data_19998 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19998 _Entry.PDB_ID 2MPQ 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 19998 _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 ALA N N 2 123.910 123.910 125.822 -1.912 19998 2 1 1 . 1 1 2 2 ALA HA H 2 4.464 4.464 4.932 -0.468 19998 3 1 1 . 1 1 2 2 ALA C C 2 174.673 174.673 176.556 -1.883 19998 4 1 1 . 1 1 2 2 ALA CA C 2 52.168 52.168 52.251 -0.083 19998 5 1 1 . 1 1 2 2 ALA CB C 2 19.690 19.690 19.040 0.650 19998 6 1 1 . 1 1 2 2 ALA H H 2 8.561 8.561 8.162 0.399 19998 7 1 1 . 1 1 3 3 CYS N N 3 117.207 117.207 118.675 -1.468 19998 8 1 1 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.651 0.314 19998 9 1 1 . 1 1 3 3 CYS C C 3 170.808 170.808 172.454 -1.646 19998 10 1 1 . 1 1 3 3 CYS CA C 3 54.754 54.754 57.431 -2.677 19998 11 1 1 . 1 1 3 3 CYS CB C 3 44.067 44.067 28.824 15.243 19998 12 1 1 . 1 1 3 3 CYS H H 3 8.335 8.335 8.293 0.042 19998 13 1 1 . 1 1 4 4 LEU N N 4 121.828 121.828 122.778 -0.950 19998 14 1 1 . 1 1 4 4 LEU HA H 4 4.345 4.345 4.610 -0.265 19998 15 1 1 . 1 1 4 4 LEU C C 4 172.234 172.234 177.233 -4.999 19998 16 1 1 . 1 1 4 4 LEU CA C 4 54.223 54.223 54.035 0.188 19998 17 1 1 . 1 1 4 4 LEU CB C 4 44.578 44.578 43.878 0.700 19998 18 1 1 . 1 1 4 4 LEU H H 4 8.815 8.815 8.370 0.445 19998 19 1 1 . 1 1 5 5 GLY N N 5 107.508 107.508 110.463 -2.955 19998 20 1 1 . 1 1 5 5 GLY C C 5 169.768 169.768 173.412 -3.644 19998 21 1 1 . 1 1 5 5 GLY CA C 5 43.052 43.052 44.018 -0.966 19998 22 1 1 . 1 1 5 5 GLY H H 5 7.999 7.999 8.332 -0.333 19998 23 1 1 . 1 1 6 6 PHE N N 6 116.953 116.953 120.412 -3.459 19998 24 1 1 . 1 1 6 6 PHE HA H 6 3.619 3.619 3.938 -0.319 19998 25 1 1 . 1 1 6 6 PHE C C 6 174.967 174.967 177.359 -2.392 19998 26 1 1 . 1 1 6 6 PHE CA C 6 60.101 60.101 58.683 1.418 19998 27 1 1 . 1 1 6 6 PHE CB C 6 39.506 39.506 39.033 0.472 19998 28 1 1 . 1 1 6 6 PHE H H 6 8.392 8.392 8.265 0.127 19998 29 1 1 . 1 1 7 7 GLY N N 7 115.074 115.074 114.544 0.530 19998 30 1 1 . 1 1 7 7 GLY C C 7 171.017 171.017 173.454 -2.437 19998 31 1 1 . 1 1 7 7 GLY CA C 7 44.844 44.844 44.714 0.130 19998 32 1 1 . 1 1 7 7 GLY H H 7 8.645 8.645 7.552 1.093 19998 33 1 1 . 1 1 8 8 LYS N N 8 120.051 120.051 120.778 -0.727 19998 34 1 1 . 1 1 8 8 LYS HA H 8 4.313 4.313 4.664 -0.351 19998 35 1 1 . 1 1 8 8 LYS C C 8 173.878 173.878 176.101 -2.223 19998 36 1 1 . 1 1 8 8 LYS CA C 8 54.570 54.570 54.063 0.507 19998 37 1 1 . 1 1 8 8 LYS CB C 8 32.391 32.391 34.198 -1.807 19998 38 1 1 . 1 1 8 8 LYS H H 8 7.429 7.429 7.381 0.048 19998 39 1 1 . 1 1 9 9 SER N N 9 117.004 117.004 117.559 -0.555 19998 40 1 1 . 1 1 9 9 SER HA H 9 4.315 4.315 4.666 -0.351 19998 41 1 1 . 1 1 9 9 SER C C 9 170.486 170.486 174.385 -3.899 19998 42 1 1 . 1 1 9 9 SER CB C 9 63.355 63.355 62.200 1.155 19998 43 1 1 . 1 1 9 9 SER H H 9 8.542 8.542 8.525 0.017 19998 44 1 1 . 1 1 10 10 CYS N N 10 119.238 119.238 120.709 -1.471 19998 45 1 1 . 1 1 10 10 CYS HA H 10 4.833 4.833 4.746 0.087 19998 46 1 1 . 1 1 10 10 CYS C C 10 168.106 168.106 173.155 -5.049 19998 47 1 1 . 1 1 10 10 CYS CA C 10 53.907 53.907 56.436 -2.529 19998 48 1 1 . 1 1 10 10 CYS CB C 10 45.841 45.841 30.287 15.554 19998 49 1 1 . 1 1 10 10 CYS H H 10 8.188 8.188 8.240 -0.052 19998 50 1 1 . 1 1 11 11 ASN N N 11 119.594 119.594 119.192 0.402 19998 51 1 1 . 1 1 11 11 ASN HA H 11 5.124 5.124 5.190 -0.066 19998 52 1 1 . 1 1 11 11 ASN CA C 11 48.476 48.476 49.758 -1.282 19998 53 1 1 . 1 1 11 11 ASN CB C 11 40.000 40.000 41.077 -1.077 19998 54 1 1 . 1 1 11 11 ASN H H 11 9.129 9.129 8.629 0.500 19998 55 1 1 . 1 1 12 12 PRO HA H 12 3.848 3.848 4.432 -0.584 19998 56 1 1 . 1 1 12 12 PRO C C 12 174.197 174.197 178.078 -3.881 19998 57 1 1 . 1 1 12 12 PRO CA C 12 64.689 64.689 64.699 -0.010 19998 58 1 1 . 1 1 12 12 PRO CB C 12 31.883 31.883 32.135 -0.252 19998 59 1 1 . 1 1 13 13 SER N N 13 110.351 110.351 112.516 -2.165 19998 60 1 1 . 1 1 13 13 SER HA H 13 4.394 4.394 4.251 0.143 19998 61 1 1 . 1 1 13 13 SER C C 13 170.980 170.980 174.147 -3.167 19998 62 1 1 . 1 1 13 13 SER CA C 13 59.326 59.326 60.313 -0.987 19998 63 1 1 . 1 1 13 13 SER CB C 13 63.380 63.380 62.900 0.480 19998 64 1 1 . 1 1 13 13 SER H H 13 7.785 7.785 8.428 -0.643 19998 65 1 1 . 1 1 14 14 ASN N N 14 120.660 120.660 118.712 1.948 19998 66 1 1 . 1 1 14 14 ASN HA H 14 4.638 4.638 4.883 -0.245 19998 67 1 1 . 1 1 14 14 ASN C C 14 171.412 171.412 173.453 -2.041 19998 68 1 1 . 1 1 14 14 ASN CA C 14 52.806 52.806 51.725 1.081 19998 69 1 1 . 1 1 14 14 ASN CB C 14 37.810 37.810 39.105 -1.295 19998 70 1 1 . 1 1 14 14 ASN H H 14 7.613 7.613 7.805 -0.192 19998 71 1 1 . 1 1 15 15 ASP N N 15 124.062 124.062 120.962 3.100 19998 72 1 1 . 1 1 15 15 ASP HA H 15 4.110 4.110 4.530 -0.420 19998 73 1 1 . 1 1 15 15 ASP C C 15 174.918 174.918 175.717 -0.799 19998 74 1 1 . 1 1 15 15 ASP CA C 15 55.774 55.774 54.881 0.893 19998 75 1 1 . 1 1 15 15 ASP CB C 15 41.360 41.360 40.595 0.765 19998 76 1 1 . 1 1 15 15 ASP H H 15 8.695 8.695 8.026 0.669 19998 77 1 1 . 1 1 16 16 GLN N N 16 127.008 127.008 122.848 4.160 19998 78 1 1 . 1 1 16 16 GLN HA H 16 4.613 4.613 4.551 0.062 19998 79 1 1 . 1 1 16 16 GLN C C 16 173.874 173.874 174.021 -0.147 19998 80 1 1 . 1 1 16 16 GLN CA C 16 54.522 54.522 54.911 -0.389 19998 81 1 1 . 1 1 16 16 GLN CB C 16 28.327 28.327 29.016 -0.689 19998 82 1 1 . 1 1 16 16 GLN H H 16 8.041 8.041 8.531 -0.490 19998 83 1 1 . 1 1 17 17 CYS N N 17 122.234 122.234 119.005 3.229 19998 84 1 1 . 1 1 17 17 CYS HA H 17 4.983 4.983 4.809 0.174 19998 85 1 1 . 1 1 17 17 CYS C C 17 173.908 173.908 174.764 -0.856 19998 86 1 1 . 1 1 17 17 CYS CA C 17 56.486 56.486 57.728 -1.242 19998 87 1 1 . 1 1 17 17 CYS CB C 17 38.906 38.906 30.522 8.384 19998 88 1 1 . 1 1 17 17 CYS H H 17 9.314 9.314 8.217 1.097 19998 89 1 1 . 1 1 18 18 CYS N N 18 118.883 118.883 122.644 -3.761 19998 90 1 1 . 1 1 18 18 CYS HA H 18 4.608 4.608 4.525 0.083 19998 91 1 1 . 1 1 18 18 CYS C C 18 172.722 172.722 176.025 -3.303 19998 92 1 1 . 1 1 18 18 CYS CA C 18 55.521 55.521 59.087 -3.566 19998 93 1 1 . 1 1 18 18 CYS CB C 18 41.367 41.367 26.199 15.168 19998 94 1 1 . 1 1 18 18 CYS H H 18 9.192 9.192 8.553 0.639 19998 95 1 1 . 1 1 19 19 LYS N N 19 131.730 131.730 126.364 5.366 19998 96 1 1 . 1 1 19 19 LYS HA H 19 4.332 4.332 4.108 0.224 19998 97 1 1 . 1 1 19 19 LYS C C 19 177.997 177.997 178.900 -0.903 19998 98 1 1 . 1 1 19 19 LYS CA C 19 58.426 58.426 59.131 -0.705 19998 99 1 1 . 1 1 19 19 LYS CB C 19 31.319 31.319 32.313 -0.994 19998 100 1 1 . 1 1 19 19 LYS H H 19 8.890 8.890 8.550 0.340 19998 101 1 1 . 1 1 20 20 SER N N 20 115.887 115.887 114.530 1.357 19998 102 1 1 . 1 1 20 20 SER HA H 20 4.334 4.334 4.283 0.051 19998 103 1 1 . 1 1 20 20 SER C C 20 172.946 172.946 175.475 -2.529 19998 104 1 1 . 1 1 20 20 SER CA C 20 60.311 60.311 60.789 -0.478 19998 105 1 1 . 1 1 20 20 SER CB C 20 62.327 62.327 62.975 -0.648 19998 106 1 1 . 1 1 20 20 SER H H 20 8.856 8.856 8.559 0.297 19998 107 1 1 . 1 1 21 21 SER N N 21 116.191 116.191 114.746 1.445 19998 108 1 1 . 1 1 21 21 SER HA H 21 4.833 4.833 4.594 0.239 19998 109 1 1 . 1 1 21 21 SER C C 21 170.505 170.505 173.154 -2.649 19998 110 1 1 . 1 1 21 21 SER CA C 21 57.500 57.500 58.222 -0.722 19998 111 1 1 . 1 1 21 21 SER CB C 21 63.852 63.852 63.506 0.346 19998 112 1 1 . 1 1 21 21 SER H H 21 7.068 7.068 7.603 -0.535 19998 113 1 1 . 1 1 22 22 SER N N 22 111.723 111.723 115.716 -3.993 19998 114 1 1 . 1 1 22 22 SER HA H 22 4.099 4.099 4.141 -0.042 19998 115 1 1 . 1 1 22 22 SER C C 22 170.369 170.369 172.945 -2.576 19998 116 1 1 . 1 1 22 22 SER CA C 22 59.140 59.140 59.785 -0.645 19998 117 1 1 . 1 1 22 22 SER CB C 22 61.339 61.339 61.259 0.080 19998 118 1 1 . 1 1 22 22 SER H H 22 8.113 8.113 8.248 -0.135 19998 119 1 1 . 1 1 23 23 LEU N N 23 115.988 115.988 118.814 -2.826 19998 120 1 1 . 1 1 23 23 LEU HA H 23 4.898 4.898 4.787 0.111 19998 121 1 1 . 1 1 23 23 LEU C C 23 173.712 173.712 175.587 -1.875 19998 122 1 1 . 1 1 23 23 LEU CA C 23 53.083 53.083 53.343 -0.260 19998 123 1 1 . 1 1 23 23 LEU CB C 23 46.062 46.062 44.962 1.100 19998 124 1 1 . 1 1 23 23 LEU H H 23 7.111 7.111 7.617 -0.506 19998 125 1 1 . 1 1 24 24 ALA N N 24 119.898 119.898 120.809 -0.911 19998 126 1 1 . 1 1 24 24 ALA HA H 24 4.466 4.466 4.631 -0.165 19998 127 1 1 . 1 1 24 24 ALA C C 24 173.491 173.491 174.700 -1.209 19998 128 1 1 . 1 1 24 24 ALA CA C 24 51.167 51.167 51.762 -0.595 19998 129 1 1 . 1 1 24 24 ALA CB C 24 23.237 23.237 21.645 1.592 19998 130 1 1 . 1 1 24 24 ALA H H 24 8.904 8.904 7.764 1.140 19998 131 1 1 . 1 1 25 25 CYS N N 25 122.945 122.945 121.151 1.794 19998 132 1 1 . 1 1 25 25 CYS HA H 25 4.452 4.452 4.989 -0.537 19998 133 1 1 . 1 1 25 25 CYS C C 25 171.574 171.574 175.210 -3.636 19998 134 1 1 . 1 1 25 25 CYS CA C 25 56.132 56.132 57.645 -1.513 19998 135 1 1 . 1 1 25 25 CYS CB C 25 39.179 39.179 26.635 12.544 19998 136 1 1 . 1 1 25 25 CYS H H 25 9.847 9.847 8.678 1.169 19998 137 1 1 . 1 1 26 26 SER N N 26 122.285 122.285 123.392 -1.107 19998 138 1 1 . 1 1 26 26 SER HA H 26 4.543 4.543 4.723 -0.180 19998 139 1 1 . 1 1 26 26 SER CA C 26 57.773 57.773 57.174 0.599 19998 140 1 1 . 1 1 26 26 SER CB C 26 63.789 63.789 65.964 -2.175 19998 141 1 1 . 1 1 26 26 SER H H 26 7.791 7.791 8.394 -0.603 19998 142 1 1 . 1 1 27 27 THR N N 27 122.390 122.390 121.650 0.740 19998 143 1 1 . 1 1 27 27 THR HA H 27 3.778 3.778 4.266 -0.488 19998 144 1 1 . 1 1 27 27 THR C C 27 172.781 172.781 175.125 -2.344 19998 145 1 1 . 1 1 27 27 THR CA C 27 65.390 65.390 64.547 0.843 19998 146 1 1 . 1 1 27 27 THR CB C 27 68.458 68.458 68.673 -0.215 19998 147 1 1 . 1 1 27 27 THR H H 27 8.874 8.874 8.651 0.223 19998 148 1 1 . 1 1 28 28 LYS N N 28 118.883 118.883 121.398 -2.515 19998 149 1 1 . 1 1 28 28 LYS HA H 28 4.031 4.031 4.161 -0.130 19998 150 1 1 . 1 1 28 28 LYS C C 28 174.613 174.613 177.021 -2.408 19998 151 1 1 . 1 1 28 28 LYS CA C 28 57.799 57.799 58.282 -0.483 19998 152 1 1 . 1 1 28 28 LYS CB C 28 33.164 33.164 32.361 0.804 19998 153 1 1 . 1 1 28 28 LYS H H 28 7.609 7.609 7.990 -0.381 19998 154 1 1 . 1 1 29 29 HIS N N 29 113.398 113.398 115.193 -1.795 19998 155 1 1 . 1 1 29 29 HIS HA H 29 4.284 4.284 4.603 -0.319 19998 156 1 1 . 1 1 29 29 HIS CA C 29 55.586 55.586 55.545 0.040 19998 157 1 1 . 1 1 29 29 HIS CB C 29 29.062 29.062 30.404 -1.342 19998 158 1 1 . 1 1 29 29 HIS H H 29 7.450 7.450 7.970 -0.520 19998 159 1 1 . 1 1 30 30 LYS N N 30 116.344 116.344 118.939 -2.595 19998 160 1 1 . 1 1 30 30 LYS HA H 30 3.888 3.888 4.218 -0.330 19998 161 1 1 . 1 1 30 30 LYS CA C 30 57.500 57.500 57.328 0.172 19998 162 1 1 . 1 1 30 30 LYS CB C 30 29.609 29.609 30.678 -1.069 19998 163 1 1 . 1 1 30 30 LYS H H 30 8.261 8.261 8.428 -0.167 19998 164 1 1 . 1 1 31 31 TRP N N 31 117.766 117.766 114.878 2.888 19998 165 1 1 . 1 1 31 31 TRP HA H 31 5.477 5.477 5.013 0.464 19998 166 1 1 . 1 1 31 31 TRP C C 31 174.754 174.754 174.375 0.379 19998 167 1 1 . 1 1 31 31 TRP CA C 31 55.756 55.756 54.259 1.497 19998 168 1 1 . 1 1 31 31 TRP CB C 31 30.976 30.976 29.786 1.190 19998 169 1 1 . 1 1 31 31 TRP H H 31 8.483 8.483 7.706 0.777 19998 170 1 1 . 1 1 32 32 CYS N N 32 118.984 118.984 123.080 -4.096 19998 171 1 1 . 1 1 32 32 CYS HA H 32 4.747 4.747 4.296 0.451 19998 172 1 1 . 1 1 32 32 CYS C C 32 171.472 171.472 174.730 -3.258 19998 173 1 1 . 1 1 32 32 CYS CA C 32 54.733 54.733 59.166 -4.433 19998 174 1 1 . 1 1 32 32 CYS CB C 32 39.524 39.524 24.561 14.963 19998 175 1 1 . 1 1 32 32 CYS H H 32 8.474 8.474 8.407 0.067 19998 176 1 1 . 1 1 33 33 LYS N N 33 124.672 124.672 123.854 0.818 19998 177 1 1 . 1 1 33 33 LYS HA H 33 4.717 4.717 4.146 0.571 19998 178 1 1 . 1 1 33 33 LYS C C 33 172.236 172.236 175.495 -3.259 19998 179 1 1 . 1 1 33 33 LYS CA C 33 54.730 54.730 54.103 0.627 19998 180 1 1 . 1 1 33 33 LYS CB C 33 35.429 35.429 33.842 1.587 19998 181 1 1 . 1 1 33 33 LYS H H 33 9.027 9.027 8.346 0.681 19998 182 1 1 . 1 1 34 34 TYR N N 34 120.102 120.102 123.677 -3.575 19998 183 1 1 . 1 1 34 34 TYR HA H 34 4.878 4.878 4.555 0.323 19998 184 1 1 . 1 1 34 34 TYR C C 34 174.034 174.034 176.843 -2.809 19998 185 1 1 . 1 1 34 34 TYR CA C 34 59.262 59.262 59.194 0.068 19998 186 1 1 . 1 1 34 34 TYR CB C 34 38.633 38.633 38.072 0.561 19998 187 1 1 . 1 1 34 34 TYR H H 34 8.092 8.092 8.807 -0.715 19998 188 1 1 . 1 1 35 35 GLU N N 35 124.362 124.362 126.535 -2.173 19998 189 1 1 . 1 1 35 35 GLU HA H 35 4.462 4.462 4.270 0.192 19998 190 1 1 . 1 1 35 35 GLU C C 35 172.127 172.127 175.589 -3.462 19998 191 1 1 . 1 1 35 35 GLU CA C 35 56.267 56.267 56.621 -0.354 19998 192 1 1 . 1 1 35 35 GLU CB C 35 30.852 30.852 29.976 0.876 19998 193 1 1 . 1 1 35 35 GLU H H 35 8.754 8.754 8.696 0.058 19998 194 1 2 . 1 1 2 2 ALA N N 2 123.910 123.910 122.495 1.415 19998 195 1 2 . 1 1 2 2 ALA HA H 2 4.464 4.464 4.756 -0.292 19998 196 1 2 . 1 1 2 2 ALA C C 2 174.673 174.673 176.338 -1.665 19998 197 1 2 . 1 1 2 2 ALA CA C 2 52.168 52.168 52.175 -0.007 19998 198 1 2 . 1 1 2 2 ALA CB C 2 19.690 19.690 18.931 0.759 19998 199 1 2 . 1 1 2 2 ALA H H 2 8.561 8.561 8.375 0.186 19998 200 1 2 . 1 1 3 3 CYS N N 3 117.207 117.207 118.952 -1.745 19998 201 1 2 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.687 0.278 19998 202 1 2 . 1 1 3 3 CYS C C 3 170.808 170.808 172.584 -1.776 19998 203 1 2 . 1 1 3 3 CYS CA C 3 54.754 54.754 57.147 -2.393 19998 204 1 2 . 1 1 3 3 CYS CB C 3 44.067 44.067 29.043 15.024 19998 205 1 2 . 1 1 3 3 CYS H H 3 8.335 8.335 8.236 0.099 19998 206 1 2 . 1 1 4 4 LEU N N 4 121.828 121.828 122.655 -0.827 19998 207 1 2 . 1 1 4 4 LEU HA H 4 4.345 4.345 4.604 -0.259 19998 208 1 2 . 1 1 4 4 LEU C C 4 172.234 172.234 177.204 -4.970 19998 209 1 2 . 1 1 4 4 LEU CA C 4 54.223 54.223 54.041 0.182 19998 210 1 2 . 1 1 4 4 LEU CB C 4 44.578 44.578 43.998 0.580 19998 211 1 2 . 1 1 4 4 LEU H H 4 8.815 8.815 8.353 0.462 19998 212 1 2 . 1 1 5 5 GLY N N 5 107.508 107.508 110.365 -2.857 19998 213 1 2 . 1 1 5 5 GLY C C 5 169.768 169.768 173.419 -3.651 19998 214 1 2 . 1 1 5 5 GLY CA C 5 43.052 43.052 43.986 -0.934 19998 215 1 2 . 1 1 5 5 GLY H H 5 7.999 7.999 8.326 -0.327 19998 216 1 2 . 1 1 6 6 PHE N N 6 116.953 116.953 120.453 -3.500 19998 217 1 2 . 1 1 6 6 PHE HA H 6 3.619 3.619 3.962 -0.343 19998 218 1 2 . 1 1 6 6 PHE C C 6 174.967 174.967 177.333 -2.366 19998 219 1 2 . 1 1 6 6 PHE CA C 6 60.101 60.101 58.623 1.478 19998 220 1 2 . 1 1 6 6 PHE CB C 6 39.506 39.506 39.001 0.505 19998 221 1 2 . 1 1 6 6 PHE H H 6 8.392 8.392 8.250 0.142 19998 222 1 2 . 1 1 7 7 GLY N N 7 115.074 115.074 114.626 0.448 19998 223 1 2 . 1 1 7 7 GLY C C 7 171.017 171.017 173.457 -2.440 19998 224 1 2 . 1 1 7 7 GLY CA C 7 44.844 44.844 44.687 0.157 19998 225 1 2 . 1 1 7 7 GLY H H 7 8.645 8.645 7.568 1.077 19998 226 1 2 . 1 1 8 8 LYS N N 8 120.051 120.051 120.554 -0.503 19998 227 1 2 . 1 1 8 8 LYS HA H 8 4.313 4.313 4.604 -0.291 19998 228 1 2 . 1 1 8 8 LYS C C 8 173.878 173.878 176.127 -2.249 19998 229 1 2 . 1 1 8 8 LYS CA C 8 54.570 54.570 54.126 0.444 19998 230 1 2 . 1 1 8 8 LYS CB C 8 32.391 32.391 33.968 -1.577 19998 231 1 2 . 1 1 8 8 LYS H H 8 7.429 7.429 7.368 0.061 19998 232 1 2 . 1 1 9 9 SER N N 9 117.004 117.004 118.068 -1.064 19998 233 1 2 . 1 1 9 9 SER HA H 9 4.315 4.315 4.613 -0.298 19998 234 1 2 . 1 1 9 9 SER C C 9 170.486 170.486 174.353 -3.867 19998 235 1 2 . 1 1 9 9 SER CB C 9 63.355 63.355 62.662 0.693 19998 236 1 2 . 1 1 9 9 SER H H 9 8.542 8.542 8.544 -0.002 19998 237 1 2 . 1 1 10 10 CYS N N 10 119.238 119.238 120.647 -1.409 19998 238 1 2 . 1 1 10 10 CYS HA H 10 4.833 4.833 4.768 0.065 19998 239 1 2 . 1 1 10 10 CYS C C 10 168.106 168.106 172.973 -4.867 19998 240 1 2 . 1 1 10 10 CYS CA C 10 53.907 53.907 55.973 -2.066 19998 241 1 2 . 1 1 10 10 CYS CB C 10 45.841 45.841 30.385 15.456 19998 242 1 2 . 1 1 10 10 CYS H H 10 8.188 8.188 8.312 -0.124 19998 243 1 2 . 1 1 11 11 ASN N N 11 119.594 119.594 118.793 0.801 19998 244 1 2 . 1 1 11 11 ASN HA H 11 5.124 5.124 5.199 -0.075 19998 245 1 2 . 1 1 11 11 ASN CA C 11 48.476 48.476 49.733 -1.257 19998 246 1 2 . 1 1 11 11 ASN CB C 11 40.000 40.000 41.047 -1.047 19998 247 1 2 . 1 1 11 11 ASN H H 11 9.129 9.129 8.612 0.517 19998 248 1 2 . 1 1 12 12 PRO HA H 12 3.848 3.848 4.462 -0.614 19998 249 1 2 . 1 1 12 12 PRO C C 12 174.197 174.197 178.465 -4.268 19998 250 1 2 . 1 1 12 12 PRO CA C 12 64.689 64.689 64.957 -0.268 19998 251 1 2 . 1 1 12 12 PRO CB C 12 31.883 31.883 32.257 -0.374 19998 252 1 2 . 1 1 13 13 SER N N 13 110.351 110.351 112.428 -2.077 19998 253 1 2 . 1 1 13 13 SER HA H 13 4.394 4.394 4.238 0.156 19998 254 1 2 . 1 1 13 13 SER C C 13 170.980 170.980 173.975 -2.995 19998 255 1 2 . 1 1 13 13 SER CA C 13 59.326 59.326 59.889 -0.563 19998 256 1 2 . 1 1 13 13 SER CB C 13 63.380 63.380 63.053 0.327 19998 257 1 2 . 1 1 13 13 SER H H 13 7.785 7.785 8.402 -0.617 19998 258 1 2 . 1 1 14 14 ASN N N 14 120.660 120.660 118.112 2.548 19998 259 1 2 . 1 1 14 14 ASN HA H 14 4.638 4.638 4.895 -0.257 19998 260 1 2 . 1 1 14 14 ASN C C 14 171.412 171.412 173.489 -2.077 19998 261 1 2 . 1 1 14 14 ASN CA C 14 52.806 52.806 51.722 1.084 19998 262 1 2 . 1 1 14 14 ASN CB C 14 37.810 37.810 38.949 -1.139 19998 263 1 2 . 1 1 14 14 ASN H H 14 7.613 7.613 7.780 -0.167 19998 264 1 2 . 1 1 15 15 ASP N N 15 124.062 124.062 121.430 2.632 19998 265 1 2 . 1 1 15 15 ASP HA H 15 4.110 4.110 4.490 -0.380 19998 266 1 2 . 1 1 15 15 ASP C C 15 174.918 174.918 175.699 -0.781 19998 267 1 2 . 1 1 15 15 ASP CA C 15 55.774 55.774 54.805 0.969 19998 268 1 2 . 1 1 15 15 ASP CB C 15 41.360 41.360 40.632 0.729 19998 269 1 2 . 1 1 15 15 ASP H H 15 8.695 8.695 7.997 0.698 19998 270 1 2 . 1 1 16 16 GLN N N 16 127.008 127.008 122.267 4.741 19998 271 1 2 . 1 1 16 16 GLN HA H 16 4.613 4.613 4.582 0.031 19998 272 1 2 . 1 1 16 16 GLN C C 16 173.874 173.874 174.059 -0.185 19998 273 1 2 . 1 1 16 16 GLN CA C 16 54.522 54.522 54.776 -0.254 19998 274 1 2 . 1 1 16 16 GLN CB C 16 28.327 28.327 29.120 -0.793 19998 275 1 2 . 1 1 16 16 GLN H H 16 8.041 8.041 8.580 -0.539 19998 276 1 2 . 1 1 17 17 CYS N N 17 122.234 122.234 119.010 3.224 19998 277 1 2 . 1 1 17 17 CYS HA H 17 4.983 4.983 4.813 0.170 19998 278 1 2 . 1 1 17 17 CYS C C 17 173.908 173.908 174.775 -0.867 19998 279 1 2 . 1 1 17 17 CYS CA C 17 56.486 56.486 57.718 -1.232 19998 280 1 2 . 1 1 17 17 CYS CB C 17 38.906 38.906 30.543 8.363 19998 281 1 2 . 1 1 17 17 CYS H H 17 9.314 9.314 8.185 1.129 19998 282 1 2 . 1 1 18 18 CYS N N 18 118.883 118.883 122.612 -3.729 19998 283 1 2 . 1 1 18 18 CYS HA H 18 4.608 4.608 4.526 0.083 19998 284 1 2 . 1 1 18 18 CYS C C 18 172.722 172.722 176.017 -3.295 19998 285 1 2 . 1 1 18 18 CYS CA C 18 55.521 55.521 59.115 -3.595 19998 286 1 2 . 1 1 18 18 CYS CB C 18 41.367 41.367 26.172 15.195 19998 287 1 2 . 1 1 18 18 CYS H H 18 9.192 9.192 8.578 0.614 19998 288 1 2 . 1 1 19 19 LYS N N 19 131.730 131.730 126.928 4.802 19998 289 1 2 . 1 1 19 19 LYS HA H 19 4.332 4.332 4.092 0.240 19998 290 1 2 . 1 1 19 19 LYS C C 19 177.997 177.997 179.021 -1.024 19998 291 1 2 . 1 1 19 19 LYS CA C 19 58.426 58.426 58.764 -0.338 19998 292 1 2 . 1 1 19 19 LYS CB C 19 31.319 31.319 32.166 -0.847 19998 293 1 2 . 1 1 19 19 LYS H H 19 8.890 8.890 8.579 0.311 19998 294 1 2 . 1 1 20 20 SER N N 20 115.887 115.887 115.179 0.708 19998 295 1 2 . 1 1 20 20 SER HA H 20 4.334 4.334 4.301 0.033 19998 296 1 2 . 1 1 20 20 SER C C 20 172.946 172.946 175.375 -2.429 19998 297 1 2 . 1 1 20 20 SER CA C 20 60.311 60.311 60.586 -0.275 19998 298 1 2 . 1 1 20 20 SER CB C 20 62.327 62.327 62.843 -0.515 19998 299 1 2 . 1 1 20 20 SER H H 20 8.856 8.856 8.497 0.359 19998 300 1 2 . 1 1 21 21 SER N N 21 116.191 116.191 115.395 0.796 19998 301 1 2 . 1 1 21 21 SER HA H 21 4.833 4.833 4.599 0.234 19998 302 1 2 . 1 1 21 21 SER C C 21 170.505 170.505 173.103 -2.598 19998 303 1 2 . 1 1 21 21 SER CA C 21 57.500 57.500 57.808 -0.308 19998 304 1 2 . 1 1 21 21 SER CB C 21 63.852 63.852 63.695 0.157 19998 305 1 2 . 1 1 21 21 SER H H 21 7.068 7.068 7.456 -0.388 19998 306 1 2 . 1 1 22 22 SER N N 22 111.723 111.723 117.098 -5.375 19998 307 1 2 . 1 1 22 22 SER HA H 22 4.099 4.099 4.092 0.007 19998 308 1 2 . 1 1 22 22 SER C C 22 170.369 170.369 173.005 -2.636 19998 309 1 2 . 1 1 22 22 SER CA C 22 59.140 59.140 58.976 0.164 19998 310 1 2 . 1 1 22 22 SER CB C 22 61.339 61.339 62.093 -0.754 19998 311 1 2 . 1 1 22 22 SER H H 22 8.113 8.113 8.088 0.025 19998 312 1 2 . 1 1 23 23 LEU N N 23 115.988 115.988 119.695 -3.707 19998 313 1 2 . 1 1 23 23 LEU HA H 23 4.898 4.898 4.907 -0.009 19998 314 1 2 . 1 1 23 23 LEU C C 23 173.712 173.712 175.232 -1.520 19998 315 1 2 . 1 1 23 23 LEU CA C 23 53.083 53.083 53.382 -0.299 19998 316 1 2 . 1 1 23 23 LEU CB C 23 46.062 46.062 45.637 0.425 19998 317 1 2 . 1 1 23 23 LEU H H 23 7.111 7.111 7.582 -0.471 19998 318 1 2 . 1 1 24 24 ALA N N 24 119.898 119.898 120.465 -0.567 19998 319 1 2 . 1 1 24 24 ALA HA H 24 4.466 4.466 4.647 -0.181 19998 320 1 2 . 1 1 24 24 ALA C C 24 173.491 173.491 174.713 -1.222 19998 321 1 2 . 1 1 24 24 ALA CA C 24 51.167 51.167 51.726 -0.559 19998 322 1 2 . 1 1 24 24 ALA CB C 24 23.237 23.237 21.725 1.512 19998 323 1 2 . 1 1 24 24 ALA H H 24 8.904 8.904 7.717 1.187 19998 324 1 2 . 1 1 25 25 CYS N N 25 122.945 122.945 121.391 1.554 19998 325 1 2 . 1 1 25 25 CYS HA H 25 4.452 4.452 4.984 -0.532 19998 326 1 2 . 1 1 25 25 CYS C C 25 171.574 171.574 175.035 -3.461 19998 327 1 2 . 1 1 25 25 CYS CA C 25 56.132 56.132 57.824 -1.692 19998 328 1 2 . 1 1 25 25 CYS CB C 25 39.179 39.179 26.571 12.608 19998 329 1 2 . 1 1 25 25 CYS H H 25 9.847 9.847 8.643 1.204 19998 330 1 2 . 1 1 26 26 SER N N 26 122.285 122.285 123.472 -1.187 19998 331 1 2 . 1 1 26 26 SER HA H 26 4.543 4.543 4.768 -0.225 19998 332 1 2 . 1 1 26 26 SER CA C 26 57.773 57.773 57.608 0.165 19998 333 1 2 . 1 1 26 26 SER CB C 26 63.789 63.789 65.378 -1.589 19998 334 1 2 . 1 1 26 26 SER H H 26 7.791 7.791 8.367 -0.576 19998 335 1 2 . 1 1 27 27 THR N N 27 122.390 122.390 120.037 2.353 19998 336 1 2 . 1 1 27 27 THR HA H 27 3.778 3.778 4.281 -0.503 19998 337 1 2 . 1 1 27 27 THR C C 27 172.781 172.781 175.165 -2.384 19998 338 1 2 . 1 1 27 27 THR CA C 27 65.390 65.390 64.390 1.000 19998 339 1 2 . 1 1 27 27 THR CB C 27 68.458 68.458 68.779 -0.321 19998 340 1 2 . 1 1 27 27 THR H H 27 8.874 8.874 8.665 0.209 19998 341 1 2 . 1 1 28 28 LYS N N 28 118.883 118.883 120.928 -2.045 19998 342 1 2 . 1 1 28 28 LYS HA H 28 4.031 4.031 4.169 -0.138 19998 343 1 2 . 1 1 28 28 LYS C C 28 174.613 174.613 176.916 -2.303 19998 344 1 2 . 1 1 28 28 LYS CA C 28 57.799 57.799 58.568 -0.769 19998 345 1 2 . 1 1 28 28 LYS CB C 28 33.164 33.164 32.548 0.616 19998 346 1 2 . 1 1 28 28 LYS H H 28 7.609 7.609 7.976 -0.367 19998 347 1 2 . 1 1 29 29 HIS N N 29 113.398 113.398 114.876 -1.478 19998 348 1 2 . 1 1 29 29 HIS HA H 29 4.284 4.284 4.627 -0.343 19998 349 1 2 . 1 1 29 29 HIS CA C 29 55.586 55.586 55.380 0.206 19998 350 1 2 . 1 1 29 29 HIS CB C 29 29.062 29.062 30.595 -1.533 19998 351 1 2 . 1 1 29 29 HIS H H 29 7.450 7.450 7.999 -0.549 19998 352 1 2 . 1 1 30 30 LYS N N 30 116.344 116.344 119.034 -2.690 19998 353 1 2 . 1 1 30 30 LYS HA H 30 3.888 3.888 4.218 -0.330 19998 354 1 2 . 1 1 30 30 LYS CA C 30 57.500 57.500 57.344 0.156 19998 355 1 2 . 1 1 30 30 LYS CB C 30 29.609 29.609 30.658 -1.049 19998 356 1 2 . 1 1 30 30 LYS H H 30 8.261 8.261 8.429 -0.168 19998 357 1 2 . 1 1 31 31 TRP N N 31 117.766 117.766 114.879 2.887 19998 358 1 2 . 1 1 31 31 TRP HA H 31 5.477 5.477 5.028 0.449 19998 359 1 2 . 1 1 31 31 TRP C C 31 174.754 174.754 174.428 0.326 19998 360 1 2 . 1 1 31 31 TRP CA C 31 55.756 55.756 54.198 1.558 19998 361 1 2 . 1 1 31 31 TRP CB C 31 30.976 30.976 29.799 1.177 19998 362 1 2 . 1 1 31 31 TRP H H 31 8.483 8.483 7.739 0.744 19998 363 1 2 . 1 1 32 32 CYS N N 32 118.984 118.984 123.031 -4.047 19998 364 1 2 . 1 1 32 32 CYS HA H 32 4.747 4.747 4.315 0.432 19998 365 1 2 . 1 1 32 32 CYS C C 32 171.472 171.472 174.765 -3.293 19998 366 1 2 . 1 1 32 32 CYS CA C 32 54.733 54.733 59.177 -4.444 19998 367 1 2 . 1 1 32 32 CYS CB C 32 39.524 39.524 24.550 14.974 19998 368 1 2 . 1 1 32 32 CYS H H 32 8.474 8.474 8.421 0.053 19998 369 1 2 . 1 1 33 33 LYS N N 33 124.672 124.672 123.831 0.841 19998 370 1 2 . 1 1 33 33 LYS HA H 33 4.717 4.717 4.115 0.602 19998 371 1 2 . 1 1 33 33 LYS C C 33 172.236 172.236 175.470 -3.234 19998 372 1 2 . 1 1 33 33 LYS CA C 33 54.730 54.730 54.139 0.591 19998 373 1 2 . 1 1 33 33 LYS CB C 33 35.429 35.429 33.870 1.558 19998 374 1 2 . 1 1 33 33 LYS H H 33 9.027 9.027 8.358 0.669 19998 375 1 2 . 1 1 34 34 TYR N N 34 120.102 120.102 123.081 -2.979 19998 376 1 2 . 1 1 34 34 TYR HA H 34 4.878 4.878 4.569 0.309 19998 377 1 2 . 1 1 34 34 TYR C C 34 174.034 174.034 176.801 -2.767 19998 378 1 2 . 1 1 34 34 TYR CA C 34 59.262 59.262 58.888 0.374 19998 379 1 2 . 1 1 34 34 TYR CB C 34 38.633 38.633 37.945 0.688 19998 380 1 2 . 1 1 34 34 TYR H H 34 8.092 8.092 8.741 -0.649 19998 381 1 2 . 1 1 35 35 GLU N N 35 124.362 124.362 126.242 -1.880 19998 382 1 2 . 1 1 35 35 GLU HA H 35 4.462 4.462 4.341 0.121 19998 383 1 2 . 1 1 35 35 GLU C C 35 172.127 172.127 175.168 -3.041 19998 384 1 2 . 1 1 35 35 GLU CA C 35 56.267 56.267 56.221 0.045 19998 385 1 2 . 1 1 35 35 GLU CB C 35 30.852 30.852 29.846 1.006 19998 386 1 2 . 1 1 35 35 GLU H H 35 8.754 8.754 8.576 0.178 19998 387 1 3 . 1 1 2 2 ALA N N 2 123.910 123.910 122.444 1.466 19998 388 1 3 . 1 1 2 2 ALA HA H 2 4.464 4.464 4.710 -0.246 19998 389 1 3 . 1 1 2 2 ALA C C 2 174.673 174.673 176.233 -1.560 19998 390 1 3 . 1 1 2 2 ALA CA C 2 52.168 52.168 52.208 -0.040 19998 391 1 3 . 1 1 2 2 ALA CB C 2 19.690 19.690 18.773 0.917 19998 392 1 3 . 1 1 2 2 ALA H H 2 8.561 8.561 8.274 0.287 19998 393 1 3 . 1 1 3 3 CYS N N 3 117.207 117.207 118.904 -1.697 19998 394 1 3 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.689 0.276 19998 395 1 3 . 1 1 3 3 CYS C C 3 170.808 170.808 172.638 -1.830 19998 396 1 3 . 1 1 3 3 CYS CA C 3 54.754 54.754 57.084 -2.329 19998 397 1 3 . 1 1 3 3 CYS CB C 3 44.067 44.067 29.124 14.943 19998 398 1 3 . 1 1 3 3 CYS H H 3 8.335 8.335 8.203 0.132 19998 399 1 3 . 1 1 4 4 LEU N N 4 121.828 121.828 122.686 -0.858 19998 400 1 3 . 1 1 4 4 LEU HA H 4 4.345 4.345 4.602 -0.257 19998 401 1 3 . 1 1 4 4 LEU C C 4 172.234 172.234 177.241 -5.007 19998 402 1 3 . 1 1 4 4 LEU CA C 4 54.223 54.223 54.041 0.182 19998 403 1 3 . 1 1 4 4 LEU CB C 4 44.578 44.578 43.839 0.739 19998 404 1 3 . 1 1 4 4 LEU H H 4 8.815 8.815 8.368 0.447 19998 405 1 3 . 1 1 5 5 GLY N N 5 107.508 107.508 110.451 -2.943 19998 406 1 3 . 1 1 5 5 GLY C C 5 169.768 169.768 173.425 -3.657 19998 407 1 3 . 1 1 5 5 GLY CA C 5 43.052 43.052 44.042 -0.990 19998 408 1 3 . 1 1 5 5 GLY H H 5 7.999 7.999 8.305 -0.306 19998 409 1 3 . 1 1 6 6 PHE N N 6 116.953 116.953 120.426 -3.473 19998 410 1 3 . 1 1 6 6 PHE HA H 6 3.619 3.619 3.978 -0.359 19998 411 1 3 . 1 1 6 6 PHE C C 6 174.967 174.967 177.332 -2.365 19998 412 1 3 . 1 1 6 6 PHE CA C 6 60.101 60.101 58.644 1.457 19998 413 1 3 . 1 1 6 6 PHE CB C 6 39.506 39.506 39.067 0.439 19998 414 1 3 . 1 1 6 6 PHE H H 6 8.392 8.392 8.224 0.168 19998 415 1 3 . 1 1 7 7 GLY N N 7 115.074 115.074 114.615 0.459 19998 416 1 3 . 1 1 7 7 GLY C C 7 171.017 171.017 173.494 -2.477 19998 417 1 3 . 1 1 7 7 GLY CA C 7 44.844 44.844 44.787 0.057 19998 418 1 3 . 1 1 7 7 GLY H H 7 8.645 8.645 7.553 1.092 19998 419 1 3 . 1 1 8 8 LYS N N 8 120.051 120.051 120.717 -0.666 19998 420 1 3 . 1 1 8 8 LYS HA H 8 4.313 4.313 4.611 -0.298 19998 421 1 3 . 1 1 8 8 LYS C C 8 173.878 173.878 175.970 -2.092 19998 422 1 3 . 1 1 8 8 LYS CA C 8 54.570 54.570 54.239 0.331 19998 423 1 3 . 1 1 8 8 LYS CB C 8 32.391 32.391 34.181 -1.790 19998 424 1 3 . 1 1 8 8 LYS H H 8 7.429 7.429 7.369 0.060 19998 425 1 3 . 1 1 9 9 SER N N 9 117.004 117.004 117.334 -0.330 19998 426 1 3 . 1 1 9 9 SER HA H 9 4.315 4.315 4.627 -0.312 19998 427 1 3 . 1 1 9 9 SER C C 9 170.486 170.486 174.401 -3.915 19998 428 1 3 . 1 1 9 9 SER CB C 9 63.355 63.355 62.890 0.465 19998 429 1 3 . 1 1 9 9 SER H H 9 8.542 8.542 8.512 0.030 19998 430 1 3 . 1 1 10 10 CYS N N 10 119.238 119.238 121.616 -2.378 19998 431 1 3 . 1 1 10 10 CYS HA H 10 4.833 4.833 4.758 0.075 19998 432 1 3 . 1 1 10 10 CYS C C 10 168.106 168.106 173.623 -5.517 19998 433 1 3 . 1 1 10 10 CYS CA C 10 53.907 53.907 55.949 -2.042 19998 434 1 3 . 1 1 10 10 CYS CB C 10 45.841 45.841 30.297 15.544 19998 435 1 3 . 1 1 10 10 CYS H H 10 8.188 8.188 8.525 -0.337 19998 436 1 3 . 1 1 11 11 ASN N N 11 119.594 119.594 118.870 0.724 19998 437 1 3 . 1 1 11 11 ASN HA H 11 5.124 5.124 5.198 -0.074 19998 438 1 3 . 