15 . 1 1 3 3 SER H H 3 8.550 8.550 8.222 0.329 25830 7349 1 15 . 1 1 4 4 CYS N N 4 120.408 120.408 126.037 -5.629 25830 7350 1 15 . 1 1 4 4 CYS HA H 4 4.586 4.586 4.285 0.301 25830 7351 1 15 . 1 1 4 4 CYS C C 4 175.067 175.067 177.175 -2.108 25830 7352 1 15 . 1 1 4 4 CYS CA C 4 52.166 52.166 60.558 -8.392 25830 7353 1 15 . 1 1 4 4 CYS CB C 4 30.372 30.372 26.429 3.943 25830 7354 1 15 . 1 1 4 4 CYS H H 4 9.222 9.222 9.033 0.189 25830 7355 1 15 . 1 1 5 5 GLY N N 5 110.663 110.663 106.921 3.742 25830 7356 1 15 . 1 1 5 5 GLY C C 5 174.023 174.023 175.579 -1.556 25830 7357 1 15 . 1 1 5 5 GLY CA C 5 44.577 44.577 47.383 -2.806 25830 7358 1 15 . 1 1 5 5 GLY H H 5 8.721 8.721 7.919 0.802 25830 7359 1 15 . 1 1 6 6 THR N N 6 118.884 118.884 116.362 2.522 25830 7360 1 15 . 1 1 6 6 THR HA H 6 4.031 4.031 4.429 -0.398 25830 7361 1 15 . 1 1 6 6 THR C C 6 172.782 172.782 176.379 -3.597 25830 7362 1 15 . 1 1 6 6 THR CA C 6 62.801 62.801 64.866 -2.065 25830 7363 1 15 . 1 1 6 6 THR CB C 6 65.896 65.896 69.403 -3.507 25830 7364 1 15 . 1 1 6 6 THR H H 6 7.676 7.676 7.782 -0.106 25830 7365 1 15 . 1 1 7 7 VAL N N 7 120.789 120.789 121.878 -1.089 25830 7366 1 15 . 1 1 7 7 VAL HA H 7 3.607 3.607 3.647 -0.040 25830 7367 1 15 . 1 1 7 7 VAL C C 7 174.356 174.356 178.021 -3.665 25830 7368 1 15 . 1 1 7 7 VAL CA C 7 63.774 63.774 66.606 -2.832 25830 7369 1 15 . 1 1 7 7 VAL CB C 7 28.610 28.610 31.126 -2.516 25830 7370 1 15 . 1 1 7 7 VAL H H 7 7.280 7.280 7.361 -0.081 25830 7371 1 15 . 1 1 8 8 SER N N 8 114.047 114.047 115.347 -1.300 25830 7372 1 15 . 1 1 8 8 SER HA H 8 3.858 3.858 4.081 -0.223 25830 7373 1 15 . 1 1 8 8 SER C C 8 173.948 173.948 176.007 -2.059 25830 7374 1 15 . 1 1 8 8 SER CA C 8 59.791 59.791 61.749 -1.958 25830 7375 1 15 . 1 1 8 8 SER CB C 8 59.242 59.242 63.006 -3.764 25830 7376 1 15 . 1 1 8 8 SER H H 8 8.501 8.501 7.996 0.505 25830 7377 1 15 . 1 1 9 9 ALA N N 9 123.669 123.669 122.079 1.590 25830 7378 1 15 . 1 1 9 9 ALA HA H 9 4.165 4.165 4.104 0.061 25830 7379 1 15 . 1 1 9 9 ALA C C 9 177.740 177.740 179.007 -1.267 25830 7380 1 15 . 1 1 9 9 ALA CA C 9 52.218 52.218 54.561 -2.343 25830 7381 1 15 . 1 1 9 9 ALA CB C 9 15.348 15.348 18.240 -2.892 25830 7382 1 15 . 1 1 9 9 ALA H H 9 7.685 7.685 7.570 0.115 25830 7383 1 15 . 1 1 10 10 ASP N N 10 118.653 118.653 117.727 0.926 25830 7384 1 15 . 1 1 10 10 ASP HA H 10 4.414 4.414 4.520 -0.106 25830 7385 1 15 . 1 1 10 10 ASP C C 10 173.327 173.327 177.327 -4.000 25830 7386 1 15 . 1 1 10 10 ASP CA C 10 53.357 53.357 55.966 -2.609 25830 7387 1 15 . 1 1 10 10 ASP CB C 10 35.579 35.579 41.337 -5.758 25830 7388 1 15 . 1 1 10 10 ASP H H 10 8.161 8.161 8.075 0.086 25830 7389 1 15 . 1 1 11 11 LEU N N 11 115.104 115.104 120.307 -5.203 25830 7390 1 15 . 1 1 11 11 LEU HA H 11 4.183 4.183 4.184 -0.001 25830 7391 1 15 . 1 1 11 11 LEU C C 11 175.206 175.206 177.747 -2.541 25830 7392 1 15 . 1 1 11 11 LEU CA C 11 51.360 51.360 56.058 -4.698 25830 7393 1 15 . 1 1 11 11 LEU CB C 11 40.185 40.185 41.783 -1.598 25830 7394 1 15 . 1 1 11 11 LEU H H 11 7.731 7.731 7.654 0.077 25830 7395 1 15 . 1 1 12 12 ALA N N 12 124.133 124.133 122.862 1.271 25830 7396 1 15 . 1 1 12 12 ALA HA H 12 4.309 4.309 4.086 0.223 25830 7397 1 15 . 1 1 12 12 ALA C C 12 174.540 174.540 177.290 -2.750 25830 7398 1 15 . 1 1 12 12 ALA CA C 12 54.075 54.075 56.778 -2.703 25830 7399 1 15 . 1 1 12 12 ALA CB C 12 13.256 13.256 16.115 -2.859 25830 7400 1 15 . 1 1 12 12 ALA H H 12 7.481 7.481 7.831 -0.350 25830 7401 1 15 . 1 1 13 13 PRO HA H 13 4.674 4.674 4.488 0.186 25830 7402 1 15 . 1 1 13 13 PRO C C 13 174.824 174.824 176.563 -1.739 25830 7403 1 15 . 1 1 13 13 PRO CA C 13 61.982 61.982 64.530 -2.548 25830 7404 1 15 . 1 1 13 13 PRO CB C 13 28.804 28.804 31.235 -2.431 25830 7405 1 15 . 1 1 14 14 CYS N N 14 114.225 114.225 116.090 -1.865 25830 7406 1 15 . 1 1 14 14 CYS HA H 14 4.722 4.722 4.761 -0.039 25830 7407 1 15 . 1 1 14 14 CYS C C 14 172.376 172.376 176.463 -4.087 25830 7408 1 15 . 1 1 14 14 CYS CA C 14 51.481 51.481 59.420 -7.939 25830 7409 1 15 . 1 1 14 14 CYS CB C 14 39.508 39.508 27.273 12.235 25830 7410 1 15 . 1 1 14 14 CYS H H 14 8.938 8.938 7.641 1.297 25830 7411 1 15 . 1 1 15 15 VAL N N 15 122.488 122.488 122.974 -0.486 25830 7412 1 15 . 1 1 15 15 VAL HA H 15 3.350 3.350 3.637 -0.287 25830 7413 1 15 . 1 1 15 15 VAL C C 15 173.644 173.644 177.535 -3.891 25830 7414 1 15 . 1 1 15 15 VAL CA C 15 66.608 66.608 66.351 0.257 25830 7415 1 15 . 1 1 15 15 VAL CB C 15 28.692 28.692 31.239 -2.547 25830 7416 1 15 . 1 1 15 15 VAL H H 15 7.767 7.767 7.839 -0.072 25830 7417 1 15 . 1 1 16 16 THR N N 16 112.169 112.169 114.039 -1.870 25830 7418 1 15 . 1 1 16 16 THR HA H 16 4.012 4.012 4.085 -0.073 25830 7419 1 15 . 1 1 16 16 THR C C 16 175.021 175.021 176.439 -1.418 25830 7420 1 15 . 1 1 16 16 THR CA C 16 63.879 63.879 66.017 -2.138 25830 7421 1 15 . 1 1 16 16 THR CB C 16 65.364 65.364 68.805 -3.441 25830 7422 1 15 . 1 1 16 16 THR H H 16 8.258 8.258 8.162 0.096 25830 7423 1 15 . 1 1 17 17 TYR N N 17 124.563 124.563 121.314 3.249 25830 7424 1 15 . 1 1 17 17 TYR HA H 17 4.265 4.265 4.320 -0.055 25830 7425 1 15 . 1 1 17 17 TYR C C 17 174.326 174.326 177.598 -3.272 25830 7426 1 15 . 1 1 17 17 TYR CA C 17 58.001 58.001 60.104 -2.103 25830 7427 1 15 . 1 1 17 17 TYR CB C 17 35.252 35.252 38.118 -2.866 25830 7428 1 15 . 1 1 17 17 TYR H H 17 8.280 8.280 8.189 0.091 25830 7429 1 15 . 1 1 18 18 LEU N N 18 119.213 119.213 118.499 0.714 25830 7430 1 15 . 1 1 18 18 LEU HA H 18 3.630 3.630 3.674 -0.044 25830 7431 1 15 . 1 1 18 18 LEU C C 18 172.858 172.858 178.737 -5.879 25830 7432 1 15 . 1 1 18 18 LEU CA C 18 54.171 54.171 57.287 -3.116 25830 7433 1 15 . 1 1 18 18 LEU CB C 18 38.310 38.310 41.652 -3.342 25830 7434 1 15 . 1 1 18 18 LEU H H 18 8.394 8.394 8.012 0.382 25830 7435 1 15 . 1 1 19 19 GLN N N 19 114.782 114.782 115.062 -0.280 25830 7436 1 15 . 1 1 19 19 GLN HA H 19 4.582 4.582 4.275 0.307 25830 7437 1 15 . 1 1 19 19 GLN C C 19 172.754 172.754 175.769 -3.015 25830 7438 1 15 . 1 1 19 19 GLN CA C 19 52.320 52.320 56.050 -3.729 25830 7439 1 15 . 1 1 19 19 GLN CB C 19 27.954 27.954 29.520 -1.566 25830 7440 1 15 . 1 1 19 19 GLN H H 19 7.319 7.319 7.649 -0.330 25830 7441 1 15 . 1 1 20 20 ALA N N 20 126.473 126.473 123.045 3.428 25830 7442 1 15 . 1 1 20 20 ALA HA H 20 4.494 4.494 4.586 -0.092 25830 7443 1 15 . 1 1 20 20 ALA C C 20 171.072 171.072 175.316 -4.244 25830 7444 1 15 . 1 1 20 20 ALA CA C 20 48.862 48.862 50.002 -1.140 25830 7445 1 15 . 1 1 20 20 ALA CB C 20 15.610 15.610 18.647 -3.037 25830 7446 1 15 . 1 1 20 20 ALA H H 20 7.292 7.292 7.174 0.118 25830 7447 1 15 . 1 1 21 21 PRO HA H 21 4.440 4.440 4.450 -0.010 25830 7448 1 15 . 1 1 21 21 PRO C C 21 174.052 174.052 177.163 -3.111 25830 7449 1 15 . 1 1 21 21 PRO CA C 21 59.522 59.522 61.872 -2.350 25830 7450 1 15 . 1 1 21 21 PRO CB C 21 29.853 29.853 32.472 -2.619 25830 7451 1 15 . 1 1 22 22 ASN N N 22 117.448 117.448 118.091 -0.643 25830 7452 1 15 . 1 1 22 22 ASN HA H 22 4.754 4.754 4.556 0.198 25830 7453 1 15 . 1 1 22 22 ASN C C 22 173.299 173.299 176.565 -3.266 25830 7454 1 15 . 1 1 22 22 ASN CA C 22 51.478 51.478 55.773 -4.295 25830 7455 1 15 . 1 1 22 22 ASN CB C 22 35.291 35.291 38.055 -2.764 25830 7456 1 15 . 1 1 22 22 ASN H H 22 8.466 8.466 8.680 -0.214 25830 7457 1 15 . 1 1 23 23 ASN N N 23 113.171 113.171 115.953 -2.782 25830 7458 1 15 . 1 1 23 23 ASN HA H 23 4.555 4.555 4.539 0.016 25830 7459 1 15 . 1 1 23 23 ASN C C 23 172.210 172.210 175.098 -2.888 25830 7460 1 15 . 1 1 23 23 ASN CA C 23 50.626 50.626 53.827 -3.201 25830 7461 1 15 . 1 1 23 23 ASN CB C 23 34.278 34.278 38.836 -4.558 25830 7462 1 15 . 1 1 23 23 ASN H H 23 8.187 8.187 8.190 -0.003 25830 7463 1 15 . 1 1 24 24 ALA N N 24 122.578 122.578 122.241 0.337 25830 7464 1 15 . 1 1 24 24 ALA HA H 24 4.394 4.394 4.531 -0.137 25830 7465 1 15 . 1 1 24 24 ALA C C 24 173.708 173.708 176.278 -2.570 25830 7466 1 15 . 1 1 24 24 ALA CA C 24 49.696 49.696 52.052 -2.356 25830 7467 1 15 . 1 1 24 24 ALA CB C 24 18.288 18.288 20.053 -1.765 25830 7468 1 15 . 1 1 24 24 ALA H H 24 7.381 7.381 7.549 -0.168 25830 7469 1 15 . 1 1 25 25 SER N N 25 115.237 115.237 114.002 1.235 25830 7470 1 15 . 1 1 25 25 SER HA H 25 4.922 4.922 4.524 0.398 25830 7471 1 15 . 1 1 25 25 SER C C 25 181.107 181.107 172.196 8.911 25830 7472 1 15 . 1 1 25 25 SER CA C 25 53.033 53.033 55.517 -2.483 25830 7473 1 15 . 1 1 25 25 SER CB C 25 61.549 61.549 64.729 -3.180 25830 7474 1 15 . 1 1 25 25 SER H H 25 8.649 8.649 8.181 0.468 25830 7475 1 15 . 1 1 26 26 PRO HA H 26 4.014 4.014 4.389 -0.375 25830 7476 1 15 . 1 1 26 26 PRO CA C 26 57.292 57.292 60.932 -3.640 25830 7477 1 15 . 1 1 26 26 PRO CB C 26 27.450 27.450 30.989 -3.539 25830 7478 1 15 . 1 1 27 27 PRO HA H 27 4.881 4.881 4.652 0.229 25830 7479 1 15 . 1 1 27 27 PRO CA C 27 58.500 58.500 60.907 -2.407 25830 7480 1 15 . 1 1 27 27 PRO CB C 27 28.489 28.489 30.744 -2.255 25830 7481 1 15 . 1 1 28 28 PRO HA H 28 4.421 4.421 4.257 0.164 25830 7482 1 15 . 1 1 28 28 PRO CA C 28 64.505 64.505 66.858 -2.353 25830 7483 1 15 . 1 1 28 28 PRO CB C 28 26.217 26.217 29.614 -3.397 25830 7484 1 15 . 1 1 29 29 PRO HA H 29 4.477 4.477 4.287 0.190 25830 7485 1 15 . 1 1 29 29 PRO C C 29 177.330 177.330 178.950 -1.620 25830 7486 1 15 . 1 1 29 29 PRO CA C 29 62.883 62.883 65.609 -2.726 25830 7487 1 15 . 1 1 29 29 PRO CB C 29 28.301 28.301 30.980 -2.679 25830 7488 1 15 . 1 1 30 30 CYS N N 30 114.694 114.694 117.853 -3.159 25830 7489 1 15 . 1 1 30 30 CYS HA H 30 4.456 4.456 4.291 0.165 25830 7490 1 15 . 1 1 30 30 CYS C C 30 172.260 172.260 177.055 -4.795 25830 7491 1 15 . 1 1 30 30 CYS CA C 30 55.585 55.585 61.490 -5.905 25830 7492 1 15 . 1 1 30 30 CYS CB C 30 34.602 34.602 25.716 8.886 25830 7493 1 15 . 1 1 30 30 CYS H H 30 7.637 7.637 7.721 -0.084 25830 7494 1 15 . 1 1 31 31 CYS N N 31 116.335 116.335 120.412 -4.077 25830 7495 1 15 . 1 1 31 31 CYS HA H 31 4.607 4.607 4.001 0.606 25830 7496 1 15 . 1 1 31 31 CYS C C 31 174.401 174.401 176.976 -2.575 25830 7497 1 15 . 1 1 31 31 CYS CA C 31 51.858 51.858 63.602 -11.744 25830 7498 1 15 . 1 1 31 31 CYS CB C 31 29.979 29.979 26.032 3.947 25830 7499 1 15 . 1 1 31 31 CYS H H 31 7.083 7.083 8.164 -1.081 25830 7500 1 15 . 1 1 32 32 ALA N N 32 121.738 121.738 121.296 0.442 25830 7501 1 15 . 1 1 32 32 ALA HA H 32 4.070 4.070 3.985 0.085 25830 7502 1 15 . 1 1 32 32 ALA C C 32 177.730 177.730 179.440 -1.710 25830 7503 1 15 . 1 1 32 32 ALA CA C 32 52.557 52.557 55.204 -2.647 25830 7504 1 15 . 1 1 32 32 ALA CB C 32 15.204 15.204 18.029 -2.825 25830 7505 1 15 . 1 1 32 32 ALA H H 32 8.481 8.481 8.275 0.206 25830 7506 1 15 . 1 1 33 33 GLY N N 33 108.715 108.715 106.739 1.976 25830 7507 1 15 . 1 1 33 33 GLY C C 33 172.825 172.825 176.191 -3.366 25830 7508 1 15 . 1 1 33 33 GLY CA C 33 44.748 44.748 47.180 -2.432 25830 7509 1 15 . 1 1 33 33 GLY H H 33 7.683 7.683 7.731 -0.048 25830 7510 1 15 . 1 1 34 34 VAL N N 34 121.079 121.079 121.382 -0.303 25830 7511 1 15 . 1 1 34 34 VAL HA H 34 3.489 3.489 3.700 -0.211 25830 7512 1 15 . 1 1 34 34 VAL C C 34 174.764 174.764 178.614 -3.850 25830 7513 1 15 . 1 1 34 34 VAL CA C 34 63.930 63.930 66.234 -2.304 25830 7514 1 15 . 1 1 34 34 VAL CB C 34 29.037 29.037 31.675 -2.638 25830 7515 1 15 . 1 1 34 34 VAL H H 34 8.085 8.085 7.646 0.439 25830 7516 1 15 . 1 1 35 35 LYS N N 35 117.845 117.845 117.789 0.056 25830 7517 1 15 . 1 1 35 35 LYS HA H 35 3.814 3.814 4.047 -0.233 25830 7518 1 15 . 1 1 35 35 LYS C C 35 176.677 176.677 178.384 -1.707 25830 7519 1 15 . 1 1 35 35 LYS CA C 35 57.849 57.849 58.870 -1.021 25830 7520 1 15 . 1 1 35 35 LYS CB C 35 29.635 29.635 31.752 -2.117 25830 7521 1 15 . 1 1 35 35 LYS H H 35 8.089 8.089 7.808 0.281 25830 7522 1 15 . 1 1 36 36 LYS N N 36 120.507 120.507 120.822 -0.315 25830 7523 1 15 . 1 1 36 36 LYS HA H 36 3.946 3.946 4.079 -0.133 25830 7524 1 15 . 1 1 36 36 LYS C C 36 176.481 176.481 177.798 -1.317 25830 7525 1 15 . 1 1 36 36 LYS CA C 36 56.889 56.889 58.359 -1.470 25830 7526 1 15 . 1 1 36 36 LYS CB C 36 29.999 29.999 32.158 -2.159 25830 7527 1 15 . 1 1 36 36 LYS H H 36 7.940 7.940 7.460 0.480 25830 7528 1 15 . 1 1 37 37 LEU N N 37 121.929 121.929 119.610 2.319 25830 7529 1 15 . 1 1 37 37 LEU HA H 37 4.012 4.012 3.956 0.056 25830 7530 1 15 . 1 1 37 37 LEU C C 37 175.490 175.490 178.569 -3.079 25830 7531 1 15 . 1 1 37 37 LEU CA C 37 55.567 55.567 57.422 -1.855 25830 7532 1 15 . 1 1 37 37 LEU CB C 37 38.621 38.621 41.723 -3.102 25830 7533 1 15 . 1 1 37 37 LEU H H 37 7.882 7.882 7.419 0.463 25830 7534 1 15 . 1 1 38 38 LEU N N 38 117.061 117.061 118.526 -1.465 25830 7535 1 15 . 1 1 38 38 LEU HA H 38 4.050 4.050 3.970 0.080 25830 7536 1 15 . 1 1 38 38 LEU C C 38 177.275 177.275 177.838 -0.563 25830 7537 1 15 . 1 1 38 38 LEU CA C 38 54.535 54.535 57.688 -3.153 25830 7538 1 15 . 1 1 38 38 LEU CB C 38 38.448 38.448 41.666 -3.218 25830 7539 1 15 . 1 1 38 38 LEU H H 38 7.812 7.812 7.499 0.313 25830 7540 1 15 . 1 1 39 39 ALA N N 39 119.986 119.986 118.536 1.450 25830 7541 1 15 . 1 1 39 39 ALA HA H 39 4.105 4.105 4.277 -0.172 25830 7542 1 15 . 1 1 39 39 ALA C C 39 175.721 175.721 178.190 -2.469 25830 7543 1 15 . 1 1 39 39 ALA CA C 39 50.910 50.910 52.467 -1.557 25830 7544 1 15 . 1 1 39 39 ALA CB C 39 15.545 15.545 18.863 -3.318 25830 7545 1 15 . 1 1 39 39 ALA H H 39 7.914 7.914 7.578 0.336 25830 7546 1 15 . 1 1 40 40 ALA N N 40 118.015 118.015 122.796 -4.781 25830 7547 1 15 . 1 1 40 40 ALA HA H 40 4.266 4.266 4.156 0.110 25830 7548 1 15 . 1 1 40 40 ALA C C 40 174.416 174.416 177.990 -3.574 25830 7549 1 15 . 1 1 40 40 ALA CA C 40 49.886 49.886 53.584 -3.698 25830 7550 1 15 . 1 1 40 40 ALA CB C 40 16.330 16.330 18.988 -2.658 25830 7551 1 15 . 1 1 40 40 ALA H H 40 7.302 7.302 7.684 -0.382 25830 7552 1 15 . 1 1 41 41 ALA N N 41 122.389 122.389 118.543 3.846 25830 7553 1 15 . 1 1 41 41 ALA HA H 41 4.605 4.605 4.224 0.381 25830 7554 1 15 . 1 1 41 41 ALA C C 41 172.709 172.709 176.625 -3.916 25830 7555 1 15 . 1 1 41 41 ALA CA C 41 47.917 47.917 52.114 -4.197 25830 7556 1 15 . 1 1 41 41 ALA CB C 41 15.072 15.072 20.273 -5.200 25830 7557 1 15 . 1 1 41 41 ALA H H 41 7.304 7.304 7.537 -0.233 25830 7558 1 15 . 1 1 42 42 THR N N 42 113.142 113.142 111.635 1.507 25830 7559 1 15 . 1 1 42 42 THR HA H 42 4.422 4.422 4.427 -0.005 25830 7560 1 15 . 1 1 42 42 THR C C 42 172.086 172.086 174.456 -2.370 25830 7561 1 15 . 1 1 42 42 THR CA C 42 59.772 59.772 62.097 -2.325 25830 7562 1 15 . 1 1 42 42 THR CB C 42 66.992 66.992 69.645 -2.653 25830 7563 1 15 . 1 1 42 42 THR H H 42 8.663 8.663 8.260 0.403 25830 7564 1 15 . 1 1 43 43 THR N N 43 111.501 111.501 114.017 -2.516 25830 7565 1 15 . 1 1 43 43 THR HA H 43 4.704 4.704 4.593 0.111 25830 7566 1 15 . 1 1 43 43 THR C C 43 172.283 172.283 175.102 -2.819 25830 7567 1 15 . 1 1 43 43 THR CA C 43 56.869 56.869 60.362 -3.493 25830 7568 1 15 . 1 1 43 43 THR CB C 43 69.211 69.211 71.346 -2.135 25830 7569 1 15 . 1 1 43 43 THR H H 43 7.705 7.705 7.491 0.214 25830 7570 1 15 . 1 1 44 44 THR N N 44 119.157 119.157 115.337 3.820 25830 7571 1 15 . 1 1 44 44 THR HA H 44 3.861 3.861 4.238 -0.377 25830 7572 1 15 . 1 1 44 44 THR CA C 44 66.420 66.420 67.180 -0.760 25830 7573 1 15 . 1 1 44 44 THR CB C 44 63.702 63.702 67.005 -3.304 25830 7574 1 15 . 1 1 44 44 THR H H 44 9.305 9.305 8.411 0.894 25830 7575 1 15 . 1 1 45 45 PRO HA H 45 4.345 4.345 4.236 0.109 25830 7576 1 15 . 1 1 45 45 PRO C C 45 177.238 177.238 177.913 -0.675 25830 7577 1 15 . 1 1 45 45 PRO CA C 45 63.192 63.192 65.080 -1.888 25830 7578 1 15 . 1 1 45 45 PRO CB C 45 28.232 28.232 31.244 -3.012 25830 7579 1 15 . 1 1 46 46 ASP N N 46 117.412 117.412 119.578 -2.166 25830 7580 1 15 . 1 1 46 46 ASP HA H 46 4.571 4.571 4.393 0.178 25830 7581 1 15 . 1 1 46 46 ASP C C 46 175.358 175.358 178.173 -2.815 25830 7582 1 15 . 1 1 46 46 ASP CA C 46 54.436 54.436 56.756 -2.320 25830 7583 1 15 . 1 1 46 46 ASP CB C 46 37.884 37.884 40.388 -2.503 25830 7584 1 15 . 1 1 46 46 ASP H H 46 7.238 7.238 8.149 -0.911 25830 7585 1 15 . 1 1 47 47 ARG N N 47 122.342 122.342 118.008 4.334 25830 7586 1 15 . 1 1 47 47 ARG HA H 47 3.754 3.754 4.042 -0.288 25830 7587 1 15 . 1 1 47 47 ARG C C 47 176.688 176.688 178.719 -2.031 25830 7588 1 15 . 1 1 47 47 ARG CA C 47 57.351 57.351 59.038 -1.688 25830 7589 1 15 . 1 1 47 47 ARG CB C 47 26.606 26.606 30.082 -3.476 25830 7590 1 15 . 1 1 47 47 ARG H H 47 8.383 8.383 7.504 0.879 25830 7591 1 15 . 1 1 48 48 GLN N N 48 120.813 120.813 118.241 2.572 25830 7592 1 15 . 1 1 48 48 GLN HA H 48 3.650 3.650 3.940 -0.290 25830 7593 1 15 . 1 1 48 48 GLN C C 48 175.354 175.354 177.763 -2.409 25830 7594 1 15 . 1 1 48 48 GLN CA C 48 56.742 56.742 58.963 -2.221 25830 7595 1 15 . 1 1 48 48 GLN CB C 48 25.406 25.406 28.120 -2.714 25830 7596 1 15 . 1 1 48 48 GLN H H 48 8.176 8.176 7.676 0.500 25830 7597 1 15 . 1 1 49 49 ALA N N 49 122.476 122.476 121.229 1.247 25830 7598 1 15 . 1 1 49 49 ALA HA H 49 4.224 4.224 3.953 0.272 25830 7599 1 15 . 1 1 49 49 ALA C C 49 177.581 177.581 179.098 -1.517 25830 7600 1 15 . 1 1 49 49 ALA CA C 49 52.410 52.410 54.725 -2.316 25830 7601 1 15 . 1 1 49 49 ALA CB C 49 15.305 15.305 17.912 -2.607 25830 7602 1 15 . 1 1 49 49 ALA H H 49 8.079 8.079 7.456 0.623 25830 7603 1 15 . 1 1 50 50 ALA N N 50 121.104 121.104 120.070 1.034 25830 7604 1 15 . 1 1 50 50 ALA HA H 50 3.686 3.686 3.988 -0.302 25830 7605 1 15 . 1 1 50 50 ALA C C 50 175.478 175.478 178.731 -3.253 25830 7606 1 15 . 1 1 50 50 ALA CA C 50 53.344 53.344 55.120 -1.776 25830 7607 1 15 . 1 1 50 50 ALA CB C 50 14.032 14.032 17.882 -3.850 25830 7608 1 15 . 1 1 50 50 ALA H H 50 8.494 8.494 7.586 0.908 25830 7609 1 15 . 1 1 51 51 CYS N N 51 117.063 117.063 114.581 2.482 25830 7610 1 15 . 1 1 51 51 CYS HA H 51 4.091 4.091 3.981 0.110 25830 7611 1 15 . 1 1 51 51 CYS C C 51 173.692 173.692 176.333 -2.641 25830 7612 1 15 . 1 1 51 51 CYS CA C 51 57.660 57.660 60.222 -2.562 25830 7613 1 15 . 1 1 51 51 CYS CB C 51 34.278 34.278 25.056 9.222 25830 7614 1 15 . 1 1 51 51 CYS H H 51 7.466 7.466 7.803 -0.337 25830 7615 1 15 . 1 1 52 52 ASN N N 52 120.867 120.867 118.106 2.761 25830 7616 1 15 . 1 1 52 52 ASN HA H 52 4.403 4.403 4.725 -0.322 25830 7617 1 15 . 1 1 52 52 ASN C C 52 176.290 176.290 177.076 -0.786 25830 7618 1 15 . 1 1 52 52 ASN CA C 52 54.177 54.177 55.703 -1.526 25830 7619 1 15 . 1 1 52 52 ASN CB C 52 36.302 36.302 38.442 -2.140 25830 7620 1 15 . 1 1 52 52 ASN H H 52 8.164 8.164 7.302 0.862 25830 7621 1 15 . 1 1 53 53 CYS N N 53 119.542 119.542 119.870 -0.328 25830 7622 1 15 . 1 1 53 53 CYS HA H 53 4.543 4.543 4.211 0.332 25830 7623 1 15 . 1 1 53 53 CYS C C 53 175.294 175.294 176.838 -1.544 25830 7624 1 15 . 1 1 53 53 CYS CA C 53 53.637 53.637 62.046 -8.409 25830 7625 1 15 . 1 1 53 53 CYS CB C 53 34.302 34.302 26.043 8.259 25830 7626 1 15 . 1 1 53 53 CYS H H 53 8.974 8.974 7.715 1.259 25830 7627 1 15 . 1 1 54 54 LEU N N 54 124.510 124.510 118.698 5.812 25830 7628 1 15 . 1 1 54 54 LEU HA H 54 3.964 3.964 3.950 0.014 25830 7629 1 15 . 1 1 54 54 LEU C C 54 175.082 175.082 179.226 -4.144 25830 7630 1 15 . 1 1 54 54 LEU CA C 54 55.725 55.725 58.196 -2.471 25830 7631 1 15 . 1 1 54 54 LEU CB C 54 39.035 39.035 40.879 -1.844 25830 7632 1 15 . 1 1 54 54 LEU H H 54 8.794 8.794 7.842 0.952 25830 7633 1 15 . 1 1 55 55 LYS N N 55 120.615 120.615 118.698 1.917 25830 7634 1 15 . 1 1 55 55 LYS HA H 55 3.929 3.929 4.089 -0.160 25830 7635 1 15 . 1 1 55 55 LYS C C 55 176.860 176.860 178.774 -1.914 25830 7636 1 15 . 1 1 55 55 LYS CA C 55 57.089 57.089 58.903 -1.814 25830 7637 1 15 . 1 1 55 55 LYS CB C 55 30.420 30.420 31.659 -1.239 25830 7638 1 15 . 1 1 55 55 LYS H H 55 8.119 8.119 7.338 0.781 25830 7639 1 15 . 1 1 56 56 SER N N 56 113.653 113.653 114.962 -1.309 25830 7640 1 15 . 1 1 56 56 SER HA H 56 4.202 4.202 4.197 0.005 25830 7641 1 15 . 1 1 56 56 SER C C 56 175.009 175.009 176.752 -1.743 25830 7642 1 15 . 1 1 56 56 SER CA C 56 58.397 58.397 61.566 -3.168 25830 7643 1 15 . 1 1 56 56 SER CB C 56 60.063 60.063 62.771 -2.708 25830 7644 1 15 . 1 1 56 56 SER H H 56 7.746 7.746 7.418 0.328 25830 7645 1 15 . 1 1 57 57 ALA N N 57 125.184 125.184 123.561 1.623 25830 7646 1 15 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.043 0.030 25830 7647 1 15 . 1 1 57 57 ALA C C 57 177.735 177.735 179.406 -1.671 25830 7648 1 15 . 1 1 57 57 ALA CA C 57 52.222 52.222 54.666 -2.444 25830 7649 1 15 . 1 1 57 57 ALA CB C 57 14.710 14.710 18.208 -3.498 25830 7650 1 15 . 1 1 57 57 ALA H H 57 8.370 8.370 7.770 0.600 25830 7651 1 15 . 1 1 58 58 ALA N N 58 119.288 119.288 120.862 -1.574 25830 7652 1 15 . 1 1 58 58 ALA HA H 58 3.873 3.873 4.035 -0.162 25830 7653 1 15 . 1 1 58 58 ALA C C 58 176.201 176.201 179.395 -3.194 25830 7654 1 15 . 1 1 58 58 ALA CA C 58 52.154 52.154 54.242 -2.088 25830 7655 1 15 . 1 1 58 58 ALA CB C 58 13.944 13.944 18.396 -4.452 25830 7656 1 15 . 1 1 58 58 ALA H H 58 8.355 8.355 7.651 0.704 25830 7657 1 15 . 1 1 59 59 GLY N N 59 101.896 101.896 104.864 -2.968 25830 7658 1 15 . 1 1 59 59 GLY C C 59 171.619 171.619 174.726 -3.107 25830 7659 1 15 . 1 1 59 59 GLY CA C 59 43.245 43.245 45.769 -2.524 25830 7660 1 15 . 1 1 59 59 GLY H H 59 7.613 7.613 8.136 -0.523 25830 7661 1 15 . 1 1 60 60 SER N N 60 114.297 114.297 114.472 -0.175 25830 7662 1 15 . 1 1 60 60 SER HA H 60 4.548 4.548 4.568 -0.020 25830 7663 1 15 . 1 1 60 60 SER C C 60 171.232 171.232 173.971 -2.739 25830 7664 1 15 . 1 1 60 60 SER CA C 60 55.817 55.817 57.404 -1.587 25830 7665 1 15 . 1 1 60 60 SER CB C 60 61.793 61.793 64.274 -2.481 25830 7666 1 15 . 1 1 60 60 SER H H 60 7.570 7.570 7.995 -0.425 25830 7667 1 15 . 1 1 61 61 ILE N N 61 125.096 125.096 125.936 -0.840 25830 7668 1 15 . 1 1 61 61 ILE HA H 61 4.272 4.272 4.512 -0.240 25830 7669 1 15 . 1 1 61 61 ILE C C 61 170.966 170.966 174.419 -3.453 25830 7670 1 15 . 1 1 61 61 ILE CA C 61 56.364 56.364 58.273 -1.909 25830 7671 1 15 . 1 1 61 61 ILE CB C 61 36.307 36.307 39.082 -2.775 25830 7672 1 15 . 1 1 61 61 ILE H H 61 7.222 7.222 7.496 -0.274 25830 7673 1 15 . 1 1 62 62 PRO HA H 62 4.317 4.317 4.404 -0.087 25830 7674 1 15 . 1 1 62 62 PRO C C 62 173.935 173.935 176.265 -2.330 25830 7675 1 15 . 1 1 62 62 PRO CA C 62 60.634 60.634 63.236 -2.602 25830 7676 1 15 . 1 1 62 62 PRO CB C 62 29.399 29.399 31.804 -2.405 25830 7677 1 15 . 1 1 63 63 LYS N N 63 115.837 115.837 117.403 -1.566 25830 7678 1 15 . 1 1 63 63 LYS HA H 63 3.916 3.916 3.837 0.079 25830 7679 1 15 . 1 1 63 63 LYS C C 63 172.800 172.800 176.326 -3.526 25830 7680 1 15 . 1 1 63 63 LYS CA C 63 53.303 53.303 56.714 -3.411 25830 7681 1 15 . 1 1 63 63 LYS CB C 63 26.973 26.973 30.299 -3.326 25830 7682 1 15 . 1 1 63 63 LYS H H 63 8.584 8.584 8.534 0.050 25830 7683 1 15 . 1 1 64 64 LEU N N 64 118.672 118.672 119.762 -1.090 25830 7684 1 15 . 1 1 64 64 LEU HA H 64 3.625 3.625 4.043 -0.418 25830 7685 1 15 . 1 1 64 64 LEU C C 64 173.690 173.690 176.397 -2.707 25830 7686 1 15 . 1 1 64 64 LEU CA C 64 53.929 53.929 55.837 -1.908 25830 7687 1 15 . 1 1 64 64 LEU CB C 64 39.878 39.878 42.249 -2.371 25830 7688 1 15 . 1 1 64 64 LEU H H 64 7.116 7.116 7.475 -0.359 25830 7689 1 15 . 1 1 65 65 ASN N N 65 125.562 125.562 126.305 -0.743 25830 7690 1 15 . 1 1 65 65 ASN HA H 65 4.879 4.879 4.947 -0.068 25830 7691 1 15 . 1 1 65 65 ASN C C 65 174.338 174.338 175.641 -1.303 25830 7692 1 15 . 1 1 65 65 ASN CA C 65 48.862 48.862 51.156 -2.293 25830 7693 1 15 . 1 1 65 65 ASN CB C 65 34.238 34.238 38.795 -4.558 25830 7694 1 15 . 1 1 65 65 ASN H H 65 9.348 9.348 8.204 1.144 25830 7695 1 15 . 1 1 66 66 THR N N 66 118.448 118.448 117.076 1.372 25830 7696 1 15 . 1 1 66 66 THR HA H 66 3.840 3.840 3.945 -0.105 25830 7697 1 15 . 1 1 66 66 THR C C 66 174.820 174.820 175.204 -0.384 25830 7698 1 15 . 1 1 66 66 THR CA C 66 62.576 62.576 64.812 -2.236 25830 7699 1 15 . 1 1 66 66 THR CB C 66 65.348 65.348 68.519 -3.171 25830 7700 1 15 . 1 1 66 66 THR H H 66 8.735 8.735 8.300 0.435 25830 7701 1 15 . 1 1 67 67 ASN N N 67 121.545 121.545 118.294 3.251 25830 7702 1 15 . 1 1 67 67 ASN HA H 67 4.460 4.460 4.374 0.086 25830 7703 1 15 . 1 1 67 67 ASN C C 67 174.825 174.825 177.168 -2.343 25830 7704 1 15 . 1 1 67 67 ASN CA C 67 53.781 53.781 56.137 -2.356 25830 7705 1 15 . 1 1 67 67 ASN CB C 67 35.495 35.495 38.265 -2.770 25830 7706 1 15 . 1 1 67 67 ASN H H 67 8.229 8.229 8.093 0.136 25830 7707 1 15 . 1 1 68 68 ASN N N 68 122.399 122.399 118.752 3.647 25830 7708 1 15 . 1 1 68 68 ASN HA H 68 4.463 4.463 4.447 0.016 25830 7709 1 15 . 1 1 68 68 ASN C C 68 175.357 175.357 176.485 -1.128 25830 7710 1 15 . 1 1 68 68 ASN CA C 68 52.009 52.009 55.639 -3.630 25830 7711 1 15 . 1 1 68 68 ASN CB C 68 32.853 32.853 37.845 -4.992 25830 7712 1 15 . 1 1 68 68 ASN H H 68 7.153 7.153 7.859 -0.706 25830 7713 1 15 . 1 1 69 69 ALA N N 69 123.588 123.588 121.045 2.543 25830 7714 1 15 . 1 1 69 69 ALA HA H 69 3.930 3.930 4.010 -0.080 25830 7715 1 15 . 1 1 69 69 ALA C C 69 175.919 175.919 178.766 -2.847 25830 7716 1 15 . 1 1 69 69 ALA CA C 69 53.087 53.087 54.756 -1.669 25830 7717 1 15 . 1 1 69 69 ALA CB C 69 14.867 14.867 18.366 -3.499 25830 7718 1 15 . 1 1 69 69 ALA H H 69 7.942 7.942 7.343 0.599 25830 7719 1 15 . 1 1 70 70 ALA N N 70 117.736 117.736 120.305 -2.569 25830 7720 1 15 . 1 1 70 70 ALA HA H 70 4.250 4.250 4.100 0.150 25830 7721 1 15 . 1 1 70 70 ALA C C 70 176.704 176.704 178.385 -1.681 25830 7722 1 15 . 1 1 70 70 ALA CA C 70 51.706 51.706 54.464 -2.758 25830 7723 1 15 . 1 1 70 70 ALA CB C 70 15.507 15.507 18.742 -3.235 25830 7724 1 15 . 1 1 70 70 ALA H H 70 7.574 7.574 7.492 0.082 25830 7725 1 15 . 1 1 71 71 ALA N N 71 117.858 117.858 120.707 -2.849 25830 7726 1 15 . 1 1 71 71 ALA HA H 71 4.321 4.321 4.367 -0.046 25830 7727 1 15 . 1 1 71 71 ALA C C 71 175.190 175.190 179.397 -4.207 25830 7728 1 15 . 1 1 71 71 ALA CA C 71 50.142 50.142 53.734 -3.592 25830 7729 1 15 . 1 1 71 71 ALA CB C 71 16.908 16.908 18.286 -1.378 25830 7730 1 15 . 1 1 71 71 ALA H H 71 7.676 7.676 7.342 0.334 25830 7731 1 15 . 1 1 72 72 LEU N N 72 117.566 117.566 121.667 -4.101 25830 7732 1 15 . 1 1 72 72 LEU HA H 72 4.097 4.097 4.136 -0.039 25830 7733 1 15 . 1 1 72 72 LEU C C 72 170.406 170.406 175.936 -5.530 25830 7734 1 15 . 1 1 72 72 LEU CA C 72 57.688 57.688 60.502 -2.814 25830 7735 1 15 . 1 1 72 72 LEU CB C 72 36.632 36.632 40.337 -3.705 25830 7736 1 15 . 1 1 72 72 LEU H H 72 7.494 7.494 7.800 -0.306 25830 7737 1 15 . 1 1 73 73 PRO HA H 73 3.793 3.793 4.263 -0.470 25830 7738 1 15 . 1 1 73 73 PRO C C 73 176.416 176.416 179.026 -2.610 25830 7739 1 15 . 1 1 73 73 PRO CA C 73 64.431 64.431 65.458 -1.027 25830 7740 1 15 . 1 1 73 73 PRO CB C 73 27.928 27.928 30.946 -3.018 25830 7741 1 15 . 1 1 74 74 GLY N N 74 106.170 106.170 107.494 -1.324 25830 7742 1 15 . 1 1 74 74 GLY C C 74 176.081 176.081 177.117 -1.036 25830 7743 1 15 . 1 1 74 74 GLY CA C 74 44.577 44.577 47.132 -2.555 25830 7744 1 15 . 1 1 74 74 GLY H H 74 8.374 8.374 7.962 0.412 25830 7745 1 15 . 1 1 75 75 LYS N N 75 121.379 121.379 120.806 0.573 25830 7746 1 15 . 1 1 75 75 LYS HA H 75 4.162 4.162 4.181 -0.019 25830 7747 1 15 . 1 1 75 75 LYS C C 75 175.735 175.735 177.282 -1.547 25830 7748 1 15 . 1 1 75 75 LYS CA C 75 56.053 56.053 58.179 -2.126 25830 7749 1 15 . 1 1 75 75 LYS CB C 75 30.087 30.087 31.928 -1.841 25830 7750 1 15 . 1 1 75 75 LYS H H 75 8.417 8.417 8.579 -0.162 25830 7751 1 15 . 1 1 76 76 CYS N N 76 115.021 115.021 116.552 -1.531 25830 7752 1 15 . 1 1 76 76 CYS HA H 76 4.895 4.895 4.513 0.382 25830 7753 1 15 . 1 1 76 76 CYS C C 76 172.300 172.300 174.771 -2.471 25830 7754 1 15 . 1 1 76 76 CYS CA C 76 49.730 49.730 58.454 -8.724 25830 7755 1 15 . 1 1 76 76 CYS CB C 76 32.817 32.817 26.757 6.060 25830 7756 1 15 . 1 1 76 76 CYS H H 76 7.756 7.756 7.614 0.142 25830 7757 1 15 . 1 1 77 77 GLY N N 77 109.352 109.352 110.526 -1.174 25830 7758 1 15 . 1 1 77 77 GLY C C 77 171.753 171.753 174.395 -2.642 25830 7759 1 15 . 1 1 77 77 GLY CA C 77 43.794 43.794 46.063 -2.269 25830 7760 1 15 . 1 1 77 77 GLY H H 77 7.894 7.894 8.171 -0.277 25830 7761 1 15 . 1 1 78 78 VAL N N 78 115.528 115.528 115.755 -0.227 25830 7762 1 15 . 1 1 78 78 VAL HA H 78 4.491 4.491 4.525 -0.034 25830 7763 1 15 . 1 1 78 78 VAL C C 78 171.256 171.256 174.833 -3.577 25830 7764 1 15 . 1 1 78 78 VAL CA C 78 56.800 56.800 59.475 -2.675 25830 7765 1 15 . 1 1 78 78 VAL CB C 78 31.741 31.741 33.590 -1.849 25830 7766 1 15 . 1 1 78 78 VAL H H 78 8.137 8.137 7.727 0.410 25830 7767 1 15 . 1 1 79 79 SER N N 79 116.418 116.418 119.832 -3.414 25830 7768 1 15 . 1 1 79 79 SER HA H 79 4.583 4.583 4.750 -0.167 25830 7769 1 15 . 1 1 79 79 SER C C 79 170.681 170.681 174.488 -3.807 25830 7770 1 15 . 1 1 79 79 SER CA C 79 54.258 54.258 57.425 -3.167 25830 7771 1 15 . 1 1 79 79 SER CB C 79 61.468 61.468 63.960 -2.492 25830 7772 1 15 . 1 1 79 79 SER H H 79 8.124 8.124 8.364 -0.240 25830 7773 1 15 . 1 1 80 80 ILE N N 80 120.257 120.257 121.972 -1.715 25830 7774 1 15 . 1 1 80 80 ILE HA H 80 4.639 4.639 4.530 0.109 25830 7775 1 15 . 1 1 80 80 ILE C C 80 172.830 172.830 174.029 -1.199 25830 7776 1 15 . 1 1 80 80 ILE CA C 80 55.333 55.333 56.983 -1.651 25830 7777 1 15 . 1 1 80 80 ILE CB C 80 38.093 38.093 37.126 0.967 25830 7778 1 15 . 1 1 80 80 ILE H H 80 8.089 8.089 8.209 -0.120 25830 7779 1 15 . 1 1 81 81 PRO HA H 81 4.547 4.547 4.382 0.165 25830 7780 1 15 . 1 1 81 81 PRO C C 81 171.325 171.325 175.357 -4.032 25830 7781 1 15 . 1 1 81 81 PRO CA C 81 60.903 60.903 63.759 -2.856 25830 7782 1 15 . 1 1 81 81 PRO CB C 81 27.693 27.693 32.287 -4.594 25830 7783 1 15 . 1 1 82 82 TYR N N 82 115.259 115.259 113.156 2.103 25830 7784 1 15 . 1 1 82 82 TYR HA H 82 4.732 4.732 4.776 -0.044 25830 7785 1 15 . 1 1 82 82 TYR C C 82 170.187 170.187 174.029 -3.842 25830 7786 1 15 . 1 1 82 82 TYR CA C 82 51.930 51.930 55.480 -3.550 25830 7787 1 15 . 1 1 82 82 TYR CB C 82 37.275 37.275 39.665 -2.390 25830 7788 1 15 . 1 1 82 82 TYR H H 82 6.642 6.642 7.217 -0.575 25830 7789 1 15 . 1 1 83 83 LYS N N 83 116.992 116.992 120.720 -3.728 25830 7790 1 15 . 1 1 83 83 LYS HA H 83 4.464 4.464 4.488 -0.024 25830 7791 1 15 . 1 1 83 83 LYS C C 83 174.342 174.342 175.913 -1.571 25830 7792 1 15 . 1 1 83 83 LYS CA C 83 51.653 51.653 55.417 -3.764 25830 7793 1 15 . 1 1 83 83 LYS CB C 83 31.513 31.513 33.524 -2.011 25830 7794 1 15 . 1 1 83 83 LYS H H 83 8.301 8.301 8.332 -0.031 25830 7795 1 15 . 1 1 84 84 ILE N N 84 126.906 126.906 119.206 7.700 25830 7796 1 15 . 1 1 84 84 ILE HA H 84 3.913 3.913 4.283 -0.370 25830 7797 1 15 . 1 1 84 84 ILE C C 84 170.945 170.945 175.448 -4.503 25830 7798 1 15 . 1 1 84 84 ILE CA C 84 59.761 59.761 60.711 -0.950 25830 7799 1 15 . 1 1 84 84 ILE CB C 84 33.534 33.534 37.521 -3.987 25830 7800 1 15 . 1 1 84 84 ILE H H 84 9.304 9.304 8.552 0.752 25830 7801 1 15 . 1 1 85 85 SER N N 85 120.246 120.246 116.093 4.153 25830 7802 1 15 . 1 1 85 85 SER HA H 85 4.563 4.563 4.699 -0.136 25830 7803 1 15 . 1 1 85 85 SER C C 85 171.695 171.695 175.753 -4.058 25830 7804 1 15 . 1 1 85 85 SER CA C 85 53.394 53.394 56.963 -3.569 25830 7805 1 15 . 1 1 85 85 SER CB C 85 61.638 61.638 65.255 -3.617 25830 7806 1 15 . 1 1 85 85 SER H H 85 7.256 7.256 7.487 -0.231 25830 7807 1 15 . 1 1 86 86 THR N N 86 115.458 115.458 116.644 -1.186 25830 7808 1 15 . 1 1 86 86 THR HA H 86 4.147 4.147 4.186 -0.039 25830 7809 1 15 . 1 1 86 86 THR C C 86 172.663 172.663 175.033 -2.370 25830 7810 1 15 . 1 1 86 86 THR CA C 86 61.527 61.527 64.649 -3.122 25830 7811 1 15 . 1 1 86 86 THR CB C 86 65.858 65.858 68.746 -2.889 25830 7812 1 15 . 1 1 86 86 THR H H 86 8.819 8.819 8.536 0.283 25830 7813 1 15 . 1 1 87 87 SER N N 87 114.029 114.029 114.458 -0.429 25830 7814 1 15 . 1 1 87 87 SER HA H 87 4.524 4.524 4.577 -0.053 25830 7815 1 15 . 1 1 87 87 SER C C 87 172.010 172.010 174.810 -2.800 25830 7816 1 15 . 1 1 87 87 SER CA C 87 55.408 55.408 58.055 -2.647 25830 7817 1 15 . 1 1 87 87 SER CB C 87 61.144 61.144 63.247 -2.103 25830 7818 1 15 . 1 1 87 87 SER H H 87 8.239 8.239 7.885 0.354 25830 7819 1 15 . 1 1 88 88 THR N N 88 120.831 120.831 120.063 0.768 25830 7820 1 15 . 1 1 88 88 THR HA H 88 3.808 3.808 4.298 -0.490 25830 7821 1 15 . 1 1 88 88 THR C C 88 181.273 181.273 174.344 6.929 25830 7822 1 15 . 1 1 88 88 THR CA C 88 61.409 61.409 63.480 -2.071 25830 7823 1 15 . 1 1 88 88 THR CB C 88 67.556 67.556 69.470 -1.914 25830 7824 1 15 . 1 1 88 88 THR H H 88 7.142 7.142 7.252 -0.110 25830 7825 1 15 . 1 1 89 89 ASN N N 89 124.818 124.818 123.001 1.817 25830 7826 1 15 . 1 1 89 89 ASN HA H 89 4.819 4.819 4.747 0.072 25830 7827 1 15 . 1 1 89 89 ASN C C 89 173.325 173.325 176.214 -2.889 25830 7828 1 15 . 1 1 89 89 ASN CA C 89 48.483 48.483 52.942 -4.459 25830 7829 1 15 . 1 1 89 89 ASN CB C 89 34.958 34.958 38.432 -3.474 25830 7830 1 15 . 1 1 89 89 ASN H H 89 8.754 8.754 8.607 0.147 25830 7831 1 15 . 1 1 90 90 CYS N N 90 123.361 123.361 119.957 3.404 25830 7832 1 15 . 1 1 90 90 CYS HA H 90 4.174 4.174 4.377 -0.203 25830 7833 1 15 . 1 1 90 90 CYS C C 90 172.573 172.573 176.341 -3.768 25830 7834 1 15 . 1 1 90 90 CYS CA C 90 54.158 54.158 60.125 -5.967 25830 7835 1 15 . 1 1 90 90 CYS CB C 90 36.687 36.687 26.508 10.179 25830 7836 1 15 . 1 1 90 90 CYS H H 90 8.790 8.790 7.891 0.899 25830 7837 1 15 . 1 1 91 91 ASN N N 91 115.199 115.199 117.970 -2.771 25830 7838 1 15 . 1 1 91 91 ASN HA H 91 4.578 4.578 4.526 0.052 25830 7839 1 15 . 1 1 91 91 ASN C C 91 173.584 173.584 176.210 -2.626 25830 7840 1 15 . 1 1 91 91 ASN CA C 91 52.264 52.264 55.637 -3.373 25830 7841 1 15 . 1 1 91 91 ASN CB C 91 35.690 35.690 37.882 -2.192 25830 7842 1 15 . 1 1 91 91 ASN H H 91 8.320 8.320 8.748 -0.428 25830 7843 1 15 . 1 1 92 92 THR N N 92 107.497 107.497 109.585 -2.088 25830 7844 1 15 . 1 1 92 92 THR HA H 92 4.388 4.388 4.334 0.054 25830 7845 1 15 . 1 1 92 92 THR C C 92 171.702 171.702 175.428 -3.726 25830 7846 1 15 . 1 1 92 92 THR CA C 92 58.280 58.280 62.696 -4.415 25830 7847 1 15 . 1 1 92 92 THR CB C 92 66.107 66.107 70.294 -4.187 25830 7848 1 15 . 1 1 92 92 THR H H 92 7.338 7.338 7.416 -0.078 25830 7849 1 15 . 1 1 93 93 VAL N N 93 123.151 123.151 123.643 -0.492 25830 7850 1 15 . 1 1 93 93 VAL HA H 93 3.667 3.667 3.858 -0.191 25830 7851 1 15 . 1 1 93 93 VAL C C 93 172.207 172.207 175.821 -3.614 25830 7852 1 15 . 1 1 93 93 VAL CA C 93 59.846 59.846 63.835 -3.989 25830 7853 1 15 . 1 1 93 93 VAL CB C 93 29.999 29.999 31.073 -1.074 25830 7854 1 15 . 1 1 93 93 VAL H H 93 6.806 6.806 7.282 -0.476 25830 7855 1 15 . 1 1 94 94 ARG N N 94 127.129 127.129 127.420 -0.291 25830 7856 1 15 . 1 1 94 94 ARG HA H 94 4.339 4.339 4.460 -0.121 25830 7857 1 15 . 1 1 94 94 ARG C C 94 171.859 171.859 176.277 -4.418 25830 7858 1 15 . 1 1 94 94 ARG CA C 94 52.395 52.395 55.310 -2.915 25830 7859 1 15 . 1 1 94 94 ARG CB C 94 26.973 26.973 30.875 -3.902 25830 7860 1 15 . 1 1 94 94 ARG H H 94 8.201 8.201 8.161 0.040 25830 7861 1 16 . 1 1 2 2 LEU N N 2 123.438 123.438 121.203 2.235 25830 7862 1 16 . 1 1 2 2 LEU HA H 2 4.344 4.344 4.651 -0.307 25830 7863 1 16 . 1 1 2 2 LEU C C 2 172.388 172.388 176.115 -3.727 25830 7864 1 16 . 1 1 2 2 LEU CA C 2 52.560 52.560 55.004 -2.444 25830 7865 1 16 . 1 1 2 2 LEU CB C 2 40.603 40.603 42.348 -1.745 25830 7866 1 16 . 1 1 2 2 LEU H H 2 8.368 8.368 8.555 -0.187 25830 7867 1 16 . 1 1 3 3 SER N N 3 119.868 119.868 119.204 0.664 25830 7868 1 16 . 1 1 3 3 SER HA H 3 4.748 4.748 4.718 0.030 25830 7869 1 16 . 1 1 3 3 SER C C 3 173.163 173.163 175.640 -2.477 25830 7870 1 16 . 1 1 3 3 SER CA C 3 53.523 53.523 57.319 -3.796 25830 7871 1 16 . 1 1 3 3 SER CB C 3 62.412 62.412 65.677 -3.265 25830 7872 1 16 . 1 1 3 3 SER H H 3 8.550 8.550 8.262 0.288 25830 7873 1 16 . 1 1 4 4 CYS N N 4 120.408 120.408 126.918 -6.510 25830 7874 1 16 . 1 1 4 4 CYS HA H 4 4.586 4.586 4.318 0.268 25830 7875 1 16 . 1 1 4 4 CYS C C 4 175.067 175.067 177.013 -1.946 25830 7876 1 16 . 1 1 4 4 CYS CA C 4 52.166 52.166 60.866 -8.700 25830 7877 1 16 . 1 1 4 4 CYS CB C 4 30.372 30.372 26.655 3.717 25830 7878 1 16 . 1 1 4 4 CYS H H 4 9.222 9.222 9.120 0.102 25830 7879 1 16 . 1 1 5 5 GLY N N 5 110.663 110.663 107.110 3.553 25830 7880 1 16 . 1 1 5 5 GLY C C 5 174.023 174.023 175.206 -1.183 25830 7881 1 16 . 1 1 5 5 GLY CA C 5 44.577 44.577 47.413 -2.836 25830 7882 1 16 . 1 1 5 5 GLY H H 5 8.721 8.721 8.107 0.614 25830 7883 1 16 . 1 1 6 6 THR N N 6 118.884 118.884 115.904 2.980 25830 7884 1 16 . 1 1 6 6 THR HA H 6 4.031 4.031 4.510 -0.479 25830 7885 1 16 . 1 1 6 6 THR C C 6 172.782 172.782 175.923 -3.141 25830 7886 1 16 . 1 1 6 6 THR CA C 6 62.801 62.801 64.182 -1.381 25830 7887 1 16 . 1 1 6 6 THR CB C 6 65.896 65.896 69.610 -3.714 25830 7888 1 16 . 1 1 6 6 THR H H 6 7.676 7.676 7.807 -0.131 25830 7889 1 16 . 1 1 7 7 VAL N N 7 120.789 120.789 122.936 -2.147 25830 7890 1 16 . 1 1 7 7 VAL HA H 7 3.607 3.607 3.743 -0.136 25830 7891 1 16 . 1 1 7 7 VAL C C 7 174.356 174.356 178.069 -3.713 25830 7892 1 16 . 1 1 7 7 VAL CA C 7 63.774 63.774 65.258 -1.484 25830 7893 1 16 . 1 1 7 7 VAL CB C 7 28.610 28.610 31.145 -2.535 25830 7894 1 16 . 1 1 7 7 VAL H H 7 7.280 7.280 7.379 -0.099 25830 7895 1 16 . 1 1 8 8 SER N N 8 114.047 114.047 115.165 -1.118 25830 7896 1 16 . 1 1 8 8 SER HA H 8 3.858 3.858 4.131 -0.273 25830 7897 1 16 . 1 1 8 8 SER C C 8 173.948 173.948 176.141 -2.193 25830 7898 1 16 . 1 1 8 8 SER CA C 8 59.791 59.791 61.654 -1.863 25830 7899 1 16 . 1 1 8 8 SER CB C 8 59.242 59.242 62.777 -3.535 25830 7900 1 16 . 1 1 8 8 SER H H 8 8.501 8.501 7.968 0.533 25830 7901 1 16 . 1 1 9 9 ALA N N 9 123.669 123.669 123.204 0.465 25830 7902 1 16 . 1 1 9 9 ALA HA H 9 4.165 4.165 4.079 0.086 25830 7903 1 16 . 1 1 9 9 ALA C C 9 177.740 177.740 179.530 -1.790 25830 7904 1 16 . 1 1 9 9 ALA CA C 9 52.218 52.218 54.870 -2.652 25830 7905 1 16 . 1 1 9 9 ALA CB C 9 15.348 15.348 18.140 -2.792 25830 7906 1 16 . 1 1 9 9 ALA H H 9 7.685 7.685 7.387 0.298 25830 7907 1 16 . 1 1 10 10 ASP N N 10 118.653 118.653 117.543 1.110 25830 7908 1 16 . 1 1 10 10 ASP HA H 10 4.414 4.414 4.459 -0.045 25830 7909 1 16 . 1 1 10 10 ASP C C 10 173.327 173.327 177.674 -4.347 25830 7910 1 16 . 1 1 10 10 ASP CA C 10 53.357 53.357 55.940 -2.583 25830 7911 1 16 . 1 1 10 10 ASP CB C 10 35.579 35.579 40.644 -5.065 25830 7912 1 16 . 1 1 10 10 ASP H H 10 8.161 8.161 7.805 0.356 25830 7913 1 16 . 1 1 11 11 LEU N N 11 115.104 115.104 120.529 -5.425 25830 7914 1 16 . 1 1 11 11 LEU HA H 11 4.183 4.183 4.178 0.005 25830 7915 1 16 . 1 1 11 11 LEU C C 11 175.206 175.206 177.752 -2.546 25830 7916 1 16 . 1 1 11 11 LEU CA C 11 51.360 51.360 55.905 -4.545 25830 7917 1 16 . 1 1 11 11 LEU CB C 11 40.185 40.185 41.320 -1.135 25830 7918 1 16 . 1 1 11 11 LEU H H 11 7.731 7.731 7.309 0.422 25830 7919 1 16 . 1 1 12 12 ALA N N 12 124.133 124.133 122.613 1.520 25830 7920 1 16 . 1 1 12 12 ALA HA H 12 4.309 4.309 4.131 0.178 25830 7921 1 16 . 1 1 12 12 ALA C C 12 174.540 174.540 176.971 -2.431 25830 7922 1 16 . 1 1 12 12 ALA CA C 12 54.075 54.075 56.781 -2.706 25830 7923 1 16 . 1 1 12 12 ALA CB C 12 13.256 13.256 16.459 -3.203 25830 7924 1 16 . 1 1 12 12 ALA H H 12 7.481 7.481 7.835 -0.354 25830 7925 1 16 . 1 1 13 13 PRO HA H 13 4.674 4.674 4.480 0.194 25830 7926 1 16 . 1 1 13 13 PRO C C 13 174.824 174.824 176.608 -1.784 25830 7927 1 16 . 1 1 13 13 PRO CA C 13 61.982 61.982 64.489 -2.506 25830 7928 1 16 . 1 1 13 13 PRO CB C 13 28.804 28.804 31.241 -2.437 25830 7929 1 16 . 1 1 14 14 CYS N N 14 114.225 114.225 116.106 -1.881 25830 7930 1 16 . 1 1 14 14 CYS HA H 14 4.722 4.722 4.696 0.026 25830 7931 1 16 . 1 1 14 14 CYS C C 14 172.376 172.376 176.469 -4.093 25830 7932 1 16 . 1 1 14 14 CYS CA C 14 51.481 51.481 59.651 -8.171 25830 7933 1 16 . 1 1 14 14 CYS CB C 14 39.508 39.508 27.465 12.043 25830 7934 1 16 . 1 1 14 14 CYS H H 14 8.938 8.938 7.672 1.266 25830 7935 1 16 . 1 1 15 15 VAL N N 15 122.488 122.488 122.472 0.016 25830 7936 1 16 . 1 1 15 15 VAL HA H 15 3.350 3.350 3.655 -0.305 25830 7937 1 16 . 1 1 15 15 VAL C C 15 173.644 173.644 177.630 -3.986 25830 7938 1 16 . 1 1 15 15 VAL CA C 15 66.608 66.608 65.719 0.889 25830 7939 1 16 . 1 1 15 15 VAL CB C 15 28.692 28.692 31.021 -2.329 25830 7940 1 16 . 1 1 15 15 VAL H H 15 7.767 7.767 7.789 -0.022 25830 7941 1 16 . 1 1 16 16 THR N N 16 112.169 112.169 114.780 -2.611 25830 7942 1 16 . 1 1 16 16 THR HA H 16 4.012 4.012 3.901 0.111 25830 7943 1 16 . 1 1 16 16 THR C C 16 175.021 175.021 176.355 -1.334 25830 7944 1 16 . 1 1 16 16 THR CA C 16 63.879 63.879 66.469 -2.590 25830 7945 1 16 . 1 1 16 16 THR CB C 16 65.364 65.364 68.839 -3.475 25830 7946 1 16 . 1 1 16 16 THR H H 16 8.258 8.258 8.064 0.194 25830 7947 1 16 . 1 1 17 17 TYR N N 17 124.563 124.563 121.235 3.328 25830 7948 1 16 . 1 1 17 17 TYR HA H 17 4.265 4.265 4.328 -0.063 25830 7949 1 16 . 1 1 17 17 TYR C C 17 174.326 174.326 177.714 -3.388 25830 7950 1 16 . 1 1 17 17 TYR CA C 17 58.001 58.001 60.127 -2.126 25830 7951 1 16 . 1 1 17 17 TYR CB C 17 35.252 35.252 38.178 -2.926 25830 7952 1 16 . 1 1 17 17 TYR H H 17 8.280 8.280 8.211 0.069 25830 7953 1 16 . 1 1 18 18 LEU N N 18 119.213 119.213 119.310 -0.097 25830 7954 1 16 . 1 1 18 18 LEU HA H 18 3.630 3.630 3.672 -0.042 25830 7955 1 16 . 1 1 18 18 LEU C C 18 172.858 172.858 178.611 -5.753 25830 7956 1 16 . 1 1 18 18 LEU CA C 18 54.171 54.171 57.329 -3.158 25830 7957 1 16 . 1 1 18 18 LEU CB C 18 38.310 38.310 41.547 -3.237 25830 7958 1 16 . 1 1 18 18 LEU H H 18 8.394 8.394 7.895 0.499 25830 7959 1 16 . 1 1 19 19 GLN N N 19 114.782 114.782 115.169 -0.387 25830 7960 1 16 . 1 1 19 19 GLN HA H 19 4.582 4.582 4.429 0.153 25830 7961 1 16 . 1 1 19 19 GLN C C 19 172.754 172.754 175.823 -3.069 25830 7962 1 16 . 1 1 19 19 GLN CA C 19 52.320 52.320 56.013 -3.693 25830 7963 1 16 . 1 1 19 19 GLN CB C 19 27.954 27.954 29.787 -1.833 25830 7964 1 16 . 1 1 19 19 GLN H H 19 7.319 7.319 7.687 -0.368 25830 7965 1 16 . 1 1 20 20 ALA N N 20 126.473 126.473 123.057 3.416 25830 7966 1 16 . 1 1 20 20 ALA HA H 20 4.494 4.494 4.593 -0.099 25830 7967 1 16 . 1 1 20 20 ALA C C 20 171.072 171.072 175.231 -4.159 25830 7968 1 16 . 1 1 20 20 ALA CA C 20 48.862 48.862 50.022 -1.160 25830 7969 1 16 . 1 1 20 20 ALA CB C 20 15.610 15.610 18.673 -3.063 25830 7970 1 16 . 1 1 20 20 ALA H H 20 7.292 7.292 7.207 0.085 25830 7971 1 16 . 1 1 21 21 PRO HA H 21 4.440 4.440 4.458 -0.018 25830 7972 1 16 . 1 1 21 21 PRO C C 21 174.052 174.052 177.113 -3.061 25830 7973 1 16 . 1 1 21 21 PRO CA C 21 59.522 59.522 61.883 -2.361 25830 7974 1 16 . 1 1 21 21 PRO CB C 21 29.853 29.853 32.319 -2.466 25830 7975 1 16 . 1 1 22 22 ASN N N 22 117.448 117.448 118.106 -0.658 25830 7976 1 16 . 1 1 22 22 ASN HA H 22 4.754 4.754 4.569 0.185 25830 7977 1 16 . 1 1 22 22 ASN C C 22 173.299 173.299 176.604 -3.305 25830 7978 1 16 . 1 1 22 22 ASN CA C 22 51.478 51.478 55.617 -4.139 25830 7979 1 16 . 1 1 22 22 ASN CB C 22 35.291 35.291 37.786 -2.495 25830 7980 1 16 . 1 1 22 22 ASN H H 22 8.466 8.466 8.717 -0.251 25830 7981 1 16 . 1 1 23 23 ASN N N 23 113.171 113.171 116.666 -3.495 25830 7982 1 16 . 1 1 23 23 ASN HA H 23 4.555 4.555 4.552 0.003 25830 7983 1 16 . 1 1 23 23 ASN C C 23 172.210 172.210 174.930 -2.720 25830 7984 1 16 . 1 1 23 23 ASN CA C 23 50.626 50.626 53.635 -3.009 25830 7985 1 16 . 1 1 23 23 ASN CB C 23 34.278 34.278 38.764 -4.486 25830 7986 1 16 . 1 1 23 23 ASN H H 23 8.187 8.187 8.200 -0.013 25830 7987 1 16 . 1 1 24 24 ALA N N 24 122.578 122.578 122.317 0.261 25830 7988 1 16 . 1 1 24 24 ALA HA H 24 4.394 4.394 4.533 -0.139 25830 7989 1 16 . 1 1 24 24 ALA C C 24 173.708 173.708 176.398 -2.690 25830 7990 1 16 . 1 1 24 24 ALA CA C 24 49.696 49.696 52.032 -2.336 25830 7991 1 16 . 1 1 24 24 ALA CB C 24 18.288 18.288 20.009 -1.722 25830 7992 1 16 . 1 1 24 24 ALA H H 24 7.381 7.381 7.595 -0.214 25830 7993 1 16 . 1 1 25 25 SER N N 25 115.237 115.237 114.189 1.048 25830 7994 1 16 . 1 1 25 25 SER HA H 25 4.922 4.922 4.619 0.303 25830 7995 1 16 . 1 1 25 25 SER C C 25 181.107 181.107 172.363 8.744 25830 7996 1 16 . 1 1 25 25 SER CA C 25 53.033 53.033 55.609 -2.576 25830 7997 1 16 . 1 1 25 25 SER CB C 25 61.549 61.549 64.529 -2.980 25830 7998 1 16 . 1 1 25 25 SER H H 25 8.649 8.649 8.234 0.415 25830 7999 1 16 . 1 1 26 26 PRO HA H 26 4.014 4.014 4.298 -0.284 25830 8000 1 16 . 1 1 26 26 PRO CA C 26 57.292 57.292 60.932 -3.640 25830 8001 1 16 . 1 1 26 26 PRO CB C 26 27.450 27.450 30.932 -3.482 25830 8002 1 16 . 1 1 27 27 PRO HA H 27 4.881 4.881 4.718 0.163 25830 8003 1 16 . 1 1 27 27 PRO CA C 27 58.500 58.500 60.914 -2.414 25830 8004 1 16 . 1 1 27 27 PRO CB C 27 28.489 28.489 30.828 -2.339 25830 8005 1 16 . 1 1 28 28 PRO HA H 28 4.421 4.421 4.250 0.171 25830 8006 1 16 . 1 1 28 28 PRO CA C 28 64.505 64.505 66.516 -2.011 25830 8007 1 16 . 1 1 28 28 PRO CB C 28 26.217 26.217 29.798 -3.581 25830 8008 1 16 . 1 1 29 29 PRO HA H 29 4.477 4.477 4.417 0.060 25830 8009 1 16 . 1 1 29 29 PRO C C 29 177.330 177.330 178.610 -1.280 25830 8010 1 16 . 1 1 29 29 PRO CA C 29 62.883 62.883 65.160 -2.277 25830 8011 1 16 . 1 1 29 29 PRO CB C 29 28.301 28.301 31.161 -2.860 25830 8012 1 16 . 1 1 30 30 CYS N N 30 114.694 114.694 117.980 -3.286 25830 8013 1 16 . 1 1 30 30 CYS HA H 30 4.456 4.456 4.247 0.209 25830 8014 1 16 . 1 1 30 30 CYS C C 30 172.260 172.260 176.568 -4.308 25830 8015 1 16 . 1 1 30 30 CYS CA C 30 55.585 55.585 61.892 -6.307 25830 8016 1 16 . 1 1 30 30 CYS CB C 30 34.602 34.602 26.090 8.512 25830 8017 1 16 . 1 1 30 30 CYS H H 30 7.637 7.637 7.631 0.006 25830 8018 1 16 . 1 1 31 31 CYS N N 31 116.335 116.335 121.047 -4.712 25830 8019 1 16 . 1 1 31 31 CYS HA H 31 4.607 4.607 4.078 0.529 25830 8020 1 16 . 1 1 31 31 CYS C C 31 174.401 174.401 177.311 -2.910 25830 8021 1 16 . 1 1 31 31 CYS CA C 31 51.858 51.858 63.561 -11.703 25830 8022 1 16 . 1 1 31 31 CYS CB C 31 29.979 29.979 25.660 4.319 25830 8023 1 16 . 1 1 31 31 CYS H H 31 7.083 7.083 8.079 -0.996 25830 8024 1 16 . 1 1 32 32 ALA N N 32 121.738 121.738 121.565 0.173 25830 8025 1 16 . 1 1 32 32 ALA HA H 32 4.070 4.070 3.971 0.099 25830 8026 1 16 . 1 1 32 32 ALA C C 32 177.730 177.730 179.428 -1.698 25830 8027 1 16 . 1 1 32 32 ALA CA C 32 52.557 52.557 55.394 -2.837 25830 8028 1 16 . 1 1 32 32 ALA CB C 32 15.204 15.204 17.943 -2.739 25830 8029 1 16 . 1 1 32 32 ALA H H 32 8.481 8.481 7.843 0.638 25830 8030 1 16 . 1 1 33 33 GLY N N 33 108.715 108.715 106.344 2.371 25830 8031 1 16 . 1 1 33 33 GLY C C 33 172.825 172.825 176.319 -3.494 25830 8032 1 16 . 1 1 33 33 GLY CA C 33 44.748 44.748 47.232 -2.484 25830 8033 1 16 . 1 1 33 33 GLY H H 33 7.683 7.683 7.789 -0.106 25830 8034 1 16 . 1 1 34 34 VAL N N 34 121.079 121.079 121.311 -0.232 25830 8035 1 16 . 1 1 34 34 VAL HA H 34 3.489 3.489 3.723 -0.234 25830 8036 1 16 . 1 1 34 34 VAL C C 34 174.764 174.764 178.509 -3.745 25830 8037 1 16 . 1 1 34 34 VAL CA C 34 63.930 63.930 66.383 -2.453 25830 8038 1 16 . 1 1 34 34 VAL CB C 34 29.037 29.037 31.595 -2.558 25830 8039 1 16 . 1 1 34 34 VAL H H 34 8.085 8.085 7.512 0.573 25830 8040 1 16 . 1 1 35 35 LYS N N 35 117.845 117.845 119.294 -1.449 25830 8041 1 16 . 1 1 35 35 LYS HA H 35 3.814 3.814 4.082 -0.268 25830 8042 1 16 . 1 1 35 35 LYS C C 35 176.677 176.677 179.176 -2.499 25830 8043 1 16 . 1 1 35 35 LYS CA C 35 57.849 57.849 59.225 -1.376 25830 8044 1 16 . 1 1 35 35 LYS CB C 35 29.635 29.635 31.954 -2.319 25830 8045 1 16 . 1 1 35 35 LYS H H 35 8.089 8.089 7.733 0.356 25830 8046 1 16 . 1 1 36 36 LYS N N 36 120.507 120.507 120.550 -0.043 25830 8047 1 16 . 1 1 36 36 LYS HA H 36 3.946 3.946 4.108 -0.162 25830 8048 1 16 . 1 1 36 36 LYS C C 36 176.481 176.481 178.419 -1.938 25830 8049 1 16 . 1 1 36 36 LYS CA C 36 56.889 56.889 58.946 -2.057 25830 8050 1 16 . 1 1 36 36 LYS CB C 36 29.999 29.999 32.387 -2.388 25830 8051 1 16 . 1 1 36 36 LYS H H 36 7.940 7.940 7.795 0.145 25830 8052 1 16 . 1 1 37 37 LEU N N 37 121.929 121.929 120.670 1.259 25830 8053 1 16 . 1 1 37 37 LEU HA H 37 4.012 4.012 4.112 -0.099 25830 8054 1 16 . 1 1 37 37 LEU C C 37 175.490 175.490 177.966 -2.476 25830 8055 1 16 . 1 1 37 37 LEU CA C 37 55.567 55.567 56.876 -1.309 25830 8056 1 16 . 1 1 37 37 LEU CB C 37 38.621 38.621 41.016 -2.394 25830 8057 1 16 . 1 1 37 37 LEU H H 37 7.882 7.882 7.557 0.325 25830 8058 1 16 . 1 1 38 38 LEU N N 38 117.061 117.061 119.212 -2.151 25830 8059 1 16 . 1 1 38 38 LEU HA H 38 4.050 4.050 4.037 0.013 25830 8060 1 16 . 1 1 38 38 LEU C C 38 177.275 177.275 178.172 -0.897 25830 8061 1 16 . 1 1 38 38 LEU CA C 38 54.535 54.535 57.324 -2.789 25830 8062 1 16 . 1 1 38 38 LEU CB C 38 38.448 38.448 40.953 -2.505 25830 8063 1 16 . 1 1 38 38 LEU H H 38 7.812 7.812 7.449 0.363 25830 8064 1 16 . 1 1 39 39 ALA N N 39 119.986 119.986 118.222 1.764 25830 8065 1 16 . 1 1 39 39 ALA HA H 39 4.105 4.105 4.257 -0.152 25830 8066 1 16 . 1 1 39 39 ALA C C 39 175.721 175.721 178.091 -2.370 25830 8067 1 16 . 1 1 39 39 ALA CA C 39 50.910 50.910 52.729 -1.819 25830 8068 1 16 . 1 1 39 39 ALA CB C 39 15.545 15.545 19.367 -3.822 25830 8069 1 16 . 1 1 39 39 ALA H H 39 7.914 7.914 7.581 0.333 25830 8070 1 16 . 1 1 40 40 ALA N N 40 118.015 118.015 122.004 -3.989 25830 8071 1 16 . 1 1 40 40 ALA HA H 40 4.266 4.266 4.110 0.156 25830 8072 1 16 . 1 1 40 40 ALA C C 40 174.416 174.416 177.890 -3.474 25830 8073 1 16 . 1 1 40 40 ALA CA C 40 49.886 49.886 53.643 -3.757 25830 8074 1 16 . 1 1 40 40 ALA CB C 40 16.330 16.330 19.414 -3.084 25830 8075 1 16 . 1 1 40 40 ALA H H 40 7.302 7.302 7.610 -0.308 25830 8076 1 16 . 1 1 41 41 ALA N N 41 122.389 122.389 119.118 3.271 25830 8077 1 16 . 1 1 41 41 ALA HA H 41 4.605 4.605 4.218 0.387 25830 8078 1 16 . 1 1 41 41 ALA C C 41 172.709 172.709 176.315 -3.606 25830 8079 1 16 . 1 1 41 41 ALA CA C 41 47.917 47.917 52.075 -4.157 25830 8080 1 16 . 1 1 41 41 ALA CB C 41 15.072 15.072 19.831 -4.759 25830 8081 1 16 . 1 1 41 41 ALA H H 41 7.304 7.304 7.441 -0.137 25830 8082 1 16 . 1 1 42 42 THR N N 42 113.142 113.142 112.316 0.826 25830 8083 1 16 . 1 1 42 42 THR HA H 42 4.422 4.422 4.439 -0.017 25830 8084 1 16 . 1 1 42 42 THR C C 42 172.086 172.086 174.559 -2.473 25830 8085 1 16 . 1 1 42 42 THR CA C 42 59.772 59.772 62.636 -2.864 25830 8086 1 16 . 1 1 42 42 THR CB C 42 66.992 66.992 70.258 -3.266 25830 8087 1 16 . 1 1 42 42 THR H H 42 8.663 8.663 8.204 0.459 25830 8088 1 16 . 1 1 43 43 THR N N 43 111.501 111.501 112.538 -1.037 25830 8089 1 16 . 1 1 43 43 THR HA H 43 4.704 4.704 4.576 0.128 25830 8090 1 16 . 1 1 43 43 THR C C 43 172.283 172.283 175.140 -2.857 25830 8091 1 16 . 1 1 43 43 THR CA C 43 56.869 56.869 60.070 -3.201 25830 8092 1 16 . 1 1 43 43 THR CB C 43 69.211 69.211 70.807 -1.596 25830 8093 1 16 . 1 1 43 43 THR H H 43 7.705 7.705 7.454 0.251 25830 8094 1 16 . 1 1 44 44 THR N N 44 119.157 119.157 115.219 3.938 25830 8095 1 16 . 1 1 44 44 THR HA H 44 3.861 3.861 4.249 -0.388 25830 8096 1 16 . 1 1 44 44 THR CA C 44 66.420 66.420 67.126 -0.706 25830 8097 1 16 . 1 1 44 44 THR CB C 44 63.702 63.702 66.992 -3.290 25830 8098 1 16 . 1 1 44 44 THR H H 44 9.305 9.305 8.434 0.871 25830 8099 1 16 . 1 1 45 45 PRO HA H 45 4.345 4.345 4.280 0.065 25830 8100 1 16 . 1 1 45 45 PRO C C 45 177.238 177.238 177.913 -0.675 25830 8101 1 16 . 1 1 45 45 PRO CA C 45 63.192 63.192 65.111 -1.919 25830 8102 1 16 . 1 1 45 45 PRO CB C 45 28.232 28.232 31.322 -3.090 25830 8103 1 16 . 1 1 46 46 ASP N N 46 117.412 117.412 119.575 -2.163 25830 8104 1 16 . 1 1 46 46 ASP HA H 46 4.571 4.571 4.396 0.175 25830 8105 1 16 . 1 1 46 46 ASP C C 46 175.358 175.358 178.109 -2.751 25830 8106 1 16 . 1 1 46 46 ASP CA C 46 54.436 54.436 56.726 -2.290 25830 8107 1 16 . 1 1 46 46 ASP CB C 46 37.884 37.884 40.429 -2.545 25830 8108 1 16 . 1 1 46 46 ASP H H 46 7.238 7.238 8.016 -0.778 25830 8109 1 16 . 1 1 47 47 ARG N N 47 122.342 122.342 118.046 4.296 25830 8110 1 16 . 1 1 47 47 ARG HA H 47 3.754 3.754 4.035 -0.281 25830 8111 1 16 . 1 1 47 47 ARG C C 47 176.688 176.688 178.855 -2.167 25830 8112 1 16 . 1 1 47 47 ARG CA C 47 57.351 57.351 58.920 -1.569 25830 8113 1 16 . 1 1 47 47 ARG CB C 47 26.606 26.606 30.003 -3.397 25830 8114 1 16 . 1 1 47 47 ARG H H 47 8.383 8.383 7.519 0.864 25830 8115 1 16 . 1 1 48 48 GLN N N 48 120.813 120.813 118.481 2.332 25830 8116 1 16 . 1 1 48 48 GLN HA H 48 3.650 3.650 3.994 -0.344 25830 8117 1 16 . 1 1 48 48 GLN C C 48 175.354 175.354 177.511 -2.157 25830 8118 1 16 . 1 1 48 48 GLN CA C 48 56.742 56.742 58.694 -1.952 25830 8119 1 16 . 1 1 48 48 GLN CB C 48 25.406 25.406 28.360 -2.954 25830 8120 1 16 . 1 1 48 48 GLN H H 48 8.176 8.176 7.671 0.505 25830 8121 1 16 . 1 1 49 49 ALA N N 49 122.476 122.476 121.834 0.642 25830 8122 1 16 . 1 1 49 49 ALA HA H 49 4.224 4.224 3.851 0.373 25830 8123 1 16 . 1 1 49 49 ALA C C 49 177.581 177.581 178.797 -1.216 25830 8124 1 16 . 1 1 49 49 ALA CA C 49 52.410 52.410 54.961 -2.551 25830 8125 1 16 . 1 1 49 49 ALA CB C 49 15.305 15.305 18.129 -2.824 25830 8126 1 16 . 1 1 49 49 ALA H H 49 8.079 8.079 7.406 0.673 25830 8127 1 16 . 1 1 50 50 ALA N N 50 121.104 121.104 120.155 0.949 25830 8128 1 16 . 1 1 50 50 ALA HA H 50 3.686 3.686 3.897 -0.211 25830 8129 1 16 . 1 1 50 50 ALA C C 50 175.478 175.478 178.525 -3.047 25830 8130 1 16 . 1 1 50 50 ALA CA C 50 53.344 53.344 55.475 -2.131 25830 8131 1 16 . 1 1 50 50 ALA CB C 50 14.032 14.032 18.080 -4.048 25830 8132 1 16 . 1 1 50 50 ALA H H 50 8.494 8.494 7.764 0.730 25830 8133 1 16 . 1 1 51 51 CYS N N 51 117.063 117.063 117.504 -0.441 25830 8134 1 16 . 1 1 51 51 CYS HA H 51 4.091 4.091 4.210 -0.119 25830 8135 1 16 . 1 1 51 51 CYS C C 51 173.692 173.692 176.825 -3.133 25830 8136 1 16 . 1 1 51 51 CYS CA C 51 57.660 57.660 60.956 -3.296 25830 8137 1 16 . 1 1 51 51 CYS CB C 51 34.278 34.278 25.619 8.659 25830 8138 1 16 . 1 1 51 51 CYS H H 51 7.466 7.466 7.872 -0.406 25830 8139 1 16 . 1 1 52 52 ASN N N 52 120.867 120.867 118.071 2.796 25830 8140 1 16 . 1 1 52 52 ASN HA H 52 4.403 4.403 4.469 -0.066 25830 8141 1 16 . 1 1 52 52 ASN C C 52 176.290 176.290 176.720 -0.430 25830 8142 1 16 . 1 1 52 52 ASN CA C 52 54.177 54.177 56.152 -1.975 25830 8143 1 16 . 1 1 52 52 ASN CB C 52 36.302 36.302 38.199 -1.897 25830 8144 1 16 . 1 1 52 52 ASN H H 52 8.164 8.164 7.690 0.474 25830 8145 1 16 . 1 1 53 53 CYS N N 53 119.542 119.542 120.604 -1.062 25830 8146 1 16 . 1 1 53 53 CYS HA H 53 4.543 4.543 4.199 0.344 25830 8147 1 16 . 1 1 53 53 CYS C C 53 175.294 175.294 176.728 -1.434 25830 8148 1 16 . 1 1 53 53 CYS CA C 53 53.637 53.637 61.614 -7.977 25830 8149 1 16 . 1 1 53 53 CYS CB C 53 34.302 34.302 26.035 8.267 25830 8150 1 16 . 1 1 53 53 CYS H H 53 8.974 8.974 7.804 1.170 25830 8151 1 16 . 1 1 54 54 LEU N N 54 124.510 124.510 118.426 6.084 25830 8152 1 16 . 1 1 54 54 LEU HA H 54 3.964 3.964 3.887 0.077 25830 8153 1 16 . 1 1 54 54 LEU C C 54 175.082 175.082 178.977 -3.895 25830 8154 1 16 . 1 1 54 54 LEU CA C 54 55.725 55.725 57.632 -1.907 25830 8155 1 16 . 1 1 54 54 LEU CB C 54 39.035 39.035 41.438 -2.403 25830 8156 1 16 . 1 1 54 54 LEU H H 54 8.794 8.794 7.871 0.923 25830 8157 1 16 . 1 1 55 55 LYS N N 55 120.615 120.615 119.204 1.411 25830 8158 1 16 . 1 1 55 55 LYS HA H 55 3.929 3.929 4.052 -0.123 25830 8159 1 16 . 1 1 55 55 LYS C C 55 176.860 176.860 178.453 -1.593 25830 8160 1 16 . 1 1 55 55 LYS CA C 55 57.089 57.089 59.265 -2.176 25830 8161 1 16 . 1 1 55 55 LYS CB C 55 30.420 30.420 32.348 -1.928 25830 8162 1 16 . 1 1 55 55 LYS H H 55 8.119 8.119 7.593 0.526 25830 8163 1 16 . 1 1 56 56 SER N N 56 113.653 113.653 116.261 -2.608 25830 8164 1 16 . 1 1 56 56 SER HA H 56 4.202 4.202 4.183 0.019 25830 8165 1 16 . 1 1 56 56 SER C C 56 175.009 175.009 176.886 -1.877 25830 8166 1 16 . 1 1 56 56 SER CA C 56 58.397 58.397 61.390 -2.993 25830 8167 1 16 . 1 1 56 56 SER CB C 56 60.063 60.063 63.019 -2.956 25830 8168 1 16 . 1 1 56 56 SER H H 56 7.746 7.746 7.624 0.122 25830 8169 1 16 . 1 1 57 57 ALA N N 57 125.184 125.184 123.346 1.838 25830 8170 1 16 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.048 0.025 25830 8171 1 16 . 1 1 57 57 ALA C C 57 177.735 177.735 179.408 -1.673 25830 8172 1 16 . 1 1 57 57 ALA CA C 57 52.222 52.222 54.620 -2.398 25830 8173 1 16 . 1 1 57 57 ALA CB C 57 14.710 14.710 18.103 -3.393 25830 8174 1 16 . 1 1 57 57 ALA H H 57 8.370 8.370 7.772 0.598 25830 8175 1 16 . 1 1 58 58 ALA N N 58 119.288 119.288 121.030 -1.742 25830 8176 1 16 . 1 1 58 58 ALA HA H 58 3.873 3.873 4.142 -0.269 25830 8177 1 16 . 1 1 58 58 ALA C C 58 176.201 176.201 179.676 -3.475 25830 8178 1 16 . 1 1 58 58 ALA CA C 58 52.154 52.154 54.419 -2.264 25830 8179 1 16 . 1 1 58 58 ALA CB C 58 13.944 13.944 18.531 -4.587 25830 8180 1 16 . 1 1 58 58 ALA H H 58 8.355 8.355 7.637 0.718 25830 8181 1 16 . 1 1 59 59 GLY N N 59 101.896 101.896 104.645 -2.749 25830 8182 1 16 . 1 1 59 59 GLY C C 59 171.619 171.619 174.723 -3.104 25830 8183 1 16 . 1 1 59 59 GLY CA C 59 43.245 43.245 45.746 -2.501 25830 8184 1 16 . 1 1 59 59 GLY H H 59 7.613 7.613 8.105 -0.492 25830 8185 1 16 . 1 1 60 60 SER N N 60 114.297 114.297 115.289 -0.992 25830 8186 1 16 . 1 1 60 60 SER HA H 60 4.548 4.548 4.587 -0.039 25830 8187 1 16 . 1 1 60 60 SER C C 60 171.232 171.232 173.898 -2.666 25830 8188 1 16 . 1 1 60 60 SER CA C 60 55.817 55.817 58.209 -2.392 25830 8189 1 16 . 1 1 60 60 SER CB C 60 61.793 61.793 64.518 -2.725 25830 8190 1 16 . 1 1 60 60 SER H H 60 7.570 7.570 7.706 -0.136 25830 8191 1 16 . 1 1 61 61 ILE N N 61 125.096 125.096 125.197 -0.101 25830 8192 1 16 . 1 1 61 61 ILE HA H 61 4.272 4.272 4.452 -0.180 25830 8193 1 16 . 1 1 61 61 ILE C C 61 170.966 170.966 174.221 -3.255 25830 8194 1 16 . 1 1 61 61 ILE CA C 61 56.364 56.364 58.341 -1.977 25830 8195 1 16 . 1 1 61 61 ILE CB C 61 36.307 36.307 39.113 -2.806 25830 8196 1 16 . 1 1 61 61 ILE H H 61 7.222 7.222 7.382 -0.160 25830 8197 1 16 . 1 1 62 62 PRO HA H 62 4.317 4.317 4.372 -0.055 25830 8198 1 16 . 1 1 62 62 PRO C C 62 173.935 173.935 176.136 -2.201 25830 8199 1 16 . 1 1 62 62 PRO CA C 62 60.634 60.634 63.144 -2.510 25830 8200 1 16 . 1 1 62 62 PRO CB C 62 29.399 29.399 31.743 -2.344 25830 8201 1 16 . 1 1 63 63 LYS N N 63 115.837 115.837 116.769 -0.932 25830 8202 1 16 . 1 1 63 63 LYS HA H 63 3.916 3.916 3.799 0.117 25830 8203 1 16 . 1 1 63 63 LYS C C 63 172.800 172.800 176.276 -3.476 25830 8204 1 16 . 1 1 63 63 LYS CA C 63 53.303 53.303 56.855 -3.553 25830 8205 1 16 . 1 1 63 63 LYS CB C 63 26.973 26.973 30.392 -3.419 25830 8206 1 16 . 1 1 63 63 LYS H H 63 8.584 8.584 8.470 0.114 25830 8207 1 16 . 1 1 64 64 LEU N N 64 118.672 118.672 120.114 -1.442 25830 8208 1 16 . 1 1 64 64 LEU HA H 64 3.625 3.625 4.027 -0.402 25830 8209 1 16 . 1 1 64 64 LEU C C 64 173.690 173.690 176.097 -2.407 25830 8210 1 16 . 1 1 64 64 LEU CA C 64 53.929 53.929 56.055 -2.126 25830 8211 1 16 . 1 1 64 64 LEU CB C 64 39.878 39.878 42.280 -2.402 25830 8212 1 16 . 1 1 64 64 LEU H H 64 7.116 7.116 7.496 -0.380 25830 8213 1 16 . 1 1 65 65 ASN N N 65 125.562 125.562 125.732 -0.170 25830 8214 1 16 . 1 1 65 65 ASN HA H 65 4.879 4.879 4.981 -0.102 25830 8215 1 16 . 1 1 65 65 ASN C C 65 174.338 174.338 175.987 -1.649 25830 8216 1 16 . 1 1 65 65 ASN CA C 65 48.862 48.862 51.632 -2.770 25830 8217 1 16 . 1 1 65 65 ASN CB C 65 34.238 34.238 38.970 -4.732 25830 8218 1 16 . 1 1 65 65 ASN H H 65 9.348 9.348 8.519 0.829 25830 8219 1 16 . 1 1 66 66 THR N N 66 118.448 118.448 118.268 0.180 25830 8220 1 16 . 1 1 66 66 THR HA H 66 3.840 3.840 3.968 -0.128 25830 8221 1 16 . 1 1 66 66 THR C C 66 174.820 174.820 175.690 -0.870 25830 8222 1 16 . 1 1 66 66 THR CA C 66 62.576 62.576 66.151 -3.575 25830 8223 1 16 . 1 1 66 66 THR CB C 66 65.348 65.348 68.560 -3.212 25830 8224 1 16 . 1 1 66 66 THR H H 66 8.735 8.735 8.386 0.349 25830 8225 1 16 . 1 1 67 67 ASN N N 67 121.545 121.545 119.138 2.407 25830 8226 1 16 . 1 1 67 67 ASN HA H 67 4.460 4.460 4.385 0.075 25830 8227 1 16 . 1 1 67 67 ASN C C 67 174.825 174.825 176.929 -2.104 25830 8228 1 16 . 1 1 67 67 ASN CA C 67 53.781 53.781 56.339 -2.558 25830 8229 1 16 . 1 1 67 67 ASN CB C 67 35.495 35.495 37.880 -2.385 25830 8230 1 16 . 1 1 67 67 ASN H H 67 8.229 8.229 8.503 -0.274 25830 8231 1 16 . 1 1 68 68 ASN N N 68 122.399 122.399 118.441 3.958 25830 8232 1 16 . 1 1 68 68 ASN HA H 68 4.463 4.463 4.438 0.025 25830 8233 1 16 . 1 1 68 68 ASN C C 68 175.357 175.357 176.246 -0.889 25830 8234 1 16 . 1 1 68 68 ASN CA C 68 52.009 52.009 55.384 -3.375 25830 8235 1 16 . 1 1 68 68 ASN CB C 68 32.853 32.853 37.905 -5.052 25830 8236 1 16 . 1 1 68 68 ASN H H 68 7.153 7.153 7.863 -0.710 25830 8237 1 16 . 1 1 69 69 ALA N N 69 123.588 123.588 121.075 2.513 25830 8238 1 16 . 1 1 69 69 ALA HA H 69 3.930 3.930 4.175 -0.245 25830 8239 1 16 . 1 1 69 69 ALA C C 69 175.919 175.919 178.214 -2.295 25830 8240 1 16 . 1 1 69 69 ALA CA C 69 53.087 53.087 54.389 -1.302 25830 8241 1 16 . 1 1 69 69 ALA CB C 69 14.867 14.867 18.287 -3.420 25830 8242 1 16 . 1 1 69 69 ALA H H 69 7.942 7.942 7.369 0.573 25830 8243 1 16 . 1 1 70 70 ALA N N 70 117.736 117.736 119.328 -1.592 25830 8244 1 16 . 1 1 70 70 ALA HA H 70 4.250 4.250 4.307 -0.057 25830 8245 1 16 . 1 1 70 70 ALA C C 70 176.704 176.704 178.571 -1.867 25830 8246 1 16 . 1 1 70 70 ALA CA C 70 51.706 51.706 54.238 -2.532 25830 8247 1 16 . 1 1 70 70 ALA CB C 70 15.507 15.507 19.180 -3.673 25830 8248 1 16 . 1 1 70 70 ALA H H 70 7.574 7.574 7.340 0.234 25830 8249 1 16 . 1 1 71 71 ALA N N 71 117.858 117.858 120.735 -2.877 25830 8250 1 16 . 1 1 71 71 ALA HA H 71 4.321 4.321 4.435 -0.114 25830 8251 1 16 . 1 1 71 71 ALA C C 71 175.190 175.190 179.219 -4.029 25830 8252 1 16 . 1 1 71 71 ALA CA C 71 50.142 50.142 53.633 -3.491 25830 8253 1 16 . 1 1 71 71 ALA CB C 71 16.908 16.908 18.353 -1.445 25830 8254 1 16 . 1 1 71 71 ALA H H 71 7.676 7.676 7.314 0.362 25830 8255 1 16 . 1 1 72 72 LEU N N 72 117.566 117.566 121.858 -4.292 25830 8256 1 16 . 1 1 72 72 LEU HA H 72 4.097 4.097 4.323 -0.226 25830 8257 1 16 . 1 1 72 72 LEU C C 72 170.406 170.406 175.865 -5.459 25830 8258 1 16 . 1 1 72 72 LEU CA C 72 57.688 57.688 59.497 -1.809 25830 8259 1 16 . 1 1 72 72 LEU CB C 72 36.632 36.632 39.394 -2.762 25830 8260 1 16 . 1 1 72 72 LEU H H 72 7.494 7.494 7.805 -0.311 25830 8261 1 16 . 1 1 73 73 PRO HA H 73 3.793 3.793 4.343 -0.550 25830 8262 1 16 . 1 1 73 73 PRO C C 73 176.416 176.416 179.128 -2.712 25830 8263 1 16 . 1 1 73 73 PRO CA C 73 64.431 64.431 65.564 -1.133 25830 8264 1 16 . 1 1 73 73 PRO CB C 73 27.928 27.928 30.898 -2.970 25830 8265 1 16 . 1 1 74 74 GLY N N 74 106.170 106.170 107.416 -1.246 25830 8266 1 16 . 1 1 74 74 GLY C C 74 176.081 176.081 176.385 -0.304 25830 8267 1 16 . 1 1 74 74 GLY CA C 74 44.577 44.577 47.211 -2.634 25830 8268 1 16 . 1 1 74 74 GLY H H 74 8.374 8.374 8.136 0.238 25830 8269 1 16 . 1 1 75 75 LYS N N 75 121.379 121.379 119.277 2.102 25830 8270 1 16 . 1 1 75 75 LYS HA H 75 4.162 4.162 4.173 -0.011 25830 8271 1 16 . 1 1 75 75 LYS C C 75 175.735 175.735 178.140 -2.405 25830 8272 1 16 . 1 1 75 75 LYS CA C 75 56.053 56.053 57.903 -1.850 25830 8273 1 16 . 1 1 75 75 LYS CB C 75 30.087 30.087 32.014 -1.927 25830 8274 1 16 . 1 1 75 75 LYS H H 75 8.417 8.417 8.312 0.105 25830 8275 1 16 . 1 1 76 76 CYS N N 76 115.021 115.021 116.064 -1.043 25830 8276 1 16 . 1 1 76 76 CYS HA H 76 4.895 4.895 4.377 0.518 25830 8277 1 16 . 1 1 76 76 CYS C C 76 172.300 172.300 176.129 -3.829 25830 8278 1 16 . 1 1 76 76 CYS CA C 76 49.730 49.730 59.778 -10.048 25830 8279 1 16 . 1 1 76 76 CYS CB C 76 32.817 32.817 26.871 5.946 25830 8280 1 16 . 1 1 76 76 CYS H H 76 7.756 7.756 7.676 0.080 25830 8281 1 16 . 1 1 77 77 GLY N N 77 109.352 109.352 109.422 -0.070 25830 8282 1 16 . 