1 1 11 11 ASN CA C 11 48.476 48.476 49.560 -1.084 19998 439 1 3 . 1 1 11 11 ASN CB C 11 40.000 40.000 40.327 -0.327 19998 440 1 3 . 1 1 11 11 ASN H H 11 9.129 9.129 8.600 0.529 19998 441 1 3 . 1 1 12 12 PRO HA H 12 3.848 3.848 4.465 -0.617 19998 442 1 3 . 1 1 12 12 PRO C C 12 174.197 174.197 178.493 -4.296 19998 443 1 3 . 1 1 12 12 PRO CA C 12 64.689 64.689 64.865 -0.176 19998 444 1 3 . 1 1 12 12 PRO CB C 12 31.883 31.883 32.275 -0.392 19998 445 1 3 . 1 1 13 13 SER N N 13 110.351 110.351 112.541 -2.190 19998 446 1 3 . 1 1 13 13 SER HA H 13 4.394 4.394 4.225 0.169 19998 447 1 3 . 1 1 13 13 SER C C 13 170.980 170.980 173.964 -2.984 19998 448 1 3 . 1 1 13 13 SER CA C 13 59.326 59.326 59.886 -0.560 19998 449 1 3 . 1 1 13 13 SER CB C 13 63.380 63.380 63.084 0.297 19998 450 1 3 . 1 1 13 13 SER H H 13 7.785 7.785 8.393 -0.608 19998 451 1 3 . 1 1 14 14 ASN N N 14 120.660 120.660 117.854 2.806 19998 452 1 3 . 1 1 14 14 ASN HA H 14 4.638 4.638 4.807 -0.169 19998 453 1 3 . 1 1 14 14 ASN C C 14 171.412 171.412 173.758 -2.346 19998 454 1 3 . 1 1 14 14 ASN CA C 14 52.806 52.806 52.196 0.610 19998 455 1 3 . 1 1 14 14 ASN CB C 14 37.810 37.810 39.153 -1.343 19998 456 1 3 . 1 1 14 14 ASN H H 14 7.613 7.613 7.851 -0.238 19998 457 1 3 . 1 1 15 15 ASP N N 15 124.062 124.062 121.584 2.478 19998 458 1 3 . 1 1 15 15 ASP HA H 15 4.110 4.110 4.536 -0.426 19998 459 1 3 . 1 1 15 15 ASP C C 15 174.918 174.918 175.762 -0.844 19998 460 1 3 . 1 1 15 15 ASP CA C 15 55.774 55.774 54.719 1.055 19998 461 1 3 . 1 1 15 15 ASP CB C 15 41.360 41.360 40.472 0.888 19998 462 1 3 . 1 1 15 15 ASP H H 15 8.695 8.695 8.035 0.660 19998 463 1 3 . 1 1 16 16 GLN N N 16 127.008 127.008 123.333 3.675 19998 464 1 3 . 1 1 16 16 GLN HA H 16 4.613 4.613 4.514 0.099 19998 465 1 3 . 1 1 16 16 GLN C C 16 173.874 173.874 174.281 -0.407 19998 466 1 3 . 1 1 16 16 GLN CA C 16 54.522 54.522 55.126 -0.604 19998 467 1 3 . 1 1 16 16 GLN CB C 16 28.327 28.327 29.430 -1.103 19998 468 1 3 . 1 1 16 16 GLN H H 16 8.041 8.041 8.645 -0.604 19998 469 1 3 . 1 1 17 17 CYS N N 17 122.234 122.234 118.537 3.697 19998 470 1 3 . 1 1 17 17 CYS HA H 17 4.983 4.983 4.768 0.215 19998 471 1 3 . 1 1 17 17 CYS C C 17 173.908 173.908 174.853 -0.945 19998 472 1 3 . 1 1 17 17 CYS CA C 17 56.486 56.486 57.626 -1.140 19998 473 1 3 . 1 1 17 17 CYS CB C 17 38.906 38.906 30.562 8.344 19998 474 1 3 . 1 1 17 17 CYS H H 17 9.314 9.314 8.058 1.256 19998 475 1 3 . 1 1 18 18 CYS N N 18 118.883 118.883 122.722 -3.839 19998 476 1 3 . 1 1 18 18 CYS HA H 18 4.608 4.608 4.491 0.117 19998 477 1 3 . 1 1 18 18 CYS C C 18 172.722 172.722 175.890 -3.168 19998 478 1 3 . 1 1 18 18 CYS CA C 18 55.521 55.521 59.290 -3.769 19998 479 1 3 . 1 1 18 18 CYS CB C 18 41.367 41.367 25.878 15.489 19998 480 1 3 . 1 1 18 18 CYS H H 18 9.192 9.192 8.585 0.607 19998 481 1 3 . 1 1 19 19 LYS N N 19 131.730 131.730 126.268 5.462 19998 482 1 3 . 1 1 19 19 LYS HA H 19 4.332 4.332 4.099 0.233 19998 483 1 3 . 1 1 19 19 LYS C C 19 177.997 177.997 178.589 -0.592 19998 484 1 3 . 1 1 19 19 LYS CA C 19 58.426 58.426 58.885 -0.459 19998 485 1 3 . 1 1 19 19 LYS CB C 19 31.319 31.319 32.207 -0.888 19998 486 1 3 . 1 1 19 19 LYS H H 19 8.890 8.890 8.499 0.391 19998 487 1 3 . 1 1 20 20 SER N N 20 115.887 115.887 113.821 2.066 19998 488 1 3 . 1 1 20 20 SER HA H 20 4.334 4.334 4.248 0.086 19998 489 1 3 . 1 1 20 20 SER C C 20 172.946 172.946 175.515 -2.569 19998 490 1 3 . 1 1 20 20 SER CA C 20 60.311 60.311 60.682 -0.371 19998 491 1 3 . 1 1 20 20 SER CB C 20 62.327 62.327 62.298 0.029 19998 492 1 3 . 1 1 20 20 SER H H 20 8.856 8.856 8.671 0.185 19998 493 1 3 . 1 1 21 21 SER N N 21 116.191 116.191 115.576 0.615 19998 494 1 3 . 1 1 21 21 SER HA H 21 4.833 4.833 4.628 0.205 19998 495 1 3 . 1 1 21 21 SER C C 21 170.505 170.505 173.417 -2.912 19998 496 1 3 . 1 1 21 21 SER CA C 21 57.500 57.500 58.150 -0.650 19998 497 1 3 . 1 1 21 21 SER CB C 21 63.852 63.852 63.561 0.291 19998 498 1 3 . 1 1 21 21 SER H H 21 7.068 7.068 7.555 -0.487 19998 499 1 3 . 1 1 22 22 SER N N 22 111.723 111.723 115.581 -3.858 19998 500 1 3 . 1 1 22 22 SER HA H 22 4.099 4.099 4.127 -0.028 19998 501 1 3 . 1 1 22 22 SER C C 22 170.369 170.369 173.012 -2.643 19998 502 1 3 . 1 1 22 22 SER CA C 22 59.140 59.140 59.728 -0.588 19998 503 1 3 . 1 1 22 22 SER CB C 22 61.339 61.339 61.350 -0.011 19998 504 1 3 . 1 1 22 22 SER H H 22 8.113 8.113 8.275 -0.162 19998 505 1 3 . 1 1 23 23 LEU N N 23 115.988 115.988 118.587 -2.599 19998 506 1 3 . 1 1 23 23 LEU HA H 23 4.898 4.898 4.938 -0.040 19998 507 1 3 . 1 1 23 23 LEU C C 23 173.712 173.712 175.607 -1.895 19998 508 1 3 . 1 1 23 23 LEU CA C 23 53.083 53.083 53.355 -0.272 19998 509 1 3 . 1 1 23 23 LEU CB C 23 46.062 46.062 45.624 0.438 19998 510 1 3 . 1 1 23 23 LEU H H 23 7.111 7.111 7.553 -0.442 19998 511 1 3 . 1 1 24 24 ALA N N 24 119.898 119.898 120.943 -1.045 19998 512 1 3 . 1 1 24 24 ALA HA H 24 4.466 4.466 4.647 -0.181 19998 513 1 3 . 1 1 24 24 ALA C C 24 173.491 173.491 174.689 -1.198 19998 514 1 3 . 1 1 24 24 ALA CA C 24 51.167 51.167 51.757 -0.590 19998 515 1 3 . 1 1 24 24 ALA CB C 24 23.237 23.237 21.712 1.525 19998 516 1 3 . 1 1 24 24 ALA H H 24 8.904 8.904 7.793 1.111 19998 517 1 3 . 1 1 25 25 CYS N N 25 122.945 122.945 121.154 1.791 19998 518 1 3 . 1 1 25 25 CYS HA H 25 4.452 4.452 4.960 -0.508 19998 519 1 3 . 1 1 25 25 CYS C C 25 171.574 171.574 175.243 -3.669 19998 520 1 3 . 1 1 25 25 CYS CA C 25 56.132 56.132 57.659 -1.527 19998 521 1 3 . 1 1 25 25 CYS CB C 25 39.179 39.179 26.509 12.670 19998 522 1 3 . 1 1 25 25 CYS H H 25 9.847 9.847 8.702 1.145 19998 523 1 3 . 1 1 26 26 SER N N 26 122.285 122.285 123.434 -1.149 19998 524 1 3 . 1 1 26 26 SER HA H 26 4.543 4.543 4.704 -0.161 19998 525 1 3 . 1 1 26 26 SER CA C 26 57.773 57.773 57.405 0.368 19998 526 1 3 . 1 1 26 26 SER CB C 26 63.789 63.789 65.941 -2.152 19998 527 1 3 . 1 1 26 26 SER H H 26 7.791 7.791 8.341 -0.550 19998 528 1 3 . 1 1 27 27 THR N N 27 122.390 122.390 121.109 1.281 19998 529 1 3 . 1 1 27 27 THR HA H 27 3.778 3.778 4.277 -0.499 19998 530 1 3 . 1 1 27 27 THR C C 27 172.781 172.781 175.071 -2.290 19998 531 1 3 . 1 1 27 27 THR CA C 27 65.390 65.390 64.247 1.143 19998 532 1 3 . 1 1 27 27 THR CB C 27 68.458 68.458 68.576 -0.118 19998 533 1 3 . 1 1 27 27 THR H H 27 8.874 8.874 8.669 0.205 19998 534 1 3 . 1 1 28 28 LYS N N 28 118.883 118.883 120.799 -1.916 19998 535 1 3 . 1 1 28 28 LYS HA H 28 4.031 4.031 4.174 -0.143 19998 536 1 3 . 1 1 28 28 LYS C C 28 174.613 174.613 176.887 -2.274 19998 537 1 3 . 1 1 28 28 LYS CA C 28 57.799 57.799 58.592 -0.793 19998 538 1 3 . 1 1 28 28 LYS CB C 28 33.164 33.164 32.455 0.709 19998 539 1 3 . 1 1 28 28 LYS H H 28 7.609 7.609 7.985 -0.376 19998 540 1 3 . 1 1 29 29 HIS N N 29 113.398 113.398 114.902 -1.504 19998 541 1 3 . 1 1 29 29 HIS HA H 29 4.284 4.284 4.621 -0.337 19998 542 1 3 . 1 1 29 29 HIS CA C 29 55.586 55.586 55.368 0.218 19998 543 1 3 . 1 1 29 29 HIS CB C 29 29.062 29.062 30.575 -1.513 19998 544 1 3 . 1 1 29 29 HIS H H 29 7.450 7.450 7.991 -0.541 19998 545 1 3 . 1 1 30 30 LYS N N 30 116.344 116.344 118.999 -2.655 19998 546 1 3 . 1 1 30 30 LYS HA H 30 3.888 3.888 4.212 -0.324 19998 547 1 3 . 1 1 30 30 LYS CA C 30 57.500 57.500 57.353 0.147 19998 548 1 3 . 1 1 30 30 LYS CB C 30 29.609 29.609 30.653 -1.044 19998 549 1 3 . 1 1 30 30 LYS H H 30 8.261 8.261 8.423 -0.162 19998 550 1 3 . 1 1 31 31 TRP N N 31 117.766 117.766 114.856 2.910 19998 551 1 3 . 1 1 31 31 TRP HA H 31 5.477 5.477 5.016 0.461 19998 552 1 3 . 1 1 31 31 TRP C C 31 174.754 174.754 174.392 0.362 19998 553 1 3 . 1 1 31 31 TRP CA C 31 55.756 55.756 54.194 1.562 19998 554 1 3 . 1 1 31 31 TRP CB C 31 30.976 30.976 29.791 1.185 19998 555 1 3 . 1 1 31 31 TRP H H 31 8.483 8.483 7.718 0.765 19998 556 1 3 . 1 1 32 32 CYS N N 32 118.984 118.984 123.013 -4.029 19998 557 1 3 . 1 1 32 32 CYS HA H 32 4.747 4.747 4.285 0.462 19998 558 1 3 . 1 1 32 32 CYS C C 32 171.472 171.472 174.652 -3.180 19998 559 1 3 . 1 1 32 32 CYS CA C 32 54.733 54.733 59.132 -4.399 19998 560 1 3 . 1 1 32 32 CYS CB C 32 39.524 39.524 24.511 15.013 19998 561 1 3 . 1 1 32 32 CYS H H 32 8.474 8.474 8.391 0.083 19998 562 1 3 . 1 1 33 33 LYS N N 33 124.672 124.672 123.752 0.920 19998 563 1 3 . 1 1 33 33 LYS HA H 33 4.717 4.717 3.849 0.868 19998 564 1 3 . 1 1 33 33 LYS C C 33 172.236 172.236 175.407 -3.171 19998 565 1 3 . 1 1 33 33 LYS CA C 33 54.730 54.730 54.026 0.704 19998 566 1 3 . 1 1 33 33 LYS CB C 33 35.429 35.429 33.847 1.581 19998 567 1 3 . 1 1 33 33 LYS H H 33 9.027 9.027 8.255 0.772 19998 568 1 3 . 1 1 34 34 TYR N N 34 120.102 120.102 122.670 -2.568 19998 569 1 3 . 1 1 34 34 TYR HA H 34 4.878 4.878 4.620 0.258 19998 570 1 3 . 1 1 34 34 TYR C C 34 174.034 174.034 176.873 -2.839 19998 571 1 3 . 1 1 34 34 TYR CA C 34 59.262 59.262 58.480 0.783 19998 572 1 3 . 1 1 34 34 TYR CB C 34 38.633 38.633 37.932 0.701 19998 573 1 3 . 1 1 34 34 TYR H H 34 8.092 8.092 8.705 -0.613 19998 574 1 3 . 1 1 35 35 GLU N N 35 124.362 124.362 126.290 -1.928 19998 575 1 3 . 1 1 35 35 GLU HA H 35 4.462 4.462 4.317 0.145 19998 576 1 3 . 1 1 35 35 GLU C C 35 172.127 172.127 175.475 -3.348 19998 577 1 3 . 1 1 35 35 GLU CA C 35 56.267 56.267 56.675 -0.408 19998 578 1 3 . 1 1 35 35 GLU CB C 35 30.852 30.852 29.805 1.047 19998 579 1 3 . 1 1 35 35 GLU H H 35 8.754 8.754 8.518 0.236 19998 580 1 4 . 1 1 2 2 ALA N N 2 123.910 123.910 123.186 0.724 19998 581 1 4 . 1 1 2 2 ALA HA H 2 4.464 4.464 4.693 -0.229 19998 582 1 4 . 1 1 2 2 ALA C C 2 174.673 174.673 175.996 -1.323 19998 583 1 4 . 1 1 2 2 ALA CA C 2 52.168 52.168 52.215 -0.048 19998 584 1 4 . 1 1 2 2 ALA CB C 2 19.690 19.690 18.668 1.022 19998 585 1 4 . 1 1 2 2 ALA H H 2 8.561 8.561 8.149 0.412 19998 586 1 4 . 1 1 3 3 CYS N N 3 117.207 117.207 118.695 -1.488 19998 587 1 4 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.659 0.306 19998 588 1 4 . 1 1 3 3 CYS C C 3 170.808 170.808 172.423 -1.615 19998 589 1 4 . 1 1 3 3 CYS CA C 3 54.754 54.754 57.571 -2.817 19998 590 1 4 . 1 1 3 3 CYS CB C 3 44.067 44.067 28.877 15.190 19998 591 1 4 . 1 1 3 3 CYS H H 3 8.335 8.335 8.206 0.129 19998 592 1 4 . 1 1 4 4 LEU N N 4 121.828 121.828 122.537 -0.709 19998 593 1 4 . 1 1 4 4 LEU HA H 4 4.345 4.345 4.613 -0.268 19998 594 1 4 . 1 1 4 4 LEU C C 4 172.234 172.234 177.287 -5.053 19998 595 1 4 . 1 1 4 4 LEU CA C 4 54.223 54.223 53.902 0.321 19998 596 1 4 . 1 1 4 4 LEU CB C 4 44.578 44.578 44.006 0.572 19998 597 1 4 . 1 1 4 4 LEU H H 4 8.815 8.815 8.355 0.460 19998 598 1 4 . 1 1 5 5 GLY N N 5 107.508 107.508 110.475 -2.967 19998 599 1 4 . 1 1 5 5 GLY C C 5 169.768 169.768 173.433 -3.665 19998 600 1 4 . 1 1 5 5 GLY CA C 5 43.052 43.052 44.065 -1.013 19998 601 1 4 . 1 1 5 5 GLY H H 5 7.999 7.999 8.311 -0.312 19998 602 1 4 . 1 1 6 6 PHE N N 6 116.953 116.953 120.421 -3.468 19998 603 1 4 . 1 1 6 6 PHE HA H 6 3.619 3.619 3.964 -0.345 19998 604 1 4 . 1 1 6 6 PHE C C 6 174.967 174.967 177.316 -2.349 19998 605 1 4 . 1 1 6 6 PHE CA C 6 60.101 60.101 58.625 1.476 19998 606 1 4 . 1 1 6 6 PHE CB C 6 39.506 39.506 39.048 0.458 19998 607 1 4 . 1 1 6 6 PHE H H 6 8.392 8.392 8.227 0.165 19998 608 1 4 . 1 1 7 7 GLY N N 7 115.074 115.074 114.561 0.513 19998 609 1 4 . 1 1 7 7 GLY C C 7 171.017 171.017 173.460 -2.443 19998 610 1 4 . 1 1 7 7 GLY CA C 7 44.844 44.844 44.696 0.148 19998 611 1 4 . 1 1 7 7 GLY H H 7 8.645 8.645 7.547 1.098 19998 612 1 4 . 1 1 8 8 LYS N N 8 120.051 120.051 120.727 -0.676 19998 613 1 4 . 1 1 8 8 LYS HA H 8 4.313 4.313 4.662 -0.349 19998 614 1 4 . 1 1 8 8 LYS C C 8 173.878 173.878 176.105 -2.227 19998 615 1 4 . 1 1 8 8 LYS CA C 8 54.570 54.570 54.084 0.486 19998 616 1 4 . 1 1 8 8 LYS CB C 8 32.391 32.391 34.237 -1.846 19998 617 1 4 . 1 1 8 8 LYS H H 8 7.429 7.429 7.383 0.046 19998 618 1 4 . 1 1 9 9 SER N N 9 117.004 117.004 117.252 -0.248 19998 619 1 4 . 1 1 9 9 SER HA H 9 4.315 4.315 4.706 -0.391 19998 620 1 4 . 1 1 9 9 SER C C 9 170.486 170.486 174.370 -3.884 19998 621 1 4 . 1 1 9 9 SER CB C 9 63.355 63.355 62.293 1.062 19998 622 1 4 . 1 1 9 9 SER H H 9 8.542 8.542 8.519 0.023 19998 623 1 4 . 1 1 10 10 CYS N N 10 119.238 119.238 121.131 -1.893 19998 624 1 4 . 1 1 10 10 CYS HA H 10 4.833 4.833 4.761 0.072 19998 625 1 4 . 1 1 10 10 CYS C C 10 168.106 168.106 173.729 -5.623 19998 626 1 4 . 1 1 10 10 CYS CA C 10 53.907 53.907 56.311 -2.404 19998 627 1 4 . 1 1 10 10 CYS CB C 10 45.841 45.841 30.468 15.373 19998 628 1 4 . 1 1 10 10 CYS H H 10 8.188 8.188 8.433 -0.245 19998 629 1 4 . 1 1 11 11 ASN N N 11 119.594 119.594 119.017 0.577 19998 630 1 4 . 1 1 11 11 ASN HA H 11 5.124 5.124 5.204 -0.080 19998 631 1 4 . 1 1 11 11 ASN CA C 11 48.476 48.476 49.526 -1.050 19998 632 1 4 . 1 1 11 11 ASN CB C 11 40.000 40.000 40.254 -0.254 19998 633 1 4 . 1 1 11 11 ASN H H 11 9.129 9.129 8.624 0.505 19998 634 1 4 . 1 1 12 12 PRO HA H 12 3.848 3.848 4.430 -0.582 19998 635 1 4 . 1 1 12 12 PRO C C 12 174.197 174.197 178.077 -3.880 19998 636 1 4 . 1 1 12 12 PRO CA C 12 64.689 64.689 64.654 0.035 19998 637 1 4 . 1 1 12 12 PRO CB C 12 31.883 31.883 32.139 -0.256 19998 638 1 4 . 1 1 13 13 SER N N 13 110.351 110.351 112.639 -2.288 19998 639 1 4 . 1 1 13 13 SER HA H 13 4.394 4.394 4.252 0.142 19998 640 1 4 . 1 1 13 13 SER C C 13 170.980 170.980 174.106 -3.126 19998 641 1 4 . 1 1 13 13 SER CA C 13 59.326 59.326 60.072 -0.746 19998 642 1 4 . 1 1 13 13 SER CB C 13 63.380 63.380 62.941 0.439 19998 643 1 4 . 1 1 13 13 SER H H 13 7.785 7.785 8.398 -0.613 19998 644 1 4 . 1 1 14 14 ASN N N 14 120.660 120.660 119.144 1.516 19998 645 1 4 . 1 1 14 14 ASN HA H 14 4.638 4.638 4.809 -0.171 19998 646 1 4 . 1 1 14 14 ASN C C 14 171.412 171.412 173.441 -2.029 19998 647 1 4 . 1 1 14 14 ASN CA C 14 52.806 52.806 52.343 0.463 19998 648 1 4 . 1 1 14 14 ASN CB C 14 37.810 37.810 39.462 -1.652 19998 649 1 4 . 1 1 14 14 ASN H H 14 7.613 7.613 7.698 -0.085 19998 650 1 4 . 1 1 15 15 ASP N N 15 124.062 124.062 122.144 1.918 19998 651 1 4 . 1 1 15 15 ASP HA H 15 4.110 4.110 4.505 -0.395 19998 652 1 4 . 1 1 15 15 ASP C C 15 174.918 174.918 175.228 -0.310 19998 653 1 4 . 1 1 15 15 ASP CA C 15 55.774 55.774 55.206 0.568 19998 654 1 4 . 1 1 15 15 ASP CB C 15 41.360 41.360 41.187 0.173 19998 655 1 4 . 1 1 15 15 ASP H H 15 8.695 8.695 8.203 0.492 19998 656 1 4 . 1 1 16 16 GLN N N 16 127.008 127.008 124.022 2.986 19998 657 1 4 . 1 1 16 16 GLN HA H 16 4.613 4.613 4.500 0.113 19998 658 1 4 . 1 1 16 16 GLN C C 16 173.874 173.874 174.324 -0.450 19998 659 1 4 . 1 1 16 16 GLN CA C 16 54.522 54.522 54.766 -0.244 19998 660 1 4 . 1 1 16 16 GLN CB C 16 28.327 28.327 29.414 -1.087 19998 661 1 4 . 1 1 16 16 GLN H H 16 8.041 8.041 8.499 -0.458 19998 662 1 4 . 1 1 17 17 CYS N N 17 122.234 122.234 118.632 3.602 19998 663 1 4 . 1 1 17 17 CYS HA H 17 4.983 4.983 4.807 0.176 19998 664 1 4 . 1 1 17 17 CYS C C 17 173.908 173.908 174.822 -0.914 19998 665 1 4 . 1 1 17 17 CYS CA C 17 56.486 56.486 57.747 -1.261 19998 666 1 4 . 1 1 17 17 CYS CB C 17 38.906 38.906 30.821 8.085 19998 667 1 4 . 1 1 17 17 CYS H H 17 9.314 9.314 8.024 1.290 19998 668 1 4 . 1 1 18 18 CYS N N 18 118.883 118.883 122.632 -3.749 19998 669 1 4 . 1 1 18 18 CYS HA H 18 4.608 4.608 4.536 0.072 19998 670 1 4 . 1 1 18 18 CYS C C 18 172.722 172.722 176.021 -3.299 19998 671 1 4 . 1 1 18 18 CYS CA C 18 55.521 55.521 59.063 -3.542 19998 672 1 4 . 1 1 18 18 CYS CB C 18 41.367 41.367 26.102 15.265 19998 673 1 4 . 1 1 18 18 CYS H H 18 9.192 9.192 8.579 0.613 19998 674 1 4 . 1 1 19 19 LYS N N 19 131.730 131.730 126.984 4.746 19998 675 1 4 . 1 1 19 19 LYS HA H 19 4.332 4.332 4.063 0.269 19998 676 1 4 . 1 1 19 19 LYS C C 19 177.997 177.997 178.785 -0.788 19998 677 1 4 . 1 1 19 19 LYS CA C 19 58.426 58.426 58.920 -0.494 19998 678 1 4 . 1 1 19 19 LYS CB C 19 31.319 31.319 32.102 -0.783 19998 679 1 4 . 1 1 19 19 LYS H H 19 8.890 8.890 8.507 0.383 19998 680 1 4 . 1 1 20 20 SER N N 20 115.887 115.887 113.857 2.030 19998 681 1 4 . 1 1 20 20 SER HA H 20 4.334 4.334 4.231 0.103 19998 682 1 4 . 1 1 20 20 SER C C 20 172.946 172.946 175.347 -2.401 19998 683 1 4 . 1 1 20 20 SER CA C 20 60.311 60.311 60.784 -0.473 19998 684 1 4 . 1 1 20 20 SER CB C 20 62.327 62.327 62.267 0.060 19998 685 1 4 . 1 1 20 20 SER H H 20 8.856 8.856 8.675 0.181 19998 686 1 4 . 1 1 21 21 SER N N 21 116.191 116.191 116.956 -0.765 19998 687 1 4 . 1 1 21 21 SER HA H 21 4.833 4.833 4.594 0.239 19998 688 1 4 . 1 1 21 21 SER C C 21 170.505 170.505 173.482 -2.977 19998 689 1 4 . 1 1 21 21 SER CA C 21 57.500 57.500 58.148 -0.648 19998 690 1 4 . 1 1 21 21 SER CB C 21 63.852 63.852 63.623 0.230 19998 691 1 4 . 1 1 21 21 SER H H 21 7.068 7.068 7.533 -0.465 19998 692 1 4 . 1 1 22 22 SER N N 22 111.723 111.723 115.884 -4.161 19998 693 1 4 . 1 1 22 22 SER HA H 22 4.099 4.099 4.086 0.013 19998 694 1 4 . 1 1 22 22 SER C C 22 170.369 170.369 172.893 -2.524 19998 695 1 4 . 1 1 22 22 SER CA C 22 59.140 59.140 59.577 -0.437 19998 696 1 4 . 1 1 22 22 SER CB C 22 61.339 61.339 61.752 -0.413 19998 697 1 4 . 1 1 22 22 SER H H 22 8.113 8.113 8.278 -0.165 19998 698 1 4 . 1 1 23 23 LEU N N 23 115.988 115.988 118.870 -2.882 19998 699 1 4 . 1 1 23 23 LEU HA H 23 4.898 4.898 4.927 -0.029 19998 700 1 4 . 1 1 23 23 LEU C C 23 173.712 173.712 175.613 -1.901 19998 701 1 4 . 1 1 23 23 LEU CA C 23 53.083 53.083 53.303 -0.220 19998 702 1 4 . 1 1 23 23 LEU CB C 23 46.062 46.062 45.961 0.101 19998 703 1 4 . 1 1 23 23 LEU H H 23 7.111 7.111 7.490 -0.379 19998 704 1 4 . 1 1 24 24 ALA N N 24 119.898 119.898 119.914 -0.016 19998 705 1 4 . 1 1 24 24 ALA HA H 24 4.466 4.466 4.725 -0.259 19998 706 1 4 . 1 1 24 24 ALA C C 24 173.491 173.491 174.717 -1.226 19998 707 1 4 . 1 1 24 24 ALA CA C 24 51.167 51.167 51.506 -0.339 19998 708 1 4 . 1 1 24 24 ALA CB C 24 23.237 23.237 21.841 1.396 19998 709 1 4 . 1 1 24 24 ALA H H 24 8.904 8.904 7.867 1.037 19998 710 1 4 . 1 1 25 25 CYS N N 25 122.945 122.945 121.159 1.786 19998 711 1 4 . 1 1 25 25 CYS HA H 25 4.452 4.452 4.999 -0.547 19998 712 1 4 . 1 1 25 25 CYS C C 25 171.574 171.574 174.903 -3.329 19998 713 1 4 . 1 1 25 25 CYS CA C 25 56.132 56.132 58.368 -2.236 19998 714 1 4 . 1 1 25 25 CYS CB C 25 39.179 39.179 26.458 12.721 19998 715 1 4 . 1 1 25 25 CYS H H 25 9.847 9.847 8.488 1.359 19998 716 1 4 . 1 1 26 26 SER N N 26 122.285 122.285 122.673 -0.388 19998 717 1 4 . 1 1 26 26 SER HA H 26 4.543 4.543 4.723 -0.180 19998 718 1 4 . 1 1 26 26 SER CA C 26 57.773 57.773 57.179 0.594 19998 719 1 4 . 1 1 26 26 SER CB C 26 63.789 63.789 66.082 -2.293 19998 720 1 4 . 1 1 26 26 SER H H 26 7.791 7.791 8.403 -0.612 19998 721 1 4 . 1 1 27 27 THR N N 27 122.390 122.390 120.985 1.405 19998 722 1 4 . 1 1 27 27 THR HA H 27 3.778 3.778 4.249 -0.471 19998 723 1 4 . 1 1 27 27 THR C C 27 172.781 172.781 175.389 -2.608 19998 724 1 4 . 1 1 27 27 THR CA C 27 65.390 65.390 64.409 0.981 19998 725 1 4 . 1 1 27 27 THR CB C 27 68.458 68.458 68.815 -0.357 19998 726 1 4 . 1 1 27 27 THR H H 27 8.874 8.874 8.724 0.150 19998 727 1 4 . 1 1 28 28 LYS N N 28 118.883 118.883 120.860 -1.977 19998 728 1 4 . 1 1 28 28 LYS HA H 28 4.031 4.031 4.193 -0.162 19998 729 1 4 . 1 1 28 28 LYS C C 28 174.613 174.613 176.810 -2.197 19998 730 1 4 . 1 1 28 28 LYS CA C 28 57.799 57.799 58.458 -0.659 19998 731 1 4 . 1 1 28 28 LYS CB C 28 33.164 33.164 32.431 0.733 19998 732 1 4 . 1 1 28 28 LYS H H 28 7.609 7.609 8.170 -0.561 19998 733 1 4 . 1 1 29 29 HIS N N 29 113.398 113.398 114.841 -1.443 19998 734 1 4 . 1 1 29 29 HIS HA H 29 4.284 4.284 4.641 -0.357 19998 735 1 4 . 1 1 29 29 HIS CA C 29 55.586 55.586 55.634 -0.048 19998 736 1 4 . 1 1 29 29 HIS CB C 29 29.062 29.062 30.843 -1.781 19998 737 1 4 . 1 1 29 29 HIS H H 29 7.450 7.450 8.050 -0.600 19998 738 1 4 . 1 1 30 30 LYS N N 30 116.344 116.344 119.098 -2.754 19998 739 1 4 . 1 1 30 30 LYS HA H 30 3.888 3.888 4.215 -0.327 19998 740 1 4 . 1 1 30 30 LYS CA C 30 57.500 57.500 57.352 0.148 19998 741 1 4 . 1 1 30 30 LYS CB C 30 29.609 29.609 30.642 -1.033 19998 742 1 4 . 1 1 30 30 LYS H H 30 8.261 8.261 8.434 -0.173 19998 743 1 4 . 1 1 31 31 TRP N N 31 117.766 117.766 114.919 2.847 19998 744 1 4 . 1 1 31 31 TRP HA H 31 5.477 5.477 5.010 0.467 19998 745 1 4 . 1 1 31 31 TRP C C 31 174.754 174.754 174.398 0.356 19998 746 1 4 . 1 1 31 31 TRP CA C 31 55.756 55.756 54.218 1.538 19998 747 1 4 . 1 1 31 31 TRP CB C 31 30.976 30.976 29.799 1.177 19998 748 1 4 . 1 1 31 31 TRP H H 31 8.483 8.483 7.757 0.726 19998 749 1 4 . 1 1 32 32 CYS N N 32 118.984 118.984 123.047 -4.063 19998 750 1 4 . 1 1 32 32 CYS HA H 32 4.747 4.747 4.317 0.430 19998 751 1 4 . 1 1 32 32 CYS C C 32 171.472 171.472 174.742 -3.270 19998 752 1 4 . 1 1 32 32 CYS CA C 32 54.733 54.733 59.225 -4.492 19998 753 1 4 . 1 1 32 32 CYS CB C 32 39.524 39.524 24.577 14.947 19998 754 1 4 . 1 1 32 32 CYS H H 32 8.474 8.474 8.417 0.057 19998 755 1 4 . 1 1 33 33 LYS N N 33 124.672 124.672 123.926 0.746 19998 756 1 4 . 1 1 33 33 LYS HA H 33 4.717 4.717 4.104 0.613 19998 757 1 4 . 1 1 33 33 LYS C C 33 172.236 172.236 175.458 -3.222 19998 758 1 4 . 1 1 33 33 LYS CA C 33 54.730 54.730 54.096 0.634 19998 759 1 4 . 1 1 33 33 LYS CB C 33 35.429 35.429 33.940 1.489 19998 760 1 4 . 1 1 33 33 LYS H H 33 9.027 9.027 8.303 0.724 19998 761 1 4 . 1 1 34 34 TYR N N 34 120.102 120.102 122.313 -2.211 19998 762 1 4 . 1 1 34 34 TYR HA H 34 4.878 4.878 4.591 0.287 19998 763 1 4 . 1 1 34 34 TYR C C 34 174.034 174.034 176.740 -2.706 19998 764 1 4 . 1 1 34 34 TYR CA C 34 59.262 59.262 58.687 0.575 19998 765 1 4 . 1 1 34 34 TYR CB C 34 38.633 38.633 37.977 0.656 19998 766 1 4 . 1 1 34 34 TYR H H 34 8.092 8.092 8.669 -0.577 19998 767 1 4 . 1 1 35 35 GLU N N 35 124.362 124.362 126.149 -1.787 19998 768 1 4 . 1 1 35 35 GLU HA H 35 4.462 4.462 4.449 0.013 19998 769 1 4 . 1 1 35 35 GLU C C 35 172.127 172.127 175.257 -3.130 19998 770 1 4 . 1 1 35 35 GLU CA C 35 56.267 56.267 56.122 0.145 19998 771 1 4 . 1 1 35 35 GLU CB C 35 30.852 30.852 30.068 0.784 19998 772 1 4 . 1 1 35 35 GLU H H 35 8.754 8.754 8.404 0.350 19998 773 1 5 . 1 1 2 2 ALA N N 2 123.910 123.910 126.493 -2.583 19998 774 1 5 . 1 1 2 2 ALA HA H 2 4.464 4.464 4.935 -0.471 19998 775 1 5 . 1 1 2 2 ALA C C 2 174.673 174.673 176.577 -1.904 19998 776 1 5 . 1 1 2 2 ALA CA C 2 52.168 52.168 52.220 -0.052 19998 777 1 5 . 1 1 2 2 ALA CB C 2 19.690 19.690 19.077 0.613 19998 778 1 5 . 1 1 2 2 ALA H H 2 8.561 8.561 8.308 0.253 19998 779 1 5 . 1 1 3 3 CYS N N 3 117.207 117.207 118.820 -1.613 19998 780 1 5 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.649 0.316 19998 781 1 5 . 1 1 3 3 CYS C C 3 170.808 170.808 172.621 -1.813 19998 782 1 5 . 1 1 3 3 CYS CA C 3 54.754 54.754 57.408 -2.654 19998 783 1 5 . 1 1 3 3 CYS CB C 3 44.067 44.067 29.182 14.885 19998 784 1 5 . 1 1 3 3 CYS H H 3 8.335 8.335 8.236 0.099 19998 785 1 5 . 1 1 4 4 LEU N N 4 121.828 121.828 122.839 -1.011 19998 786 1 5 . 1 1 4 4 LEU HA H 4 4.345 4.345 4.617 -0.272 19998 787 1 5 . 1 1 4 4 LEU C C 4 172.234 172.234 177.209 -4.975 19998 788 1 5 . 1 1 4 4 LEU CA C 4 54.223 54.223 54.041 0.182 19998 789 1 5 . 1 1 4 4 LEU CB C 4 44.578 44.578 43.794 0.784 19998 790 1 5 . 1 1 4 4 LEU H H 4 8.815 8.815 8.398 0.417 19998 791 1 5 . 1 1 5 5 GLY N N 5 107.508 107.508 110.363 -2.855 19998 792 1 5 . 1 1 5 5 GLY C C 5 169.768 169.768 173.416 -3.648 19998 793 1 5 . 1 1 5 5 GLY CA C 5 43.052 43.052 43.981 -0.929 19998 794 1 5 . 1 1 5 5 GLY H H 5 7.999 7.999 8.314 -0.315 19998 795 1 5 . 1 1 6 6 PHE N N 6 116.953 116.953 120.422 -3.469 19998 796 1 5 . 1 1 6 6 PHE HA H 6 3.619 3.619 3.962 -0.343 19998 797 1 5 . 1 1 6 6 PHE C C 6 174.967 174.967 177.349 -2.382 19998 798 1 5 . 1 1 6 6 PHE CA C 6 60.101 60.101 58.660 1.441 19998 799 1 5 . 1 1 6 6 PHE CB C 6 39.506 39.506 39.062 0.444 19998 800 1 5 . 1 1 6 6 PHE H H 6 8.392 8.392 8.237 0.155 19998 801 1 5 . 1 1 7 7 GLY N N 7 115.074 115.074 114.525 0.549 19998 802 1 5 . 1 1 7 7 GLY C C 7 171.017 171.017 173.476 -2.459 19998 803 1 5 . 1 1 7 7 GLY CA C 7 44.844 44.844 44.722 0.122 19998 804 1 5 . 1 1 7 7 GLY H H 7 8.645 8.645 7.549 1.096 19998 805 1 5 . 1 1 8 8 LYS N N 8 120.051 120.051 120.887 -0.836 19998 806 1 5 . 1 1 8 8 LYS HA H 8 4.313 4.313 4.643 -0.330 19998 807 1 5 . 1 1 8 8 LYS C C 8 173.878 173.878 175.913 -2.035 19998 808 1 5 . 1 1 8 8 LYS CA C 8 54.570 54.570 54.128 0.442 19998 809 1 5 . 1 1 8 8 LYS CB C 8 32.391 32.391 34.312 -1.921 19998 810 1 5 . 1 1 8 8 LYS H H 8 7.429 7.429 7.370 0.059 19998 811 1 5 . 1 1 9 9 SER N N 9 117.004 117.004 116.511 0.493 19998 812 1 5 . 1 1 9 9 SER HA H 9 4.315 4.315 4.678 -0.363 19998 813 1 5 . 1 1 9 9 SER C C 9 170.486 170.486 174.616 -4.130 19998 814 1 5 . 1 1 9 9 SER CB C 9 63.355 63.355 62.510 0.845 19998 815 1 5 . 1 1 9 9 SER H H 9 8.542 8.542 8.479 0.063 19998 816 1 5 . 1 1 10 10 CYS N N 10 119.238 119.238 121.220 -1.982 19998 817 1 5 . 1 1 10 10 CYS HA H 10 4.833 4.833 4.737 0.096 19998 818 1 5 . 1 1 10 10 CYS C C 10 168.106 168.106 173.766 -5.660 19998 819 1 5 . 1 1 10 10 CYS CA C 10 53.907 53.907 56.085 -2.178 19998 820 1 5 . 1 1 10 10 CYS CB C 10 45.841 45.841 30.250 15.591 19998 821 1 5 . 1 1 10 10 CYS H H 10 8.188 8.188 8.412 -0.224 19998 822 1 5 . 1 1 11 11 ASN N N 11 119.594 119.594 118.954 0.640 19998 823 1 5 . 1 1 11 11 ASN HA H 11 5.124 5.124 5.203 -0.079 19998 824 1 5 . 1 1 11 11 ASN CA C 11 48.476 48.476 49.531 -1.055 19998 825 1 5 . 1 1 11 11 ASN CB C 11 40.000 40.000 40.255 -0.255 19998 826 1 5 . 1 1 11 11 ASN H H 11 9.129 9.129 8.610 0.519 19998 827 1 5 . 1 1 12 12 PRO HA H 12 3.848 3.848 4.473 -0.625 19998 828 1 5 . 1 1 12 12 PRO C C 12 174.197 174.197 178.348 -4.151 19998 829 1 5 . 1 1 12 12 PRO CA C 12 64.689 64.689 65.033 -0.344 19998 830 1 5 . 1 1 12 12 PRO CB C 12 31.883 31.883 32.239 -0.356 19998 831 1 5 . 1 1 13 13 SER N N 13 110.351 110.351 112.591 -2.240 19998 832 1 5 . 1 1 13 13 SER HA H 13 4.394 4.394 4.250 0.144 19998 833 1 5 . 1 1 13 13 SER C C 13 170.980 170.980 174.197 -3.217 19998 834 1 5 . 1 1 13 13 SER CA C 13 59.326 59.326 59.947 -0.621 19998 835 1 5 . 1 1 13 13 SER CB C 13 63.380 63.380 63.141 0.240 19998 836 1 5 . 1 1 13 13 SER H H 13 7.785 7.785 8.416 -0.631 19998 837 1 5 . 1 1 14 14 ASN N N 14 120.660 120.660 117.889 2.771 19998 838 1 5 . 1 1 14 14 ASN HA H 14 4.638 4.638 4.855 -0.217 19998 839 1 5 . 1 1 14 14 ASN C C 14 171.412 171.412 173.495 -2.083 19998 840 1 5 . 1 1 14 14 ASN CA C 14 52.806 52.806 52.069 0.737 19998 841 1 5 . 1 1 14 14 ASN CB C 14 37.810 37.810 39.282 -1.472 19998 842 1 5 . 1 1 14 14 ASN H H 14 7.613 7.613 7.830 -0.217 19998 843 1 5 . 1 1 15 15 ASP N N 15 124.062 124.062 121.339 2.723 19998 844 1 5 . 1 1 15 15 ASP HA H 15 4.110 4.110 4.549 -0.439 19998 845 1 5 . 1 1 15 15 ASP C C 15 174.918 174.918 175.680 -0.762 19998 846 1 5 . 1 1 15 15 ASP CA C 15 55.774 55.774 54.772 1.002 19998 847 1 5 . 1 1 15 15 ASP CB C 15 41.360 41.360 40.522 0.838 19998 848 1 5 . 1 1 15 15 ASP H H 15 8.695 8.695 8.005 0.690 19998 849 1 5 . 1 1 16 16 GLN N N 16 127.008 127.008 123.417 3.591 19998 850 1 5 . 1 1 16 16 GLN HA H 16 4.613 4.613 4.508 0.105 19998 851 1 5 . 1 1 16 16 GLN C C 16 173.874 173.874 174.279 -0.405 19998 852 1 5 . 1 1 16 16 GLN CA C 16 54.522 54.522 55.133 -0.611 19998 853 1 5 . 1 1 16 16 GLN CB C 16 28.327 28.327 29.509 -1.182 19998 854 1 5 . 1 1 16 16 GLN H H 16 8.041 8.041 8.634 -0.593 19998 855 1 5 . 1 1 17 17 CYS N N 17 122.234 122.234 118.532 3.702 19998 856 1 5 . 1 1 17 17 CYS HA H 17 4.983 4.983 4.766 0.217 19998 857 1 5 . 1 1 17 17 CYS C C 17 173.908 173.908 174.854 -0.946 19998 858 1 5 . 1 1 17 17 CYS CA C 17 56.486 56.486 57.608 -1.122 19998 859 1 5 . 1 1 17 17 CYS CB C 17 38.906 38.906 30.530 8.376 19998 860 1 5 . 1 1 17 17 CYS H H 17 9.314 9.314 8.032 1.282 19998 861 1 5 . 1 1 18 18 CYS N N 18 118.883 118.883 122.626 -3.743 19998 862 1 5 . 1 1 18 18 CYS HA H 18 4.608 4.608 4.533 0.075 19998 863 1 5 . 1 1 18 18 CYS C C 18 172.722 172.722 176.022 -3.300 19998 864 1 5 . 1 1 18 18 CYS CA C 18 55.521 55.521 59.063 -3.542 19998 865 1 5 . 1 1 18 18 CYS CB C 18 41.367 41.367 26.140 15.227 19998 866 1 5 . 1 1 18 18 CYS H H 18 9.192 9.192 8.569 0.623 19998 867 1 5 . 1 1 19 19 LYS N N 19 131.730 131.730 126.843 4.887 19998 868 1 5 . 1 1 19 19 LYS HA H 19 4.332 4.332 4.089 0.243 19998 869 1 5 . 1 1 19 19 LYS C C 19 177.997 177.997 179.022 -1.025 19998 870 1 5 . 1 1 19 19 LYS CA C 19 58.426 58.426 58.797 -0.371 19998 871 1 5 . 1 1 19 19 LYS CB C 19 31.319 31.319 32.144 -0.825 19998 872 1 5 . 1 1 19 19 LYS H H 19 8.890 8.890 8.556 0.334 19998 873 1 5 . 1 1 20 20 SER N N 20 115.887 115.887 114.915 0.972 19998 874 1 5 . 