1 1 77 77 GLY C C 77 171.753 171.753 174.313 -2.560 25830 8283 1 16 . 1 1 77 77 GLY CA C 77 43.794 43.794 45.418 -1.624 25830 8284 1 16 . 1 1 77 77 GLY H H 77 7.894 7.894 7.692 0.202 25830 8285 1 16 . 1 1 78 78 VAL N N 78 115.528 115.528 115.941 -0.413 25830 8286 1 16 . 1 1 78 78 VAL HA H 78 4.491 4.491 4.834 -0.343 25830 8287 1 16 . 1 1 78 78 VAL C C 78 171.256 171.256 174.933 -3.677 25830 8288 1 16 . 1 1 78 78 VAL CA C 78 56.800 56.800 59.361 -2.561 25830 8289 1 16 . 1 1 78 78 VAL CB C 78 31.741 31.741 33.621 -1.880 25830 8290 1 16 . 1 1 78 78 VAL H H 78 8.137 8.137 7.640 0.497 25830 8291 1 16 . 1 1 79 79 SER N N 79 116.418 116.418 115.639 0.779 25830 8292 1 16 . 1 1 79 79 SER HA H 79 4.583 4.583 4.856 -0.273 25830 8293 1 16 . 1 1 79 79 SER C C 79 170.681 170.681 174.049 -3.368 25830 8294 1 16 . 1 1 79 79 SER CA C 79 54.258 54.258 57.805 -3.547 25830 8295 1 16 . 1 1 79 79 SER CB C 79 61.468 61.468 63.987 -2.519 25830 8296 1 16 . 1 1 79 79 SER H H 79 8.124 8.124 8.141 -0.017 25830 8297 1 16 . 1 1 80 80 ILE N N 80 120.257 120.257 120.911 -0.654 25830 8298 1 16 . 1 1 80 80 ILE HA H 80 4.639 4.639 4.591 0.048 25830 8299 1 16 . 1 1 80 80 ILE C C 80 172.830 172.830 173.797 -0.967 25830 8300 1 16 . 1 1 80 80 ILE CA C 80 55.333 55.333 58.567 -3.234 25830 8301 1 16 . 1 1 80 80 ILE CB C 80 38.093 38.093 38.116 -0.023 25830 8302 1 16 . 1 1 80 80 ILE H H 80 8.089 8.089 8.298 -0.209 25830 8303 1 16 . 1 1 81 81 PRO HA H 81 4.547 4.547 4.471 0.076 25830 8304 1 16 . 1 1 81 81 PRO C C 81 171.325 171.325 175.725 -4.400 25830 8305 1 16 . 1 1 81 81 PRO CA C 81 60.903 60.903 64.039 -3.136 25830 8306 1 16 . 1 1 81 81 PRO CB C 81 27.693 27.693 32.221 -4.529 25830 8307 1 16 . 1 1 82 82 TYR N N 82 115.259 115.259 115.990 -0.731 25830 8308 1 16 . 1 1 82 82 TYR HA H 82 4.732 4.732 4.791 -0.059 25830 8309 1 16 . 1 1 82 82 TYR C C 82 170.187 170.187 174.092 -3.905 25830 8310 1 16 . 1 1 82 82 TYR CA C 82 51.930 51.930 55.662 -3.732 25830 8311 1 16 . 1 1 82 82 TYR CB C 82 37.275 37.275 39.776 -2.501 25830 8312 1 16 . 1 1 82 82 TYR H H 82 6.642 6.642 7.160 -0.518 25830 8313 1 16 . 1 1 83 83 LYS N N 83 116.992 116.992 119.610 -2.618 25830 8314 1 16 . 1 1 83 83 LYS HA H 83 4.464 4.464 4.537 -0.073 25830 8315 1 16 . 1 1 83 83 LYS C C 83 174.342 174.342 175.260 -0.918 25830 8316 1 16 . 1 1 83 83 LYS CA C 83 51.653 51.653 55.214 -3.561 25830 8317 1 16 . 1 1 83 83 LYS CB C 83 31.513 31.513 35.944 -4.431 25830 8318 1 16 . 1 1 83 83 LYS H H 83 8.301 8.301 8.601 -0.300 25830 8319 1 16 . 1 1 84 84 ILE N N 84 126.906 126.906 122.587 4.319 25830 8320 1 16 . 1 1 84 84 ILE HA H 84 3.913 3.913 4.306 -0.393 25830 8321 1 16 . 1 1 84 84 ILE C C 84 170.945 170.945 175.102 -4.157 25830 8322 1 16 . 1 1 84 84 ILE CA C 84 59.761 59.761 61.218 -1.457 25830 8323 1 16 . 1 1 84 84 ILE CB C 84 33.534 33.534 37.161 -3.627 25830 8324 1 16 . 1 1 84 84 ILE H H 84 9.304 9.304 8.530 0.774 25830 8325 1 16 . 1 1 85 85 SER N N 85 120.246 120.246 120.272 -0.026 25830 8326 1 16 . 1 1 85 85 SER HA H 85 4.563 4.563 4.851 -0.288 25830 8327 1 16 . 1 1 85 85 SER C C 85 171.695 171.695 175.336 -3.641 25830 8328 1 16 . 1 1 85 85 SER CA C 85 53.394 53.394 56.723 -3.329 25830 8329 1 16 . 1 1 85 85 SER CB C 85 61.638 61.638 65.485 -3.847 25830 8330 1 16 . 1 1 85 85 SER H H 85 7.256 7.256 7.786 -0.530 25830 8331 1 16 . 1 1 86 86 THR N N 86 115.458 115.458 116.195 -0.737 25830 8332 1 16 . 1 1 86 86 THR HA H 86 4.147 4.147 4.229 -0.082 25830 8333 1 16 . 1 1 86 86 THR C C 86 172.663 172.663 175.560 -2.897 25830 8334 1 16 . 1 1 86 86 THR CA C 86 61.527 61.527 63.939 -2.412 25830 8335 1 16 . 1 1 86 86 THR CB C 86 65.858 65.858 68.804 -2.946 25830 8336 1 16 . 1 1 86 86 THR H H 86 8.819 8.819 8.545 0.274 25830 8337 1 16 . 1 1 87 87 SER N N 87 114.029 114.029 115.933 -1.904 25830 8338 1 16 . 1 1 87 87 SER HA H 87 4.524 4.524 4.510 0.014 25830 8339 1 16 . 1 1 87 87 SER C C 87 172.010 172.010 174.933 -2.923 25830 8340 1 16 . 1 1 87 87 SER CA C 87 55.408 55.408 59.117 -3.709 25830 8341 1 16 . 1 1 87 87 SER CB C 87 61.144 61.144 64.097 -2.953 25830 8342 1 16 . 1 1 87 87 SER H H 87 8.239 8.239 7.995 0.243 25830 8343 1 16 . 1 1 88 88 THR N N 88 120.831 120.831 120.347 0.484 25830 8344 1 16 . 1 1 88 88 THR HA H 88 3.808 3.808 4.293 -0.485 25830 8345 1 16 . 1 1 88 88 THR C C 88 181.273 181.273 173.822 7.451 25830 8346 1 16 . 1 1 88 88 THR CA C 88 61.409 61.409 63.047 -1.638 25830 8347 1 16 . 1 1 88 88 THR CB C 88 67.556 67.556 69.478 -1.922 25830 8348 1 16 . 1 1 88 88 THR H H 88 7.142 7.142 7.264 -0.122 25830 8349 1 16 . 1 1 89 89 ASN N N 89 124.818 124.818 125.756 -0.938 25830 8350 1 16 . 1 1 89 89 ASN HA H 89 4.819 4.819 4.759 0.060 25830 8351 1 16 . 1 1 89 89 ASN C C 89 173.325 173.325 175.625 -2.300 25830 8352 1 16 . 1 1 89 89 ASN CA C 89 48.483 48.483 52.803 -4.319 25830 8353 1 16 . 1 1 89 89 ASN CB C 89 34.958 34.958 38.642 -3.683 25830 8354 1 16 . 1 1 89 89 ASN H H 89 8.754 8.754 8.801 -0.047 25830 8355 1 16 . 1 1 90 90 CYS N N 90 123.361 123.361 124.011 -0.650 25830 8356 1 16 . 1 1 90 90 CYS HA H 90 4.174 4.174 4.057 0.117 25830 8357 1 16 . 1 1 90 90 CYS C C 90 172.573 172.573 175.792 -3.219 25830 8358 1 16 . 1 1 90 90 CYS CA C 90 54.158 54.158 60.708 -6.550 25830 8359 1 16 . 1 1 90 90 CYS CB C 90 36.687 36.687 26.351 10.336 25830 8360 1 16 . 1 1 90 90 CYS H H 90 8.790 8.790 8.220 0.570 25830 8361 1 16 . 1 1 91 91 ASN N N 91 115.199 115.199 115.130 0.069 25830 8362 1 16 . 1 1 91 91 ASN HA H 91 4.578 4.578 4.497 0.081 25830 8363 1 16 . 1 1 91 91 ASN C C 91 173.584 173.584 176.639 -3.055 25830 8364 1 16 . 1 1 91 91 ASN CA C 91 52.264 52.264 55.050 -2.786 25830 8365 1 16 . 1 1 91 91 ASN CB C 91 35.690 35.690 37.856 -2.166 25830 8366 1 16 . 1 1 91 91 ASN H H 91 8.320 8.320 8.508 -0.188 25830 8367 1 16 . 1 1 92 92 THR N N 92 107.497 107.497 109.485 -1.988 25830 8368 1 16 . 1 1 92 92 THR HA H 92 4.388 4.388 4.234 0.154 25830 8369 1 16 . 1 1 92 92 THR C C 92 171.702 171.702 175.251 -3.549 25830 8370 1 16 . 1 1 92 92 THR CA C 92 58.280 58.280 62.720 -4.440 25830 8371 1 16 . 1 1 92 92 THR CB C 92 66.107 66.107 69.359 -3.252 25830 8372 1 16 . 1 1 92 92 THR H H 92 7.338 7.338 7.825 -0.487 25830 8373 1 16 . 1 1 93 93 VAL N N 93 123.151 123.151 124.342 -1.191 25830 8374 1 16 . 1 1 93 93 VAL HA H 93 3.667 3.667 3.858 -0.191 25830 8375 1 16 . 1 1 93 93 VAL C C 93 172.207 172.207 175.610 -3.403 25830 8376 1 16 . 1 1 93 93 VAL CA C 93 59.846 59.846 63.436 -3.590 25830 8377 1 16 . 1 1 93 93 VAL CB C 93 29.999 29.999 31.319 -1.319 25830 8378 1 16 . 1 1 93 93 VAL H H 93 6.806 6.806 7.397 -0.591 25830 8379 1 16 . 1 1 94 94 ARG N N 94 127.129 127.129 127.805 -0.676 25830 8380 1 16 . 1 1 94 94 ARG HA H 94 4.339 4.339 4.310 0.029 25830 8381 1 16 . 1 1 94 94 ARG C C 94 171.859 171.859 176.194 -4.335 25830 8382 1 16 . 1 1 94 94 ARG CA C 94 52.395 52.395 55.730 -3.335 25830 8383 1 16 . 1 1 94 94 ARG CB C 94 26.973 26.973 29.943 -2.970 25830 8384 1 16 . 1 1 94 94 ARG H H 94 8.201 8.201 8.381 -0.180 25830 8385 1 17 . 1 1 2 2 LEU N N 2 123.438 123.438 122.104 1.334 25830 8386 1 17 . 1 1 2 2 LEU HA H 2 4.344 4.344 4.505 -0.161 25830 8387 1 17 . 1 1 2 2 LEU C C 2 172.388 172.388 176.091 -3.703 25830 8388 1 17 . 1 1 2 2 LEU CA C 2 52.560 52.560 55.244 -2.684 25830 8389 1 17 . 1 1 2 2 LEU CB C 2 40.603 40.603 42.307 -1.704 25830 8390 1 17 . 1 1 2 2 LEU H H 2 8.368 8.368 8.161 0.207 25830 8391 1 17 . 1 1 3 3 SER N N 3 119.868 119.868 119.453 0.415 25830 8392 1 17 . 1 1 3 3 SER HA H 3 4.748 4.748 4.681 0.067 25830 8393 1 17 . 1 1 3 3 SER C C 3 173.163 173.163 175.283 -2.120 25830 8394 1 17 . 1 1 3 3 SER CA C 3 53.523 53.523 57.363 -3.840 25830 8395 1 17 . 1 1 3 3 SER CB C 3 62.412 62.412 65.853 -3.441 25830 8396 1 17 . 1 1 3 3 SER H H 3 8.550 8.550 8.446 0.104 25830 8397 1 17 . 1 1 4 4 CYS N N 4 120.408 120.408 123.642 -3.234 25830 8398 1 17 . 1 1 4 4 CYS HA H 4 4.586 4.586 4.239 0.347 25830 8399 1 17 . 1 1 4 4 CYS C C 4 175.067 175.067 176.764 -1.697 25830 8400 1 17 . 1 1 4 4 CYS CA C 4 52.166 52.166 61.547 -9.381 25830 8401 1 17 . 1 1 4 4 CYS CB C 4 30.372 30.372 27.388 2.984 25830 8402 1 17 . 1 1 4 4 CYS H H 4 9.222 9.222 9.108 0.114 25830 8403 1 17 . 1 1 5 5 GLY N N 5 110.663 110.663 107.751 2.912 25830 8404 1 17 . 1 1 5 5 GLY C C 5 174.023 174.023 175.374 -1.351 25830 8405 1 17 . 1 1 5 5 GLY CA C 5 44.577 44.577 47.358 -2.781 25830 8406 1 17 . 1 1 5 5 GLY H H 5 8.721 8.721 8.571 0.150 25830 8407 1 17 . 1 1 6 6 THR N N 6 118.884 118.884 116.288 2.596 25830 8408 1 17 . 1 1 6 6 THR HA H 6 4.031 4.031 4.404 -0.373 25830 8409 1 17 . 1 1 6 6 THR C C 6 172.782 172.782 176.742 -3.960 25830 8410 1 17 . 1 1 6 6 THR CA C 6 62.801 62.801 64.635 -1.834 25830 8411 1 17 . 1 1 6 6 THR CB C 6 65.896 65.896 69.605 -3.709 25830 8412 1 17 . 1 1 6 6 THR H H 6 7.676 7.676 7.755 -0.079 25830 8413 1 17 . 1 1 7 7 VAL N N 7 120.789 120.789 123.929 -3.140 25830 8414 1 17 . 1 1 7 7 VAL HA H 7 3.607 3.607 3.582 0.025 25830 8415 1 17 . 1 1 7 7 VAL C C 7 174.356 174.356 177.686 -3.330 25830 8416 1 17 . 1 1 7 7 VAL CA C 7 63.774 63.774 66.612 -2.838 25830 8417 1 17 . 1 1 7 7 VAL CB C 7 28.610 28.610 31.421 -2.811 25830 8418 1 17 . 1 1 7 7 VAL H H 7 7.280 7.280 7.441 -0.161 25830 8419 1 17 . 1 1 8 8 SER N N 8 114.047 114.047 115.247 -1.200 25830 8420 1 17 . 1 1 8 8 SER HA H 8 3.858 3.858 4.112 -0.254 25830 8421 1 17 . 1 1 8 8 SER C C 8 173.948 173.948 175.920 -1.972 25830 8422 1 17 . 1 1 8 8 SER CA C 8 59.791 59.791 61.940 -2.148 25830 8423 1 17 . 1 1 8 8 SER CB C 8 59.242 59.242 62.945 -3.703 25830 8424 1 17 . 1 1 8 8 SER H H 8 8.501 8.501 8.155 0.346 25830 8425 1 17 . 1 1 9 9 ALA N N 9 123.669 123.669 123.232 0.437 25830 8426 1 17 . 1 1 9 9 ALA HA H 9 4.165 4.165 4.127 0.038 25830 8427 1 17 . 1 1 9 9 ALA C C 9 177.740 177.740 179.053 -1.313 25830 8428 1 17 . 1 1 9 9 ALA CA C 9 52.218 52.218 54.703 -2.486 25830 8429 1 17 . 1 1 9 9 ALA CB C 9 15.348 15.348 18.413 -3.065 25830 8430 1 17 . 1 1 9 9 ALA H H 9 7.685 7.685 7.503 0.182 25830 8431 1 17 . 1 1 10 10 ASP N N 10 118.653 118.653 117.104 1.549 25830 8432 1 17 . 1 1 10 10 ASP HA H 10 4.414 4.414 4.561 -0.147 25830 8433 1 17 . 1 1 10 10 ASP C C 10 173.327 173.327 177.392 -4.065 25830 8434 1 17 . 1 1 10 10 ASP CA C 10 53.357 53.357 56.354 -2.997 25830 8435 1 17 . 1 1 10 10 ASP CB C 10 35.579 35.579 41.384 -5.805 25830 8436 1 17 . 1 1 10 10 ASP H H 10 8.161 8.161 8.136 0.025 25830 8437 1 17 . 1 1 11 11 LEU N N 11 115.104 115.104 119.971 -4.867 25830 8438 1 17 . 1 1 11 11 LEU HA H 11 4.183 4.183 4.194 -0.011 25830 8439 1 17 . 1 1 11 11 LEU C C 11 175.206 175.206 178.208 -3.002 25830 8440 1 17 . 1 1 11 11 LEU CA C 11 51.360 51.360 56.219 -4.859 25830 8441 1 17 . 1 1 11 11 LEU CB C 11 40.185 40.185 41.737 -1.552 25830 8442 1 17 . 1 1 11 11 LEU H H 11 7.731 7.731 7.445 0.286 25830 8443 1 17 . 1 1 12 12 ALA N N 12 124.133 124.133 123.157 0.976 25830 8444 1 17 . 1 1 12 12 ALA HA H 12 4.309 4.309 4.147 0.162 25830 8445 1 17 . 1 1 12 12 ALA C C 12 174.540 174.540 176.865 -2.325 25830 8446 1 17 . 1 1 12 12 ALA CA C 12 54.075 54.075 56.673 -2.598 25830 8447 1 17 . 1 1 12 12 ALA CB C 12 13.256 13.256 16.385 -3.129 25830 8448 1 17 . 1 1 12 12 ALA H H 12 7.481 7.481 7.845 -0.364 25830 8449 1 17 . 1 1 13 13 PRO HA H 13 4.674 4.674 4.485 0.189 25830 8450 1 17 . 1 1 13 13 PRO C C 13 174.824 174.824 176.755 -1.931 25830 8451 1 17 . 1 1 13 13 PRO CA C 13 61.982 61.982 64.562 -2.580 25830 8452 1 17 . 1 1 13 13 PRO CB C 13 28.804 28.804 31.203 -2.399 25830 8453 1 17 . 1 1 14 14 CYS N N 14 114.225 114.225 117.200 -2.975 25830 8454 1 17 . 1 1 14 14 CYS HA H 14 4.722 4.722 4.681 0.041 25830 8455 1 17 . 1 1 14 14 CYS C C 14 172.376 172.376 176.830 -4.454 25830 8456 1 17 . 1 1 14 14 CYS CA C 14 51.481 51.481 60.305 -8.824 25830 8457 1 17 . 1 1 14 14 CYS CB C 14 39.508 39.508 27.638 11.870 25830 8458 1 17 . 1 1 14 14 CYS H H 14 8.938 8.938 7.584 1.354 25830 8459 1 17 . 1 1 15 15 VAL N N 15 122.488 122.488 122.829 -0.341 25830 8460 1 17 . 1 1 15 15 VAL HA H 15 3.350 3.350 3.538 -0.188 25830 8461 1 17 . 1 1 15 15 VAL C C 15 173.644 173.644 177.943 -4.299 25830 8462 1 17 . 1 1 15 15 VAL CA C 15 66.608 66.608 67.402 -0.794 25830 8463 1 17 . 1 1 15 15 VAL CB C 15 28.692 28.692 30.978 -2.286 25830 8464 1 17 . 1 1 15 15 VAL H H 15 7.767 7.767 8.372 -0.605 25830 8465 1 17 . 1 1 16 16 THR N N 16 112.169 112.169 114.131 -1.962 25830 8466 1 17 . 1 1 16 16 THR HA H 16 4.012 4.012 3.960 0.052 25830 8467 1 17 . 1 1 16 16 THR C C 16 175.021 175.021 176.426 -1.405 25830 8468 1 17 . 1 1 16 16 THR CA C 16 63.879 63.879 66.254 -2.375 25830 8469 1 17 . 1 1 16 16 THR CB C 16 65.364 65.364 68.760 -3.396 25830 8470 1 17 . 1 1 16 16 THR H H 16 8.258 8.258 8.078 0.180 25830 8471 1 17 . 1 1 17 17 TYR N N 17 124.563 124.563 122.216 2.347 25830 8472 1 17 . 1 1 17 17 TYR HA H 17 4.265 4.265 4.308 -0.043 25830 8473 1 17 . 1 1 17 17 TYR C C 17 174.326 174.326 178.187 -3.861 25830 8474 1 17 . 1 1 17 17 TYR CA C 17 58.001 58.001 59.926 -1.925 25830 8475 1 17 . 1 1 17 17 TYR CB C 17 35.252 35.252 38.062 -2.809 25830 8476 1 17 . 1 1 17 17 TYR H H 17 8.280 8.280 8.032 0.248 25830 8477 1 17 . 1 1 18 18 LEU N N 18 119.213 119.213 119.188 0.025 25830 8478 1 17 . 1 1 18 18 LEU HA H 18 3.630 3.630 3.665 -0.035 25830 8479 1 17 . 1 1 18 18 LEU C C 18 172.858 172.858 178.615 -5.757 25830 8480 1 17 . 1 1 18 18 LEU CA C 18 54.171 54.171 57.222 -3.051 25830 8481 1 17 . 1 1 18 18 LEU CB C 18 38.310 38.310 41.494 -3.184 25830 8482 1 17 . 1 1 18 18 LEU H H 18 8.394 8.394 8.464 -0.070 25830 8483 1 17 . 1 1 19 19 GLN N N 19 114.782 114.782 114.229 0.553 25830 8484 1 17 . 1 1 19 19 GLN HA H 19 4.582 4.582 4.277 0.305 25830 8485 1 17 . 1 1 19 19 GLN C C 19 172.754 172.754 175.971 -3.217 25830 8486 1 17 . 1 1 19 19 GLN CA C 19 52.320 52.320 55.909 -3.589 25830 8487 1 17 . 1 1 19 19 GLN CB C 19 27.954 27.954 29.353 -1.399 25830 8488 1 17 . 1 1 19 19 GLN H H 19 7.319 7.319 7.695 -0.376 25830 8489 1 17 . 1 1 20 20 ALA N N 20 126.473 126.473 122.869 3.604 25830 8490 1 17 . 1 1 20 20 ALA HA H 20 4.494 4.494 4.592 -0.098 25830 8491 1 17 . 1 1 20 20 ALA C C 20 171.072 171.072 175.146 -4.074 25830 8492 1 17 . 1 1 20 20 ALA CA C 20 48.862 48.862 49.724 -0.862 25830 8493 1 17 . 1 1 20 20 ALA CB C 20 15.610 15.610 18.863 -3.253 25830 8494 1 17 . 1 1 20 20 ALA H H 20 7.292 7.292 7.255 0.037 25830 8495 1 17 . 1 1 21 21 PRO HA H 21 4.440 4.440 4.489 -0.049 25830 8496 1 17 . 1 1 21 21 PRO C C 21 174.052 174.052 177.088 -3.036 25830 8497 1 17 . 1 1 21 21 PRO CA C 21 59.522 59.522 62.226 -2.704 25830 8498 1 17 . 1 1 21 21 PRO CB C 21 29.853 29.853 32.589 -2.736 25830 8499 1 17 . 1 1 22 22 ASN N N 22 117.448 117.448 117.657 -0.209 25830 8500 1 17 . 1 1 22 22 ASN HA H 22 4.754 4.754 4.561 0.193 25830 8501 1 17 . 1 1 22 22 ASN C C 22 173.299 173.299 176.604 -3.305 25830 8502 1 17 . 1 1 22 22 ASN CA C 22 51.478 51.478 55.612 -4.134 25830 8503 1 17 . 1 1 22 22 ASN CB C 22 35.291 35.291 38.309 -3.018 25830 8504 1 17 . 1 1 22 22 ASN H H 22 8.466 8.466 8.683 -0.217 25830 8505 1 17 . 1 1 23 23 ASN N N 23 113.171 113.171 117.208 -4.037 25830 8506 1 17 . 1 1 23 23 ASN HA H 23 4.555 4.555 4.559 -0.004 25830 8507 1 17 . 1 1 23 23 ASN C C 23 172.210 172.210 175.536 -3.326 25830 8508 1 17 . 1 1 23 23 ASN CA C 23 50.626 50.626 54.269 -3.643 25830 8509 1 17 . 1 1 23 23 ASN CB C 23 34.278 34.278 38.290 -4.012 25830 8510 1 17 . 1 1 23 23 ASN H H 23 8.187 8.187 8.192 -0.005 25830 8511 1 17 . 1 1 24 24 ALA N N 24 122.578 122.578 121.890 0.688 25830 8512 1 17 . 1 1 24 24 ALA HA H 24 4.394 4.394 4.476 -0.083 25830 8513 1 17 . 1 1 24 24 ALA C C 24 173.708 173.708 176.229 -2.521 25830 8514 1 17 . 1 1 24 24 ALA CA C 24 49.696 49.696 52.056 -2.360 25830 8515 1 17 . 1 1 24 24 ALA CB C 24 18.288 18.288 20.676 -2.388 25830 8516 1 17 . 1 1 24 24 ALA H H 24 7.381 7.381 7.598 -0.217 25830 8517 1 17 . 1 1 25 25 SER N N 25 115.237 115.237 114.597 0.640 25830 8518 1 17 . 1 1 25 25 SER HA H 25 4.922 4.922 4.479 0.443 25830 8519 1 17 . 1 1 25 25 SER C C 25 181.107 181.107 171.897 9.210 25830 8520 1 17 . 1 1 25 25 SER CA C 25 53.033 53.033 55.200 -2.167 25830 8521 1 17 . 1 1 25 25 SER CB C 25 61.549 61.549 64.422 -2.873 25830 8522 1 17 . 1 1 25 25 SER H H 25 8.649 8.649 8.110 0.539 25830 8523 1 17 . 1 1 26 26 PRO HA H 26 4.014 4.014 4.157 -0.143 25830 8524 1 17 . 1 1 26 26 PRO CA C 26 57.292 57.292 61.051 -3.759 25830 8525 1 17 . 1 1 26 26 PRO CB C 26 27.450 27.450 30.766 -3.316 25830 8526 1 17 . 1 1 27 27 PRO HA H 27 4.881 4.881 4.612 0.269 25830 8527 1 17 . 1 1 27 27 PRO CA C 27 58.500 58.500 60.970 -2.470 25830 8528 1 17 . 1 1 27 27 PRO CB C 27 28.489 28.489 30.782 -2.292 25830 8529 1 17 . 1 1 28 28 PRO HA H 28 4.421 4.421 4.206 0.215 25830 8530 1 17 . 1 1 28 28 PRO CA C 28 64.505 64.505 66.948 -2.443 25830 8531 1 17 . 1 1 28 28 PRO CB C 28 26.217 26.217 29.310 -3.093 25830 8532 1 17 . 1 1 29 29 PRO HA H 29 4.477 4.477 4.295 0.182 25830 8533 1 17 . 1 1 29 29 PRO C C 29 177.330 177.330 178.914 -1.584 25830 8534 1 17 . 1 1 29 29 PRO CA C 29 62.883 62.883 65.589 -2.706 25830 8535 1 17 . 1 1 29 29 PRO CB C 29 28.301 28.301 30.990 -2.689 25830 8536 1 17 . 1 1 30 30 CYS N N 30 114.694 114.694 117.823 -3.129 25830 8537 1 17 . 1 1 30 30 CYS HA H 30 4.456 4.456 4.312 0.144 25830 8538 1 17 . 1 1 30 30 CYS C C 30 172.260 172.260 177.088 -4.828 25830 8539 1 17 . 1 1 30 30 CYS CA C 30 55.585 55.585 61.269 -5.684 25830 8540 1 17 . 1 1 30 30 CYS CB C 30 34.602 34.602 25.684 8.918 25830 8541 1 17 . 1 1 30 30 CYS H H 30 7.637 7.637 7.723 -0.086 25830 8542 1 17 . 1 1 31 31 CYS N N 31 116.335 116.335 120.496 -4.161 25830 8543 1 17 . 1 1 31 31 CYS HA H 31 4.607 4.607 4.155 0.452 25830 8544 1 17 . 1 1 31 31 CYS C C 31 174.401 174.401 177.263 -2.862 25830 8545 1 17 . 1 1 31 31 CYS CA C 31 51.858 51.858 63.055 -11.197 25830 8546 1 17 . 1 1 31 31 CYS CB C 31 29.979 29.979 25.773 4.206 25830 8547 1 17 . 1 1 31 31 CYS H H 31 7.083 7.083 8.196 -1.113 25830 8548 1 17 . 1 1 32 32 ALA N N 32 121.738 121.738 121.286 0.452 25830 8549 1 17 . 1 1 32 32 ALA HA H 32 4.070 4.070 4.011 0.059 25830 8550 1 17 . 1 1 32 32 ALA C C 32 177.730 177.730 179.365 -1.635 25830 8551 1 17 . 1 1 32 32 ALA CA C 32 52.557 52.557 55.184 -2.627 25830 8552 1 17 . 1 1 32 32 ALA CB C 32 15.204 15.204 18.017 -2.813 25830 8553 1 17 . 1 1 32 32 ALA H H 32 8.481 8.481 8.237 0.244 25830 8554 1 17 . 1 1 33 33 GLY N N 33 108.715 108.715 106.664 2.051 25830 8555 1 17 . 1 1 33 33 GLY C C 33 172.825 172.825 176.178 -3.353 25830 8556 1 17 . 1 1 33 33 GLY CA C 33 44.748 44.748 47.061 -2.313 25830 8557 1 17 . 1 1 33 33 GLY H H 33 7.683 7.683 7.740 -0.057 25830 8558 1 17 . 1 1 34 34 VAL N N 34 121.079 121.079 120.854 0.225 25830 8559 1 17 . 1 1 34 34 VAL HA H 34 3.489 3.489 3.625 -0.136 25830 8560 1 17 . 1 1 34 34 VAL C C 34 174.764 174.764 178.532 -3.768 25830 8561 1 17 . 1 1 34 34 VAL CA C 34 63.930 63.930 65.781 -1.851 25830 8562 1 17 . 1 1 34 34 VAL CB C 34 29.037 29.037 31.673 -2.636 25830 8563 1 17 . 1 1 34 34 VAL H H 34 8.085 8.085 7.584 0.501 25830 8564 1 17 . 1 1 35 35 LYS N N 35 117.845 117.845 119.381 -1.536 25830 8565 1 17 . 1 1 35 35 LYS HA H 35 3.814 3.814 4.090 -0.276 25830 8566 1 17 . 1 1 35 35 LYS C C 35 176.677 176.677 178.992 -2.315 25830 8567 1 17 . 1 1 35 35 LYS CA C 35 57.849 57.849 59.143 -1.294 25830 8568 1 17 . 1 1 35 35 LYS CB C 35 29.635 29.635 31.923 -2.288 25830 8569 1 17 . 1 1 35 35 LYS H H 35 8.089 8.089 7.482 0.607 25830 8570 1 17 . 1 1 36 36 LYS N N 36 120.507 120.507 119.704 0.803 25830 8571 1 17 . 1 1 36 36 LYS HA H 36 3.946 3.946 4.099 -0.153 25830 8572 1 17 . 1 1 36 36 LYS C C 36 176.481 176.481 178.244 -1.763 25830 8573 1 17 . 1 1 36 36 LYS CA C 36 56.889 56.889 58.455 -1.566 25830 8574 1 17 . 1 1 36 36 LYS CB C 36 29.999 29.999 32.126 -2.127 25830 8575 1 17 . 1 1 36 36 LYS H H 36 7.940 7.940 7.898 0.042 25830 8576 1 17 . 1 1 37 37 LEU N N 37 121.929 121.929 120.233 1.696 25830 8577 1 17 . 1 1 37 37 LEU HA H 37 4.012 4.012 3.992 0.020 25830 8578 1 17 . 1 1 37 37 LEU C C 37 175.490 175.490 178.547 -3.057 25830 8579 1 17 . 1 1 37 37 LEU CA C 37 55.567 55.567 57.875 -2.308 25830 8580 1 17 . 1 1 37 37 LEU CB C 37 38.621 38.621 41.468 -2.847 25830 8581 1 17 . 1 1 37 37 LEU H H 37 7.882 7.882 7.431 0.451 25830 8582 1 17 . 1 1 38 38 LEU N N 38 117.061 117.061 118.714 -1.653 25830 8583 1 17 . 1 1 38 38 LEU HA H 38 4.050 4.050 4.033 0.017 25830 8584 1 17 . 1 1 38 38 LEU C C 38 177.275 177.275 178.073 -0.798 25830 8585 1 17 . 1 1 38 38 LEU CA C 38 54.535 54.535 57.718 -3.183 25830 8586 1 17 . 1 1 38 38 LEU CB C 38 38.448 38.448 41.734 -3.286 25830 8587 1 17 . 1 1 38 38 LEU H H 38 7.812 7.812 7.542 0.271 25830 8588 1 17 . 1 1 39 39 ALA N N 39 119.986 119.986 118.714 1.272 25830 8589 1 17 . 1 1 39 39 ALA HA H 39 4.105 4.105 4.320 -0.215 25830 8590 1 17 . 1 1 39 39 ALA C C 39 175.721 175.721 177.938 -2.217 25830 8591 1 17 . 1 1 39 39 ALA CA C 39 50.910 50.910 52.490 -1.580 25830 8592 1 17 . 1 1 39 39 ALA CB C 39 15.545 15.545 18.718 -3.173 25830 8593 1 17 . 1 1 39 39 ALA H H 39 7.914 7.914 7.673 0.241 25830 8594 1 17 . 1 1 40 40 ALA N N 40 118.015 118.015 122.535 -4.520 25830 8595 1 17 . 1 1 40 40 ALA HA H 40 4.266 4.266 4.155 0.111 25830 8596 1 17 . 1 1 40 40 ALA C C 40 174.416 174.416 177.916 -3.500 25830 8597 1 17 . 1 1 40 40 ALA CA C 40 49.886 49.886 53.423 -3.537 25830 8598 1 17 . 1 1 40 40 ALA CB C 40 16.330 16.330 19.007 -2.677 25830 8599 1 17 . 1 1 40 40 ALA H H 40 7.302 7.302 7.691 -0.389 25830 8600 1 17 . 1 1 41 41 ALA N N 41 122.389 122.389 118.175 4.214 25830 8601 1 17 . 1 1 41 41 ALA HA H 41 4.605 4.605 4.215 0.390 25830 8602 1 17 . 1 1 41 41 ALA C C 41 172.709 172.709 176.852 -4.143 25830 8603 1 17 . 1 1 41 41 ALA CA C 41 47.917 47.917 52.204 -4.287 25830 8604 1 17 . 1 1 41 41 ALA CB C 41 15.072 15.072 20.230 -5.158 25830 8605 1 17 . 1 1 41 41 ALA H H 41 7.304 7.304 7.677 -0.373 25830 8606 1 17 . 1 1 42 42 THR N N 42 113.142 113.142 108.038 5.104 25830 8607 1 17 . 1 1 42 42 THR HA H 42 4.422 4.422 4.383 0.039 25830 8608 1 17 . 1 1 42 42 THR C C 42 172.086 172.086 175.092 -3.006 25830 8609 1 17 . 1 1 42 42 THR CA C 42 59.772 59.772 62.086 -2.314 25830 8610 1 17 . 1 1 42 42 THR CB C 42 66.992 66.992 69.835 -2.843 25830 8611 1 17 . 1 1 42 42 THR H H 42 8.663 8.663 8.169 0.494 25830 8612 1 17 . 1 1 43 43 THR N N 43 111.501 111.501 113.041 -1.540 25830 8613 1 17 . 1 1 43 43 THR HA H 43 4.704 4.704 4.522 0.182 25830 8614 1 17 . 1 1 43 43 THR C C 43 172.283 172.283 175.341 -3.058 25830 8615 1 17 . 1 1 43 43 THR CA C 43 56.869 56.869 59.674 -2.805 25830 8616 1 17 . 1 1 43 43 THR CB C 43 69.211 69.211 71.877 -2.666 25830 8617 1 17 . 1 1 43 43 THR H H 43 7.705 7.705 7.527 0.178 25830 8618 1 17 . 1 1 44 44 THR N N 44 119.157 119.157 115.604 3.553 25830 8619 1 17 . 1 1 44 44 THR HA H 44 3.861 3.861 4.209 -0.348 25830 8620 1 17 . 1 1 44 44 THR CA C 44 66.420 66.420 67.202 -0.782 25830 8621 1 17 . 1 1 44 44 THR CB C 44 63.702 63.702 67.563 -3.861 25830 8622 1 17 . 1 1 44 44 THR H H 44 9.305 9.305 8.447 0.858 25830 8623 1 17 . 1 1 45 45 PRO HA H 45 4.345 4.345 4.649 -0.304 25830 8624 1 17 . 1 1 45 45 PRO C C 45 177.238 177.238 178.083 -0.845 25830 8625 1 17 . 1 1 45 45 PRO CA C 45 63.192 63.192 65.275 -2.083 25830 8626 1 17 . 1 1 45 45 PRO CB C 45 28.232 28.232 31.560 -3.328 25830 8627 1 17 . 1 1 46 46 ASP N N 46 117.412 117.412 119.274 -1.862 25830 8628 1 17 . 1 1 46 46 ASP HA H 46 4.571 4.571 4.415 0.156 25830 8629 1 17 . 1 1 46 46 ASP C C 46 175.358 175.358 178.028 -2.670 25830 8630 1 17 . 1 1 46 46 ASP CA C 46 54.436 54.436 56.809 -2.373 25830 8631 1 17 . 1 1 46 46 ASP CB C 46 37.884 37.884 40.386 -2.502 25830 8632 1 17 . 1 1 46 46 ASP H H 46 7.238 7.238 8.169 -0.931 25830 8633 1 17 . 1 1 47 47 ARG N N 47 122.342 122.342 118.079 4.263 25830 8634 1 17 . 1 1 47 47 ARG HA H 47 3.754 3.754 4.099 -0.345 25830 8635 1 17 . 1 1 47 47 ARG C C 47 176.688 176.688 178.941 -2.253 25830 8636 1 17 . 1 1 47 47 ARG CA C 47 57.351 57.351 58.889 -1.538 25830 8637 1 17 . 1 1 47 47 ARG CB C 47 26.606 26.606 30.050 -3.444 25830 8638 1 17 . 1 1 47 47 ARG H H 47 8.383 8.383 7.558 0.825 25830 8639 1 17 . 1 1 48 48 GLN N N 48 120.813 120.813 118.628 2.185 25830 8640 1 17 . 1 1 48 48 GLN HA H 48 3.650 3.650 4.008 -0.358 25830 8641 1 17 . 1 1 48 48 GLN C C 48 175.354 175.354 177.596 -2.242 25830 8642 1 17 . 1 1 48 48 GLN CA C 48 56.742 56.742 58.574 -1.832 25830 8643 1 17 . 1 1 48 48 GLN CB C 48 25.406 25.406 28.435 -3.029 25830 8644 1 17 . 1 1 48 48 GLN H H 48 8.176 8.176 7.724 0.452 25830 8645 1 17 . 1 1 49 49 ALA N N 49 122.476 122.476 121.470 1.006 25830 8646 1 17 . 1 1 49 49 ALA HA H 49 4.224 4.224 3.988 0.236 25830 8647 1 17 . 1 1 49 49 ALA C C 49 177.581 177.581 179.029 -1.448 25830 8648 1 17 . 1 1 49 49 ALA CA C 49 52.410 52.410 54.697 -2.287 25830 8649 1 17 . 1 1 49 49 ALA CB C 49 15.305 15.305 18.004 -2.699 25830 8650 1 17 . 1 1 49 49 ALA H H 49 8.079 8.079 7.462 0.617 25830 8651 1 17 . 1 1 50 50 ALA N N 50 121.104 121.104 120.244 0.860 25830 8652 1 17 . 1 1 50 50 ALA HA H 50 3.686 3.686 3.965 -0.279 25830 8653 1 17 . 1 1 50 50 ALA C C 50 175.478 175.478 178.659 -3.181 25830 8654 1 17 . 1 1 50 50 ALA CA C 50 53.344 53.344 55.181 -1.837 25830 8655 1 17 . 1 1 50 50 ALA CB C 50 14.032 14.032 17.958 -3.926 25830 8656 1 17 . 1 1 50 50 ALA H H 50 8.494 8.494 7.628 0.866 25830 8657 1 17 . 1 1 51 51 CYS N N 51 117.063 117.063 116.500 0.563 25830 8658 1 17 . 1 1 51 51 CYS HA H 51 4.091 4.091 4.144 -0.053 25830 8659 1 17 . 1 1 51 51 CYS C C 51 173.692 173.692 176.549 -2.857 25830 8660 1 17 . 1 1 51 51 CYS CA C 51 57.660 57.660 61.299 -3.639 25830 8661 1 17 . 1 1 51 51 CYS CB C 51 34.278 34.278 25.682 8.596 25830 8662 1 17 . 1 1 51 51 CYS H H 51 7.466 7.466 7.974 -0.508 25830 8663 1 17 . 1 1 52 52 ASN N N 52 120.867 120.867 118.171 2.696 25830 8664 1 17 . 1 1 52 52 ASN HA H 52 4.403 4.403 4.620 -0.217 25830 8665 1 17 . 1 1 52 52 ASN C C 52 176.290 176.290 177.363 -1.073 25830 8666 1 17 . 1 1 52 52 ASN CA C 52 54.177 54.177 55.990 -1.813 25830 8667 1 17 . 1 1 52 52 ASN CB C 52 36.302 36.302 37.959 -1.657 25830 8668 1 17 . 1 1 52 52 ASN H H 52 8.164 8.164 7.417 0.747 25830 8669 1 17 . 1 1 53 53 CYS N N 53 119.542 119.542 119.942 -0.400 25830 8670 1 17 . 1 1 53 53 CYS HA H 53 4.543 4.543 4.225 0.318 25830 8671 1 17 . 1 1 53 53 CYS C C 53 175.294 175.294 177.037 -1.743 25830 8672 1 17 . 1 1 53 53 CYS CA C 53 53.637 53.637 62.347 -8.710 25830 8673 1 17 . 1 1 53 53 CYS CB C 53 34.302 34.302 26.011 8.291 25830 8674 1 17 . 1 1 53 53 CYS H H 53 8.974 8.974 8.116 0.858 25830 8675 1 17 . 1 1 54 54 LEU N N 54 124.510 124.510 118.807 5.703 25830 8676 1 17 . 1 1 54 54 LEU HA H 54 3.964 3.964 3.998 -0.034 25830 8677 1 17 . 1 1 54 54 LEU C C 54 175.082 175.082 179.228 -4.146 25830 8678 1 17 . 1 1 54 54 LEU CA C 54 55.725 55.725 58.095 -2.370 25830 8679 1 17 . 1 1 54 54 LEU CB C 54 39.035 39.035 40.680 -1.645 25830 8680 1 17 . 1 1 54 54 LEU H H 54 8.794 8.794 7.950 0.844 25830 8681 1 17 . 1 1 55 55 LYS N N 55 120.615 120.615 119.542 1.073 25830 8682 1 17 . 1 1 55 55 LYS HA H 55 3.929 3.929 4.111 -0.182 25830 8683 1 17 . 1 1 55 55 LYS C C 55 176.860 176.860 178.923 -2.063 25830 8684 1 17 . 1 1 55 55 LYS CA C 55 57.089 57.089 58.940 -1.851 25830 8685 1 17 . 1 1 55 55 LYS CB C 55 30.420 30.420 31.860 -1.440 25830 8686 1 17 . 1 1 55 55 LYS H H 55 8.119 8.119 7.473 0.646 25830 8687 1 17 . 1 1 56 56 SER N N 56 113.653 113.653 115.688 -2.035 25830 8688 1 17 . 1 1 56 56 SER HA H 56 4.202 4.202 4.282 -0.080 25830 8689 1 17 . 1 1 56 56 SER C C 56 175.009 175.009 177.027 -2.018 25830 8690 1 17 . 1 1 56 56 SER CA C 56 58.397 58.397 61.212 -2.815 25830 8691 1 17 . 1 1 56 56 SER CB C 56 60.063 60.063 62.778 -2.715 25830 8692 1 17 . 1 1 56 56 SER H H 56 7.746 7.746 7.485 0.261 25830 8693 1 17 . 1 1 57 57 ALA N N 57 125.184 125.184 123.616 1.568 25830 8694 1 17 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.059 0.014 25830 8695 1 17 . 1 1 57 57 ALA C C 57 177.735 177.735 179.316 -1.581 25830 8696 1 17 . 1 1 57 57 ALA CA C 57 52.222 52.222 54.611 -2.389 25830 8697 1 17 . 1 1 57 57 ALA CB C 57 14.710 14.710 18.150 -3.440 25830 8698 1 17 . 1 1 57 57 ALA H H 57 8.370 8.370 8.471 -0.101 25830 8699 1 17 . 1 1 58 58 ALA N N 58 119.288 119.288 120.854 -1.566 25830 8700 1 17 . 1 1 58 58 ALA HA H 58 3.873 3.873 4.194 -0.321 25830 8701 1 17 . 1 1 58 58 ALA C C 58 176.201 176.201 179.611 -3.410 25830 8702 1 17 . 1 1 58 58 ALA CA C 58 52.154 52.154 54.406 -2.252 25830 8703 1 17 . 1 1 58 58 ALA CB C 58 13.944 13.944 18.543 -4.599 25830 8704 1 17 . 1 1 58 58 ALA H H 58 8.355 8.355 7.645 0.710 25830 8705 1 17 . 1 1 59 59 GLY N N 59 101.896 101.896 105.041 -3.145 25830 8706 1 17 . 1 1 59 59 GLY C C 59 171.619 171.619 174.916 -3.297 25830 8707 1 17 . 1 1 59 59 GLY CA C 59 43.245 43.245 46.224 -2.979 25830 8708 1 17 . 1 1 59 59 GLY H H 59 7.613 7.613 7.948 -0.335 25830 8709 1 17 . 1 1 60 60 SER N N 60 114.297 114.297 115.321 -1.024 25830 8710 1 17 . 1 1 60 60 SER HA H 60 4.548 4.548 4.576 -0.028 25830 8711 1 17 . 1 1 60 60 SER C C 60 171.232 171.232 173.783 -2.551 25830 8712 1 17 . 1 1 60 60 SER CA C 60 55.817 55.817 57.328 -1.511 25830 8713 1 17 . 1 1 60 60 SER CB C 60 61.793 61.793 64.179 -2.386 25830 8714 1 17 . 1 1 60 60 SER H H 60 7.570 7.570 7.491 0.079 25830 8715 1 17 . 1 1 61 61 ILE N N 61 125.096 125.096 125.998 -0.902 25830 8716 1 17 . 1 1 61 61 ILE HA H 61 4.272 4.272 4.450 -0.178 25830 8717 1 17 . 1 1 61 61 ILE C C 61 170.966 170.966 174.266 -3.300 25830 8718 1 17 . 1 1 61 61 ILE CA C 61 56.364 56.364 58.342 -1.978 25830 8719 1 17 . 1 1 61 61 ILE CB C 61 36.307 36.307 39.050 -2.743 25830 8720 1 17 . 1 1 61 61 ILE H H 61 7.222 7.222 7.324 -0.102 25830 8721 1 17 . 1 1 62 62 PRO HA H 62 4.317 4.317 4.369 -0.052 25830 8722 1 17 . 1 1 62 62 PRO C C 62 173.935 173.935 176.225 -2.290 25830 8723 1 17 . 1 1 62 62 PRO CA C 62 60.634 60.634 63.124 -2.490 25830 8724 1 17 . 1 1 62 62 PRO CB C 62 29.399 29.399 31.744 -2.345 25830 8725 1 17 . 1 1 63 63 LYS N N 63 115.837 115.837 116.901 -1.064 25830 8726 1 17 . 1 1 63 63 LYS HA H 63 3.916 3.916 3.798 0.118 25830 8727 1 17 . 1 1 63 63 LYS C C 63 172.800 172.800 176.151 -3.351 25830 8728 1 17 . 1 1 63 63 LYS CA C 63 53.303 53.303 56.820 -3.517 25830 8729 1 17 . 1 1 63 63 LYS CB C 63 26.973 26.973 30.394 -3.421 25830 8730 1 17 . 1 1 63 63 LYS H H 63 8.584 8.584 8.452 0.132 25830 8731 1 17 . 1 1 64 64 LEU N N 64 118.672 118.672 120.278 -1.606 25830 8732 1 17 . 1 1 64 64 LEU HA H 64 3.625 3.625 4.049 -0.424 25830 8733 1 17 . 1 1 64 64 LEU C C 64 173.690 173.690 176.206 -2.516 25830 8734 1 17 . 1 1 64 64 LEU CA C 64 53.929 53.929 55.723 -1.794 25830 8735 1 17 . 1 1 64 64 LEU CB C 64 39.878 39.878 42.237 -2.359 25830 8736 1 17 . 1 1 64 64 LEU H H 64 7.116 7.116 7.501 -0.385 25830 8737 1 17 . 1 1 65 65 ASN N N 65 125.562 125.562 125.684 -0.122 25830 8738 1 17 . 1 1 65 65 ASN HA H 65 4.879 4.879 4.921 -0.042 25830 8739 1 17 . 1 1 65 65 ASN C C 65 174.338 174.338 176.097 -1.759 25830 8740 1 17 . 1 1 65 65 ASN CA C 65 48.862 48.862 51.602 -2.740 25830 8741 1 17 . 1 1 65 65 ASN CB C 65 34.238 34.238 38.127 -3.889 25830 8742 1 17 . 1 1 65 65 ASN H H 65 9.348 9.348 8.323 1.025 25830 8743 1 17 . 1 1 66 66 THR N N 66 118.448 118.448 116.889 1.559 25830 8744 1 17 . 1 1 66 66 THR HA H 66 3.840 3.840 3.855 -0.015 25830 8745 1 17 . 1 1 66 66 THR C C 66 174.820 174.820 175.889 -1.069 25830 8746 1 17 . 1 1 66 66 THR CA C 66 62.576 62.576 65.426 -2.850 25830 8747 1 17 . 1 1 66 66 THR CB C 66 65.348 65.348 68.733 -3.385 25830 8748 1 17 . 1 1 66 66 THR H H 66 8.735 8.735 7.945 0.790 25830 8749 1 17 . 1 1 67 67 ASN N N 67 121.545 121.545 119.305 2.240 25830 8750 1 17 . 1 1 67 67 ASN HA H 67 4.460 4.460 4.454 0.006 25830 8751 1 17 . 1 1 67 67 ASN C C 67 174.825 174.825 178.031 -3.206 25830 8752 1 17 . 1 1 67 67 ASN CA C 67 53.781 53.781 55.898 -2.118 25830 8753 1 17 . 1 1 67 67 ASN CB C 67 35.495 35.495 38.568 -3.073 25830 8754 1 17 . 1 1 67 67 ASN H H 67 8.229 8.229 8.267 -0.038 25830 8755 1 17 . 1 1 68 68 ASN N N 68 122.399 122.399 118.453 3.946 25830 8756 1 17 . 1 1 68 68 ASN HA H 68 4.463 4.463 4.418 0.045 25830 8757 1 17 . 1 1 68 68 ASN C C 68 175.357 175.357 176.149 -0.792 25830 8758 1 17 . 1 1 68 68 ASN CA C 68 52.009 52.009 55.476 -3.467 25830 8759 1 17 . 1 1 68 68 ASN CB C 68 32.853 32.853 37.935 -5.082 25830 8760 1 17 . 1 1 68 68 ASN H H 68 7.153 7.153 8.000 -0.847 25830 8761 1 17 . 1 1 69 69 ALA N N 69 123.588 123.588 120.472 3.116 25830 8762 1 17 . 1 1 69 69 ALA HA H 69 3.930 3.930 3.971 -0.041 25830 8763 1 17 . 1 1 69 69 ALA C C 69 175.919 175.919 178.324 -2.405 25830 8764 1 17 . 1 1 69 69 ALA CA C 69 53.087 53.087 54.224 -1.137 25830 8765 1 17 . 1 1 69 69 ALA CB C 69 14.867 14.867 18.386 -3.519 25830 8766 1 17 . 1 1 69 69 ALA H H 69 7.942 7.942 7.315 0.627 25830 8767 1 17 . 1 1 70 70 ALA N N 70 117.736 117.736 119.685 -1.949 25830 8768 1 17 . 1 1 70 70 ALA HA H 70 4.250 4.250 4.242 0.008 25830 8769 1 17 . 1 1 70 70 ALA C C 70 176.704 176.704 178.854 -2.150 25830 8770 1 17 . 1 1 70 70 ALA CA C 70 51.706 51.706 54.378 -2.672 25830 8771 1 17 . 1 1 70 70 ALA CB C 70 15.507 15.507 19.036 -3.529 25830 8772 1 17 . 1 1 70 70 ALA H H 70 7.574 7.574 7.435 0.139 25830 8773 1 17 . 1 1 71 71 ALA N N 71 117.858 117.858 120.897 -3.039 25830 8774 1 17 . 1 1 71 71 ALA HA H 71 4.321 4.321 4.398 -0.077 25830 8775 1 17 . 1 1 71 71 ALA C C 71 175.190 175.190 179.274 -4.084 25830 8776 1 17 . 1 1 71 71 ALA CA C 71 50.142 50.142 53.824 -3.682 25830 8777 1 17 . 1 1 71 71 ALA CB C 71 16.908 16.908 18.353 -1.445 25830 8778 1 17 . 1 1 71 71 ALA H H 71 7.676 7.676 7.343 0.333 25830 8779 1 17 . 1 1 72 72 LEU N N 72 117.566 117.566 121.895 -4.329 25830 8780 1 17 . 1 1 72 72 LEU HA H 72 4.097 4.097 4.379 -0.282 25830 8781 1 17 . 1 1 72 72 LEU C C 72 170.406 170.406 175.552 -5.146 25830 8782 1 17 . 1 1 72 72 LEU CA C 72 57.688 57.688 59.610 -1.922 25830 8783 1 17 . 1 1 72 72 LEU CB C 72 36.632 36.632 39.513 -2.881 25830 8784 1 17 . 1 1 72 72 LEU H H 72 7.494 7.494 7.785 -0.291 25830 8785 1 17 . 1 1 73 73 PRO HA H 73 3.793 3.793 4.350 -0.557 25830 8786 1 17 . 1 1 73 73 PRO C C 73 176.416 176.416 179.129 -2.713 25830 8787 1 17 . 1 1 73 73 PRO CA C 73 64.431 64.431 65.426 -0.995 25830 8788 1 17 . 1 1 73 73 PRO CB C 73 27.928 27.928 30.978 -3.050 25830 8789 1 17 . 1 1 74 74 GLY N N 74 106.170 106.170 107.649 -1.479 25830 8790 1 17 . 1 1 74 74 GLY C C 74 176.081 176.081 177.111 -1.030 25830 8791 1 17 . 1 1 74 74 GLY CA C 74 44.577 44.577 46.955 -2.378 25830 8792 1 17 . 1 1 74 74 GLY H H 74 8.374 8.374 7.876 0.498 25830 8793 1 17 . 1 1 75 75 LYS N N 75 121.379 121.379 120.700 0.679 25830 8794 1 17 . 1 1 75 75 LYS HA H 75 4.162 4.162 4.083 0.079 25830 8795 1 17 . 1 1 75 75 LYS C C 75 175.735 175.735 177.534 -1.799 25830 8796 1 17 . 1 1 75 75 LYS CA C 75 56.053 56.053 58.996 -2.943 25830 8797 1 17 . 1 1 75 75 LYS CB C 75 30.087 30.087 32.391 -2.304 25830 8798 1 17 . 1 1 75 75 LYS H H 75 8.417 8.417 8.452 -0.035 25830 8799 1 17 . 1 1 76 76 CYS N N 76 115.021 115.021 115.462 -0.441 25830 8800 1 17 . 1 1 76 76 CYS HA H 76 4.895 4.895 4.608 0.287 25830 8801 1 17 . 1 1 76 76 CYS C C 76 172.300 172.300 175.625 -3.325 25830 8802 1 17 . 1 1 76 76 CYS CA C 76 49.730 49.730 59.213 -9.483 25830 8803 1 17 . 1 1 76 76 CYS CB C 76 32.817 32.817 27.449 5.368 25830 8804 1 17 . 1 1 76 76 CYS H H 76 7.756 7.756 7.969 -0.213 25830 8805 1 17 . 1 1 77 77 GLY N N 77 109.352 109.352 107.514 1.838 25830 8806 1 17 . 1 1 77 77 GLY C C 77 171.753 171.753 174.244 -2.491 25830 8807 1 17 . 1 1 77 77 GLY CA C 77 43.794 43.794 45.232 -1.438 25830 8808 1 17 . 1 1 77 77 GLY H H 77 7.894 7.894 8.093 -0.199 25830 8809 1 17 . 1 1 78 78 VAL N N 78 115.528 115.528 116.738 -1.210 25830 8810 1 17 . 1 1 78 78 VAL HA H 78 4.491 4.491 4.434 0.057 25830 8811 1 17 . 1 1 78 78 VAL C C 78 171.256 171.256 174.661 -3.405 25830 8812 1 17 . 1 1 78 78 VAL CA C 78 56.800 56.800 60.938 -4.138 25830 8813 1 17 . 1 1 78 78 VAL CB C 78 31.741 31.741 32.759 -1.018 25830 8814 1 17 . 1 1 78 78 VAL H H 78 8.137 8.137 7.464 0.673 25830 8815 1 17 . 1 1 79 79 SER N N 79 116.418 116.418 120.664 -4.246 25830 8816 1 17 . 1 1 79 79 SER HA H 79 4.583 4.583 4.644 -0.061 25830 8817 1 17 . 1 1 79 79 SER C C 79 170.681 170.681 174.256 -3.575 25830 8818 1 17 . 1 1 79 79 SER CA C 79 54.258 54.258 57.233 -2.975 25830 8819 1 17 . 1 1 79 79 SER CB C 79 61.468 61.468 63.700 -2.232 25830 8820 1 17 . 1 1 79 79 SER H H 79 8.124 8.124 8.273 -0.149 25830 8821 1 17 . 1 1 80 80 ILE N N 80 120.257 120.257 124.410 -4.153 25830 8822 1 17 . 1 1 80 80 ILE HA H 80 4.639 4.639 4.643 -0.004 25830 8823 1 17 . 1 1 80 80 ILE C C 80 172.830 172.830 174.106 -1.276 25830 8824 1 17 . 1 1 80 80 ILE CA C 80 55.333 55.333 57.845 -2.512 25830 8825 1 17 . 1 1 80 80 ILE CB C 80 38.093 38.093 37.480 0.613 25830 8826 1 17 . 1 1 80 80 ILE H H 80 8.089 8.089 8.337 -0.248 25830 8827 1 17 . 1 1 81 81 PRO HA H 81 4.547 4.547 4.356 0.191 25830 8828 1 17 . 1 1 81 81 PRO C C 81 171.325 171.325 175.999 -4.674 25830 8829 1 17 . 1 1 81 81 PRO CA C 81 60.903 60.903 64.077 -3.174 25830 8830 1 17 . 1 1 81 81 PRO CB C 81 27.693 27.693 32.388 -4.695 25830 8831 1 17 . 1 1 82 82 TYR N N 82 115.259 115.259 116.670 -1.411 25830 8832 1 17 . 1 1 82 82 TYR HA H 82 4.732 4.732 4.789 -0.057 25830 8833 1 17 . 1 1 82 82 TYR C C 82 170.187 170.187 174.047 -3.860 25830 8834 1 17 . 1 1 82 82 TYR CA C 82 51.930 51.930 55.350 -3.420 25830 8835 1 17 . 1 1 82 82 TYR CB C 82 37.275 37.275 40.004 -2.729 25830 8836 1 17 . 1 1 82 82 TYR H H 82 6.642 6.642 7.089 -0.447 25830 8837 1 17 . 1 1 83 83 LYS N N 83 116.992 116.992 119.297 -2.305 25830 8838 1 17 . 1 1 83 83 LYS HA H 83 4.464 4.464 4.525 -0.061 25830 8839 1 17 . 1 1 83 83 LYS C C 83 174.342 174.342 175.212 -0.870 25830 8840 1 17 . 1 1 83 83 LYS CA C 83 51.653 51.653 54.900 -3.247 25830 8841 1 17 . 1 1 83 83 LYS CB C 83 31.513 31.513 35.060 -3.547 25830 8842 1 17 . 1 1 83 83 LYS H H 83 8.301 8.301 8.298 0.003 25830 8843 1 17 . 1 1 84 84 ILE N N 84 126.906 126.906 120.153 6.753 25830 8844 1 17 . 1 1 84 84 ILE HA H 84 3.913 3.913 4.437 -0.524 25830 8845 1 17 . 1 1 84 84 ILE C C 84 170.945 170.945 174.489 -3.544 25830 8846 1 17 . 1 1 84 84 ILE CA C 84 59.761 59.761 60.951 -1.190 25830 8847 1 17 . 1 1 84 84 ILE CB C 84 33.534 33.534 37.078 -3.544 25830 8848 1 17 . 1 1 84 84 ILE H H 84 9.304 9.304 8.509 0.795 25830 8849 1 17 . 1 1 85 85 SER N N 85 120.246 120.246 117.752 2.494 25830 8850 1 17 . 1 1 85 85 SER HA H 85 4.563 4.563 4.770 -0.207 25830 8851 1 17 . 1 1 85 85 SER C C 85 171.695 171.695 175.278 -3.583 25830 8852 1 17 . 1 1 85 85 SER CA C 85 53.394 53.394 57.226 -3.832 25830 8853 1 17 . 1 1 85 85 SER CB C 85 61.638 61.638 65.961 -4.323 25830 8854 1 17 . 1 1 85 85 SER H H 85 7.256 7.256 8.222 -0.966 25830 8855 1 17 . 1 1 86 86 THR N N 86 115.458 115.458 116.606 -1.148 25830 8856 1 17 . 1 1 86 86 THR HA H 86 4.147 4.147 4.238 -0.091 25830 8857 1 17 . 1 1 86 86 THR C C 86 172.663 172.663 175.165 -2.502 25830 8858 1 17 . 1 1 86 86 THR CA C 86 61.527 61.527 64.131 -2.604 25830 8859 1 17 . 1 1 86 86 THR CB C 86 65.858 65.858 68.768 -2.910 25830 8860 1 17 . 1 1 86 86 THR H H 86 8.819 8.819 8.636 0.183 25830 8861 1 17 . 1 1 87 87 SER N N 87 114.029 114.029 115.884 -1.855 25830 8862 1 17 . 1 1 87 87 SER HA H 87 4.524 4.524 4.468 0.056 25830 8863 1 17 . 1 1 87 87 SER C C 87 172.010 172.010 174.973 -2.963 25830 8864 1 17 . 1 1 87 87 SER CA C 87 55.408 55.408 58.479 -3.071 25830 8865 1 17 . 1 1 87 87 SER CB C 87 61.144 61.144 63.996 -2.852 25830 8866 1 17 . 1 1 87 87 SER H H 87 8.239 8.239 7.926 0.313 25830 8867 1 17 . 1 1 88 88 THR N N 88 120.831 120.831 120.108 0.723 25830 8868 1 17 . 1 1 88 88 THR HA H 88 3.808 3.808 4.296 -0.488 25830 8869 1 17 . 1 1 88 88 THR C C 88 181.273 181.273 174.326 6.947 25830 8870 1 17 . 1 1 88 88 THR CA C 88 61.409 61.409 63.720 -2.311 25830 8871 1 17 . 1 1 88 88 THR CB C 88 67.556 67.556 69.569 -2.013 25830 8872 1 17 . 1 1 88 88 THR H H 88 7.142 7.142 7.320 -0.178 25830 8873 1 17 . 1 1 89 89 ASN N N 89 124.818 124.818 124.999 -0.181 25830 8874 1 17 . 1 1 89 89 ASN HA H 89 4.819 4.819 4.754 0.065 25830 8875 1 17 . 1 1 89 89 ASN C C 89 173.325 173.325 175.976 -2.651 25830 8876 1 17 . 1 1 89 89 ASN CA C 89 48.483 48.483 52.024 -3.541 25830 8877 1 17 . 1 1 89 89 ASN CB C 89 34.958 34.958 37.714 -2.756 25830 8878 1 17 . 1 1 89 89 ASN H H 89 8.754 8.754 8.675 0.079 25830 8879 1 17 . 1 1 90 90 CYS N N 90 123.361 123.361 123.731 -0.370 25830 8880 1 17 . 1 1 90 90 CYS HA H 90 4.174 4.174 4.069 0.105 25830 8881 1 17 . 1 1 90 90 CYS C C 90 172.573 172.573 176.381 -3.808 25830 8882 1 17 . 1 1 90 90 CYS CA C 90 54.158 54.158 60.661 -6.503 25830 8883 1 17 . 1 1 90 90 CYS CB C 90 36.687 36.687 26.457 10.230 25830 8884 1 17 . 1 1 90 90 CYS H H 90 8.790 8.790 8.330 0.460 25830 8885 1 17 . 1 1 91 91 ASN N N 91 115.199 115.199 117.419 -2.220 25830 8886 1 17 . 1 1 91 91 ASN HA H 91 4.578 4.578 4.494 0.084 25830 8887 1 17 . 1 1 91 91 ASN C C 91 173.584 173.584 176.076 -2.492 25830 8888 1 17 . 1 1 91 91 ASN CA C 91 52.264 52.264 55.375 -3.111 25830 8889 1 17 . 1 1 91 91 ASN CB C 91 35.690 35.690 38.619 -2.929 25830 8890 1 17 . 1 1 91 91 ASN H H 91 8.320 8.320 8.119 0.201 25830 8891 1 17 . 1 1 92 92 THR N N 92 107.497 107.497 110.830 -3.333 25830 8892 1 17 . 1 1 92 92 THR HA H 92 4.388 4.388 4.372 0.016 25830 8893 1 17 . 1 1 92 92 THR C C 92 171.702 171.702 174.837 -3.135 25830 8894 1 17 . 1 1 92 92 THR CA C 92 58.280 58.280 61.750 -3.470 25830 8895 1 17 . 1 1 92 92 THR CB C 92 66.107 66.107 69.133 -3.026 25830 8896 1 17 . 1 1 92 92 THR H H 92 7.338 7.338 7.650 -0.312 25830 8897 1 17 . 1 1 93 93 VAL N N 93 123.151 123.151 121.626 1.525 25830 8898 1 17 . 1 1 93 93 VAL HA H 93 3.667 3.667 4.074 -0.407 25830 8899 1 17 . 1 1 93 93 VAL C C 93 172.207 172.207 175.974 -3.767 25830 8900 1 17 . 1 1 93 93 VAL CA C 93 59.846 59.846 61.702 -1.856 25830 8901 1 17 . 1 1 93 93 VAL CB C 93 29.999 29.999 32.887 -2.888 25830 8902 1 17 . 1 1 93 93 VAL H H 93 6.806 6.806 7.206 -0.400 25830 8903 1 17 . 1 1 94 94 ARG N N 94 127.129 127.129 125.182 1.947 25830 8904 1 17 . 1 1 94 94 ARG HA H 94 4.339 4.339 4.008 0.331 25830 8905 1 17 . 1 1 94 94 ARG C C 94 171.859 171.859 175.957 -4.098 25830 8906 1 17 . 1 1 94 94 ARG CA C 94 52.395 52.395 55.500 -3.105 25830 8907 1 17 . 1 1 94 94 ARG CB C 94 26.973 26.973 30.845 -3.872 25830 8908 1 17 . 1 1 94 94 ARG H H 94 8.201 8.201 8.338 -0.137 25830 8909 1 18 . 1 1 2 2 LEU N N 2 123.438 123.438 120.335 3.103 25830 8910 1 18 . 1 1 2 2 LEU HA H 2 4.344 4.344 4.644 -0.300 25830 8911 1 18 . 1 1 2 2 LEU C C 2 172.388 172.388 175.131 -2.743 25830 8912 1 18 . 1 1 2 2 LEU CA C 2 52.560 52.560 54.935 -2.376 25830 8913 1 18 . 1 1 2 2 LEU CB C 2 40.603 40.603 45.168 -4.565 25830 8914 1 18 . 1 1 2 2 LEU H H 2 8.368 8.368 8.142 0.226 25830 8915 1 18 . 1 1 3 3 SER N N 3 119.868 119.868 117.317 2.551 25830 8916 1 18 . 1 1 3 3 SER HA H 3 4.748 4.748 4.793 -0.045 25830 8917 1 18 . 1 1 3 3 SER C C 3 173.163 173.163 175.404 -2.241 25830 8918 1 18 . 1 1 3 3 SER CA C 3 53.523 53.523 57.305 -3.782 25830 8919 1 18 . 1 1 3 3 SER CB C 3 62.412 62.412 65.432 -3.020 25830 8920 1 18 . 1 1 3 3 SER H H 3 8.550 8.550 8.455 0.095 25830 8921 1 18 . 1 1 4 4 CYS N N 4 120.408 120.408 124.271 -3.863 25830 8922 1 18 . 1 1 4 4 CYS HA H 4 4.586 4.586 4.256 0.330 25830 8923 1 18 . 1 1 4 4 CYS C C 4 175.067 175.067 176.684 -1.617 25830 8924 1 18 . 1 1 4 4 CYS CA C 4 52.166 52.166 61.402 -9.236 25830 8925 1 18 . 1 1 4 4 CYS CB C 4 30.372 30.372 27.568 2.804 25830 8926 1 18 . 1 1 4 4 CYS H H 4 9.222 9.222 9.056 0.166 25830 8927 1 18 . 1 1 5 5 GLY N N 5 110.663 110.663 107.724 2.939 25830 8928 1 18 . 1 1 5 5 GLY C C 5 174.023 174.023 175.440 -1.417 25830 8929 1 18 . 1 1 5 5 GLY CA C 5 44.577 44.577 47.540 -2.963 25830 8930 1 18 . 1 1 5 5 GLY H H 5 8.721 8.721 8.563 0.158 25830 8931 1 18 . 1 1 6 6 THR N N 6 118.884 118.884 116.092 2.792 25830 8932 1 18 . 1 1 6 6 THR HA H 6 4.031 4.031 4.293 -0.262 25830 8933 1 18 . 1 1 6 6 THR C C 6 172.782 172.782 176.517 -3.735 25830 8934 1 18 . 1 1 6 6 THR CA C 6 62.801 62.801 65.444 -2.643 25830 8935 1 18 . 1 1 6 6 THR CB C 6 65.896 65.896 69.272 -3.377 25830 8936 1 18 . 1 1 6 6 THR H H 6 7.676 7.676 7.689 -0.013 25830 8937 1 18 . 1 1 7 7 VAL N N 7 120.789 120.789 123.069 -2.280 25830 8938 1 18 . 1 1 7 7 VAL HA H 7 3.607 3.607 3.677 -0.070 25830 8939 1 18 . 1 1 7 7 VAL C C 7 174.356 174.356 177.665 -3.309 25830 8940 1 18 . 1 1 7 7 VAL CA C 7 63.774 63.774 65.157 -1.383 25830 8941 1 18 . 1 1 7 7 VAL CB C 7 28.610 28.610 30.498 -1.888 25830 8942 1 18 . 1 1 7 7 VAL H H 7 7.280 7.280 7.466 -0.186 25830 8943 1 18 . 1 1 8 8 SER N N 8 114.047 114.047 115.324 -1.277 25830 8944 1 18 . 1 1 8 8 SER HA H 8 3.858 3.858 4.070 -0.212 25830 8945 1 18 . 1 1 8 8 SER C C 8 173.948 173.948 175.858 -1.910 25830 8946 1 18 . 1 1 8 8 SER CA C 8 59.791 59.791 61.277 -1.486 25830 8947 1 18 . 1 1 8 8 SER CB C 8 59.242 59.242 62.802 -3.560 25830 8948 1 18 . 1 1 8 8 SER H H 8 8.501 8.501 8.371 0.130 25830 8949 1 18 . 1 1 9 9 ALA N N 9 123.669 123.669 123.345 0.324 25830 8950 1 18 . 1 1 9 9 ALA HA H 9 4.165 4.165 4.147 0.018 25830 8951 1 18 . 1 1 9 9 ALA C C 9 177.740 177.740 178.540 -0.800 25830 8952 1 18 . 1 1 9 9 ALA CA C 9 52.218 52.218 54.234 -2.016 25830 8953 1 18 . 1 1 9 9 ALA CB C 9 15.348 15.348 18.434 -3.086 25830 8954 1 18 . 1 1 9 9 ALA H H 9 7.685 7.685 7.404 0.281 25830 8955 1 18 . 1 1 10 10 ASP N N 10 118.653 118.653 117.411 1.242 25830 8956 1 18 . 1 1 10 10 ASP HA H 10 4.414 4.414 4.546 -0.132 25830 8957 1 18 . 1 1 10 10 ASP C C 10 173.327 173.327 177.856 -4.529 25830 8958 1 18 . 1 1 10 10 ASP CA C 10 53.357 53.357 55.821 -2.464 25830 8959 1 18 . 1 1 10 10 ASP CB C 10 35.579 35.579 41.350 -5.771 25830 8960 1 18 . 1 1 10 10 ASP H H 10 8.161 8.161 7.976 0.185 25830 8961 1 18 . 1 1 11 11 LEU N N 11 115.104 115.104 119.659 -4.555 25830 8962 1 18 . 1 1 11 11 LEU HA H 11 4.183 4.183 4.251 -0.068 25830 8963 1 18 . 1 1 11 11 LEU C C 11 175.206 175.206 178.832 -3.626 25830 8964 1 18 . 1 1 11 11 LEU CA C 11 51.360 51.360 56.370 -5.010 25830 8965 1 18 . 1 1 11 11 LEU CB C 11 40.185 40.185 42.188 -2.003 25830 8966 1 18 . 1 1 11 11 LEU H H 11 7.731 7.731 7.563 0.168 25830 8967 1 18 . 1 1 12 12 ALA N N 12 124.133 124.133 123.226 0.907 25830 8968 1 18 . 1 1 12 12 ALA HA H 12 4.309 4.309 4.062 0.247 25830 8969 1 18 . 1 1 12 12 ALA C C 12 174.540 174.540 177.181 -2.641 25830 8970 1 18 . 1 1 12 12 ALA CA C 12 54.075 54.075 56.668 -2.593 25830 8971 1 18 . 1 1 12 12 ALA CB C 12 13.256 13.256 15.892 -2.636 25830 8972 1 18 . 1 1 12 12 ALA H H 12 7.481 7.481 8.017 -0.536 25830 8973 1 18 . 1 1 13 13 PRO HA H 13 4.674 4.674 4.446 0.228 25830 8974 1 18 . 1 1 13 13 PRO C C 13 174.824 174.824 176.287 -1.463 25830 8975 1 18 . 1 1 13 13 PRO CA C 13 61.982 61.982 63.962 -1.980 25830 8976 1 18 . 1 1 13 13 PRO CB C 13 28.804 28.804 31.402 -2.598 25830 8977 1 18 . 1 1 14 14 CYS N N 14 114.225 114.225 118.137 -3.912 25830 8978 1 18 . 1 1 14 14 CYS HA H 14 4.722 4.722 4.819 -0.097 25830 8979 1 18 . 1 1 14 14 CYS C C 14 172.376 172.376 176.358 -3.982 25830 8980 1 18 . 1 1 14 14 CYS CA C 14 51.481 51.481 58.647 -7.166 25830 8981 1 18 . 1 1 14 14 CYS CB C 14 39.508 39.508 27.234 12.274 25830 8982 1 18 . 1 1 14 14 CYS H H 14 8.938 8.938 7.734 1.204 25830 8983 1 18 . 1 1 15 15 VAL N N 15 122.488 122.488 123.202 -0.714 25830 8984 1 18 . 1 1 15 15 VAL HA H 15 3.350 3.350 3.666 -0.316 25830 8985 1 18 . 1 1 15 15 VAL C C 15 173.644 173.644 177.422 -3.778 25830 8986 1 18 . 1 1 15 15 VAL CA C 15 66.608 66.608 67.271 -0.663 25830 8987 1 18 . 1 1 15 15 VAL CB C 15 28.692 28.692 31.680 -2.988 25830 8988 1 18 . 1 1 15 15 VAL H H 15 7.767 7.767 7.710 0.057 25830 8989 1 18 . 1 1 16 16 THR N N 16 112.169 112.169 113.756 -1.587 25830 8990 1 18 . 1 1 16 16 THR HA H 16 4.012 4.012 3.909 0.103 25830 8991 1 18 . 1 1 16 16 THR C C 16 175.021 175.021 175.867 -0.846 25830 8992 1 18 . 1 1 16 16 THR CA C 16 63.879 63.879 66.175 -2.296 25830 8993 1 18 . 1 1 16 16 THR CB C 16 65.364 65.364 68.833 -3.469 25830 8994 1 18 . 1 1 16 16 THR H H 16 8.258 8.258 8.602 -0.344 25830 8995 1 18 . 1 1 17 17 TYR N N 17 124.563 124.563 120.779 3.784 25830 8996 1 18 . 1 1 17 17 TYR HA H 17 4.265 4.265 4.268 -0.003 25830 8997 1 18 . 1 1 17 17 TYR C C 17 174.326 174.326 177.619 -3.293 25830 8998 1 18 . 1 1 17 17 TYR CA C 17 58.001 58.001 60.016 -2.015 25830 8999 1 18 . 1 1 17 17 TYR CB C 17 35.252 35.252 38.005 -2.752 25830 9000 1 18 . 1 1 17 17 TYR H H 17 8.280 8.280 8.107 0.173 25830 9001 1 18 . 1 1 18 18 LEU N N 18 119.213 119.213 119.442 -0.229 25830 9002 1 18 . 1 1 18 18 LEU HA H 18 3.630 3.630 3.582 0.048 25830 9003 1 18 . 1 1 18 18 LEU C C 18 172.858 172.858 178.750 -5.892 25830 9004 1 18 . 1 1 18 18 LEU CA C 18 54.171 54.171 57.549 -3.378 25830 9005 1 18 . 1 1 18 18 LEU CB C 18 38.310 38.310 41.739 -3.429 25830 9006 1 18 . 1 1 18 18 LEU H H 18 8.394 8.394 7.954 0.440 25830 9007 1 18 . 1 1 19 19 GLN N N 19 114.782 114.782 114.187 0.595 25830 9008 1 18 . 1 1 19 19 GLN HA H 19 4.582 4.582 4.533 0.049 25830 9009 1 18 . 1 1 19 19 GLN C C 19 172.754 172.754 175.625 -2.871 25830 9010 1 18 . 1 1 19 19 GLN CA C 19 52.320 52.320 55.387 -3.067 25830 9011 1 18 . 1 1 19 19 GLN CB C 19 27.954 27.954 29.086 -1.132 25830 9012 1 18 . 1 1 19 19 GLN H H 19 7.319 7.319 7.588 -0.269 25830 9013 1 18 . 1 1 20 20 ALA N N 20 126.473 126.473 124.758 1.715 25830 9014 1 18 . 1 1 20 20 ALA HA H 20 4.494 4.494 4.571 -0.077 25830 9015 1 18 . 1 1 20 20 ALA C C 20 171.072 171.072 175.818 -4.746 25830 9016 1 18 . 1 1 20 20 ALA CA C 20 48.862 48.862 50.165 -1.303 25830 9017 1 18 . 1 1 20 20 ALA CB C 20 15.610 15.610 18.864 -3.254 25830 9018 1 18 . 1 1 20 20 ALA H H 20 7.292 7.292 7.507 -0.215 25830 9019 1 18 . 1 1 21 21 PRO HA H 21 4.440 4.440 4.476 -0.036 25830 9020 1 18 . 1 1 21 21 PRO C C 21 174.052 174.052 177.044 -2.992 25830 9021 1 18 . 1 1 21 21 PRO CA C 21 59.522 59.522 61.907 -2.385 25830 9022 1 18 . 1 1 21 21 PRO CB C 21 29.853 29.853 32.284 -2.431 25830 9023 1 18 . 1 1 22 22 ASN N N 22 117.448 117.448 118.220 -0.772 25830 9024 1 18 . 1 1 22 22 ASN HA H 22 4.754 4.754 4.448 0.306 25830 9025 1 18 . 1 1 22 22 ASN C C 22 173.299 173.299 175.808 -2.509 25830 9026 1 18 . 1 1 22 22 ASN CA C 22 51.478 51.478 55.592 -4.114 25830 9027 1 18 . 1 1 22 22 ASN CB C 22 35.291 35.291 37.864 -2.573 25830 9028 1 18 . 1 1 22 22 ASN H H 22 8.466 8.466 8.929 -0.463 25830 9029 1 18 . 1 1 23 23 ASN N N 23 113.171 113.171 115.835 -2.664 25830 9030 1 18 . 1 1 23 23 ASN HA H 23 4.555 4.555 4.607 -0.052 25830 9031 1 18 . 1 1 23 23 ASN C C 23 172.210 172.210 174.720 -2.510 25830 9032 1 18 . 1 1 23 23 ASN CA C 23 50.626 50.626 53.468 -2.842 25830 9033 1 18 . 1 1 23 23 ASN CB C 23 34.278 34.278 37.719 -3.441 25830 9034 1 18 . 1 1 23 23 ASN H H 23 8.187 8.187 8.220 -0.033 25830 9035 1 18 . 1 1 24 24 ALA N N 24 122.578 122.578 122.725 -0.147 25830 9036 1 18 . 1 1 24 24 ALA HA H 24 4.394 4.394 4.528 -0.134 25830 9037 1 18 . 1 1 24 24 ALA C C 24 173.708 173.708 176.812 -3.104 25830 9038 1 18 . 1 1 24 24 ALA CA C 24 49.696 49.696 52.188 -2.492 25830 9039 1 18 . 1 1 24 24 ALA CB C 24 18.288 18.288 20.099 -1.811 25830 9040 1 18 . 1 1 24 24 ALA H H 24 7.381 7.381 7.554 -0.173 25830 9041 1 18 . 1 1 25 25 SER N N 25 115.237 115.237 115.387 -0.150 25830 9042 1 18 . 1 1 25 25 SER HA H 25 4.922 4.922 4.513 0.409 25830 9043 1 18 . 1 1 25 25 SER C C 25 181.107 181.107 172.186 8.921 25830 9044 1 18 . 1 1 25 25 SER CA C 25 53.033 53.033 55.046 -2.013 25830 9045 1 18 . 1 1 25 25 SER CB C 25 61.549 61.549 65.251 -3.702 25830 9046 1 18 . 1 1 25 25 SER H H 25 8.649 8.649 8.280 0.369 25830 9047 1 18 . 1 1 26 26 PRO HA H 26 4.014 4.014 4.308 -0.294 25830 9048 1 18 . 1 1 26 26 PRO CA C 26 57.292 57.292 60.939 -3.647 25830 9049 1 18 . 1 1 26 26 PRO CB C 26 27.450 27.450 30.808 -3.358 25830 9050 1 18 . 1 1 27 27 PRO HA H 27 4.881 4.881 4.802 0.079 25830 9051 1 18 . 1 1 27 27 PRO CA C 27 58.500 58.500 60.613 -2.113 25830 9052 1 18 . 1 1 27 27 PRO CB C 27 28.489 28.489 31.464 -2.975 25830 9053 1 18 . 1 1 28 28 PRO HA H 28 4.421 4.421 4.252 0.169 25830 9054 1 18 . 1 1 28 28 PRO CA C 28 64.505 64.505 66.839 -2.334 25830 9055 1 18 . 1 1 28 28 PRO CB C 28 26.217 26.217 29.700 -3.483 25830 9056 1 18 . 1 1 29 29 PRO HA H 29 4.477 4.477 4.382 0.095 25830 9057 1 18 . 1 1 29 29 PRO C C 29 177.330 177.330 178.612 -1.282 25830 9058 1 18 . 1 1 29 29 PRO CA C 29 62.883 62.883 65.242 -2.359 25830 9059 1 18 . 1 1 29 29 PRO CB C 29 28.301 28.301 31.212 -2.911 25830 9060 1 18 . 1 1 30 30 CYS N N 30 114.694 114.694 117.685 -2.991 25830 9061 1 18 . 1 1 30 30 CYS HA H 30 4.456 4.456 4.237 0.219 25830 9062 1 18 . 1 1 30 30 CYS C C 30 172.260 172.260 176.533 -4.273 25830 9063 1 18 . 1 1 30 30 CYS CA C 30 55.585 55.585 61.875 -6.290 25830 9064 1 18 . 1 1 30 30 CYS CB C 30 34.602 34.602 26.122 8.480 25830 9065 1 18 . 1 1 30 30 CYS H H 30 7.637 7.637 7.623 0.014 25830 9066 1 18 . 1 1 31 31 CYS N N 31 116.335 116.335 120.448 -4.113 25830 9067 1 18 . 1 1 31 31 CYS HA H 31 4.607 4.607 4.100 0.507 25830 9068 1 18 . 1 1 31 31 CYS C C 31 174.401 174.401 177.191 -2.790 25830 9069 1 18 . 1 1 31 31 CYS CA C 31 51.858 51.858 63.221 -11.363 25830 9070 1 18 . 1 1 31 31 CYS CB C 31 29.979 29.979 25.659 4.320 25830 9071 1 18 . 1 1 31 31 CYS H H 31 7.083 7.083 8.090 -1.007 25830 9072 1 18 . 1 1 32 32 ALA N N 32 121.738 121.738 121.845 -0.107 25830 9073 1 18 . 1 1 32 32 ALA HA H 32 4.070 4.070 3.910 0.160 25830 9074 1 18 . 1 1 32 32 ALA C C 32 177.730 177.730 179.278 -1.548 25830 9075 1 18 . 1 1 32 32 ALA CA C 32 52.557 52.557 55.188 -2.631 25830 9076 1 18 . 1 1 32 32 ALA CB C 32 15.204 15.204 17.956 -2.752 25830 9077 1 18 . 1 1 32 32 ALA H H 32 8.481 8.481 7.829 0.652 25830 9078 1 18 . 1 1 33 33 GLY N N 33 108.715 108.715 106.525 2.190 25830 9079 1 18 . 1 1 33 33 GLY C C 33 172.825 172.825 176.298 -3.473 25830 9080 1 18 . 1 1 33 33 GLY CA C 33 44.748 44.748 47.165 -2.417 25830 9081 1 18 . 1 1 33 33 GLY H H 33 7.683 7.683 7.869 -0.186 25830 9082 1 18 . 1 1 34 34 VAL N N 34 121.079 121.079 120.688 0.391 25830 9083 1 18 . 1 1 34 34 VAL HA H 34 3.489 3.489 3.718 -0.229 25830 9084 1 18 . 1 1 34 34 VAL C C 34 174.764 174.764 178.563 -3.799 25830 9085 1 18 . 1 1 34 34 VAL CA C 34 63.930 63.930 66.066 -2.136 25830 9086 1 18 . 1 1 34 34 VAL CB C 34 29.037 29.037 31.280 -2.243 25830 9087 1 18 . 1 1 34 34 VAL H H 34 8.085 8.085 7.495 0.590 25830 9088 1 18 . 1 1 35 35 LYS N N 35 117.845 117.845 117.953 -0.108 25830 9089 1 18 . 1 1 35 35 LYS HA H 35 3.814 3.814 4.142 -0.328 25830 9090 1 18 . 1 1 35 35 LYS C C 35 176.677 176.677 178.686 -2.009 25830 9091 1 18 . 1 1 35 35 LYS CA C 35 57.849 57.849 58.715 -0.866 25830 9092 1 18 . 1 1 35 35 LYS CB C 35 29.635 29.635 31.782 -2.147 25830 9093 1 18 . 1 1 35 35 LYS H H 35 8.089 8.089 7.768 0.321 25830 9094 1 18 . 1 1 36 36 LYS N N 36 120.507 120.507 120.699 -0.192 25830 9095 1 18 . 1 1 36 36 LYS HA H 36 3.946 3.946 4.111 -0.165 25830 9096 1 18 . 1 1 36 36 LYS C C 36 176.481 176.481 178.292 -1.811 25830 9097 1 18 . 1 1 36 36 LYS CA C 36 56.889 56.889 58.263 -1.374 25830 9098 1 18 . 1 1 36 36 LYS CB C 36 29.999 29.999 32.203 -2.204 25830 9099 1 18 . 1 1 36 36 LYS H H 36 7.940 7.940 7.659 0.281 25830 9100 1 18 . 1 1 37 37 LEU N N 37 121.929 121.929 119.991 1.938 25830 9101 1 18 . 1 1 37 37 LEU HA H 37 4.012 4.012 3.959 0.053 25830 9102 1 18 . 1 1 37 37 LEU C C 37 175.490 175.490 178.370 -2.880 25830 9103 1 18 . 1 1 37 37 LEU CA C 37 55.567 55.567 57.297 -1.730 25830 9104 1 18 . 1 1 37 37 LEU CB C 37 38.621 38.621 41.697 -3.076 25830 9105 1 18 . 1 1 37 37 LEU H H 37 7.882 7.882 7.465 0.417 25830 9106 1 18 . 1 1 38 38 LEU N N 38 117.061 117.061 119.545 -2.484 25830 9107 1 18 . 1 1 38 38 LEU HA H 38 4.050 4.050 3.994 0.056 25830 9108 1 18 . 1 1 38 38 LEU C C 38 177.275 177.275 178.416 -1.141 25830 9109 1 18 . 1 1 38 38 LEU CA C 38 54.535 54.535 57.616 -3.081 25830 9110 1 18 . 1 1 38 38 LEU CB C 38 38.448 38.448 41.554 -3.106 25830 9111 1 18 . 1 1 38 38 LEU H H 38 7.812 7.812 7.584 0.228 25830 9112 1 18 . 1 1 39 39 ALA N N 39 119.986 119.986 117.797 2.189 25830 9113 1 18 . 1 1 39 39 ALA HA H 39 4.105 4.105 4.309 -0.204 25830 9114 1 18 . 1 1 39 39 ALA C C 39 175.721 175.721 177.659 -1.938 25830 9115 1 18 . 1 1 39 39 ALA CA C 39 50.910 50.910 52.267 -1.357 25830 9116 1 18 . 1 1 39 39 ALA CB C 39 15.545 15.545 18.864 -3.319 25830 9117 1 18 . 1 1 39 39 ALA H H 39 7.914 7.914 7.663 0.251 25830 9118 1 18 . 1 1 40 40 ALA N N 40 118.015 118.015 122.694 -4.679 25830 9119 1 18 . 1 1 40 40 ALA HA H 40 4.266 4.266 4.291 -0.025 25830 9120 1 18 . 1 1 40 40 ALA C C 40 174.416 174.416 178.006 -3.590 25830 9121 1 18 . 1 1 40 40 ALA CA C 40 49.886 49.886 52.692 -2.806 25830 9122 1 18 . 1 1 40 40 ALA CB C 40 16.330 16.330 20.066 -3.736 25830 9123 1 18 . 1 1 40 40 ALA H H 40 7.302 7.302 7.543 -0.241 25830 9124 1 18 . 1 1 41 41 ALA N N 41 122.389 122.389 120.659 1.730 25830 9125 1 18 . 1 1 41 41 ALA HA H 41 4.605 4.605 4.220 0.385 25830 9126 1 18 . 1 1 41 41 ALA C C 41 172.709 172.709 177.227 -4.518 25830 9127 1 18 . 1 1 41 41 ALA CA C 41 47.917 47.917 52.408 -4.491 25830 9128 1 18 . 1 1 41 41 ALA CB C 41 15.072 15.072 19.880 -4.808 25830 9129 1 18 . 1 1 41 41 ALA H H 41 7.304 7.304 7.566 -0.262 25830 9130 1 18 . 1 1 42 42 THR N N 42 113.142 113.142 115.988 -2.846 25830 9131 1 18 . 1 1 42 42 THR HA H 42 4.422 4.422 4.321 0.101 25830 9132 1 18 . 1 1 42 42 THR C C 42 172.086 172.086 175.297 -3.211 25830 9133 1 18 . 1 1 42 42 THR CA C 42 59.772 59.772 63.000 -3.228 25830 9134 1 18 . 1 1 42 42 THR CB C 42 66.992 66.992 69.508 -2.516 25830 9135 1 18 . 1 1 42 42 THR H H 42 8.663 8.663 8.653 0.010 25830 9136 1 18 . 1 1 43 43 THR N N 43 111.501 111.501 113.173 -1.672 25830 9137 1 18 . 1 1 43 43 THR HA H 43 4.704 4.704 4.397 0.307 25830 9138 1 18 . 1 1 43 43 THR C C 43 172.283 172.283 175.316 -3.033 25830 9139 1 18 . 1 1 43 43 THR CA C 43 56.869 56.869 60.416 -3.547 25830 9140 1 18 . 1 1 43 43 THR CB C 43 69.211 69.211 71.068 -1.857 25830 9141 1 18 . 1 1 43 43 THR H H 43 7.705 7.705 7.565 0.140 25830 9142 1 18 . 1 1 44 44 THR N N 44 119.157 119.157 115.357 3.800 25830 9143 1 18 . 1 1 44 44 THR HA H 44 3.861 3.861 4.287 -0.426 25830 9144 1 18 . 1 1 44 44 THR CA C 44 66.420 66.420 67.698 -1.278 25830 9145 1 18 . 1 1 44 44 THR CB C 44 63.702 63.702 66.997 -3.295 25830 9146 1 18 . 1 1 44 44 THR H H 44 9.305 9.305 8.439 0.866 25830 9147 1 18 . 1 1 45 45 PRO HA H 45 4.345 4.345 4.049 0.296 25830 9148 1 18 . 1 1 45 45 PRO C C 45 177.238 177.238 177.859 -0.621 25830 9149 1 18 . 1 1 45 45 PRO CA C 45 63.192 63.192 64.713 -1.521 25830 9150 1 18 . 1 1 45 45 PRO CB C 45 28.232 28.232 31.056 -2.824 25830 9151 1 18 . 1 1 46 46 ASP N N 46 117.412 117.412 119.597 -2.185 25830 9152 1 18 . 1 1 46 46 ASP HA H 46 4.571 4.571 4.368 0.203 25830 9153 1 18 . 1 1 46 46 ASP C C 46 175.358 175.358 177.812 -2.454 25830 9154 1 18 . 1 1 46 46 ASP CA C 46 54.436 54.436 56.787 -2.351 25830 9155 1 18 . 1 1 46 46 ASP CB C 46 37.884 37.884 40.522 -2.638 25830 9156 1 18 . 1 1 46 46 ASP H H 46 7.238 7.238 7.879 -0.641 25830 9157 1 18 . 1 1 47 47 ARG N N 47 122.342 122.342 117.945 4.397 25830 9158 1 18 . 1 1 47 47 ARG HA H 47 3.754 3.754 4.016 -0.262 25830 9159 1 18 . 1 1 47 47 ARG C C 47 176.688 176.688 178.654 -1.966 25830 9160 1 18 . 1 1 47 47 ARG CA C 47 57.351 57.351 58.886 -1.535 25830 9161 1 18 . 1 1 47 47 ARG CB C 47 26.606 26.606 29.486 -2.880 25830 9162 1 18 . 1 1 47 47 ARG H H 47 8.383 8.383 7.485 0.898 25830 9163 1 18 . 1 1 48 48 GLN N N 48 120.813 120.813 119.278 1.535 25830 9164 1 18 . 1 1 48 48 GLN HA H 48 3.650 3.650 4.095 -0.445 25830 9165 1 18 . 1 1 48 48 GLN C C 48 175.354 175.354 177.655 -2.301 25830 9166 1 18 . 1 1 48 48 GLN CA C 48 56.742 56.742 58.661 -1.919 25830 9167 1 18 . 1 1 48 48 GLN CB C 48 25.406 25.406 28.463 -3.057 25830 9168 1 18 . 1 1 48 48 GLN H H 48 8.176 8.176 7.679 0.497 25830 9169 1 18 . 1 1 49 49 ALA N N 49 122.476 122.476 121.266 1.210 25830 9170 1 18 . 1 1 49 49 ALA HA H 49 4.224 4.224 3.995 0.229 25830 9171 1 18 . 1 1 49 49 ALA C C 49 177.581 177.581 179.053 -1.472 25830 9172 1 18 . 1 1 49 49 ALA CA C 49 52.410 52.410 54.739 -2.329 25830 9173 1 18 . 1 1 49 49 ALA CB C 49 15.305 15.305 17.992 -2.687 25830 9174 1 18 . 1 1 49 49 ALA H H 49 8.079 8.079 7.537 0.542 25830 9175 1 18 . 1 1 50 50 ALA N N 50 121.104 121.104 120.507 0.597 25830 9176 1 18 . 1 1 50 50 ALA HA H 50 3.686 3.686 3.971 -0.285 25830 9177 1 18 . 1 1 50 50 ALA C C 50 175.478 175.478 178.707 -3.229 25830 9178 1 18 . 1 1 50 50 ALA CA C 50 53.344 53.344 55.216 -1.872 25830 9179 1 18 . 1 1 50 50 ALA CB C 50 14.032 14.032 17.865 -3.833 25830 9180 1 18 . 1 1 50 50 ALA H H 50 8.494 8.494 7.621 0.873 25830 9181 1 18 . 1 1 51 51 CYS N N 51 117.063 117.063 118.354 -1.291 25830 9182 1 18 . 1 1 51 51 CYS HA H 51 4.091 4.091 4.295 -0.204 25830 9183 1 18 . 1 1 51 51 CYS C C 51 173.692 173.692 177.199 -3.507 25830 9184 1 18 . 1 1 51 51 CYS CA C 51 57.660 57.660 60.958 -3.298 25830 9185 1 18 . 1 1 51 51 CYS CB C 51 34.278 34.278 25.444 8.834 25830 9186 1 18 . 1 1 51 51 CYS H H 51 7.466 7.466 8.009 -0.543 25830 9187 1 18 . 1 1 52 52 ASN N N 52 120.867 120.867 118.865 2.002 25830 9188 1 18 . 1 1 52 52 ASN HA H 52 4.403 4.403 4.551 -0.148 25830 9189 1 18 . 1 1 52 52 ASN C C 52 176.290 176.290 177.156 -0.866 25830 9190 1 18 . 1 1 52 52 ASN CA C 52 54.177 54.177 56.354 -2.177 25830 9191 1 18 . 1 1 52 52 ASN CB C 52 36.302 36.302 38.202 -1.900 25830 9192 1 18 . 1 1 52 52 ASN H H 52 8.164 8.164 7.654 0.510 25830 9193 1 18 . 1 1 53 53 CYS N N 53 119.542 119.542 118.817 0.725 25830 9194 1 18 . 1 1 53 53 CYS HA H 53 4.543 4.543 4.336 0.207 25830 9195 1 18 . 1 1 53 53 CYS C C 53 175.294 175.294 177.408 -2.114 25830 9196 1 18 . 1 1 53 53 CYS CA C 53 53.637 53.637 62.809 -9.172 25830 9197 1 18 . 1 1 53 53 CYS CB C 53 34.302 34.302 26.084 8.218 25830 9198 1 18 . 1 1 53 53 CYS H H 53 8.974 8.974 8.085 0.889 25830 9199 1 18 . 1 1 54 54 LEU N N 54 124.510 124.510 121.148 3.362 25830 9200 1 18 . 1 1 54 54 LEU HA H 54 3.964 3.964 3.980 -0.016 25830 9201 1 18 . 1 1 54 54 LEU C C 54 175.082 175.082 178.389 -3.307 25830 9202 1 18 . 1 1 54 54 LEU CA C 54 55.725 55.725 59.072 -3.347 25830 9203 1 18 . 1 1 54 54 LEU CB C 54 39.035 39.035 41.420 -2.385 25830 9204 1 18 . 1 1 54 54 LEU H H 54 8.794 8.794 8.052 0.742 25830 9205 1 18 . 1 1 55 55 LYS N N 55 120.615 120.615 118.652 1.963 25830 9206 1 18 . 1 1 55 55 LYS HA H 55 3.929 3.929 4.015 -0.086 25830 9207 1 18 . 1 1 55 55 LYS C C 55 176.860 176.860 178.442 -1.582 25830 9208 1 18 . 1 1 55 55 LYS CA C 55 57.089 57.089 59.202 -2.113 25830 9209 1 18 . 1 1 55 55 LYS CB C 55 30.420 30.420 31.589 -1.169 25830 9210 1 18 . 1 1 55 55 LYS H H 55 8.119 8.119 7.887 0.232 25830 9211 1 18 . 1 1 56 56 SER N N 56 113.653 113.653 114.407 -0.754 25830 9212 1 18 . 1 1 56 56 SER HA H 56 4.202 4.202 4.345 -0.143 25830 9213 1 18 . 1 1 56 56 SER C C 56 175.009 175.009 176.721 -1.712 25830 9214 1 18 . 1 1 56 56 SER CA C 56 58.397 58.397 60.807 -2.410 25830 9215 1 18 . 1 1 56 56 SER CB C 56 60.063 60.063 63.098 -3.035 25830 9216 1 18 . 1 1 56 56 SER H H 56 7.746 7.746 7.365 0.381 25830 9217 1 18 . 