1 1 20 20 SER HA H 20 4.334 4.334 4.278 0.056 19998 875 1 5 . 1 1 20 20 SER C C 20 172.946 172.946 175.757 -2.811 19998 876 1 5 . 1 1 20 20 SER CA C 20 60.311 60.311 60.882 -0.571 19998 877 1 5 . 1 1 20 20 SER CB C 20 62.327 62.327 62.886 -0.559 19998 878 1 5 . 1 1 20 20 SER H H 20 8.856 8.856 8.308 0.548 19998 879 1 5 . 1 1 21 21 SER N N 21 116.191 116.191 115.034 1.157 19998 880 1 5 . 1 1 21 21 SER HA H 21 4.833 4.833 4.572 0.261 19998 881 1 5 . 1 1 21 21 SER C C 21 170.505 170.505 173.408 -2.903 19998 882 1 5 . 1 1 21 21 SER CA C 21 57.500 57.500 57.550 -0.050 19998 883 1 5 . 1 1 21 21 SER CB C 21 63.852 63.852 63.489 0.363 19998 884 1 5 . 1 1 21 21 SER H H 21 7.068 7.068 7.568 -0.500 19998 885 1 5 . 1 1 22 22 SER N N 22 111.723 111.723 116.865 -5.142 19998 886 1 5 . 1 1 22 22 SER HA H 22 4.099 4.099 4.135 -0.036 19998 887 1 5 . 1 1 22 22 SER C C 22 170.369 170.369 172.890 -2.521 19998 888 1 5 . 1 1 22 22 SER CA C 22 59.140 59.140 59.548 -0.409 19998 889 1 5 . 1 1 22 22 SER CB C 22 61.339 61.339 61.688 -0.349 19998 890 1 5 . 1 1 22 22 SER H H 22 8.113 8.113 8.223 -0.110 19998 891 1 5 . 1 1 23 23 LEU N N 23 115.988 115.988 120.232 -4.244 19998 892 1 5 . 1 1 23 23 LEU HA H 23 4.898 4.898 4.928 -0.030 19998 893 1 5 . 1 1 23 23 LEU C C 23 173.712 173.712 175.098 -1.386 19998 894 1 5 . 1 1 23 23 LEU CA C 23 53.083 53.083 53.466 -0.383 19998 895 1 5 . 1 1 23 23 LEU CB C 23 46.062 46.062 45.516 0.547 19998 896 1 5 . 1 1 23 23 LEU H H 23 7.111 7.111 7.650 -0.539 19998 897 1 5 . 1 1 24 24 ALA N N 24 119.898 119.898 120.512 -0.614 19998 898 1 5 . 1 1 24 24 ALA HA H 24 4.466 4.466 4.662 -0.196 19998 899 1 5 . 1 1 24 24 ALA C C 24 173.491 173.491 174.774 -1.283 19998 900 1 5 . 1 1 24 24 ALA CA C 24 51.167 51.167 51.755 -0.588 19998 901 1 5 . 1 1 24 24 ALA CB C 24 23.237 23.237 21.791 1.446 19998 902 1 5 . 1 1 24 24 ALA H H 24 8.904 8.904 7.747 1.157 19998 903 1 5 . 1 1 25 25 CYS N N 25 122.945 122.945 121.215 1.730 19998 904 1 5 . 1 1 25 25 CYS HA H 25 4.452 4.452 5.072 -0.620 19998 905 1 5 . 1 1 25 25 CYS C C 25 171.574 171.574 174.989 -3.415 19998 906 1 5 . 1 1 25 25 CYS CA C 25 56.132 56.132 58.082 -1.950 19998 907 1 5 . 1 1 25 25 CYS CB C 25 39.179 39.179 26.656 12.523 19998 908 1 5 . 1 1 25 25 CYS H H 25 9.847 9.847 8.640 1.207 19998 909 1 5 . 1 1 26 26 SER N N 26 122.285 122.285 122.405 -0.120 19998 910 1 5 . 1 1 26 26 SER HA H 26 4.543 4.543 4.715 -0.172 19998 911 1 5 . 1 1 26 26 SER CA C 26 57.773 57.773 57.112 0.661 19998 912 1 5 . 1 1 26 26 SER CB C 26 63.789 63.789 65.825 -2.035 19998 913 1 5 . 1 1 26 26 SER H H 26 7.791 7.791 8.388 -0.597 19998 914 1 5 . 1 1 27 27 THR N N 27 122.390 122.390 121.151 1.239 19998 915 1 5 . 1 1 27 27 THR HA H 27 3.778 3.778 4.213 -0.435 19998 916 1 5 . 1 1 27 27 THR C C 27 172.781 172.781 175.125 -2.344 19998 917 1 5 . 1 1 27 27 THR CA C 27 65.390 65.390 64.609 0.781 19998 918 1 5 . 1 1 27 27 THR CB C 27 68.458 68.458 68.822 -0.364 19998 919 1 5 . 1 1 27 27 THR H H 27 8.874 8.874 8.709 0.165 19998 920 1 5 . 1 1 28 28 LYS N N 28 118.883 118.883 120.998 -2.115 19998 921 1 5 . 1 1 28 28 LYS HA H 28 4.031 4.031 4.120 -0.089 19998 922 1 5 . 1 1 28 28 LYS C C 28 174.613 174.613 176.855 -2.242 19998 923 1 5 . 1 1 28 28 LYS CA C 28 57.799 57.799 58.630 -0.831 19998 924 1 5 . 1 1 28 28 LYS CB C 28 33.164 33.164 32.497 0.667 19998 925 1 5 . 1 1 28 28 LYS H H 28 7.609 7.609 8.058 -0.449 19998 926 1 5 . 1 1 29 29 HIS N N 29 113.398 113.398 114.739 -1.341 19998 927 1 5 . 1 1 29 29 HIS HA H 29 4.284 4.284 4.609 -0.325 19998 928 1 5 . 1 1 29 29 HIS CA C 29 55.586 55.586 55.420 0.166 19998 929 1 5 . 1 1 29 29 HIS CB C 29 29.062 29.062 30.563 -1.501 19998 930 1 5 . 1 1 29 29 HIS H H 29 7.450 7.450 7.995 -0.545 19998 931 1 5 . 1 1 30 30 LYS N N 30 116.344 116.344 119.051 -2.707 19998 932 1 5 . 1 1 30 30 LYS HA H 30 3.888 3.888 4.216 -0.328 19998 933 1 5 . 1 1 30 30 LYS CA C 30 57.500 57.500 57.342 0.158 19998 934 1 5 . 1 1 30 30 LYS CB C 30 29.609 29.609 30.642 -1.033 19998 935 1 5 . 1 1 30 30 LYS H H 30 8.261 8.261 8.430 -0.169 19998 936 1 5 . 1 1 31 31 TRP N N 31 117.766 117.766 114.884 2.882 19998 937 1 5 . 1 1 31 31 TRP HA H 31 5.477 5.477 5.029 0.448 19998 938 1 5 . 1 1 31 31 TRP C C 31 174.754 174.754 174.440 0.314 19998 939 1 5 . 1 1 31 31 TRP CA C 31 55.756 55.756 54.180 1.576 19998 940 1 5 . 1 1 31 31 TRP CB C 31 30.976 30.976 29.817 1.159 19998 941 1 5 . 1 1 31 31 TRP H H 31 8.483 8.483 7.753 0.730 19998 942 1 5 . 1 1 32 32 CYS N N 32 118.984 118.984 123.006 -4.022 19998 943 1 5 . 1 1 32 32 CYS HA H 32 4.747 4.747 4.304 0.443 19998 944 1 5 . 1 1 32 32 CYS C C 32 171.472 171.472 174.751 -3.279 19998 945 1 5 . 1 1 32 32 CYS CA C 32 54.733 54.733 59.179 -4.446 19998 946 1 5 . 1 1 32 32 CYS CB C 32 39.524 39.524 24.533 14.991 19998 947 1 5 . 1 1 32 32 CYS H H 32 8.474 8.474 8.421 0.053 19998 948 1 5 . 1 1 33 33 LYS N N 33 124.672 124.672 123.814 0.858 19998 949 1 5 . 1 1 33 33 LYS HA H 33 4.717 4.717 4.086 0.631 19998 950 1 5 . 1 1 33 33 LYS C C 33 172.236 172.236 175.475 -3.239 19998 951 1 5 . 1 1 33 33 LYS CA C 33 54.730 54.730 54.132 0.598 19998 952 1 5 . 1 1 33 33 LYS CB C 33 35.429 35.429 33.845 1.584 19998 953 1 5 . 1 1 33 33 LYS H H 33 9.027 9.027 8.423 0.604 19998 954 1 5 . 1 1 34 34 TYR N N 34 120.102 120.102 123.190 -3.088 19998 955 1 5 . 1 1 34 34 TYR HA H 34 4.878 4.878 4.589 0.289 19998 956 1 5 . 1 1 34 34 TYR C C 34 174.034 174.034 176.836 -2.802 19998 957 1 5 . 1 1 34 34 TYR CA C 34 59.262 59.262 58.846 0.416 19998 958 1 5 . 1 1 34 34 TYR CB C 34 38.633 38.633 37.980 0.653 19998 959 1 5 . 1 1 34 34 TYR H H 34 8.092 8.092 8.761 -0.669 19998 960 1 5 . 1 1 35 35 GLU N N 35 124.362 124.362 125.334 -0.972 19998 961 1 5 . 1 1 35 35 GLU HA H 35 4.462 4.462 4.437 0.025 19998 962 1 5 . 1 1 35 35 GLU C C 35 172.127 172.127 175.794 -3.667 19998 963 1 5 . 1 1 35 35 GLU CA C 35 56.267 56.267 56.045 0.222 19998 964 1 5 . 1 1 35 35 GLU CB C 35 30.852 30.852 29.903 0.949 19998 965 1 5 . 1 1 35 35 GLU H H 35 8.754 8.754 8.680 0.074 19998 966 1 6 . 1 1 2 2 ALA N N 2 123.910 123.910 123.010 0.900 19998 967 1 6 . 1 1 2 2 ALA HA H 2 4.464 4.464 4.698 -0.234 19998 968 1 6 . 1 1 2 2 ALA C C 2 174.673 174.673 176.079 -1.406 19998 969 1 6 . 1 1 2 2 ALA CA C 2 52.168 52.168 52.208 -0.040 19998 970 1 6 . 1 1 2 2 ALA CB C 2 19.690 19.690 18.628 1.062 19998 971 1 6 . 1 1 2 2 ALA H H 2 8.561 8.561 8.231 0.330 19998 972 1 6 . 1 1 3 3 CYS N N 3 117.207 117.207 118.692 -1.485 19998 973 1 6 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.654 0.311 19998 974 1 6 . 1 1 3 3 CYS C C 3 170.808 170.808 172.509 -1.701 19998 975 1 6 . 1 1 3 3 CYS CA C 3 54.754 54.754 57.307 -2.553 19998 976 1 6 . 1 1 3 3 CYS CB C 3 44.067 44.067 28.862 15.205 19998 977 1 6 . 1 1 3 3 CYS H H 3 8.335 8.335 8.205 0.130 19998 978 1 6 . 1 1 4 4 LEU N N 4 121.828 121.828 122.743 -0.915 19998 979 1 6 . 1 1 4 4 LEU HA H 4 4.345 4.345 4.610 -0.265 19998 980 1 6 . 1 1 4 4 LEU C C 4 172.234 172.234 177.231 -4.997 19998 981 1 6 . 1 1 4 4 LEU CA C 4 54.223 54.223 54.046 0.177 19998 982 1 6 . 1 1 4 4 LEU CB C 4 44.578 44.578 43.944 0.633 19998 983 1 6 . 1 1 4 4 LEU H H 4 8.815 8.815 8.366 0.449 19998 984 1 6 . 1 1 5 5 GLY N N 5 107.508 107.508 110.429 -2.921 19998 985 1 6 . 1 1 5 5 GLY C C 5 169.768 169.768 173.434 -3.666 19998 986 1 6 . 1 1 5 5 GLY CA C 5 43.052 43.052 44.033 -0.981 19998 987 1 6 . 1 1 5 5 GLY H H 5 7.999 7.999 8.321 -0.322 19998 988 1 6 . 1 1 6 6 PHE N N 6 116.953 116.953 120.445 -3.492 19998 989 1 6 . 1 1 6 6 PHE HA H 6 3.619 3.619 3.969 -0.350 19998 990 1 6 . 1 1 6 6 PHE C C 6 174.967 174.967 177.335 -2.368 19998 991 1 6 . 1 1 6 6 PHE CA C 6 60.101 60.101 58.611 1.490 19998 992 1 6 . 1 1 6 6 PHE CB C 6 39.506 39.506 39.028 0.478 19998 993 1 6 . 1 1 6 6 PHE H H 6 8.392 8.392 8.247 0.145 19998 994 1 6 . 1 1 7 7 GLY N N 7 115.074 115.074 114.590 0.484 19998 995 1 6 . 1 1 7 7 GLY C C 7 171.017 171.017 173.459 -2.442 19998 996 1 6 . 1 1 7 7 GLY CA C 7 44.844 44.844 44.691 0.153 19998 997 1 6 . 1 1 7 7 GLY H H 7 8.645 8.645 7.554 1.091 19998 998 1 6 . 1 1 8 8 LYS N N 8 120.051 120.051 120.843 -0.792 19998 999 1 6 . 1 1 8 8 LYS HA H 8 4.313 4.313 4.656 -0.343 19998 1000 1 6 . 1 1 8 8 LYS C C 8 173.878 173.878 176.132 -2.254 19998 1001 1 6 . 1 1 8 8 LYS CA C 8 54.570 54.570 54.072 0.498 19998 1002 1 6 . 1 1 8 8 LYS CB C 8 32.391 32.391 34.128 -1.737 19998 1003 1 6 . 1 1 8 8 LYS H H 8 7.429 7.429 7.381 0.048 19998 1004 1 6 . 1 1 9 9 SER N N 9 117.004 117.004 117.683 -0.679 19998 1005 1 6 . 1 1 9 9 SER HA H 9 4.315 4.315 4.652 -0.337 19998 1006 1 6 . 1 1 9 9 SER C C 9 170.486 170.486 174.415 -3.929 19998 1007 1 6 . 1 1 9 9 SER CB C 9 63.355 63.355 62.139 1.216 19998 1008 1 6 . 1 1 9 9 SER H H 9 8.542 8.542 8.528 0.014 19998 1009 1 6 . 1 1 10 10 CYS N N 10 119.238 119.238 121.099 -1.861 19998 1010 1 6 . 1 1 10 10 CYS HA H 10 4.833 4.833 4.764 0.069 19998 1011 1 6 . 1 1 10 10 CYS C C 10 168.106 168.106 173.718 -5.612 19998 1012 1 6 . 1 1 10 10 CYS CA C 10 53.907 53.907 56.294 -2.387 19998 1013 1 6 . 1 1 10 10 CYS CB C 10 45.841 45.841 30.535 15.306 19998 1014 1 6 . 1 1 10 10 CYS H H 10 8.188 8.188 8.393 -0.205 19998 1015 1 6 . 1 1 11 11 ASN N N 11 119.594 119.594 118.974 0.620 19998 1016 1 6 . 1 1 11 11 ASN HA H 11 5.124 5.124 5.202 -0.078 19998 1017 1 6 . 1 1 11 11 ASN CA C 11 48.476 48.476 49.536 -1.060 19998 1018 1 6 . 1 1 11 11 ASN CB C 11 40.000 40.000 40.258 -0.258 19998 1019 1 6 . 1 1 11 11 ASN H H 11 9.129 9.129 8.616 0.513 19998 1020 1 6 . 1 1 12 12 PRO HA H 12 3.848 3.848 4.435 -0.587 19998 1021 1 6 . 1 1 12 12 PRO C C 12 174.197 174.197 178.051 -3.854 19998 1022 1 6 . 1 1 12 12 PRO CA C 12 64.689 64.689 64.719 -0.029 19998 1023 1 6 . 1 1 12 12 PRO CB C 12 31.883 31.883 32.119 -0.236 19998 1024 1 6 . 1 1 13 13 SER N N 13 110.351 110.351 112.634 -2.283 19998 1025 1 6 . 1 1 13 13 SER HA H 13 4.394 4.394 4.258 0.136 19998 1026 1 6 . 1 1 13 13 SER C C 13 170.980 170.980 174.233 -3.253 19998 1027 1 6 . 1 1 13 13 SER CA C 13 59.326 59.326 60.295 -0.969 19998 1028 1 6 . 1 1 13 13 SER CB C 13 63.380 63.380 62.928 0.452 19998 1029 1 6 . 1 1 13 13 SER H H 13 7.785 7.785 8.453 -0.668 19998 1030 1 6 . 1 1 14 14 ASN N N 14 120.660 120.660 118.528 2.132 19998 1031 1 6 . 1 1 14 14 ASN HA H 14 4.638 4.638 4.874 -0.236 19998 1032 1 6 . 1 1 14 14 ASN C C 14 171.412 171.412 173.410 -1.998 19998 1033 1 6 . 1 1 14 14 ASN CA C 14 52.806 52.806 51.761 1.045 19998 1034 1 6 . 1 1 14 14 ASN CB C 14 37.810 37.810 39.282 -1.472 19998 1035 1 6 . 1 1 14 14 ASN H H 14 7.613 7.613 7.770 -0.157 19998 1036 1 6 . 1 1 15 15 ASP N N 15 124.062 124.062 121.343 2.719 19998 1037 1 6 . 1 1 15 15 ASP HA H 15 4.110 4.110 4.534 -0.424 19998 1038 1 6 . 1 1 15 15 ASP C C 15 174.918 174.918 175.725 -0.807 19998 1039 1 6 . 1 1 15 15 ASP CA C 15 55.774 55.774 54.877 0.897 19998 1040 1 6 . 1 1 15 15 ASP CB C 15 41.360 41.360 40.613 0.747 19998 1041 1 6 . 1 1 15 15 ASP H H 15 8.695 8.695 8.047 0.648 19998 1042 1 6 . 1 1 16 16 GLN N N 16 127.008 127.008 123.311 3.697 19998 1043 1 6 . 1 1 16 16 GLN HA H 16 4.613 4.613 4.543 0.070 19998 1044 1 6 . 1 1 16 16 GLN C C 16 173.874 173.874 174.381 -0.507 19998 1045 1 6 . 1 1 16 16 GLN CA C 16 54.522 54.522 55.151 -0.629 19998 1046 1 6 . 1 1 16 16 GLN CB C 16 28.327 28.327 29.628 -1.301 19998 1047 1 6 . 1 1 16 16 GLN H H 16 8.041 8.041 8.594 -0.553 19998 1048 1 6 . 1 1 17 17 CYS N N 17 122.234 122.234 118.999 3.235 19998 1049 1 6 . 1 1 17 17 CYS HA H 17 4.983 4.983 4.815 0.168 19998 1050 1 6 . 1 1 17 17 CYS C C 17 173.908 173.908 174.801 -0.893 19998 1051 1 6 . 1 1 17 17 CYS CA C 17 56.486 56.486 57.704 -1.218 19998 1052 1 6 . 1 1 17 17 CYS CB C 17 38.906 38.906 30.552 8.354 19998 1053 1 6 . 1 1 17 17 CYS H H 17 9.314 9.314 8.186 1.128 19998 1054 1 6 . 1 1 18 18 CYS N N 18 118.883 118.883 122.636 -3.753 19998 1055 1 6 . 1 1 18 18 CYS HA H 18 4.608 4.608 4.529 0.079 19998 1056 1 6 . 1 1 18 18 CYS C C 18 172.722 172.722 176.003 -3.281 19998 1057 1 6 . 1 1 18 18 CYS CA C 18 55.521 55.521 59.113 -3.592 19998 1058 1 6 . 1 1 18 18 CYS CB C 18 41.367 41.367 26.090 15.277 19998 1059 1 6 . 1 1 18 18 CYS H H 18 9.192 9.192 8.577 0.615 19998 1060 1 6 . 1 1 19 19 LYS N N 19 131.730 131.730 126.566 5.164 19998 1061 1 6 . 1 1 19 19 LYS HA H 19 4.332 4.332 4.090 0.242 19998 1062 1 6 . 1 1 19 19 LYS C C 19 177.997 177.997 178.822 -0.825 19998 1063 1 6 . 1 1 19 19 LYS CA C 19 58.426 58.426 59.078 -0.652 19998 1064 1 6 . 1 1 19 19 LYS CB C 19 31.319 31.319 32.263 -0.944 19998 1065 1 6 . 1 1 19 19 LYS H H 19 8.890 8.890 8.421 0.469 19998 1066 1 6 . 1 1 20 20 SER N N 20 115.887 115.887 114.519 1.368 19998 1067 1 6 . 1 1 20 20 SER HA H 20 4.334 4.334 4.299 0.035 19998 1068 1 6 . 1 1 20 20 SER C C 20 172.946 172.946 175.351 -2.405 19998 1069 1 6 . 1 1 20 20 SER CA C 20 60.311 60.311 60.533 -0.222 19998 1070 1 6 . 1 1 20 20 SER CB C 20 62.327 62.327 62.474 -0.147 19998 1071 1 6 . 1 1 20 20 SER H H 20 8.856 8.856 8.683 0.173 19998 1072 1 6 . 1 1 21 21 SER N N 21 116.191 116.191 116.162 0.029 19998 1073 1 6 . 1 1 21 21 SER HA H 21 4.833 4.833 4.575 0.258 19998 1074 1 6 . 1 1 21 21 SER C C 21 170.505 170.505 173.283 -2.778 19998 1075 1 6 . 1 1 21 21 SER CA C 21 57.500 57.500 58.075 -0.575 19998 1076 1 6 . 1 1 21 21 SER CB C 21 63.852 63.852 63.444 0.408 19998 1077 1 6 . 1 1 21 21 SER H H 21 7.068 7.068 7.441 -0.373 19998 1078 1 6 . 1 1 22 22 SER N N 22 111.723 111.723 116.156 -4.433 19998 1079 1 6 . 1 1 22 22 SER HA H 22 4.099 4.099 4.104 -0.005 19998 1080 1 6 . 1 1 22 22 SER C C 22 170.369 170.369 172.914 -2.545 19998 1081 1 6 . 1 1 22 22 SER CA C 22 59.140 59.140 59.445 -0.305 19998 1082 1 6 . 1 1 22 22 SER CB C 22 61.339 61.339 61.667 -0.328 19998 1083 1 6 . 1 1 22 22 SER H H 22 8.113 8.113 8.204 -0.091 19998 1084 1 6 . 1 1 23 23 LEU N N 23 115.988 115.988 119.308 -3.320 19998 1085 1 6 . 1 1 23 23 LEU HA H 23 4.898 4.898 4.932 -0.034 19998 1086 1 6 . 1 1 23 23 LEU C C 23 173.712 173.712 175.104 -1.392 19998 1087 1 6 . 1 1 23 23 LEU CA C 23 53.083 53.083 53.263 -0.180 19998 1088 1 6 . 1 1 23 23 LEU CB C 23 46.062 46.062 46.019 0.043 19998 1089 1 6 . 1 1 23 23 LEU H H 23 7.111 7.111 7.575 -0.464 19998 1090 1 6 . 1 1 24 24 ALA N N 24 119.898 119.898 120.394 -0.496 19998 1091 1 6 . 1 1 24 24 ALA HA H 24 4.466 4.466 4.635 -0.169 19998 1092 1 6 . 1 1 24 24 ALA C C 24 173.491 173.491 174.618 -1.127 19998 1093 1 6 . 1 1 24 24 ALA CA C 24 51.167 51.167 51.654 -0.487 19998 1094 1 6 . 1 1 24 24 ALA CB C 24 23.237 23.237 21.717 1.520 19998 1095 1 6 . 1 1 24 24 ALA H H 24 8.904 8.904 7.705 1.199 19998 1096 1 6 . 1 1 25 25 CYS N N 25 122.945 122.945 121.189 1.756 19998 1097 1 6 . 1 1 25 25 CYS HA H 25 4.452 4.452 5.072 -0.620 19998 1098 1 6 . 1 1 25 25 CYS C C 25 171.574 171.574 175.000 -3.426 19998 1099 1 6 . 1 1 25 25 CYS CA C 25 56.132 56.132 58.065 -1.933 19998 1100 1 6 . 1 1 25 25 CYS CB C 25 39.179 39.179 26.666 12.512 19998 1101 1 6 . 1 1 25 25 CYS H H 25 9.847 9.847 8.638 1.209 19998 1102 1 6 . 1 1 26 26 SER N N 26 122.285 122.285 122.944 -0.659 19998 1103 1 6 . 1 1 26 26 SER HA H 26 4.543 4.543 4.698 -0.155 19998 1104 1 6 . 1 1 26 26 SER CA C 26 57.773 57.773 57.231 0.541 19998 1105 1 6 . 1 1 26 26 SER CB C 26 63.789 63.789 65.861 -2.072 19998 1106 1 6 . 1 1 26 26 SER H H 26 7.791 7.791 8.399 -0.608 19998 1107 1 6 . 1 1 27 27 THR N N 27 122.390 122.390 121.030 1.360 19998 1108 1 6 . 1 1 27 27 THR HA H 27 3.778 3.778 4.272 -0.494 19998 1109 1 6 . 1 1 27 27 THR C C 27 172.781 172.781 175.267 -2.486 19998 1110 1 6 . 1 1 27 27 THR CA C 27 65.390 65.390 64.111 1.279 19998 1111 1 6 . 1 1 27 27 THR CB C 27 68.458 68.458 68.759 -0.301 19998 1112 1 6 . 1 1 27 27 THR H H 27 8.874 8.874 8.710 0.164 19998 1113 1 6 . 1 1 28 28 LYS N N 28 118.883 118.883 120.367 -1.484 19998 1114 1 6 . 1 1 28 28 LYS HA H 28 4.031 4.031 4.259 -0.228 19998 1115 1 6 . 1 1 28 28 LYS C C 28 174.613 174.613 176.954 -2.341 19998 1116 1 6 . 1 1 28 28 LYS CA C 28 57.799 57.799 58.596 -0.797 19998 1117 1 6 . 1 1 28 28 LYS CB C 28 33.164 33.164 32.540 0.624 19998 1118 1 6 . 1 1 28 28 LYS H H 28 7.609 7.609 8.151 -0.542 19998 1119 1 6 . 1 1 29 29 HIS N N 29 113.398 113.398 115.052 -1.654 19998 1120 1 6 . 1 1 29 29 HIS HA H 29 4.284 4.284 4.623 -0.339 19998 1121 1 6 . 1 1 29 29 HIS CA C 29 55.586 55.586 55.527 0.059 19998 1122 1 6 . 1 1 29 29 HIS CB C 29 29.062 29.062 30.724 -1.662 19998 1123 1 6 . 1 1 29 29 HIS H H 29 7.450 7.450 8.065 -0.615 19998 1124 1 6 . 1 1 30 30 LYS N N 30 116.344 116.344 119.010 -2.666 19998 1125 1 6 . 1 1 30 30 LYS HA H 30 3.888 3.888 4.218 -0.330 19998 1126 1 6 . 1 1 30 30 LYS CA C 30 57.500 57.500 57.333 0.167 19998 1127 1 6 . 1 1 30 30 LYS CB C 30 29.609 29.609 30.666 -1.057 19998 1128 1 6 . 1 1 30 30 LYS H H 30 8.261 8.261 8.423 -0.162 19998 1129 1 6 . 1 1 31 31 TRP N N 31 117.766 117.766 114.874 2.892 19998 1130 1 6 . 1 1 31 31 TRP HA H 31 5.477 5.477 5.028 0.449 19998 1131 1 6 . 1 1 31 31 TRP C C 31 174.754 174.754 174.423 0.331 19998 1132 1 6 . 1 1 31 31 TRP CA C 31 55.756 55.756 54.203 1.553 19998 1133 1 6 . 1 1 31 31 TRP CB C 31 30.976 30.976 29.804 1.172 19998 1134 1 6 . 1 1 31 31 TRP H H 31 8.483 8.483 7.730 0.753 19998 1135 1 6 . 1 1 32 32 CYS N N 32 118.984 118.984 123.004 -4.020 19998 1136 1 6 . 1 1 32 32 CYS HA H 32 4.747 4.747 4.322 0.425 19998 1137 1 6 . 1 1 32 32 CYS C C 32 171.472 171.472 174.756 -3.284 19998 1138 1 6 . 1 1 32 32 CYS CA C 32 54.733 54.733 59.157 -4.424 19998 1139 1 6 . 1 1 32 32 CYS CB C 32 39.524 39.524 24.547 14.977 19998 1140 1 6 . 1 1 32 32 CYS H H 32 8.474 8.474 8.418 0.056 19998 1141 1 6 . 1 1 33 33 LYS N N 33 124.672 124.672 123.821 0.851 19998 1142 1 6 . 1 1 33 33 LYS HA H 33 4.717 4.717 4.081 0.636 19998 1143 1 6 . 1 1 33 33 LYS C C 33 172.236 172.236 175.459 -3.223 19998 1144 1 6 . 1 1 33 33 LYS CA C 33 54.730 54.730 54.186 0.544 19998 1145 1 6 . 1 1 33 33 LYS CB C 33 35.429 35.429 33.852 1.577 19998 1146 1 6 . 1 1 33 33 LYS H H 33 9.027 9.027 8.347 0.680 19998 1147 1 6 . 1 1 34 34 TYR N N 34 120.102 120.102 122.143 -2.041 19998 1148 1 6 . 1 1 34 34 TYR HA H 34 4.878 4.878 4.639 0.239 19998 1149 1 6 . 1 1 34 34 TYR C C 34 174.034 174.034 176.788 -2.754 19998 1150 1 6 . 1 1 34 34 TYR CA C 34 59.262 59.262 58.854 0.408 19998 1151 1 6 . 1 1 34 34 TYR CB C 34 38.633 38.633 38.188 0.445 19998 1152 1 6 . 1 1 34 34 TYR H H 34 8.092 8.092 8.654 -0.562 19998 1153 1 6 . 1 1 35 35 GLU N N 35 124.362 124.362 125.494 -1.132 19998 1154 1 6 . 1 1 35 35 GLU HA H 35 4.462 4.462 4.645 -0.183 19998 1155 1 6 . 1 1 35 35 GLU C C 35 172.127 172.127 174.883 -2.756 19998 1156 1 6 . 1 1 35 35 GLU CA C 35 56.267 56.267 55.797 0.469 19998 1157 1 6 . 1 1 35 35 GLU CB C 35 30.852 30.852 30.161 0.691 19998 1158 1 6 . 1 1 35 35 GLU H H 35 8.754 8.754 8.474 0.280 19998 1159 1 7 . 1 1 2 2 ALA N N 2 123.910 123.910 123.151 0.759 19998 1160 1 7 . 1 1 2 2 ALA HA H 2 4.464 4.464 4.761 -0.297 19998 1161 1 7 . 1 1 2 2 ALA C C 2 174.673 174.673 176.327 -1.654 19998 1162 1 7 . 1 1 2 2 ALA CA C 2 52.168 52.168 52.210 -0.042 19998 1163 1 7 . 1 1 2 2 ALA CB C 2 19.690 19.690 18.970 0.720 19998 1164 1 7 . 1 1 2 2 ALA H H 2 8.561 8.561 8.436 0.125 19998 1165 1 7 . 1 1 3 3 CYS N N 3 117.207 117.207 118.826 -1.619 19998 1166 1 7 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.653 0.312 19998 1167 1 7 . 1 1 3 3 CYS C C 3 170.808 170.808 172.641 -1.833 19998 1168 1 7 . 1 1 3 3 CYS CA C 3 54.754 54.754 57.281 -2.527 19998 1169 1 7 . 1 1 3 3 CYS CB C 3 44.067 44.067 29.223 14.844 19998 1170 1 7 . 1 1 3 3 CYS H H 3 8.335 8.335 8.137 0.198 19998 1171 1 7 . 1 1 4 4 LEU N N 4 121.828 121.828 122.685 -0.857 19998 1172 1 7 . 1 1 4 4 LEU HA H 4 4.345 4.345 4.624 -0.279 19998 1173 1 7 . 1 1 4 4 LEU C C 4 172.234 172.234 177.100 -4.866 19998 1174 1 7 . 1 1 4 4 LEU CA C 4 54.223 54.223 54.054 0.169 19998 1175 1 7 . 1 1 4 4 LEU CB C 4 44.578 44.578 44.174 0.404 19998 1176 1 7 . 1 1 4 4 LEU H H 4 8.815 8.815 8.366 0.449 19998 1177 1 7 . 1 1 5 5 GLY N N 5 107.508 107.508 110.051 -2.543 19998 1178 1 7 . 1 1 5 5 GLY C C 5 169.768 169.768 173.398 -3.630 19998 1179 1 7 . 1 1 5 5 GLY CA C 5 43.052 43.052 43.815 -0.763 19998 1180 1 7 . 1 1 5 5 GLY H H 5 7.999 7.999 8.322 -0.323 19998 1181 1 7 . 1 1 6 6 PHE N N 6 116.953 116.953 120.259 -3.306 19998 1182 1 7 . 1 1 6 6 PHE HA H 6 3.619 3.619 4.057 -0.438 19998 1183 1 7 . 1 1 6 6 PHE C C 6 174.967 174.967 176.766 -1.799 19998 1184 1 7 . 1 1 6 6 PHE CA C 6 60.101 60.101 58.510 1.591 19998 1185 1 7 . 1 1 6 6 PHE CB C 6 39.506 39.506 39.395 0.111 19998 1186 1 7 . 1 1 6 6 PHE H H 6 8.392 8.392 8.404 -0.012 19998 1187 1 7 . 1 1 7 7 GLY N N 7 115.074 115.074 115.160 -0.086 19998 1188 1 7 . 1 1 7 7 GLY C C 7 171.017 171.017 173.845 -2.828 19998 1189 1 7 . 1 1 7 7 GLY CA C 7 44.844 44.844 44.842 0.002 19998 1190 1 7 . 1 1 7 7 GLY H H 7 8.645 8.645 7.408 1.237 19998 1191 1 7 . 1 1 8 8 LYS N N 8 120.051 120.051 120.800 -0.749 19998 1192 1 7 . 1 1 8 8 LYS HA H 8 4.313 4.313 4.652 -0.339 19998 1193 1 7 . 1 1 8 8 LYS C C 8 173.878 173.878 175.959 -2.081 19998 1194 1 7 . 1 1 8 8 LYS CA C 8 54.570 54.570 54.196 0.374 19998 1195 1 7 . 1 1 8 8 LYS CB C 8 32.391 32.391 34.337 -1.946 19998 1196 1 7 . 1 1 8 8 LYS H H 8 7.429 7.429 7.388 0.041 19998 1197 1 7 . 1 1 9 9 SER N N 9 117.004 117.004 116.103 0.901 19998 1198 1 7 . 1 1 9 9 SER HA H 9 4.315 4.315 4.734 -0.419 19998 1199 1 7 . 1 1 9 9 SER C C 9 170.486 170.486 174.537 -4.051 19998 1200 1 7 . 1 1 9 9 SER CB C 9 63.355 63.355 62.684 0.671 19998 1201 1 7 . 1 1 9 9 SER H H 9 8.542 8.542 8.455 0.087 19998 1202 1 7 . 1 1 10 10 CYS N N 10 119.238 119.238 121.387 -2.149 19998 1203 1 7 . 1 1 10 10 CYS HA H 10 4.833 4.833 4.765 0.068 19998 1204 1 7 . 1 1 10 10 CYS C C 10 168.106 168.106 173.792 -5.686 19998 1205 1 7 . 1 1 10 10 CYS CA C 10 53.907 53.907 56.092 -2.185 19998 1206 1 7 . 1 1 10 10 CYS CB C 10 45.841 45.841 30.073 15.768 19998 1207 1 7 . 1 1 10 10 CYS H H 10 8.188 8.188 8.472 -0.284 19998 1208 1 7 . 1 1 11 11 ASN N N 11 119.594 119.594 118.934 0.660 19998 1209 1 7 . 1 1 11 11 ASN HA H 11 5.124 5.124 5.203 -0.079 19998 1210 1 7 . 1 1 11 11 ASN CA C 11 48.476 48.476 49.550 -1.074 19998 1211 1 7 . 1 1 11 11 ASN CB C 11 40.000 40.000 40.286 -0.286 19998 1212 1 7 . 1 1 11 11 ASN H H 11 9.129 9.129 8.611 0.518 19998 1213 1 7 . 1 1 12 12 PRO HA H 12 3.848 3.848 4.431 -0.583 19998 1214 1 7 . 1 1 12 12 PRO C C 12 174.197 174.197 178.157 -3.960 19998 1215 1 7 . 1 1 12 12 PRO CA C 12 64.689 64.689 64.667 0.022 19998 1216 1 7 . 1 1 12 12 PRO CB C 12 31.883 31.883 32.136 -0.253 19998 1217 1 7 . 1 1 13 13 SER N N 13 110.351 110.351 112.668 -2.317 19998 1218 1 7 . 1 1 13 13 SER HA H 13 4.394 4.394 4.248 0.146 19998 1219 1 7 . 1 1 13 13 SER C C 13 170.980 170.980 174.111 -3.131 19998 1220 1 7 . 1 1 13 13 SER CA C 13 59.326 59.326 60.318 -0.992 19998 1221 1 7 . 1 1 13 13 SER CB C 13 63.380 63.380 62.931 0.450 19998 1222 1 7 . 1 1 13 13 SER H H 13 7.785 7.785 8.446 -0.661 19998 1223 1 7 . 1 1 14 14 ASN N N 14 120.660 120.660 118.561 2.099 19998 1224 1 7 . 1 1 14 14 ASN HA H 14 4.638 4.638 4.882 -0.244 19998 1225 1 7 . 1 1 14 14 ASN C C 14 171.412 171.412 173.440 -2.028 19998 1226 1 7 . 1 1 14 14 ASN CA C 14 52.806 52.806 51.791 1.015 19998 1227 1 7 . 1 1 14 14 ASN CB C 14 37.810 37.810 39.264 -1.454 19998 1228 1 7 . 1 1 14 14 ASN H H 14 7.613 7.613 7.772 -0.159 19998 1229 1 7 . 1 1 15 15 ASP N N 15 124.062 124.062 121.378 2.684 19998 1230 1 7 . 1 1 15 15 ASP HA H 15 4.110 4.110 4.535 -0.425 19998 1231 1 7 . 1 1 15 15 ASP C C 15 174.918 174.918 175.777 -0.859 19998 1232 1 7 . 1 1 15 15 ASP CA C 15 55.774 55.774 54.834 0.940 19998 1233 1 7 . 1 1 15 15 ASP CB C 15 41.360 41.360 40.550 0.810 19998 1234 1 7 . 1 1 15 15 ASP H H 15 8.695 8.695 8.018 0.677 19998 1235 1 7 . 1 1 16 16 GLN N N 16 127.008 127.008 123.409 3.599 19998 1236 1 7 . 1 1 16 16 GLN HA H 16 4.613 4.613 4.511 0.102 19998 1237 1 7 . 1 1 16 16 GLN C C 16 173.874 173.874 174.283 -0.409 19998 1238 1 7 . 1 1 16 16 GLN CA C 16 54.522 54.522 55.147 -0.625 19998 1239 1 7 . 1 1 16 16 GLN CB C 16 28.327 28.327 29.499 -1.172 19998 1240 1 7 . 1 1 16 16 GLN H H 16 8.041 8.041 8.643 -0.602 19998 1241 1 7 . 1 1 17 17 CYS N N 17 122.234 122.234 118.577 3.657 19998 1242 1 7 . 1 1 17 17 CYS HA H 17 4.983 4.983 4.767 0.216 19998 1243 1 7 . 1 1 17 17 CYS C C 17 173.908 173.908 174.802 -0.894 19998 1244 1 7 . 1 1 17 17 CYS CA C 17 56.486 56.486 57.630 -1.144 19998 1245 1 7 . 1 1 17 17 CYS CB C 17 38.906 38.906 30.517 8.389 19998 1246 1 7 . 1 1 17 17 CYS H H 17 9.314 9.314 8.036 1.278 19998 1247 1 7 . 1 1 18 18 CYS N N 18 118.883 118.883 122.581 -3.698 19998 1248 1 7 . 1 1 18 18 CYS HA H 18 4.608 4.608 4.536 0.072 19998 1249 1 7 . 1 1 18 18 CYS C C 18 172.722 172.722 176.012 -3.290 19998 1250 1 7 . 1 1 18 18 CYS CA C 18 55.521 55.521 59.123 -3.602 19998 1251 1 7 . 1 1 18 18 CYS CB C 18 41.367 41.367 26.263 15.104 19998 1252 1 7 . 1 1 18 18 CYS H H 18 9.192 9.192 8.618 0.574 19998 1253 1 7 . 1 1 19 19 LYS N N 19 131.730 131.730 126.520 5.210 19998 1254 1 7 . 1 1 19 19 LYS HA H 19 4.332 4.332 4.120 0.212 19998 1255 1 7 . 1 1 19 19 LYS C C 19 177.997 177.997 178.910 -0.913 19998 1256 1 7 . 1 1 19 19 LYS CA C 19 58.426 58.426 58.998 -0.572 19998 1257 1 7 . 1 1 19 19 LYS CB C 19 31.319 31.319 32.296 -0.977 19998 1258 1 7 . 1 1 19 19 LYS H H 19 8.890 8.890 8.605 0.285 19998 1259 1 7 . 1 1 20 20 SER N N 20 115.887 115.887 114.484 1.403 19998 1260 1 7 . 1 1 20 20 SER HA H 20 4.334 4.334 4.279 0.055 19998 1261 1 7 . 1 1 20 20 SER C C 20 172.946 172.946 175.334 -2.388 19998 1262 1 7 . 1 1 20 20 SER CA C 20 60.311 60.311 60.565 -0.254 19998 1263 1 7 . 1 1 20 20 SER CB C 20 62.327 62.327 62.909 -0.582 19998 1264 1 7 . 1 1 20 20 SER H H 20 8.856 8.856 8.607 0.249 19998 1265 1 7 . 1 1 21 21 SER N N 21 116.191 116.191 114.807 1.384 19998 1266 1 7 . 1 1 21 21 SER HA H 21 4.833 4.833 4.599 0.234 19998 1267 1 7 . 1 1 21 21 SER C C 21 170.505 170.505 173.282 -2.777 19998 1268 1 7 . 1 1 21 21 SER CA C 21 57.500 57.500 58.275 -0.775 19998 1269 1 7 . 1 1 21 21 SER CB C 21 63.852 63.852 63.706 0.146 19998 1270 1 7 . 1 1 21 21 SER H H 21 7.068 7.068 7.494 -0.426 19998 1271 1 7 . 1 1 22 22 SER N N 22 111.723 111.723 115.790 -4.067 19998 1272 1 7 . 1 1 22 22 SER HA H 22 4.099 4.099 4.126 -0.027 19998 1273 1 7 . 1 1 22 22 SER C C 22 170.369 170.369 172.900 -2.531 19998 1274 1 7 . 1 1 22 22 SER CA C 22 59.140 59.140 59.806 -0.666 19998 1275 1 7 . 1 1 22 22 SER CB C 22 61.339 61.339 61.348 -0.009 19998 1276 1 7 . 1 1 22 22 SER H H 22 8.113 8.113 8.289 -0.176 19998 1277 1 7 . 1 1 23 23 LEU N N 23 115.988 115.988 119.029 -3.041 19998 1278 1 7 . 1 1 23 23 LEU HA H 23 4.898 4.898 4.916 -0.018 19998 1279 1 7 . 1 1 23 23 LEU C C 23 173.712 173.712 175.557 -1.845 19998 1280 1 7 . 1 1 23 23 LEU CA C 23 53.083 53.083 53.380 -0.297 19998 1281 1 7 . 1 1 23 23 LEU CB C 23 46.062 46.062 45.142 0.920 19998 1282 1 7 . 1 1 23 23 LEU H H 23 7.111 7.111 7.633 -0.522 19998 1283 1 7 . 1 1 24 24 ALA N N 24 119.898 119.898 120.901 -1.003 19998 1284 1 7 . 1 1 24 24 ALA HA H 24 4.466 4.466 4.653 -0.187 19998 1285 1 7 . 1 1 24 24 ALA C C 24 173.491 173.491 174.724 -1.233 19998 1286 1 7 . 1 1 24 24 ALA CA C 24 51.167 51.167 51.751 -0.584 19998 1287 1 7 . 1 1 24 24 ALA CB C 24 23.237 23.237 21.715 1.522 19998 1288 1 7 . 1 1 24 24 ALA H H 24 8.904 8.904 7.815 1.089 19998 1289 1 7 . 1 1 25 25 CYS N N 25 122.945 122.945 121.236 1.709 19998 1290 1 7 . 1 1 25 25 CYS HA H 25 4.452 4.452 5.100 -0.648 19998 1291 1 7 . 1 1 25 25 CYS C C 25 171.574 171.574 175.027 -3.453 19998 1292 1 7 . 1 1 25 25 CYS CA C 25 56.132 56.132 58.111 -1.979 19998 1293 1 7 . 1 1 25 25 CYS CB C 25 39.179 39.179 26.616 12.563 19998 1294 1 7 . 1 1 25 25 CYS H H 25 9.847 9.847 8.655 1.192 19998 1295 1 7 . 1 1 26 26 SER N N 26 122.285 122.285 122.337 -0.052 19998 1296 1 7 . 1 1 26 26 SER HA H 26 4.543 4.543 4.714 -0.171 19998 1297 1 7 . 1 1 26 26 SER CA C 26 57.773 57.773 57.192 0.581 19998 1298 1 7 . 1 1 26 26 SER CB C 26 63.789 63.789 65.933 -2.144 19998 1299 1 7 . 1 1 26 26 SER H H 26 7.791 7.791 8.367 -0.576 19998 1300 1 7 . 1 1 27 27 THR N N 27 122.390 122.390 121.295 1.095 19998 1301 1 7 . 1 1 27 27 THR HA H 27 3.778 3.778 4.208 -0.430 19998 1302 1 7 . 1 1 27 27 THR C C 27 172.781 172.781 175.304 -2.523 19998 1303 1 7 . 1 1 27 27 THR CA C 27 65.390 65.390 64.525 0.866 19998 1304 1 7 . 1 1 27 27 THR CB C 27 68.458 68.458 68.850 -0.392 19998 1305 1 7 . 1 1 27 27 THR H H 27 8.874 8.874 8.731 0.143 19998 1306 1 7 . 