1 1 57 57 ALA N N 57 125.184 125.184 123.869 1.315 25830 9218 1 18 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.028 0.045 25830 9219 1 18 . 1 1 57 57 ALA C C 57 177.735 177.735 179.068 -1.333 25830 9220 1 18 . 1 1 57 57 ALA CA C 57 52.222 52.222 54.623 -2.401 25830 9221 1 18 . 1 1 57 57 ALA CB C 57 14.710 14.710 17.959 -3.249 25830 9222 1 18 . 1 1 57 57 ALA H H 57 8.370 8.370 8.684 -0.314 25830 9223 1 18 . 1 1 58 58 ALA N N 58 119.288 119.288 120.270 -0.982 25830 9224 1 18 . 1 1 58 58 ALA HA H 58 3.873 3.873 4.033 -0.160 25830 9225 1 18 . 1 1 58 58 ALA C C 58 176.201 176.201 179.591 -3.390 25830 9226 1 18 . 1 1 58 58 ALA CA C 58 52.154 52.154 54.395 -2.240 25830 9227 1 18 . 1 1 58 58 ALA CB C 58 13.944 13.944 18.479 -4.535 25830 9228 1 18 . 1 1 58 58 ALA H H 58 8.355 8.355 8.161 0.194 25830 9229 1 18 . 1 1 59 59 GLY N N 59 101.896 101.896 104.066 -2.170 25830 9230 1 18 . 1 1 59 59 GLY C C 59 171.619 171.619 175.285 -3.666 25830 9231 1 18 . 1 1 59 59 GLY CA C 59 43.245 43.245 45.123 -1.878 25830 9232 1 18 . 1 1 59 59 GLY H H 59 7.613 7.613 8.065 -0.452 25830 9233 1 18 . 1 1 60 60 SER N N 60 114.297 114.297 115.127 -0.830 25830 9234 1 18 . 1 1 60 60 SER HA H 60 4.548 4.548 4.540 0.007 25830 9235 1 18 . 1 1 60 60 SER C C 60 171.232 171.232 174.148 -2.916 25830 9236 1 18 . 1 1 60 60 SER CA C 60 55.817 55.817 57.667 -1.850 25830 9237 1 18 . 1 1 60 60 SER CB C 60 61.793 61.793 64.057 -2.264 25830 9238 1 18 . 1 1 60 60 SER H H 60 7.570 7.570 7.877 -0.307 25830 9239 1 18 . 1 1 61 61 ILE N N 61 125.096 125.096 126.574 -1.478 25830 9240 1 18 . 1 1 61 61 ILE HA H 61 4.272 4.272 4.475 -0.203 25830 9241 1 18 . 1 1 61 61 ILE C C 61 170.966 170.966 174.277 -3.311 25830 9242 1 18 . 1 1 61 61 ILE CA C 61 56.364 56.364 58.316 -1.952 25830 9243 1 18 . 1 1 61 61 ILE CB C 61 36.307 36.307 38.648 -2.341 25830 9244 1 18 . 1 1 61 61 ILE H H 61 7.222 7.222 7.405 -0.183 25830 9245 1 18 . 1 1 62 62 PRO HA H 62 4.317 4.317 4.492 -0.175 25830 9246 1 18 . 1 1 62 62 PRO C C 62 173.935 173.935 176.369 -2.434 25830 9247 1 18 . 1 1 62 62 PRO CA C 62 60.634 60.634 63.310 -2.676 25830 9248 1 18 . 1 1 62 62 PRO CB C 62 29.399 29.399 31.748 -2.349 25830 9249 1 18 . 1 1 63 63 LYS N N 63 115.837 115.837 117.174 -1.337 25830 9250 1 18 . 1 1 63 63 LYS HA H 63 3.916 3.916 3.822 0.094 25830 9251 1 18 . 1 1 63 63 LYS C C 63 172.800 172.800 176.103 -3.303 25830 9252 1 18 . 1 1 63 63 LYS CA C 63 53.303 53.303 56.471 -3.168 25830 9253 1 18 . 1 1 63 63 LYS CB C 63 26.973 26.973 29.741 -2.768 25830 9254 1 18 . 1 1 63 63 LYS H H 63 8.584 8.584 8.567 0.017 25830 9255 1 18 . 1 1 64 64 LEU N N 64 118.672 118.672 120.431 -1.759 25830 9256 1 18 . 1 1 64 64 LEU HA H 64 3.625 3.625 4.002 -0.377 25830 9257 1 18 . 1 1 64 64 LEU C C 64 173.690 173.690 175.773 -2.083 25830 9258 1 18 . 1 1 64 64 LEU CA C 64 53.929 53.929 55.891 -1.962 25830 9259 1 18 . 1 1 64 64 LEU CB C 64 39.878 39.878 42.099 -2.221 25830 9260 1 18 . 1 1 64 64 LEU H H 64 7.116 7.116 7.572 -0.456 25830 9261 1 18 . 1 1 65 65 ASN N N 65 125.562 125.562 125.406 0.156 25830 9262 1 18 . 1 1 65 65 ASN HA H 65 4.879 4.879 4.941 -0.062 25830 9263 1 18 . 1 1 65 65 ASN C C 65 174.338 174.338 175.976 -1.638 25830 9264 1 18 . 1 1 65 65 ASN CA C 65 48.862 48.862 51.529 -2.667 25830 9265 1 18 . 1 1 65 65 ASN CB C 65 34.238 34.238 39.209 -4.971 25830 9266 1 18 . 1 1 65 65 ASN H H 65 9.348 9.348 8.341 1.007 25830 9267 1 18 . 1 1 66 66 THR N N 66 118.448 118.448 118.919 -0.471 25830 9268 1 18 . 1 1 66 66 THR HA H 66 3.840 3.840 3.838 0.002 25830 9269 1 18 . 1 1 66 66 THR C C 66 174.820 174.820 175.981 -1.161 25830 9270 1 18 . 1 1 66 66 THR CA C 66 62.576 62.576 65.772 -3.196 25830 9271 1 18 . 1 1 66 66 THR CB C 66 65.348 65.348 68.737 -3.389 25830 9272 1 18 . 1 1 66 66 THR H H 66 8.735 8.735 8.432 0.303 25830 9273 1 18 . 1 1 67 67 ASN N N 67 121.545 121.545 118.734 2.811 25830 9274 1 18 . 1 1 67 67 ASN HA H 67 4.460 4.460 4.403 0.057 25830 9275 1 18 . 1 1 67 67 ASN C C 67 174.825 174.825 177.723 -2.898 25830 9276 1 18 . 1 1 67 67 ASN CA C 67 53.781 53.781 56.177 -2.396 25830 9277 1 18 . 1 1 67 67 ASN CB C 67 35.495 35.495 38.616 -3.121 25830 9278 1 18 . 1 1 67 67 ASN H H 67 8.229 8.229 8.024 0.205 25830 9279 1 18 . 1 1 68 68 ASN N N 68 122.399 122.399 118.471 3.928 25830 9280 1 18 . 1 1 68 68 ASN HA H 68 4.463 4.463 4.399 0.064 25830 9281 1 18 . 1 1 68 68 ASN C C 68 175.357 175.357 176.222 -0.865 25830 9282 1 18 . 1 1 68 68 ASN CA C 68 52.009 52.009 55.671 -3.662 25830 9283 1 18 . 1 1 68 68 ASN CB C 68 32.853 32.853 38.043 -5.190 25830 9284 1 18 . 1 1 68 68 ASN H H 68 7.153 7.153 7.908 -0.755 25830 9285 1 18 . 1 1 69 69 ALA N N 69 123.588 123.588 120.990 2.598 25830 9286 1 18 . 1 1 69 69 ALA HA H 69 3.930 3.930 4.144 -0.214 25830 9287 1 18 . 1 1 69 69 ALA C C 69 175.919 175.919 178.292 -2.373 25830 9288 1 18 . 1 1 69 69 ALA CA C 69 53.087 53.087 54.305 -1.218 25830 9289 1 18 . 1 1 69 69 ALA CB C 69 14.867 14.867 18.185 -3.318 25830 9290 1 18 . 1 1 69 69 ALA H H 69 7.942 7.942 7.408 0.534 25830 9291 1 18 . 1 1 70 70 ALA N N 70 117.736 117.736 119.513 -1.777 25830 9292 1 18 . 1 1 70 70 ALA HA H 70 4.250 4.250 4.202 0.048 25830 9293 1 18 . 1 1 70 70 ALA C C 70 176.704 176.704 178.827 -2.123 25830 9294 1 18 . 1 1 70 70 ALA CA C 70 51.706 51.706 54.328 -2.623 25830 9295 1 18 . 1 1 70 70 ALA CB C 70 15.507 15.507 19.027 -3.520 25830 9296 1 18 . 1 1 70 70 ALA H H 70 7.574 7.574 7.403 0.171 25830 9297 1 18 . 1 1 71 71 ALA N N 71 117.858 117.858 120.790 -2.932 25830 9298 1 18 . 1 1 71 71 ALA HA H 71 4.321 4.321 4.389 -0.068 25830 9299 1 18 . 1 1 71 71 ALA C C 71 175.190 175.190 179.217 -4.027 25830 9300 1 18 . 1 1 71 71 ALA CA C 71 50.142 50.142 53.758 -3.616 25830 9301 1 18 . 1 1 71 71 ALA CB C 71 16.908 16.908 18.384 -1.476 25830 9302 1 18 . 1 1 71 71 ALA H H 71 7.676 7.676 7.370 0.306 25830 9303 1 18 . 1 1 72 72 LEU N N 72 117.566 117.566 122.216 -4.650 25830 9304 1 18 . 1 1 72 72 LEU HA H 72 4.097 4.097 4.376 -0.279 25830 9305 1 18 . 1 1 72 72 LEU C C 72 170.406 170.406 175.451 -5.045 25830 9306 1 18 . 1 1 72 72 LEU CA C 72 57.688 57.688 59.730 -2.042 25830 9307 1 18 . 1 1 72 72 LEU CB C 72 36.632 36.632 39.631 -2.999 25830 9308 1 18 . 1 1 72 72 LEU H H 72 7.494 7.494 7.660 -0.166 25830 9309 1 18 . 1 1 73 73 PRO HA H 73 3.793 3.793 4.319 -0.526 25830 9310 1 18 . 1 1 73 73 PRO C C 73 176.416 176.416 179.290 -2.874 25830 9311 1 18 . 1 1 73 73 PRO CA C 73 64.431 64.431 65.904 -1.473 25830 9312 1 18 . 1 1 73 73 PRO CB C 73 27.928 27.928 30.759 -2.831 25830 9313 1 18 . 1 1 74 74 GLY N N 74 106.170 106.170 107.257 -1.087 25830 9314 1 18 . 1 1 74 74 GLY C C 74 176.081 176.081 176.419 -0.338 25830 9315 1 18 . 1 1 74 74 GLY CA C 74 44.577 44.577 47.211 -2.634 25830 9316 1 18 . 1 1 74 74 GLY H H 74 8.374 8.374 7.872 0.502 25830 9317 1 18 . 1 1 75 75 LYS N N 75 121.379 121.379 119.274 2.105 25830 9318 1 18 . 1 1 75 75 LYS HA H 75 4.162 4.162 4.234 -0.072 25830 9319 1 18 . 1 1 75 75 LYS C C 75 175.735 175.735 177.929 -2.194 25830 9320 1 18 . 1 1 75 75 LYS CA C 75 56.053 56.053 57.694 -1.641 25830 9321 1 18 . 1 1 75 75 LYS CB C 75 30.087 30.087 31.986 -1.899 25830 9322 1 18 . 1 1 75 75 LYS H H 75 8.417 8.417 8.366 0.051 25830 9323 1 18 . 1 1 76 76 CYS N N 76 115.021 115.021 116.521 -1.500 25830 9324 1 18 . 1 1 76 76 CYS HA H 76 4.895 4.895 4.353 0.542 25830 9325 1 18 . 1 1 76 76 CYS C C 76 172.300 172.300 174.726 -2.426 25830 9326 1 18 . 1 1 76 76 CYS CA C 76 49.730 49.730 59.631 -9.901 25830 9327 1 18 . 1 1 76 76 CYS CB C 76 32.817 32.817 27.201 5.617 25830 9328 1 18 . 1 1 76 76 CYS H H 76 7.756 7.756 7.664 0.092 25830 9329 1 18 . 1 1 77 77 GLY N N 77 109.352 109.352 107.134 2.218 25830 9330 1 18 . 1 1 77 77 GLY C C 77 171.753 171.753 174.264 -2.511 25830 9331 1 18 . 1 1 77 77 GLY CA C 77 43.794 43.794 45.415 -1.621 25830 9332 1 18 . 1 1 77 77 GLY H H 77 7.894 7.894 7.623 0.271 25830 9333 1 18 . 1 1 78 78 VAL N N 78 115.528 115.528 116.756 -1.228 25830 9334 1 18 . 1 1 78 78 VAL HA H 78 4.491 4.491 4.472 0.019 25830 9335 1 18 . 1 1 78 78 VAL C C 78 171.256 171.256 174.645 -3.389 25830 9336 1 18 . 1 1 78 78 VAL CA C 78 56.800 56.800 60.751 -3.951 25830 9337 1 18 . 1 1 78 78 VAL CB C 78 31.741 31.741 32.841 -1.100 25830 9338 1 18 . 1 1 78 78 VAL H H 78 8.137 8.137 7.464 0.673 25830 9339 1 18 . 1 1 79 79 SER N N 79 116.418 116.418 120.849 -4.431 25830 9340 1 18 . 1 1 79 79 SER HA H 79 4.583 4.583 4.675 -0.092 25830 9341 1 18 . 1 1 79 79 SER C C 79 170.681 170.681 174.250 -3.569 25830 9342 1 18 . 1 1 79 79 SER CA C 79 54.258 54.258 57.257 -2.999 25830 9343 1 18 . 1 1 79 79 SER CB C 79 61.468 61.468 63.982 -2.514 25830 9344 1 18 . 1 1 79 79 SER H H 79 8.124 8.124 8.319 -0.195 25830 9345 1 18 . 1 1 80 80 ILE N N 80 120.257 120.257 123.120 -2.863 25830 9346 1 18 . 1 1 80 80 ILE HA H 80 4.639 4.639 4.758 -0.119 25830 9347 1 18 . 1 1 80 80 ILE C C 80 172.830 172.830 174.893 -2.063 25830 9348 1 18 . 1 1 80 80 ILE CA C 80 55.333 55.333 57.250 -1.917 25830 9349 1 18 . 1 1 80 80 ILE CB C 80 38.093 38.093 37.052 1.041 25830 9350 1 18 . 1 1 80 80 ILE H H 80 8.089 8.089 8.342 -0.253 25830 9351 1 18 . 1 1 81 81 PRO HA H 81 4.547 4.547 4.446 0.101 25830 9352 1 18 . 1 1 81 81 PRO C C 81 171.325 171.325 175.945 -4.620 25830 9353 1 18 . 1 1 81 81 PRO CA C 81 60.903 60.903 64.152 -3.249 25830 9354 1 18 . 1 1 81 81 PRO CB C 81 27.693 27.693 32.265 -4.572 25830 9355 1 18 . 1 1 82 82 TYR N N 82 115.259 115.259 116.930 -1.671 25830 9356 1 18 . 1 1 82 82 TYR HA H 82 4.732 4.732 4.750 -0.018 25830 9357 1 18 . 1 1 82 82 TYR C C 82 170.187 170.187 173.524 -3.337 25830 9358 1 18 . 1 1 82 82 TYR CA C 82 51.930 51.930 55.597 -3.667 25830 9359 1 18 . 1 1 82 82 TYR CB C 82 37.275 37.275 38.982 -1.707 25830 9360 1 18 . 1 1 82 82 TYR H H 82 6.642 6.642 7.558 -0.916 25830 9361 1 18 . 1 1 83 83 LYS N N 83 116.992 116.992 117.792 -0.800 25830 9362 1 18 . 1 1 83 83 LYS HA H 83 4.464 4.464 4.337 0.127 25830 9363 1 18 . 1 1 83 83 LYS C C 83 174.342 174.342 175.656 -1.314 25830 9364 1 18 . 1 1 83 83 LYS CA C 83 51.653 51.653 54.397 -2.744 25830 9365 1 18 . 1 1 83 83 LYS CB C 83 31.513 31.513 35.089 -3.576 25830 9366 1 18 . 1 1 83 83 LYS H H 83 8.301 8.301 8.192 0.109 25830 9367 1 18 . 1 1 84 84 ILE N N 84 126.906 126.906 122.437 4.469 25830 9368 1 18 . 1 1 84 84 ILE HA H 84 3.913 3.913 4.196 -0.283 25830 9369 1 18 . 1 1 84 84 ILE C C 84 170.945 170.945 174.706 -3.761 25830 9370 1 18 . 1 1 84 84 ILE CA C 84 59.761 59.761 61.450 -1.689 25830 9371 1 18 . 1 1 84 84 ILE CB C 84 33.534 33.534 36.593 -3.058 25830 9372 1 18 . 1 1 84 84 ILE H H 84 9.304 9.304 8.481 0.823 25830 9373 1 18 . 1 1 85 85 SER N N 85 120.246 120.246 120.386 -0.140 25830 9374 1 18 . 1 1 85 85 SER HA H 85 4.563 4.563 4.779 -0.216 25830 9375 1 18 . 1 1 85 85 SER C C 85 171.695 171.695 174.678 -2.983 25830 9376 1 18 . 1 1 85 85 SER CA C 85 53.394 53.394 57.358 -3.964 25830 9377 1 18 . 1 1 85 85 SER CB C 85 61.638 61.638 66.272 -4.634 25830 9378 1 18 . 1 1 85 85 SER H H 85 7.256 7.256 8.006 -0.750 25830 9379 1 18 . 1 1 86 86 THR N N 86 115.458 115.458 115.487 -0.029 25830 9380 1 18 . 1 1 86 86 THR HA H 86 4.147 4.147 4.189 -0.042 25830 9381 1 18 . 1 1 86 86 THR C C 86 172.663 172.663 175.830 -3.167 25830 9382 1 18 . 1 1 86 86 THR CA C 86 61.527 61.527 64.497 -2.970 25830 9383 1 18 . 1 1 86 86 THR CB C 86 65.858 65.858 68.968 -3.110 25830 9384 1 18 . 1 1 86 86 THR H H 86 8.819 8.819 8.566 0.253 25830 9385 1 18 . 1 1 87 87 SER N N 87 114.029 114.029 114.612 -0.583 25830 9386 1 18 . 1 1 87 87 SER HA H 87 4.524 4.524 4.479 0.045 25830 9387 1 18 . 1 1 87 87 SER C C 87 172.010 172.010 174.457 -2.447 25830 9388 1 18 . 1 1 87 87 SER CA C 87 55.408 55.408 58.383 -2.975 25830 9389 1 18 . 1 1 87 87 SER CB C 87 61.144 61.144 63.223 -2.079 25830 9390 1 18 . 1 1 87 87 SER H H 87 8.239 8.239 7.940 0.299 25830 9391 1 18 . 1 1 88 88 THR N N 88 120.831 120.831 118.692 2.139 25830 9392 1 18 . 1 1 88 88 THR HA H 88 3.808 3.808 4.295 -0.487 25830 9393 1 18 . 1 1 88 88 THR C C 88 181.273 181.273 174.189 7.084 25830 9394 1 18 . 1 1 88 88 THR CA C 88 61.409 61.409 64.069 -2.659 25830 9395 1 18 . 1 1 88 88 THR CB C 88 67.556 67.556 69.293 -1.737 25830 9396 1 18 . 1 1 88 88 THR H H 88 7.142 7.142 7.226 -0.084 25830 9397 1 18 . 1 1 89 89 ASN N N 89 124.818 124.818 125.914 -1.096 25830 9398 1 18 . 1 1 89 89 ASN HA H 89 4.819 4.819 4.780 0.039 25830 9399 1 18 . 1 1 89 89 ASN C C 89 173.325 173.325 175.658 -2.333 25830 9400 1 18 . 1 1 89 89 ASN CA C 89 48.483 48.483 52.846 -4.363 25830 9401 1 18 . 1 1 89 89 ASN CB C 89 34.958 34.958 38.662 -3.704 25830 9402 1 18 . 1 1 89 89 ASN H H 89 8.754 8.754 8.745 0.009 25830 9403 1 18 . 1 1 90 90 CYS N N 90 123.361 123.361 124.132 -0.771 25830 9404 1 18 . 1 1 90 90 CYS HA H 90 4.174 4.174 4.049 0.125 25830 9405 1 18 . 1 1 90 90 CYS C C 90 172.573 172.573 175.939 -3.366 25830 9406 1 18 . 1 1 90 90 CYS CA C 90 54.158 54.158 60.747 -6.589 25830 9407 1 18 . 1 1 90 90 CYS CB C 90 36.687 36.687 26.583 10.104 25830 9408 1 18 . 1 1 90 90 CYS H H 90 8.790 8.790 8.340 0.450 25830 9409 1 18 . 1 1 91 91 ASN N N 91 115.199 115.199 115.897 -0.698 25830 9410 1 18 . 1 1 91 91 ASN HA H 91 4.578 4.578 4.525 0.053 25830 9411 1 18 . 1 1 91 91 ASN C C 91 173.584 173.584 176.660 -3.076 25830 9412 1 18 . 1 1 91 91 ASN CA C 91 52.264 52.264 55.695 -3.431 25830 9413 1 18 . 1 1 91 91 ASN CB C 91 35.690 35.690 38.350 -2.660 25830 9414 1 18 . 1 1 91 91 ASN H H 91 8.320 8.320 8.538 -0.218 25830 9415 1 18 . 1 1 92 92 THR N N 92 107.497 107.497 109.845 -2.348 25830 9416 1 18 . 1 1 92 92 THR HA H 92 4.388 4.388 4.246 0.142 25830 9417 1 18 . 1 1 92 92 THR C C 92 171.702 171.702 175.180 -3.478 25830 9418 1 18 . 1 1 92 92 THR CA C 92 58.280 58.280 62.815 -4.535 25830 9419 1 18 . 1 1 92 92 THR CB C 92 66.107 66.107 69.789 -3.682 25830 9420 1 18 . 1 1 92 92 THR H H 92 7.338 7.338 7.648 -0.310 25830 9421 1 18 . 1 1 93 93 VAL N N 93 123.151 123.151 121.828 1.323 25830 9422 1 18 . 1 1 93 93 VAL HA H 93 3.667 3.667 3.885 -0.218 25830 9423 1 18 . 1 1 93 93 VAL C C 93 172.207 172.207 175.681 -3.474 25830 9424 1 18 . 1 1 93 93 VAL CA C 93 59.846 59.846 61.656 -1.810 25830 9425 1 18 . 1 1 93 93 VAL CB C 93 29.999 29.999 32.417 -2.418 25830 9426 1 18 . 1 1 93 93 VAL H H 93 6.806 6.806 6.964 -0.158 25830 9427 1 18 . 1 1 94 94 ARG N N 94 127.129 127.129 122.406 4.723 25830 9428 1 18 . 1 1 94 94 ARG HA H 94 4.339 4.339 3.826 0.513 25830 9429 1 18 . 1 1 94 94 ARG C C 94 171.859 171.859 176.083 -4.224 25830 9430 1 18 . 1 1 94 94 ARG CA C 94 52.395 52.395 55.884 -3.489 25830 9431 1 18 . 1 1 94 94 ARG CB C 94 26.973 26.973 30.677 -3.704 25830 9432 1 18 . 1 1 94 94 ARG H H 94 8.201 8.201 8.125 0.076 25830 9433 1 19 . 1 1 2 2 LEU N N 2 123.438 123.438 121.455 1.983 25830 9434 1 19 . 1 1 2 2 LEU HA H 2 4.344 4.344 4.654 -0.309 25830 9435 1 19 . 1 1 2 2 LEU C C 2 172.388 172.388 176.207 -3.819 25830 9436 1 19 . 1 1 2 2 LEU CA C 2 52.560 52.560 55.059 -2.499 25830 9437 1 19 . 1 1 2 2 LEU CB C 2 40.603 40.603 42.413 -1.810 25830 9438 1 19 . 1 1 2 2 LEU H H 2 8.368 8.368 8.531 -0.163 25830 9439 1 19 . 1 1 3 3 SER N N 3 119.868 119.868 119.414 0.454 25830 9440 1 19 . 1 1 3 3 SER HA H 3 4.748 4.748 4.652 0.096 25830 9441 1 19 . 1 1 3 3 SER C C 3 173.163 173.163 175.799 -2.636 25830 9442 1 19 . 1 1 3 3 SER CA C 3 53.523 53.523 57.135 -3.612 25830 9443 1 19 . 1 1 3 3 SER CB C 3 62.412 62.412 65.178 -2.766 25830 9444 1 19 . 1 1 3 3 SER H H 3 8.550 8.550 8.217 0.333 25830 9445 1 19 . 1 1 4 4 CYS N N 4 120.408 120.408 126.294 -5.886 25830 9446 1 19 . 1 1 4 4 CYS HA H 4 4.586 4.586 4.226 0.360 25830 9447 1 19 . 1 1 4 4 CYS C C 4 175.067 175.067 177.025 -1.958 25830 9448 1 19 . 1 1 4 4 CYS CA C 4 52.166 52.166 61.227 -9.061 25830 9449 1 19 . 1 1 4 4 CYS CB C 4 30.372 30.372 26.737 3.635 25830 9450 1 19 . 1 1 4 4 CYS H H 4 9.222 9.222 9.097 0.125 25830 9451 1 19 . 1 1 5 5 GLY N N 5 110.663 110.663 106.852 3.811 25830 9452 1 19 . 1 1 5 5 GLY C C 5 174.023 174.023 175.617 -1.594 25830 9453 1 19 . 1 1 5 5 GLY CA C 5 44.577 44.577 47.425 -2.848 25830 9454 1 19 . 1 1 5 5 GLY H H 5 8.721 8.721 8.159 0.562 25830 9455 1 19 . 1 1 6 6 THR N N 6 118.884 118.884 117.584 1.300 25830 9456 1 19 . 1 1 6 6 THR HA H 6 4.031 4.031 4.299 -0.268 25830 9457 1 19 . 1 1 6 6 THR C C 6 172.782 172.782 175.775 -2.993 25830 9458 1 19 . 1 1 6 6 THR CA C 6 62.801 62.801 64.919 -2.118 25830 9459 1 19 . 1 1 6 6 THR CB C 6 65.896 65.896 69.436 -3.540 25830 9460 1 19 . 1 1 6 6 THR H H 6 7.676 7.676 7.828 -0.152 25830 9461 1 19 . 1 1 7 7 VAL N N 7 120.789 120.789 121.920 -1.131 25830 9462 1 19 . 1 1 7 7 VAL HA H 7 3.607 3.607 3.655 -0.048 25830 9463 1 19 . 1 1 7 7 VAL C C 7 174.356 174.356 178.056 -3.700 25830 9464 1 19 . 1 1 7 7 VAL CA C 7 63.774 63.774 65.675 -1.901 25830 9465 1 19 . 1 1 7 7 VAL CB C 7 28.610 28.610 31.014 -2.404 25830 9466 1 19 . 1 1 7 7 VAL H H 7 7.280 7.280 7.614 -0.334 25830 9467 1 19 . 1 1 8 8 SER N N 8 114.047 114.047 116.472 -2.425 25830 9468 1 19 . 1 1 8 8 SER HA H 8 3.858 3.858 4.117 -0.259 25830 9469 1 19 . 1 1 8 8 SER C C 8 173.948 173.948 176.188 -2.240 25830 9470 1 19 . 1 1 8 8 SER CA C 8 59.791 59.791 62.036 -2.245 25830 9471 1 19 . 1 1 8 8 SER CB C 8 59.242 59.242 62.718 -3.476 25830 9472 1 19 . 1 1 8 8 SER H H 8 8.501 8.501 8.022 0.479 25830 9473 1 19 . 1 1 9 9 ALA N N 9 123.669 123.669 123.305 0.364 25830 9474 1 19 . 1 1 9 9 ALA HA H 9 4.165 4.165 4.154 0.011 25830 9475 1 19 . 1 1 9 9 ALA C C 9 177.740 177.740 179.051 -1.311 25830 9476 1 19 . 1 1 9 9 ALA CA C 9 52.218 52.218 54.524 -2.306 25830 9477 1 19 . 1 1 9 9 ALA CB C 9 15.348 15.348 18.420 -3.072 25830 9478 1 19 . 1 1 9 9 ALA H H 9 7.685 7.685 7.603 0.082 25830 9479 1 19 . 1 1 10 10 ASP N N 10 118.653 118.653 117.623 1.030 25830 9480 1 19 . 1 1 10 10 ASP HA H 10 4.414 4.414 4.530 -0.116 25830 9481 1 19 . 1 1 10 10 ASP C C 10 173.327 173.327 177.329 -4.002 25830 9482 1 19 . 1 1 10 10 ASP CA C 10 53.357 53.357 56.195 -2.838 25830 9483 1 19 . 1 1 10 10 ASP CB C 10 35.579 35.579 41.358 -5.779 25830 9484 1 19 . 1 1 10 10 ASP H H 10 8.161 8.161 7.952 0.209 25830 9485 1 19 . 1 1 11 11 LEU N N 11 115.104 115.104 119.712 -4.608 25830 9486 1 19 . 1 1 11 11 LEU HA H 11 4.183 4.183 4.229 -0.046 25830 9487 1 19 . 1 1 11 11 LEU C C 11 175.206 175.206 177.893 -2.687 25830 9488 1 19 . 1 1 11 11 LEU CA C 11 51.360 51.360 55.901 -4.541 25830 9489 1 19 . 1 1 11 11 LEU CB C 11 40.185 40.185 41.763 -1.578 25830 9490 1 19 . 1 1 11 11 LEU H H 11 7.731 7.731 7.433 0.298 25830 9491 1 19 . 1 1 12 12 ALA N N 12 124.133 124.133 123.194 0.939 25830 9492 1 19 . 1 1 12 12 ALA HA H 12 4.309 4.309 4.128 0.181 25830 9493 1 19 . 1 1 12 12 ALA C C 12 174.540 174.540 176.948 -2.408 25830 9494 1 19 . 1 1 12 12 ALA CA C 12 54.075 54.075 56.660 -2.585 25830 9495 1 19 . 1 1 12 12 ALA CB C 12 13.256 13.256 16.414 -3.158 25830 9496 1 19 . 1 1 12 12 ALA H H 12 7.481 7.481 7.795 -0.314 25830 9497 1 19 . 1 1 13 13 PRO HA H 13 4.674 4.674 4.478 0.196 25830 9498 1 19 . 1 1 13 13 PRO C C 13 174.824 174.824 176.653 -1.829 25830 9499 1 19 . 1 1 13 13 PRO CA C 13 61.982 61.982 64.532 -2.550 25830 9500 1 19 . 1 1 13 13 PRO CB C 13 28.804 28.804 31.251 -2.447 25830 9501 1 19 . 1 1 14 14 CYS N N 14 114.225 114.225 116.809 -2.584 25830 9502 1 19 . 1 1 14 14 CYS HA H 14 4.722 4.722 4.725 -0.003 25830 9503 1 19 . 1 1 14 14 CYS C C 14 172.376 172.376 176.764 -4.388 25830 9504 1 19 . 1 1 14 14 CYS CA C 14 51.481 51.481 59.964 -8.483 25830 9505 1 19 . 1 1 14 14 CYS CB C 14 39.508 39.508 27.342 12.166 25830 9506 1 19 . 1 1 14 14 CYS H H 14 8.938 8.938 7.678 1.260 25830 9507 1 19 . 1 1 15 15 VAL N N 15 122.488 122.488 122.454 0.034 25830 9508 1 19 . 1 1 15 15 VAL HA H 15 3.350 3.350 3.520 -0.170 25830 9509 1 19 . 1 1 15 15 VAL C C 15 173.644 173.644 177.403 -3.759 25830 9510 1 19 . 1 1 15 15 VAL CA C 15 66.608 66.608 67.715 -1.107 25830 9511 1 19 . 1 1 15 15 VAL CB C 15 28.692 28.692 31.746 -3.054 25830 9512 1 19 . 1 1 15 15 VAL H H 15 7.767 7.767 8.093 -0.326 25830 9513 1 19 . 1 1 16 16 THR N N 16 112.169 112.169 113.828 -1.659 25830 9514 1 19 . 1 1 16 16 THR HA H 16 4.012 4.012 3.947 0.065 25830 9515 1 19 . 1 1 16 16 THR C C 16 175.021 175.021 176.007 -0.986 25830 9516 1 19 . 1 1 16 16 THR CA C 16 63.879 63.879 66.051 -2.172 25830 9517 1 19 . 1 1 16 16 THR CB C 16 65.364 65.364 68.875 -3.511 25830 9518 1 19 . 1 1 16 16 THR H H 16 8.258 8.258 8.168 0.090 25830 9519 1 19 . 1 1 17 17 TYR N N 17 124.563 124.563 121.102 3.461 25830 9520 1 19 . 1 1 17 17 TYR HA H 17 4.265 4.265 4.295 -0.030 25830 9521 1 19 . 1 1 17 17 TYR C C 17 174.326 174.326 177.582 -3.256 25830 9522 1 19 . 1 1 17 17 TYR CA C 17 58.001 58.001 60.462 -2.461 25830 9523 1 19 . 1 1 17 17 TYR CB C 17 35.252 35.252 38.263 -3.011 25830 9524 1 19 . 1 1 17 17 TYR H H 17 8.280 8.280 8.039 0.241 25830 9525 1 19 . 1 1 18 18 LEU N N 18 119.213 119.213 118.165 1.048 25830 9526 1 19 . 1 1 18 18 LEU HA H 18 3.630 3.630 3.612 0.018 25830 9527 1 19 . 1 1 18 18 LEU C C 18 172.858 172.858 178.316 -5.458 25830 9528 1 19 . 1 1 18 18 LEU CA C 18 54.171 54.171 56.548 -2.377 25830 9529 1 19 . 1 1 18 18 LEU CB C 18 38.310 38.310 41.240 -2.930 25830 9530 1 19 . 1 1 18 18 LEU H H 18 8.394 8.394 8.133 0.261 25830 9531 1 19 . 1 1 19 19 GLN N N 19 114.782 114.782 115.617 -0.835 25830 9532 1 19 . 1 1 19 19 GLN HA H 19 4.582 4.582 4.228 0.354 25830 9533 1 19 . 1 1 19 19 GLN C C 19 172.754 172.754 176.049 -3.295 25830 9534 1 19 . 1 1 19 19 GLN CA C 19 52.320 52.320 56.150 -3.830 25830 9535 1 19 . 1 1 19 19 GLN CB C 19 27.954 27.954 29.866 -1.912 25830 9536 1 19 . 1 1 19 19 GLN H H 19 7.319 7.319 7.582 -0.263 25830 9537 1 19 . 1 1 20 20 ALA N N 20 126.473 126.473 123.177 3.296 25830 9538 1 19 . 1 1 20 20 ALA HA H 20 4.494 4.494 4.608 -0.114 25830 9539 1 19 . 1 1 20 20 ALA C C 20 171.072 171.072 175.045 -3.973 25830 9540 1 19 . 1 1 20 20 ALA CA C 20 48.862 48.862 49.981 -1.119 25830 9541 1 19 . 1 1 20 20 ALA CB C 20 15.610 15.610 18.695 -3.084 25830 9542 1 19 . 1 1 20 20 ALA H H 20 7.292 7.292 7.292 0.000 25830 9543 1 19 . 1 1 21 21 PRO HA H 21 4.440 4.440 4.429 0.011 25830 9544 1 19 . 1 1 21 21 PRO C C 21 174.052 174.052 177.562 -3.510 25830 9545 1 19 . 1 1 21 21 PRO CA C 21 59.522 59.522 61.946 -2.424 25830 9546 1 19 . 1 1 21 21 PRO CB C 21 29.853 29.853 32.333 -2.480 25830 9547 1 19 . 1 1 22 22 ASN N N 22 117.448 117.448 116.513 0.935 25830 9548 1 19 . 1 1 22 22 ASN HA H 22 4.754 4.754 4.395 0.359 25830 9549 1 19 . 1 1 22 22 ASN C C 22 173.299 173.299 175.985 -2.686 25830 9550 1 19 . 1 1 22 22 ASN CA C 22 51.478 51.478 55.243 -3.765 25830 9551 1 19 . 1 1 22 22 ASN CB C 22 35.291 35.291 37.804 -2.513 25830 9552 1 19 . 1 1 22 22 ASN H H 22 8.466 8.466 8.664 -0.198 25830 9553 1 19 . 1 1 23 23 ASN N N 23 113.171 113.171 117.051 -3.880 25830 9554 1 19 . 1 1 23 23 ASN HA H 23 4.555 4.555 4.652 -0.097 25830 9555 1 19 . 1 1 23 23 ASN C C 23 172.210 172.210 175.210 -3.000 25830 9556 1 19 . 1 1 23 23 ASN CA C 23 50.626 50.626 53.051 -2.425 25830 9557 1 19 . 1 1 23 23 ASN CB C 23 34.278 34.278 38.508 -4.230 25830 9558 1 19 . 1 1 23 23 ASN H H 23 8.187 8.187 8.123 0.064 25830 9559 1 19 . 1 1 24 24 ALA N N 24 122.578 122.578 122.240 0.338 25830 9560 1 19 . 1 1 24 24 ALA HA H 24 4.394 4.394 4.491 -0.097 25830 9561 1 19 . 1 1 24 24 ALA C C 24 173.708 173.708 176.514 -2.806 25830 9562 1 19 . 1 1 24 24 ALA CA C 24 49.696 49.696 52.418 -2.722 25830 9563 1 19 . 1 1 24 24 ALA CB C 24 18.288 18.288 20.338 -2.050 25830 9564 1 19 . 1 1 24 24 ALA H H 24 7.381 7.381 7.783 -0.402 25830 9565 1 19 . 1 1 25 25 SER N N 25 115.237 115.237 115.121 0.116 25830 9566 1 19 . 1 1 25 25 SER HA H 25 4.922 4.922 4.646 0.276 25830 9567 1 19 . 1 1 25 25 SER C C 25 181.107 181.107 171.587 9.520 25830 9568 1 19 . 1 1 25 25 SER CA C 25 53.033 53.033 55.569 -2.537 25830 9569 1 19 . 1 1 25 25 SER CB C 25 61.549 61.549 64.869 -3.320 25830 9570 1 19 . 1 1 25 25 SER H H 25 8.649 8.649 8.327 0.322 25830 9571 1 19 . 1 1 26 26 PRO HA H 26 4.014 4.014 4.153 -0.139 25830 9572 1 19 . 1 1 26 26 PRO CA C 26 57.292 57.292 61.063 -3.772 25830 9573 1 19 . 1 1 26 26 PRO CB C 26 27.450 27.450 30.712 -3.262 25830 9574 1 19 . 1 1 27 27 PRO HA H 27 4.881 4.881 4.547 0.334 25830 9575 1 19 . 1 1 27 27 PRO CA C 27 58.500 58.500 61.284 -2.784 25830 9576 1 19 . 1 1 27 27 PRO CB C 27 28.489 28.489 30.790 -2.301 25830 9577 1 19 . 1 1 28 28 PRO HA H 28 4.421 4.421 4.196 0.225 25830 9578 1 19 . 1 1 28 28 PRO CA C 28 64.505 64.505 67.073 -2.568 25830 9579 1 19 . 1 1 28 28 PRO CB C 28 26.217 26.217 29.279 -3.062 25830 9580 1 19 . 1 1 29 29 PRO HA H 29 4.477 4.477 4.305 0.172 25830 9581 1 19 . 1 1 29 29 PRO C C 29 177.330 177.330 178.914 -1.584 25830 9582 1 19 . 1 1 29 29 PRO CA C 29 62.883 62.883 65.600 -2.717 25830 9583 1 19 . 1 1 29 29 PRO CB C 29 28.301 28.301 31.003 -2.702 25830 9584 1 19 . 1 1 30 30 CYS N N 30 114.694 114.694 117.952 -3.258 25830 9585 1 19 . 1 1 30 30 CYS HA H 30 4.456 4.456 4.308 0.148 25830 9586 1 19 . 1 1 30 30 CYS C C 30 172.260 172.260 177.113 -4.853 25830 9587 1 19 . 1 1 30 30 CYS CA C 30 55.585 55.585 61.213 -5.628 25830 9588 1 19 . 1 1 30 30 CYS CB C 30 34.602 34.602 25.674 8.928 25830 9589 1 19 . 1 1 30 30 CYS H H 30 7.637 7.637 7.690 -0.053 25830 9590 1 19 . 1 1 31 31 CYS N N 31 116.335 116.335 120.382 -4.047 25830 9591 1 19 . 1 1 31 31 CYS HA H 31 4.607 4.607 4.110 0.497 25830 9592 1 19 . 1 1 31 31 CYS C C 31 174.401 174.401 177.258 -2.857 25830 9593 1 19 . 1 1 31 31 CYS CA C 31 51.858 51.858 63.094 -11.236 25830 9594 1 19 . 1 1 31 31 CYS CB C 31 29.979 29.979 25.817 4.162 25830 9595 1 19 . 1 1 31 31 CYS H H 31 7.083 7.083 8.328 -1.245 25830 9596 1 19 . 1 1 32 32 ALA N N 32 121.738 121.738 121.209 0.529 25830 9597 1 19 . 1 1 32 32 ALA HA H 32 4.070 4.070 3.978 0.092 25830 9598 1 19 . 1 1 32 32 ALA C C 32 177.730 177.730 179.355 -1.625 25830 9599 1 19 . 1 1 32 32 ALA CA C 32 52.557 52.557 55.151 -2.594 25830 9600 1 19 . 1 1 32 32 ALA CB C 32 15.204 15.204 18.024 -2.820 25830 9601 1 19 . 1 1 32 32 ALA H H 32 8.481 8.481 8.223 0.258 25830 9602 1 19 . 1 1 33 33 GLY N N 33 108.715 108.715 107.034 1.681 25830 9603 1 19 . 1 1 33 33 GLY C C 33 172.825 172.825 176.156 -3.331 25830 9604 1 19 . 1 1 33 33 GLY CA C 33 44.748 44.748 47.237 -2.489 25830 9605 1 19 . 1 1 33 33 GLY H H 33 7.683 7.683 7.736 -0.053 25830 9606 1 19 . 1 1 34 34 VAL N N 34 121.079 121.079 121.289 -0.210 25830 9607 1 19 . 1 1 34 34 VAL HA H 34 3.489 3.489 3.641 -0.152 25830 9608 1 19 . 1 1 34 34 VAL C C 34 174.764 174.764 178.538 -3.774 25830 9609 1 19 . 1 1 34 34 VAL CA C 34 63.930 63.930 66.323 -2.393 25830 9610 1 19 . 1 1 34 34 VAL CB C 34 29.037 29.037 31.620 -2.583 25830 9611 1 19 . 1 1 34 34 VAL H H 34 8.085 8.085 7.605 0.480 25830 9612 1 19 . 1 1 35 35 LYS N N 35 117.845 117.845 119.024 -1.179 25830 9613 1 19 . 1 1 35 35 LYS HA H 35 3.814 3.814 4.027 -0.213 25830 9614 1 19 . 1 1 35 35 LYS C C 35 176.677 176.677 178.902 -2.225 25830 9615 1 19 . 1 1 35 35 LYS CA C 35 57.849 57.849 59.266 -1.417 25830 9616 1 19 . 1 1 35 35 LYS CB C 35 29.635 29.635 31.799 -2.164 25830 9617 1 19 . 1 1 35 35 LYS H H 35 8.089 8.089 7.564 0.525 25830 9618 1 19 . 1 1 36 36 LYS N N 36 120.507 120.507 120.307 0.200 25830 9619 1 19 . 1 1 36 36 LYS HA H 36 3.946 3.946 4.054 -0.108 25830 9620 1 19 . 1 1 36 36 LYS C C 36 176.481 176.481 178.325 -1.844 25830 9621 1 19 . 1 1 36 36 LYS CA C 36 56.889 56.889 58.680 -1.791 25830 9622 1 19 . 1 1 36 36 LYS CB C 36 29.999 29.999 32.134 -2.135 25830 9623 1 19 . 1 1 36 36 LYS H H 36 7.940 7.940 7.890 0.050 25830 9624 1 19 . 1 1 37 37 LEU N N 37 121.929 121.929 120.288 1.641 25830 9625 1 19 . 1 1 37 37 LEU HA H 37 4.012 4.012 3.960 0.052 25830 9626 1 19 . 1 1 37 37 LEU C C 37 175.490 175.490 178.950 -3.460 25830 9627 1 19 . 1 1 37 37 LEU CA C 37 55.567 55.567 57.933 -2.366 25830 9628 1 19 . 1 1 37 37 LEU CB C 37 38.621 38.621 41.386 -2.764 25830 9629 1 19 . 1 1 37 37 LEU H H 37 7.882 7.882 7.442 0.440 25830 9630 1 19 . 1 1 38 38 LEU N N 38 117.061 117.061 119.287 -2.226 25830 9631 1 19 . 1 1 38 38 LEU HA H 38 4.050 4.050 3.904 0.146 25830 9632 1 19 . 1 1 38 38 LEU C C 38 177.275 177.275 178.062 -0.787 25830 9633 1 19 . 1 1 38 38 LEU CA C 38 54.535 54.535 58.210 -3.675 25830 9634 1 19 . 1 1 38 38 LEU CB C 38 38.448 38.448 41.309 -2.861 25830 9635 1 19 . 1 1 38 38 LEU H H 38 7.812 7.812 7.911 -0.099 25830 9636 1 19 . 1 1 39 39 ALA N N 39 119.986 119.986 118.562 1.424 25830 9637 1 19 . 1 1 39 39 ALA HA H 39 4.105 4.105 4.232 -0.127 25830 9638 1 19 . 1 1 39 39 ALA C C 39 175.721 175.721 178.544 -2.823 25830 9639 1 19 . 1 1 39 39 ALA CA C 39 50.910 50.910 52.973 -2.063 25830 9640 1 19 . 1 1 39 39 ALA CB C 39 15.545 15.545 19.051 -3.506 25830 9641 1 19 . 1 1 39 39 ALA H H 39 7.914 7.914 7.526 0.388 25830 9642 1 19 . 1 1 40 40 ALA N N 40 118.015 118.015 122.491 -4.476 25830 9643 1 19 . 1 1 40 40 ALA HA H 40 4.266 4.266 4.220 0.046 25830 9644 1 19 . 1 1 40 40 ALA C C 40 174.416 174.416 177.741 -3.325 25830 9645 1 19 . 1 1 40 40 ALA CA C 40 49.886 49.886 53.727 -3.841 25830 9646 1 19 . 1 1 40 40 ALA CB C 40 16.330 16.330 19.558 -3.228 25830 9647 1 19 . 1 1 40 40 ALA H H 40 7.302 7.302 7.787 -0.485 25830 9648 1 19 . 1 1 41 41 ALA N N 41 122.389 122.389 118.783 3.606 25830 9649 1 19 . 1 1 41 41 ALA HA H 41 4.605 4.605 4.229 0.376 25830 9650 1 19 . 1 1 41 41 ALA C C 41 172.709 172.709 177.153 -4.444 25830 9651 1 19 . 1 1 41 41 ALA CA C 41 47.917 47.917 52.470 -4.553 25830 9652 1 19 . 1 1 41 41 ALA CB C 41 15.072 15.072 20.006 -4.934 25830 9653 1 19 . 1 1 41 41 ALA H H 41 7.304 7.304 7.855 -0.551 25830 9654 1 19 . 1 1 42 42 THR N N 42 113.142 113.142 116.422 -3.280 25830 9655 1 19 . 1 1 42 42 THR HA H 42 4.422 4.422 4.409 0.013 25830 9656 1 19 . 1 1 42 42 THR C C 42 172.086 172.086 175.483 -3.397 25830 9657 1 19 . 1 1 42 42 THR CA C 42 59.772 59.772 62.938 -3.167 25830 9658 1 19 . 1 1 42 42 THR CB C 42 66.992 66.992 69.539 -2.547 25830 9659 1 19 . 1 1 42 42 THR H H 42 8.663 8.663 8.647 0.016 25830 9660 1 19 . 1 1 43 43 THR N N 43 111.501 111.501 112.977 -1.476 25830 9661 1 19 . 1 1 43 43 THR HA H 43 4.704 4.704 4.463 0.241 25830 9662 1 19 . 1 1 43 43 THR C C 43 172.283 172.283 175.190 -2.907 25830 9663 1 19 . 1 1 43 43 THR CA C 43 56.869 56.869 60.595 -3.726 25830 9664 1 19 . 1 1 43 43 THR CB C 43 69.211 69.211 70.910 -1.699 25830 9665 1 19 . 1 1 43 43 THR H H 43 7.705 7.705 7.612 0.093 25830 9666 1 19 . 1 1 44 44 THR N N 44 119.157 119.157 115.489 3.668 25830 9667 1 19 . 1 1 44 44 THR HA H 44 3.861 3.861 4.310 -0.449 25830 9668 1 19 . 1 1 44 44 THR CA C 44 66.420 66.420 67.673 -1.253 25830 9669 1 19 . 1 1 44 44 THR CB C 44 63.702 63.702 67.028 -3.326 25830 9670 1 19 . 1 1 44 44 THR H H 44 9.305 9.305 8.421 0.884 25830 9671 1 19 . 1 1 45 45 PRO HA H 45 4.345 4.345 4.430 -0.085 25830 9672 1 19 . 1 1 45 45 PRO C C 45 177.238 177.238 178.320 -1.082 25830 9673 1 19 . 1 1 45 45 PRO CA C 45 63.192 63.192 65.005 -1.813 25830 9674 1 19 . 1 1 45 45 PRO CB C 45 28.232 28.232 31.199 -2.967 25830 9675 1 19 . 1 1 46 46 ASP N N 46 117.412 117.412 120.153 -2.741 25830 9676 1 19 . 1 1 46 46 ASP HA H 46 4.571 4.571 4.419 0.152 25830 9677 1 19 . 1 1 46 46 ASP C C 46 175.358 175.358 177.489 -2.131 25830 9678 1 19 . 1 1 46 46 ASP CA C 46 54.436 54.436 56.753 -2.317 25830 9679 1 19 . 1 1 46 46 ASP CB C 46 37.884 37.884 40.389 -2.505 25830 9680 1 19 . 1 1 46 46 ASP H H 46 7.238 7.238 8.077 -0.839 25830 9681 1 19 . 1 1 47 47 ARG N N 47 122.342 122.342 118.467 3.875 25830 9682 1 19 . 1 1 47 47 ARG HA H 47 3.754 3.754 3.994 -0.240 25830 9683 1 19 . 1 1 47 47 ARG C C 47 176.688 176.688 178.207 -1.519 25830 9684 1 19 . 1 1 47 47 ARG CA C 47 57.351 57.351 59.032 -1.681 25830 9685 1 19 . 1 1 47 47 ARG CB C 47 26.606 26.606 29.639 -3.033 25830 9686 1 19 . 1 1 47 47 ARG H H 47 8.383 8.383 7.543 0.840 25830 9687 1 19 . 1 1 48 48 GLN N N 48 120.813 120.813 119.338 1.475 25830 9688 1 19 . 1 1 48 48 GLN HA H 48 3.650 3.650 4.155 -0.505 25830 9689 1 19 . 1 1 48 48 GLN C C 48 175.354 175.354 177.933 -2.579 25830 9690 1 19 . 1 1 48 48 GLN CA C 48 56.742 56.742 58.431 -1.689 25830 9691 1 19 . 1 1 48 48 GLN CB C 48 25.406 25.406 28.545 -3.139 25830 9692 1 19 . 1 1 48 48 GLN H H 48 8.176 8.176 7.730 0.446 25830 9693 1 19 . 1 1 49 49 ALA N N 49 122.476 122.476 121.378 1.098 25830 9694 1 19 . 1 1 49 49 ALA HA H 49 4.224 4.224 3.984 0.240 25830 9695 1 19 . 1 1 49 49 ALA C C 49 177.581 177.581 179.091 -1.510 25830 9696 1 19 . 1 1 49 49 ALA CA C 49 52.410 52.410 54.803 -2.393 25830 9697 1 19 . 1 1 49 49 ALA CB C 49 15.305 15.305 18.023 -2.718 25830 9698 1 19 . 1 1 49 49 ALA H H 49 8.079 8.079 7.631 0.448 25830 9699 1 19 . 1 1 50 50 ALA N N 50 121.104 121.104 119.835 1.269 25830 9700 1 19 . 1 1 50 50 ALA HA H 50 3.686 3.686 4.024 -0.338 25830 9701 1 19 . 1 1 50 50 ALA C C 50 175.478 175.478 178.644 -3.166 25830 9702 1 19 . 1 1 50 50 ALA CA C 50 53.344 53.344 55.060 -1.716 25830 9703 1 19 . 1 1 50 50 ALA CB C 50 14.032 14.032 18.118 -4.086 25830 9704 1 19 . 1 1 50 50 ALA H H 50 8.494 8.494 7.578 0.916 25830 9705 1 19 . 1 1 51 51 CYS N N 51 117.063 117.063 116.146 0.917 25830 9706 1 19 . 1 1 51 51 CYS HA H 51 4.091 4.091 4.379 -0.288 25830 9707 1 19 . 1 1 51 51 CYS C C 51 173.692 173.692 176.269 -2.577 25830 9708 1 19 . 1 1 51 51 CYS CA C 51 57.660 57.660 60.983 -3.323 25830 9709 1 19 . 1 1 51 51 CYS CB C 51 34.278 34.278 25.699 8.579 25830 9710 1 19 . 1 1 51 51 CYS H H 51 7.466 7.466 8.656 -1.190 25830 9711 1 19 . 1 1 52 52 ASN N N 52 120.867 120.867 117.850 3.017 25830 9712 1 19 . 1 1 52 52 ASN HA H 52 4.403 4.403 4.742 -0.339 25830 9713 1 19 . 1 1 52 52 ASN C C 52 176.290 176.290 177.116 -0.826 25830 9714 1 19 . 1 1 52 52 ASN CA C 52 54.177 54.177 55.725 -1.548 25830 9715 1 19 . 1 1 52 52 ASN CB C 52 36.302 36.302 38.632 -2.329 25830 9716 1 19 . 1 1 52 52 ASN H H 52 8.164 8.164 7.686 0.478 25830 9717 1 19 . 1 1 53 53 CYS N N 53 119.542 119.542 119.515 0.027 25830 9718 1 19 . 1 1 53 53 CYS HA H 53 4.543 4.543 4.211 0.332 25830 9719 1 19 . 1 1 53 53 CYS C C 53 175.294 175.294 176.930 -1.636 25830 9720 1 19 . 1 1 53 53 CYS CA C 53 53.637 53.637 62.827 -9.190 25830 9721 1 19 . 1 1 53 53 CYS CB C 53 34.302 34.302 26.201 8.101 25830 9722 1 19 . 1 1 53 53 CYS H H 53 8.974 8.974 7.764 1.210 25830 9723 1 19 . 1 1 54 54 LEU N N 54 124.510 124.510 118.979 5.531 25830 9724 1 19 . 1 1 54 54 LEU HA H 54 3.964 3.964 3.984 -0.020 25830 9725 1 19 . 1 1 54 54 LEU C C 54 175.082 175.082 178.559 -3.477 25830 9726 1 19 . 1 1 54 54 LEU CA C 54 55.725 55.725 58.059 -2.334 25830 9727 1 19 . 1 1 54 54 LEU CB C 54 39.035 39.035 41.416 -2.381 25830 9728 1 19 . 1 1 54 54 LEU H H 54 8.794 8.794 7.842 0.952 25830 9729 1 19 . 1 1 55 55 LYS N N 55 120.615 120.615 117.096 3.519 25830 9730 1 19 . 1 1 55 55 LYS HA H 55 3.929 3.929 3.989 -0.060 25830 9731 1 19 . 1 1 55 55 LYS C C 55 176.860 176.860 177.804 -0.944 25830 9732 1 19 . 1 1 55 55 LYS CA C 55 57.089 57.089 58.934 -1.845 25830 9733 1 19 . 1 1 55 55 LYS CB C 55 30.420 30.420 32.433 -2.013 25830 9734 1 19 . 1 1 55 55 LYS H H 55 8.119 8.119 7.412 0.707 25830 9735 1 19 . 1 1 56 56 SER N N 56 113.653 113.653 115.161 -1.508 25830 9736 1 19 . 1 1 56 56 SER HA H 56 4.202 4.202 4.337 -0.135 25830 9737 1 19 . 1 1 56 56 SER C C 56 175.009 175.009 176.628 -1.619 25830 9738 1 19 . 1 1 56 56 SER CA C 56 58.397 58.397 61.018 -2.621 25830 9739 1 19 . 1 1 56 56 SER CB C 56 60.063 60.063 63.566 -3.503 25830 9740 1 19 . 1 1 56 56 SER H H 56 7.746 7.746 7.555 0.191 25830 9741 1 19 . 1 1 57 57 ALA N N 57 125.184 125.184 123.833 1.351 25830 9742 1 19 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.197 -0.124 25830 9743 1 19 . 1 1 57 57 ALA C C 57 177.735 177.735 179.170 -1.435 25830 9744 1 19 . 1 1 57 57 ALA CA C 57 52.222 52.222 54.132 -1.910 25830 9745 1 19 . 1 1 57 57 ALA CB C 57 14.710 14.710 18.269 -3.559 25830 9746 1 19 . 1 1 57 57 ALA H H 57 8.370 8.370 8.111 0.259 25830 9747 1 19 . 1 1 58 58 ALA N N 58 119.288 119.288 121.929 -2.641 25830 9748 1 19 . 1 1 58 58 ALA HA H 58 3.873 3.873 4.086 -0.213 25830 9749 1 19 . 1 1 58 58 ALA C C 58 176.201 176.201 179.733 -3.532 25830 9750 1 19 . 1 1 58 58 ALA CA C 58 52.154 52.154 54.524 -2.370 25830 9751 1 19 . 1 1 58 58 ALA CB C 58 13.944 13.944 18.308 -4.364 25830 9752 1 19 . 1 1 58 58 ALA H H 58 8.355 8.355 7.609 0.746 25830 9753 1 19 . 1 1 59 59 GLY N N 59 101.896 101.896 103.406 -1.510 25830 9754 1 19 . 1 1 59 59 GLY C C 59 171.619 171.619 175.326 -3.707 25830 9755 1 19 . 1 1 59 59 GLY CA C 59 43.245 43.245 44.967 -1.722 25830 9756 1 19 . 1 1 59 59 GLY H H 59 7.613 7.613 7.728 -0.115 25830 9757 1 19 . 1 1 60 60 SER N N 60 114.297 114.297 115.355 -1.058 25830 9758 1 19 . 1 1 60 60 SER HA H 60 4.548 4.548 4.551 -0.003 25830 9759 1 19 . 1 1 60 60 SER C C 60 171.232 171.232 174.000 -2.768 25830 9760 1 19 . 1 1 60 60 SER CA C 60 55.817 55.817 58.126 -2.309 25830 9761 1 19 . 1 1 60 60 SER CB C 60 61.793 61.793 64.026 -2.233 25830 9762 1 19 . 1 1 60 60 SER H H 60 7.570 7.570 7.999 -0.429 25830 9763 1 19 . 1 1 61 61 ILE N N 61 125.096 125.096 124.931 0.165 25830 9764 1 19 . 1 1 61 61 ILE HA H 61 4.272 4.272 4.412 -0.140 25830 9765 1 19 . 1 1 61 61 ILE C C 61 170.966 170.966 174.239 -3.273 25830 9766 1 19 . 1 1 61 61 ILE CA C 61 56.364 56.364 58.236 -1.872 25830 9767 1 19 . 1 1 61 61 ILE CB C 61 36.307 36.307 38.593 -2.286 25830 9768 1 19 . 1 1 61 61 ILE H H 61 7.222 7.222 7.430 -0.208 25830 9769 1 19 . 1 1 62 62 PRO HA H 62 4.317 4.317 4.481 -0.164 25830 9770 1 19 . 1 1 62 62 PRO C C 62 173.935 173.935 176.446 -2.511 25830 9771 1 19 . 1 1 62 62 PRO CA C 62 60.634 60.634 63.352 -2.718 25830 9772 1 19 . 1 1 62 62 PRO CB C 62 29.399 29.399 31.503 -2.104 25830 9773 1 19 . 1 1 63 63 LYS N N 63 115.837 115.837 118.083 -2.246 25830 9774 1 19 . 1 1 63 63 LYS HA H 63 3.916 3.916 3.837 0.079 25830 9775 1 19 . 1 1 63 63 LYS C C 63 172.800 172.800 176.361 -3.561 25830 9776 1 19 . 1 1 63 63 LYS CA C 63 53.303 53.303 56.264 -2.962 25830 9777 1 19 . 1 1 63 63 LYS CB C 63 26.973 26.973 29.547 -2.574 25830 9778 1 19 . 1 1 63 63 LYS H H 63 8.584 8.584 8.555 0.029 25830 9779 1 19 . 1 1 64 64 LEU N N 64 118.672 118.672 120.264 -1.592 25830 9780 1 19 . 1 1 64 64 LEU HA H 64 3.625 3.625 4.069 -0.444 25830 9781 1 19 . 1 1 64 64 LEU C C 64 173.690 173.690 176.518 -2.828 25830 9782 1 19 . 1 1 64 64 LEU CA C 64 53.929 53.929 55.661 -1.732 25830 9783 1 19 . 1 1 64 64 LEU CB C 64 39.878 39.878 42.123 -2.244 25830 9784 1 19 . 1 1 64 64 LEU H H 64 7.116 7.116 7.651 -0.535 25830 9785 1 19 . 1 1 65 65 ASN N N 65 125.562 125.562 125.728 -0.166 25830 9786 1 19 . 1 1 65 65 ASN HA H 65 4.879 4.879 4.942 -0.063 25830 9787 1 19 . 1 1 65 65 ASN C C 65 174.338 174.338 175.798 -1.460 25830 9788 1 19 . 1 1 65 65 ASN CA C 65 48.862 48.862 51.130 -2.268 25830 9789 1 19 . 1 1 65 65 ASN CB C 65 34.238 34.238 38.178 -3.940 25830 9790 1 19 . 1 1 65 65 ASN H H 65 9.348 9.348 8.359 0.989 25830 9791 1 19 . 1 1 66 66 THR N N 66 118.448 118.448 116.621 1.827 25830 9792 1 19 . 1 1 66 66 THR HA H 66 3.840 3.840 3.929 -0.089 25830 9793 1 19 . 1 1 66 66 THR C C 66 174.820 174.820 175.711 -0.891 25830 9794 1 19 . 1 1 66 66 THR CA C 66 62.576 62.576 65.358 -2.782 25830 9795 1 19 . 1 1 66 66 THR CB C 66 65.348 65.348 68.549 -3.201 25830 9796 1 19 . 1 1 66 66 THR H H 66 8.735 8.735 8.083 0.652 25830 9797 1 19 . 1 1 67 67 ASN N N 67 121.545 121.545 118.944 2.601 25830 9798 1 19 . 1 1 67 67 ASN HA H 67 4.460 4.460 4.412 0.048 25830 9799 1 19 . 1 1 67 67 ASN C C 67 174.825 174.825 177.401 -2.576 25830 9800 1 19 . 1 1 67 67 ASN CA C 67 53.781 53.781 56.067 -2.286 25830 9801 1 19 . 1 1 67 67 ASN CB C 67 35.495 35.495 38.123 -2.627 25830 9802 1 19 . 1 1 67 67 ASN H H 67 8.229 8.229 8.165 0.064 25830 9803 1 19 . 1 1 68 68 ASN N N 68 122.399 122.399 118.590 3.809 25830 9804 1 19 . 1 1 68 68 ASN HA H 68 4.463 4.463 4.488 -0.025 25830 9805 1 19 . 1 1 68 68 ASN C C 68 175.357 175.357 176.095 -0.738 25830 9806 1 19 . 1 1 68 68 ASN CA C 68 52.009 52.009 55.338 -3.329 25830 9807 1 19 . 1 1 68 68 ASN CB C 68 32.853 32.853 37.946 -5.093 25830 9808 1 19 . 1 1 68 68 ASN H H 68 7.153 7.153 8.355 -1.202 25830 9809 1 19 . 1 1 69 69 ALA N N 69 123.588 123.588 119.678 3.910 25830 9810 1 19 . 1 1 69 69 ALA HA H 69 3.930 3.930 4.130 -0.200 25830 9811 1 19 . 1 1 69 69 ALA C C 69 175.919 175.919 178.588 -2.669 25830 9812 1 19 . 1 1 69 69 ALA CA C 69 53.087 53.087 54.309 -1.222 25830 9813 1 19 . 1 1 69 69 ALA CB C 69 14.867 14.867 18.360 -3.493 25830 9814 1 19 . 1 1 69 69 ALA H H 69 7.942 7.942 7.323 0.619 25830 9815 1 19 . 1 1 70 70 ALA N N 70 117.736 117.736 120.113 -2.377 25830 9816 1 19 . 1 1 70 70 ALA HA H 70 4.250 4.250 4.147 0.103 25830 9817 1 19 . 1 1 70 70 ALA C C 70 176.704 176.704 178.515 -1.811 25830 9818 1 19 . 1 1 70 70 ALA CA C 70 51.706 51.706 54.367 -2.661 25830 9819 1 19 . 1 1 70 70 ALA CB C 70 15.507 15.507 19.159 -3.652 25830 9820 1 19 . 1 1 70 70 ALA H H 70 7.574 7.574 7.416 0.158 25830 9821 1 19 . 1 1 71 71 ALA N N 71 117.858 117.858 120.956 -3.098 25830 9822 1 19 . 1 1 71 71 ALA HA H 71 4.321 4.321 4.413 -0.092 25830 9823 1 19 . 1 1 71 71 ALA C C 71 175.190 175.190 179.202 -4.012 25830 9824 1 19 . 1 1 71 71 ALA CA C 71 50.142 50.142 53.766 -3.624 25830 9825 1 19 . 1 1 71 71 ALA CB C 71 16.908 16.908 18.402 -1.494 25830 9826 1 19 . 1 1 71 71 ALA H H 71 7.676 7.676 7.461 0.215 25830 9827 1 19 . 1 1 72 72 LEU N N 72 117.566 117.566 121.892 -4.326 25830 9828 1 19 . 1 1 72 72 LEU HA H 72 4.097 4.097 4.227 -0.130 25830 9829 1 19 . 1 1 72 72 LEU C C 72 170.406 170.406 175.523 -5.117 25830 9830 1 19 . 1 1 72 72 LEU CA C 72 57.688 57.688 59.623 -1.935 25830 9831 1 19 . 1 1 72 72 LEU CB C 72 36.632 36.632 39.517 -2.885 25830 9832 1 19 . 1 1 72 72 LEU H H 72 7.494 7.494 7.821 -0.327 25830 9833 1 19 . 1 1 73 73 PRO HA H 73 3.793 3.793 4.354 -0.561 25830 9834 1 19 . 1 1 73 73 PRO C C 73 176.416 176.416 179.146 -2.730 25830 9835 1 19 . 1 1 73 73 PRO CA C 73 64.431 64.431 65.512 -1.081 25830 9836 1 19 . 1 1 73 73 PRO CB C 73 27.928 27.928 30.959 -3.031 25830 9837 1 19 . 1 1 74 74 GLY N N 74 106.170 106.170 107.552 -1.382 25830 9838 1 19 . 1 1 74 74 GLY C C 74 176.081 176.081 176.517 -0.436 25830 9839 1 19 . 1 1 74 74 GLY CA C 74 44.577 44.577 47.102 -2.525 25830 9840 1 19 . 1 1 74 74 GLY H H 74 8.374 8.374 7.907 0.467 25830 9841 1 19 . 1 1 75 75 LYS N N 75 121.379 121.379 119.706 1.673 25830 9842 1 19 . 1 1 75 75 LYS HA H 75 4.162 4.162 4.145 0.017 25830 9843 1 19 . 1 1 75 75 LYS C C 75 175.735 175.735 178.316 -2.581 25830 9844 1 19 . 1 1 75 75 LYS CA C 75 56.053 56.053 58.163 -2.110 25830 9845 1 19 . 1 1 75 75 LYS CB C 75 30.087 30.087 32.097 -2.010 25830 9846 1 19 . 1 1 75 75 LYS H H 75 8.417 8.417 8.279 0.138 25830 9847 1 19 . 1 1 76 76 CYS N N 76 115.021 115.021 116.228 -1.207 25830 9848 1 19 . 1 1 76 76 CYS HA H 76 4.895 4.895 4.511 0.384 25830 9849 1 19 . 1 1 76 76 CYS C C 76 172.300 172.300 175.423 -3.123 25830 9850 1 19 . 1 1 76 76 CYS CA C 76 49.730 49.730 59.662 -9.932 25830 9851 1 19 . 1 1 76 76 CYS CB C 76 32.817 32.817 28.054 4.763 25830 9852 1 19 . 1 1 76 76 CYS H H 76 7.756 7.756 7.566 0.190 25830 9853 1 19 . 1 1 77 77 GLY N N 77 109.352 109.352 108.050 1.302 25830 9854 1 19 . 1 1 77 77 GLY C C 77 171.753 171.753 174.255 -2.502 25830 9855 1 19 . 1 1 77 77 GLY CA C 77 43.794 43.794 45.231 -1.437 25830 9856 1 19 . 1 1 77 77 GLY H H 77 7.894 7.894 8.177 -0.283 25830 9857 1 19 . 1 1 78 78 VAL N N 78 115.528 115.528 115.437 0.091 25830 9858 1 19 . 1 1 78 78 VAL HA H 78 4.491 4.491 4.518 -0.027 25830 9859 1 19 . 1 1 78 78 VAL C C 78 171.256 171.256 174.863 -3.607 25830 9860 1 19 . 1 1 78 78 VAL CA C 78 56.800 56.800 60.394 -3.594 25830 9861 1 19 . 1 1 78 78 VAL CB C 78 31.741 31.741 33.367 -1.626 25830 9862 1 19 . 1 1 78 78 VAL H H 78 8.137 8.137 7.441 0.696 25830 9863 1 19 . 1 1 79 79 SER N N 79 116.418 116.418 117.888 -1.470 25830 9864 1 19 . 1 1 79 79 SER HA H 79 4.583 4.583 4.716 -0.133 25830 9865 1 19 . 1 1 79 79 SER C C 79 170.681 170.681 173.945 -3.264 25830 9866 1 19 . 1 1 79 79 SER CA C 79 54.258 54.258 56.970 -2.712 25830 9867 1 19 . 1 1 79 79 SER CB C 79 61.468 61.468 63.620 -2.152 25830 9868 1 19 . 1 1 79 79 SER H H 79 8.124 8.124 8.189 -0.065 25830 9869 1 19 . 1 1 80 80 ILE N N 80 120.257 120.257 123.358 -3.101 25830 9870 1 19 . 1 1 80 80 ILE HA H 80 4.639 4.639 4.711 -0.072 25830 9871 1 19 . 1 1 80 80 ILE C C 80 172.830 172.830 175.556 -2.726 25830 9872 1 19 . 1 1 80 80 ILE CA C 80 55.333 55.333 57.211 -1.878 25830 9873 1 19 . 1 1 80 80 ILE CB C 80 38.093 38.093 38.225 -0.132 25830 9874 1 19 . 1 1 80 80 ILE H H 80 8.089 8.089 8.318 -0.229 25830 9875 1 19 . 1 1 81 81 PRO HA H 81 4.547 4.547 4.298 0.249 25830 9876 1 19 . 1 1 81 81 PRO C C 81 171.325 171.325 175.482 -4.157 25830 9877 1 19 . 1 1 81 81 PRO CA C 81 60.903 60.903 64.423 -3.520 25830 9878 1 19 . 1 1 81 81 PRO CB C 81 27.693 27.693 31.746 -4.053 25830 9879 1 19 . 1 1 82 82 TYR N N 82 115.259 115.259 112.964 2.295 25830 9880 1 19 . 1 1 82 82 TYR HA H 82 4.732 4.732 4.670 0.062 25830 9881 1 19 . 1 1 82 82 TYR C C 82 170.187 170.187 173.715 -3.528 25830 9882 1 19 . 1 1 82 82 TYR CA C 82 51.930 51.930 54.441 -2.511 25830 9883 1 19 . 1 1 82 82 TYR CB C 82 37.275 37.275 39.254 -1.979 25830 9884 1 19 . 1 1 82 82 TYR H H 82 6.642 6.642 6.877 -0.235 25830 9885 1 19 . 1 1 83 83 LYS N N 83 116.992 116.992 120.455 -3.463 25830 9886 1 19 . 1 1 83 83 LYS HA H 83 4.464 4.464 4.477 -0.013 25830 9887 1 19 . 1 1 83 83 LYS C C 83 174.342 174.342 175.785 -1.443 25830 9888 1 19 . 1 1 83 83 LYS CA C 83 51.653 51.653 55.303 -3.650 25830 9889 1 19 . 1 1 83 83 LYS CB C 83 31.513 31.513 33.183 -1.670 25830 9890 1 19 . 1 1 83 83 LYS H H 83 8.301 8.301 8.443 -0.142 25830 9891 1 19 . 1 1 84 84 ILE N N 84 126.906 126.906 119.762 7.144 25830 9892 1 19 . 1 1 84 84 ILE HA H 84 3.913 3.913 4.440 -0.527 25830 9893 1 19 . 1 1 84 84 ILE C C 84 170.945 170.945 174.596 -3.651 25830 9894 1 19 . 1 1 84 84 ILE CA C 84 59.761 59.761 61.059 -1.298 25830 9895 1 19 . 1 1 84 84 ILE CB C 84 33.534 33.534 38.373 -4.839 25830 9896 1 19 . 1 1 84 84 ILE H H 84 9.304 9.304 8.536 0.768 25830 9897 1 19 . 1 1 85 85 SER N N 85 120.246 120.246 118.969 1.277 25830 9898 1 19 . 1 1 85 85 SER HA H 85 4.563 4.563 4.819 -0.256 25830 9899 1 19 . 1 1 85 85 SER C C 85 171.695 171.695 175.016 -3.321 25830 9900 1 19 . 1 1 85 85 SER CA C 85 53.394 53.394 56.735 -3.341 25830 9901 1 19 . 1 1 85 85 SER CB C 85 61.638 61.638 66.544 -4.906 25830 9902 1 19 . 1 1 85 85 SER H H 85 7.256 7.256 7.924 -0.668 25830 9903 1 19 . 1 1 86 86 THR N N 86 115.458 115.458 114.400 1.058 25830 9904 1 19 . 1 1 86 86 THR HA H 86 4.147 4.147 4.178 -0.031 25830 9905 1 19 . 1 1 86 86 THR C C 86 172.663 172.663 174.967 -2.304 25830 9906 1 19 . 1 1 86 86 THR CA C 86 61.527 61.527 64.739 -3.212 25830 9907 1 19 . 1 1 86 86 THR CB C 86 65.858 65.858 68.742 -2.884 25830 9908 1 19 . 1 1 86 86 THR H H 86 8.819 8.819 8.567 0.252 25830 9909 1 19 . 1 1 87 87 SER N N 87 114.029 114.029 114.126 -0.097 25830 9910 1 19 . 1 1 87 87 SER HA H 87 4.524 4.524 4.531 -0.007 25830 9911 1 19 . 1 1 87 87 SER C C 87 172.010 172.010 174.398 -2.388 25830 9912 1 19 . 1 1 87 87 SER CA C 87 55.408 55.408 57.808 -2.400 25830 9913 1 19 . 1 1 87 87 SER CB C 87 61.144 61.144 63.334 -2.189 25830 9914 1 19 . 1 1 87 87 SER H H 87 8.239 8.239 7.730 0.509 25830 9915 1 19 . 1 1 88 88 THR N N 88 120.831 120.831 119.673 1.158 25830 9916 1 19 . 1 1 88 88 THR HA H 88 3.808 3.808 4.320 -0.512 25830 9917 1 19 . 1 1 88 88 THR C C 88 181.273 181.273 174.656 6.617 25830 9918 1 19 . 1 1 88 88 THR CA C 88 61.409 61.409 62.699 -1.290 25830 9919 1 19 . 1 1 88 88 THR CB C 88 67.556 67.556 69.803 -2.247 25830 9920 1 19 . 1 1 88 88 THR H H 88 7.142 7.142 7.297 -0.155 25830 9921 1 19 . 1 1 89 89 ASN N N 89 124.818 124.818 122.379 2.439 25830 9922 1 19 . 1 1 89 89 ASN HA H 89 4.819 4.819 4.702 0.117 25830 9923 1 19 . 1 1 89 89 ASN C C 89 173.325 173.325 175.613 -2.288 25830 9924 1 19 . 1 1 89 89 ASN CA C 89 48.483 48.483 53.055 -4.572 25830 9925 1 19 . 1 1 89 89 ASN CB C 89 34.958 34.958 38.565 -3.607 25830 9926 1 19 . 1 1 89 89 ASN H H 89 8.754 8.754 8.735 0.019 25830 9927 1 19 . 1 1 90 90 CYS N N 90 123.361 123.361 118.655 4.706 25830 9928 1 19 . 1 1 90 90 CYS HA H 90 4.174 4.174 4.080 0.094 25830 9929 1 19 . 1 1 90 90 CYS C C 90 172.573 172.573 176.339 -3.766 25830 9930 1 19 . 1 1 90 90 CYS CA C 90 54.158 54.158 60.504 -6.346 25830 9931 1 19 . 1 1 90 90 CYS CB C 90 36.687 36.687 26.199 10.488 25830 9932 1 19 . 1 1 90 90 CYS H H 90 8.790 8.790 8.666 0.124 25830 9933 1 19 . 1 1 91 91 ASN N N 91 115.199 115.199 116.206 -1.007 25830 9934 1 19 . 1 1 91 91 ASN HA H 91 4.578 4.578 4.450 0.128 25830 9935 1 19 . 1 1 91 91 ASN C C 91 173.584 173.584 176.403 -2.819 25830 9936 1 19 . 1 1 91 91 ASN CA C 91 52.264 52.264 55.191 -2.927 25830 9937 1 19 . 1 1 91 91 ASN CB C 91 35.690 35.690 37.770 -2.080 25830 9938 1 19 . 1 1 91 91 ASN H H 91 8.320 8.320 8.452 -0.132 25830 9939 1 19 . 1 1 92 92 THR N N 92 107.497 107.497 110.597 -3.100 25830 9940 1 19 . 1 1 92 92 THR HA H 92 4.388 4.388 4.300 0.088 25830 9941 1 19 . 1 1 92 92 THR C C 92 171.702 171.702 175.356 -3.654 25830 9942 1 19 . 1 1 92 92 THR CA C 92 58.280 58.280 61.924 -3.644 25830 9943 1 19 . 1 1 92 92 THR CB C 92 66.107 66.107 70.171 -4.064 25830 9944 1 19 . 1 1 92 92 THR H H 92 7.338 7.338 7.367 -0.029 25830 9945 1 19 . 1 1 93 93 VAL N N 93 123.151 123.151 122.761 0.390 25830 9946 1 19 . 1 1 93 93 VAL HA H 93 3.667 3.667 3.877 -0.210 25830 9947 1 19 . 1 1 93 93 VAL C C 93 172.207 172.207 175.470 -3.263 25830 9948 1 19 . 1 1 93 93 VAL CA C 93 59.846 59.846 64.039 -4.193 25830 9949 1 19 . 1 1 93 93 VAL CB C 93 29.999 29.999 32.355 -2.357 25830 9950 1 19 . 1 1 93 93 VAL H H 93 6.806 6.806 7.322 -0.516 25830 9951 1 19 . 1 1 94 94 ARG N N 94 127.129 127.129 125.697 1.432 25830 9952 1 19 . 1 1 94 94 ARG HA H 94 4.339 4.339 4.526 -0.187 25830 9953 1 19 . 1 1 94 94 ARG C C 94 171.859 171.859 175.811 -3.952 25830 9954 1 19 . 1 1 94 94 ARG CA C 94 52.395 52.395 54.939 -2.544 25830 9955 1 19 . 1 1 94 94 ARG CB C 94 26.973 26.973 32.347 -5.374 25830 9956 1 19 . 1 1 94 94 ARG H H 94 8.201 8.201 8.418 -0.217 25830 9957 1 20 . 1 1 2 2 LEU N N 2 123.438 123.438 121.800 1.638 25830 9958 1 20 . 1 1 2 2 LEU HA H 2 4.344 4.344 4.641 -0.297 25830 9959 1 20 . 1 1 2 2 LEU C C 2 172.388 172.388 176.235 -3.847 25830 9960 1 20 . 1 1 2 2 LEU CA C 2 52.560 52.560 55.224 -2.664 25830 9961 1 20 . 1 1 2 2 LEU CB C 2 40.603 40.603 42.623 -2.019 25830 9962 1 20 . 1 1 2 2 LEU H H 2 8.368 8.368 8.527 -0.159 25830 9963 1 20 . 1 1 3 3 SER N N 3 119.868 119.868 119.264 0.604 25830 9964 1 20 . 1 1 3 3 SER HA H 3 4.748 4.748 4.656 0.092 25830 9965 1 20 . 1 1 3 3 SER C C 3 173.163 173.163 175.828 -2.665 25830 9966 1 20 . 1 1 3 3 SER CA C 3 53.523 53.523 56.615 -3.092 25830 9967 1 20 . 1 1 3 3 SER CB C 3 62.412 62.412 65.008 -2.596 25830 9968 1 20 . 1 1 3 3 SER H H 3 8.550 8.550 8.326 0.224 25830 9969 1 20 . 1 1 4 4 CYS N N 4 120.408 120.408 126.595 -6.187 25830 9970 1 20 . 1 1 4 4 CYS HA H 4 4.586 4.586 4.269 0.317 25830 9971 1 20 . 1 1 4 4 CYS C C 4 175.067 175.067 176.975 -1.908 25830 9972 1 20 . 1 1 4 4 CYS CA C 4 52.166 52.166 60.555 -8.389 25830 9973 1 20 . 1 1 4 4 CYS CB C 4 30.372 30.372 26.537 3.835 25830 9974 1 20 . 1 1 4 4 CYS H H 4 9.222 9.222 9.165 0.057 25830 9975 1 20 . 1 1 5 5 GLY N N 5 110.663 110.663 107.137 3.526 25830 9976 1 20 . 1 1 5 5 GLY C C 5 174.023 174.023 175.266 -1.243 25830 9977 1 20 . 1 1 5 5 GLY CA C 5 44.577 44.577 47.425 -2.848 25830 9978 1 20 . 1 1 5 5 GLY H H 5 8.721 8.721 7.979 0.742 25830 9979 1 20 . 1 1 6 6 THR N N 6 118.884 118.884 116.048 2.836 25830 9980 1 20 . 1 1 6 6 THR HA H 6 4.031 4.031 4.332 -0.301 25830 9981 1 20 . 1 1 6 6 THR C C 6 172.782 172.782 176.391 -3.609 25830 9982 1 20 . 1 1 6 6 THR CA C 6 62.801 62.801 65.221 -2.420 25830 9983 1 20 . 1 1 6 6 THR CB C 6 65.896 65.896 69.400 -3.503 25830 9984 1 20 . 1 1 6 6 THR H H 6 7.676 7.676 7.813 -0.137 25830 9985 1 20 . 1 1 7 7 VAL N N 7 120.789 120.789 123.067 -2.278 25830 9986 1 20 . 1 1 7 7 VAL HA H 7 3.607 3.607 3.989 -0.382 25830 9987 1 20 . 1 1 7 7 VAL C C 7 174.356 174.356 178.085 -3.729 25830 9988 1 20 . 1 1 7 7 VAL CA C 7 63.774 63.774 65.283 -1.509 25830 9989 1 20 . 1 1 7 7 VAL CB C 7 28.610 28.610 31.158 -2.548 25830 9990 1 20 . 1 1 7 7 VAL H H 7 7.280 7.280 7.401 -0.121 25830 9991 1 20 . 1 1 8 8 SER N N 8 114.047 114.047 116.241 -2.194 25830 9992 1 20 . 1 1 8 8 SER HA H 8 3.858 3.858 4.169 -0.311 25830 9993 1 20 . 1 1 8 8 SER C C 8 173.948 173.948 176.072 -2.124 25830 9994 1 20 . 1 1 8 8 SER CA C 8 59.791 59.791 61.473 -1.682 25830 9995 1 20 . 1 1 8 8 SER CB C 8 59.242 59.242 63.042 -3.800 25830 9996 1 20 . 1 1 8 8 SER H H 8 8.501 8.501 8.193 0.308 25830 9997 1 20 . 1 1 9 9 ALA N N 9 123.669 123.669 123.717 -0.048 25830 9998 1 20 . 1 1 9 9 ALA HA H 9 4.165 4.165 4.143 0.022 25830 9999 1 20 . 1 1 9 9 ALA C C 9 177.740 177.740 178.803 -1.063 25830 10000 1 20 . 1 1 9 9 ALA CA C 9 52.218 52.218 54.547 -2.329 25830 10001 1 20 . 1 1 9 9 ALA CB C 9 15.348 15.348 18.207 -2.859 25830 10002 1 20 . 1 1 9 9 ALA H H 9 7.685 7.685 7.671 0.014 25830 10003 1 20 . 1 1 10 10 ASP N N 10 118.653 118.653 117.946 0.707 25830 10004 1 20 . 1 1 10 10 ASP HA H 10 4.414 4.414 4.446 -0.032 25830 10005 1 20 . 1 1 10 10 ASP C C 10 173.327 173.327 178.245 -4.918 25830 10006 1 20 . 1 1 10 10 ASP CA C 10 53.357 53.357 56.623 -3.266 25830 10007 1 20 . 1 1 10 10 ASP CB C 10 35.579 35.579 41.416 -5.837 25830 10008 1 20 . 1 1 10 10 ASP H H 10 8.161 8.161 7.885 0.276 25830 10009 1 20 . 1 1 11 11 LEU N N 11 115.104 115.104 117.519 -2.415 25830 10010 1 20 . 1 1 11 11 LEU HA H 11 4.183 4.183 4.452 -0.269 25830 10011 1 20 . 1 1 11 11 LEU C C 11 175.206 175.206 177.786 -2.580 25830 10012 1 20 . 1 1 11 11 LEU CA C 11 51.360 51.360 56.382 -5.022 25830 10013 1 20 . 1 1 11 11 LEU CB C 11 40.185 40.185 41.305 -1.120 25830 10014 1 20 . 1 1 11 11 LEU H H 11 7.731 7.731 7.249 0.482 25830 10015 1 20 . 1 1 12 12 ALA N N 12 124.133 124.133 123.935 0.198 25830 10016 1 20 . 1 1 12 12 ALA HA H 12 4.309 4.309 4.166 0.143 25830 10017 1 20 . 1 1 12 12 ALA C C 12 174.540 174.540 177.174 -2.634 25830 10018 1 20 . 1 1 12 12 ALA CA C 12 54.075 54.075 56.381 -2.306 25830 10019 1 20 . 1 1 12 12 ALA CB C 12 13.256 13.256 16.380 -3.124 25830 10020 1 20 . 1 1 12 12 ALA H H 12 7.481 7.481 8.138 -0.657 25830 10021 1 20 . 1 1 13 13 PRO HA H 13 4.674 4.674 4.465 0.209 25830 10022 1 20 . 1 1 13 13 PRO C C 13 174.824 174.824 176.595 -1.771 25830 10023 1 20 . 1 1 13 13 PRO CA C 13 61.982 61.982 64.382 -2.400 25830 10024 1 20 . 1 1 13 13 PRO CB C 13 28.804 28.804 31.271 -2.467 25830 10025 1 20 . 1 1 14 14 CYS N N 14 114.225 114.225 116.768 -2.543 25830 10026 1 20 . 1 1 14 14 CYS HA H 14 4.722 4.722 4.691 0.031 25830 10027 1 20 . 1 1 14 14 CYS C C 14 172.376 172.376 176.706 -4.330 25830 10028 1 20 . 1 1 14 14 CYS CA C 14 51.481 51.481 59.868 -8.387 25830 10029 1 20 . 1 1 14 14 CYS CB C 14 39.508 39.508 27.492 12.016 25830 10030 1 20 . 1 1 14 14 CYS H H 14 8.938 8.938 7.620 1.318 25830 10031 1 20 . 1 1 15 15 VAL N N 15 122.488 122.488 121.481 1.007 25830 10032 1 20 . 1 1 15 15 VAL HA H 15 3.350 3.350 3.535 -0.185 25830 10033 1 20 . 1 1 15 15 VAL C C 15 173.644 173.644 177.504 -3.860 25830 10034 1 20 . 1 1 15 15 VAL CA C 15 66.608 66.608 67.897 -1.289 25830 10035 1 20 . 1 1 15 15 VAL CB C 15 28.692 28.692 31.660 -2.968 25830 10036 1 20 . 1 1 15 15 VAL H H 15 7.767 7.767 7.661 0.106 25830 10037 1 20 . 1 1 16 16 THR N N 16 112.169 112.169 112.924 -0.755 25830 10038 1 20 . 1 1 16 16 THR HA H 16 4.012 4.012 3.939 0.073 25830 10039 1 20 . 1 1 16 16 THR C C 16 175.021 175.021 175.953 -0.932 25830 10040 1 20 . 1 1 16 16 THR CA C 16 63.879 63.879 65.992 -2.113 25830 10041 1 20 . 1 1 16 16 THR CB C 16 65.364 65.364 68.981 -3.617 25830 10042 1 20 . 1 1 16 16 THR H H 16 8.258 8.258 7.965 0.293 25830 10043 1 20 . 1 1 17 17 TYR N N 17 124.563 124.563 120.663 3.900 25830 10044 1 20 . 1 1 17 17 TYR HA H 17 4.265 4.265 4.282 -0.017 25830 10045 1 20 . 1 1 17 17 TYR C C 17 174.326 174.326 177.574 -3.248 25830 10046 1 20 . 1 1 17 17 TYR CA C 17 58.001 58.001 60.850 -2.849 25830 10047 1 20 . 1 1 17 17 TYR CB C 17 35.252 35.252 38.535 -3.283 25830 10048 1 20 . 1 1 17 17 TYR H H 17 8.280 8.280 7.656 0.624 25830 10049 1 20 . 1 1 18 18 LEU N N 18 119.213 119.213 118.541 0.672 25830 10050 1 20 . 1 1 18 18 LEU HA H 18 3.630 3.630 3.929 -0.299 25830 10051 1 20 . 1 1 18 18 LEU C C 18 172.858 172.858 177.897 -5.039 25830 10052 1 20 . 1 1 18 18 LEU CA C 18 54.171 54.171 56.785 -2.614 25830 10053 1 20 . 1 1 18 18 LEU CB C 18 38.310 38.310 41.590 -3.280 25830 10054 1 20 . 1 1 18 18 LEU H H 18 8.394 8.394 8.254 0.140 25830 10055 1 20 . 1 1 19 19 GLN N N 19 114.782 114.782 113.785 0.997 25830 10056 1 20 . 1 1 19 19 GLN HA H 19 4.582 4.582 4.334 0.248 25830 10057 1 20 . 1 1 19 19 GLN C C 19 172.754 172.754 175.711 -2.957 25830 10058 1 20 . 1 1 19 19 GLN CA C 19 52.320 52.320 55.178 -2.858 25830 10059 1 20 . 1 1 19 19 GLN CB C 19 27.954 27.954 29.766 -1.812 25830 10060 1 20 . 1 1 19 19 GLN H H 19 7.319 7.319 7.504 -0.185 25830 10061 1 20 . 1 1 20 20 ALA N N 20 126.473 126.473 124.039 2.434 25830 10062 1 20 . 1 1 20 20 ALA HA H 20 4.494 4.494 4.552 -0.058 25830 10063 1 20 . 1 1 20 20 ALA C C 20 171.072 171.072 175.455 -4.383 25830 10064 1 20 . 1 1 20 20 ALA CA C 20 48.862 48.862 50.101 -1.239 25830 10065 1 20 . 1 1 20 20 ALA CB C 20 15.610 15.610 18.571 -2.961 25830 10066 1 20 . 1 1 20 20 ALA H H 20 7.292 7.292 7.106 0.186 25830 10067 1 20 . 1 1 21 21 PRO HA H 21 4.440 4.440 4.406 0.034 25830 10068 1 20 . 1 1 21 21 PRO C C 21 174.052 174.052 176.898 -2.846 25830 10069 1 20 . 1 1 21 21 PRO CA C 21 59.522 59.522 61.883 -2.361 25830 10070 1 20 . 1 1 21 21 PRO CB C 21 29.853 29.853 32.585 -2.732 25830 10071 1 20 . 1 1 22 22 ASN N N 22 117.448 117.448 116.668 0.780 25830 10072 1 20 . 1 1 22 22 ASN HA H 22 4.754 4.754 4.436 0.318 25830 10073 1 20 . 1 1 22 22 ASN C C 22 173.299 173.299 175.398 -2.099 25830 10074 1 20 . 1 1 22 22 ASN CA C 22 51.478 51.478 55.321 -3.843 25830 10075 1 20 . 1 1 22 22 ASN CB C 22 35.291 35.291 38.195 -2.904 25830 10076 1 20 . 1 1 22 22 ASN H H 22 8.466 8.466 8.588 -0.122 25830 10077 1 20 . 1 1 23 23 ASN N N 23 113.171 113.171 116.326 -3.155 25830 10078 1 20 . 1 1 23 23 ASN HA H 23 4.555 4.555 4.757 -0.202 25830 10079 1 20 . 1 1 23 23 ASN C C 23 172.210 172.210 174.448 -2.238 25830 10080 1 20 . 1 1 23 23 ASN CA C 23 50.626 50.626 52.624 -1.998 25830 10081 1 20 . 1 1 23 23 ASN CB C 23 34.278 34.278 38.096 -3.818 25830 10082 1 20 . 1 1 23 23 ASN H H 23 8.187 8.187 8.125 0.062 25830 10083 1 20 . 1 1 24 24 ALA N N 24 122.578 122.578 123.636 -1.058 25830 10084 1 20 . 1 1 24 24 ALA HA H 24 4.394 4.394 4.306 0.088 25830 10085 1 20 . 1 1 24 24 ALA C C 24 173.708 173.708 175.706 -1.998 25830 10086 1 20 . 1 1 24 24 ALA CA C 24 49.696 49.696 52.489 -2.793 25830 10087 1 20 . 1 1 24 24 ALA CB C 24 18.288 18.288 20.198 -1.910 25830 10088 1 20 . 1 1 24 24 ALA H H 24 7.381 7.381 7.293 0.088 25830 10089 1 20 . 1 1 25 25 SER N N 25 115.237 115.237 116.374 -1.137 25830 10090 1 20 . 1 1 25 25 SER HA H 25 4.922 4.922 4.837 0.085 25830 10091 1 20 . 1 1 25 25 SER C C 25 181.107 181.107 171.982 9.125 25830 10092 1 20 . 1 1 25 25 SER CA C 25 53.033 53.033 55.557 -2.524 25830 10093 1 20 . 1 1 25 25 SER CB C 25 61.549 61.549 64.675 -3.126 25830 10094 1 20 . 1 1 25 25 SER H H 25 8.649 8.649 8.602 0.047 25830 10095 1 20 . 1 1 26 26 PRO HA H 26 4.014 4.014 4.262 -0.248 25830 10096 1 20 . 1 1 26 26 PRO CA C 26 57.292 57.292 62.110 -4.818 25830 10097 1 20 . 1 1 26 26 PRO CB C 26 27.450 27.450 30.822 -3.372 25830 10098 1 20 . 1 1 27 27 PRO HA H 27 4.881 4.881 4.562 0.319 25830 10099 1 20 . 1 1 27 27 PRO CA C 27 58.500 58.500 61.572 -3.072 25830 10100 1 20 . 1 1 27 27 PRO CB C 27 28.489 28.489 31.368 -2.879 25830 10101 1 20 . 1 1 28 28 PRO HA H 28 4.421 4.421 4.208 0.213 25830 10102 1 20 . 1 1 28 28 PRO CA C 28 64.505 64.505 67.088 -2.583 25830 10103 1 20 . 1 1 28 28 PRO CB C 28 26.217 26.217 29.344 -3.127 25830 10104 1 20 . 1 1 29 29 PRO HA H 29 4.477 4.477 4.286 0.191 25830 10105 1 20 . 1 1 29 29 PRO C C 29 177.330 177.330 178.972 -1.642 25830 10106 1 20 . 1 1 29 29 PRO CA C 29 62.883 62.883 65.621 -2.738 25830 10107 1 20 . 1 1 29 29 PRO CB C 29 28.301 28.301 30.971 -2.670 25830 10108 1 20 . 1 1 30 30 CYS N N 30 114.694 114.694 117.657 -2.963 25830 10109 1 20 . 1 1 30 30 CYS HA H 30 4.456 4.456 4.245 0.211 25830 10110 1 20 . 1 1 30 30 CYS C C 30 172.260 172.260 176.854 -4.594 25830 10111 1 20 . 1 1 30 30 CYS CA C 30 55.585 55.585 61.761 -6.176 25830 10112 1 20 . 1 1 30 30 CYS CB C 30 34.602 34.602 26.042 8.560 25830 10113 1 20 . 1 1 30 30 CYS H H 30 7.637 7.637 7.700 -0.063 25830 10114 1 20 . 1 1 31 31 CYS N N 31 116.335 116.335 120.660 -4.325 25830 10115 1 20 . 1 1 31 31 CYS HA H 31 4.607 4.607 4.078 0.529 25830 10116 1 20 . 1 1 31 31 CYS C C 31 174.401 174.401 177.291 -2.890 25830 10117 1 20 . 1 1 31 31 CYS CA C 31 51.858 51.858 63.101 -11.243 25830 10118 1 20 . 1 1 31 31 CYS CB C 31 29.979 29.979 25.750 4.229 25830 10119 1 20 . 1 1 31 31 CYS H H 31 7.083 7.083 8.182 -1.099 25830 10120 1 20 . 1 1 32 32 ALA N N 32 121.738 121.738 121.345 0.393 25830 10121 1 20 . 1 1 32 32 ALA HA H 32 4.070 4.070 3.987 0.083 25830 10122 1 20 . 1 1 32 32 ALA C C 32 177.730 177.730 179.341 -1.611 25830 10123 1 20 . 1 1 32 32 ALA CA C 32 52.557 52.557 55.222 -2.666 25830 10124 1 20 . 1 1 32 32 ALA CB C 32 15.204 15.204 18.002 -2.798 25830 10125 1 20 . 1 1 32 32 ALA H H 32 8.481 8.481 8.395 0.086 25830 10126 1 20 . 1 1 33 33 GLY N N 33 108.715 108.715 106.655 2.060 25830 10127 1 20 . 1 1 33 33 GLY C C 33 172.825 172.825 176.166 -3.341 25830 10128 1 20 . 1 1 33 33 GLY CA C 33 44.748 44.748 47.075 -2.327 25830 10129 1 20 . 1 1 33 33 GLY H H 33 7.683 7.683 7.658 0.025 25830 10130 1 20 . 1 1 34 34 VAL N N 34 121.079 121.079 120.966 0.113 25830 10131 1 20 . 1 1 34 34 VAL HA H 34 3.489 3.489 3.592 -0.103 25830 10132 1 20 . 1 1 34 34 VAL C C 34 174.764 174.764 178.271 -3.507 25830 10133 1 20 . 1 1 34 34 VAL CA C 34 63.930 63.930 65.796 -1.866 25830 10134 1 20 . 1 1 34 34 VAL CB C 34 29.037 29.037 31.677 -2.640 25830 10135 1 20 . 1 1 34 34 VAL H H 34 8.085 8.085 7.517 0.568 25830 10136 1 20 . 1 1 35 35 LYS N N 35 117.845 117.845 118.743 -0.898 25830 10137 1 20 . 1 1 35 35 LYS HA H 35 3.814 3.814 4.075 -0.261 25830 10138 1 20 . 1 1 35 35 LYS C C 35 176.677 176.677 179.121 -2.444 25830 10139 1 20 . 1 1 35 35 LYS CA C 35 57.849 57.849 59.081 -1.232 25830 10140 1 20 . 1 1 35 35 LYS CB C 35 29.635 29.635 31.938 -2.303 25830 10141 1 20 . 1 1 35 35 LYS H H 35 8.089 8.089 7.529 0.560 25830 10142 1 20 . 1 1 36 36 LYS N N 36 120.507 120.507 120.777 -0.270 25830 10143 1 20 . 1 1 36 36 LYS HA H 36 3.946 3.946 4.094 -0.148 25830 10144 1 20 . 1 1 36 36 LYS C C 36 176.481 176.481 178.865 -2.384 25830 10145 1 20 . 1 1 36 36 LYS CA C 36 56.889 56.889 58.571 -1.682 25830 10146 1 20 . 1 1 36 36 LYS CB C 36 29.999 29.999 32.138 -2.139 25830 10147 1 20 . 1 1 36 36 LYS H H 36 7.940 7.940 7.838 0.102 25830 10148 1 20 . 1 1 37 37 LEU N N 37 121.929 121.929 119.850 2.079 25830 10149 1 20 . 1 1 37 37 LEU HA H 37 4.012 4.012 4.131 -0.119 25830 10150 1 20 . 