1 1 28 28 LYS N N 28 118.883 118.883 120.957 -2.074 19998 1307 1 7 . 1 1 28 28 LYS HA H 28 4.031 4.031 4.174 -0.143 19998 1308 1 7 . 1 1 28 28 LYS C C 28 174.613 174.613 177.012 -2.399 19998 1309 1 7 . 1 1 28 28 LYS CA C 28 57.799 57.799 58.554 -0.756 19998 1310 1 7 . 1 1 28 28 LYS CB C 28 33.164 33.164 32.479 0.685 19998 1311 1 7 . 1 1 28 28 LYS H H 28 7.609 7.609 8.164 -0.555 19998 1312 1 7 . 1 1 29 29 HIS N N 29 113.398 113.398 114.963 -1.565 19998 1313 1 7 . 1 1 29 29 HIS HA H 29 4.284 4.284 4.623 -0.339 19998 1314 1 7 . 1 1 29 29 HIS CA C 29 55.586 55.586 55.507 0.079 19998 1315 1 7 . 1 1 29 29 HIS CB C 29 29.062 29.062 30.699 -1.637 19998 1316 1 7 . 1 1 29 29 HIS H H 29 7.450 7.450 8.074 -0.624 19998 1317 1 7 . 1 1 30 30 LYS N N 30 116.344 116.344 119.076 -2.732 19998 1318 1 7 . 1 1 30 30 LYS HA H 30 3.888 3.888 4.215 -0.327 19998 1319 1 7 . 1 1 30 30 LYS CA C 30 57.500 57.500 57.354 0.146 19998 1320 1 7 . 1 1 30 30 LYS CB C 30 29.609 29.609 30.623 -1.014 19998 1321 1 7 . 1 1 30 30 LYS H H 30 8.261 8.261 8.432 -0.171 19998 1322 1 7 . 1 1 31 31 TRP N N 31 117.766 117.766 114.926 2.840 19998 1323 1 7 . 1 1 31 31 TRP HA H 31 5.477 5.477 5.016 0.461 19998 1324 1 7 . 1 1 31 31 TRP C C 31 174.754 174.754 174.400 0.354 19998 1325 1 7 . 1 1 31 31 TRP CA C 31 55.756 55.756 54.212 1.544 19998 1326 1 7 . 1 1 31 31 TRP CB C 31 30.976 30.976 29.851 1.125 19998 1327 1 7 . 1 1 31 31 TRP H H 31 8.483 8.483 7.768 0.715 19998 1328 1 7 . 1 1 32 32 CYS N N 32 118.984 118.984 122.906 -3.922 19998 1329 1 7 . 1 1 32 32 CYS HA H 32 4.747 4.747 4.336 0.411 19998 1330 1 7 . 1 1 32 32 CYS C C 32 171.472 171.472 174.734 -3.262 19998 1331 1 7 . 1 1 32 32 CYS CA C 32 54.733 54.733 59.166 -4.433 19998 1332 1 7 . 1 1 32 32 CYS CB C 32 39.524 39.524 24.573 14.951 19998 1333 1 7 . 1 1 32 32 CYS H H 32 8.474 8.474 8.413 0.061 19998 1334 1 7 . 1 1 33 33 LYS N N 33 124.672 124.672 123.841 0.831 19998 1335 1 7 . 1 1 33 33 LYS HA H 33 4.717 4.717 4.085 0.632 19998 1336 1 7 . 1 1 33 33 LYS C C 33 172.236 172.236 175.448 -3.212 19998 1337 1 7 . 1 1 33 33 LYS CA C 33 54.730 54.730 54.126 0.604 19998 1338 1 7 . 1 1 33 33 LYS CB C 33 35.429 35.429 33.918 1.511 19998 1339 1 7 . 1 1 33 33 LYS H H 33 9.027 9.027 8.420 0.607 19998 1340 1 7 . 1 1 34 34 TYR N N 34 120.102 120.102 122.756 -2.654 19998 1341 1 7 . 1 1 34 34 TYR HA H 34 4.878 4.878 4.582 0.296 19998 1342 1 7 . 1 1 34 34 TYR C C 34 174.034 174.034 176.868 -2.834 19998 1343 1 7 . 1 1 34 34 TYR CA C 34 59.262 59.262 58.586 0.676 19998 1344 1 7 . 1 1 34 34 TYR CB C 34 38.633 38.633 37.896 0.737 19998 1345 1 7 . 1 1 34 34 TYR H H 34 8.092 8.092 8.701 -0.609 19998 1346 1 7 . 1 1 35 35 GLU N N 35 124.362 124.362 126.310 -1.948 19998 1347 1 7 . 1 1 35 35 GLU HA H 35 4.462 4.462 4.314 0.148 19998 1348 1 7 . 1 1 35 35 GLU C C 35 172.127 172.127 175.481 -3.354 19998 1349 1 7 . 1 1 35 35 GLU CA C 35 56.267 56.267 56.647 -0.380 19998 1350 1 7 . 1 1 35 35 GLU CB C 35 30.852 30.852 29.801 1.051 19998 1351 1 7 . 1 1 35 35 GLU H H 35 8.754 8.754 8.698 0.056 19998 1352 1 8 . 1 1 2 2 ALA N N 2 123.910 123.910 123.838 0.072 19998 1353 1 8 . 1 1 2 2 ALA HA H 2 4.464 4.464 4.749 -0.285 19998 1354 1 8 . 1 1 2 2 ALA C C 2 174.673 174.673 176.158 -1.485 19998 1355 1 8 . 1 1 2 2 ALA CA C 2 52.168 52.168 52.170 -0.002 19998 1356 1 8 . 1 1 2 2 ALA CB C 2 19.690 19.690 18.930 0.760 19998 1357 1 8 . 1 1 2 2 ALA H H 2 8.561 8.561 7.948 0.613 19998 1358 1 8 . 1 1 3 3 CYS N N 3 117.207 117.207 119.059 -1.852 19998 1359 1 8 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.682 0.283 19998 1360 1 8 . 1 1 3 3 CYS C C 3 170.808 170.808 172.785 -1.977 19998 1361 1 8 . 1 1 3 3 CYS CA C 3 54.754 54.754 57.095 -2.341 19998 1362 1 8 . 1 1 3 3 CYS CB C 3 44.067 44.067 29.428 14.639 19998 1363 1 8 . 1 1 3 3 CYS H H 3 8.335 8.335 8.176 0.159 19998 1364 1 8 . 1 1 4 4 LEU N N 4 121.828 121.828 122.696 -0.868 19998 1365 1 8 . 1 1 4 4 LEU HA H 4 4.345 4.345 4.607 -0.262 19998 1366 1 8 . 1 1 4 4 LEU C C 4 172.234 172.234 177.195 -4.961 19998 1367 1 8 . 1 1 4 4 LEU CA C 4 54.223 54.223 54.041 0.181 19998 1368 1 8 . 1 1 4 4 LEU CB C 4 44.578 44.578 43.875 0.703 19998 1369 1 8 . 1 1 4 4 LEU H H 4 8.815 8.815 8.378 0.437 19998 1370 1 8 . 1 1 5 5 GLY N N 5 107.508 107.508 110.370 -2.862 19998 1371 1 8 . 1 1 5 5 GLY C C 5 169.768 169.768 173.420 -3.652 19998 1372 1 8 . 1 1 5 5 GLY CA C 5 43.052 43.052 43.976 -0.924 19998 1373 1 8 . 1 1 5 5 GLY H H 5 7.999 7.999 8.321 -0.322 19998 1374 1 8 . 1 1 6 6 PHE N N 6 116.953 116.953 120.803 -3.850 19998 1375 1 8 . 1 1 6 6 PHE HA H 6 3.619 3.619 4.020 -0.401 19998 1376 1 8 . 1 1 6 6 PHE C C 6 174.967 174.967 176.764 -1.797 19998 1377 1 8 . 1 1 6 6 PHE CA C 6 60.101 60.101 58.963 1.138 19998 1378 1 8 . 1 1 6 6 PHE CB C 6 39.506 39.506 39.120 0.386 19998 1379 1 8 . 1 1 6 6 PHE H H 6 8.392 8.392 8.527 -0.135 19998 1380 1 8 . 1 1 7 7 GLY N N 7 115.074 115.074 115.648 -0.574 19998 1381 1 8 . 1 1 7 7 GLY C C 7 171.017 171.017 173.947 -2.930 19998 1382 1 8 . 1 1 7 7 GLY CA C 7 44.844 44.844 44.856 -0.012 19998 1383 1 8 . 1 1 7 7 GLY H H 7 8.645 8.645 7.392 1.253 19998 1384 1 8 . 1 1 8 8 LYS N N 8 120.051 120.051 120.814 -0.763 19998 1385 1 8 . 1 1 8 8 LYS HA H 8 4.313 4.313 4.606 -0.293 19998 1386 1 8 . 1 1 8 8 LYS C C 8 173.878 173.878 175.926 -2.048 19998 1387 1 8 . 1 1 8 8 LYS CA C 8 54.570 54.570 54.212 0.358 19998 1388 1 8 . 1 1 8 8 LYS CB C 8 32.391 32.391 34.189 -1.798 19998 1389 1 8 . 1 1 8 8 LYS H H 8 7.429 7.429 7.361 0.068 19998 1390 1 8 . 1 1 9 9 SER N N 9 117.004 117.004 117.235 -0.231 19998 1391 1 8 . 1 1 9 9 SER HA H 9 4.315 4.315 4.641 -0.326 19998 1392 1 8 . 1 1 9 9 SER C C 9 170.486 170.486 174.501 -4.015 19998 1393 1 8 . 1 1 9 9 SER CB C 9 63.355 63.355 62.694 0.661 19998 1394 1 8 . 1 1 9 9 SER H H 9 8.542 8.542 8.508 0.034 19998 1395 1 8 . 1 1 10 10 CYS N N 10 119.238 119.238 121.153 -1.915 19998 1396 1 8 . 1 1 10 10 CYS HA H 10 4.833 4.833 4.723 0.110 19998 1397 1 8 . 1 1 10 10 CYS C C 10 168.106 168.106 173.114 -5.008 19998 1398 1 8 . 1 1 10 10 CYS CA C 10 53.907 53.907 55.939 -2.032 19998 1399 1 8 . 1 1 10 10 CYS CB C 10 45.841 45.841 30.339 15.502 19998 1400 1 8 . 1 1 10 10 CYS H H 10 8.188 8.188 8.267 -0.079 19998 1401 1 8 . 1 1 11 11 ASN N N 11 119.594 119.594 118.728 0.866 19998 1402 1 8 . 1 1 11 11 ASN HA H 11 5.124 5.124 5.200 -0.076 19998 1403 1 8 . 1 1 11 11 ASN CA C 11 48.476 48.476 49.736 -1.260 19998 1404 1 8 . 1 1 11 11 ASN CB C 11 40.000 40.000 41.023 -1.023 19998 1405 1 8 . 1 1 11 11 ASN H H 11 9.129 9.129 8.608 0.521 19998 1406 1 8 . 1 1 12 12 PRO HA H 12 3.848 3.848 4.455 -0.607 19998 1407 1 8 . 1 1 12 12 PRO C C 12 174.197 174.197 178.494 -4.297 19998 1408 1 8 . 1 1 12 12 PRO CA C 12 64.689 64.689 64.874 -0.185 19998 1409 1 8 . 1 1 12 12 PRO CB C 12 31.883 31.883 32.243 -0.360 19998 1410 1 8 . 1 1 13 13 SER N N 13 110.351 110.351 112.454 -2.103 19998 1411 1 8 . 1 1 13 13 SER HA H 13 4.394 4.394 4.238 0.156 19998 1412 1 8 . 1 1 13 13 SER C C 13 170.980 170.980 173.951 -2.971 19998 1413 1 8 . 1 1 13 13 SER CA C 13 59.326 59.326 59.811 -0.485 19998 1414 1 8 . 1 1 13 13 SER CB C 13 63.380 63.380 63.016 0.365 19998 1415 1 8 . 1 1 13 13 SER H H 13 7.785 7.785 8.400 -0.615 19998 1416 1 8 . 1 1 14 14 ASN N N 14 120.660 120.660 118.226 2.434 19998 1417 1 8 . 1 1 14 14 ASN HA H 14 4.638 4.638 4.900 -0.262 19998 1418 1 8 . 1 1 14 14 ASN C C 14 171.412 171.412 173.499 -2.087 19998 1419 1 8 . 1 1 14 14 ASN CA C 14 52.806 52.806 51.818 0.988 19998 1420 1 8 . 1 1 14 14 ASN CB C 14 37.810 37.810 38.985 -1.175 19998 1421 1 8 . 1 1 14 14 ASN H H 14 7.613 7.613 7.799 -0.186 19998 1422 1 8 . 1 1 15 15 ASP N N 15 124.062 124.062 121.151 2.911 19998 1423 1 8 . 1 1 15 15 ASP HA H 15 4.110 4.110 4.497 -0.387 19998 1424 1 8 . 1 1 15 15 ASP C C 15 174.918 174.918 175.677 -0.759 19998 1425 1 8 . 1 1 15 15 ASP CA C 15 55.774 55.774 54.808 0.966 19998 1426 1 8 . 1 1 15 15 ASP CB C 15 41.360 41.360 40.676 0.684 19998 1427 1 8 . 1 1 15 15 ASP H H 15 8.695 8.695 7.978 0.717 19998 1428 1 8 . 1 1 16 16 GLN N N 16 127.008 127.008 122.042 4.966 19998 1429 1 8 . 1 1 16 16 GLN HA H 16 4.613 4.613 4.596 0.017 19998 1430 1 8 . 1 1 16 16 GLN C C 16 173.874 173.874 174.042 -0.168 19998 1431 1 8 . 1 1 16 16 GLN CA C 16 54.522 54.522 54.805 -0.283 19998 1432 1 8 . 1 1 16 16 GLN CB C 16 28.327 28.327 29.122 -0.795 19998 1433 1 8 . 1 1 16 16 GLN H H 16 8.041 8.041 8.555 -0.514 19998 1434 1 8 . 1 1 17 17 CYS N N 17 122.234 122.234 119.012 3.222 19998 1435 1 8 . 1 1 17 17 CYS HA H 17 4.983 4.983 4.813 0.170 19998 1436 1 8 . 1 1 17 17 CYS C C 17 173.908 173.908 174.755 -0.847 19998 1437 1 8 . 1 1 17 17 CYS CA C 17 56.486 56.486 57.736 -1.250 19998 1438 1 8 . 1 1 17 17 CYS CB C 17 38.906 38.906 30.535 8.370 19998 1439 1 8 . 1 1 17 17 CYS H H 17 9.314 9.314 8.234 1.080 19998 1440 1 8 . 1 1 18 18 CYS N N 18 118.883 118.883 122.755 -3.872 19998 1441 1 8 . 1 1 18 18 CYS HA H 18 4.608 4.608 4.463 0.145 19998 1442 1 8 . 1 1 18 18 CYS C C 18 172.722 172.722 175.794 -3.072 19998 1443 1 8 . 1 1 18 18 CYS CA C 18 55.521 55.521 59.285 -3.764 19998 1444 1 8 . 1 1 18 18 CYS CB C 18 41.367 41.367 25.842 15.525 19998 1445 1 8 . 1 1 18 18 CYS H H 18 9.192 9.192 8.606 0.586 19998 1446 1 8 . 1 1 19 19 LYS N N 19 131.730 131.730 126.212 5.518 19998 1447 1 8 . 1 1 19 19 LYS HA H 19 4.332 4.332 4.100 0.232 19998 1448 1 8 . 1 1 19 19 LYS C C 19 177.997 177.997 178.672 -0.675 19998 1449 1 8 . 1 1 19 19 LYS CA C 19 58.426 58.426 58.922 -0.496 19998 1450 1 8 . 1 1 19 19 LYS CB C 19 31.319 31.319 32.205 -0.886 19998 1451 1 8 . 1 1 19 19 LYS H H 19 8.890 8.890 8.490 0.400 19998 1452 1 8 . 1 1 20 20 SER N N 20 115.887 115.887 114.804 1.083 19998 1453 1 8 . 1 1 20 20 SER HA H 20 4.334 4.334 4.302 0.032 19998 1454 1 8 . 1 1 20 20 SER C C 20 172.946 172.946 175.406 -2.460 19998 1455 1 8 . 1 1 20 20 SER CA C 20 60.311 60.311 60.679 -0.368 19998 1456 1 8 . 1 1 20 20 SER CB C 20 62.327 62.327 62.415 -0.088 19998 1457 1 8 . 1 1 20 20 SER H H 20 8.856 8.856 8.688 0.168 19998 1458 1 8 . 1 1 21 21 SER N N 21 116.191 116.191 115.087 1.104 19998 1459 1 8 . 1 1 21 21 SER HA H 21 4.833 4.833 4.593 0.240 19998 1460 1 8 . 1 1 21 21 SER C C 21 170.505 170.505 173.247 -2.742 19998 1461 1 8 . 1 1 21 21 SER CA C 21 57.500 57.500 58.272 -0.772 19998 1462 1 8 . 1 1 21 21 SER CB C 21 63.852 63.852 63.549 0.303 19998 1463 1 8 . 1 1 21 21 SER H H 21 7.068 7.068 7.432 -0.364 19998 1464 1 8 . 1 1 22 22 SER N N 22 111.723 111.723 115.961 -4.238 19998 1465 1 8 . 1 1 22 22 SER HA H 22 4.099 4.099 4.108 -0.009 19998 1466 1 8 . 1 1 22 22 SER C C 22 170.369 170.369 172.896 -2.527 19998 1467 1 8 . 1 1 22 22 SER CA C 22 59.140 59.140 59.596 -0.456 19998 1468 1 8 . 1 1 22 22 SER CB C 22 61.339 61.339 61.586 -0.247 19998 1469 1 8 . 1 1 22 22 SER H H 22 8.113 8.113 8.160 -0.047 19998 1470 1 8 . 1 1 23 23 LEU N N 23 115.988 115.988 119.268 -3.280 19998 1471 1 8 . 1 1 23 23 LEU HA H 23 4.898 4.898 4.929 -0.031 19998 1472 1 8 . 1 1 23 23 LEU C C 23 173.712 173.712 175.223 -1.511 19998 1473 1 8 . 1 1 23 23 LEU CA C 23 53.083 53.083 53.321 -0.238 19998 1474 1 8 . 1 1 23 23 LEU CB C 23 46.062 46.062 45.724 0.338 19998 1475 1 8 . 1 1 23 23 LEU H H 23 7.111 7.111 7.608 -0.497 19998 1476 1 8 . 1 1 24 24 ALA N N 24 119.898 119.898 120.580 -0.682 19998 1477 1 8 . 1 1 24 24 ALA HA H 24 4.466 4.466 4.653 -0.187 19998 1478 1 8 . 1 1 24 24 ALA C C 24 173.491 173.491 174.694 -1.203 19998 1479 1 8 . 1 1 24 24 ALA CA C 24 51.167 51.167 51.762 -0.595 19998 1480 1 8 . 1 1 24 24 ALA CB C 24 23.237 23.237 21.753 1.484 19998 1481 1 8 . 1 1 24 24 ALA H H 24 8.904 8.904 7.743 1.161 19998 1482 1 8 . 1 1 25 25 CYS N N 25 122.945 122.945 121.344 1.601 19998 1483 1 8 . 1 1 25 25 CYS HA H 25 4.452 4.452 5.032 -0.580 19998 1484 1 8 . 1 1 25 25 CYS C C 25 171.574 171.574 174.983 -3.409 19998 1485 1 8 . 1 1 25 25 CYS CA C 25 56.132 56.132 57.850 -1.718 19998 1486 1 8 . 1 1 25 25 CYS CB C 25 39.179 39.179 26.687 12.492 19998 1487 1 8 . 1 1 25 25 CYS H H 25 9.847 9.847 8.621 1.226 19998 1488 1 8 . 1 1 26 26 SER N N 26 122.285 122.285 123.246 -0.961 19998 1489 1 8 . 1 1 26 26 SER HA H 26 4.543 4.543 4.731 -0.188 19998 1490 1 8 . 1 1 26 26 SER CA C 26 57.773 57.773 57.319 0.454 19998 1491 1 8 . 1 1 26 26 SER CB C 26 63.789 63.789 65.645 -1.856 19998 1492 1 8 . 1 1 26 26 SER H H 26 7.791 7.791 8.375 -0.584 19998 1493 1 8 . 1 1 27 27 THR N N 27 122.390 122.390 120.804 1.586 19998 1494 1 8 . 1 1 27 27 THR HA H 27 3.778 3.778 4.292 -0.514 19998 1495 1 8 . 1 1 27 27 THR C C 27 172.781 172.781 175.162 -2.381 19998 1496 1 8 . 1 1 27 27 THR CA C 27 65.390 65.390 64.333 1.057 19998 1497 1 8 . 1 1 27 27 THR CB C 27 68.458 68.458 68.588 -0.130 19998 1498 1 8 . 1 1 27 27 THR H H 27 8.874 8.874 8.659 0.215 19998 1499 1 8 . 1 1 28 28 LYS N N 28 118.883 118.883 120.762 -1.879 19998 1500 1 8 . 1 1 28 28 LYS HA H 28 4.031 4.031 4.179 -0.148 19998 1501 1 8 . 1 1 28 28 LYS C C 28 174.613 174.613 176.896 -2.283 19998 1502 1 8 . 1 1 28 28 LYS CA C 28 57.799 57.799 58.569 -0.770 19998 1503 1 8 . 1 1 28 28 LYS CB C 28 33.164 33.164 32.463 0.701 19998 1504 1 8 . 1 1 28 28 LYS H H 28 7.609 7.609 7.982 -0.373 19998 1505 1 8 . 1 1 29 29 HIS N N 29 113.398 113.398 114.963 -1.565 19998 1506 1 8 . 1 1 29 29 HIS HA H 29 4.284 4.284 4.622 -0.338 19998 1507 1 8 . 1 1 29 29 HIS CA C 29 55.586 55.586 55.418 0.168 19998 1508 1 8 . 1 1 29 29 HIS CB C 29 29.062 29.062 30.561 -1.499 19998 1509 1 8 . 1 1 29 29 HIS H H 29 7.450 7.450 7.992 -0.542 19998 1510 1 8 . 1 1 30 30 LYS N N 30 116.344 116.344 118.980 -2.636 19998 1511 1 8 . 1 1 30 30 LYS HA H 30 3.888 3.888 4.218 -0.330 19998 1512 1 8 . 1 1 30 30 LYS CA C 30 57.500 57.500 57.333 0.167 19998 1513 1 8 . 1 1 30 30 LYS CB C 30 29.609 29.609 30.673 -1.064 19998 1514 1 8 . 1 1 30 30 LYS H H 30 8.261 8.261 8.423 -0.162 19998 1515 1 8 . 1 1 31 31 TRP N N 31 117.766 117.766 114.858 2.908 19998 1516 1 8 . 1 1 31 31 TRP HA H 31 5.477 5.477 5.029 0.448 19998 1517 1 8 . 1 1 31 31 TRP C C 31 174.754 174.754 174.430 0.324 19998 1518 1 8 . 1 1 31 31 TRP CA C 31 55.756 55.756 54.194 1.562 19998 1519 1 8 . 1 1 31 31 TRP CB C 31 30.976 30.976 29.793 1.183 19998 1520 1 8 . 1 1 31 31 TRP H H 31 8.483 8.483 7.725 0.758 19998 1521 1 8 . 1 1 32 32 CYS N N 32 118.984 118.984 123.064 -4.080 19998 1522 1 8 . 1 1 32 32 CYS HA H 32 4.747 4.747 4.311 0.436 19998 1523 1 8 . 1 1 32 32 CYS C C 32 171.472 171.472 174.768 -3.296 19998 1524 1 8 . 1 1 32 32 CYS CA C 32 54.733 54.733 59.180 -4.447 19998 1525 1 8 . 1 1 32 32 CYS CB C 32 39.524 39.524 24.536 14.988 19998 1526 1 8 . 1 1 32 32 CYS H H 32 8.474 8.474 8.423 0.051 19998 1527 1 8 . 1 1 33 33 LYS N N 33 124.672 124.672 123.821 0.851 19998 1528 1 8 . 1 1 33 33 LYS HA H 33 4.717 4.717 4.084 0.633 19998 1529 1 8 . 1 1 33 33 LYS C C 33 172.236 172.236 175.464 -3.228 19998 1530 1 8 . 1 1 33 33 LYS CA C 33 54.730 54.730 54.179 0.551 19998 1531 1 8 . 1 1 33 33 LYS CB C 33 35.429 35.429 33.846 1.583 19998 1532 1 8 . 1 1 33 33 LYS H H 33 9.027 9.027 8.369 0.658 19998 1533 1 8 . 1 1 34 34 TYR N N 34 120.102 120.102 122.218 -2.116 19998 1534 1 8 . 1 1 34 34 TYR HA H 34 4.878 4.878 4.620 0.258 19998 1535 1 8 . 1 1 34 34 TYR C C 34 174.034 174.034 176.802 -2.768 19998 1536 1 8 . 1 1 34 34 TYR CA C 34 59.262 59.262 58.922 0.340 19998 1537 1 8 . 1 1 34 34 TYR CB C 34 38.633 38.633 38.173 0.460 19998 1538 1 8 . 1 1 34 34 TYR H H 34 8.092 8.092 8.665 -0.573 19998 1539 1 8 . 1 1 35 35 GLU N N 35 124.362 124.362 125.207 -0.845 19998 1540 1 8 . 1 1 35 35 GLU HA H 35 4.462 4.462 4.594 -0.132 19998 1541 1 8 . 1 1 35 35 GLU C C 35 172.127 172.127 175.117 -2.990 19998 1542 1 8 . 1 1 35 35 GLU CA C 35 56.267 56.267 55.639 0.628 19998 1543 1 8 . 1 1 35 35 GLU CB C 35 30.852 30.852 30.275 0.577 19998 1544 1 8 . 1 1 35 35 GLU H H 35 8.754 8.754 8.537 0.217 19998 1545 1 9 . 1 1 2 2 ALA N N 2 123.910 123.910 124.683 -0.773 19998 1546 1 9 . 1 1 2 2 ALA HA H 2 4.464 4.464 4.921 -0.457 19998 1547 1 9 . 1 1 2 2 ALA C C 2 174.673 174.673 176.534 -1.861 19998 1548 1 9 . 1 1 2 2 ALA CA C 2 52.168 52.168 52.282 -0.114 19998 1549 1 9 . 1 1 2 2 ALA CB C 2 19.690 19.690 18.979 0.711 19998 1550 1 9 . 1 1 2 2 ALA H H 2 8.561 8.561 8.049 0.512 19998 1551 1 9 . 1 1 3 3 CYS N N 3 117.207 117.207 118.728 -1.521 19998 1552 1 9 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.666 0.299 19998 1553 1 9 . 1 1 3 3 CYS C C 3 170.808 170.808 172.505 -1.697 19998 1554 1 9 . 1 1 3 3 CYS CA C 3 54.754 54.754 57.363 -2.609 19998 1555 1 9 . 1 1 3 3 CYS CB C 3 44.067 44.067 28.906 15.161 19998 1556 1 9 . 1 1 3 3 CYS H H 3 8.335 8.335 8.294 0.041 19998 1557 1 9 . 1 1 4 4 LEU N N 4 121.828 121.828 122.804 -0.976 19998 1558 1 9 . 1 1 4 4 LEU HA H 4 4.345 4.345 4.611 -0.266 19998 1559 1 9 . 1 1 4 4 LEU C C 4 172.234 172.234 177.258 -5.024 19998 1560 1 9 . 1 1 4 4 LEU CA C 4 54.223 54.223 54.039 0.184 19998 1561 1 9 . 1 1 4 4 LEU CB C 4 44.578 44.578 43.758 0.820 19998 1562 1 9 . 1 1 4 4 LEU H H 4 8.815 8.815 8.389 0.426 19998 1563 1 9 . 1 1 5 5 GLY N N 5 107.508 107.508 110.507 -2.999 19998 1564 1 9 . 1 1 5 5 GLY C C 5 169.768 169.768 173.437 -3.669 19998 1565 1 9 . 1 1 5 5 GLY CA C 5 43.052 43.052 44.055 -1.003 19998 1566 1 9 . 1 1 5 5 GLY H H 5 7.999 7.999 8.316 -0.317 19998 1567 1 9 . 1 1 6 6 PHE N N 6 116.953 116.953 120.427 -3.474 19998 1568 1 9 . 1 1 6 6 PHE HA H 6 3.619 3.619 3.957 -0.338 19998 1569 1 9 . 1 1 6 6 PHE C C 6 174.967 174.967 177.356 -2.389 19998 1570 1 9 . 1 1 6 6 PHE CA C 6 60.101 60.101 58.623 1.478 19998 1571 1 9 . 1 1 6 6 PHE CB C 6 39.506 39.506 39.048 0.458 19998 1572 1 9 . 1 1 6 6 PHE H H 6 8.392 8.392 8.244 0.148 19998 1573 1 9 . 1 1 7 7 GLY N N 7 115.074 115.074 114.534 0.540 19998 1574 1 9 . 1 1 7 7 GLY C C 7 171.017 171.017 173.467 -2.450 19998 1575 1 9 . 1 1 7 7 GLY CA C 7 44.844 44.844 44.716 0.128 19998 1576 1 9 . 1 1 7 7 GLY H H 7 8.645 8.645 7.546 1.099 19998 1577 1 9 . 1 1 8 8 LYS N N 8 120.051 120.051 120.569 -0.518 19998 1578 1 9 . 1 1 8 8 LYS HA H 8 4.313 4.313 4.611 -0.298 19998 1579 1 9 . 1 1 8 8 LYS C C 8 173.878 173.878 176.043 -2.165 19998 1580 1 9 . 1 1 8 8 LYS CA C 8 54.570 54.570 54.130 0.440 19998 1581 1 9 . 1 1 8 8 LYS CB C 8 32.391 32.391 33.883 -1.492 19998 1582 1 9 . 1 1 8 8 LYS H H 8 7.429 7.429 7.366 0.063 19998 1583 1 9 . 1 1 9 9 SER N N 9 117.004 117.004 117.739 -0.735 19998 1584 1 9 . 1 1 9 9 SER HA H 9 4.315 4.315 4.620 -0.305 19998 1585 1 9 . 1 1 9 9 SER C C 9 170.486 170.486 174.562 -4.076 19998 1586 1 9 . 1 1 9 9 SER CB C 9 63.355 63.355 62.226 1.129 19998 1587 1 9 . 1 1 9 9 SER H H 9 8.542 8.542 8.517 0.025 19998 1588 1 9 . 1 1 10 10 CYS N N 10 119.238 119.238 121.410 -2.172 19998 1589 1 9 . 1 1 10 10 CYS HA H 10 4.833 4.833 4.762 0.071 19998 1590 1 9 . 1 1 10 10 CYS C C 10 168.106 168.106 173.589 -5.483 19998 1591 1 9 . 1 1 10 10 CYS CA C 10 53.907 53.907 56.005 -2.098 19998 1592 1 9 . 1 1 10 10 CYS CB C 10 45.841 45.841 30.922 14.919 19998 1593 1 9 . 1 1 10 10 CYS H H 10 8.188 8.188 8.456 -0.268 19998 1594 1 9 . 1 1 11 11 ASN N N 11 119.594 119.594 118.932 0.662 19998 1595 1 9 . 1 1 11 11 ASN HA H 11 5.124 5.124 5.202 -0.078 19998 1596 1 9 . 1 1 11 11 ASN CA C 11 48.476 48.476 49.542 -1.066 19998 1597 1 9 . 1 1 11 11 ASN CB C 11 40.000 40.000 40.285 -0.285 19998 1598 1 9 . 1 1 11 11 ASN H H 11 9.129 9.129 8.609 0.520 19998 1599 1 9 . 1 1 12 12 PRO HA H 12 3.848 3.848 4.475 -0.627 19998 1600 1 9 . 1 1 12 12 PRO C C 12 174.197 174.197 178.276 -4.079 19998 1601 1 9 . 1 1 12 12 PRO CA C 12 64.689 64.689 64.986 -0.296 19998 1602 1 9 . 1 1 12 12 PRO CB C 12 31.883 31.883 32.232 -0.349 19998 1603 1 9 . 1 1 13 13 SER N N 13 110.351 110.351 112.494 -2.143 19998 1604 1 9 . 1 1 13 13 SER HA H 13 4.394 4.394 4.251 0.143 19998 1605 1 9 . 1 1 13 13 SER C C 13 170.980 170.980 174.099 -3.119 19998 1606 1 9 . 1 1 13 13 SER CA C 13 59.326 59.326 60.169 -0.843 19998 1607 1 9 . 1 1 13 13 SER CB C 13 63.380 63.380 63.068 0.312 19998 1608 1 9 . 1 1 13 13 SER H H 13 7.785 7.785 8.452 -0.667 19998 1609 1 9 . 1 1 14 14 ASN N N 14 120.660 120.660 117.690 2.970 19998 1610 1 9 . 1 1 14 14 ASN HA H 14 4.638 4.638 4.878 -0.240 19998 1611 1 9 . 1 1 14 14 ASN C C 14 171.412 171.412 173.395 -1.983 19998 1612 1 9 . 1 1 14 14 ASN CA C 14 52.806 52.806 51.682 1.124 19998 1613 1 9 . 1 1 14 14 ASN CB C 14 37.810 37.810 39.051 -1.241 19998 1614 1 9 . 1 1 14 14 ASN H H 14 7.613 7.613 7.732 -0.119 19998 1615 1 9 . 1 1 15 15 ASP N N 15 124.062 124.062 121.502 2.560 19998 1616 1 9 . 1 1 15 15 ASP HA H 15 4.110 4.110 4.504 -0.394 19998 1617 1 9 . 1 1 15 15 ASP C C 15 174.918 174.918 175.578 -0.660 19998 1618 1 9 . 1 1 15 15 ASP CA C 15 55.774 55.774 54.777 0.997 19998 1619 1 9 . 1 1 15 15 ASP CB C 15 41.360 41.360 40.757 0.603 19998 1620 1 9 . 1 1 15 15 ASP H H 15 8.695 8.695 8.031 0.664 19998 1621 1 9 . 1 1 16 16 GLN N N 16 127.008 127.008 122.372 4.636 19998 1622 1 9 . 1 1 16 16 GLN HA H 16 4.613 4.613 4.570 0.043 19998 1623 1 9 . 1 1 16 16 GLN C C 16 173.874 173.874 174.359 -0.485 19998 1624 1 9 . 1 1 16 16 GLN CA C 16 54.522 54.522 54.979 -0.457 19998 1625 1 9 . 1 1 16 16 GLN CB C 16 28.327 28.327 29.301 -0.974 19998 1626 1 9 . 1 1 16 16 GLN H H 16 8.041 8.041 8.591 -0.550 19998 1627 1 9 . 1 1 17 17 CYS N N 17 122.234 122.234 118.966 3.268 19998 1628 1 9 . 1 1 17 17 CYS HA H 17 4.983 4.983 4.813 0.170 19998 1629 1 9 . 1 1 17 17 CYS C C 17 173.908 173.908 174.810 -0.902 19998 1630 1 9 . 1 1 17 17 CYS CA C 17 56.486 56.486 57.730 -1.244 19998 1631 1 9 . 1 1 17 17 CYS CB C 17 38.906 38.906 30.525 8.381 19998 1632 1 9 . 1 1 17 17 CYS H H 17 9.314 9.314 8.208 1.106 19998 1633 1 9 . 1 1 18 18 CYS N N 18 118.883 118.883 122.750 -3.867 19998 1634 1 9 . 1 1 18 18 CYS HA H 18 4.608 4.608 4.482 0.126 19998 1635 1 9 . 1 1 18 18 CYS C C 18 172.722 172.722 175.876 -3.154 19998 1636 1 9 . 1 1 18 18 CYS CA C 18 55.521 55.521 59.303 -3.782 19998 1637 1 9 . 1 1 18 18 CYS CB C 18 41.367 41.367 25.891 15.476 19998 1638 1 9 . 1 1 18 18 CYS H H 18 9.192 9.192 8.577 0.615 19998 1639 1 9 . 1 1 19 19 LYS N N 19 131.730 131.730 126.504 5.226 19998 1640 1 9 . 1 1 19 19 LYS HA H 19 4.332 4.332 4.113 0.219 19998 1641 1 9 . 1 1 19 19 LYS C C 19 177.997 177.997 178.756 -0.759 19998 1642 1 9 . 1 1 19 19 LYS CA C 19 58.426 58.426 58.942 -0.516 19998 1643 1 9 . 1 1 19 19 LYS CB C 19 31.319 31.319 32.271 -0.952 19998 1644 1 9 . 1 1 19 19 LYS H H 19 8.890 8.890 8.548 0.342 19998 1645 1 9 . 1 1 20 20 SER N N 20 115.887 115.887 116.117 -0.230 19998 1646 1 9 . 1 1 20 20 SER HA H 20 4.334 4.334 4.279 0.055 19998 1647 1 9 . 1 1 20 20 SER C C 20 172.946 172.946 175.577 -2.631 19998 1648 1 9 . 1 1 20 20 SER CA C 20 60.311 60.311 60.730 -0.419 19998 1649 1 9 . 1 1 20 20 SER CB C 20 62.327 62.327 62.742 -0.415 19998 1650 1 9 . 1 1 20 20 SER H H 20 8.856 8.856 8.559 0.297 19998 1651 1 9 . 1 1 21 21 SER N N 21 116.191 116.191 115.124 1.067 19998 1652 1 9 . 1 1 21 21 SER HA H 21 4.833 4.833 4.623 0.210 19998 1653 1 9 . 1 1 21 21 SER C C 21 170.505 170.505 173.356 -2.851 19998 1654 1 9 . 1 1 21 21 SER CA C 21 57.500 57.500 57.918 -0.418 19998 1655 1 9 . 1 1 21 21 SER CB C 21 63.852 63.852 63.580 0.272 19998 1656 1 9 . 1 1 21 21 SER H H 21 7.068 7.068 7.504 -0.436 19998 1657 1 9 . 1 1 22 22 SER N N 22 111.723 111.723 116.889 -5.166 19998 1658 1 9 . 1 1 22 22 SER HA H 22 4.099 4.099 4.143 -0.044 19998 1659 1 9 . 1 1 22 22 SER C C 22 170.369 170.369 172.904 -2.535 19998 1660 1 9 . 1 1 22 22 SER CA C 22 59.140 59.140 59.684 -0.545 19998 1661 1 9 . 1 1 22 22 SER CB C 22 61.339 61.339 61.755 -0.416 19998 1662 1 9 . 1 1 22 22 SER H H 22 8.113 8.113 8.204 -0.091 19998 1663 1 9 . 1 1 23 23 LEU N N 23 115.988 115.988 119.876 -3.888 19998 1664 1 9 . 1 1 23 23 LEU HA H 23 4.898 4.898 4.920 -0.022 19998 1665 1 9 . 1 1 23 23 LEU C C 23 173.712 173.712 175.267 -1.555 19998 1666 1 9 . 1 1 23 23 LEU CA C 23 53.083 53.083 53.418 -0.335 19998 1667 1 9 . 1 1 23 23 LEU CB C 23 46.062 46.062 45.135 0.927 19998 1668 1 9 . 1 1 23 23 LEU H H 23 7.111 7.111 7.625 -0.514 19998 1669 1 9 . 1 1 24 24 ALA N N 24 119.898 119.898 120.657 -0.759 19998 1670 1 9 . 1 1 24 24 ALA HA H 24 4.466 4.466 4.641 -0.175 19998 1671 1 9 . 1 1 24 24 ALA C C 24 173.491 173.491 174.679 -1.188 19998 1672 1 9 . 1 1 24 24 ALA CA C 24 51.167 51.167 51.748 -0.581 19998 1673 1 9 . 1 1 24 24 ALA CB C 24 23.237 23.237 21.669 1.568 19998 1674 1 9 . 1 1 24 24 ALA H H 24 8.904 8.904 7.751 1.153 19998 1675 1 9 . 1 1 25 25 CYS N N 25 122.945 122.945 121.202 1.743 19998 1676 1 9 . 1 1 25 25 CYS HA H 25 4.452 4.452 4.981 -0.529 19998 1677 1 9 . 1 1 25 25 CYS C C 25 171.574 171.574 175.186 -3.612 19998 1678 1 9 . 1 1 25 25 CYS CA C 25 56.132 56.132 57.629 -1.497 19998 1679 1 9 . 1 1 25 25 CYS CB C 25 39.179 39.179 26.615 12.564 19998 1680 1 9 . 1 1 25 25 CYS H H 25 9.847 9.847 8.670 1.177 19998 1681 1 9 . 1 1 26 26 SER N N 26 122.285 122.285 123.926 -1.641 19998 1682 1 9 . 1 1 26 26 SER HA H 26 4.543 4.543 4.734 -0.191 19998 1683 1 9 . 1 1 26 26 SER CA C 26 57.773 57.773 56.972 0.801 19998 1684 1 9 . 1 1 26 26 SER CB C 26 63.789 63.789 65.837 -2.048 19998 1685 1 9 . 1 1 26 26 SER H H 26 7.791 7.791 8.392 -0.601 19998 1686 1 9 . 1 1 27 27 THR N N 27 122.390 122.390 121.602 0.788 19998 1687 1 9 . 1 1 27 27 THR HA H 27 3.778 3.778 4.273 -0.495 19998 1688 1 9 . 1 1 27 27 THR C C 27 172.781 172.781 175.047 -2.266 19998 1689 1 9 . 1 1 27 27 THR CA C 27 65.390 65.390 64.002 1.387 19998 1690 1 9 . 1 1 27 27 THR CB C 27 68.458 68.458 68.512 -0.054 19998 1691 1 9 . 1 1 27 27 THR H H 27 8.874 8.874 8.606 0.268 19998 1692 1 9 . 1 1 28 28 LYS N N 28 118.883 118.883 121.748 -2.865 19998 1693 1 9 . 1 1 28 28 LYS HA H 28 4.031 4.031 4.158 -0.127 19998 1694 1 9 . 1 1 28 28 LYS C C 28 174.613 174.613 176.836 -2.223 19998 1695 1 9 . 1 1 28 28 LYS CA C 28 57.799 57.799 58.288 -0.488 19998 1696 1 9 . 1 1 28 28 LYS CB C 28 33.164 33.164 32.231 0.933 19998 1697 1 9 . 1 1 28 28 LYS H H 28 7.609 7.609 7.954 -0.345 19998 1698 1 9 . 1 1 29 29 HIS N N 29 113.398 113.398 114.984 -1.586 19998 1699 1 9 . 1 1 29 29 HIS HA H 29 4.284 4.284 4.597 -0.313 19998 1700 1 9 . 1 1 29 29 HIS CA C 29 55.586 55.586 55.516 0.070 19998 1701 1 9 . 1 1 29 29 HIS CB C 29 29.062 29.062 30.745 -1.683 19998 1702 1 9 . 1 1 29 29 HIS H H 29 7.450 7.450 8.001 -0.551 19998 1703 1 9 . 1 1 30 30 LYS N N 30 116.344 116.344 118.823 -2.479 19998 1704 1 9 . 1 1 30 30 LYS HA H 30 3.888 3.888 4.210 -0.322 19998 1705 1 9 . 1 1 30 30 LYS CA C 30 57.500 57.500 57.316 0.184 19998 1706 1 9 . 1 1 30 30 LYS CB C 30 29.609 29.609 30.679 -1.070 19998 1707 1 9 . 1 1 30 30 LYS H H 30 8.261 8.261 8.408 -0.147 19998 1708 1 9 . 1 1 31 31 TRP N N 31 117.766 117.766 114.874 2.892 19998 1709 1 9 . 1 1 31 31 TRP HA H 31 5.477 5.477 5.022 0.455 19998 1710 1 9 . 1 1 31 31 TRP C C 31 174.754 174.754 174.409 0.345 19998 1711 1 9 . 1 1 31 31 TRP CA C 31 55.756 55.756 54.220 1.536 19998 1712 1 9 . 1 1 31 31 TRP CB C 31 30.976 30.976 29.802 1.174 19998 1713 1 9 . 1 1 31 31 TRP H H 31 8.483 8.483 7.731 0.752 19998 1714 1 9 . 1 1 32 32 CYS N N 32 118.984 118.984 123.055 -4.071 19998 1715 1 9 . 1 1 32 32 CYS HA H 32 4.747 4.747 4.310 0.437 19998 1716 1 9 . 1 1 32 32 CYS C C 32 171.472 171.472 174.751 -3.279 19998 1717 1 9 . 1 1 32 32 CYS CA C 32 54.733 54.733 59.177 -4.444 19998 1718 1 9 . 1 1 32 32 CYS CB C 32 39.524 39.524 24.549 14.975 19998 1719 1 9 . 1 1 32 32 CYS H H 32 8.474 8.474 8.415 0.059 19998 1720 1 9 . 1 1 33 33 LYS N N 33 124.672 124.672 123.842 0.830 19998 1721 1 9 . 1 1 33 33 LYS HA H 33 4.717 4.717 4.112 0.605 19998 1722 1 9 . 1 1 33 33 LYS C C 33 172.236 172.236 175.471 -3.235 19998 1723 1 9 . 1 1 33 33 LYS CA C 33 54.730 54.730 54.139 0.591 19998 1724 1 9 . 1 1 33 33 LYS CB C 33 35.429 35.429 33.864 1.565 19998 1725 1 9 . 1 1 33 33 LYS H H 33 9.027 9.027 8.346 0.681 19998 1726 1 9 . 1 1 34 34 TYR N N 34 120.102 120.102 122.562 -2.460 19998 1727 1 9 . 1 1 34 34 TYR HA H 34 4.878 4.878 4.603 0.275 19998 1728 1 9 . 1 1 34 34 TYR C C 34 174.034 174.034 176.765 -2.731 19998 1729 1 9 . 1 1 34 34 TYR CA C 34 59.262 59.262 58.991 0.271 19998 1730 1 9 . 1 1 34 34 TYR CB C 34 38.633 38.633 38.124 0.509 19998 1731 1 9 . 1 1 34 34 TYR H H 34 8.092 8.092 8.710 -0.618 19998 1732 1 9 . 1 1 35 35 GLU N N 35 124.362 124.362 125.374 -1.012 19998 1733 1 9 . 1 1 35 35 GLU HA H 35 4.462 4.462 4.607 -0.145 19998 1734 1 9 . 1 1 35 35 GLU C C 35 172.127 172.127 174.939 -2.812 19998 1735 1 9 . 1 1 35 35 GLU CA C 35 56.267 56.267 56.051 0.216 19998 1736 1 9 . 