1 1 37 37 LEU C C 37 175.490 175.490 178.388 -2.898 25830 10151 1 20 . 1 1 37 37 LEU CA C 37 55.567 55.567 56.822 -1.255 25830 10152 1 20 . 1 1 37 37 LEU CB C 37 38.621 38.621 40.721 -2.100 25830 10153 1 20 . 1 1 37 37 LEU H H 37 7.882 7.882 7.675 0.207 25830 10154 1 20 . 1 1 38 38 LEU N N 38 117.061 117.061 119.502 -2.441 25830 10155 1 20 . 1 1 38 38 LEU HA H 38 4.050 4.050 3.986 0.064 25830 10156 1 20 . 1 1 38 38 LEU C C 38 177.275 177.275 178.599 -1.324 25830 10157 1 20 . 1 1 38 38 LEU CA C 38 54.535 54.535 57.737 -3.202 25830 10158 1 20 . 1 1 38 38 LEU CB C 38 38.448 38.448 41.546 -3.098 25830 10159 1 20 . 1 1 38 38 LEU H H 38 7.812 7.812 7.447 0.365 25830 10160 1 20 . 1 1 39 39 ALA N N 39 119.986 119.986 119.209 0.777 25830 10161 1 20 . 1 1 39 39 ALA HA H 39 4.105 4.105 4.280 -0.175 25830 10162 1 20 . 1 1 39 39 ALA C C 39 175.721 175.721 178.118 -2.397 25830 10163 1 20 . 1 1 39 39 ALA CA C 39 50.910 50.910 52.742 -1.832 25830 10164 1 20 . 1 1 39 39 ALA CB C 39 15.545 15.545 19.096 -3.551 25830 10165 1 20 . 1 1 39 39 ALA H H 39 7.914 7.914 7.541 0.373 25830 10166 1 20 . 1 1 40 40 ALA N N 40 118.015 118.015 121.328 -3.313 25830 10167 1 20 . 1 1 40 40 ALA HA H 40 4.266 4.266 4.195 0.071 25830 10168 1 20 . 1 1 40 40 ALA C C 40 174.416 174.416 177.915 -3.499 25830 10169 1 20 . 1 1 40 40 ALA CA C 40 49.886 49.886 53.547 -3.661 25830 10170 1 20 . 1 1 40 40 ALA CB C 40 16.330 16.330 19.056 -2.726 25830 10171 1 20 . 1 1 40 40 ALA H H 40 7.302 7.302 7.388 -0.086 25830 10172 1 20 . 1 1 41 41 ALA N N 41 122.389 122.389 120.538 1.851 25830 10173 1 20 . 1 1 41 41 ALA HA H 41 4.605 4.605 4.277 0.328 25830 10174 1 20 . 1 1 41 41 ALA C C 41 172.709 172.709 177.632 -4.923 25830 10175 1 20 . 1 1 41 41 ALA CA C 41 47.917 47.917 52.095 -4.178 25830 10176 1 20 . 1 1 41 41 ALA CB C 41 15.072 15.072 20.146 -5.074 25830 10177 1 20 . 1 1 41 41 ALA H H 41 7.304 7.304 7.390 -0.086 25830 10178 1 20 . 1 1 42 42 THR N N 42 113.142 113.142 112.743 0.399 25830 10179 1 20 . 1 1 42 42 THR HA H 42 4.422 4.422 4.299 0.123 25830 10180 1 20 . 1 1 42 42 THR C C 42 172.086 172.086 175.203 -3.117 25830 10181 1 20 . 1 1 42 42 THR CA C 42 59.772 59.772 63.043 -3.271 25830 10182 1 20 . 1 1 42 42 THR CB C 42 66.992 66.992 69.272 -2.280 25830 10183 1 20 . 1 1 42 42 THR H H 42 8.663 8.663 8.150 0.513 25830 10184 1 20 . 1 1 43 43 THR N N 43 111.501 111.501 112.769 -1.268 25830 10185 1 20 . 1 1 43 43 THR HA H 43 4.704 4.704 4.601 0.103 25830 10186 1 20 . 1 1 43 43 THR C C 43 172.283 172.283 175.099 -2.816 25830 10187 1 20 . 1 1 43 43 THR CA C 43 56.869 56.869 59.614 -2.745 25830 10188 1 20 . 1 1 43 43 THR CB C 43 69.211 69.211 71.976 -2.765 25830 10189 1 20 . 1 1 43 43 THR H H 43 7.705 7.705 7.524 0.181 25830 10190 1 20 . 1 1 44 44 THR N N 44 119.157 119.157 115.423 3.734 25830 10191 1 20 . 1 1 44 44 THR HA H 44 3.861 3.861 4.318 -0.457 25830 10192 1 20 . 1 1 44 44 THR CA C 44 66.420 66.420 66.903 -0.483 25830 10193 1 20 . 1 1 44 44 THR CB C 44 63.702 63.702 67.862 -4.160 25830 10194 1 20 . 1 1 44 44 THR H H 44 9.305 9.305 8.533 0.772 25830 10195 1 20 . 1 1 45 45 PRO HA H 45 4.345 4.345 4.600 -0.255 25830 10196 1 20 . 1 1 45 45 PRO C C 45 177.238 177.238 178.209 -0.971 25830 10197 1 20 . 1 1 45 45 PRO CA C 45 63.192 63.192 65.065 -1.873 25830 10198 1 20 . 1 1 45 45 PRO CB C 45 28.232 28.232 31.394 -3.162 25830 10199 1 20 . 1 1 46 46 ASP N N 46 117.412 117.412 120.090 -2.678 25830 10200 1 20 . 1 1 46 46 ASP HA H 46 4.571 4.571 4.450 0.121 25830 10201 1 20 . 1 1 46 46 ASP C C 46 175.358 175.358 177.518 -2.160 25830 10202 1 20 . 1 1 46 46 ASP CA C 46 54.436 54.436 56.659 -2.223 25830 10203 1 20 . 1 1 46 46 ASP CB C 46 37.884 37.884 40.348 -2.464 25830 10204 1 20 . 1 1 46 46 ASP H H 46 7.238 7.238 8.311 -1.073 25830 10205 1 20 . 1 1 47 47 ARG N N 47 122.342 122.342 118.608 3.734 25830 10206 1 20 . 1 1 47 47 ARG HA H 47 3.754 3.754 3.968 -0.214 25830 10207 1 20 . 1 1 47 47 ARG C C 47 176.688 176.688 178.210 -1.522 25830 10208 1 20 . 1 1 47 47 ARG CA C 47 57.351 57.351 59.007 -1.656 25830 10209 1 20 . 1 1 47 47 ARG CB C 47 26.606 26.606 29.682 -3.076 25830 10210 1 20 . 1 1 47 47 ARG H H 47 8.383 8.383 7.476 0.907 25830 10211 1 20 . 1 1 48 48 GLN N N 48 120.813 120.813 118.851 1.962 25830 10212 1 20 . 1 1 48 48 GLN HA H 48 3.650 3.650 4.051 -0.401 25830 10213 1 20 . 1 1 48 48 GLN C C 48 175.354 175.354 177.906 -2.552 25830 10214 1 20 . 1 1 48 48 GLN CA C 48 56.742 56.742 58.730 -1.988 25830 10215 1 20 . 1 1 48 48 GLN CB C 48 25.406 25.406 28.010 -2.604 25830 10216 1 20 . 1 1 48 48 GLN H H 48 8.176 8.176 7.789 0.387 25830 10217 1 20 . 1 1 49 49 ALA N N 49 122.476 122.476 121.593 0.883 25830 10218 1 20 . 1 1 49 49 ALA HA H 49 4.224 4.224 3.955 0.269 25830 10219 1 20 . 1 1 49 49 ALA C C 49 177.581 177.581 179.114 -1.533 25830 10220 1 20 . 1 1 49 49 ALA CA C 49 52.410 52.410 54.792 -2.382 25830 10221 1 20 . 1 1 49 49 ALA CB C 49 15.305 15.305 17.931 -2.626 25830 10222 1 20 . 1 1 49 49 ALA H H 49 8.079 8.079 7.648 0.431 25830 10223 1 20 . 1 1 50 50 ALA N N 50 121.104 121.104 120.214 0.890 25830 10224 1 20 . 1 1 50 50 ALA HA H 50 3.686 3.686 3.969 -0.283 25830 10225 1 20 . 1 1 50 50 ALA C C 50 175.478 175.478 178.776 -3.298 25830 10226 1 20 . 1 1 50 50 ALA CA C 50 53.344 53.344 55.193 -1.849 25830 10227 1 20 . 1 1 50 50 ALA CB C 50 14.032 14.032 17.867 -3.835 25830 10228 1 20 . 1 1 50 50 ALA H H 50 8.494 8.494 7.665 0.829 25830 10229 1 20 . 1 1 51 51 CYS N N 51 117.063 117.063 116.914 0.149 25830 10230 1 20 . 1 1 51 51 CYS HA H 51 4.091 4.091 4.176 -0.085 25830 10231 1 20 . 1 1 51 51 CYS C C 51 173.692 173.692 176.678 -2.986 25830 10232 1 20 . 1 1 51 51 CYS CA C 51 57.660 57.660 61.347 -3.687 25830 10233 1 20 . 1 1 51 51 CYS CB C 51 34.278 34.278 25.662 8.616 25830 10234 1 20 . 1 1 51 51 CYS H H 51 7.466 7.466 8.004 -0.538 25830 10235 1 20 . 1 1 52 52 ASN N N 52 120.867 120.867 118.050 2.817 25830 10236 1 20 . 1 1 52 52 ASN HA H 52 4.403 4.403 4.503 -0.100 25830 10237 1 20 . 1 1 52 52 ASN C C 52 176.290 176.290 177.161 -0.871 25830 10238 1 20 . 1 1 52 52 ASN CA C 52 54.177 54.177 56.362 -2.185 25830 10239 1 20 . 1 1 52 52 ASN CB C 52 36.302 36.302 37.953 -1.651 25830 10240 1 20 . 1 1 52 52 ASN H H 52 8.164 8.164 7.500 0.664 25830 10241 1 20 . 1 1 53 53 CYS N N 53 119.542 119.542 119.853 -0.311 25830 10242 1 20 . 1 1 53 53 CYS HA H 53 4.543 4.543 4.335 0.208 25830 10243 1 20 . 1 1 53 53 CYS C C 53 175.294 175.294 177.250 -1.956 25830 10244 1 20 . 1 1 53 53 CYS CA C 53 53.637 53.637 62.609 -8.972 25830 10245 1 20 . 1 1 53 53 CYS CB C 53 34.302 34.302 26.418 7.884 25830 10246 1 20 . 1 1 53 53 CYS H H 53 8.974 8.974 8.001 0.973 25830 10247 1 20 . 1 1 54 54 LEU N N 54 124.510 124.510 118.868 5.642 25830 10248 1 20 . 1 1 54 54 LEU HA H 54 3.964 3.964 3.883 0.081 25830 10249 1 20 . 1 1 54 54 LEU C C 54 175.082 175.082 179.117 -4.035 25830 10250 1 20 . 1 1 54 54 LEU CA C 54 55.725 55.725 58.046 -2.321 25830 10251 1 20 . 1 1 54 54 LEU CB C 54 39.035 39.035 41.398 -2.363 25830 10252 1 20 . 1 1 54 54 LEU H H 54 8.794 8.794 8.016 0.778 25830 10253 1 20 . 1 1 55 55 LYS N N 55 120.615 120.615 118.912 1.703 25830 10254 1 20 . 1 1 55 55 LYS HA H 55 3.929 3.929 4.100 -0.171 25830 10255 1 20 . 1 1 55 55 LYS C C 55 176.860 176.860 178.358 -1.498 25830 10256 1 20 . 1 1 55 55 LYS CA C 55 57.089 57.089 59.398 -2.309 25830 10257 1 20 . 1 1 55 55 LYS CB C 55 30.420 30.420 32.059 -1.639 25830 10258 1 20 . 1 1 55 55 LYS H H 55 8.119 8.119 7.573 0.546 25830 10259 1 20 . 1 1 56 56 SER N N 56 113.653 113.653 115.731 -2.078 25830 10260 1 20 . 1 1 56 56 SER HA H 56 4.202 4.202 4.294 -0.092 25830 10261 1 20 . 1 1 56 56 SER C C 56 175.009 175.009 176.752 -1.743 25830 10262 1 20 . 1 1 56 56 SER CA C 56 58.397 58.397 61.045 -2.648 25830 10263 1 20 . 1 1 56 56 SER CB C 56 60.063 60.063 62.868 -2.805 25830 10264 1 20 . 1 1 56 56 SER H H 56 7.746 7.746 7.409 0.337 25830 10265 1 20 . 1 1 57 57 ALA N N 57 125.184 125.184 124.834 0.350 25830 10266 1 20 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.079 -0.006 25830 10267 1 20 . 1 1 57 57 ALA C C 57 177.735 177.735 179.651 -1.916 25830 10268 1 20 . 1 1 57 57 ALA CA C 57 52.222 52.222 54.576 -2.354 25830 10269 1 20 . 1 1 57 57 ALA CB C 57 14.710 14.710 18.145 -3.435 25830 10270 1 20 . 1 1 57 57 ALA H H 57 8.370 8.370 8.635 -0.265 25830 10271 1 20 . 1 1 58 58 ALA N N 58 119.288 119.288 121.331 -2.043 25830 10272 1 20 . 1 1 58 58 ALA HA H 58 3.873 3.873 4.086 -0.213 25830 10273 1 20 . 1 1 58 58 ALA C C 58 176.201 176.201 179.889 -3.688 25830 10274 1 20 . 1 1 58 58 ALA CA C 58 52.154 52.154 54.792 -2.638 25830 10275 1 20 . 1 1 58 58 ALA CB C 58 13.944 13.944 18.249 -4.305 25830 10276 1 20 . 1 1 58 58 ALA H H 58 8.355 8.355 7.772 0.583 25830 10277 1 20 . 1 1 59 59 GLY N N 59 101.896 101.896 104.712 -2.816 25830 10278 1 20 . 1 1 59 59 GLY C C 59 171.619 171.619 175.588 -3.969 25830 10279 1 20 . 1 1 59 59 GLY CA C 59 43.245 43.245 46.189 -2.944 25830 10280 1 20 . 1 1 59 59 GLY H H 59 7.613 7.613 7.891 -0.278 25830 10281 1 20 . 1 1 60 60 SER N N 60 114.297 114.297 115.849 -1.552 25830 10282 1 20 . 1 1 60 60 SER HA H 60 4.548 4.548 4.354 0.194 25830 10283 1 20 . 1 1 60 60 SER C C 60 171.232 171.232 174.687 -3.455 25830 10284 1 20 . 1 1 60 60 SER CA C 60 55.817 55.817 59.452 -3.635 25830 10285 1 20 . 1 1 60 60 SER CB C 60 61.793 61.793 63.543 -1.750 25830 10286 1 20 . 1 1 60 60 SER H H 60 7.570 7.570 7.691 -0.121 25830 10287 1 20 . 1 1 61 61 ILE N N 61 125.096 125.096 123.953 1.143 25830 10288 1 20 . 1 1 61 61 ILE HA H 61 4.272 4.272 4.330 -0.058 25830 10289 1 20 . 1 1 61 61 ILE C C 61 170.966 170.966 174.425 -3.459 25830 10290 1 20 . 1 1 61 61 ILE CA C 61 56.364 56.364 58.735 -2.371 25830 10291 1 20 . 1 1 61 61 ILE CB C 61 36.307 36.307 37.938 -1.631 25830 10292 1 20 . 1 1 61 61 ILE H H 61 7.222 7.222 7.615 -0.393 25830 10293 1 20 . 1 1 62 62 PRO HA H 62 4.317 4.317 4.453 -0.136 25830 10294 1 20 . 1 1 62 62 PRO C C 62 173.935 173.935 176.328 -2.393 25830 10295 1 20 . 1 1 62 62 PRO CA C 62 60.634 60.634 63.394 -2.760 25830 10296 1 20 . 1 1 62 62 PRO CB C 62 29.399 29.399 31.525 -2.126 25830 10297 1 20 . 1 1 63 63 LYS N N 63 115.837 115.837 117.601 -1.764 25830 10298 1 20 . 1 1 63 63 LYS HA H 63 3.916 3.916 3.874 0.042 25830 10299 1 20 . 1 1 63 63 LYS C C 63 172.800 172.800 176.266 -3.466 25830 10300 1 20 . 1 1 63 63 LYS CA C 63 53.303 53.303 56.284 -2.981 25830 10301 1 20 . 1 1 63 63 LYS CB C 63 26.973 26.973 29.802 -2.829 25830 10302 1 20 . 1 1 63 63 LYS H H 63 8.584 8.584 8.540 0.044 25830 10303 1 20 . 1 1 64 64 LEU N N 64 118.672 118.672 120.230 -1.558 25830 10304 1 20 . 1 1 64 64 LEU HA H 64 3.625 3.625 4.354 -0.729 25830 10305 1 20 . 1 1 64 64 LEU C C 64 173.690 173.690 177.519 -3.829 25830 10306 1 20 . 1 1 64 64 LEU CA C 64 53.929 53.929 55.781 -1.852 25830 10307 1 20 . 1 1 64 64 LEU CB C 64 39.878 39.878 42.157 -2.279 25830 10308 1 20 . 1 1 64 64 LEU H H 64 7.116 7.116 7.578 -0.462 25830 10309 1 20 . 1 1 65 65 ASN N N 65 125.562 125.562 121.837 3.725 25830 10310 1 20 . 1 1 65 65 ASN HA H 65 4.879 4.879 5.025 -0.146 25830 10311 1 20 . 1 1 65 65 ASN C C 65 174.338 174.338 175.646 -1.308 25830 10312 1 20 . 1 1 65 65 ASN CA C 65 48.862 48.862 52.112 -3.250 25830 10313 1 20 . 1 1 65 65 ASN CB C 65 34.238 34.238 39.636 -5.399 25830 10314 1 20 . 1 1 65 65 ASN H H 65 9.348 9.348 8.167 1.181 25830 10315 1 20 . 1 1 66 66 THR N N 66 118.448 118.448 117.238 1.210 25830 10316 1 20 . 1 1 66 66 THR HA H 66 3.840 3.840 3.982 -0.142 25830 10317 1 20 . 1 1 66 66 THR C C 66 174.820 174.820 175.581 -0.761 25830 10318 1 20 . 1 1 66 66 THR CA C 66 62.576 62.576 65.034 -2.458 25830 10319 1 20 . 1 1 66 66 THR CB C 66 65.348 65.348 68.954 -3.606 25830 10320 1 20 . 1 1 66 66 THR H H 66 8.735 8.735 8.650 0.085 25830 10321 1 20 . 1 1 67 67 ASN N N 67 121.545 121.545 118.851 2.694 25830 10322 1 20 . 1 1 67 67 ASN HA H 67 4.460 4.460 4.473 -0.013 25830 10323 1 20 . 1 1 67 67 ASN C C 67 174.825 174.825 177.391 -2.566 25830 10324 1 20 . 1 1 67 67 ASN CA C 67 53.781 53.781 56.131 -2.350 25830 10325 1 20 . 1 1 67 67 ASN CB C 67 35.495 35.495 38.165 -2.670 25830 10326 1 20 . 1 1 67 67 ASN H H 67 8.229 8.229 8.416 -0.187 25830 10327 1 20 . 1 1 68 68 ASN N N 68 122.399 122.399 118.438 3.961 25830 10328 1 20 . 1 1 68 68 ASN HA H 68 4.463 4.463 4.475 -0.012 25830 10329 1 20 . 1 1 68 68 ASN C C 68 175.357 175.357 176.131 -0.774 25830 10330 1 20 . 1 1 68 68 ASN CA C 68 52.009 52.009 55.734 -3.725 25830 10331 1 20 . 1 1 68 68 ASN CB C 68 32.853 32.853 38.139 -5.285 25830 10332 1 20 . 1 1 68 68 ASN H H 68 7.153 7.153 7.872 -0.719 25830 10333 1 20 . 1 1 69 69 ALA N N 69 123.588 123.588 119.127 4.461 25830 10334 1 20 . 1 1 69 69 ALA HA H 69 3.930 3.930 4.207 -0.277 25830 10335 1 20 . 1 1 69 69 ALA C C 69 175.919 175.919 178.345 -2.426 25830 10336 1 20 . 1 1 69 69 ALA CA C 69 53.087 53.087 54.259 -1.172 25830 10337 1 20 . 1 1 69 69 ALA CB C 69 14.867 14.867 18.488 -3.621 25830 10338 1 20 . 1 1 69 69 ALA H H 69 7.942 7.942 7.432 0.510 25830 10339 1 20 . 1 1 70 70 ALA N N 70 117.736 117.736 119.461 -1.725 25830 10340 1 20 . 1 1 70 70 ALA HA H 70 4.250 4.250 4.363 -0.113 25830 10341 1 20 . 1 1 70 70 ALA C C 70 176.704 176.704 178.595 -1.891 25830 10342 1 20 . 1 1 70 70 ALA CA C 70 51.706 51.706 54.290 -2.584 25830 10343 1 20 . 1 1 70 70 ALA CB C 70 15.507 15.507 19.323 -3.816 25830 10344 1 20 . 1 1 70 70 ALA H H 70 7.574 7.574 7.411 0.163 25830 10345 1 20 . 1 1 71 71 ALA N N 71 117.858 117.858 120.703 -2.845 25830 10346 1 20 . 1 1 71 71 ALA HA H 71 4.321 4.321 4.401 -0.080 25830 10347 1 20 . 1 1 71 71 ALA C C 71 175.190 175.190 179.164 -3.974 25830 10348 1 20 . 1 1 71 71 ALA CA C 71 50.142 50.142 53.568 -3.426 25830 10349 1 20 . 1 1 71 71 ALA CB C 71 16.908 16.908 18.327 -1.419 25830 10350 1 20 . 1 1 71 71 ALA H H 71 7.676 7.676 7.479 0.197 25830 10351 1 20 . 1 1 72 72 LEU N N 72 117.566 117.566 121.818 -4.252 25830 10352 1 20 . 1 1 72 72 LEU HA H 72 4.097 4.097 3.772 0.325 25830 10353 1 20 . 1 1 72 72 LEU C C 72 170.406 170.406 175.353 -4.947 25830 10354 1 20 . 1 1 72 72 LEU CA C 72 57.688 57.688 59.947 -2.259 25830 10355 1 20 . 1 1 72 72 LEU CB C 72 36.632 36.632 40.093 -3.461 25830 10356 1 20 . 1 1 72 72 LEU H H 72 7.494 7.494 7.752 -0.258 25830 10357 1 20 . 1 1 73 73 PRO HA H 73 3.793 3.793 4.279 -0.486 25830 10358 1 20 . 1 1 73 73 PRO C C 73 176.416 176.416 179.052 -2.636 25830 10359 1 20 . 1 1 73 73 PRO CA C 73 64.431 64.431 65.585 -1.154 25830 10360 1 20 . 1 1 73 73 PRO CB C 73 27.928 27.928 30.863 -2.935 25830 10361 1 20 . 1 1 74 74 GLY N N 74 106.170 106.170 107.506 -1.336 25830 10362 1 20 . 1 1 74 74 GLY C C 74 176.081 176.081 177.132 -1.051 25830 10363 1 20 . 1 1 74 74 GLY CA C 74 44.577 44.577 46.999 -2.422 25830 10364 1 20 . 1 1 74 74 GLY H H 74 8.374 8.374 7.939 0.435 25830 10365 1 20 . 1 1 75 75 LYS N N 75 121.379 121.379 120.690 0.689 25830 10366 1 20 . 1 1 75 75 LYS HA H 75 4.162 4.162 4.078 0.084 25830 10367 1 20 . 1 1 75 75 LYS C C 75 175.735 175.735 177.841 -2.106 25830 10368 1 20 . 1 1 75 75 LYS CA C 75 56.053 56.053 58.768 -2.715 25830 10369 1 20 . 1 1 75 75 LYS CB C 75 30.087 30.087 31.944 -1.857 25830 10370 1 20 . 1 1 75 75 LYS H H 75 8.417 8.417 8.572 -0.155 25830 10371 1 20 . 1 1 76 76 CYS N N 76 115.021 115.021 114.187 0.834 25830 10372 1 20 . 1 1 76 76 CYS HA H 76 4.895 4.895 4.521 0.374 25830 10373 1 20 . 1 1 76 76 CYS C C 76 172.300 172.300 175.773 -3.473 25830 10374 1 20 . 1 1 76 76 CYS CA C 76 49.730 49.730 59.272 -9.542 25830 10375 1 20 . 1 1 76 76 CYS CB C 76 32.817 32.817 27.449 5.368 25830 10376 1 20 . 1 1 76 76 CYS H H 76 7.756 7.756 8.064 -0.308 25830 10377 1 20 . 1 1 77 77 GLY N N 77 109.352 109.352 107.297 2.055 25830 10378 1 20 . 1 1 77 77 GLY C C 77 171.753 171.753 173.991 -2.238 25830 10379 1 20 . 1 1 77 77 GLY CA C 77 43.794 43.794 44.901 -1.107 25830 10380 1 20 . 1 1 77 77 GLY H H 77 7.894 7.894 7.967 -0.073 25830 10381 1 20 . 1 1 78 78 VAL N N 78 115.528 115.528 117.216 -1.688 25830 10382 1 20 . 1 1 78 78 VAL HA H 78 4.491 4.491 4.362 0.129 25830 10383 1 20 . 1 1 78 78 VAL C C 78 171.256 171.256 174.783 -3.527 25830 10384 1 20 . 1 1 78 78 VAL CA C 78 56.800 56.800 61.811 -5.011 25830 10385 1 20 . 1 1 78 78 VAL CB C 78 31.741 31.741 32.505 -0.764 25830 10386 1 20 . 1 1 78 78 VAL H H 78 8.137 8.137 7.469 0.668 25830 10387 1 20 . 1 1 79 79 SER N N 79 116.418 116.418 119.162 -2.744 25830 10388 1 20 . 1 1 79 79 SER HA H 79 4.583 4.583 4.654 -0.071 25830 10389 1 20 . 1 1 79 79 SER C C 79 170.681 170.681 174.136 -3.455 25830 10390 1 20 . 1 1 79 79 SER CA C 79 54.258 54.258 57.683 -3.425 25830 10391 1 20 . 1 1 79 79 SER CB C 79 61.468 61.468 64.067 -2.599 25830 10392 1 20 . 1 1 79 79 SER H H 79 8.124 8.124 8.226 -0.102 25830 10393 1 20 . 1 1 80 80 ILE N N 80 120.257 120.257 120.681 -0.424 25830 10394 1 20 . 1 1 80 80 ILE HA H 80 4.639 4.639 4.478 0.161 25830 10395 1 20 . 1 1 80 80 ILE C C 80 172.830 172.830 173.936 -1.106 25830 10396 1 20 . 1 1 80 80 ILE CA C 80 55.333 55.333 58.733 -3.400 25830 10397 1 20 . 1 1 80 80 ILE CB C 80 38.093 38.093 38.984 -0.891 25830 10398 1 20 . 1 1 80 80 ILE H H 80 8.089 8.089 7.981 0.108 25830 10399 1 20 . 1 1 81 81 PRO HA H 81 4.547 4.547 4.260 0.287 25830 10400 1 20 . 1 1 81 81 PRO C C 81 171.325 171.325 175.758 -4.433 25830 10401 1 20 . 1 1 81 81 PRO CA C 81 60.903 60.903 64.746 -3.843 25830 10402 1 20 . 1 1 81 81 PRO CB C 81 27.693 27.693 31.986 -4.293 25830 10403 1 20 . 1 1 82 82 TYR N N 82 115.259 115.259 117.034 -1.775 25830 10404 1 20 . 1 1 82 82 TYR HA H 82 4.732 4.732 4.835 -0.103 25830 10405 1 20 . 1 1 82 82 TYR C C 82 170.187 170.187 173.907 -3.720 25830 10406 1 20 . 1 1 82 82 TYR CA C 82 51.930 51.930 54.376 -2.446 25830 10407 1 20 . 1 1 82 82 TYR CB C 82 37.275 37.275 40.605 -3.330 25830 10408 1 20 . 1 1 82 82 TYR H H 82 6.642 6.642 6.929 -0.287 25830 10409 1 20 . 1 1 83 83 LYS N N 83 116.992 116.992 119.358 -2.366 25830 10410 1 20 . 1 1 83 83 LYS HA H 83 4.464 4.464 4.538 -0.074 25830 10411 1 20 . 1 1 83 83 LYS C C 83 174.342 174.342 174.951 -0.609 25830 10412 1 20 . 1 1 83 83 LYS CA C 83 51.653 51.653 55.102 -3.449 25830 10413 1 20 . 1 1 83 83 LYS CB C 83 31.513 31.513 35.218 -3.705 25830 10414 1 20 . 1 1 83 83 LYS H H 83 8.301 8.301 8.363 -0.062 25830 10415 1 20 . 1 1 84 84 ILE N N 84 126.906 126.906 123.115 3.791 25830 10416 1 20 . 1 1 84 84 ILE HA H 84 3.913 3.913 4.263 -0.350 25830 10417 1 20 . 1 1 84 84 ILE C C 84 170.945 170.945 175.128 -4.183 25830 10418 1 20 . 1 1 84 84 ILE CA C 84 59.761 59.761 61.694 -1.933 25830 10419 1 20 . 1 1 84 84 ILE CB C 84 33.534 33.534 37.163 -3.629 25830 10420 1 20 . 1 1 84 84 ILE H H 84 9.304 9.304 8.625 0.679 25830 10421 1 20 . 1 1 85 85 SER N N 85 120.246 120.246 121.382 -1.136 25830 10422 1 20 . 1 1 85 85 SER HA H 85 4.563 4.563 4.842 -0.279 25830 10423 1 20 . 1 1 85 85 SER C C 85 171.695 171.695 174.970 -3.275 25830 10424 1 20 . 1 1 85 85 SER CA C 85 53.394 53.394 57.476 -4.082 25830 10425 1 20 . 1 1 85 85 SER CB C 85 61.638 61.638 66.615 -4.977 25830 10426 1 20 . 1 1 85 85 SER H H 85 7.256 7.256 8.101 -0.845 25830 10427 1 20 . 1 1 86 86 THR N N 86 115.458 115.458 115.111 0.347 25830 10428 1 20 . 1 1 86 86 THR HA H 86 4.147 4.147 4.199 -0.052 25830 10429 1 20 . 1 1 86 86 THR C C 86 172.663 172.663 174.892 -2.229 25830 10430 1 20 . 1 1 86 86 THR CA C 86 61.527 61.527 64.304 -2.777 25830 10431 1 20 . 1 1 86 86 THR CB C 86 65.858 65.858 68.903 -3.045 25830 10432 1 20 . 1 1 86 86 THR H H 86 8.819 8.819 8.608 0.211 25830 10433 1 20 . 1 1 87 87 SER N N 87 114.029 114.029 115.630 -1.601 25830 10434 1 20 . 1 1 87 87 SER HA H 87 4.524 4.524 4.596 -0.072 25830 10435 1 20 . 1 1 87 87 SER C C 87 172.010 172.010 174.571 -2.561 25830 10436 1 20 . 1 1 87 87 SER CA C 87 55.408 55.408 59.093 -3.685 25830 10437 1 20 . 1 1 87 87 SER CB C 87 61.144 61.144 63.733 -2.589 25830 10438 1 20 . 1 1 87 87 SER H H 87 8.239 8.239 7.971 0.268 25830 10439 1 20 . 1 1 88 88 THR N N 88 120.831 120.831 119.337 1.494 25830 10440 1 20 . 1 1 88 88 THR HA H 88 3.808 3.808 4.314 -0.506 25830 10441 1 20 . 1 1 88 88 THR C C 88 181.273 181.273 173.718 7.555 25830 10442 1 20 . 1 1 88 88 THR CA C 88 61.409 61.409 62.781 -1.372 25830 10443 1 20 . 1 1 88 88 THR CB C 88 67.556 67.556 69.547 -1.991 25830 10444 1 20 . 1 1 88 88 THR H H 88 7.142 7.142 7.188 -0.046 25830 10445 1 20 . 1 1 89 89 ASN N N 89 124.818 124.818 124.852 -0.034 25830 10446 1 20 . 1 1 89 89 ASN HA H 89 4.819 4.819 4.724 0.095 25830 10447 1 20 . 1 1 89 89 ASN C C 89 173.325 173.325 174.908 -1.583 25830 10448 1 20 . 1 1 89 89 ASN CA C 89 48.483 48.483 52.788 -4.305 25830 10449 1 20 . 1 1 89 89 ASN CB C 89 34.958 34.958 38.864 -3.906 25830 10450 1 20 . 1 1 89 89 ASN H H 89 8.754 8.754 8.658 0.096 25830 10451 1 20 . 1 1 90 90 CYS N N 90 123.361 123.361 123.240 0.121 25830 10452 1 20 . 1 1 90 90 CYS HA H 90 4.174 4.174 4.034 0.140 25830 10453 1 20 . 1 1 90 90 CYS C C 90 172.573 172.573 176.011 -3.438 25830 10454 1 20 . 1 1 90 90 CYS CA C 90 54.158 54.158 60.736 -6.578 25830 10455 1 20 . 1 1 90 90 CYS CB C 90 36.687 36.687 26.234 10.453 25830 10456 1 20 . 1 1 90 90 CYS H H 90 8.790 8.790 8.406 0.384 25830 10457 1 20 . 1 1 91 91 ASN N N 91 115.199 115.199 115.525 -0.326 25830 10458 1 20 . 1 1 91 91 ASN HA H 91 4.578 4.578 4.514 0.064 25830 10459 1 20 . 1 1 91 91 ASN C C 91 173.584 173.584 176.228 -2.644 25830 10460 1 20 . 1 1 91 91 ASN CA C 91 52.264 52.264 54.509 -2.245 25830 10461 1 20 . 1 1 91 91 ASN CB C 91 35.690 35.690 38.213 -2.523 25830 10462 1 20 . 1 1 91 91 ASN H H 91 8.320 8.320 8.660 -0.340 25830 10463 1 20 . 1 1 92 92 THR N N 92 107.497 107.497 112.046 -4.549 25830 10464 1 20 . 1 1 92 92 THR HA H 92 4.388 4.388 4.274 0.114 25830 10465 1 20 . 1 1 92 92 THR C C 92 171.702 171.702 175.369 -3.667 25830 10466 1 20 . 1 1 92 92 THR CA C 92 58.280 58.280 62.262 -3.982 25830 10467 1 20 . 1 1 92 92 THR CB C 92 66.107 66.107 69.068 -2.961 25830 10468 1 20 . 1 1 92 92 THR H H 92 7.338 7.338 7.628 -0.290 25830 10469 1 20 . 1 1 93 93 VAL N N 93 123.151 123.151 122.386 0.765 25830 10470 1 20 . 1 1 93 93 VAL HA H 93 3.667 3.667 3.873 -0.206 25830 10471 1 20 . 1 1 93 93 VAL C C 93 172.207 172.207 176.022 -3.815 25830 10472 1 20 . 1 1 93 93 VAL CA C 93 59.846 59.846 63.932 -4.086 25830 10473 1 20 . 1 1 93 93 VAL CB C 93 29.999 29.999 32.320 -2.321 25830 10474 1 20 . 1 1 93 93 VAL H H 93 6.806 6.806 7.278 -0.472 25830 10475 1 20 . 1 1 94 94 ARG N N 94 127.129 127.129 125.396 1.733 25830 10476 1 20 . 1 1 94 94 ARG HA H 94 4.339 4.339 4.349 -0.010 25830 10477 1 20 . 1 1 94 94 ARG C C 94 171.859 171.859 176.667 -4.808 25830 10478 1 20 . 1 1 94 94 ARG CA C 94 52.395 52.395 56.317 -3.922 25830 10479 1 20 . 1 1 94 94 ARG CB C 94 26.973 26.973 30.655 -3.682 25830 10480 1 20 . 1 1 94 94 ARG H H 94 8.201 8.201 8.506 -0.305 25830 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 83 2.426 0.105 2.438 25830 2 1 1 "Average Difference" HA 98 0.227 -0.001 0.228 25830 3 1 1 "Average Difference" C 89 3.141 2.493 1.922 25830 4 1 1 "Average Difference" CA 93 3.476 2.958 1.836 25830 5 1 1 "Average Difference" CB 88 3.815 1.971 3.285 25830 6 1 1 "Average Difference" HN 83 0.498 -0.161 0.475 25830 7 1 2 "Average Difference" N 83 2.381 -0.003 2.395 25830 8 1 2 "Average Difference" HA 98 0.230 0.014 0.230 25830 9 1 2 "Average Difference" C 89 3.129 2.491 1.904 25830 10 1 2 "Average Difference" CA 93 3.382 2.893 1.762 25830 11 1 2 "Average Difference" CB 88 3.849 1.941 3.342 25830 12 1 2 "Average Difference" HN 83 0.478 -0.161 0.453 25830 13 1 3 "Average Difference" N 83 2.363 0.044 2.377 25830 14 1 3 "Average Difference" HA 98 0.228 0.000 0.230 25830 15 1 3 "Average Difference" C 89 3.125 2.468 1.928 25830 16 1 3 "Average Difference" CA 93 3.533 3.003 1.871 25830 17 1 3 "Average Difference" CB 88 3.826 1.946 3.313 25830 18 1 3 "Average Difference" HN 83 0.488 -0.132 0.473 25830 19 1 4 "Average Difference" N 83 2.524 0.131 2.536 25830 20 1 4 "Average Difference" HA 98 0.234 0.017 0.234 25830 21 1 4 "Average Difference" C 89 3.144 2.483 1.939 25830 22 1 4 "Average Difference" CA 93 3.385 2.919 1.723 25830 23 1 4 "Average Difference" CB 88 3.844 1.984 3.311 25830 24 1 4 "Average Difference" HN 83 0.502 -0.153 0.481 25830 25 1 5 "Average Difference" N 83 2.414 0.194 2.420 25830 26 1 5 "Average Difference" HA 98 0.236 -0.010 0.237 25830 27 1 5 "Average Difference" C 89 3.180 2.502 1.973 25830 28 1 5 "Average Difference" CA 93 3.500 2.953 1.890 25830 29 1 5 "Average Difference" CB 88 3.772 1.951 3.247 25830 30 1 5 "Average Difference" HN 83 0.509 -0.166 0.485 25830 31 1 6 "Average Difference" N 83 2.382 -0.166 2.391 25830 32 1 6 "Average Difference" HA 98 0.226 0.003 0.227 25830 33 1 6 "Average Difference" C 89 3.163 2.508 1.938 25830 34 1 6 "Average Difference" CA 93 3.552 2.969 1.960 25830 35 1 6 "Average Difference" CB 88 3.804 1.991 3.260 25830 36 1 6 "Average Difference" HN 83 0.490 -0.137 0.473 25830 37 1 7 "Average Difference" N 83 2.498 -0.028 2.513 25830 38 1 7 "Average Difference" HA 98 0.224 0.012 0.225 25830 39 1 7 "Average Difference" C 89 3.102 2.475 1.879 25830 40 1 7 "Average Difference" CA 93 3.496 2.952 1.883 25830 41 1 7 "Average Difference" CB 88 3.833 1.956 3.315 25830 42 1 7 "Average Difference" HN 83 0.476 -0.152 0.454 25830 43 1 8 "Average Difference" N 83 2.363 0.094 2.376 25830 44 1 8 "Average Difference" HA 98 0.223 0.005 0.224 25830 45 1 8 "Average Difference" C 89 3.161 2.495 1.952 25830 46 1 8 "Average Difference" CA 93 3.485 2.963 1.844 25830 47 1 8 "Average Difference" CB 88 3.816 1.928 3.312 25830 48 1 8 "Average Difference" HN 83 0.498 -0.127 0.484 25830 49 1 9 "Average Difference" N 83 2.636 -0.142 2.648 25830 50 1 9 "Average Difference" HA 98 0.229 0.004 0.230 25830 51 1 9 "Average Difference" C 89 3.180 2.529 1.939 25830 52 1 9 "Average Difference" CA 93 3.549 3.039 1.842 25830 53 1 9 "Average Difference" CB 88 3.764 1.879 3.280 25830 54 1 9 "Average Difference" HN 83 0.505 -0.114 0.495 25830 55 1 10 "Average Difference" N 83 2.304 0.012 2.318 25830 56 1 10 "Average Difference" HA 98 0.225 0.005 0.226 25830 57 1 10 "Average Difference" C 89 3.158 2.525 1.907 25830 58 1 10 "Average Difference" CA 93 3.469 2.960 1.818 25830 59 1 10 "Average Difference" CB 88 3.808 1.909 3.314 25830 60 1 10 "Average Difference" HN 83 0.496 -0.143 0.477 25830 61 1 11 "Average Difference" N 83 2.475 -0.030 2.490 25830 62 1 11 "Average Difference" HA 98 0.232 0.004 0.233 25830 63 1 11 "Average Difference" C 89 3.204 2.515 1.996 25830 64 1 11 "Average Difference" CA 93 3.580 3.078 1.837 25830 65 1 11 "Average Difference" CB 88 3.844 1.953 3.330 25830 66 1 11 "Average Difference" HN 83 0.509 -0.110 0.500 25830 67 1 12 "Average Difference" N 83 2.473 0.059 2.487 25830 68 1 12 "Average Difference" HA 98 0.235 0.000 0.236 25830 69 1 12 "Average Difference" C 89 3.193 2.480 2.024 25830 70 1 12 "Average Difference" CA 93 3.580 3.066 1.859 25830 71 1 12 "Average Difference" CB 88 3.799 1.927 3.293 25830 72 1 12 "Average Difference" HN 83 0.506 -0.139 0.489 25830 73 1 13 "Average Difference" N 83 2.328 0.098 2.340 25830 74 1 13 "Average Difference" HA 98 0.231 -0.016 0.232 25830 75 1 13 "Average Difference" C 89 3.222 2.579 1.942 25830 76 1 13 "Average Difference" CA 93 3.555 3.037 1.859 25830 77 1 13 "Average Difference" CB 88 3.815 1.923 3.314 25830 78 1 13 "Average Difference" HN 83 0.486 -0.133 0.470 25830 79 1 14 "Average Difference" N 83 2.587 -0.004 2.602 25830 80 1 14 "Average Difference" HA 98 0.240 -0.010 0.241 25830 81 1 14 "Average Difference" C 89 3.228 2.531 2.015 25830 82 1 14 "Average Difference" CA 93 3.533 3.016 1.850 25830 83 1 14 "Average Difference" CB 88 3.809 1.940 3.297 25830 84 1 14 "Average Difference" HN 83 0.511 -0.121 0.500 25830 85 1 15 "Average Difference" N 83 2.560 -0.134 2.572 25830 86 1 15 "Average Difference" HA 98 0.214 0.000 0.215 25830 87 1 15 "Average Difference" C 89 3.178 2.519 1.949 25830 88 1 15 "Average Difference" CA 93 3.469 2.980 1.786 25830 89 1 15 "Average Difference" CB 88 3.836 1.901 3.351 25830 90 1 15 "Average Difference" HN 83 0.503 -0.160 0.480 25830 91 1 16 "Average Difference" N 83 2.342 0.095 2.354 25830 92 1 16 "Average Difference" HA 98 0.228 0.009 0.229 25830 93 1 16 "Average Difference" C 89 3.153 2.483 1.954 25830 94 1 16 "Average Difference" CA 93 3.540 3.017 1.863 25830 95 1 16 "Average Difference" CB 88 3.817 1.949 3.301 25830 96 1 16 "Average Difference" HN 83 0.474 -0.147 0.453 25830 97 1 17 "Average Difference" N 83 2.513 0.021 2.529 25830 98 1 17 "Average Difference" HA 98 0.222 0.002 0.223 25830 99 1 17 "Average Difference" C 89 3.202 2.548 1.950 25830 100 1 17 "Average Difference" CA 93 3.527 3.012 1.844 25830 101 1 17 "Average Difference" CB 88 3.820 1.983 3.284 25830 102 1 17 "Average Difference" HN 83 0.487 -0.119 0.475 25830 103 1 18 "Average Difference" N 83 2.324 0.090 2.337 25830 104 1 18 "Average Difference" HA 98 0.235 -0.007 0.236 25830 105 1 18 "Average Difference" C 89 3.139 2.477 1.939 25830 106 1 18 "Average Difference" CA 93 3.523 2.995 1.865 25830 107 1 18 "Average Difference" CB 88 3.830 1.962 3.308 25830 108 1 18 "Average Difference" HN 83 0.453 -0.105 0.444 25830 109 1 19 "Average Difference" N 83 2.564 -0.120 2.577 25830 110 1 19 "Average Difference" HA 98 0.231 0.004 0.232 25830 111 1 19 "Average Difference" C 89 3.159 2.504 1.938 25830 112 1 19 "Average Difference" CA 93 3.524 3.005 1.851 25830 113 1 19 "Average Difference" CB 88 3.824 1.964 3.300 25830 114 1 19 "Average Difference" HN 83 0.510 -0.101 0.503 25830 115 1 20 "Average Difference" N 83 2.327 0.012 2.341 25830 116 1 20 "Average Difference" HA 98 0.237 0.004 0.238 25830 117 1 20 "Average Difference" C 89 3.203 2.508 2.004 25830 118 1 20 "Average Difference" CA 93 3.595 3.098 1.834 25830 119 1 20 "Average Difference" CB 88 3.836 1.987 3.300 25830 120 1 20 "Average Difference" HN 83 0.474 -0.119 0.462 25830 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 25830 _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 LEU N N 2 123.438 123.438 122.138 1.300 25830 2 1 . 1 1 2 2 LEU HA H 2 4.344 4.344 4.620 -0.276 25830 3 1 . 1 1 2 2 LEU C C 2 172.388 172.388 176.032 -3.644 25830 4 1 . 1 1 2 2 LEU CA C 2 52.560 52.560 55.075 -2.515 25830 5 1 . 1 1 2 2 LEU CB C 2 40.603 40.603 42.792 -2.189 25830 6 1 . 1 1 2 2 LEU H H 2 8.368 8.368 8.374 -0.006 25830 7 1 . 1 1 3 3 SER N N 3 119.868 119.868 118.988 0.880 25830 8 1 . 1 1 3 3 SER HA H 3 4.748 4.748 4.682 0.066 25830 9 1 . 1 1 3 3 SER C C 3 173.163 173.163 175.630 -2.467 25830 10 1 . 1 1 3 3 SER CA C 3 53.523 53.523 57.088 -3.565 25830 11 1 . 1 1 3 3 SER CB C 3 62.412 62.412 65.347 -2.935 25830 12 1 . 1 1 3 3 SER H H 3 8.550 8.550 8.313 0.237 25830 13 1 . 1 1 4 4 CYS N N 4 120.408 120.408 125.418 -5.010 25830 14 1 . 1 1 4 4 CYS HA H 4 4.586 4.586 4.284 0.302 25830 15 1 . 1 1 4 4 CYS C C 4 175.067 175.067 177.032 -1.965 25830 16 1 . 1 1 4 4 CYS CA C 4 52.166 52.166 60.942 -8.776 25830 17 1 . 1 1 4 4 CYS CB C 4 30.372 30.372 26.844 3.528 25830 18 1 . 1 1 4 4 CYS H H 4 9.222 9.222 9.057 0.165 25830 19 1 . 1 1 5 5 GLY N N 5 110.663 110.663 107.081 3.582 25830 20 1 . 1 1 5 5 GLY C C 5 174.023 174.023 175.380 -1.357 25830 21 1 . 1 1 5 5 GLY CA C 5 44.577 44.577 47.354 -2.777 25830 22 1 . 1 1 5 5 GLY H H 5 8.721 8.721 8.261 0.460 25830 23 1 . 1 1 6 6 THR N N 6 118.884 118.884 116.090 2.794 25830 24 1 . 1 1 6 6 THR HA H 6 4.031 4.031 4.420 -0.389 25830 25 1 . 1 1 6 6 THR C C 6 172.782 172.782 176.377 -3.595 25830 26 1 . 1 1 6 6 THR CA C 6 62.801 62.801 64.402 -1.601 25830 27 1 . 1 1 6 6 THR CB C 6 65.896 65.896 69.490 -3.594 25830 28 1 . 