1 1 35 35 GLU CB C 35 30.852 30.852 30.139 0.713 19998 1737 1 9 . 1 1 35 35 GLU H H 35 8.754 8.754 8.663 0.091 19998 1738 1 10 . 1 1 2 2 ALA N N 2 123.910 123.910 126.275 -2.365 19998 1739 1 10 . 1 1 2 2 ALA HA H 2 4.464 4.464 4.804 -0.340 19998 1740 1 10 . 1 1 2 2 ALA C C 2 174.673 174.673 176.461 -1.788 19998 1741 1 10 . 1 1 2 2 ALA CA C 2 52.168 52.168 51.998 0.169 19998 1742 1 10 . 1 1 2 2 ALA CB C 2 19.690 19.690 19.015 0.675 19998 1743 1 10 . 1 1 2 2 ALA H H 2 8.561 8.561 8.416 0.145 19998 1744 1 10 . 1 1 3 3 CYS N N 3 117.207 117.207 119.334 -2.127 19998 1745 1 10 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.719 0.246 19998 1746 1 10 . 1 1 3 3 CYS C C 3 170.808 170.808 172.886 -2.078 19998 1747 1 10 . 1 1 3 3 CYS CA C 3 54.754 54.754 56.969 -2.215 19998 1748 1 10 . 1 1 3 3 CYS CB C 3 44.067 44.067 29.597 14.470 19998 1749 1 10 . 1 1 3 3 CYS H H 3 8.335 8.335 8.258 0.077 19998 1750 1 10 . 1 1 4 4 LEU N N 4 121.828 121.828 122.634 -0.806 19998 1751 1 10 . 1 1 4 4 LEU HA H 4 4.345 4.345 4.610 -0.265 19998 1752 1 10 . 1 1 4 4 LEU C C 4 172.234 172.234 177.092 -4.858 19998 1753 1 10 . 1 1 4 4 LEU CA C 4 54.223 54.223 54.044 0.179 19998 1754 1 10 . 1 1 4 4 LEU CB C 4 44.578 44.578 43.978 0.600 19998 1755 1 10 . 1 1 4 4 LEU H H 4 8.815 8.815 8.377 0.438 19998 1756 1 10 . 1 1 5 5 GLY N N 5 107.508 107.508 110.087 -2.579 19998 1757 1 10 . 1 1 5 5 GLY C C 5 169.768 169.768 173.383 -3.615 19998 1758 1 10 . 1 1 5 5 GLY CA C 5 43.052 43.052 43.800 -0.748 19998 1759 1 10 . 1 1 5 5 GLY H H 5 7.999 7.999 8.332 -0.333 19998 1760 1 10 . 1 1 6 6 PHE N N 6 116.953 116.953 120.266 -3.313 19998 1761 1 10 . 1 1 6 6 PHE HA H 6 3.619 3.619 4.031 -0.412 19998 1762 1 10 . 1 1 6 6 PHE C C 6 174.967 174.967 176.720 -1.753 19998 1763 1 10 . 1 1 6 6 PHE CA C 6 60.101 60.101 58.549 1.552 19998 1764 1 10 . 1 1 6 6 PHE CB C 6 39.506 39.506 39.308 0.198 19998 1765 1 10 . 1 1 6 6 PHE H H 6 8.392 8.392 8.433 -0.041 19998 1766 1 10 . 1 1 7 7 GLY N N 7 115.074 115.074 115.134 -0.060 19998 1767 1 10 . 1 1 7 7 GLY C C 7 171.017 171.017 173.844 -2.827 19998 1768 1 10 . 1 1 7 7 GLY CA C 7 44.844 44.844 44.837 0.007 19998 1769 1 10 . 1 1 7 7 GLY H H 7 8.645 8.645 7.410 1.235 19998 1770 1 10 . 1 1 8 8 LYS N N 8 120.051 120.051 120.855 -0.804 19998 1771 1 10 . 1 1 8 8 LYS HA H 8 4.313 4.313 4.650 -0.337 19998 1772 1 10 . 1 1 8 8 LYS C C 8 173.878 173.878 175.909 -2.031 19998 1773 1 10 . 1 1 8 8 LYS CA C 8 54.570 54.570 54.169 0.401 19998 1774 1 10 . 1 1 8 8 LYS CB C 8 32.391 32.391 34.325 -1.934 19998 1775 1 10 . 1 1 8 8 LYS H H 8 7.429 7.429 7.388 0.041 19998 1776 1 10 . 1 1 9 9 SER N N 9 117.004 117.004 116.132 0.872 19998 1777 1 10 . 1 1 9 9 SER HA H 9 4.315 4.315 4.712 -0.397 19998 1778 1 10 . 1 1 9 9 SER C C 9 170.486 170.486 174.585 -4.099 19998 1779 1 10 . 1 1 9 9 SER CB C 9 63.355 63.355 62.581 0.774 19998 1780 1 10 . 1 1 9 9 SER H H 9 8.542 8.542 8.459 0.083 19998 1781 1 10 . 1 1 10 10 CYS N N 10 119.238 119.238 120.892 -1.654 19998 1782 1 10 . 1 1 10 10 CYS HA H 10 4.833 4.833 4.711 0.122 19998 1783 1 10 . 1 1 10 10 CYS C C 10 168.106 168.106 173.264 -5.158 19998 1784 1 10 . 1 1 10 10 CYS CA C 10 53.907 53.907 56.181 -2.275 19998 1785 1 10 . 1 1 10 10 CYS CB C 10 45.841 45.841 30.253 15.588 19998 1786 1 10 . 1 1 10 10 CYS H H 10 8.188 8.188 8.227 -0.039 19998 1787 1 10 . 1 1 11 11 ASN N N 11 119.594 119.594 118.992 0.602 19998 1788 1 10 . 1 1 11 11 ASN HA H 11 5.124 5.124 5.196 -0.072 19998 1789 1 10 . 1 1 11 11 ASN CA C 11 48.476 48.476 49.738 -1.262 19998 1790 1 10 . 1 1 11 11 ASN CB C 11 40.000 40.000 40.997 -0.997 19998 1791 1 10 . 1 1 11 11 ASN H H 11 9.129 9.129 8.617 0.512 19998 1792 1 10 . 1 1 12 12 PRO HA H 12 3.848 3.848 4.440 -0.592 19998 1793 1 10 . 1 1 12 12 PRO C C 12 174.197 174.197 178.476 -4.279 19998 1794 1 10 . 1 1 12 12 PRO CA C 12 64.689 64.689 64.856 -0.167 19998 1795 1 10 . 1 1 12 12 PRO CB C 12 31.883 31.883 32.196 -0.313 19998 1796 1 10 . 1 1 13 13 SER N N 13 110.351 110.351 113.107 -2.756 19998 1797 1 10 . 1 1 13 13 SER HA H 13 4.394 4.394 4.265 0.129 19998 1798 1 10 . 1 1 13 13 SER C C 13 170.980 170.980 174.153 -3.173 19998 1799 1 10 . 1 1 13 13 SER CA C 13 59.326 59.326 59.636 -0.310 19998 1800 1 10 . 1 1 13 13 SER CB C 13 63.380 63.380 62.990 0.390 19998 1801 1 10 . 1 1 13 13 SER H H 13 7.785 7.785 8.454 -0.669 19998 1802 1 10 . 1 1 14 14 ASN N N 14 120.660 120.660 118.481 2.179 19998 1803 1 10 . 1 1 14 14 ASN HA H 14 4.638 4.638 4.902 -0.264 19998 1804 1 10 . 1 1 14 14 ASN C C 14 171.412 171.412 173.384 -1.972 19998 1805 1 10 . 1 1 14 14 ASN CA C 14 52.806 52.806 51.679 1.127 19998 1806 1 10 . 1 1 14 14 ASN CB C 14 37.810 37.810 39.584 -1.774 19998 1807 1 10 . 1 1 14 14 ASN H H 14 7.613 7.613 7.807 -0.194 19998 1808 1 10 . 1 1 15 15 ASP N N 15 124.062 124.062 121.589 2.473 19998 1809 1 10 . 1 1 15 15 ASP HA H 15 4.110 4.110 4.512 -0.402 19998 1810 1 10 . 1 1 15 15 ASP C C 15 174.918 174.918 175.705 -0.787 19998 1811 1 10 . 1 1 15 15 ASP CA C 15 55.774 55.774 54.797 0.977 19998 1812 1 10 . 1 1 15 15 ASP CB C 15 41.360 41.360 40.671 0.689 19998 1813 1 10 . 1 1 15 15 ASP H H 15 8.695 8.695 7.997 0.698 19998 1814 1 10 . 1 1 16 16 GLN N N 16 127.008 127.008 122.910 4.098 19998 1815 1 10 . 1 1 16 16 GLN HA H 16 4.613 4.613 4.568 0.045 19998 1816 1 10 . 1 1 16 16 GLN C C 16 173.874 173.874 174.431 -0.557 19998 1817 1 10 . 1 1 16 16 GLN CA C 16 54.522 54.522 55.103 -0.581 19998 1818 1 10 . 1 1 16 16 GLN CB C 16 28.327 28.327 29.572 -1.245 19998 1819 1 10 . 1 1 16 16 GLN H H 16 8.041 8.041 8.645 -0.604 19998 1820 1 10 . 1 1 17 17 CYS N N 17 122.234 122.234 119.025 3.209 19998 1821 1 10 . 1 1 17 17 CYS HA H 17 4.983 4.983 4.808 0.175 19998 1822 1 10 . 1 1 17 17 CYS C C 17 173.908 173.908 174.792 -0.884 19998 1823 1 10 . 1 1 17 17 CYS CA C 17 56.486 56.486 57.724 -1.238 19998 1824 1 10 . 1 1 17 17 CYS CB C 17 38.906 38.906 30.462 8.444 19998 1825 1 10 . 1 1 17 17 CYS H H 17 9.314 9.314 8.154 1.160 19998 1826 1 10 . 1 1 18 18 CYS N N 18 118.883 118.883 122.521 -3.638 19998 1827 1 10 . 1 1 18 18 CYS HA H 18 4.608 4.608 4.528 0.080 19998 1828 1 10 . 1 1 18 18 CYS C C 18 172.722 172.722 175.984 -3.262 19998 1829 1 10 . 1 1 18 18 CYS CA C 18 55.521 55.521 59.138 -3.617 19998 1830 1 10 . 1 1 18 18 CYS CB C 18 41.367 41.367 26.282 15.085 19998 1831 1 10 . 1 1 18 18 CYS H H 18 9.192 9.192 8.593 0.599 19998 1832 1 10 . 1 1 19 19 LYS N N 19 131.730 131.730 126.924 4.806 19998 1833 1 10 . 1 1 19 19 LYS HA H 19 4.332 4.332 4.124 0.208 19998 1834 1 10 . 1 1 19 19 LYS C C 19 177.997 177.997 178.863 -0.866 19998 1835 1 10 . 1 1 19 19 LYS CA C 19 58.426 58.426 58.825 -0.399 19998 1836 1 10 . 1 1 19 19 LYS CB C 19 31.319 31.319 32.238 -0.919 19998 1837 1 10 . 1 1 19 19 LYS H H 19 8.890 8.890 8.587 0.303 19998 1838 1 10 . 1 1 20 20 SER N N 20 115.887 115.887 115.034 0.853 19998 1839 1 10 . 1 1 20 20 SER HA H 20 4.334 4.334 4.282 0.052 19998 1840 1 10 . 1 1 20 20 SER C C 20 172.946 172.946 175.719 -2.773 19998 1841 1 10 . 1 1 20 20 SER CA C 20 60.311 60.311 60.818 -0.507 19998 1842 1 10 . 1 1 20 20 SER CB C 20 62.327 62.327 62.558 -0.231 19998 1843 1 10 . 1 1 20 20 SER H H 20 8.856 8.856 8.480 0.376 19998 1844 1 10 . 1 1 21 21 SER N N 21 116.191 116.191 116.094 0.097 19998 1845 1 10 . 1 1 21 21 SER HA H 21 4.833 4.833 4.585 0.248 19998 1846 1 10 . 1 1 21 21 SER C C 21 170.505 170.505 173.287 -2.782 19998 1847 1 10 . 1 1 21 21 SER CA C 21 57.500 57.500 57.880 -0.380 19998 1848 1 10 . 1 1 21 21 SER CB C 21 63.852 63.852 63.455 0.397 19998 1849 1 10 . 1 1 21 21 SER H H 21 7.068 7.068 7.634 -0.566 19998 1850 1 10 . 1 1 22 22 SER N N 22 111.723 111.723 117.157 -5.434 19998 1851 1 10 . 1 1 22 22 SER HA H 22 4.099 4.099 4.118 -0.019 19998 1852 1 10 . 1 1 22 22 SER C C 22 170.369 170.369 172.841 -2.472 19998 1853 1 10 . 1 1 22 22 SER CA C 22 59.140 59.140 59.369 -0.229 19998 1854 1 10 . 1 1 22 22 SER CB C 22 61.339 61.339 61.990 -0.651 19998 1855 1 10 . 1 1 22 22 SER H H 22 8.113 8.113 8.078 0.035 19998 1856 1 10 . 1 1 23 23 LEU N N 23 115.988 115.988 120.151 -4.163 19998 1857 1 10 . 1 1 23 23 LEU HA H 23 4.898 4.898 4.929 -0.031 19998 1858 1 10 . 1 1 23 23 LEU C C 23 173.712 173.712 175.209 -1.497 19998 1859 1 10 . 1 1 23 23 LEU CA C 23 53.083 53.083 53.424 -0.341 19998 1860 1 10 . 1 1 23 23 LEU CB C 23 46.062 46.062 45.536 0.526 19998 1861 1 10 . 1 1 23 23 LEU H H 23 7.111 7.111 7.651 -0.540 19998 1862 1 10 . 1 1 24 24 ALA N N 24 119.898 119.898 120.665 -0.767 19998 1863 1 10 . 1 1 24 24 ALA HA H 24 4.466 4.466 4.661 -0.195 19998 1864 1 10 . 1 1 24 24 ALA C C 24 173.491 173.491 174.732 -1.241 19998 1865 1 10 . 1 1 24 24 ALA CA C 24 51.167 51.167 51.771 -0.604 19998 1866 1 10 . 1 1 24 24 ALA CB C 24 23.237 23.237 21.737 1.500 19998 1867 1 10 . 1 1 24 24 ALA H H 24 8.904 8.904 7.771 1.133 19998 1868 1 10 . 1 1 25 25 CYS N N 25 122.945 122.945 121.076 1.869 19998 1869 1 10 . 1 1 25 25 CYS HA H 25 4.452 4.452 5.075 -0.623 19998 1870 1 10 . 1 1 25 25 CYS C C 25 171.574 171.574 174.995 -3.421 19998 1871 1 10 . 1 1 25 25 CYS CA C 25 56.132 56.132 58.134 -2.002 19998 1872 1 10 . 1 1 25 25 CYS CB C 25 39.179 39.179 26.775 12.404 19998 1873 1 10 . 1 1 25 25 CYS H H 25 9.847 9.847 8.649 1.198 19998 1874 1 10 . 1 1 26 26 SER N N 26 122.285 122.285 122.922 -0.637 19998 1875 1 10 . 1 1 26 26 SER HA H 26 4.543 4.543 4.701 -0.158 19998 1876 1 10 . 1 1 26 26 SER CA C 26 57.773 57.773 57.249 0.524 19998 1877 1 10 . 1 1 26 26 SER CB C 26 63.789 63.789 65.949 -2.160 19998 1878 1 10 . 1 1 26 26 SER H H 26 7.791 7.791 8.419 -0.628 19998 1879 1 10 . 1 1 27 27 THR N N 27 122.390 122.390 121.113 1.277 19998 1880 1 10 . 1 1 27 27 THR HA H 27 3.778 3.778 4.275 -0.497 19998 1881 1 10 . 1 1 27 27 THR C C 27 172.781 172.781 175.111 -2.330 19998 1882 1 10 . 1 1 27 27 THR CA C 27 65.390 65.390 64.333 1.057 19998 1883 1 10 . 1 1 27 27 THR CB C 27 68.458 68.458 68.600 -0.142 19998 1884 1 10 . 1 1 27 27 THR H H 27 8.874 8.874 8.677 0.197 19998 1885 1 10 . 1 1 28 28 LYS N N 28 118.883 118.883 120.744 -1.861 19998 1886 1 10 . 1 1 28 28 LYS HA H 28 4.031 4.031 4.177 -0.146 19998 1887 1 10 . 1 1 28 28 LYS C C 28 174.613 174.613 176.890 -2.277 19998 1888 1 10 . 1 1 28 28 LYS CA C 28 57.799 57.799 58.575 -0.776 19998 1889 1 10 . 1 1 28 28 LYS CB C 28 33.164 33.164 32.459 0.705 19998 1890 1 10 . 1 1 28 28 LYS H H 28 7.609 7.609 7.994 -0.385 19998 1891 1 10 . 1 1 29 29 HIS N N 29 113.398 113.398 114.952 -1.554 19998 1892 1 10 . 1 1 29 29 HIS HA H 29 4.284 4.284 4.623 -0.339 19998 1893 1 10 . 1 1 29 29 HIS CA C 29 55.586 55.586 55.415 0.171 19998 1894 1 10 . 1 1 29 29 HIS CB C 29 29.062 29.062 30.580 -1.518 19998 1895 1 10 . 1 1 29 29 HIS H H 29 7.450 7.450 7.996 -0.546 19998 1896 1 10 . 1 1 30 30 LYS N N 30 116.344 116.344 119.003 -2.659 19998 1897 1 10 . 1 1 30 30 LYS HA H 30 3.888 3.888 4.220 -0.332 19998 1898 1 10 . 1 1 30 30 LYS CA C 30 57.500 57.500 57.338 0.162 19998 1899 1 10 . 1 1 30 30 LYS CB C 30 29.609 29.609 30.679 -1.070 19998 1900 1 10 . 1 1 30 30 LYS H H 30 8.261 8.261 8.426 -0.165 19998 1901 1 10 . 1 1 31 31 TRP N N 31 117.766 117.766 114.856 2.910 19998 1902 1 10 . 1 1 31 31 TRP HA H 31 5.477 5.477 5.022 0.455 19998 1903 1 10 . 1 1 31 31 TRP C C 31 174.754 174.754 174.414 0.340 19998 1904 1 10 . 1 1 31 31 TRP CA C 31 55.756 55.756 54.197 1.558 19998 1905 1 10 . 1 1 31 31 TRP CB C 31 30.976 30.976 29.780 1.196 19998 1906 1 10 . 1 1 31 31 TRP H H 31 8.483 8.483 7.723 0.760 19998 1907 1 10 . 1 1 32 32 CYS N N 32 118.984 118.984 123.043 -4.059 19998 1908 1 10 . 1 1 32 32 CYS HA H 32 4.747 4.747 4.308 0.439 19998 1909 1 10 . 1 1 32 32 CYS C C 32 171.472 171.472 174.761 -3.289 19998 1910 1 10 . 1 1 32 32 CYS CA C 32 54.733 54.733 59.202 -4.469 19998 1911 1 10 . 1 1 32 32 CYS CB C 32 39.524 39.524 24.553 14.971 19998 1912 1 10 . 1 1 32 32 CYS H H 32 8.474 8.474 8.430 0.044 19998 1913 1 10 . 1 1 33 33 LYS N N 33 124.672 124.672 123.869 0.803 19998 1914 1 10 . 1 1 33 33 LYS HA H 33 4.717 4.717 4.122 0.595 19998 1915 1 10 . 1 1 33 33 LYS C C 33 172.236 172.236 175.472 -3.236 19998 1916 1 10 . 1 1 33 33 LYS CA C 33 54.730 54.730 54.130 0.600 19998 1917 1 10 . 1 1 33 33 LYS CB C 33 35.429 35.429 33.868 1.561 19998 1918 1 10 . 1 1 33 33 LYS H H 33 9.027 9.027 8.413 0.614 19998 1919 1 10 . 1 1 34 34 TYR N N 34 120.102 120.102 123.002 -2.900 19998 1920 1 10 . 1 1 34 34 TYR HA H 34 4.878 4.878 4.600 0.278 19998 1921 1 10 . 1 1 34 34 TYR C C 34 174.034 174.034 176.726 -2.692 19998 1922 1 10 . 1 1 34 34 TYR CA C 34 59.262 59.262 59.107 0.155 19998 1923 1 10 . 1 1 34 34 TYR CB C 34 38.633 38.633 38.017 0.616 19998 1924 1 10 . 1 1 34 34 TYR H H 34 8.092 8.092 8.751 -0.659 19998 1925 1 10 . 1 1 35 35 GLU N N 35 124.362 124.362 126.064 -1.702 19998 1926 1 10 . 1 1 35 35 GLU HA H 35 4.462 4.462 4.557 -0.095 19998 1927 1 10 . 1 1 35 35 GLU C C 35 172.127 172.127 175.381 -3.254 19998 1928 1 10 . 1 1 35 35 GLU CA C 35 56.267 56.267 55.500 0.767 19998 1929 1 10 . 1 1 35 35 GLU CB C 35 30.852 30.852 30.546 0.306 19998 1930 1 10 . 1 1 35 35 GLU H H 35 8.754 8.754 8.676 0.078 19998 1931 1 11 . 1 1 2 2 ALA N N 2 123.910 123.910 125.425 -1.515 19998 1932 1 11 . 1 1 2 2 ALA HA H 2 4.464 4.464 4.928 -0.464 19998 1933 1 11 . 1 1 2 2 ALA C C 2 174.673 174.673 176.539 -1.866 19998 1934 1 11 . 1 1 2 2 ALA CA C 2 52.168 52.168 52.279 -0.111 19998 1935 1 11 . 1 1 2 2 ALA CB C 2 19.690 19.690 19.059 0.631 19998 1936 1 11 . 1 1 2 2 ALA H H 2 8.561 8.561 8.122 0.439 19998 1937 1 11 . 1 1 3 3 CYS N N 3 117.207 117.207 118.543 -1.336 19998 1938 1 11 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.641 0.324 19998 1939 1 11 . 1 1 3 3 CYS C C 3 170.808 170.808 172.496 -1.688 19998 1940 1 11 . 1 1 3 3 CYS CA C 3 54.754 54.754 57.462 -2.708 19998 1941 1 11 . 1 1 3 3 CYS CB C 3 44.067 44.067 28.800 15.267 19998 1942 1 11 . 1 1 3 3 CYS H H 3 8.335 8.335 8.279 0.056 19998 1943 1 11 . 1 1 4 4 LEU N N 4 121.828 121.828 122.933 -1.105 19998 1944 1 11 . 1 1 4 4 LEU HA H 4 4.345 4.345 4.614 -0.269 19998 1945 1 11 . 1 1 4 4 LEU C C 4 172.234 172.234 177.245 -5.011 19998 1946 1 11 . 1 1 4 4 LEU CA C 4 54.223 54.223 54.058 0.165 19998 1947 1 11 . 1 1 4 4 LEU CB C 4 44.578 44.578 43.637 0.941 19998 1948 1 11 . 1 1 4 4 LEU H H 4 8.815 8.815 8.414 0.401 19998 1949 1 11 . 1 1 5 5 GLY N N 5 107.508 107.508 110.483 -2.975 19998 1950 1 11 . 1 1 5 5 GLY C C 5 169.768 169.768 173.436 -3.668 19998 1951 1 11 . 1 1 5 5 GLY CA C 5 43.052 43.052 44.014 -0.962 19998 1952 1 11 . 1 1 5 5 GLY H H 5 7.999 7.999 8.311 -0.312 19998 1953 1 11 . 1 1 6 6 PHE N N 6 116.953 116.953 120.486 -3.533 19998 1954 1 11 . 1 1 6 6 PHE HA H 6 3.619 3.619 3.951 -0.332 19998 1955 1 11 . 1 1 6 6 PHE C C 6 174.967 174.967 177.362 -2.395 19998 1956 1 11 . 1 1 6 6 PHE CA C 6 60.101 60.101 58.561 1.540 19998 1957 1 11 . 1 1 6 6 PHE CB C 6 39.506 39.506 39.013 0.493 19998 1958 1 11 . 1 1 6 6 PHE H H 6 8.392 8.392 8.244 0.148 19998 1959 1 11 . 1 1 7 7 GLY N N 7 115.074 115.074 114.603 0.471 19998 1960 1 11 . 1 1 7 7 GLY C C 7 171.017 171.017 173.476 -2.459 19998 1961 1 11 . 1 1 7 7 GLY CA C 7 44.844 44.844 44.711 0.133 19998 1962 1 11 . 1 1 7 7 GLY H H 7 8.645 8.645 7.570 1.075 19998 1963 1 11 . 1 1 8 8 LYS N N 8 120.051 120.051 120.786 -0.735 19998 1964 1 11 . 1 1 8 8 LYS HA H 8 4.313 4.313 4.654 -0.341 19998 1965 1 11 . 1 1 8 8 LYS C C 8 173.878 173.878 175.870 -1.992 19998 1966 1 11 . 1 1 8 8 LYS CA C 8 54.570 54.570 54.112 0.458 19998 1967 1 11 . 1 1 8 8 LYS CB C 8 32.391 32.391 34.325 -1.934 19998 1968 1 11 . 1 1 8 8 LYS H H 8 7.429 7.429 7.391 0.038 19998 1969 1 11 . 1 1 9 9 SER N N 9 117.004 117.004 116.046 0.958 19998 1970 1 11 . 1 1 9 9 SER HA H 9 4.315 4.315 4.708 -0.393 19998 1971 1 11 . 1 1 9 9 SER C C 9 170.486 170.486 174.588 -4.102 19998 1972 1 11 . 1 1 9 9 SER CB C 9 63.355 63.355 62.432 0.923 19998 1973 1 11 . 1 1 9 9 SER H H 9 8.542 8.542 8.456 0.086 19998 1974 1 11 . 1 1 10 10 CYS N N 10 119.238 119.238 121.164 -1.926 19998 1975 1 11 . 1 1 10 10 CYS HA H 10 4.833 4.833 4.728 0.105 19998 1976 1 11 . 1 1 10 10 CYS C C 10 168.106 168.106 173.744 -5.638 19998 1977 1 11 . 1 1 10 10 CYS CA C 10 53.907 53.907 56.134 -2.227 19998 1978 1 11 . 1 1 10 10 CYS CB C 10 45.841 45.841 30.413 15.428 19998 1979 1 11 . 1 1 10 10 CYS H H 10 8.188 8.188 8.401 -0.213 19998 1980 1 11 . 1 1 11 11 ASN N N 11 119.594 119.594 119.012 0.582 19998 1981 1 11 . 1 1 11 11 ASN HA H 11 5.124 5.124 5.206 -0.082 19998 1982 1 11 . 1 1 11 11 ASN CA C 11 48.476 48.476 49.518 -1.042 19998 1983 1 11 . 1 1 11 11 ASN CB C 11 40.000 40.000 40.249 -0.249 19998 1984 1 11 . 1 1 11 11 ASN H H 11 9.129 9.129 8.625 0.504 19998 1985 1 11 . 1 1 12 12 PRO HA H 12 3.848 3.848 4.429 -0.581 19998 1986 1 11 . 1 1 12 12 PRO C C 12 174.197 174.197 178.050 -3.853 19998 1987 1 11 . 1 1 12 12 PRO CA C 12 64.689 64.689 64.681 0.008 19998 1988 1 11 . 1 1 12 12 PRO CB C 12 31.883 31.883 32.125 -0.242 19998 1989 1 11 . 1 1 13 13 SER N N 13 110.351 110.351 112.548 -2.197 19998 1990 1 11 . 1 1 13 13 SER HA H 13 4.394 4.394 4.260 0.134 19998 1991 1 11 . 1 1 13 13 SER C C 13 170.980 170.980 174.148 -3.168 19998 1992 1 11 . 1 1 13 13 SER CA C 13 59.326 59.326 60.218 -0.892 19998 1993 1 11 . 1 1 13 13 SER CB C 13 63.380 63.380 62.944 0.436 19998 1994 1 11 . 1 1 13 13 SER H H 13 7.785 7.785 8.430 -0.645 19998 1995 1 11 . 1 1 14 14 ASN N N 14 120.660 120.660 118.809 1.851 19998 1996 1 11 . 1 1 14 14 ASN HA H 14 4.638 4.638 4.864 -0.226 19998 1997 1 11 . 1 1 14 14 ASN C C 14 171.412 171.412 173.426 -2.014 19998 1998 1 11 . 1 1 14 14 ASN CA C 14 52.806 52.806 52.111 0.695 19998 1999 1 11 . 1 1 14 14 ASN CB C 14 37.810 37.810 39.381 -1.571 19998 2000 1 11 . 1 1 14 14 ASN H H 14 7.613 7.613 7.637 -0.024 19998 2001 1 11 . 1 1 15 15 ASP N N 15 124.062 124.062 122.399 1.663 19998 2002 1 11 . 1 1 15 15 ASP HA H 15 4.110 4.110 4.553 -0.443 19998 2003 1 11 . 1 1 15 15 ASP C C 15 174.918 174.918 175.786 -0.868 19998 2004 1 11 . 1 1 15 15 ASP CA C 15 55.774 55.774 55.201 0.573 19998 2005 1 11 . 1 1 15 15 ASP CB C 15 41.360 41.360 41.108 0.252 19998 2006 1 11 . 1 1 15 15 ASP H H 15 8.695 8.695 8.202 0.493 19998 2007 1 11 . 1 1 16 16 GLN N N 16 127.008 127.008 125.090 1.918 19998 2008 1 11 . 1 1 16 16 GLN HA H 16 4.613 4.613 4.486 0.127 19998 2009 1 11 . 1 1 16 16 GLN C C 16 173.874 173.874 174.328 -0.454 19998 2010 1 11 . 1 1 16 16 GLN CA C 16 54.522 54.522 54.999 -0.477 19998 2011 1 11 . 1 1 16 16 GLN CB C 16 28.327 28.327 29.485 -1.159 19998 2012 1 11 . 1 1 16 16 GLN H H 16 8.041 8.041 8.578 -0.537 19998 2013 1 11 . 1 1 17 17 CYS N N 17 122.234 122.234 118.662 3.572 19998 2014 1 11 . 1 1 17 17 CYS HA H 17 4.983 4.983 4.812 0.171 19998 2015 1 11 . 1 1 17 17 CYS C C 17 173.908 173.908 174.822 -0.914 19998 2016 1 11 . 1 1 17 17 CYS CA C 17 56.486 56.486 57.740 -1.254 19998 2017 1 11 . 1 1 17 17 CYS CB C 17 38.906 38.906 30.804 8.102 19998 2018 1 11 . 1 1 17 17 CYS H H 17 9.314 9.314 8.016 1.298 19998 2019 1 11 . 1 1 18 18 CYS N N 18 118.883 118.883 122.601 -3.718 19998 2020 1 11 . 1 1 18 18 CYS HA H 18 4.608 4.608 4.541 0.067 19998 2021 1 11 . 1 1 18 18 CYS C C 18 172.722 172.722 175.988 -3.266 19998 2022 1 11 . 1 1 18 18 CYS CA C 18 55.521 55.521 59.000 -3.479 19998 2023 1 11 . 1 1 18 18 CYS CB C 18 41.367 41.367 26.107 15.260 19998 2024 1 11 . 1 1 18 18 CYS H H 18 9.192 9.192 8.565 0.627 19998 2025 1 11 . 1 1 19 19 LYS N N 19 131.730 131.730 126.892 4.838 19998 2026 1 11 . 1 1 19 19 LYS HA H 19 4.332 4.332 4.081 0.251 19998 2027 1 11 . 1 1 19 19 LYS C C 19 177.997 177.997 178.874 -0.877 19998 2028 1 11 . 1 1 19 19 LYS CA C 19 58.426 58.426 58.756 -0.330 19998 2029 1 11 . 1 1 19 19 LYS CB C 19 31.319 31.319 32.120 -0.801 19998 2030 1 11 . 1 1 19 19 LYS H H 19 8.890 8.890 8.525 0.365 19998 2031 1 11 . 1 1 20 20 SER N N 20 115.887 115.887 114.247 1.640 19998 2032 1 11 . 1 1 20 20 SER HA H 20 4.334 4.334 4.260 0.074 19998 2033 1 11 . 1 1 20 20 SER C C 20 172.946 172.946 175.776 -2.830 19998 2034 1 11 . 1 1 20 20 SER CA C 20 60.311 60.311 60.764 -0.453 19998 2035 1 11 . 1 1 20 20 SER CB C 20 62.327 62.327 62.528 -0.201 19998 2036 1 11 . 1 1 20 20 SER H H 20 8.856 8.856 8.298 0.558 19998 2037 1 11 . 1 1 21 21 SER N N 21 116.191 116.191 115.900 0.291 19998 2038 1 11 . 1 1 21 21 SER HA H 21 4.833 4.833 4.556 0.277 19998 2039 1 11 . 1 1 21 21 SER C C 21 170.505 170.505 173.389 -2.884 19998 2040 1 11 . 1 1 21 21 SER CA C 21 57.500 57.500 57.395 0.105 19998 2041 1 11 . 1 1 21 21 SER CB C 21 63.852 63.852 63.556 0.296 19998 2042 1 11 . 1 1 21 21 SER H H 21 7.068 7.068 7.500 -0.432 19998 2043 1 11 . 1 1 22 22 SER N N 22 111.723 111.723 117.107 -5.384 19998 2044 1 11 . 1 1 22 22 SER HA H 22 4.099 4.099 4.155 -0.056 19998 2045 1 11 . 1 1 22 22 SER C C 22 170.369 170.369 172.925 -2.556 19998 2046 1 11 . 1 1 22 22 SER CA C 22 59.140 59.140 59.609 -0.469 19998 2047 1 11 . 1 1 22 22 SER CB C 22 61.339 61.339 61.765 -0.426 19998 2048 1 11 . 1 1 22 22 SER H H 22 8.113 8.113 8.252 -0.139 19998 2049 1 11 . 1 1 23 23 LEU N N 23 115.988 115.988 120.396 -4.408 19998 2050 1 11 . 1 1 23 23 LEU HA H 23 4.898 4.898 4.917 -0.019 19998 2051 1 11 . 1 1 23 23 LEU C C 23 173.712 173.712 175.348 -1.636 19998 2052 1 11 . 1 1 23 23 LEU CA C 23 53.083 53.083 53.387 -0.304 19998 2053 1 11 . 1 1 23 23 LEU CB C 23 46.062 46.062 45.473 0.589 19998 2054 1 11 . 1 1 23 23 LEU H H 23 7.111 7.111 7.534 -0.423 19998 2055 1 11 . 1 1 24 24 ALA N N 24 119.898 119.898 119.949 -0.051 19998 2056 1 11 . 1 1 24 24 ALA HA H 24 4.466 4.466 4.718 -0.252 19998 2057 1 11 . 1 1 24 24 ALA C C 24 173.491 173.491 174.721 -1.230 19998 2058 1 11 . 1 1 24 24 ALA CA C 24 51.167 51.167 51.481 -0.314 19998 2059 1 11 . 1 1 24 24 ALA CB C 24 23.237 23.237 21.846 1.391 19998 2060 1 11 . 1 1 24 24 ALA H H 24 8.904 8.904 7.856 1.048 19998 2061 1 11 . 1 1 25 25 CYS N N 25 122.945 122.945 121.152 1.793 19998 2062 1 11 . 1 1 25 25 CYS HA H 25 4.452 4.452 5.044 -0.592 19998 2063 1 11 . 1 1 25 25 CYS C C 25 171.574 171.574 174.960 -3.386 19998 2064 1 11 . 1 1 25 25 CYS CA C 25 56.132 56.132 58.379 -2.247 19998 2065 1 11 . 1 1 25 25 CYS CB C 25 39.179 39.179 26.481 12.698 19998 2066 1 11 . 1 1 25 25 CYS H H 25 9.847 9.847 8.505 1.342 19998 2067 1 11 . 1 1 26 26 SER N N 26 122.285 122.285 123.118 -0.833 19998 2068 1 11 . 1 1 26 26 SER HA H 26 4.543 4.543 4.709 -0.166 19998 2069 1 11 . 1 1 26 26 SER CA C 26 57.773 57.773 57.145 0.628 19998 2070 1 11 . 1 1 26 26 SER CB C 26 63.789 63.789 65.942 -2.153 19998 2071 1 11 . 1 1 26 26 SER H H 26 7.791 7.791 8.397 -0.606 19998 2072 1 11 . 1 1 27 27 THR N N 27 122.390 122.390 120.780 1.610 19998 2073 1 11 . 1 1 27 27 THR HA H 27 3.778 3.778 4.293 -0.515 19998 2074 1 11 . 1 1 27 27 THR C C 27 172.781 172.781 175.222 -2.441 19998 2075 1 11 . 1 1 27 27 THR CA C 27 65.390 65.390 63.615 1.775 19998 2076 1 11 . 1 1 27 27 THR CB C 27 68.458 68.458 68.727 -0.269 19998 2077 1 11 . 1 1 27 27 THR H H 27 8.874 8.874 8.683 0.191 19998 2078 1 11 . 1 1 28 28 LYS N N 28 118.883 118.883 120.426 -1.543 19998 2079 1 11 . 1 1 28 28 LYS HA H 28 4.031 4.031 4.227 -0.196 19998 2080 1 11 . 1 1 28 28 LYS C C 28 174.613 174.613 176.970 -2.357 19998 2081 1 11 . 1 1 28 28 LYS CA C 28 57.799 57.799 58.488 -0.689 19998 2082 1 11 . 1 1 28 28 LYS CB C 28 33.164 33.164 32.463 0.701 19998 2083 1 11 . 1 1 28 28 LYS H H 28 7.609 7.609 8.135 -0.526 19998 2084 1 11 . 1 1 29 29 HIS N N 29 113.398 113.398 115.066 -1.668 19998 2085 1 11 . 1 1 29 29 HIS HA H 29 4.284 4.284 4.638 -0.354 19998 2086 1 11 . 1 1 29 29 HIS CA C 29 55.586 55.586 55.505 0.081 19998 2087 1 11 . 1 1 29 29 HIS CB C 29 29.062 29.062 30.765 -1.703 19998 2088 1 11 . 1 1 29 29 HIS H H 29 7.450 7.450 8.082 -0.632 19998 2089 1 11 . 1 1 30 30 LYS N N 30 116.344 116.344 119.087 -2.743 19998 2090 1 11 . 1 1 30 30 LYS HA H 30 3.888 3.888 4.218 -0.330 19998 2091 1 11 . 1 1 30 30 LYS CA C 30 57.500 57.500 57.356 0.144 19998 2092 1 11 . 1 1 30 30 LYS CB C 30 29.609 29.609 30.638 -1.029 19998 2093 1 11 . 1 1 30 30 LYS H H 30 8.261 8.261 8.435 -0.174 19998 2094 1 11 . 1 1 31 31 TRP N N 31 117.766 117.766 114.924 2.842 19998 2095 1 11 . 1 1 31 31 TRP HA H 31 5.477 5.477 5.019 0.458 19998 2096 1 11 . 1 1 31 31 TRP C C 31 174.754 174.754 174.398 0.356 19998 2097 1 11 . 1 1 31 31 TRP CA C 31 55.756 55.756 54.230 1.526 19998 2098 1 11 . 1 1 31 31 TRP CB C 31 30.976 30.976 29.851 1.125 19998 2099 1 11 . 1 1 31 31 TRP H H 31 8.483 8.483 7.761 0.722 19998 2100 1 11 . 1 1 32 32 CYS N N 32 118.984 118.984 122.919 -3.935 19998 2101 1 11 . 1 1 32 32 CYS HA H 32 4.747 4.747 4.332 0.415 19998 2102 1 11 . 1 1 32 32 CYS C C 32 171.472 171.472 174.736 -3.264 19998 2103 1 11 . 1 1 32 32 CYS CA C 32 54.733 54.733 59.179 -4.446 19998 2104 1 11 . 1 1 32 32 CYS CB C 32 39.524 39.524 24.598 14.926 19998 2105 1 11 . 1 1 32 32 CYS H H 32 8.474 8.474 8.420 0.054 19998 2106 1 11 . 1 1 33 33 LYS N N 33 124.672 124.672 123.880 0.792 19998 2107 1 11 . 1 1 33 33 LYS HA H 33 4.717 4.717 4.158 0.559 19998 2108 1 11 . 1 1 33 33 LYS C C 33 172.236 172.236 175.473 -3.237 19998 2109 1 11 . 1 1 33 33 LYS CA C 33 54.730 54.730 54.122 0.608 19998 2110 1 11 . 1 1 33 33 LYS CB C 33 35.429 35.429 33.893 1.536 19998 2111 1 11 . 1 1 33 33 LYS H H 33 9.027 9.027 8.367 0.660 19998 2112 1 11 . 1 1 34 34 TYR N N 34 120.102 120.102 122.962 -2.860 19998 2113 1 11 . 1 1 34 34 TYR HA H 34 4.878 4.878 4.607 0.271 19998 2114 1 11 . 1 1 34 34 TYR C C 34 174.034 174.034 176.702 -2.668 19998 2115 1 11 . 1 1 34 34 TYR CA C 34 59.262 59.262 59.142 0.120 19998 2116 1 11 . 1 1 34 34 TYR CB C 34 38.633 38.633 38.049 0.584 19998 2117 1 11 . 1 1 34 34 TYR H H 34 8.092 8.092 8.729 -0.637 19998 2118 1 11 . 1 1 35 35 GLU N N 35 124.362 124.362 126.051 -1.689 19998 2119 1 11 . 1 1 35 35 GLU HA H 35 4.462 4.462 4.633 -0.171 19998 2120 1 11 . 1 1 35 35 GLU C C 35 172.127 172.127 175.042 -2.915 19998 2121 1 11 . 1 1 35 35 GLU CA C 35 56.267 56.267 55.795 0.472 19998 2122 1 11 . 1 1 35 35 GLU CB C 35 30.852 30.852 30.570 0.281 19998 2123 1 11 . 1 1 35 35 GLU H H 35 8.754 8.754 8.547 0.207 19998 2124 1 12 . 1 1 2 2 ALA N N 2 123.910 123.910 123.193 0.717 19998 2125 1 12 . 1 1 2 2 ALA HA H 2 4.464 4.464 4.688 -0.224 19998 2126 1 12 . 1 1 2 2 ALA C C 2 174.673 174.673 176.007 -1.334 19998 2127 1 12 . 1 1 2 2 ALA CA C 2 52.168 52.168 52.217 -0.049 19998 2128 1 12 . 1 1 2 2 ALA CB C 2 19.690 19.690 18.710 0.980 19998 2129 1 12 . 1 1 2 2 ALA H H 2 8.561 8.561 8.139 0.422 19998 2130 1 12 . 1 1 3 3 CYS N N 3 117.207 117.207 118.887 -1.680 19998 2131 1 12 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.663 0.302 19998 2132 1 12 . 1 1 3 3 CYS C C 3 170.808 170.808 172.690 -1.882 19998 2133 1 12 . 1 1 3 3 CYS CA C 3 54.754 54.754 57.191 -2.437 19998 2134 1 12 . 1 1 3 3 CYS CB C 3 44.067 44.067 29.318 14.749 19998 2135 1 12 . 1 1 3 3 CYS H H 3 8.335 8.335 8.143 0.192 19998 2136 1 12 . 1 1 4 4 LEU N N 4 121.828 121.828 122.646 -0.818 19998 2137 1 12 . 1 1 4 4 LEU HA H 4 4.345 4.345 4.625 -0.280 19998 2138 1 12 . 1 1 4 4 LEU C C 4 172.234 172.234 177.084 -4.850 19998 2139 1 12 . 1 1 4 4 LEU CA C 4 54.223 54.223 54.054 0.169 19998 2140 1 12 . 1 1 4 4 LEU CB C 4 44.578 44.578 44.157 0.421 19998 2141 1 12 . 1 1 4 4 LEU H H 4 8.815 8.815 8.372 0.443 19998 2142 1 12 . 1 1 5 5 GLY N N 5 107.508 107.508 110.059 -2.551 19998 2143 1 12 . 1 1 5 5 GLY C C 5 169.768 169.768 173.359 -3.591 19998 2144 1 12 . 1 1 5 5 GLY CA C 5 43.052 43.052 43.770 -0.719 19998 2145 1 12 . 1 1 5 5 GLY H H 5 7.999 7.999 8.324 -0.325 19998 2146 1 12 . 1 1 6 6 PHE N N 6 116.953 116.953 120.640 -3.687 19998 2147 1 12 . 1 1 6 6 PHE HA H 6 3.619 3.619 4.016 -0.397 19998 2148 1 12 . 1 1 6 6 PHE C C 6 174.967 174.967 176.737 -1.770 19998 2149 1 12 . 1 1 6 6 PHE CA C 6 60.101 60.101 58.765 1.336 19998 2150 1 12 . 1 1 6 6 PHE CB C 6 39.506 39.506 39.086 0.420 19998 2151 1 12 . 1 1 6 6 PHE H H 6 8.392 8.392 8.504 -0.112 19998 2152 1 12 . 1 1 7 7 GLY N N 7 115.074 115.074 115.310 -0.236 19998 2153 1 12 . 1 1 7 7 GLY C C 7 171.017 171.017 173.901 -2.884 19998 2154 1 12 . 1 1 7 7 GLY CA C 7 44.844 44.844 44.778 0.066 19998 2155 1 12 . 1 1 7 7 GLY H H 7 8.645 8.645 7.408 1.237 19998 2156 1 12 . 1 1 8 8 LYS N N 8 120.051 120.051 120.703 -0.652 19998 2157 1 12 . 1 1 8 8 LYS HA H 8 4.313 4.313 4.669 -0.356 19998 2158 1 12 . 1 1 8 8 LYS C C 8 173.878 173.878 175.906 -2.028 19998 2159 1 12 . 1 1 8 8 LYS CA C 8 54.570 54.570 54.184 0.386 19998 2160 1 12 . 1 1 8 8 LYS CB C 8 32.391 32.391 34.524 -2.133 19998 2161 1 12 . 1 1 8 8 LYS H H 8 7.429 7.429 7.402 0.027 19998 2162 1 12 . 1 1 9 9 SER N N 9 117.004 117.004 116.118 0.886 19998 2163 1 12 . 1 1 9 9 SER HA H 9 4.315 4.315 4.762 -0.447 19998 2164 1 12 . 1 1 9 9 SER C C 9 170.486 170.486 174.524 -4.038 19998 2165 1 12 . 1 1 9 9 SER CB C 9 63.355 63.355 62.694 0.661 19998 2166 1 12 . 1 1 9 9 SER H H 9 8.542 8.542 8.460 0.082 19998 2167 1 12 . 1 1 10 10 CYS N N 10 119.238 119.238 121.405 -2.167 19998 2168 1 12 . 1 1 10 10 CYS HA H 10 4.833 4.833 4.769 0.064 19998 2169 1 12 . 1 1 10 10 CYS C C 10 168.106 168.106 173.787 -5.681 19998 2170 1 12 . 1 1 10 10 CYS CA C 10 53.907 53.907 56.107 -2.200 19998 2171 1 12 . 1 1 10 10 CYS CB C 10 45.841 45.841 30.023 15.818 19998 2172 1 12 . 1 1 10 10 CYS H H 10 8.188 8.188 8.495 -0.307 19998 2173 1 12 . 1 1 11 11 ASN N N 11 119.594 119.594 118.922 0.672 19998 2174 1 12 . 1 1 11 11 ASN HA H 11 5.124 5.124 5.200 -0.076 19998 2175 1 12 . 1 1 11 11 ASN CA C 11 48.476 48.476 49.565 -1.089 19998 2176 1 12 . 1 1 11 11 ASN CB C 11 40.000 40.000 40.280 -0.280 19998 2177 1 12 . 1 1 11 11 ASN H H 11 9.129 9.129 8.606 0.523 19998 2178 1 12 . 1 1 12 12 PRO HA H 12 3.848 3.848 4.466 -0.618 19998 2179 1 12 . 1 1 12 12 PRO C C 12 174.197 174.197 178.529 -4.332 19998 2180 1 12 . 1 1 12 12 PRO CA C 12 64.689 64.689 64.824 -0.135 19998 2181 1 12 . 1 1 12 12 PRO CB C 12 31.883 31.883 32.270 -0.387 19998 2182 1 12 . 1 1 13 13 SER N N 13 110.351 110.351 112.603 -2.252 19998 2183 1 12 . 1 1 13 13 SER HA H 13 4.394 4.394 4.233 0.161 19998 2184 1 12 . 1 1 13 13 SER C C 13 170.980 170.980 173.965 -2.985 19998 2185 1 12 . 1 1 13 13 SER CA C 13 59.326 59.326 59.845 -0.519 19998 2186 1 12 . 1 1 13 13 SER CB C 13 63.380 63.380 63.086 0.294 19998 2187 1 12 . 1 1 13 13 SER H H 13 7.785 7.785 8.412 -0.627 19998 2188 1 12 . 1 1 14 14 ASN N N 14 120.660 120.660 117.930 2.730 19998 2189 1 12 . 1 1 14 14 ASN HA H 14 4.638 4.638 4.914 -0.276 19998 2190 1 12 . 1 1 14 14 ASN C C 14 171.412 171.412 173.491 -2.079 19998 2191 1 12 . 1 1 14 14 ASN CA C 14 52.806 52.806 51.734 1.072 19998 2192 1 12 . 1 1 14 14 ASN CB C 14 37.810 37.810 39.012 -1.202 19998 2193 1 12 . 1 1 14 14 ASN H H 14 7.613 7.613 7.760 -0.147 19998 2194 1 12 . 1 1 15 15 ASP N N 15 124.062 124.062 121.272 2.790 19998 2195 1 12 . 1 1 15 15 ASP HA H 15 4.110 4.110 4.507 -0.397 19998 2196 1 12 . 1 1 15 15 ASP C C 15 174.918 174.918 175.556 -0.638 19998 2197 1 12 . 1 1 15 15 ASP CA C 15 55.774 55.774 54.691 1.083 19998 2198 1 12 . 1 1 15 15 ASP CB C 15 41.360 41.360 40.702 0.658 19998 2199 1 12 . 1 1 15 15 ASP H H 15 8.695 8.695 7.999 0.696 19998 2200 1 12 . 1 1 16 16 GLN N N 16 127.008 127.008 122.062 4.946 19998 2201 1 12 . 1 1 16 16 GLN HA H 16 4.613 4.613 4.581 0.032 19998 2202 1 12 . 1 1 16 16 GLN C C 16 173.874 173.874 173.943 -0.069 19998 2203 1 12 . 1 1 16 16 GLN CA C 16 54.522 54.522 54.717 -0.195 19998 2204 1 12 . 1 1 16 16 GLN CB C 16 28.327 28.327 28.741 -0.414 19998 2205 1 12 . 1 1 16 16 GLN H H 16 8.041 8.041 8.591 -0.550 19998 2206 1 12 . 1 1 17 17 CYS N N 17 122.234 122.234 118.582 3.652 19998 2207 1 12 . 1 1 17 17 CYS HA H 17 4.983 4.983 4.762 0.221 19998 2208 1 12 . 1 1 17 17 CYS C C 17 173.908 173.908 174.812 -0.904 19998 2209 1 12 . 1 1 17 17 CYS CA C 17 56.486 56.486 57.645 -1.159 19998 2210 1 12 . 1 1 17 17 CYS CB C 17 38.906 38.906 30.539 8.367 19998 2211 1 12 . 1 1 17 17 CYS H H 17 9.314 9.314 8.040 1.274 19998 2212 1 12 . 1 1 18 18 CYS N N 18 118.883 118.883 122.557 -3.674 19998 2213 1 12 . 1 1 18 18 CYS HA H 18 4.608 4.608 4.527 0.081 19998 2214 1 12 . 1 1 18 18 CYS C C 18 172.722 172.722 175.984 -3.262 19998 2215 1 12 . 1 1 18 18 CYS CA C 18 55.521 55.521 59.155 -3.634 19998 2216 1 12 . 1 1 18 18 CYS CB C 18 41.367 41.367 26.233 15.134 19998 2217 1 12 . 1 1 18 18 CYS H H 18 9.192 9.192 8.632 0.560 19998 2218 1 12 . 1 1 19 19 LYS N N 19 131.730 131.730 126.925 4.805 19998 2219 1 12 . 1 1 19 19 LYS HA H 19 4.332 4.332 4.119 0.213 19998 2220 1 12 . 1 1 19 19 LYS C C 19 177.997 177.997 178.874 -0.877 19998 2221 1 12 . 1 1 19 19 LYS CA C 19 58.426 58.426 58.888 -0.462 19998 2222 1 12 . 1 1 19 19 LYS CB C 19 31.319 31.319 32.260 -0.941 19998 2223 1 12 . 1 1 19 19 LYS H H 19 8.890 8.890 8.537 0.352 19998 2224 1 12 . 1 1 20 20 SER N N 20 115.887 115.887 113.417 2.470 19998 2225 1 12 . 1 1 20 20 SER HA H 20 4.334 4.334 4.227 0.107 19998 2226 1 12 . 1 1 20 20 SER C C 20 172.946 172.946 175.425 -2.479 19998 2227 1 12 . 1 1 20 20 SER CA C 20 60.311 60.311 60.570 -0.259 19998 2228 1 12 . 1 1 20 20 SER CB C 20 62.327 62.327 62.697 -0.370 19998 2229 1 12 . 1 1 20 20 SER H H 20 8.856 8.856 8.659 0.197 19998 2230 1 12 . 1 1 21 21 SER N N 21 116.191 116.191 116.195 -0.004 19998 2231 1 12 . 1 1 21 21 SER HA H 21 4.833 4.833 4.598 0.235 19998 2232 1 12 . 1 1 21 21 SER C C 21 170.505 170.505 173.762 -3.257 19998 2233 1 12 . 1 1 21 21 SER CA C 21 57.500 57.500 58.166 -0.666 19998 2234 1 12 . 1 1 21 21 SER CB C 21 63.852 63.852 63.355 0.497 19998 2235 1 12 . 1 1 21 21 SER H H 21 7.068 7.068 7.630 -0.562 19998 2236 1 12 . 1 1 22 22 SER N N 22 111.723 111.723 115.806 -4.083 19998 2237 1 12 . 1 1 22 22 SER HA H 22 4.099 4.099 4.076 0.023 19998 2238 1 12 . 1 1 22 22 SER C C 22 170.369 170.369 172.886 -2.517 19998 2239 1 12 . 1 1 22 22 SER CA C 22 59.140 59.140 59.562 -0.423 19998 2240 1 12 . 1 1 22 22 SER CB C 22 61.339 61.339 61.727 -0.388 19998 2241 1 12 . 1 1 22 22 SER H H 22 8.113 8.113 8.220 -0.107 19998 2242 1 12 . 1 1 23 23 LEU N N 23 115.988 115.988 118.682 -2.694 19998 2243 1 12 . 1 1 23 23 LEU HA H 23 4.898 4.898 4.960 -0.062 19998 2244 1 12 . 1 1 23 23 LEU C C 23 173.712 173.712 175.634 -1.922 19998 2245 1 12 . 1 1 23 23 LEU CA C 23 53.083 53.083 53.273 -0.190 19998 2246 1 12 . 1 1 23 23 LEU CB C 23 46.062 46.062 45.896 0.166 19998 2247 1 12 . 1 1 23 23 LEU H H 23 7.111 7.111 7.544 -0.433 19998 2248 1 12 . 1 1 24 24 ALA N N 24 119.898 119.898 121.414 -1.516 19998 2249 1 12 . 1 1 24 24 ALA HA H 24 4.466 4.466 4.586 -0.120 19998 2250 1 12 . 1 1 24 24 ALA C C 24 173.491 173.491 174.724 -1.233 19998 2251 1 12 . 1 1 24 24 ALA CA C 24 51.167 51.167 51.775 -0.608 19998 2252 1 12 . 1 1 24 24 ALA CB C 24 23.237 23.237 21.727 1.510 19998 2253 1 12 . 1 1 24 24 ALA H H 24 8.904 8.904 7.913 0.991 19998 2254 1 12 . 1 1 25 25 CYS N N 25 122.945 122.945 121.284 1.661 19998 2255 1 12 . 1 1 25 25 CYS HA H 25 4.452 4.452 4.954 -0.502 19998 2256 1 12 . 1 1 25 25 CYS C C 25 171.574 171.574 175.172 -3.598 19998 2257 1 12 . 1 1 25 25 CYS CA C 25 56.132 56.132 57.628 -1.496 19998 2258 1 12 . 1 1 25 25 CYS CB C 25 39.179 39.179 26.566 12.613 19998 2259 1 12 . 1 1 25 25 CYS H H 25 9.847 9.847 8.677 1.170 19998 2260 1 12 . 1 1 26 26 SER N N 26 122.285 122.285 124.037 -1.752 19998 2261 1 12 . 1 1 26 26 SER HA H 26 4.543 4.543 4.707 -0.164 19998 2262 1 12 . 1 1 26 26 SER CA C 26 57.773 57.773 56.914 0.859 19998 2263 1 12 . 1 1 26 26 SER CB C 26 63.789 63.789 65.583 -1.794 19998 2264 1 12 . 1 1 26 26 SER H H 26 7.791 7.791 8.415 -0.624 19998 2265 1 12 . 1 1 27 27 THR N N 27 122.390 122.390 121.566 0.824 19998 2266 1 12 . 1 1 27 27 THR HA H 27 3.778 3.778 4.218 -0.440 19998 2267 1 12 . 1 1 27 27 THR C C 27 172.781 172.781 175.038 -2.257 19998 2268 1 12 . 1 1 27 27 THR CA C 27 65.390 65.390 63.976 1.414 19998 2269 1 12 . 1 1 27 27 THR CB C 27 68.458 68.458 68.712 -0.254 19998 2270 1 12 . 1 1 27 27 THR H H 27 8.874 8.874 8.679 0.195 19998 2271 1 12 . 1 1 28 28 LYS N N 28 118.883 118.883 121.252 -2.369 19998 2272 1 12 . 1 1 28 28 LYS HA H 28 4.031 4.031 4.279 -0.248 19998 2273 1 12 . 1 1 28 28 LYS C C 28 174.613 174.613 177.219 -2.606 19998 2274 1 12 . 1 1 28 28 LYS CA C 28 57.799 57.799 57.971 -0.172 19998 2275 1 12 . 1 1 28 28 LYS CB C 28 33.164 33.164 32.261 0.903 19998 2276 1 12 . 1 1 28 28 LYS H H 28 7.609 7.609 8.163 -0.554 19998 2277 1 12 . 1 1 29 29 HIS N N 29 113.398 113.398 115.363 -1.965 19998 2278 1 12 . 1 1 29 29 HIS HA H 29 4.284 4.284 4.639 -0.355 19998 2279 1 12 . 1 1 29 29 HIS CA C 29 55.586 55.586 55.635 -0.049 19998 2280 1 12 . 1 1 29 29 HIS CB C 29 29.062 29.062 30.848 -1.786 19998 2281 1 12 . 1 1 29 29 HIS H H 29 7.450 7.450 8.076 -0.626 19998 2282 1 12 . 1 1 30 30 LYS N N 30 116.344 116.344 118.961 -2.617 19998 2283 1 12 . 1 1 30 30 LYS HA H 30 3.888 3.888 4.219 -0.331 19998 2284 1 12 . 1 1 30 30 LYS CA C 30 57.500 57.500 57.356 0.144 19998 2285 1 12 . 1 1 30 30 LYS CB C 30 29.609 29.609 30.672 -1.063 19998 2286 1 12 . 1 1 30 30 LYS H H 30 8.261 8.261 8.430 -0.169 19998 2287 1 12 . 1 1 31 31 TRP N N 31 117.766 117.766 114.901 2.865 19998 2288 1 12 . 1 1 31 31 TRP HA H 31 5.477 5.477 5.004 0.473 19998 2289 1 12 . 1 1 31 31 TRP C C 31 174.754 174.754 174.350 0.404 19998 2290 1 12 . 1 1 31 31 TRP CA C 31 55.756 55.756 54.282 1.474 19998 2291 1 12 . 1 1 31 31 TRP CB C 31 30.976 30.976 29.770 1.206 19998 2292 1 12 . 1 1 31 31 TRP H H 31 8.483 8.483 7.705 0.778 19998 2293 1 12 . 1 1 32 32 CYS N N 32 118.984 118.984 123.133 -4.149 19998 2294 1 12 . 1 1 32 32 CYS HA H 32 4.747 4.747 4.420 0.327 19998 2295 1 12 . 1 1 32 32 CYS C C 32 171.472 171.472 174.742 -3.270 19998 2296 1 12 . 1 1 32 32 CYS CA C 32 54.733 54.733 59.213 -4.480 19998 2297 1 12 . 1 1 32 32 CYS CB C 32 39.524 39.524 24.585 14.939 19998 2298 1 12 . 1 1 32 32 CYS H H 32 8.474 8.474 8.415 0.059 19998 2299 1 12 . 1 1 33 33 LYS N N 33 124.672 124.672 123.912 0.760 19998 2300 1 12 . 1 1 33 33 LYS HA H 33 4.717 4.717 4.116 0.601 19998 2301 1 12 . 1 1 33 33 LYS C C 33 172.236 172.236 175.455 -3.219 19998 2302 1 12 . 1 1 33 33 LYS CA C 33 54.730 54.730 54.086 0.644 19998 2303 1 12 . 1 1 33 33 LYS CB C 33 35.429 35.429 33.970 1.459 19998 2304 1 12 . 1 1 33 33 LYS H H 33 9.027 9.027 8.268 0.759 19998 2305 1 12 . 1 1 34 34 TYR N N 34 120.102 120.102 122.724 -2.622 19998 2306 1 12 . 1 1 34 34 TYR HA H 34 4.878 4.878 4.566 0.312 19998 2307 1 12 . 1 1 34 34 TYR C C 34 174.034 174.034 176.854 -2.820 19998 2308 1 12 . 1 1 34 34 TYR CA C 34 59.262 59.262 58.491 0.771 19998 2309 1 12 . 1 1 34 34 TYR CB C 34 38.633 38.633 37.862 0.771 19998 2310 1 12 . 1 1 34 34 TYR H H 34 8.092 8.092 8.689 -0.597 19998 2311 1 12 . 1 1 35 35 GLU N N 35 124.362 124.362 126.435 -2.073 19998 2312 1 12 . 1 1 35 35 GLU HA H 35 4.462 4.462 4.332 0.130 19998 2313 1 12 . 1 1 35 35 GLU C C 35 172.127 172.127 175.370 -3.243 19998 2314 1 12 . 1 1 35 35 GLU CA C 35 56.267 56.267 56.707 -0.440 19998 2315 1 12 . 1 1 35 35 GLU CB C 35 30.852 30.852 29.857 0.995 19998 2316 1 12 . 1 1 35 35 GLU H H 35 8.754 8.754 8.521 0.233 19998 2317 1 13 . 1 1 2 2 ALA N N 2 123.910 123.910 126.325 -2.415 19998 2318 1 13 . 1 1 2 2 ALA HA H 2 4.464 4.464 4.927 -0.463 19998 2319 1 13 . 1 1 2 2 ALA C C 2 174.673 174.673 176.564 -1.891 19998 2320 1 13 . 1 1 2 2 ALA CA C 2 52.168 52.168 52.271 -0.103 19998 2321 1 13 . 1 1 2 2 ALA CB C 2 19.690 19.690 19.143 0.547 19998 2322 1 13 . 1 1 2 2 ALA H H 2 8.561 8.561 8.230 0.331 19998 2323 1 13 . 1 1 3 3 CYS N N 3 117.207 117.207 118.850 -1.643 19998 2324 1 13 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.657 0.308 19998 2325 1 13 . 1 1 3 3 CYS C C 3 170.808 170.808 172.627 -1.819 19998 2326 1 13 . 1 1 3 3 CYS CA C 3 54.754 54.754 57.349 -2.595 19998 2327 1 13 . 1 1 3 3 CYS CB C 3 44.067 44.067 29.219 14.848 19998 2328 1 13 . 1 1 3 3 CYS H H 3 8.335 8.335 8.219 0.116 19998 2329 1 13 . 1 1 4 4 LEU N N 4 121.828 121.828 122.769 -0.941 19998 2330 1 13 . 1 1 4 4 LEU HA H 4 4.345 4.345 4.625 -0.280 19998 2331 1 13 . 1 1 4 4 LEU C C 4 172.234 172.234 177.118 -4.884 19998 2332 1 13 . 1 1 4 4 LEU CA C 4 54.223 54.223 54.057 0.166 19998 2333 1 13 . 1 1 4 4 LEU CB C 4 44.578 44.578 43.999 0.579 19998 2334 1 13 . 1 1 4 4 LEU H H 4 8.815 8.815 8.389 0.426 19998 2335 1 13 . 1 1 5 5 GLY N N 5 107.508 107.508 110.172 -2.664 19998 2336 1 13 . 1 1 5 5 GLY C C 5 169.768 169.768 173.385 -3.617 19998 2337 1 13 . 1 1 5 5 GLY CA C 5 43.052 43.052 43.831 -0.779 19998 2338 1 13 . 1 1 5 5 GLY H H 5 7.999 7.999 8.331 -0.332 19998 2339 1 13 . 1 1 6 6 PHE N N 6 116.953 116.953 120.230 -3.277 19998 2340 1 13 . 1 1 6 6 PHE HA H 6 3.619 3.619 4.021 -0.402 19998 2341 1 13 . 1 1 6 6 PHE C C 6 174.967 174.967 176.737 -1.770 19998 2342 1 13 . 1 1 6 6 PHE CA C 6 60.101 60.101 58.518 1.583 19998 2343 1 13 . 1 1 6 6 PHE CB C 6 39.506 39.506 39.327 0.179 19998 2344 1 13 . 1 1 6 6 PHE H H 6 8.392 8.392 8.426 -0.034 19998 2345 1 13 . 1 1 7 7 GLY N N 7 115.074 115.074 115.167 -0.093 19998 2346 1 13 . 1 1 7 7 GLY C C 7 171.017 171.017 173.824 -2.807 19998 2347 1 13 . 1 1 7 7 GLY CA C 7 44.844 44.844 44.843 0.001 19998 2348 1 13 . 1 1 7 7 GLY H H 7 8.645 8.645 7.410 1.235 19998 2349 1 13 . 1 1 8 8 LYS N N 8 120.051 120.051 120.470 -0.419 19998 2350 1 13 . 1 1 8 8 LYS HA H 8 4.313 4.313 4.609 -0.296 19998 2351 1 13 . 1 1 8 8 LYS C C 8 173.878 173.878 176.022 -2.144 19998 2352 1 13 . 1 1 8 8 LYS CA C 8 54.570 54.570 54.190 0.380 19998 2353 1 13 . 1 1 8 8 LYS CB C 8 32.391 32.391 34.123 -1.732 19998 2354 1 13 . 1 1 8 8 LYS H H 8 7.429 7.429 7.381 0.048 19998 2355 1 13 . 1 1 9 9 SER N N 9 117.004 117.004 117.093 -0.089 19998 2356 1 13 . 1 1 9 9 SER HA H 9 4.315 4.315 4.682 -0.367 19998 2357 1 13 . 1 1 9 9 SER C C 9 170.486 170.486 174.272 -3.786 19998 2358 1 13 . 1 1 9 9 SER CB C 9 63.355 63.355 62.986 0.369 19998 2359 1 13 . 1 1 9 9 SER H H 9 8.542 8.542 8.508 0.034 19998 2360 1 13 . 1 1 10 10 CYS N N 10 119.238 119.238 121.469 -2.231 19998 2361 1 13 . 1 1 10 10 CYS HA H 10 4.833 4.833 4.764 0.069 19998 2362 1 13 . 1 1 10 10 CYS C C 10 168.106 168.106 173.070 -4.964 19998 2363 1 13 . 1 1 10 10 CYS CA C 10 53.907 53.907 55.845 -1.938 19998 2364 1 13 . 1 1 10 10 CYS CB C 10 45.841 45.841 30.147 15.694 19998 2365 1 13 . 1 1 10 10 CYS H H 10 8.188 8.188 8.382 -0.194 19998 2366 1 13 . 1 1 11 11 ASN N N 11 119.594 119.594 119.004 0.590 19998 2367 1 13 . 1 1 11 11 ASN HA H 11 5.124 5.124 5.186 -0.062 19998 2368 1 13 . 1 1 11 11 ASN CA C 11 48.476 48.476 49.791 -1.315 19998 2369 1 13 . 1 1 11 11 ASN CB C 11 40.000 40.000 41.165 -1.165 19998 2370 1 13 . 1 1 11 11 ASN H H 11 9.129 9.129 8.626 0.503 19998 2371 1 13 . 1 1 12 12 PRO HA H 12 3.848 3.848 4.469 -0.621 19998 2372 1 13 . 1 1 12 12 PRO C C 12 174.197 174.197 178.151 -3.954 19998 2373 1 13 . 1 1 12 12 PRO CA C 12 64.689 64.689 64.912 -0.223 19998 2374 1 13 . 1 1 12 12 PRO CB C 12 31.883 31.883 32.170 -0.287 19998 2375 1 13 . 1 1 13 13 SER N N 13 110.351 110.351 112.602 -2.251 19998 2376 1 13 . 1 1 13 13 SER HA H 13 4.394 4.394 4.244 0.150 19998 2377 1 13 . 1 1 13 13 SER C C 13 170.980 170.980 174.117 -3.137 19998 2378 1 13 . 1 1 13 13 SER CA C 13 59.326 59.326 60.169 -0.843 19998 2379 1 13 . 1 1 13 13 SER CB C 13 63.380 63.380 63.064 0.316 19998 2380 1 13 . 1 1 13 13 SER H H 13 7.785 7.785 8.408 -0.623 19998 2381 1 13 . 1 1 14 14 ASN N N 14 120.660 120.660 117.660 3.000 19998 2382 1 13 . 1 1 14 14 ASN HA H 14 4.638 4.638 4.792 -0.154 19998 2383 1 13 . 1 1 14 14 ASN C C 14 171.412 171.412 173.720 -2.308 19998 2384 1 13 . 1 1 14 14 ASN CA C 14 52.806 52.806 52.139 0.667 19998 2385 1 13 . 1 1 14 14 ASN CB C 14 37.810 37.810 39.005 -1.196 19998 2386 1 13 . 1 1 14 14 ASN H H 14 7.613 7.613 7.896 -0.283 19998 2387 1 13 . 1 1 15 15 ASP N N 15 124.062 124.062 121.633 2.429 19998 2388 1 13 . 1 1 15 15 ASP HA H 15 4.110 4.110 4.502 -0.392 19998 2389 1 13 . 1 1 15 15 ASP C C 15 174.918 174.918 175.620 -0.702 19998 2390 1 13 . 1 1 15 15 ASP CA C 15 55.774 55.774 54.684 1.091 19998 2391 1 13 . 1 1 15 15 ASP CB C 15 41.360 41.360 40.608 0.751 19998 2392 1 13 . 1 1 15 15 ASP H H 15 8.695 8.695 8.014 0.681 19998 2393 1 13 . 1 1 16 16 GLN N N 16 127.008 127.008 121.837 5.171 19998 2394 1 13 . 1 1 16 16 GLN HA H 16 4.613 4.613 4.573 0.040 19998 2395 1 13 . 1 1 16 16 GLN C C 16 173.874 173.874 174.047 -0.173 19998 2396 1 13 . 1 1 16 16 GLN CA C 16 54.522 54.522 54.737 -0.215 19998 2397 1 13 . 1 1 16 16 GLN CB C 16 28.327 28.327 29.128 -0.801 19998 2398 1 13 . 1 1 16 16 GLN H H 16 8.041 8.041 8.622 -0.581 19998 2399 1 13 . 1 1 17 17 CYS N N 17 122.234 122.234 118.571 3.663 19998 2400 1 13 . 1 1 17 17 CYS HA H 17 4.983 4.983 4.766 0.217 19998 2401 1 13 . 1 1 17 17 CYS C C 17 173.908 173.908 174.792 -0.884 19998 2402 1 13 . 1 1 17 17 CYS CA C 17 56.486 56.486 57.636 -1.150 19998 2403 1 13 . 1 1 17 17 CYS CB C 17 38.906 38.906 30.539 8.367 19998 2404 1 13 . 1 1 17 17 CYS H H 17 9.314 9.314 8.021 1.293 19998 2405 1 13 . 1 1 18 18 CYS N N 18 118.883 118.883 122.518 -3.635 19998 2406 1 13 . 1 1 18 18 CYS HA H 18 4.608 4.608 4.533 0.075 19998 2407 1 13 . 1 1 18 18 CYS C C 18 172.722 172.722 175.973 -3.251 19998 2408 1 13 . 1 1 18 18 CYS CA C 18 55.521 55.521 59.146 -3.625 19998 2409 1 13 . 1 1 18 18 CYS CB C 18 41.367 41.367 26.332 15.035 19998 2410 1 13 . 1 1 18 18 CYS H H 18 9.192 9.192 8.607 0.585 19998 2411 1 13 . 1 1 19 19 LYS N N 19 131.730 131.730 127.181 4.549 19998 2412 1 13 . 1 1 19 19 LYS HA H 19 4.332 4.332 4.098 0.234 19998 2413 1 13 . 1 1 19 19 LYS C C 19 177.997 177.997 179.094 -1.097 19998 2414 1 13 . 1 1 19 19 LYS CA C 19 58.426 58.426 58.829 -0.403 19998 2415 1 13 . 1 1 19 19 LYS CB C 19 31.319 31.319 32.244 -0.925 19998 2416 1 13 . 1 1 19 19 LYS H H 19 8.890 8.890 8.621 0.269 19998 2417 1 13 . 1 1 20 20 SER N N 20 115.887 115.887 114.932 0.955 19998 2418 1 13 . 1 1 20 20 SER HA H 20 4.334 4.334 4.287 0.047 19998 2419 1 13 . 1 1 20 20 SER C C 20 172.946 172.946 175.391 -2.445 19998 2420 1 13 . 1 1 20 20 SER CA C 20 60.311 60.311 60.579 -0.268 19998 2421 1 13 . 1 1 20 20 SER CB C 20 62.327 62.327 62.736 -0.409 19998 2422 1 13 . 1 1 20 20 SER H H 20 8.856 8.856 8.672 0.184 19998 2423 1 13 . 1 1 21 21 SER N N 21 116.191 116.191 115.569 0.622 19998 2424 1 13 . 1 1 21 21 SER HA H 21 4.833 4.833 4.597 0.236 19998 2425 1 13 . 1 1 21 21 SER C C 21 170.505 170.505 172.927 -2.422 19998 2426 1 13 . 1 1 21 21 SER CA C 21 57.500 57.500 58.320 -0.820 19998 2427 1 13 . 1 1 21 21 SER CB C 21 63.852 63.852 63.670 0.182 19998 2428 1 13 . 1 1 21 21 SER H H 21 7.068 7.068 7.595 -0.527 19998 2429 1 13 . 1 1 22 22 SER N N 22 111.723 111.723 115.792 -4.069 19998 2430 1 13 . 1 1 22 22 SER HA H 22 4.099 4.099 4.123 -0.024 19998 2431 1 13 . 1 1 22 22 SER C C 22 170.369 170.369 172.978 -2.609 19998 2432 1 13 . 1 1 22 22 SER CA C 22 59.140 59.140 59.854 -0.714 19998 2433 1 13 . 1 1 22 22 SER CB C 22 61.339 61.339 61.340 -0.001 19998 2434 1 13 . 1 1 22 22 SER H H 22 8.113 8.113 8.235 -0.122 19998 2435 1 13 . 1 1 23 23 LEU N N 23 115.988 115.988 119.466 -3.478 19998 2436 1 13 . 1 1 23 23 LEU HA H 23 4.898 4.898 4.935 -0.037 19998 2437 1 13 . 1 1 23 23 LEU C C 23 173.712 173.712 175.489 -1.777 19998 2438 1 13 . 1 1 23 23 LEU CA C 23 53.083 53.083 53.313 -0.230 19998 2439 1 13 . 1 1 23 23 LEU CB C 23 46.062 46.062 45.495 0.567 19998 2440 1 13 . 1 1 23 23 LEU H H 23 7.111 7.111 7.618 -0.507 19998 2441 1 13 . 1 1 24 24 ALA N N 24 119.898 119.898 120.988 -1.090 19998 2442 1 13 . 1 1 24 24 ALA HA H 24 4.466 4.466 4.657 -0.191 19998 2443 1 13 . 1 1 24 24 ALA C C 24 173.491 173.491 174.727 -1.236 19998 2444 1 13 . 1 1 24 24 ALA CA C 24 51.167 51.167 51.756 -0.589 19998 2445 1 13 . 1 1 24 24 ALA CB C 24 23.237 23.237 21.683 1.554 19998 2446 1 13 . 1 1 24 24 ALA H H 24 8.904 8.904 7.800 1.104 19998 2447 1 13 . 1 1 25 25 CYS N N 25 122.945 122.945 121.526 1.419 19998 2448 1 13 . 1 1 25 25 CYS HA H 25 4.452 4.452 5.057 -0.605 19998 2449 1 13 . 1 1 25 25 CYS C C 25 171.574 171.574 175.115 -3.541 19998 2450 1 13 . 1 1 25 25 CYS CA C 25 56.132 56.132 57.758 -1.626 19998 2451 1 13 . 1 1 25 25 CYS CB C 25 39.179 39.179 26.512 12.667 19998 2452 1 13 . 1 1 25 25 CYS H H 25 9.847 9.847 8.639 1.208 19998 2453 1 13 . 1 1 26 26 SER N N 26 122.285 122.285 122.923 -0.638 19998 2454 1 13 . 1 1 26 26 SER HA H 26 4.543 4.543 4.779 -0.236 19998 2455 1 13 . 1 1 26 26 SER CA C 26 57.773 57.773 57.731 0.042 19998 2456 1 13 . 1 1 26 26 SER CB C 26 63.789 63.789 65.418 -1.629 19998 2457 1 13 . 1 1 26 26 SER H H 26 7.791 7.791 8.312 -0.521 19998 2458 1 13 . 1 1 27 27 THR N N 27 122.390 122.390 120.884 1.506 19998 2459 1 13 . 1 1 27 27 THR HA H 27 3.778 3.778 4.236 -0.458 19998 2460 1 13 . 1 1 27 27 THR C C 27 172.781 172.781 175.010 -2.229 19998 2461 1 13 . 1 1 27 27 THR CA C 27 65.390 65.390 64.397 0.993 19998 2462 1 13 . 1 1 27 27 THR CB C 27 68.458 68.458 68.823 -0.365 19998 2463 1 13 . 1 1 27 27 THR H H 27 8.874 8.874 8.673 0.201 19998 2464 1 13 . 1 1 28 28 LYS N N 28 118.883 118.883 121.559 -2.676 19998 2465 1 13 . 1 1 28 28 LYS HA H 28 4.031 4.031 4.135 -0.104 19998 2466 1 13 . 1 1 28 28 LYS C C 28 174.613 174.613 176.731 -2.118 19998 2467 1 13 . 1 1 28 28 LYS CA C 28 57.799 57.799 58.416 -0.617 19998 2468 1 13 . 1 1 28 28 LYS CB C 28 33.164 33.164 32.219 0.945 19998 2469 1 13 . 1 1 28 28 LYS H H 28 7.609 7.609 8.007 -0.398 19998 2470 1 13 . 1 1 29 29 HIS N N 29 113.398 113.398 114.957 -1.559 19998 2471 1 13 . 1 1 29 29 HIS HA H 29 4.284 4.284 4.599 -0.315 19998 2472 1 13 . 1 1 29 29 HIS CA C 29 55.586 55.586 55.692 -0.106 19998 2473 1 13 . 1 1 29 29 HIS CB C 29 29.062 29.062 30.729 -1.667 19998 2474 1 13 . 1 1 29 29 HIS H H 29 7.450 7.450 8.021 -0.571 19998 2475 1 13 . 1 1 30 30 LYS N N 30 116.344 116.344 118.994 -2.650 19998 2476 1 13 . 1 1 30 30 LYS HA H 30 3.888 3.888 4.215 -0.327 19998 2477 1 13 . 1 1 30 30 LYS CA C 30 57.500 57.500 57.334 0.166 19998 2478 1 13 . 1 1 30 30 LYS CB C 30 29.609 29.609 30.651 -1.042 19998 2479 1 13 . 1 1 30 30 LYS H H 30 8.261 8.261 8.421 -0.161 19998 2480 1 13 . 1 1 31 31 TRP N N 31 117.766 117.766 114.958 2.808 19998 2481 1 13 . 1 1 31 31 TRP HA H 31 5.477 5.477 4.934 0.543 19998 2482 1 13 . 1 1 31 31 TRP C C 31 174.754 174.754 174.182 0.572 19998 2483 1 13 . 1 1 31 31 TRP CA C 31 55.756 55.756 54.321 1.435 19998 2484 1 13 . 1 1 31 31 TRP CB C 31 30.976 30.976 29.847 1.129 19998 2485 1 13 . 1 1 31 31 TRP H H 31 8.483 8.483 7.746 0.737 19998 2486 1 13 . 1 1 32 32 CYS N N 32 118.984 118.984 122.751 -3.767 19998 2487 1 13 . 1 1 32 32 CYS HA H 32 4.747 4.747 4.365 0.382 19998 2488 1 13 . 1 1 32 32 CYS C C 32 171.472 171.472 174.651 -3.179 19998 2489 1 13 . 1 1 32 32 CYS CA C 32 54.733 54.733 59.057 -4.324 19998 2490 1 13 . 1 1 32 32 CYS CB C 32 39.524 39.524 24.638 14.886 19998 2491 1 13 . 1 1 32 32 CYS H H 32 8.474 8.474 8.388 0.086 19998 2492 1 13 . 1 1 33 33 LYS N N 33 124.672 124.672 123.834 0.838 19998 2493 1 13 . 1 1 33 33 LYS HA H 33 4.717 4.717 4.102 0.615 19998 2494 1 13 . 1 1 33 33 LYS C C 33 172.236 172.236 175.443 -3.207 19998 2495 1 13 . 1 1 33 33 LYS CA C 33 54.730 54.730 54.115 0.614 19998 2496 1 13 . 1 1 33 33 LYS CB C 33 35.429 35.429 33.908 1.521 19998 2497 1 13 . 1 1 33 33 LYS H H 33 9.027 9.027 8.334 0.693 19998 2498 1 13 . 1 1 34 34 TYR N N 34 120.102 120.102 122.327 -2.225 19998 2499 1 13 . 1 1 34 34 TYR HA H 34 4.878 4.878 4.622 0.256 19998 2500 1 13 . 1 1 34 34 TYR C C 34 174.034 174.034 176.781 -2.747 19998 2501 1 13 . 1 1 34 34 TYR CA C 34 59.262 59.262 58.804 0.458 19998 2502 1 13 . 1 1 34 34 TYR CB C 34 38.633 38.633 38.096 0.536 19998 2503 1 13 . 1 1 34 34 TYR H H 34 8.092 8.092 8.666 -0.574 19998 2504 1 13 . 1 1 35 35 GLU N N 35 124.362 124.362 125.663 -1.301 19998 2505 1 13 . 1 1 35 35 GLU HA H 35 4.462 4.462 4.471 -0.009 19998 2506 1 13 . 1 1 35 35 GLU C C 35 172.127 172.127 175.116 -2.989 19998 2507 1 13 . 1 1 35 35 GLU CA C 35 56.267 56.267 55.852 0.415 19998 2508 1 13 . 1 1 35 35 GLU CB C 35 30.852 30.852 30.166 0.686 19998 2509 1 13 . 1 1 35 35 GLU H H 35 8.754 8.754 8.454 0.300 19998 2510 1 14 . 1 1 2 2 ALA N N 2 123.910 123.910 123.815 0.095 19998 2511 1 14 . 1 1 2 2 ALA HA H 2 4.464 4.464 4.723 -0.259 19998 2512 1 14 . 1 1 2 2 ALA C C 2 174.673 174.673 176.116 -1.443 19998 2513 1 14 . 1 1 2 2 ALA CA C 2 52.168 52.168 52.071 0.097 19998 2514 1 14 . 1 1 2 2 ALA CB C 2 19.690 19.690 18.242 1.448 19998 2515 1 14 . 1 1 2 2 ALA H H 2 8.561 8.561 8.191 0.370 19998 2516 1 14 . 1 1 3 3 CYS N N 3 117.207 117.207 118.865 -1.658 19998 2517 1 14 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.685 0.280 19998 2518 1 14 . 1 1 3 3 CYS C C 3 170.808 170.808 172.422 -1.614 19998 2519 1 14 . 1 1 3 3 CYS CA C 3 54.754 54.754 57.537 -2.783 19998 2520 1 14 . 1 1 3 3 CYS CB C 3 44.067 44.067 28.977 15.090 19998 2521 1 14 . 1 1 3 3 CYS H H 3 8.335 8.335 8.283 0.052 19998 2522 1 14 . 1 1 4 4 LEU N N 4 121.828 121.828 122.500 -0.672 19998 2523 1 14 . 1 1 4 4 LEU HA H 4 4.345 4.345 4.609 -0.264 19998 2524 1 14 . 1 1 4 4 LEU C C 4 172.234 172.234 177.280 -5.046 19998 2525 1 14 . 1 1 4 4 LEU CA C 4 54.223 54.223 53.883 0.340 19998 2526 1 14 . 1 1 4 4 LEU CB C 4 44.578 44.578 43.999 0.579 19998 2527 1 14 . 1 1 4 4 LEU H H 4 8.815 8.815 8.296 0.519 19998 2528 1 14 . 1 1 5 5 GLY N N 5 107.508 107.508 110.448 -2.940 19998 2529 1 14 . 1 1 5 5 GLY C C 5 169.768 169.768 173.432 -3.664 19998 2530 1 14 . 1 1 5 5 GLY CA C 5 43.052 43.052 44.050 -0.998 19998 2531 1 14 . 1 1 5 5 GLY H H 5 7.999 7.999 8.316 -0.318 19998 2532 1 14 . 1 1 6 6 PHE N N 6 116.953 116.953 120.573 -3.620 19998 2533 1 14 . 1 1 6 6 PHE HA H 6 3.619 3.619 3.981 -0.362 19998 2534 1 14 . 1 1 6 6 PHE C C 6 174.967 174.967 176.786 -1.819 19998 2535 1 14 . 1 1 6 6 PHE CA C 6 60.101 60.101 58.909 1.192 19998 2536 1 14 . 1 1 6 6 PHE CB C 6 39.506 39.506 39.076 0.430 19998 2537 1 14 . 1 1 6 6 PHE H H 6 8.392 8.392 8.478 -0.086 19998 2538 1 14 . 1 1 7 7 GLY N N 7 115.074 115.074 115.088 -0.014 19998 2539 1 14 . 1 1 7 7 GLY C C 7 171.017 171.017 173.874 -2.857 19998 2540 1 14 . 1 1 7 7 GLY CA C 7 44.844 44.844 44.821 0.023 19998 2541 1 14 . 1 1 7 7 GLY H H 7 8.645 8.645 7.388 1.257 19998 2542 1 14 . 1 1 8 8 LYS N N 8 120.051 120.051 120.599 -0.548 19998 2543 1 14 . 1 1 8 8 LYS HA H 8 4.313 4.313 4.593 -0.280 19998 2544 1 14 . 1 1 8 8 LYS C C 8 173.878 173.878 175.962 -2.084 19998 2545 1 14 . 1 1 8 8 LYS CA C 8 54.570 54.570 54.228 0.342 19998 2546 1 14 . 1 1 8 8 LYS CB C 8 32.391 32.391 34.113 -1.722 19998 2547 1 14 . 1 1 8 8 LYS H H 8 7.429 7.429 7.355 0.074 19998 2548 1 14 . 1 1 9 9 SER N N 9 117.004 117.004 117.103 -0.099 19998 2549 1 14 . 1 1 9 9 SER HA H 9 4.315 4.315 4.610 -0.295 19998 2550 1 14 . 1 1 9 9 SER C C 9 170.486 170.486 174.395 -3.909 19998 2551 1 14 . 1 1 9 9 SER CB C 9 63.355 63.355 62.998 0.357 19998 2552 1 14 . 1 1 9 9 SER H H 9 8.542 8.542 8.504 0.038 19998 2553 1 14 . 1 1 10 10 CYS N N 10 119.238 119.238 121.689 -2.451 19998 2554 1 14 . 1 1 10 10 CYS HA H 10 4.833 4.833 4.728 0.105 19998 2555 1 14 . 1 1 10 10 CYS C C 10 168.106 168.106 173.080 -4.974 19998 2556 1 14 . 1 1 10 10 CYS CA C 10 53.907 53.907 55.836 -1.929 19998 2557 1 14 . 1 1 10 10 CYS CB C 10 45.841 45.841 30.264 15.577 19998 2558 1 14 . 1 1 10 10 CYS H H 10 8.188 8.188 8.273 -0.085 19998 2559 1 14 . 1 1 11 11 ASN N N 11 119.594 119.594 119.056 0.538 19998 2560 1 14 . 1 1 11 11 ASN HA H 11 5.124 5.124 5.194 -0.070 19998 2561 1 14 . 1 1 11 11 ASN CA C 11 48.476 48.476 49.752 -1.276 19998 2562 1 14 . 1 1 11 11 ASN CB C 11 40.000 40.000 41.095 -1.095 19998 2563 1 14 . 1 1 11 11 ASN H H 11 9.129 9.129 8.624 0.505 19998 2564 1 14 . 1 1 12 12 PRO HA H 12 3.848 3.848 4.432 -0.584 19998 2565 1 14 . 1 1 12 12 PRO C C 12 174.197 174.197 178.207 -4.010 19998 2566 1 14 . 1 1 12 12 PRO CA C 12 64.689 64.689 64.660 0.029 19998 2567 1 14 . 1 1 12 12 PRO CB C 12 31.883 31.883 32.166 -0.283 19998 2568 1 14 . 1 1 13 13 SER N N 13 110.351 110.351 113.043 -2.692 19998 2569 1 14 . 1 1 13 13 SER HA H 13 4.394 4.394 4.263 0.131 19998 2570 1 14 . 1 1 13 13 SER C C 13 170.980 170.980 174.139 -3.159 19998 2571 1 14 . 1 1 13 13 SER CA C 13 59.326 59.326 59.941 -0.615 19998 2572 1 14 . 1 1 13 13 SER CB C 13 63.380 63.380 62.980 0.400 19998 2573 1 14 . 1 1 13 13 SER H H 13 7.785 7.785 8.454 -0.669 19998 2574 1 14 . 1 1 14 14 ASN N N 14 120.660 120.660 118.920 1.740 19998 2575 1 14 . 1 1 14 14 ASN HA H 14 4.638 4.638 4.863 -0.225 19998 2576 1 14 . 1 1 14 14 ASN C C 14 171.412 171.412 173.292 -1.880 19998 2577 1 14 . 1 1 14 14 ASN CA C 14 52.806 52.806 52.195 0.611 19998 2578 1 14 . 1 1 14 14 ASN CB C 14 37.810 37.810 39.757 -1.947 19998 2579 1 14 . 1 1 14 14 ASN H H 14 7.613 7.613 7.650 -0.037 19998 2580 1 14 . 1 1 15 15 ASP N N 15 124.062 124.062 122.216 1.846 19998 2581 1 14 . 1 1 15 15 ASP HA H 15 4.110 4.110 4.518 -0.408 19998 2582 1 14 . 1 1 15 15 ASP C C 15 174.918 174.918 175.402 -0.484 19998 2583 1 14 . 1 1 15 15 ASP CA C 15 55.774 55.774 55.164 0.610 19998 2584 1 14 . 