1 1 6 6 THR H H 6 7.676 7.676 7.747 -0.071 25830 29 1 . 1 1 7 7 VAL N N 7 120.789 120.789 123.091 -2.302 25830 30 1 . 1 1 7 7 VAL HA H 7 3.607 3.607 3.756 -0.149 25830 31 1 . 1 1 7 7 VAL C C 7 174.356 174.356 177.883 -3.527 25830 32 1 . 1 1 7 7 VAL CA C 7 63.774 63.774 66.011 -2.237 25830 33 1 . 1 1 7 7 VAL CB C 7 28.610 28.610 31.178 -2.568 25830 34 1 . 1 1 7 7 VAL H H 7 7.280 7.280 7.456 -0.176 25830 35 1 . 1 1 8 8 SER N N 8 114.047 114.047 115.174 -1.127 25830 36 1 . 1 1 8 8 SER HA H 8 3.858 3.858 4.111 -0.253 25830 37 1 . 1 1 8 8 SER C C 8 173.948 173.948 175.875 -1.927 25830 38 1 . 1 1 8 8 SER CA C 8 59.791 59.791 61.381 -1.590 25830 39 1 . 1 1 8 8 SER CB C 8 59.242 59.242 62.837 -3.595 25830 40 1 . 1 1 8 8 SER H H 8 8.501 8.501 8.038 0.463 25830 41 1 . 1 1 9 9 ALA N N 9 123.669 123.669 123.019 0.650 25830 42 1 . 1 1 9 9 ALA HA H 9 4.165 4.165 4.116 0.049 25830 43 1 . 1 1 9 9 ALA C C 9 177.740 177.740 178.914 -1.174 25830 44 1 . 1 1 9 9 ALA CA C 9 52.218 52.218 54.633 -2.415 25830 45 1 . 1 1 9 9 ALA CB C 9 15.348 15.348 18.319 -2.970 25830 46 1 . 1 1 9 9 ALA H H 9 7.685 7.685 7.523 0.162 25830 47 1 . 1 1 10 10 ASP N N 10 118.653 118.653 117.155 1.498 25830 48 1 . 1 1 10 10 ASP HA H 10 4.414 4.414 4.506 -0.092 25830 49 1 . 1 1 10 10 ASP C C 10 173.327 173.327 177.631 -4.304 25830 50 1 . 1 1 10 10 ASP CA C 10 53.357 53.357 56.146 -2.789 25830 51 1 . 1 1 10 10 ASP CB C 10 35.579 35.579 41.086 -5.507 25830 52 1 . 1 1 10 10 ASP H H 10 8.161 8.161 7.937 0.223 25830 53 1 . 1 1 11 11 LEU N N 11 115.104 115.104 119.724 -4.620 25830 54 1 . 1 1 11 11 LEU HA H 11 4.183 4.183 4.246 -0.063 25830 55 1 . 1 1 11 11 LEU C C 11 175.206 175.206 178.100 -2.894 25830 56 1 . 1 1 11 11 LEU CA C 11 51.360 51.360 56.188 -4.827 25830 57 1 . 1 1 11 11 LEU CB C 11 40.185 40.185 41.689 -1.504 25830 58 1 . 1 1 11 11 LEU H H 11 7.731 7.731 7.423 0.308 25830 59 1 . 1 1 12 12 ALA N N 12 124.133 124.133 123.160 0.973 25830 60 1 . 1 1 12 12 ALA HA H 12 4.309 4.309 4.117 0.192 25830 61 1 . 1 1 12 12 ALA C C 12 174.540 174.540 177.156 -2.616 25830 62 1 . 1 1 12 12 ALA CA C 12 54.075 54.075 56.713 -2.638 25830 63 1 . 1 1 12 12 ALA CB C 12 13.256 13.256 16.271 -3.015 25830 64 1 . 1 1 12 12 ALA H H 12 7.481 7.481 7.945 -0.464 25830 65 1 . 1 1 13 13 PRO HA H 13 4.674 4.674 4.476 0.198 25830 66 1 . 1 1 13 13 PRO C C 13 174.824 174.824 176.618 -1.794 25830 67 1 . 1 1 13 13 PRO CA C 13 61.982 61.982 64.461 -2.479 25830 68 1 . 1 1 13 13 PRO CB C 13 28.804 28.804 31.254 -2.450 25830 69 1 . 1 1 14 14 CYS N N 14 114.225 114.225 116.822 -2.597 25830 70 1 . 1 1 14 14 CYS HA H 14 4.722 4.722 4.702 0.020 25830 71 1 . 1 1 14 14 CYS C C 14 172.376 172.376 176.651 -4.275 25830 72 1 . 1 1 14 14 CYS CA C 14 51.481 51.481 59.868 -8.387 25830 73 1 . 1 1 14 14 CYS CB C 14 39.508 39.508 27.443 12.065 25830 74 1 . 1 1 14 14 CYS H H 14 8.938 8.938 7.641 1.297 25830 75 1 . 1 1 15 15 VAL N N 15 122.488 122.488 122.469 0.019 25830 76 1 . 1 1 15 15 VAL HA H 15 3.350 3.350 3.586 -0.236 25830 77 1 . 1 1 15 15 VAL C C 15 173.644 173.644 177.565 -3.921 25830 78 1 . 1 1 15 15 VAL CA C 15 66.608 66.608 67.036 -0.428 25830 79 1 . 1 1 15 15 VAL CB C 15 28.692 28.692 31.377 -2.685 25830 80 1 . 1 1 15 15 VAL H H 15 7.767 7.767 8.001 -0.234 25830 81 1 . 1 1 16 16 THR N N 16 112.169 112.169 114.300 -2.131 25830 82 1 . 1 1 16 16 THR HA H 16 4.012 4.012 3.938 0.074 25830 83 1 . 1 1 16 16 THR C C 16 175.021 175.021 176.168 -1.147 25830 84 1 . 1 1 16 16 THR CA C 16 63.879 63.879 66.247 -2.368 25830 85 1 . 1 1 16 16 THR CB C 16 65.364 65.364 68.873 -3.509 25830 86 1 . 1 1 16 16 THR H H 16 8.258 8.258 8.092 0.166 25830 87 1 . 1 1 17 17 TYR N N 17 124.563 124.563 121.105 3.458 25830 88 1 . 1 1 17 17 TYR HA H 17 4.265 4.265 4.318 -0.053 25830 89 1 . 1 1 17 17 TYR C C 17 174.326 174.326 177.696 -3.370 25830 90 1 . 1 1 17 17 TYR CA C 17 58.001 58.001 60.244 -2.243 25830 91 1 . 1 1 17 17 TYR CB C 17 35.252 35.252 38.208 -2.956 25830 92 1 . 1 1 17 17 TYR H H 17 8.280 8.280 8.084 0.196 25830 93 1 . 1 1 18 18 LEU N N 18 119.213 119.213 118.924 0.289 25830 94 1 . 1 1 18 18 LEU HA H 18 3.630 3.630 3.709 -0.079 25830 95 1 . 1 1 18 18 LEU C C 18 172.858 172.858 178.355 -5.497 25830 96 1 . 1 1 18 18 LEU CA C 18 54.171 54.171 57.093 -2.922 25830 97 1 . 1 1 18 18 LEU CB C 18 38.310 38.310 41.590 -3.280 25830 98 1 . 1 1 18 18 LEU H H 18 8.394 8.394 7.958 0.436 25830 99 1 . 1 1 19 19 GLN N N 19 114.782 114.782 114.521 0.261 25830 100 1 . 1 1 19 19 GLN HA H 19 4.582 4.582 4.358 0.224 25830 101 1 . 1 1 19 19 GLN C C 19 172.754 172.754 175.822 -3.068 25830 102 1 . 1 1 19 19 GLN CA C 19 52.320 52.320 55.516 -3.196 25830 103 1 . 1 1 19 19 GLN CB C 19 27.954 27.954 29.425 -1.470 25830 104 1 . 1 1 19 19 GLN H H 19 7.319 7.319 7.565 -0.246 25830 105 1 . 1 1 20 20 ALA N N 20 126.473 126.473 123.642 2.831 25830 106 1 . 1 1 20 20 ALA HA H 20 4.494 4.494 4.577 -0.083 25830 107 1 . 1 1 20 20 ALA C C 20 171.072 171.072 175.429 -4.357 25830 108 1 . 1 1 20 20 ALA CA C 20 48.862 48.862 50.077 -1.215 25830 109 1 . 1 1 20 20 ALA CB C 20 15.610 15.610 18.646 -3.036 25830 110 1 . 1 1 20 20 ALA H H 20 7.292 7.292 7.242 0.050 25830 111 1 . 1 1 21 21 PRO HA H 21 4.440 4.440 4.444 -0.004 25830 112 1 . 1 1 21 21 PRO C C 21 174.052 174.052 177.128 -3.076 25830 113 1 . 1 1 21 21 PRO CA C 21 59.522 59.522 61.906 -2.384 25830 114 1 . 1 1 21 21 PRO CB C 21 29.853 29.853 32.437 -2.584 25830 115 1 . 1 1 22 22 ASN N N 22 117.448 117.448 117.568 -0.120 25830 116 1 . 1 1 22 22 ASN HA H 22 4.754 4.754 4.539 0.215 25830 117 1 . 1 1 22 22 ASN C C 22 173.299 173.299 176.024 -2.725 25830 118 1 . 1 1 22 22 ASN CA C 22 51.478 51.478 55.409 -3.931 25830 119 1 . 1 1 22 22 ASN CB C 22 35.291 35.291 38.059 -2.768 25830 120 1 . 1 1 22 22 ASN H H 22 8.466 8.466 8.716 -0.250 25830 121 1 . 1 1 23 23 ASN N N 23 113.171 113.171 116.082 -2.911 25830 122 1 . 1 1 23 23 ASN HA H 23 4.555 4.555 4.636 -0.081 25830 123 1 . 1 1 23 23 ASN C C 23 172.210 172.210 174.968 -2.758 25830 124 1 . 1 1 23 23 ASN CA C 23 50.626 50.626 53.390 -2.764 25830 125 1 . 1 1 23 23 ASN CB C 23 34.278 34.278 38.240 -3.962 25830 126 1 . 1 1 23 23 ASN H H 23 8.187 8.187 8.163 0.024 25830 127 1 . 1 1 24 24 ALA N N 24 122.578 122.578 122.600 -0.022 25830 128 1 . 1 1 24 24 ALA HA H 24 4.394 4.394 4.477 -0.083 25830 129 1 . 1 1 24 24 ALA C C 24 173.708 173.708 176.417 -2.709 25830 130 1 . 1 1 24 24 ALA CA C 24 49.696 49.696 52.236 -2.540 25830 131 1 . 1 1 24 24 ALA CB C 24 18.288 18.288 20.127 -1.839 25830 132 1 . 1 1 24 24 ALA H H 24 7.381 7.381 7.560 -0.179 25830 133 1 . 1 1 25 25 SER N N 25 115.237 115.237 115.185 0.052 25830 134 1 . 1 1 25 25 SER HA H 25 4.922 4.922 4.610 0.312 25830 135 1 . 1 1 25 25 SER C C 25 181.107 181.107 172.087 9.020 25830 136 1 . 1 1 25 25 SER CA C 25 53.033 53.033 55.454 -2.421 25830 137 1 . 1 1 25 25 SER CB C 25 61.549 61.549 64.701 -3.151 25830 138 1 . 1 1 25 25 SER H H 25 8.649 8.649 8.316 0.333 25830 139 1 . 1 1 26 26 PRO HA H 26 4.014 4.014 4.244 -0.230 25830 140 1 . 1 1 26 26 PRO CA C 26 57.292 57.292 61.216 -3.924 25830 141 1 . 1 1 26 26 PRO CB C 26 27.450 27.450 30.908 -3.457 25830 142 1 . 1 1 27 27 PRO HA H 27 4.881 4.881 4.665 0.216 25830 143 1 . 1 1 27 27 PRO CA C 27 58.500 58.500 61.013 -2.513 25830 144 1 . 1 1 27 27 PRO CB C 27 28.489 28.489 31.108 -2.619 25830 145 1 . 1 1 28 28 PRO HA H 28 4.421 4.421 4.244 0.178 25830 146 1 . 1 1 28 28 PRO CA C 28 64.505 64.505 66.771 -2.266 25830 147 1 . 1 1 28 28 PRO CB C 28 26.217 26.217 29.611 -3.394 25830 148 1 . 1 1 29 29 PRO HA H 29 4.477 4.477 4.342 0.135 25830 149 1 . 1 1 29 29 PRO C C 29 177.330 177.330 178.744 -1.414 25830 150 1 . 1 1 29 29 PRO CA C 29 62.883 62.883 65.414 -2.531 25830 151 1 . 1 1 29 29 PRO CB C 29 28.301 28.301 31.108 -2.807 25830 152 1 . 1 1 30 30 CYS N N 30 114.694 114.694 117.788 -3.094 25830 153 1 . 1 1 30 30 CYS HA H 30 4.456 4.456 4.280 0.176 25830 154 1 . 1 1 30 30 CYS C C 30 172.260 172.260 176.820 -4.560 25830 155 1 . 1 1 30 30 CYS CA C 30 55.585 55.585 61.480 -5.895 25830 156 1 . 1 1 30 30 CYS CB C 30 34.602 34.602 25.873 8.729 25830 157 1 . 1 1 30 30 CYS H H 30 7.637 7.637 7.658 -0.021 25830 158 1 . 1 1 31 31 CYS N N 31 116.335 116.335 120.516 -4.181 25830 159 1 . 1 1 31 31 CYS HA H 31 4.607 4.607 4.093 0.514 25830 160 1 . 1 1 31 31 CYS C C 31 174.401 174.401 177.201 -2.800 25830 161 1 . 1 1 31 31 CYS CA C 31 51.858 51.858 63.063 -11.205 25830 162 1 . 1 1 31 31 CYS CB C 31 29.979 29.979 25.710 4.269 25830 163 1 . 1 1 31 31 CYS H H 31 7.083 7.083 8.093 -1.010 25830 164 1 . 1 1 32 32 ALA N N 32 121.738 121.738 121.469 0.269 25830 165 1 . 1 1 32 32 ALA HA H 32 4.070 4.070 3.976 0.094 25830 166 1 . 1 1 32 32 ALA C C 32 177.730 177.730 179.395 -1.665 25830 167 1 . 1 1 32 32 ALA CA C 32 52.557 52.557 55.225 -2.668 25830 168 1 . 1 1 32 32 ALA CB C 32 15.204 15.204 17.988 -2.784 25830 169 1 . 1 1 32 32 ALA H H 32 8.481 8.481 8.029 0.452 25830 170 1 . 1 1 33 33 GLY N N 33 108.715 108.715 106.647 2.068 25830 171 1 . 1 1 33 33 GLY C C 33 172.825 172.825 176.205 -3.380 25830 172 1 . 1 1 33 33 GLY CA C 33 44.748 44.748 47.167 -2.419 25830 173 1 . 1 1 33 33 GLY H H 33 7.683 7.683 7.774 -0.091 25830 174 1 . 1 1 34 34 VAL N N 34 121.079 121.079 121.216 -0.137 25830 175 1 . 1 1 34 34 VAL HA H 34 3.489 3.489 3.662 -0.173 25830 176 1 . 1 1 34 34 VAL C C 34 174.764 174.764 178.479 -3.715 25830 177 1 . 1 1 34 34 VAL CA C 34 63.930 63.930 66.088 -2.158 25830 178 1 . 1 1 34 34 VAL CB C 34 29.037 29.037 31.609 -2.572 25830 179 1 . 1 1 34 34 VAL H H 34 8.085 8.085 7.544 0.541 25830 180 1 . 1 1 35 35 LYS N N 35 117.845 117.845 118.905 -1.060 25830 181 1 . 1 1 35 35 LYS HA H 35 3.814 3.814 4.075 -0.261 25830 182 1 . 1 1 35 35 LYS C C 35 176.677 176.677 178.914 -2.237 25830 183 1 . 1 1 35 35 LYS CA C 35 57.849 57.849 59.101 -1.252 25830 184 1 . 1 1 35 35 LYS CB C 35 29.635 29.635 31.874 -2.239 25830 185 1 . 1 1 35 35 LYS H H 35 8.089 8.089 7.632 0.457 25830 186 1 . 1 1 36 36 LYS N N 36 120.507 120.507 120.541 -0.034 25830 187 1 . 1 1 36 36 LYS HA H 36 3.946 3.946 4.081 -0.135 25830 188 1 . 1 1 36 36 LYS C C 36 176.481 176.481 178.338 -1.857 25830 189 1 . 1 1 36 36 LYS CA C 36 56.889 56.889 58.602 -1.713 25830 190 1 . 1 1 36 36 LYS CB C 36 29.999 29.999 32.137 -2.138 25830 191 1 . 1 1 36 36 LYS H H 36 7.940 7.940 7.741 0.199 25830 192 1 . 1 1 37 37 LEU N N 37 121.929 121.929 120.160 1.769 25830 193 1 . 1 1 37 37 LEU HA H 37 4.012 4.012 3.988 0.024 25830 194 1 . 1 1 37 37 LEU C C 37 175.490 175.490 178.459 -2.969 25830 195 1 . 1 1 37 37 LEU CA C 37 55.567 55.567 57.574 -2.007 25830 196 1 . 1 1 37 37 LEU CB C 37 38.621 38.621 41.348 -2.727 25830 197 1 . 1 1 37 37 LEU H H 37 7.882 7.882 7.521 0.361 25830 198 1 . 1 1 38 38 LEU N N 38 117.061 117.061 119.257 -2.196 25830 199 1 . 1 1 38 38 LEU HA H 38 4.050 4.050 3.975 0.075 25830 200 1 . 1 1 38 38 LEU C C 38 177.275 177.275 178.257 -0.982 25830 201 1 . 1 1 38 38 LEU CA C 38 54.535 54.535 57.781 -3.246 25830 202 1 . 1 1 38 38 LEU CB C 38 38.448 38.448 41.407 -2.959 25830 203 1 . 1 1 38 38 LEU H H 38 7.812 7.812 7.648 0.164 25830 204 1 . 1 1 39 39 ALA N N 39 119.986 119.986 118.558 1.428 25830 205 1 . 1 1 39 39 ALA HA H 39 4.105 4.105 4.267 -0.162 25830 206 1 . 1 1 39 39 ALA C C 39 175.721 175.721 178.066 -2.345 25830 207 1 . 1 1 39 39 ALA CA C 39 50.910 50.910 52.656 -1.746 25830 208 1 . 1 1 39 39 ALA CB C 39 15.545 15.545 19.041 -3.496 25830 209 1 . 1 1 39 39 ALA H H 39 7.914 7.914 7.606 0.308 25830 210 1 . 1 1 40 40 ALA N N 40 118.015 118.015 122.063 -4.048 25830 211 1 . 1 1 40 40 ALA HA H 40 4.266 4.266 4.211 0.055 25830 212 1 . 1 1 40 40 ALA C C 40 174.416 174.416 177.899 -3.483 25830 213 1 . 1 1 40 40 ALA CA C 40 49.886 49.886 53.337 -3.451 25830 214 1 . 1 1 40 40 ALA CB C 40 16.330 16.330 19.417 -3.087 25830 215 1 . 1 1 40 40 ALA H H 40 7.302 7.302 7.537 -0.235 25830 216 1 . 1 1 41 41 ALA N N 41 122.389 122.389 119.538 2.851 25830 217 1 . 1 1 41 41 ALA HA H 41 4.605 4.605 4.249 0.356 25830 218 1 . 1 1 41 41 ALA C C 41 172.709 172.709 177.004 -4.295 25830 219 1 . 1 1 41 41 ALA CA C 41 47.917 47.917 52.208 -4.291 25830 220 1 . 1 1 41 41 ALA CB C 41 15.072 15.072 19.999 -4.927 25830 221 1 . 1 1 41 41 ALA H H 41 7.304 7.304 7.642 -0.338 25830 222 1 . 1 1 42 42 THR N N 42 113.142 113.142 112.775 0.367 25830 223 1 . 1 1 42 42 THR HA H 42 4.422 4.422 4.364 0.058 25830 224 1 . 1 1 42 42 THR C C 42 172.086 172.086 174.978 -2.892 25830 225 1 . 1 1 42 42 THR CA C 42 59.772 59.772 62.871 -3.099 25830 226 1 . 1 1 42 42 THR CB C 42 66.992 66.992 69.426 -2.434 25830 227 1 . 1 1 42 42 THR H H 42 8.663 8.663 8.311 0.352 25830 228 1 . 1 1 43 43 THR N N 43 111.501 111.501 112.426 -0.925 25830 229 1 . 1 1 43 43 THR HA H 43 4.704 4.704 4.564 0.140 25830 230 1 . 1 1 43 43 THR C C 43 172.283 172.283 175.153 -2.870 25830 231 1 . 1 1 43 43 THR CA C 43 56.869 56.869 59.954 -3.085 25830 232 1 . 1 1 43 43 THR CB C 43 69.211 69.211 71.371 -2.160 25830 233 1 . 1 1 43 43 THR H H 43 7.705 7.705 7.496 0.209 25830 234 1 . 1 1 44 44 THR N N 44 119.157 119.157 115.433 3.724 25830 235 1 . 1 1 44 44 THR HA H 44 3.861 3.861 4.275 -0.414 25830 236 1 . 1 1 44 44 THR CA C 44 66.420 66.420 67.132 -0.712 25830 237 1 . 1 1 44 44 THR CB C 44 63.702 63.702 67.153 -3.451 25830 238 1 . 1 1 44 44 THR H H 44 9.305 9.305 8.452 0.853 25830 239 1 . 1 1 45 45 PRO HA H 45 4.345 4.345 4.428 -0.083 25830 240 1 . 1 1 45 45 PRO C C 45 177.238 177.238 178.133 -0.895 25830 241 1 . 1 1 45 45 PRO CA C 45 63.192 63.192 65.048 -1.856 25830 242 1 . 1 1 45 45 PRO CB C 45 28.232 28.232 31.316 -3.084 25830 243 1 . 1 1 46 46 ASP N N 46 117.412 117.412 119.861 -2.449 25830 244 1 . 1 1 46 46 ASP HA H 46 4.571 4.571 4.418 0.153 25830 245 1 . 1 1 46 46 ASP C C 46 175.358 175.358 177.785 -2.427 25830 246 1 . 1 1 46 46 ASP CA C 46 54.436 54.436 56.752 -2.316 25830 247 1 . 1 1 46 46 ASP CB C 46 37.884 37.884 40.396 -2.512 25830 248 1 . 1 1 46 46 ASP H H 46 7.238 7.238 8.152 -0.913 25830 249 1 . 1 1 47 47 ARG N N 47 122.342 122.342 118.477 3.865 25830 250 1 . 1 1 47 47 ARG HA H 47 3.754 3.754 4.025 -0.271 25830 251 1 . 1 1 47 47 ARG C C 47 176.688 176.688 178.522 -1.834 25830 252 1 . 1 1 47 47 ARG CA C 47 57.351 57.351 58.874 -1.523 25830 253 1 . 1 1 47 47 ARG CB C 47 26.606 26.606 29.608 -3.002 25830 254 1 . 1 1 47 47 ARG H H 47 8.383 8.383 7.510 0.873 25830 255 1 . 1 1 48 48 GLN N N 48 120.813 120.813 118.873 1.940 25830 256 1 . 1 1 48 48 GLN HA H 48 3.650 3.650 4.043 -0.393 25830 257 1 . 1 1 48 48 GLN C C 48 175.354 175.354 177.668 -2.314 25830 258 1 . 1 1 48 48 GLN CA C 48 56.742 56.742 58.521 -1.779 25830 259 1 . 1 1 48 48 GLN CB C 48 25.406 25.406 28.326 -2.920 25830 260 1 . 1 1 48 48 GLN H H 48 8.176 8.176 7.729 0.447 25830 261 1 . 1 1 49 49 ALA N N 49 122.476 122.476 121.383 1.093 25830 262 1 . 1 1 49 49 ALA HA H 49 4.224 4.224 3.966 0.258 25830 263 1 . 1 1 49 49 ALA C C 49 177.581 177.581 179.040 -1.459 25830 264 1 . 1 1 49 49 ALA CA C 49 52.410 52.410 54.755 -2.345 25830 265 1 . 1 1 49 49 ALA CB C 49 15.305 15.305 18.025 -2.720 25830 266 1 . 1 1 49 49 ALA H H 49 8.079 8.079 7.566 0.513 25830 267 1 . 1 1 50 50 ALA N N 50 121.104 121.104 120.181 0.923 25830 268 1 . 1 1 50 50 ALA HA H 50 3.686 3.686 3.972 -0.286 25830 269 1 . 1 1 50 50 ALA C C 50 175.478 175.478 178.630 -3.152 25830 270 1 . 1 1 50 50 ALA CA C 50 53.344 53.344 55.169 -1.825 25830 271 1 . 1 1 50 50 ALA CB C 50 14.032 14.032 18.022 -3.990 25830 272 1 . 1 1 50 50 ALA H H 50 8.494 8.494 7.626 0.868 25830 273 1 . 1 1 51 51 CYS N N 51 117.063 117.063 116.523 0.540 25830 274 1 . 1 1 51 51 CYS HA H 51 4.091 4.091 4.186 -0.095 25830 275 1 . 1 1 51 51 CYS C C 51 173.692 173.692 176.523 -2.831 25830 276 1 . 1 1 51 51 CYS CA C 51 57.660 57.660 60.901 -3.241 25830 277 1 . 1 1 51 51 CYS CB C 51 34.278 34.278 25.556 8.722 25830 278 1 . 1 1 51 51 CYS H H 51 7.466 7.466 8.005 -0.539 25830 279 1 . 1 1 52 52 ASN N N 52 120.867 120.867 117.994 2.873 25830 280 1 . 1 1 52 52 ASN HA H 52 4.403 4.403 4.610 -0.207 25830 281 1 . 1 1 52 52 ASN C C 52 176.290 176.290 177.110 -0.820 25830 282 1 . 1 1 52 52 ASN CA C 52 54.177 54.177 55.989 -1.812 25830 283 1 . 1 1 52 52 ASN CB C 52 36.302 36.302 38.190 -1.888 25830 284 1 . 1 1 52 52 ASN H H 52 8.164 8.164 7.530 0.634 25830 285 1 . 1 1 53 53 CYS N N 53 119.542 119.542 119.771 -0.229 25830 286 1 . 1 1 53 53 CYS HA H 53 4.543 4.543 4.230 0.313 25830 287 1 . 1 1 53 53 CYS C C 53 175.294 175.294 176.946 -1.652 25830 288 1 . 1 1 53 53 CYS CA C 53 53.637 53.637 62.241 -8.604 25830 289 1 . 1 1 53 53 CYS CB C 53 34.302 34.302 26.131 8.171 25830 290 1 . 1 1 53 53 CYS H H 53 8.974 8.974 7.872 1.102 25830 291 1 . 1 1 54 54 LEU N N 54 124.510 124.510 118.889 5.621 25830 292 1 . 1 1 54 54 LEU HA H 54 3.964 3.964 3.970 -0.006 25830 293 1 . 1 1 54 54 LEU C C 54 175.082 175.082 179.003 -3.921 25830 294 1 . 1 1 54 54 LEU CA C 54 55.725 55.725 57.999 -2.274 25830 295 1 . 1 1 54 54 LEU CB C 54 39.035 39.035 41.132 -2.097 25830 296 1 . 1 1 54 54 LEU H H 54 8.794 8.794 7.946 0.848 25830 297 1 . 1 1 55 55 LYS N N 55 120.615 120.615 118.676 1.939 25830 298 1 . 1 1 55 55 LYS HA H 55 3.929 3.929 4.031 -0.102 25830 299 1 . 1 1 55 55 LYS C C 55 176.860 176.860 178.510 -1.650 25830 300 1 . 1 1 55 55 LYS CA C 55 57.089 57.089 59.168 -2.079 25830 301 1 . 1 1 55 55 LYS CB C 55 30.420 30.420 32.131 -1.711 25830 302 1 . 1 1 55 55 LYS H H 55 8.119 8.119 7.521 0.598 25830 303 1 . 1 1 56 56 SER N N 56 113.653 113.653 115.214 -1.561 25830 304 1 . 1 1 56 56 SER HA H 56 4.202 4.202 4.270 -0.068 25830 305 1 . 1 1 56 56 SER C C 56 175.009 175.009 176.779 -1.770 25830 306 1 . 1 1 56 56 SER CA C 56 58.397 58.397 61.044 -2.647 25830 307 1 . 1 1 56 56 SER CB C 56 60.063 60.063 63.048 -2.985 25830 308 1 . 1 1 56 56 SER H H 56 7.746 7.746 7.541 0.205 25830 309 1 . 1 1 57 57 ALA N N 57 125.184 125.184 123.531 1.653 25830 310 1 . 1 1 57 57 ALA HA H 57 4.073 4.073 4.095 -0.021 25830 311 1 . 1 1 57 57 ALA C C 57 177.735 177.735 179.328 -1.593 25830 312 1 . 1 1 57 57 ALA CA C 57 52.222 52.222 54.555 -2.333 25830 313 1 . 1 1 57 57 ALA CB C 57 14.710 14.710 18.200 -3.490 25830 314 1 . 1 1 57 57 ALA H H 57 8.370 8.370 8.031 0.339 25830 315 1 . 1 1 58 58 ALA N N 58 119.288 119.288 120.969 -1.681 25830 316 1 . 1 1 58 58 ALA HA H 58 3.873 3.873 4.112 -0.239 25830 317 1 . 1 1 58 58 ALA C C 58 176.201 176.201 179.537 -3.336 25830 318 1 . 1 1 58 58 ALA CA C 58 52.154 52.154 54.435 -2.281 25830 319 1 . 1 1 58 58 ALA CB C 58 13.944 13.944 18.444 -4.500 25830 320 1 . 1 1 58 58 ALA H H 58 8.355 8.355 7.751 0.604 25830 321 1 . 1 1 59 59 GLY N N 59 101.896 101.896 104.570 -2.674 25830 322 1 . 1 1 59 59 GLY C C 59 171.619 171.619 174.923 -3.304 25830 323 1 . 1 1 59 59 GLY CA C 59 43.245 43.245 45.613 -2.368 25830 324 1 . 1 1 59 59 GLY H H 59 7.613 7.613 7.922 -0.309 25830 325 1 . 1 1 60 60 SER N N 60 114.297 114.297 115.243 -0.946 25830 326 1 . 1 1 60 60 SER HA H 60 4.548 4.548 4.548 -0.000 25830 327 1 . 1 1 60 60 SER C C 60 171.232 171.232 174.156 -2.924 25830 328 1 . 1 1 60 60 SER CA C 60 55.817 55.817 57.819 -2.002 25830 329 1 . 1 1 60 60 SER CB C 60 61.793 61.793 64.185 -2.392 25830 330 1 . 1 1 60 60 SER H H 60 7.570 7.570 7.752 -0.182 25830 331 1 . 1 1 61 61 ILE N N 61 125.096 125.096 125.591 -0.495 25830 332 1 . 1 1 61 61 ILE HA H 61 4.272 4.272 4.419 -0.147 25830 333 1 . 1 1 61 61 ILE C C 61 170.966 170.966 174.329 -3.363 25830 334 1 . 1 1 61 61 ILE CA C 61 56.364 56.364 58.510 -2.146 25830 335 1 . 1 1 61 61 ILE CB C 61 36.307 36.307 38.735 -2.428 25830 336 1 . 1 1 61 61 ILE H H 61 7.222 7.222 7.465 -0.243 25830 337 1 . 1 1 62 62 PRO HA H 62 4.317 4.317 4.415 -0.098 25830 338 1 . 1 1 62 62 PRO C C 62 173.935 173.935 176.295 -2.360 25830 339 1 . 1 1 62 62 PRO CA C 62 60.634 60.634 63.240 -2.606 25830 340 1 . 1 1 62 62 PRO CB C 62 29.399 29.399 31.731 -2.332 25830 341 1 . 1 1 63 63 LYS N N 63 115.837 115.837 117.282 -1.445 25830 342 1 . 1 1 63 63 LYS HA H 63 3.916 3.916 3.824 0.092 25830 343 1 . 1 1 63 63 LYS C C 63 172.800 172.800 176.192 -3.392 25830 344 1 . 1 1 63 63 LYS CA C 63 53.303 53.303 56.630 -3.327 25830 345 1 . 1 1 63 63 LYS CB C 63 26.973 26.973 30.112 -3.139 25830 346 1 . 1 1 63 63 LYS H H 63 8.584 8.584 8.508 0.076 25830 347 1 . 1 1 64 64 LEU N N 64 118.672 118.672 120.272 -1.600 25830 348 1 . 1 1 64 64 LEU HA H 64 3.625 3.625 4.088 -0.463 25830 349 1 . 1 1 64 64 LEU C C 64 173.690 173.690 176.281 -2.591 25830 350 1 . 1 1 64 64 LEU CA C 64 53.929 53.929 55.847 -1.918 25830 351 1 . 1 1 64 64 LEU CB C 64 39.878 39.878 42.236 -2.358 25830 352 1 . 1 1 64 64 LEU H H 64 7.116 7.116 7.510 -0.394 25830 353 1 . 1 1 65 65 ASN N N 65 125.562 125.562 125.229 0.333 25830 354 1 . 1 1 65 65 ASN HA H 65 4.879 4.879 4.945 -0.066 25830 355 1 . 1 1 65 65 ASN C C 65 174.338 174.338 175.933 -1.595 25830 356 1 . 1 1 65 65 ASN CA C 65 48.862 48.862 51.600 -2.738 25830 357 1 . 1 1 65 65 ASN CB C 65 34.238 34.238 38.811 -4.573 25830 358 1 . 1 1 65 65 ASN H H 65 9.348 9.348 8.335 1.013 25830 359 1 . 1 1 66 66 THR N N 66 118.448 118.448 117.900 0.548 25830 360 1 . 1 1 66 66 THR HA H 66 3.840 3.840 3.910 -0.070 25830 361 1 . 1 1 66 66 THR C C 66 174.820 174.820 175.813 -0.993 25830 362 1 . 1 1 66 66 THR CA C 66 62.576 62.576 65.619 -3.043 25830 363 1 . 1 1 66 66 THR CB C 66 65.348 65.348 68.723 -3.375 25830 364 1 . 1 1 66 66 THR H H 66 8.735 8.735 8.313 0.421 25830 365 1 . 1 1 67 67 ASN N N 67 121.545 121.545 118.990 2.555 25830 366 1 . 1 1 67 67 ASN HA H 67 4.460 4.460 4.444 0.016 25830 367 1 . 1 1 67 67 ASN C C 67 174.825 174.825 177.694 -2.869 25830 368 1 . 1 1 67 67 ASN CA C 67 53.781 53.781 56.043 -2.262 25830 369 1 . 1 1 67 67 ASN CB C 67 35.495 35.495 38.373 -2.878 25830 370 1 . 1 1 67 67 ASN H H 67 8.229 8.229 8.253 -0.024 25830 371 1 . 1 1 68 68 ASN N N 68 122.399 122.399 118.530 3.869 25830 372 1 . 1 1 68 68 ASN HA H 68 4.463 4.463 4.458 0.005 25830 373 1 . 1 1 68 68 ASN C C 68 175.357 175.357 176.260 -0.903 25830 374 1 . 1 1 68 68 ASN CA C 68 52.009 52.009 55.570 -3.561 25830 375 1 . 1 1 68 68 ASN CB C 68 32.853 32.853 37.968 -5.115 25830 376 1 . 1 1 68 68 ASN H H 68 7.153 7.153 7.972 -0.819 25830 377 1 . 1 1 69 69 ALA N N 69 123.588 123.588 120.259 3.329 25830 378 1 . 1 1 69 69 ALA HA H 69 3.930 3.930 4.104 -0.174 25830 379 1 . 1 1 69 69 ALA C C 69 175.919 175.919 178.307 -2.388 25830 380 1 . 1 1 69 69 ALA CA C 69 53.087 53.087 54.268 -1.181 25830 381 1 . 1 1 69 69 ALA CB C 69 14.867 14.867 18.374 -3.507 25830 382 1 . 1 1 69 69 ALA H H 69 7.942 7.942 7.367 0.575 25830 383 1 . 1 1 70 70 ALA N N 70 117.736 117.736 119.724 -1.988 25830 384 1 . 1 1 70 70 ALA HA H 70 4.250 4.250 4.216 0.034 25830 385 1 . 1 1 70 70 ALA C C 70 176.704 176.704 178.687 -1.983 25830 386 1 . 1 1 70 70 ALA CA C 70 51.706 51.706 54.335 -2.629 25830 387 1 . 1 1 70 70 ALA CB C 70 15.507 15.507 19.149 -3.642 25830 388 1 . 1 1 70 70 ALA H H 70 7.574 7.574 7.417 0.157 25830 389 1 . 1 1 71 71 ALA N N 71 117.858 117.858 120.812 -2.954 25830 390 1 . 1 1 71 71 ALA HA H 71 4.321 4.321 4.404 -0.083 25830 391 1 . 1 1 71 71 ALA C C 71 175.190 175.190 179.251 -4.061 25830 392 1 . 1 1 71 71 ALA CA C 71 50.142 50.142 53.738 -3.596 25830 393 1 . 1 1 71 71 ALA CB C 71 16.908 16.908 18.384 -1.476 25830 394 1 . 1 1 71 71 ALA H H 71 7.676 7.676 7.412 0.264 25830 395 1 . 1 1 72 72 LEU N N 72 117.566 117.566 122.048 -4.482 25830 396 1 . 1 1 72 72 LEU HA H 72 4.097 4.097 4.187 -0.090 25830 397 1 . 1 1 72 72 LEU C C 72 170.406 170.406 175.505 -5.099 25830 398 1 . 1 1 72 72 LEU CA C 72 57.688 57.688 59.723 -2.035 25830 399 1 . 1 1 72 72 LEU CB C 72 36.632 36.632 39.741 -3.109 25830 400 1 . 1 1 72 72 LEU H H 72 7.494 7.494 7.790 -0.296 25830 401 1 . 1 1 73 73 PRO HA H 73 3.793 3.793 4.313 -0.520 25830 402 1 . 1 1 73 73 PRO C C 73 176.416 176.416 179.162 -2.746 25830 403 1 . 1 1 73 73 PRO CA C 73 64.431 64.431 65.655 -1.224 25830 404 1 . 1 1 73 73 PRO CB C 73 27.928 27.928 30.887 -2.959 25830 405 1 . 1 1 74 74 GLY N N 74 106.170 106.170 107.530 -1.360 25830 406 1 . 1 1 74 74 GLY C C 74 176.081 176.081 176.690 -0.609 25830 407 1 . 1 1 74 74 GLY CA C 74 44.577 44.577 47.128 -2.551 25830 408 1 . 1 1 74 74 GLY H H 74 8.374 8.374 7.896 0.478 25830 409 1 . 1 1 75 75 LYS N N 75 121.379 121.379 119.957 1.422 25830 410 1 . 1 1 75 75 LYS HA H 75 4.162 4.162 4.142 0.020 25830 411 1 . 1 1 75 75 LYS C C 75 175.735 175.735 177.969 -2.234 25830 412 1 . 1 1 75 75 LYS CA C 75 56.053 56.053 58.249 -2.196 25830 413 1 . 1 1 75 75 LYS CB C 75 30.087 30.087 32.079 -1.992 25830 414 1 . 1 1 75 75 LYS H H 75 8.417 8.417 8.331 0.086 25830 415 1 . 1 1 76 76 CYS N N 76 115.021 115.021 115.781 -0.760 25830 416 1 . 1 1 76 76 CYS HA H 76 4.895 4.895 4.460 0.435 25830 417 1 . 1 1 76 76 CYS C C 76 172.300 172.300 175.440 -3.140 25830 418 1 . 1 1 76 76 CYS CA C 76 49.730 49.730 59.472 -9.742 25830 419 1 . 1 1 76 76 CYS CB C 76 32.817 32.817 27.279 5.538 25830 420 1 . 1 1 76 76 CYS H H 76 7.756 7.756 7.742 0.014 25830 421 1 . 1 1 77 77 GLY N N 77 109.352 109.352 107.878 1.474 25830 422 1 . 1 1 77 77 GLY C C 77 171.753 171.753 174.159 -2.406 25830 423 1 . 1 1 77 77 GLY CA C 77 43.794 43.794 45.295 -1.501 25830 424 1 . 1 1 77 77 GLY H H 77 7.894 7.894 7.952 -0.058 25830 425 1 . 1 1 78 78 VAL N N 78 115.528 115.528 116.643 -1.115 25830 426 1 . 1 1 78 78 VAL HA H 78 4.491 4.491 4.472 0.019 25830 427 1 . 1 1 78 78 VAL C C 78 171.256 171.256 174.743 -3.487 25830 428 1 . 1 1 78 78 VAL CA C 78 56.800 56.800 60.811 -4.011 25830 429 1 . 1 1 78 78 VAL CB C 78 31.741 31.741 32.980 -1.239 25830 430 1 . 1 1 78 78 VAL H H 78 8.137 8.137 7.478 0.659 25830 431 1 . 1 1 79 79 SER N N 79 116.418 116.418 119.939 -3.521 25830 432 1 . 1 1 79 79 SER HA H 79 4.583 4.583 4.689 -0.106 25830 433 1 . 1 1 79 79 SER C C 79 170.681 170.681 174.041 -3.360 25830 434 1 . 1 1 79 79 SER CA C 79 54.258 54.258 57.347 -3.089 25830 435 1 . 1 1 79 79 SER CB C 79 61.468 61.468 63.968 -2.500 25830 436 1 . 1 1 79 79 SER H H 79 8.124 8.124 8.279 -0.155 25830 437 1 . 1 1 80 80 ILE N N 80 120.257 120.257 122.411 -2.154 25830 438 1 . 1 1 80 80 ILE HA H 80 4.639 4.639 4.585 0.054 25830 439 1 . 1 1 80 80 ILE C C 80 172.830 172.830 174.322 -1.492 25830 440 1 . 1 1 80 80 ILE CA C 80 55.333 55.333 57.844 -2.511 25830 441 1 . 1 1 80 80 ILE CB C 80 38.093 38.093 37.924 0.169 25830 442 1 . 1 1 80 80 ILE H H 80 8.089 8.089 8.240 -0.151 25830 443 1 . 1 1 81 81 PRO HA H 81 4.547 4.547 4.372 0.175 25830 444 1 . 1 1 81 81 PRO C C 81 171.325 171.325 175.821 -4.496 25830 445 1 . 1 1 81 81 PRO CA C 81 60.903 60.903 64.129 -3.226 25830 446 1 . 1 1 81 81 PRO CB C 81 27.693 27.693 32.231 -4.538 25830 447 1 . 1 1 82 82 TYR N N 82 115.259 115.259 115.717 -0.458 25830 448 1 . 1 1 82 82 TYR HA H 82 4.732 4.732 4.752 -0.020 25830 449 1 . 1 1 82 82 TYR C C 82 170.187 170.187 174.100 -3.913 25830 450 1 . 1 1 82 82 TYR CA C 82 51.930 51.930 55.377 -3.447 25830 451 1 . 1 1 82 82 TYR CB C 82 37.275 37.275 39.824 -2.549 25830 452 1 . 1 1 82 82 TYR H H 82 6.642 6.642 7.208 -0.566 25830 453 1 . 1 1 83 83 LYS N N 83 116.992 116.992 119.900 -2.908 25830 454 1 . 1 1 83 83 LYS HA H 83 4.464 4.464 4.502 -0.038 25830 455 1 . 1 1 83 83 LYS C C 83 174.342 174.342 175.724 -1.382 25830 456 1 . 1 1 83 83 LYS CA C 83 51.653 51.653 55.143 -3.490 25830 457 1 . 1 1 83 83 LYS CB C 83 31.513 31.513 34.743 -3.230 25830 458 1 . 1 1 83 83 LYS H H 83 8.301 8.301 8.435 -0.134 25830 459 1 . 1 1 84 84 ILE N N 84 126.906 126.906 121.941 4.965 25830 460 1 . 1 1 84 84 ILE HA H 84 3.913 3.913 4.316 -0.403 25830 461 1 . 1 1 84 84 ILE C C 84 170.945 170.945 174.986 -4.041 25830 462 1 . 1 1 84 84 ILE CA C 84 59.761 59.761 61.045 -1.284 25830 463 1 . 1 1 84 84 ILE CB C 84 33.534 33.534 36.986 -3.452 25830 464 1 . 1 1 84 84 ILE H H 84 9.304 9.304 8.531 0.773 25830 465 1 . 1 1 85 85 SER N N 85 120.246 120.246 119.661 0.585 25830 466 1 . 1 1 85 85 SER HA H 85 4.563 4.563 4.825 -0.262 25830 467 1 . 1 1 85 85 SER C C 85 171.695 171.695 175.112 -3.417 25830 468 1 . 1 1 85 85 SER CA C 85 53.394 53.394 57.022 -3.628 25830 469 1 . 1 1 85 85 SER CB C 85 61.638 61.638 65.846 -4.208 25830 470 1 . 1 1 85 85 SER H H 85 7.256 7.256 7.934 -0.678 25830 471 1 . 1 1 86 86 THR N N 86 115.458 115.458 115.344 0.114 25830 472 1 . 1 1 86 86 THR HA H 86 4.147 4.147 4.186 -0.039 25830 473 1 . 1 1 86 86 THR C C 86 172.663 172.663 175.325 -2.662 25830 474 1 . 1 1 86 86 THR CA C 86 61.527 61.527 64.328 -2.801 25830 475 1 . 1 1 86 86 THR CB C 86 65.858 65.858 68.845 -2.987 25830 476 1 . 1 1 86 86 THR H H 86 8.819 8.819 8.578 0.241 25830 477 1 . 1 1 87 87 SER N N 87 114.029 114.029 115.022 -0.993 25830 478 1 . 1 1 87 87 SER HA H 87 4.524 4.524 4.497 0.027 25830 479 1 . 1 1 87 87 SER C C 87 172.010 172.010 174.744 -2.734 25830 480 1 . 1 1 87 87 SER CA C 87 55.408 55.408 58.586 -3.178 25830 481 1 . 1 1 87 87 SER CB C 87 61.144 61.144 63.540 -2.396 25830 482 1 . 1 1 87 87 SER H H 87 8.239 8.239 7.891 0.348 25830 483 1 . 1 1 88 88 THR N N 88 120.831 120.831 119.562 1.269 25830 484 1 . 1 1 88 88 THR HA H 88 3.808 3.808 4.294 -0.486 25830 485 1 . 1 1 88 88 THR C C 88 181.273 181.273 174.152 7.121 25830 486 1 . 1 1 88 88 THR CA C 88 61.409 61.409 63.408 -1.999 25830 487 1 . 1 1 88 88 THR CB C 88 67.556 67.556 69.544 -1.988 25830 488 1 . 1 1 88 88 THR H H 88 7.142 7.142 7.291 -0.149 25830 489 1 . 1 1 89 89 ASN N N 89 124.818 124.818 124.572 0.246 25830 490 1 . 1 1 89 89 ASN HA H 89 4.819 4.819 4.753 0.066 25830 491 1 . 1 1 89 89 ASN C C 89 173.325 173.325 175.733 -2.408 25830 492 1 . 1 1 89 89 ASN CA C 89 48.483 48.483 52.494 -4.011 25830 493 1 . 1 1 89 89 ASN CB C 89 34.958 34.958 38.112 -3.154 25830 494 1 . 1 1 89 89 ASN H H 89 8.754 8.754 8.682 0.072 25830 495 1 . 1 1 90 90 CYS N N 90 123.361 123.361 122.433 0.928 25830 496 1 . 1 1 90 90 CYS HA H 90 4.174 4.174 4.095 0.079 25830 497 1 . 1 1 90 90 CYS C C 90 172.573 172.573 176.090 -3.517 25830 498 1 . 1 1 90 90 CYS CA C 90 54.158 54.158 60.625 -6.467 25830 499 1 . 1 1 90 90 CYS CB C 90 36.687 36.687 26.345 10.342 25830 500 1 . 1 1 90 90 CYS H H 90 8.790 8.790 8.260 0.530 25830 501 1 . 1 1 91 91 ASN N N 91 115.199 115.199 116.526 -1.327 25830 502 1 . 1 1 91 91 ASN HA H 91 4.578 4.578 4.521 0.057 25830 503 1 . 1 1 91 91 ASN C C 91 173.584 173.584 176.284 -2.700 25830 504 1 . 1 1 91 91 ASN CA C 91 52.264 52.264 55.141 -2.877 25830 505 1 . 1 1 91 91 ASN CB C 91 35.690 35.690 38.217 -2.527 25830 506 1 . 1 1 91 91 ASN H H 91 8.320 8.320 8.375 -0.055 25830 507 1 . 1 1 92 92 THR N N 92 107.497 107.497 110.642 -3.145 25830 508 1 . 1 1 92 92 THR HA H 92 4.388 4.388 4.305 0.083 25830 509 1 . 1 1 92 92 THR C C 92 171.702 171.702 175.037 -3.335 25830 510 1 . 1 1 92 92 THR CA C 92 58.280 58.280 62.058 -3.778 25830 511 1 . 1 1 92 92 THR CB C 92 66.107 66.107 69.346 -3.238 25830 512 1 . 1 1 92 92 THR H H 92 7.338 7.338 7.626 -0.288 25830 513 1 . 1 1 93 93 VAL N N 93 123.151 123.151 122.474 0.677 25830 514 1 . 1 1 93 93 VAL HA H 93 3.667 3.667 3.992 -0.325 25830 515 1 . 1 1 93 93 VAL C C 93 172.207 172.207 175.908 -3.701 25830 516 1 . 1 1 93 93 VAL CA C 93 59.846 59.846 62.590 -2.744 25830 517 1 . 1 1 93 93 VAL CB C 93 29.999 29.999 32.395 -2.396 25830 518 1 . 1 1 93 93 VAL H H 93 6.806 6.806 7.283 -0.477 25830 519 1 . 1 1 94 94 ARG N N 94 127.129 127.129 125.563 1.566 25830 520 1 . 1 1 94 94 ARG HA H 94 4.339 4.339 4.160 0.179 25830 521 1 . 1 1 94 94 ARG C C 94 171.859 171.859 176.112 -4.253 25830 522 1 . 1 1 94 94 ARG CA C 94 52.395 52.395 55.732 -3.337 25830 523 1 . 1 1 94 94 ARG CB C 94 26.973 26.973 30.460 -3.487 25830 524 1 . 1 1 94 94 ARG H H 94 8.201 8.201 8.402 -0.201 25830 stop_ save_