1 1 15 15 ASP CB C 15 41.360 41.360 41.238 0.122 19998 2585 1 14 . 1 1 15 15 ASP H H 15 8.695 8.695 8.214 0.481 19998 2586 1 14 . 1 1 16 16 GLN N N 16 127.008 127.008 124.342 2.666 19998 2587 1 14 . 1 1 16 16 GLN HA H 16 4.613 4.613 4.502 0.111 19998 2588 1 14 . 1 1 16 16 GLN C C 16 173.874 173.874 174.294 -0.420 19998 2589 1 14 . 1 1 16 16 GLN CA C 16 54.522 54.522 54.815 -0.293 19998 2590 1 14 . 1 1 16 16 GLN CB C 16 28.327 28.327 29.462 -1.135 19998 2591 1 14 . 1 1 16 16 GLN H H 16 8.041 8.041 8.523 -0.482 19998 2592 1 14 . 1 1 17 17 CYS N N 17 122.234 122.234 118.598 3.636 19998 2593 1 14 . 1 1 17 17 CYS HA H 17 4.983 4.983 4.805 0.178 19998 2594 1 14 . 1 1 17 17 CYS C C 17 173.908 173.908 174.803 -0.895 19998 2595 1 14 . 1 1 17 17 CYS CA C 17 56.486 56.486 57.728 -1.242 19998 2596 1 14 . 1 1 17 17 CYS CB C 17 38.906 38.906 30.838 8.068 19998 2597 1 14 . 1 1 17 17 CYS H H 17 9.314 9.314 8.009 1.305 19998 2598 1 14 . 1 1 18 18 CYS N N 18 118.883 118.883 122.613 -3.730 19998 2599 1 14 . 1 1 18 18 CYS HA H 18 4.608 4.608 4.533 0.075 19998 2600 1 14 . 1 1 18 18 CYS C C 18 172.722 172.722 176.022 -3.300 19998 2601 1 14 . 1 1 18 18 CYS CA C 18 55.521 55.521 59.060 -3.539 19998 2602 1 14 . 1 1 18 18 CYS CB C 18 41.367 41.367 26.075 15.292 19998 2603 1 14 . 1 1 18 18 CYS H H 18 9.192 9.192 8.569 0.623 19998 2604 1 14 . 1 1 19 19 LYS N N 19 131.730 131.730 126.933 4.797 19998 2605 1 14 . 1 1 19 19 LYS HA H 19 4.332 4.332 4.084 0.248 19998 2606 1 14 . 1 1 19 19 LYS C C 19 177.997 177.997 178.843 -0.846 19998 2607 1 14 . 1 1 19 19 LYS CA C 19 58.426 58.426 58.827 -0.401 19998 2608 1 14 . 1 1 19 19 LYS CB C 19 31.319 31.319 32.173 -0.854 19998 2609 1 14 . 1 1 19 19 LYS H H 19 8.890 8.890 8.507 0.383 19998 2610 1 14 . 1 1 20 20 SER N N 20 115.887 115.887 114.717 1.170 19998 2611 1 14 . 1 1 20 20 SER HA H 20 4.334 4.334 4.273 0.061 19998 2612 1 14 . 1 1 20 20 SER C C 20 172.946 172.946 175.771 -2.825 19998 2613 1 14 . 1 1 20 20 SER CA C 20 60.311 60.311 60.787 -0.476 19998 2614 1 14 . 1 1 20 20 SER CB C 20 62.327 62.327 62.490 -0.163 19998 2615 1 14 . 1 1 20 20 SER H H 20 8.856 8.856 8.467 0.389 19998 2616 1 14 . 1 1 21 21 SER N N 21 116.191 116.191 116.091 0.100 19998 2617 1 14 . 1 1 21 21 SER HA H 21 4.833 4.833 4.608 0.225 19998 2618 1 14 . 1 1 21 21 SER C C 21 170.505 170.505 173.010 -2.505 19998 2619 1 14 . 1 1 21 21 SER CA C 21 57.500 57.500 57.888 -0.388 19998 2620 1 14 . 1 1 21 21 SER CB C 21 63.852 63.852 63.615 0.236 19998 2621 1 14 . 1 1 21 21 SER H H 21 7.068 7.068 7.509 -0.441 19998 2622 1 14 . 1 1 22 22 SER N N 22 111.723 111.723 117.211 -5.488 19998 2623 1 14 . 1 1 22 22 SER HA H 22 4.099 4.099 4.128 -0.029 19998 2624 1 14 . 1 1 22 22 SER C C 22 170.369 170.369 172.848 -2.479 19998 2625 1 14 . 1 1 22 22 SER CA C 22 59.140 59.140 59.446 -0.306 19998 2626 1 14 . 1 1 22 22 SER CB C 22 61.339 61.339 61.945 -0.606 19998 2627 1 14 . 1 1 22 22 SER H H 22 8.113 8.113 8.203 -0.090 19998 2628 1 14 . 1 1 23 23 LEU N N 23 115.988 115.988 120.211 -4.223 19998 2629 1 14 . 1 1 23 23 LEU HA H 23 4.898 4.898 4.922 -0.024 19998 2630 1 14 . 1 1 23 23 LEU C C 23 173.712 173.712 175.400 -1.688 19998 2631 1 14 . 1 1 23 23 LEU CA C 23 53.083 53.083 53.371 -0.288 19998 2632 1 14 . 1 1 23 23 LEU CB C 23 46.062 46.062 45.369 0.693 19998 2633 1 14 . 1 1 23 23 LEU H H 23 7.111 7.111 7.548 -0.437 19998 2634 1 14 . 1 1 24 24 ALA N N 24 119.898 119.898 119.878 0.020 19998 2635 1 14 . 1 1 24 24 ALA HA H 24 4.466 4.466 4.707 -0.241 19998 2636 1 14 . 1 1 24 24 ALA C C 24 173.491 173.491 174.733 -1.242 19998 2637 1 14 . 1 1 24 24 ALA CA C 24 51.167 51.167 51.514 -0.347 19998 2638 1 14 . 1 1 24 24 ALA CB C 24 23.237 23.237 21.788 1.449 19998 2639 1 14 . 1 1 24 24 ALA H H 24 8.904 8.904 7.845 1.059 19998 2640 1 14 . 1 1 25 25 CYS N N 25 122.945 122.945 121.241 1.704 19998 2641 1 14 . 1 1 25 25 CYS HA H 25 4.452 4.452 4.999 -0.547 19998 2642 1 14 . 1 1 25 25 CYS C C 25 171.574 171.574 174.979 -3.405 19998 2643 1 14 . 1 1 25 25 CYS CA C 25 56.132 56.132 58.276 -2.144 19998 2644 1 14 . 1 1 25 25 CYS CB C 25 39.179 39.179 26.525 12.654 19998 2645 1 14 . 1 1 25 25 CYS H H 25 9.847 9.847 8.437 1.410 19998 2646 1 14 . 1 1 26 26 SER N N 26 122.285 122.285 123.211 -0.926 19998 2647 1 14 . 1 1 26 26 SER HA H 26 4.543 4.543 4.741 -0.198 19998 2648 1 14 . 1 1 26 26 SER CA C 26 57.773 57.773 57.139 0.634 19998 2649 1 14 . 1 1 26 26 SER CB C 26 63.789 63.789 65.553 -1.764 19998 2650 1 14 . 1 1 26 26 SER H H 26 7.791 7.791 8.382 -0.591 19998 2651 1 14 . 1 1 27 27 THR N N 27 122.390 122.390 120.063 2.327 19998 2652 1 14 . 1 1 27 27 THR HA H 27 3.778 3.778 4.261 -0.483 19998 2653 1 14 . 1 1 27 27 THR C C 27 172.781 172.781 175.200 -2.419 19998 2654 1 14 . 1 1 27 27 THR CA C 27 65.390 65.390 64.345 1.045 19998 2655 1 14 . 1 1 27 27 THR CB C 27 68.458 68.458 68.773 -0.315 19998 2656 1 14 . 1 1 27 27 THR H H 27 8.874 8.874 8.698 0.176 19998 2657 1 14 . 1 1 28 28 LYS N N 28 118.883 118.883 120.992 -2.109 19998 2658 1 14 . 1 1 28 28 LYS HA H 28 4.031 4.031 4.151 -0.120 19998 2659 1 14 . 1 1 28 28 LYS C C 28 174.613 174.613 176.908 -2.295 19998 2660 1 14 . 1 1 28 28 LYS CA C 28 57.799 57.799 58.596 -0.797 19998 2661 1 14 . 1 1 28 28 LYS CB C 28 33.164 33.164 32.541 0.623 19998 2662 1 14 . 1 1 28 28 LYS H H 28 7.609 7.609 7.993 -0.384 19998 2663 1 14 . 1 1 29 29 HIS N N 29 113.398 113.398 114.778 -1.380 19998 2664 1 14 . 1 1 29 29 HIS HA H 29 4.284 4.284 4.633 -0.349 19998 2665 1 14 . 1 1 29 29 HIS CA C 29 55.586 55.586 55.406 0.180 19998 2666 1 14 . 1 1 29 29 HIS CB C 29 29.062 29.062 30.655 -1.593 19998 2667 1 14 . 1 1 29 29 HIS H H 29 7.450 7.450 8.002 -0.552 19998 2668 1 14 . 1 1 30 30 LYS N N 30 116.344 116.344 119.075 -2.731 19998 2669 1 14 . 1 1 30 30 LYS HA H 30 3.888 3.888 4.218 -0.330 19998 2670 1 14 . 1 1 30 30 LYS CA C 30 57.500 57.500 57.352 0.148 19998 2671 1 14 . 1 1 30 30 LYS CB C 30 29.609 29.609 30.643 -1.034 19998 2672 1 14 . 1 1 30 30 LYS H H 30 8.261 8.261 8.434 -0.173 19998 2673 1 14 . 1 1 31 31 TRP N N 31 117.766 117.766 114.901 2.865 19998 2674 1 14 . 1 1 31 31 TRP HA H 31 5.477 5.477 5.018 0.459 19998 2675 1 14 . 1 1 31 31 TRP C C 31 174.754 174.754 174.406 0.348 19998 2676 1 14 . 1 1 31 31 TRP CA C 31 55.756 55.756 54.222 1.534 19998 2677 1 14 . 1 1 31 31 TRP CB C 31 30.976 30.976 29.811 1.165 19998 2678 1 14 . 1 1 31 31 TRP H H 31 8.483 8.483 7.752 0.731 19998 2679 1 14 . 1 1 32 32 CYS N N 32 118.984 118.984 123.014 -4.030 19998 2680 1 14 . 1 1 32 32 CYS HA H 32 4.747 4.747 4.316 0.431 19998 2681 1 14 . 1 1 32 32 CYS C C 32 171.472 171.472 174.748 -3.276 19998 2682 1 14 . 1 1 32 32 CYS CA C 32 54.733 54.733 59.194 -4.461 19998 2683 1 14 . 1 1 32 32 CYS CB C 32 39.524 39.524 24.575 14.949 19998 2684 1 14 . 1 1 32 32 CYS H H 32 8.474 8.474 8.415 0.059 19998 2685 1 14 . 1 1 33 33 LYS N N 33 124.672 124.672 123.886 0.786 19998 2686 1 14 . 1 1 33 33 LYS HA H 33 4.717 4.717 4.137 0.580 19998 2687 1 14 . 1 1 33 33 LYS C C 33 172.236 172.236 175.488 -3.252 19998 2688 1 14 . 1 1 33 33 LYS CA C 33 54.730 54.730 54.126 0.604 19998 2689 1 14 . 1 1 33 33 LYS CB C 33 35.429 35.429 33.881 1.548 19998 2690 1 14 . 1 1 33 33 LYS H H 33 9.027 9.027 8.312 0.715 19998 2691 1 14 . 1 1 34 34 TYR N N 34 120.102 120.102 123.316 -3.214 19998 2692 1 14 . 1 1 34 34 TYR HA H 34 4.878 4.878 4.568 0.310 19998 2693 1 14 . 1 1 34 34 TYR C C 34 174.034 174.034 176.786 -2.752 19998 2694 1 14 . 1 1 34 34 TYR CA C 34 59.262 59.262 58.924 0.338 19998 2695 1 14 . 1 1 34 34 TYR CB C 34 38.633 38.633 38.026 0.607 19998 2696 1 14 . 1 1 34 34 TYR H H 34 8.092 8.092 8.771 -0.679 19998 2697 1 14 . 1 1 35 35 GLU N N 35 124.362 124.362 125.721 -1.359 19998 2698 1 14 . 1 1 35 35 GLU HA H 35 4.462 4.462 4.439 0.023 19998 2699 1 14 . 1 1 35 35 GLU C C 35 172.127 172.127 175.687 -3.560 19998 2700 1 14 . 1 1 35 35 GLU CA C 35 56.267 56.267 55.892 0.375 19998 2701 1 14 . 1 1 35 35 GLU CB C 35 30.852 30.852 30.120 0.732 19998 2702 1 14 . 1 1 35 35 GLU H H 35 8.754 8.754 8.492 0.262 19998 2703 1 15 . 1 1 2 2 ALA N N 2 123.910 123.910 123.198 0.712 19998 2704 1 15 . 1 1 2 2 ALA HA H 2 4.464 4.464 4.687 -0.223 19998 2705 1 15 . 1 1 2 2 ALA C C 2 174.673 174.673 176.011 -1.338 19998 2706 1 15 . 1 1 2 2 ALA CA C 2 52.168 52.168 52.205 -0.037 19998 2707 1 15 . 1 1 2 2 ALA CB C 2 19.690 19.690 18.766 0.924 19998 2708 1 15 . 1 1 2 2 ALA H H 2 8.561 8.561 8.132 0.429 19998 2709 1 15 . 1 1 3 3 CYS N N 3 117.207 117.207 118.911 -1.704 19998 2710 1 15 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.662 0.303 19998 2711 1 15 . 1 1 3 3 CYS C C 3 170.808 170.808 172.812 -2.004 19998 2712 1 15 . 1 1 3 3 CYS CA C 3 54.754 54.754 57.140 -2.386 19998 2713 1 15 . 1 1 3 3 CYS CB C 3 44.067 44.067 29.380 14.687 19998 2714 1 15 . 1 1 3 3 CYS H H 3 8.335 8.335 8.154 0.181 19998 2715 1 15 . 1 1 4 4 LEU N N 4 121.828 121.828 122.877 -1.049 19998 2716 1 15 . 1 1 4 4 LEU HA H 4 4.345 4.345 4.607 -0.262 19998 2717 1 15 . 1 1 4 4 LEU C C 4 172.234 172.234 177.213 -4.979 19998 2718 1 15 . 1 1 4 4 LEU CA C 4 54.223 54.223 54.054 0.168 19998 2719 1 15 . 1 1 4 4 LEU CB C 4 44.578 44.578 43.510 1.068 19998 2720 1 15 . 1 1 4 4 LEU H H 4 8.815 8.815 8.425 0.390 19998 2721 1 15 . 1 1 5 5 GLY N N 5 107.508 107.508 110.457 -2.949 19998 2722 1 15 . 1 1 5 5 GLY C C 5 169.768 169.768 173.399 -3.631 19998 2723 1 15 . 1 1 5 5 GLY CA C 5 43.052 43.052 43.968 -0.916 19998 2724 1 15 . 1 1 5 5 GLY H H 5 7.999 7.999 8.302 -0.303 19998 2725 1 15 . 1 1 6 6 PHE N N 6 116.953 116.953 120.055 -3.102 19998 2726 1 15 . 1 1 6 6 PHE HA H 6 3.619 3.619 4.002 -0.383 19998 2727 1 15 . 1 1 6 6 PHE C C 6 174.967 174.967 177.062 -2.095 19998 2728 1 15 . 1 1 6 6 PHE CA C 6 60.101 60.101 58.595 1.506 19998 2729 1 15 . 1 1 6 6 PHE CB C 6 39.506 39.506 39.337 0.168 19998 2730 1 15 . 1 1 6 6 PHE H H 6 8.392 8.392 8.364 0.028 19998 2731 1 15 . 1 1 7 7 GLY N N 7 115.074 115.074 115.424 -0.350 19998 2732 1 15 . 1 1 7 7 GLY C C 7 171.017 171.017 173.675 -2.658 19998 2733 1 15 . 1 1 7 7 GLY CA C 7 44.844 44.844 44.876 -0.032 19998 2734 1 15 . 1 1 7 7 GLY H H 7 8.645 8.645 7.501 1.144 19998 2735 1 15 . 1 1 8 8 LYS N N 8 120.051 120.051 120.531 -0.480 19998 2736 1 15 . 1 1 8 8 LYS HA H 8 4.313 4.313 4.614 -0.301 19998 2737 1 15 . 1 1 8 8 LYS C C 8 173.878 173.878 176.012 -2.134 19998 2738 1 15 . 1 1 8 8 LYS CA C 8 54.570 54.570 54.125 0.445 19998 2739 1 15 . 1 1 8 8 LYS CB C 8 32.391 32.391 34.149 -1.758 19998 2740 1 15 . 1 1 8 8 LYS H H 8 7.429 7.429 7.365 0.064 19998 2741 1 15 . 1 1 9 9 SER N N 9 117.004 117.004 117.457 -0.453 19998 2742 1 15 . 1 1 9 9 SER HA H 9 4.315 4.315 4.659 -0.344 19998 2743 1 15 . 1 1 9 9 SER C C 9 170.486 170.486 174.299 -3.813 19998 2744 1 15 . 1 1 9 9 SER CB C 9 63.355 63.355 62.909 0.446 19998 2745 1 15 . 1 1 9 9 SER H H 9 8.542 8.542 8.521 0.021 19998 2746 1 15 . 1 1 10 10 CYS N N 10 119.238 119.238 121.507 -2.269 19998 2747 1 15 . 1 1 10 10 CYS HA H 10 4.833 4.833 4.778 0.055 19998 2748 1 15 . 1 1 10 10 CYS C C 10 168.106 168.106 173.663 -5.557 19998 2749 1 15 . 1 1 10 10 CYS CA C 10 53.907 53.907 55.996 -2.089 19998 2750 1 15 . 1 1 10 10 CYS CB C 10 45.841 45.841 30.275 15.566 19998 2751 1 15 . 1 1 10 10 CYS H H 10 8.188 8.188 8.567 -0.379 19998 2752 1 15 . 1 1 11 11 ASN N N 11 119.594 119.594 119.032 0.562 19998 2753 1 15 . 1 1 11 11 ASN HA H 11 5.124 5.124 5.202 -0.078 19998 2754 1 15 . 1 1 11 11 ASN CA C 11 48.476 48.476 49.526 -1.050 19998 2755 1 15 . 1 1 11 11 ASN CB C 11 40.000 40.000 40.191 -0.192 19998 2756 1 15 . 1 1 11 11 ASN H H 11 9.129 9.129 8.618 0.511 19998 2757 1 15 . 1 1 12 12 PRO HA H 12 3.848 3.848 4.470 -0.622 19998 2758 1 15 . 1 1 12 12 PRO C C 12 174.197 174.197 178.414 -4.217 19998 2759 1 15 . 1 1 12 12 PRO CA C 12 64.689 64.689 65.050 -0.361 19998 2760 1 15 . 1 1 12 12 PRO CB C 12 31.883 31.883 32.245 -0.362 19998 2761 1 15 . 1 1 13 13 SER N N 13 110.351 110.351 112.390 -2.039 19998 2762 1 15 . 1 1 13 13 SER HA H 13 4.394 4.394 4.253 0.141 19998 2763 1 15 . 1 1 13 13 SER C C 13 170.980 170.980 174.037 -3.057 19998 2764 1 15 . 1 1 13 13 SER CA C 13 59.326 59.326 60.093 -0.767 19998 2765 1 15 . 1 1 13 13 SER CB C 13 63.380 63.380 63.110 0.270 19998 2766 1 15 . 1 1 13 13 SER H H 13 7.785 7.785 8.409 -0.624 19998 2767 1 15 . 1 1 14 14 ASN N N 14 120.660 120.660 117.826 2.834 19998 2768 1 15 . 1 1 14 14 ASN HA H 14 4.638 4.638 4.885 -0.247 19998 2769 1 15 . 1 1 14 14 ASN C C 14 171.412 171.412 173.511 -2.099 19998 2770 1 15 . 1 1 14 14 ASN CA C 14 52.806 52.806 51.694 1.112 19998 2771 1 15 . 1 1 14 14 ASN CB C 14 37.810 37.810 38.874 -1.065 19998 2772 1 15 . 1 1 14 14 ASN H H 14 7.613 7.613 7.799 -0.186 19998 2773 1 15 . 1 1 15 15 ASP N N 15 124.062 124.062 121.046 3.016 19998 2774 1 15 . 1 1 15 15 ASP HA H 15 4.110 4.110 4.508 -0.398 19998 2775 1 15 . 1 1 15 15 ASP C C 15 174.918 174.918 175.657 -0.739 19998 2776 1 15 . 1 1 15 15 ASP CA C 15 55.774 55.774 54.697 1.077 19998 2777 1 15 . 1 1 15 15 ASP CB C 15 41.360 41.360 40.744 0.616 19998 2778 1 15 . 1 1 15 15 ASP H H 15 8.695 8.695 7.982 0.713 19998 2779 1 15 . 1 1 16 16 GLN N N 16 127.008 127.008 122.032 4.976 19998 2780 1 15 . 1 1 16 16 GLN HA H 16 4.613 4.613 4.631 -0.018 19998 2781 1 15 . 1 1 16 16 GLN C C 16 173.874 173.874 174.115 -0.241 19998 2782 1 15 . 1 1 16 16 GLN CA C 16 54.522 54.522 54.840 -0.318 19998 2783 1 15 . 1 1 16 16 GLN CB C 16 28.327 28.327 28.902 -0.576 19998 2784 1 15 . 1 1 16 16 GLN H H 16 8.041 8.041 8.626 -0.585 19998 2785 1 15 . 1 1 17 17 CYS N N 17 122.234 122.234 118.142 4.092 19998 2786 1 15 . 1 1 17 17 CYS HA H 17 4.983 4.983 4.855 0.128 19998 2787 1 15 . 1 1 17 17 CYS C C 17 173.908 173.908 174.654 -0.746 19998 2788 1 15 . 1 1 17 17 CYS CA C 17 56.486 56.486 57.878 -1.392 19998 2789 1 15 . 1 1 17 17 CYS CB C 17 38.906 38.906 31.086 7.820 19998 2790 1 15 . 1 1 17 17 CYS H H 17 9.314 9.314 8.091 1.223 19998 2791 1 15 . 1 1 18 18 CYS N N 18 118.883 118.883 122.382 -3.499 19998 2792 1 15 . 1 1 18 18 CYS HA H 18 4.608 4.608 4.555 0.053 19998 2793 1 15 . 1 1 18 18 CYS C C 18 172.722 172.722 176.142 -3.420 19998 2794 1 15 . 1 1 18 18 CYS CA C 18 55.521 55.521 59.136 -3.615 19998 2795 1 15 . 1 1 18 18 CYS CB C 18 41.367 41.367 26.164 15.203 19998 2796 1 15 . 1 1 18 18 CYS H H 18 9.192 9.192 8.516 0.676 19998 2797 1 15 . 1 1 19 19 LYS N N 19 131.730 131.730 127.200 4.530 19998 2798 1 15 . 1 1 19 19 LYS HA H 19 4.332 4.332 4.076 0.256 19998 2799 1 15 . 1 1 19 19 LYS C C 19 177.997 177.997 179.016 -1.019 19998 2800 1 15 . 1 1 19 19 LYS CA C 19 58.426 58.426 58.832 -0.406 19998 2801 1 15 . 1 1 19 19 LYS CB C 19 31.319 31.319 32.136 -0.817 19998 2802 1 15 . 1 1 19 19 LYS H H 19 8.890 8.890 8.575 0.315 19998 2803 1 15 . 1 1 20 20 SER N N 20 115.887 115.887 115.234 0.653 19998 2804 1 15 . 1 1 20 20 SER HA H 20 4.334 4.334 4.264 0.070 19998 2805 1 15 . 1 1 20 20 SER C C 20 172.946 172.946 175.766 -2.820 19998 2806 1 15 . 1 1 20 20 SER CA C 20 60.311 60.311 60.703 -0.392 19998 2807 1 15 . 1 1 20 20 SER CB C 20 62.327 62.327 62.815 -0.488 19998 2808 1 15 . 1 1 20 20 SER H H 20 8.856 8.856 8.311 0.545 19998 2809 1 15 . 1 1 21 21 SER N N 21 116.191 116.191 115.438 0.753 19998 2810 1 15 . 1 1 21 21 SER HA H 21 4.833 4.833 4.540 0.293 19998 2811 1 15 . 1 1 21 21 SER C C 21 170.505 170.505 173.054 -2.549 19998 2812 1 15 . 1 1 21 21 SER CA C 21 57.500 57.500 57.765 -0.265 19998 2813 1 15 . 1 1 21 21 SER CB C 21 63.852 63.852 63.586 0.266 19998 2814 1 15 . 1 1 21 21 SER H H 21 7.068 7.068 7.488 -0.420 19998 2815 1 15 . 1 1 22 22 SER N N 22 111.723 111.723 116.456 -4.733 19998 2816 1 15 . 1 1 22 22 SER HA H 22 4.099 4.099 4.133 -0.034 19998 2817 1 15 . 1 1 22 22 SER C C 22 170.369 170.369 173.230 -2.861 19998 2818 1 15 . 1 1 22 22 SER CA C 22 59.140 59.140 59.434 -0.294 19998 2819 1 15 . 1 1 22 22 SER CB C 22 61.339 61.339 61.949 -0.610 19998 2820 1 15 . 1 1 22 22 SER H H 22 8.113 8.113 8.105 0.008 19998 2821 1 15 . 1 1 23 23 LEU N N 23 115.988 115.988 119.161 -3.173 19998 2822 1 15 . 1 1 23 23 LEU HA H 23 4.898 4.898 4.889 0.009 19998 2823 1 15 . 1 1 23 23 LEU C C 23 173.712 173.712 175.613 -1.901 19998 2824 1 15 . 1 1 23 23 LEU CA C 23 53.083 53.083 53.410 -0.327 19998 2825 1 15 . 1 1 23 23 LEU CB C 23 46.062 46.062 45.299 0.763 19998 2826 1 15 . 1 1 23 23 LEU H H 23 7.111 7.111 7.581 -0.470 19998 2827 1 15 . 1 1 24 24 ALA N N 24 119.898 119.898 120.910 -1.012 19998 2828 1 15 . 1 1 24 24 ALA HA H 24 4.466 4.466 4.648 -0.182 19998 2829 1 15 . 1 1 24 24 ALA C C 24 173.491 173.491 174.731 -1.240 19998 2830 1 15 . 1 1 24 24 ALA CA C 24 51.167 51.167 51.745 -0.578 19998 2831 1 15 . 1 1 24 24 ALA CB C 24 23.237 23.237 21.614 1.623 19998 2832 1 15 . 1 1 24 24 ALA H H 24 8.904 8.904 7.777 1.127 19998 2833 1 15 . 1 1 25 25 CYS N N 25 122.945 122.945 121.388 1.557 19998 2834 1 15 . 1 1 25 25 CYS HA H 25 4.452 4.452 4.992 -0.540 19998 2835 1 15 . 1 1 25 25 CYS C C 25 171.574 171.574 174.957 -3.383 19998 2836 1 15 . 1 1 25 25 CYS CA C 25 56.132 56.132 57.819 -1.687 19998 2837 1 15 . 1 1 25 25 CYS CB C 25 39.179 39.179 26.654 12.525 19998 2838 1 15 . 1 1 25 25 CYS H H 25 9.847 9.847 8.622 1.225 19998 2839 1 15 . 1 1 26 26 SER N N 26 122.285 122.285 123.220 -0.935 19998 2840 1 15 . 1 1 26 26 SER HA H 26 4.543 4.543 4.724 -0.181 19998 2841 1 15 . 1 1 26 26 SER CA C 26 57.773 57.773 57.375 0.398 19998 2842 1 15 . 1 1 26 26 SER CB C 26 63.789 63.789 65.436 -1.647 19998 2843 1 15 . 1 1 26 26 SER H H 26 7.791 7.791 8.395 -0.604 19998 2844 1 15 . 1 1 27 27 THR N N 27 122.390 122.390 120.000 2.390 19998 2845 1 15 . 1 1 27 27 THR HA H 27 3.778 3.778 4.229 -0.451 19998 2846 1 15 . 1 1 27 27 THR C C 27 172.781 172.781 175.151 -2.370 19998 2847 1 15 . 1 1 27 27 THR CA C 27 65.390 65.390 64.125 1.265 19998 2848 1 15 . 1 1 27 27 THR CB C 27 68.458 68.458 68.861 -0.402 19998 2849 1 15 . 1 1 27 27 THR H H 27 8.874 8.874 8.673 0.201 19998 2850 1 15 . 1 1 28 28 LYS N N 28 118.883 118.883 120.472 -1.589 19998 2851 1 15 . 1 1 28 28 LYS HA H 28 4.031 4.031 4.256 -0.225 19998 2852 1 15 . 1 1 28 28 LYS C C 28 174.613 174.613 177.225 -2.612 19998 2853 1 15 . 1 1 28 28 LYS CA C 28 57.799 57.799 58.538 -0.739 19998 2854 1 15 . 1 1 28 28 LYS CB C 28 33.164 33.164 32.565 0.599 19998 2855 1 15 . 1 1 28 28 LYS H H 28 7.609 7.609 8.105 -0.496 19998 2856 1 15 . 1 1 29 29 HIS N N 29 113.398 113.398 115.209 -1.811 19998 2857 1 15 . 1 1 29 29 HIS HA H 29 4.284 4.284 4.627 -0.343 19998 2858 1 15 . 1 1 29 29 HIS CA C 29 55.586 55.586 55.458 0.128 19998 2859 1 15 . 1 1 29 29 HIS CB C 29 29.062 29.062 30.638 -1.576 19998 2860 1 15 . 1 1 29 29 HIS H H 29 7.450 7.450 8.055 -0.605 19998 2861 1 15 . 1 1 30 30 LYS N N 30 116.344 116.344 118.939 -2.595 19998 2862 1 15 . 1 1 30 30 LYS HA H 30 3.888 3.888 4.218 -0.330 19998 2863 1 15 . 1 1 30 30 LYS CA C 30 57.500 57.500 57.329 0.171 19998 2864 1 15 . 1 1 30 30 LYS CB C 30 29.609 29.609 30.684 -1.075 19998 2865 1 15 . 1 1 30 30 LYS H H 30 8.261 8.261 8.423 -0.162 19998 2866 1 15 . 1 1 31 31 TRP N N 31 117.766 117.766 114.887 2.879 19998 2867 1 15 . 1 1 31 31 TRP HA H 31 5.477 5.477 5.001 0.476 19998 2868 1 15 . 1 1 31 31 TRP C C 31 174.754 174.754 174.337 0.417 19998 2869 1 15 . 1 1 31 31 TRP CA C 31 55.756 55.756 54.286 1.470 19998 2870 1 15 . 1 1 31 31 TRP CB C 31 30.976 30.976 29.770 1.206 19998 2871 1 15 . 1 1 31 31 TRP H H 31 8.483 8.483 7.695 0.788 19998 2872 1 15 . 1 1 32 32 CYS N N 32 118.984 118.984 123.083 -4.099 19998 2873 1 15 . 1 1 32 32 CYS HA H 32 4.747 4.747 4.295 0.452 19998 2874 1 15 . 1 1 32 32 CYS C C 32 171.472 171.472 174.681 -3.209 19998 2875 1 15 . 1 1 32 32 CYS CA C 32 54.733 54.733 59.211 -4.478 19998 2876 1 15 . 1 1 32 32 CYS CB C 32 39.524 39.524 24.587 14.937 19998 2877 1 15 . 1 1 32 32 CYS H H 32 8.474 8.474 8.396 0.078 19998 2878 1 15 . 1 1 33 33 LYS N N 33 124.672 124.672 123.917 0.755 19998 2879 1 15 . 1 1 33 33 LYS HA H 33 4.717 4.717 4.155 0.562 19998 2880 1 15 . 1 1 33 33 LYS C C 33 172.236 172.236 175.464 -3.228 19998 2881 1 15 . 1 1 33 33 LYS CA C 33 54.730 54.730 54.014 0.716 19998 2882 1 15 . 1 1 33 33 LYS CB C 33 35.429 35.429 34.014 1.415 19998 2883 1 15 . 1 1 33 33 LYS H H 33 9.027 9.027 8.353 0.674 19998 2884 1 15 . 1 1 34 34 TYR N N 34 120.102 120.102 122.730 -2.628 19998 2885 1 15 . 1 1 34 34 TYR HA H 34 4.878 4.878 4.583 0.295 19998 2886 1 15 . 1 1 34 34 TYR C C 34 174.034 174.034 176.757 -2.723 19998 2887 1 15 . 1 1 34 34 TYR CA C 34 59.262 59.262 58.967 0.295 19998 2888 1 15 . 1 1 34 34 TYR CB C 34 38.633 38.633 38.073 0.560 19998 2889 1 15 . 1 1 34 34 TYR H H 34 8.092 8.092 8.743 -0.651 19998 2890 1 15 . 1 1 35 35 GLU N N 35 124.362 124.362 126.054 -1.692 19998 2891 1 15 . 1 1 35 35 GLU HA H 35 4.462 4.462 4.464 -0.002 19998 2892 1 15 . 1 1 35 35 GLU C C 35 172.127 172.127 175.220 -3.093 19998 2893 1 15 . 1 1 35 35 GLU CA C 35 56.267 56.267 56.036 0.231 19998 2894 1 15 . 1 1 35 35 GLU CB C 35 30.852 30.852 30.279 0.574 19998 2895 1 15 . 1 1 35 35 GLU H H 35 8.754 8.754 8.648 0.106 19998 2896 1 16 . 1 1 2 2 ALA N N 2 123.910 123.910 124.671 -0.761 19998 2897 1 16 . 1 1 2 2 ALA HA H 2 4.464 4.464 4.761 -0.297 19998 2898 1 16 . 1 1 2 2 ALA C C 2 174.673 174.673 176.246 -1.573 19998 2899 1 16 . 1 1 2 2 ALA CA C 2 52.168 52.168 52.210 -0.042 19998 2900 1 16 . 1 1 2 2 ALA CB C 2 19.690 19.690 19.203 0.487 19998 2901 1 16 . 1 1 2 2 ALA H H 2 8.561 8.561 8.199 0.362 19998 2902 1 16 . 1 1 3 3 CYS N N 3 117.207 117.207 118.809 -1.602 19998 2903 1 16 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.648 0.317 19998 2904 1 16 . 1 1 3 3 CYS C C 3 170.808 170.808 172.671 -1.863 19998 2905 1 16 . 1 1 3 3 CYS CA C 3 54.754 54.754 57.286 -2.532 19998 2906 1 16 . 1 1 3 3 CYS CB C 3 44.067 44.067 29.213 14.854 19998 2907 1 16 . 1 1 3 3 CYS H H 3 8.335 8.335 8.132 0.203 19998 2908 1 16 . 1 1 4 4 LEU N N 4 121.828 121.828 122.758 -0.930 19998 2909 1 16 . 1 1 4 4 LEU HA H 4 4.345 4.345 4.607 -0.262 19998 2910 1 16 . 1 1 4 4 LEU C C 4 172.234 172.234 177.240 -5.006 19998 2911 1 16 . 1 1 4 4 LEU CA C 4 54.223 54.223 54.045 0.178 19998 2912 1 16 . 1 1 4 4 LEU CB C 4 44.578 44.578 43.844 0.734 19998 2913 1 16 . 1 1 4 4 LEU H H 4 8.815 8.815 8.377 0.438 19998 2914 1 16 . 1 1 5 5 GLY N N 5 107.508 107.508 110.490 -2.982 19998 2915 1 16 . 1 1 5 5 GLY C C 5 169.768 169.768 173.418 -3.650 19998 2916 1 16 . 1 1 5 5 GLY CA C 5 43.052 43.052 44.028 -0.976 19998 2917 1 16 . 1 1 5 5 GLY H H 5 7.999 7.999 8.323 -0.324 19998 2918 1 16 . 1 1 6 6 PHE N N 6 116.953 116.953 120.818 -3.865 19998 2919 1 16 . 1 1 6 6 PHE HA H 6 3.619 3.619 3.991 -0.372 19998 2920 1 16 . 1 1 6 6 PHE C C 6 174.967 174.967 176.747 -1.780 19998 2921 1 16 . 1 1 6 6 PHE CA C 6 60.101 60.101 58.968 1.133 19998 2922 1 16 . 1 1 6 6 PHE CB C 6 39.506 39.506 39.053 0.453 19998 2923 1 16 . 1 1 6 6 PHE H H 6 8.392 8.392 8.532 -0.140 19998 2924 1 16 . 1 1 7 7 GLY N N 7 115.074 115.074 115.668 -0.594 19998 2925 1 16 . 1 1 7 7 GLY C C 7 171.017 171.017 173.923 -2.906 19998 2926 1 16 . 1 1 7 7 GLY CA C 7 44.844 44.844 44.836 0.009 19998 2927 1 16 . 1 1 7 7 GLY H H 7 8.645 8.645 7.404 1.241 19998 2928 1 16 . 1 1 8 8 LYS N N 8 120.051 120.051 120.521 -0.470 19998 2929 1 16 . 1 1 8 8 LYS HA H 8 4.313 4.313 4.602 -0.289 19998 2930 1 16 . 1 1 8 8 LYS C C 8 173.878 173.878 175.936 -2.058 19998 2931 1 16 . 1 1 8 8 LYS CA C 8 54.570 54.570 54.212 0.359 19998 2932 1 16 . 1 1 8 8 LYS CB C 8 32.391 32.391 34.163 -1.772 19998 2933 1 16 . 1 1 8 8 LYS H H 8 7.429 7.429 7.365 0.064 19998 2934 1 16 . 1 1 9 9 SER N N 9 117.004 117.004 117.090 -0.086 19998 2935 1 16 . 1 1 9 9 SER HA H 9 4.315 4.315 4.628 -0.313 19998 2936 1 16 . 1 1 9 9 SER C C 9 170.486 170.486 174.351 -3.865 19998 2937 1 16 . 1 1 9 9 SER CB C 9 63.355 63.355 63.075 0.280 19998 2938 1 16 . 1 1 9 9 SER H H 9 8.542 8.542 8.507 0.035 19998 2939 1 16 . 1 1 10 10 CYS N N 10 119.238 119.238 121.376 -2.138 19998 2940 1 16 . 1 1 10 10 CYS HA H 10 4.833 4.833 4.770 0.063 19998 2941 1 16 . 1 1 10 10 CYS C C 10 168.106 168.106 172.995 -4.889 19998 2942 1 16 . 1 1 10 10 CYS CA C 10 53.907 53.907 55.696 -1.789 19998 2943 1 16 . 1 1 10 10 CYS CB C 10 45.841 45.841 30.346 15.495 19998 2944 1 16 . 1 1 10 10 CYS H H 10 8.188 8.188 8.356 -0.168 19998 2945 1 16 . 1 1 11 11 ASN N N 11 119.594 119.594 118.583 1.011 19998 2946 1 16 . 1 1 11 11 ASN HA H 11 5.124 5.124 5.198 -0.074 19998 2947 1 16 . 1 1 11 11 ASN CA C 11 48.476 48.476 49.788 -1.312 19998 2948 1 16 . 1 1 11 11 ASN CB C 11 40.000 40.000 41.157 -1.157 19998 2949 1 16 . 1 1 11 11 ASN H H 11 9.129 9.129 8.602 0.527 19998 2950 1 16 . 1 1 12 12 PRO HA H 12 3.848 3.848 4.479 -0.631 19998 2951 1 16 . 1 1 12 12 PRO C C 12 174.197 174.197 178.437 -4.240 19998 2952 1 16 . 1 1 12 12 PRO CA C 12 64.689 64.689 64.897 -0.208 19998 2953 1 16 . 1 1 12 12 PRO CB C 12 31.883 31.883 32.279 -0.396 19998 2954 1 16 . 1 1 13 13 SER N N 13 110.351 110.351 112.833 -2.482 19998 2955 1 16 . 1 1 13 13 SER HA H 13 4.394 4.394 4.244 0.150 19998 2956 1 16 . 1 1 13 13 SER C C 13 170.980 170.980 173.951 -2.971 19998 2957 1 16 . 1 1 13 13 SER CA C 13 59.326 59.326 60.074 -0.748 19998 2958 1 16 . 1 1 13 13 SER CB C 13 63.380 63.380 63.070 0.310 19998 2959 1 16 . 1 1 13 13 SER H H 13 7.785 7.785 8.465 -0.680 19998 2960 1 16 . 1 1 14 14 ASN N N 14 120.660 120.660 117.213 3.447 19998 2961 1 16 . 1 1 14 14 ASN HA H 14 4.638 4.638 4.804 -0.166 19998 2962 1 16 . 1 1 14 14 ASN C C 14 171.412 171.412 173.615 -2.203 19998 2963 1 16 . 1 1 14 14 ASN CA C 14 52.806 52.806 52.139 0.667 19998 2964 1 16 . 1 1 14 14 ASN CB C 14 37.810 37.810 39.013 -1.203 19998 2965 1 16 . 1 1 14 14 ASN H H 14 7.613 7.613 7.740 -0.127 19998 2966 1 16 . 1 1 15 15 ASP N N 15 124.062 124.062 121.582 2.480 19998 2967 1 16 . 1 1 15 15 ASP HA H 15 4.110 4.110 4.536 -0.426 19998 2968 1 16 . 1 1 15 15 ASP C C 15 174.918 174.918 175.708 -0.790 19998 2969 1 16 . 1 1 15 15 ASP CA C 15 55.774 55.774 54.905 0.869 19998 2970 1 16 . 1 1 15 15 ASP CB C 15 41.360 41.360 40.683 0.677 19998 2971 1 16 . 1 1 15 15 ASP H H 15 8.695 8.695 8.008 0.687 19998 2972 1 16 . 1 1 16 16 GLN N N 16 127.008 127.008 123.199 3.809 19998 2973 1 16 . 1 1 16 16 GLN HA H 16 4.613 4.613 4.547 0.066 19998 2974 1 16 . 1 1 16 16 GLN C C 16 173.874 173.874 174.359 -0.485 19998 2975 1 16 . 1 1 16 16 GLN CA C 16 54.522 54.522 55.192 -0.670 19998 2976 1 16 . 1 1 16 16 GLN CB C 16 28.327 28.327 29.566 -1.239 19998 2977 1 16 . 1 1 16 16 GLN H H 16 8.041 8.041 8.595 -0.554 19998 2978 1 16 . 1 1 17 17 CYS N N 17 122.234 122.234 118.975 3.259 19998 2979 1 16 . 1 1 17 17 CYS HA H 17 4.983 4.983 4.807 0.176 19998 2980 1 16 . 1 1 17 17 CYS C C 17 173.908 173.908 174.885 -0.977 19998 2981 1 16 . 1 1 17 17 CYS CA C 17 56.486 56.486 57.717 -1.231 19998 2982 1 16 . 1 1 17 17 CYS CB C 17 38.906 38.906 30.508 8.398 19998 2983 1 16 . 1 1 17 17 CYS H H 17 9.314 9.314 8.184 1.130 19998 2984 1 16 . 1 1 18 18 CYS N N 18 118.883 118.883 122.670 -3.787 19998 2985 1 16 . 1 1 18 18 CYS HA H 18 4.608 4.608 4.523 0.085 19998 2986 1 16 . 1 1 18 18 CYS C C 18 172.722 172.722 176.034 -3.312 19998 2987 1 16 . 1 1 18 18 CYS CA C 18 55.521 55.521 59.080 -3.558 19998 2988 1 16 . 1 1 18 18 CYS CB C 18 41.367 41.367 26.018 15.349 19998 2989 1 16 . 1 1 18 18 CYS H H 18 9.192 9.192 8.581 0.611 19998 2990 1 16 . 1 1 19 19 LYS N N 19 131.730 131.730 126.382 5.348 19998 2991 1 16 . 1 1 19 19 LYS HA H 19 4.332 4.332 4.085 0.247 19998 2992 1 16 . 1 1 19 19 LYS C C 19 177.997 177.997 178.932 -0.935 19998 2993 1 16 . 1 1 19 19 LYS CA C 19 58.426 58.426 58.842 -0.416 19998 2994 1 16 . 1 1 19 19 LYS CB C 19 31.319 31.319 32.111 -0.791 19998 2995 1 16 . 1 1 19 19 LYS H H 19 8.890 8.890 8.449 0.441 19998 2996 1 16 . 1 1 20 20 SER N N 20 115.887 115.887 114.782 1.105 19998 2997 1 16 . 1 1 20 20 SER HA H 20 4.334 4.334 4.278 0.056 19998 2998 1 16 . 1 1 20 20 SER C C 20 172.946 172.946 175.717 -2.771 19998 2999 1 16 . 1 1 20 20 SER CA C 20 60.311 60.311 60.704 -0.393 19998 3000 1 16 . 1 1 20 20 SER CB C 20 62.327 62.327 62.715 -0.389 19998 3001 1 16 . 1 1 20 20 SER H H 20 8.856 8.856 8.181 0.675 19998 3002 1 16 . 1 1 21 21 SER N N 21 116.191 116.191 114.851 1.340 19998 3003 1 16 . 1 1 21 21 SER HA H 21 4.833 4.833 4.552 0.281 19998 3004 1 16 . 1 1 21 21 SER C C 21 170.505 170.505 173.339 -2.834 19998 3005 1 16 . 1 1 21 21 SER CA C 21 57.500 57.500 57.836 -0.336 19998 3006 1 16 . 1 1 21 21 SER CB C 21 63.852 63.852 63.467 0.385 19998 3007 1 16 . 1 1 21 21 SER H H 21 7.068 7.068 7.596 -0.528 19998 3008 1 16 . 1 1 22 22 SER N N 22 111.723 111.723 116.600 -4.877 19998 3009 1 16 . 1 1 22 22 SER HA H 22 4.099 4.099 4.145 -0.046 19998 3010 1 16 . 1 1 22 22 SER C C 22 170.369 170.369 173.082 -2.713 19998 3011 1 16 . 1 1 22 22 SER CA C 22 59.140 59.140 59.562 -0.423 19998 3012 1 16 . 1 1 22 22 SER CB C 22 61.339 61.339 61.779 -0.440 19998 3013 1 16 . 1 1 22 22 SER H H 22 8.113 8.113 8.151 -0.038 19998 3014 1 16 . 1 1 23 23 LEU N N 23 115.988 115.988 119.252 -3.264 19998 3015 1 16 . 1 1 23 23 LEU HA H 23 4.898 4.898 4.944 -0.046 19998 3016 1 16 . 1 1 23 23 LEU C C 23 173.712 173.712 175.610 -1.898 19998 3017 1 16 . 1 1 23 23 LEU CA C 23 53.083 53.083 53.379 -0.296 19998 3018 1 16 . 1 1 23 23 LEU CB C 23 46.062 46.062 45.282 0.780 19998 3019 1 16 . 1 1 23 23 LEU H H 23 7.111 7.111 7.548 -0.438 19998 3020 1 16 . 1 1 24 24 ALA N N 24 119.898 119.898 121.621 -1.723 19998 3021 1 16 . 1 1 24 24 ALA HA H 24 4.466 4.466 4.569 -0.103 19998 3022 1 16 . 1 1 24 24 ALA C C 24 173.491 173.491 174.765 -1.274 19998 3023 1 16 . 1 1 24 24 ALA CA C 24 51.167 51.167 51.746 -0.579 19998 3024 1 16 . 1 1 24 24 ALA CB C 24 23.237 23.237 21.790 1.447 19998 3025 1 16 . 1 1 24 24 ALA H H 24 8.904 8.904 7.881 1.023 19998 3026 1 16 . 1 1 25 25 CYS N N 25 122.945 122.945 121.508 1.437 19998 3027 1 16 . 1 1 25 25 CYS HA H 25 4.452 4.452 4.910 -0.458 19998 3028 1 16 . 1 1 25 25 CYS C C 25 171.574 171.574 175.181 -3.607 19998 3029 1 16 . 1 1 25 25 CYS CA C 25 56.132 56.132 57.401 -1.269 19998 3030 1 16 . 1 1 25 25 CYS CB C 25 39.179 39.179 26.536 12.643 19998 3031 1 16 . 1 1 25 25 CYS H H 25 9.847 9.847 8.661 1.186 19998 3032 1 16 . 1 1 26 26 SER N N 26 122.285 122.285 123.972 -1.687 19998 3033 1 16 . 1 1 26 26 SER HA H 26 4.543 4.543 4.758 -0.215 19998 3034 1 16 . 1 1 26 26 SER CA C 26 57.773 57.773 57.343 0.430 19998 3035 1 16 . 1 1 26 26 SER CB C 26 63.789 63.789 65.659 -1.870 19998 3036 1 16 . 1 1 26 26 SER H H 26 7.791 7.791 8.327 -0.536 19998 3037 1 16 . 1 1 27 27 THR N N 27 122.390 122.390 120.674 1.716 19998 3038 1 16 . 1 1 27 27 THR HA H 27 3.778 3.778 4.304 -0.526 19998 3039 1 16 . 1 1 27 27 THR C C 27 172.781 172.781 175.255 -2.474 19998 3040 1 16 . 1 1 27 27 THR CA C 27 65.390 65.390 64.335 1.055 19998 3041 1 16 . 1 1 27 27 THR CB C 27 68.458 68.458 68.599 -0.141 19998 3042 1 16 . 1 1 27 27 THR H H 27 8.874 8.874 8.629 0.245 19998 3043 1 16 . 1 1 28 28 LYS N N 28 118.883 118.883 121.882 -2.999 19998 3044 1 16 . 1 1 28 28 LYS HA H 28 4.031 4.031 4.214 -0.183 19998 3045 1 16 . 1 1 28 28 LYS C C 28 174.613 174.613 177.184 -2.571 19998 3046 1 16 . 1 1 28 28 LYS CA C 28 57.799 57.799 57.690 0.109 19998 3047 1 16 . 1 1 28 28 LYS CB C 28 33.164 33.164 32.238 0.926 19998 3048 1 16 . 1 1 28 28 LYS H H 28 7.609 7.609 8.073 -0.464 19998 3049 1 16 . 1 1 29 29 HIS N N 29 113.398 113.398 116.107 -2.709 19998 3050 1 16 . 1 1 29 29 HIS HA H 29 4.284 4.284 4.654 -0.370 19998 3051 1 16 . 1 1 29 29 HIS CA C 29 55.586 55.586 55.661 -0.075 19998 3052 1 16 . 1 1 29 29 HIS CB C 29 29.062 29.062 30.640 -1.578 19998 3053 1 16 . 1 1 29 29 HIS H H 29 7.450 7.450 8.018 -0.568 19998 3054 1 16 . 1 1 30 30 LYS N N 30 116.344 116.344 118.933 -2.589 19998 3055 1 16 . 1 1 30 30 LYS HA H 30 3.888 3.888 4.218 -0.330 19998 3056 1 16 . 1 1 30 30 LYS CA C 30 57.500 57.500 57.342 0.158 19998 3057 1 16 . 1 1 30 30 LYS CB C 30 29.609 29.609 30.673 -1.064 19998 3058 1 16 . 1 1 30 30 LYS H H 30 8.261 8.261 8.428 -0.167 19998 3059 1 16 . 1 1 31 31 TRP N N 31 117.766 117.766 114.915 2.851 19998 3060 1 16 . 1 1 31 31 TRP HA H 31 5.477 5.477 5.005 0.472 19998 3061 1 16 . 1 1 31 31 TRP C C 31 174.754 174.754 174.338 0.416 19998 3062 1 16 . 1 1 31 31 TRP CA C 31 55.756 55.756 54.332 1.424 19998 3063 1 16 . 1 1 31 31 TRP CB C 31 30.976 30.976 29.812 1.163 19998 3064 1 16 . 1 1 31 31 TRP H H 31 8.483 8.483 7.703 0.780 19998 3065 1 16 . 1 1 32 32 CYS N N 32 118.984 118.984 123.046 -4.062 19998 3066 1 16 . 1 1 32 32 CYS HA H 32 4.747 4.747 4.425 0.322 19998 3067 1 16 . 1 1 32 32 CYS C C 32 171.472 171.472 174.729 -3.257 19998 3068 1 16 . 1 1 32 32 CYS CA C 32 54.733 54.733 59.127 -4.394 19998 3069 1 16 . 1 1 32 32 CYS CB C 32 39.524 39.524 24.596 14.928 19998 3070 1 16 . 1 1 32 32 CYS H H 32 8.474 8.474 8.385 0.089 19998 3071 1 16 . 1 1 33 33 LYS N N 33 124.672 124.672 123.852 0.820 19998 3072 1 16 . 1 1 33 33 LYS HA H 33 4.717 4.717 4.146 0.571 19998 3073 1 16 . 1 1 33 33 LYS C C 33 172.236 172.236 175.483 -3.247 19998 3074 1 16 . 1 1 33 33 LYS CA C 33 54.730 54.730 54.096 0.634 19998 3075 1 16 . 1 1 33 33 LYS CB C 33 35.429 35.429 33.923 1.506 19998 3076 1 16 . 1 1 33 33 LYS H H 33 9.027 9.027 8.224 0.803 19998 3077 1 16 . 1 1 34 34 TYR N N 34 120.102 120.102 123.213 -3.111 19998 3078 1 16 . 1 1 34 34 TYR HA H 34 4.878 4.878 4.562 0.316 19998 3079 1 16 . 1 1 34 34 TYR C C 34 174.034 174.034 176.839 -2.805 19998 3080 1 16 . 1 1 34 34 TYR CA C 34 59.262 59.262 58.812 0.450 19998 3081 1 16 . 1 1 34 34 TYR CB C 34 38.633 38.633 37.978 0.655 19998 3082 1 16 . 1 1 34 34 TYR H H 34 8.092 8.092 8.736 -0.644 19998 3083 1 16 . 1 1 35 35 GLU N N 35 124.362 124.362 126.290 -1.928 19998 3084 1 16 . 1 1 35 35 GLU HA H 35 4.462 4.462 4.368 0.094 19998 3085 1 16 . 1 1 35 35 GLU C C 35 172.127 172.127 175.307 -3.180 19998 3086 1 16 . 1 1 35 35 GLU CA C 35 56.267 56.267 56.723 -0.456 19998 3087 1 16 . 1 1 35 35 GLU CB C 35 30.852 30.852 29.956 0.896 19998 3088 1 16 . 1 1 35 35 GLU H H 35 8.754 8.754 8.759 -0.005 19998 3089 1 17 . 1 1 2 2 ALA N N 2 123.910 123.910 122.792 1.118 19998 3090 1 17 . 1 1 2 2 ALA HA H 2 4.464 4.464 4.775 -0.311 19998 3091 1 17 . 1 1 2 2 ALA C C 2 174.673 174.673 176.395 -1.722 19998 3092 1 17 . 1 1 2 2 ALA CA C 2 52.168 52.168 52.079 0.089 19998 3093 1 17 . 1 1 2 2 ALA CB C 2 19.690 19.690 18.553 1.137 19998 3094 1 17 . 1 1 2 2 ALA H H 2 8.561 8.561 8.349 0.212 19998 3095 1 17 . 1 1 3 3 CYS N N 3 117.207 117.207 119.053 -1.846 19998 3096 1 17 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.690 0.275 19998 3097 1 17 . 1 1 3 3 CYS C C 3 170.808 170.808 172.721 -1.913 19998 3098 1 17 . 1 1 3 3 CYS CA C 3 54.754 54.754 57.193 -2.439 19998 3099 1 17 . 1 1 3 3 CYS CB C 3 44.067 44.067 29.420 14.647 19998 3100 1 17 . 1 1 3 3 CYS H H 3 8.335 8.335 8.218 0.117 19998 3101 1 17 . 1 1 4 4 LEU N N 4 121.828 121.828 122.672 -0.844 19998 3102 1 17 . 1 1 4 4 LEU HA H 4 4.345 4.345 4.607 -0.262 19998 3103 1 17 . 1 1 4 4 LEU C C 4 172.234 172.234 177.235 -5.001 19998 3104 1 17 . 1 1 4 4 LEU CA C 4 54.223 54.223 54.040 0.183 19998 3105 1 17 . 1 1 4 4 LEU CB C 4 44.578 44.578 43.913 0.664 19998 3106 1 17 . 1 1 4 4 LEU H H 4 8.815 8.815 8.367 0.448 19998 3107 1 17 . 1 1 5 5 GLY N N 5 107.508 107.508 110.454 -2.946 19998 3108 1 17 . 1 1 5 5 GLY C C 5 169.768 169.768 173.411 -3.643 19998 3109 1 17 . 1 1 5 5 GLY CA C 5 43.052 43.052 44.006 -0.954 19998 3110 1 17 . 1 1 5 5 GLY H H 5 7.999 7.999 8.328 -0.329 19998 3111 1 17 . 1 1 6 6 PHE N N 6 116.953 116.953 120.468 -3.515 19998 3112 1 17 . 1 1 6 6 PHE HA H 6 3.619 3.619 3.961 -0.342 19998 3113 1 17 . 1 1 6 6 PHE C C 6 174.967 174.967 177.285 -2.318 19998 3114 1 17 . 1 1 6 6 PHE CA C 6 60.101 60.101 58.533 1.568 19998 3115 1 17 . 1 1 6 6 PHE CB C 6 39.506 39.506 38.941 0.565 19998 3116 1 17 . 1 1 6 6 PHE H H 6 8.392 8.392 8.251 0.141 19998 3117 1 17 . 1 1 7 7 GLY N N 7 115.074 115.074 114.694 0.380 19998 3118 1 17 . 1 1 7 7 GLY C C 7 171.017 171.017 173.426 -2.409 19998 3119 1 17 . 1 1 7 7 GLY CA C 7 44.844 44.844 44.639 0.205 19998 3120 1 17 . 1 1 7 7 GLY H H 7 8.645 8.645 7.575 1.070 19998 3121 1 17 . 1 1 8 8 LYS N N 8 120.051 120.051 120.624 -0.573 19998 3122 1 17 . 1 1 8 8 LYS HA H 8 4.313 4.313 4.603 -0.290 19998 3123 1 17 . 1 1 8 8 LYS C C 8 173.878 173.878 175.899 -2.021 19998 3124 1 17 . 1 1 8 8 LYS CA C 8 54.570 54.570 54.270 0.300 19998 3125 1 17 . 1 1 8 8 LYS CB C 8 32.391 32.391 34.115 -1.724 19998 3126 1 17 . 1 1 8 8 LYS H H 8 7.429 7.429 7.363 0.066 19998 3127 1 17 . 1 1 9 9 SER N N 9 117.004 117.004 116.965 0.039 19998 3128 1 17 . 1 1 9 9 SER HA H 9 4.315 4.315 4.645 -0.330 19998 3129 1 17 . 1 1 9 9 SER C C 9 170.486 170.486 174.491 -4.005 19998 3130 1 17 . 1 1 9 9 SER CB C 9 63.355 63.355 62.830 0.525 19998 3131 1 17 . 1 1 9 9 SER H H 9 8.542 8.542 8.500 0.042 19998 3132 1 17 . 1 1 10 10 CYS N N 10 119.238 119.238 121.692 -2.454 19998 3133 1 17 . 1 1 10 10 CYS HA H 10 4.833 4.833 4.761 0.072 19998 3134 1 17 . 1 1 10 10 CYS C C 10 168.106 168.106 173.507 -5.401 19998 3135 1 17 . 1 1 10 10 CYS CA C 10 53.907 53.907 55.928 -2.021 19998 3136 1 17 . 1 1 10 10 CYS CB C 10 45.841 45.841 30.626 15.215 19998 3137 1 17 . 1 1 10 10 CYS H H 10 8.188 8.188 8.542 -0.354 19998 3138 1 17 . 1 1 11 11 ASN N N 11 119.594 119.594 118.802 0.792 19998 3139 1 17 . 1 1 11 11 ASN HA H 11 5.124 5.124 5.204 -0.080 19998 3140 1 17 . 1 1 11 11 ASN CA C 11 48.476 48.476 49.575 -1.099 19998 3141 1 17 . 1 1 11 11 ASN CB C 11 40.000 40.000 40.395 -0.395 19998 3142 1 17 . 1 1 11 11 ASN H H 11 9.129 9.129 8.594 0.535 19998 3143 1 17 . 1 1 12 12 PRO HA H 12 3.848 3.848 4.450 -0.602 19998 3144 1 17 . 1 1 12 12 PRO C C 12 174.197 174.197 178.404 -4.207 19998 3145 1 17 . 1 1 12 12 PRO CA C 12 64.689 64.689 64.641 0.048 19998 3146 1 17 . 1 1 12 12 PRO CB C 12 31.883 31.883 32.232 -0.349 19998 3147 1 17 . 1 1 13 13 SER N N 13 110.351 110.351 112.576 -2.225 19998 3148 1 17 . 1 1 13 13 SER HA H 13 4.394 4.394 4.240 0.154 19998 3149 1 17 . 1 1 13 13 SER C C 13 170.980 170.980 173.873 -2.893 19998 3150 1 17 . 1 1 13 13 SER CA C 13 59.326 59.326 60.021 -0.695 19998 3151 1 17 . 1 1 13 13 SER CB C 13 63.380 63.380 63.021 0.359 19998 3152 1 17 . 1 1 13 13 SER H H 13 7.785 7.785 8.406 -0.621 19998 3153 1 17 . 1 1 14 14 ASN N N 14 120.660 120.660 118.204 2.456 19998 3154 1 17 . 1 1 14 14 ASN HA H 14 4.638 4.638 4.825 -0.187 19998 3155 1 17 . 1 1 14 14 ASN C C 14 171.412 171.412 173.712 -2.300 19998 3156 1 17 . 1 1 14 14 ASN CA C 14 52.806 52.806 52.130 0.676 19998 3157 1 17 . 1 1 14 14 ASN CB C 14 37.810 37.810 39.067 -1.257 19998 3158 1 17 . 1 1 14 14 ASN H H 14 7.613 7.613 7.809 -0.197 19998 3159 1 17 . 1 1 15 15 ASP N N 15 124.062 124.062 121.534 2.528 19998 3160 1 17 . 1 1 15 15 ASP HA H 15 4.110 4.110 4.498 -0.388 19998 3161 1 17 . 1 1 15 15 ASP C C 15 174.918 174.918 175.664 -0.746 19998 3162 1 17 . 1 1 15 15 ASP CA C 15 55.774 55.774 54.772 1.002 19998 3163 1 17 . 1 1 15 15 ASP CB C 15 41.360 41.360 40.622 0.738 19998 3164 1 17 . 1 1 15 15 ASP H H 15 8.695 8.695 7.969 0.726 19998 3165 1 17 . 1 1 16 16 GLN N N 16 127.008 127.008 121.702 5.306 19998 3166 1 17 . 1 1 16 16 GLN HA H 16 4.613 4.613 4.573 0.040 19998 3167 1 17 . 1 1 16 16 GLN C C 16 173.874 173.874 174.035 -0.161 19998 3168 1 17 . 1 1 16 16 GLN CA C 16 54.522 54.522 54.824 -0.302 19998 3169 1 17 . 1 1 16 16 GLN CB C 16 28.327 28.327 29.300 -0.973 19998 3170 1 17 . 1 1 16 16 GLN H H 16 8.041 8.041 8.572 -0.531 19998 3171 1 17 . 1 1 17 17 CYS N N 17 122.234 122.234 119.055 3.179 19998 3172 1 17 . 1 1 17 17 CYS HA H 17 4.983 4.983 4.806 0.177 19998 3173 1 17 . 1 1 17 17 CYS C C 17 173.908 173.908 174.873 -0.965 19998 3174 1 17 . 1 1 17 17 CYS CA C 17 56.486 56.486 57.699 -1.213 19998 3175 1 17 . 1 1 17 17 CYS CB C 17 38.906 38.906 30.524 8.382 19998 3176 1 17 . 1 1 17 17 CYS H H 17 9.314 9.314 8.112 1.202 19998 3177 1 17 . 1 1 18 18 CYS N N 18 118.883 118.883 122.649 -3.766 19998 3178 1 17 . 1 1 18 18 CYS HA H 18 4.608 4.608 4.526 0.082 19998 3179 1 17 . 1 1 18 18 CYS C C 18 172.722 172.722 176.010 -3.288 19998 3180 1 17 . 1 1 18 18 CYS CA C 18 55.521 55.521 59.091 -3.570 19998 3181 1 17 . 1 1 18 18 CYS CB C 18 41.367 41.367 26.040 15.327 19998 3182 1 17 . 1 1 18 18 CYS H H 18 9.192 9.192 8.593 0.599 19998 3183 1 17 . 1 1 19 19 LYS N N 19 131.730 131.730 126.388 5.342 19998 3184 1 17 . 1 1 19 19 LYS HA H 19 4.332 4.332 4.089 0.243 19998 3185 1 17 . 1 1 19 19 LYS C C 19 177.997 177.997 179.053 -1.056 19998 3186 1 17 . 1 1 19 19 LYS CA C 19 58.426 58.426 58.942 -0.516 19998 3187 1 17 . 1 1 19 19 LYS CB C 19 31.319 31.319 32.248 -0.930 19998 3188 1 17 . 1 1 19 19 LYS H H 19 8.890 8.890 8.460 0.430 19998 3189 1 17 . 1 1 20 20 SER N N 20 115.887 115.887 114.100 1.787 19998 3190 1 17 . 1 1 20 20 SER HA H 20 4.334 4.334 4.292 0.042 19998 3191 1 17 . 1 1 20 20 SER C C 20 172.946 172.946 175.507 -2.561 19998 3192 1 17 . 1 1 20 20 SER CA C 20 60.311 60.311 60.757 -0.445 19998 3193 1 17 . 1 1 20 20 SER CB C 20 62.327 62.327 62.965 -0.638 19998 3194 1 17 . 1 1 20 20 SER H H 20 8.856 8.856 8.522 0.334 19998 3195 1 17 . 1 1 21 21 SER N N 21 116.191 116.191 114.880 1.311 19998 3196 1 17 . 1 1 21 21 SER HA H 21 4.833 4.833 4.585 0.248 19998 3197 1 17 . 1 1 21 21 SER C C 21 170.505 170.505 173.230 -2.725 19998 3198 1 17 . 1 1 21 21 SER CA C 21 57.500 57.500 57.720 -0.220 19998 3199 1 17 . 1 1 21 21 SER CB C 21 63.852 63.852 63.569 0.284 19998 3200 1 17 . 1 1 21 21 SER H H 21 7.068 7.068 7.471 -0.403 19998 3201 1 17 . 1 1 22 22 SER N N 22 111.723 111.723 115.707 -3.984 19998 3202 1 17 . 1 1 22 22 SER HA H 22 4.099 4.099 4.153 -0.054 19998 3203 1 17 . 1 1 22 22 SER C C 22 170.369 170.369 173.060 -2.691 19998 3204 1 17 . 1 1 22 22 SER CA C 22 59.140 59.140 59.908 -0.768 19998 3205 1 17 . 1 1 22 22 SER CB C 22 61.339 61.339 61.172 0.168 19998 3206 1 17 . 1 1 22 22 SER H H 22 8.113 8.113 8.231 -0.118 19998 3207 1 17 . 1 1 23 23 LEU N N 23 115.988 115.988 119.161 -3.173 19998 3208 1 17 . 1 1 23 23 LEU HA H 23 4.898 4.898 4.949 -0.051 19998 3209 1 17 . 1 1 23 23 LEU C C 23 173.712 173.712 175.355 -1.643 19998 3210 1 17 . 1 1 23 23 LEU CA C 23 53.083 53.083 53.315 -0.232 19998 3211 1 17 . 1 1 23 23 LEU CB C 23 46.062 46.062 45.572 0.490 19998 3212 1 17 . 1 1 23 23 LEU H H 23 7.111 7.111 7.553 -0.442 19998 3213 1 17 . 1 1 24 24 ALA N N 24 119.898 119.898 120.685 -0.787 19998 3214 1 17 . 1 1 24 24 ALA HA H 24 4.466 4.466 4.635 -0.169 19998 3215 1 17 . 1 1 24 24 ALA C C 24 173.491 173.491 174.684 -1.193 19998 3216 1 17 . 1 1 24 24 ALA CA C 24 51.167 51.167 51.816 -0.649 19998 3217 1 17 . 1 1 24 24 ALA CB C 24 23.237 23.237 21.760 1.477 19998 3218 1 17 . 1 1 24 24 ALA H H 24 8.904 8.904 7.796 1.108 19998 3219 1 17 . 1 1 25 25 CYS N N 25 122.945 122.945 121.431 1.514 19998 3220 1 17 . 1 1 25 25 CYS HA H 25 4.452 4.452 4.923 -0.471 19998 3221 1 17 . 1 1 25 25 CYS C C 25 171.574 171.574 175.133 -3.559 19998 3222 1 17 . 1 1 25 25 CYS CA C 25 56.132 56.132 57.484 -1.352 19998 3223 1 17 . 1 1 25 25 CYS CB C 25 39.179 39.179 26.542 12.637 19998 3224 1 17 . 1 1 25 25 CYS H H 25 9.847 9.847 8.659 1.188 19998 3225 1 17 . 1 1 26 26 SER N N 26 122.285 122.285 124.063 -1.778 19998 3226 1 17 . 1 1 26 26 SER HA H 26 4.543 4.543 4.766 -0.223 19998 3227 1 17 . 1 1 26 26 SER CA C 26 57.773 57.773 57.120 0.653 19998 3228 1 17 . 1 1 26 26 SER CB C 26 63.789 63.789 65.773 -1.984 19998 3229 1 17 . 1 1 26 26 SER H H 26 7.791 7.791 8.347 -0.556 19998 3230 1 17 . 1 1 27 27 THR N N 27 122.390 122.390 120.202 2.188 19998 3231 1 17 . 1 1 27 27 THR HA H 27 3.778 3.778 4.302 -0.524 19998 3232 1 17 . 1 1 27 27 THR C C 27 172.781 172.781 175.089 -2.308 19998 3233 1 17 . 1 1 27 27 THR CA C 27 65.390 65.390 63.670 1.720 19998 3234 1 17 . 1 1 27 27 THR CB C 27 68.458 68.458 68.642 -0.184 19998 3235 1 17 . 1 1 27 27 THR H H 27 8.874 8.874 8.632 0.242 19998 3236 1 17 . 1 1 28 28 LYS N N 28 118.883 118.883 120.436 -1.553 19998 3237 1 17 . 1 1 28 28 LYS HA H 28 4.031 4.031 4.215 -0.184 19998 3238 1 17 . 1 1 28 28 LYS C C 28 174.613 174.613 176.900 -2.287 19998 3239 1 17 . 1 1 28 28 LYS CA C 28 57.799 57.799 58.255 -0.456 19998 3240 1 17 . 1 1 28 28 LYS CB C 28 33.164 33.164 32.411 0.753 19998 3241 1 17 . 1 1 28 28 LYS H H 28 7.609 7.609 8.078 -0.469 19998 3242 1 17 . 1 1 29 29 HIS N N 29 113.398 113.398 115.405 -2.007 19998 3243 1 17 . 1 1 29 29 HIS HA H 29 4.284 4.284 4.644 -0.360 19998 3244 1 17 . 1 1 29 29 HIS CA C 29 55.586 55.586 55.410 0.176 19998 3245 1 17 . 1 1 29 29 HIS CB C 29 29.062 29.062 30.676 -1.614 19998 3246 1 17 . 1 1 29 29 HIS H H 29 7.450 7.450 8.054 -0.604 19998 3247 1 17 . 1 1 30 30 LYS N N 30 116.344 116.344 119.051 -2.707 19998 3248 1 17 . 1 1 30 30 LYS HA H 30 3.888 3.888 4.216 -0.328 19998 3249 1 17 . 1 1 30 30 LYS CA C 30 57.500 57.500 57.362 0.138 19998 3250 1 17 . 1 1 30 30 LYS CB C 30 29.609 29.609 30.624 -1.015 19998 3251 1 17 . 1 1 30 30 LYS H H 30 8.261 8.261 8.441 -0.180 19998 3252 1 17 . 1 1 31 31 TRP N N 31 117.766 117.766 114.974 2.792 19998 3253 1 17 . 1 1 31 31 TRP HA H 31 5.477 5.477 5.014 0.463 19998 3254 1 17 . 1 1 31 31 TRP C C 31 174.754 174.754 174.383 0.371 19998 3255 1 17 . 1 1 31 31 TRP CA C 31 55.756 55.756 54.293 1.463 19998 3256 1 17 . 1 1 31 31 TRP CB C 31 30.976 30.976 29.830 1.146 19998 3257 1 17 . 1 1 31 31 TRP H H 31 8.483 8.483 7.755 0.728 19998 3258 1 17 . 1 1 32 32 CYS N N 32 118.984 118.984 123.021 -4.037 19998 3259 1 17 . 1 1 32 32 CYS HA H 32 4.747 4.747 4.450 0.297 19998 3260 1 17 . 1 1 32 32 CYS C C 32 171.472 171.472 174.787 -3.315 19998 3261 1 17 . 1 1 32 32 CYS CA C 32 54.733 54.733 59.119 -4.386 19998 3262 1 17 . 1 1 32 32 CYS CB C 32 39.524 39.524 24.607 14.917 19998 3263 1 17 . 1 1 32 32 CYS H H 32 8.474 8.474 8.406 0.068 19998 3264 1 17 . 1 1 33 33 LYS N N 33 124.672 124.672 123.829 0.843 19998 3265 1 17 . 1 1 33 33 LYS HA H 33 4.717 4.717 4.153 0.564 19998 3266 1 17 . 1 1 33 33 LYS C C 33 172.236 172.236 175.478 -3.242 19998 3267 1 17 . 1 1 33 33 LYS CA C 33 54.730 54.730 54.150 0.580 19998 3268 1 17 . 1 1 33 33 LYS CB C 33 35.429 35.429 33.937 1.492 19998 3269 1 17 . 1 1 33 33 LYS H H 33 9.027 9.027 8.155 0.872 19998 3270 1 17 . 1 1 34 34 TYR N N 34 120.102 120.102 122.904 -2.802 19998 3271 1 17 . 1 1 34 34 TYR HA H 34 4.878 4.878 4.553 0.325 19998 3272 1 17 . 1 1 34 34 TYR C C 34 174.034 174.034 176.840 -2.806 19998 3273 1 17 . 1 1 34 34 TYR CA C 34 59.262 59.262 58.702 0.560 19998 3274 1 17 . 1 1 34 34 TYR CB C 34 38.633 38.633 37.923 0.710 19998 3275 1 17 . 1 1 34 34 TYR H H 34 8.092 8.092 8.689 -0.597 19998 3276 1 17 . 1 1 35 35 GLU N N 35 124.362 124.362 126.225 -1.863 19998 3277 1 17 . 1 1 35 35 GLU HA H 35 4.462 4.462 4.398 0.064 19998 3278 1 17 . 1 1 35 35 GLU C C 35 172.127 172.127 175.254 -3.127 19998 3279 1 17 . 1 1 35 35 GLU CA C 35 56.267 56.267 56.597 -0.330 19998 3280 1 17 . 1 1 35 35 GLU CB C 35 30.852 30.852 30.031 0.821 19998 3281 1 17 . 1 1 35 35 GLU H H 35 8.754 8.754 8.628 0.126 19998 3282 1 18 . 1 1 2 2 ALA N N 2 123.910 123.910 126.162 -2.252 19998 3283 1 18 . 1 1 2 2 ALA HA H 2 4.464 4.464 4.931 -0.467 19998 3284 1 18 . 1 1 2 2 ALA C C 2 174.673 174.673 176.558 -1.885 19998 3285 1 18 . 1 1 2 2 ALA CA C 2 52.168 52.168 52.266 -0.097 19998 3286 1 18 . 1 1 2 2 ALA CB C 2 19.690 19.690 19.107 0.583 19998 3287 1 18 . 1 1 2 2 ALA H H 2 8.561 8.561 8.205 0.356 19998 3288 1 18 . 1 1 3 3 CYS N N 3 117.207 117.207 118.824 -1.617 19998 3289 1 18 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.650 0.315 19998 3290 1 18 . 1 1 3 3 CYS C C 3 170.808 170.808 172.622 -1.814 19998 3291 1 18 . 1 1 3 3 CYS CA C 3 54.754 54.754 57.418 -2.664 19998 3292 1 18 . 1 1 3 3 CYS CB C 3 44.067 44.067 29.179 14.888 19998 3293 1 18 . 1 1 3 3 CYS H H 3 8.335 8.335 8.232 0.103 19998 3294 1 18 . 1 1 4 4 LEU N N 4 121.828 121.828 122.849 -1.021 19998 3295 1 18 . 1 1 4 4 LEU HA H 4 4.345 4.345 4.618 -0.273 19998 3296 1 18 . 1 1 4 4 LEU C C 4 172.234 172.234 177.244 -5.010 19998 3297 1 18 . 1 1 4 4 LEU CA C 4 54.223 54.223 54.041 0.182 19998 3298 1 18 . 1 1 4 4 LEU CB C 4 44.578 44.578 43.748 0.830 19998 3299 1 18 . 1 1 4 4 LEU H H 4 8.815 8.815 8.405 0.410 19998 3300 1 18 . 1 1 5 5 GLY N N 5 107.508 107.508 110.464 -2.956 19998 3301 1 18 . 1 1 5 5 GLY C C 5 169.768 169.768 173.445 -3.677 19998 3302 1 18 . 1 1 5 5 GLY CA C 5 43.052 43.052 44.023 -0.971 19998 3303 1 18 . 1 1 5 5 GLY H H 5 7.999 7.999 8.301 -0.302 19998 3304 1 18 . 1 1 6 6 PHE N N 6 116.953 116.953 120.752 -3.799 19998 3305 1 18 . 1 1 6 6 PHE HA H 6 3.619 3.619 4.016 -0.397 19998 3306 1 18 . 1 1 6 6 PHE C C 6 174.967 174.967 176.805 -1.838 19998 3307 1 18 . 1 1 6 6 PHE CA C 6 60.101 60.101 58.944 1.157 19998 3308 1 18 . 1 1 6 6 PHE CB C 6 39.506 39.506 39.157 0.349 19998 3309 1 18 . 1 1 6 6 PHE H H 6 8.392 8.392 8.515 -0.123 19998 3310 1 18 . 1 1 7 7 GLY N N 7 115.074 115.074 115.566 -0.492 19998 3311 1 18 . 1 1 7 7 GLY C C 7 171.017 171.017 173.971 -2.954 19998 3312 1 18 . 1 1 7 7 GLY CA C 7 44.844 44.844 44.889 -0.045 19998 3313 1 18 . 1 1 7 7 GLY H H 7 8.645 8.645 7.376 1.269 19998 3314 1 18 . 1 1 8 8 LYS N N 8 120.051 120.051 120.518 -0.467 19998 3315 1 18 . 1 1 8 8 LYS HA H 8 4.313 4.313 4.589 -0.276 19998 3316 1 18 . 1 1 8 8 LYS C C 8 173.878 173.878 176.070 -2.192 19998 3317 1 18 . 1 1 8 8 LYS CA C 8 54.570 54.570 54.179 0.391 19998 3318 1 18 . 1 1 8 8 LYS CB C 8 32.391 32.391 33.996 -1.605 19998 3319 1 18 . 1 1 8 8 LYS H H 8 7.429 7.429 7.360 0.069 19998 3320 1 18 . 1 1 9 9 SER N N 9 117.004 117.004 117.712 -0.708 19998 3321 1 18 . 1 1 9 9 SER HA H 9 4.315 4.315 4.609 -0.294 19998 3322 1 18 . 1 1 9 9 SER C C 9 170.486 170.486 174.308 -3.822 19998 3323 1 18 . 1 1 9 9 SER CB C 9 63.355 63.355 62.900 0.455 19998 3324 1 18 . 1 1 9 9 SER H H 9 8.542 8.542 8.537 0.005 19998 3325 1 18 . 1 1 10 10 CYS N N 10 119.238 119.238 121.185 -1.947 19998 3326 1 18 . 1 1 10 10 CYS HA H 10 4.833 4.833 4.764 0.069 19998 3327 1 18 . 1 1 10 10 CYS C C 10 168.106 168.106 173.039 -4.933 19998 3328 1 18 . 1 1 10 10 CYS CA C 10 53.907 53.907 55.850 -1.943 19998 3329 1 18 . 1 1 10 10 CYS CB C 10 45.841 45.841 30.209 15.632 19998 3330 1 18 . 1 1 10 10 CYS H H 10 8.188 8.188 8.313 -0.125 19998 3331 1 18 . 1 1 11 11 ASN N N 11 119.594 119.594 119.000 0.594 19998 3332 1 18 . 1 1 11 11 ASN HA H 11 5.124 5.124 5.191 -0.067 19998 3333 1 18 . 1 1 11 11 ASN CA C 11 48.476 48.476 49.764 -1.288 19998 3334 1 18 . 1 1 11 11 ASN CB C 11 40.000 40.000 41.115 -1.115 19998 3335 1 18 . 1 1 11 11 ASN H H 11 9.129 9.129 8.624 0.505 19998 3336 1 18 . 1 1 12 12 PRO HA H 12 3.848 3.848 4.446 -0.598 19998 3337 1 18 . 1 1 12 12 PRO C C 12 174.197 174.197 178.416 -4.219 19998 3338 1 18 . 1 1 12 12 PRO CA C 12 64.689 64.689 64.711 -0.022 19998 3339 1 18 . 1 1 12 12 PRO CB C 12 31.883 31.883 32.218 -0.335 19998 3340 1 18 . 1 1 13 13 SER N N 13 110.351 110.351 112.454 -2.103 19998 3341 1 18 . 1 1 13 13 SER HA H 13 4.394 4.394 4.230 0.164 19998 3342 1 18 . 1 1 13 13 SER C C 13 170.980 170.980 173.969 -2.989 19998 3343 1 18 . 1 1 13 13 SER CA C 13 59.326 59.326 60.035 -0.709 19998 3344 1 18 . 1 1 13 13 SER CB C 13 63.380 63.380 62.974 0.406 19998 3345 1 18 . 1 1 13 13 SER H H 13 7.785 7.785 8.407 -0.622 19998 3346 1 18 . 1 1 14 14 ASN N N 14 120.660 120.660 118.461 2.199 19998 3347 1 18 . 1 1 14 14 ASN HA H 14 4.638 4.638 4.900 -0.262 19998 3348 1 18 . 1 1 14 14 ASN C C 14 171.412 171.412 173.514 -2.102 19998 3349 1 18 . 1 1 14 14 ASN CA C 14 52.806 52.806 51.861 0.945 19998 3350 1 18 . 1 1 14 14 ASN CB C 14 37.810 37.810 39.082 -1.272 19998 3351 1 18 . 1 1 14 14 ASN H H 14 7.613 7.613 7.816 -0.203 19998 3352 1 18 . 1 1 15 15 ASP N N 15 124.062 124.062 120.875 3.187 19998 3353 1 18 . 1 1 15 15 ASP HA H 15 4.110 4.110 4.505 -0.395 19998 3354 1 18 . 1 1 15 15 ASP C C 15 174.918 174.918 175.364 -0.446 19998 3355 1 18 . 1 1 15 15 ASP CA C 15 55.774 55.774 54.833 0.941 19998 3356 1 18 . 1 1 15 15 ASP CB C 15 41.360 41.360 40.529 0.831 19998 3357 1 18 . 1 1 15 15 ASP H H 15 8.695 8.695 7.999 0.696 19998 3358 1 18 . 1 1 16 16 GLN N N 16 127.008 127.008 121.710 5.298 19998 3359 1 18 . 1 1 16 16 GLN HA H 16 4.613 4.613 4.542 0.071 19998 3360 1 18 . 1 1 16 16 GLN C C 16 173.874 173.874 173.995 -0.121 19998 3361 1 18 . 1 1 16 16 GLN CA C 16 54.522 54.522 54.637 -0.115 19998 3362 1 18 . 1 1 16 16 GLN CB C 16 28.327 28.327 29.051 -0.724 19998 3363 1 18 . 1 1 16 16 GLN H H 16 8.041 8.041 8.465 -0.424 19998 3364 1 18 . 1 1 17 17 CYS N N 17 122.234 122.234 118.844 3.390 19998 3365 1 18 . 1 1 17 17 CYS HA H 17 4.983 4.983 4.835 0.148 19998 3366 1 18 . 1 1 17 17 CYS C C 17 173.908 173.908 174.835 -0.927 19998 3367 1 18 . 1 1 17 17 CYS CA C 17 56.486 56.486 57.768 -1.282 19998 3368 1 18 . 1 1 17 17 CYS CB C 17 38.906 38.906 30.770 8.136 19998 3369 1 18 . 1 1 17 17 CYS H H 17 9.314 9.314 8.200 1.114 19998 3370 1 18 . 1 1 18 18 CYS N N 18 118.883 118.883 122.751 -3.868 19998 3371 1 18 . 1 1 18 18 CYS HA H 18 4.608 4.608 4.588 0.020 19998 3372 1 18 . 1 1 18 18 CYS C C 18 172.722 172.722 175.996 -3.274 19998 3373 1 18 . 1 1 18 18 CYS CA C 18 55.521 55.521 59.336 -3.815 19998 3374 1 18 . 1 1 18 18 CYS CB C 18 41.367 41.367 25.963 15.404 19998 3375 1 18 . 1 1 18 18 CYS H H 18 9.192 9.192 8.586 0.606 19998 3376 1 18 . 1 1 19 19 LYS N N 19 131.730 131.730 126.397 5.333 19998 3377 1 18 . 1 1 19 19 LYS HA H 19 4.332 4.332 4.099 0.233 19998 3378 1 18 . 1 1 19 19 LYS C C 19 177.997 177.997 178.754 -0.757 19998 3379 1 18 . 1 1 19 19 LYS CA C 19 58.426 58.426 58.856 -0.430 19998 3380 1 18 . 1 1 19 19 LYS CB C 19 31.319 31.319 32.184 -0.864 19998 3381 1 18 . 1 1 19 19 LYS H H 19 8.890 8.890 8.520 0.370 19998 3382 1 18 . 1 1 20 20 SER N N 20 115.887 115.887 114.637 1.250 19998 3383 1 18 . 1 1 20 20 SER HA H 20 4.334 4.334 4.284 0.050 19998 3384 1 18 . 1 1 20 20 SER C C 20 172.946 172.946 175.399 -2.453 19998 3385 1 18 . 1 1 20 20 SER CA C 20 60.311 60.311 60.776 -0.466 19998 3386 1 18 . 1 1 20 20 SER CB C 20 62.327 62.327 62.635 -0.308 19998 3387 1 18 . 1 1 20 20 SER H H 20 8.856 8.856 8.573 0.283 19998 3388 1 18 . 1 1 21 21 SER N N 21 116.191 116.191 114.953 1.238 19998 3389 1 18 . 1 1 21 21 SER HA H 21 4.833 4.833 4.591 0.242 19998 3390 1 18 . 1 1 21 21 SER C C 21 170.505 170.505 173.125 -2.620 19998 3391 1 18 . 1 1 21 21 SER CA C 21 57.500 57.500 58.194 -0.694 19998 3392 1 18 . 1 1 21 21 SER CB C 21 63.852 63.852 63.633 0.220 19998 3393 1 18 . 1 1 21 21 SER H H 21 7.068 7.068 7.502 -0.434 19998 3394 1 18 . 1 1 22 22 SER N N 22 111.723 111.723 115.747 -4.024 19998 3395 1 18 . 1 1 22 22 SER HA H 22 4.099 4.099 4.148 -0.049 19998 3396 1 18 . 1 1 22 22 SER C C 22 170.369 170.369 173.008 -2.639 19998 3397 1 18 . 1 1 22 22 SER CA C 22 59.140 59.140 59.764 -0.624 19998 3398 1 18 . 1 1 22 22 SER CB C 22 61.339 61.339 61.274 0.065 19998 3399 1 18 . 1 1 22 22 SER H H 22 8.113 8.113 8.231 -0.118 19998 3400 1 18 . 1 1 23 23 LEU N N 23 115.988 115.988 118.978 -2.990 19998 3401 1 18 . 1 1 23 23 LEU HA H 23 4.898 4.898 4.903 -0.005 19998 3402 1 18 . 1 1 23 23 LEU C C 23 173.712 173.712 175.604 -1.892 19998 3403 1 18 . 1 1 23 23 LEU CA C 23 53.083 53.083 53.378 -0.295 19998 3404 1 18 . 1 1 23 23 LEU CB C 23 46.062 46.062 45.142 0.920 19998 3405 1 18 . 1 1 23 23 LEU H H 23 7.111 7.111 7.598 -0.487 19998 3406 1 18 . 1 1 24 24 ALA N N 24 119.898 119.898 120.800 -0.902 19998 3407 1 18 . 1 1 24 24 ALA HA H 24 4.466 4.466 4.654 -0.188 19998 3408 1 18 . 1 1 24 24 ALA C C 24 173.491 173.491 174.712 -1.221 19998 3409 1 18 . 1 1 24 24 ALA CA C 24 51.167 51.167 51.772 -0.605 19998 3410 1 18 . 1 1 24 24 ALA CB C 24 23.237 23.237 21.683 1.554 19998 3411 1 18 . 1 1 24 24 ALA H H 24 8.904 8.904 7.805 1.099 19998 3412 1 18 . 1 1 25 25 CYS N N 25 122.945 122.945 121.182 1.763 19998 3413 1 18 . 1 1 25 25 CYS HA H 25 4.452 4.452 5.001 -0.549 19998 3414 1 18 . 1 1 25 25 CYS C C 25 171.574 171.574 175.248 -3.674 19998 3415 1 18 . 1 1 25 25 CYS CA C 25 56.132 56.132 57.662 -1.530 19998 3416 1 18 . 1 1 25 25 CYS CB C 25 39.179 39.179 26.547 12.632 19998 3417 1 18 . 1 1 25 25 CYS H H 25 9.847 9.847 8.719 1.128 19998 3418 1 18 . 1 1 26 26 SER N N 26 122.285 122.285 123.305 -1.020 19998 3419 1 18 . 1 1 26 26 SER HA H 26 4.543 4.543 4.729 -0.186 19998 3420 1 18 . 1 1 26 26 SER CA C 26 57.773 57.773 57.448 0.325 19998 3421 1 18 . 1 1 26 26 SER CB C 26 63.789 63.789 66.055 -2.266 19998 3422 1 18 . 1 1 26 26 SER H H 26 7.791 7.791 8.349 -0.558 19998 3423 1 18 . 1 1 27 27 THR N N 27 122.390 122.390 121.553 0.837 19998 3424 1 18 . 1 1 27 27 THR HA H 27 3.778 3.778 4.267 -0.489 19998 3425 1 18 . 1 1 27 27 THR C C 27 172.781 172.781 175.004 -2.223 19998 3426 1 18 . 1 1 27 27 THR CA C 27 65.390 65.390 64.370 1.020 19998 3427 1 18 . 1 1 27 27 THR CB C 27 68.458 68.458 68.584 -0.126 19998 3428 1 18 . 1 1 27 27 THR H H 27 8.874 8.874 8.638 0.236 19998 3429 1 18 . 1 1 28 28 LYS N N 28 118.883 118.883 121.498 -2.615 19998 3430 1 18 . 1 1 28 28 LYS HA H 28 4.031 4.031 4.146 -0.115 19998 3431 1 18 . 1 1 28 28 LYS C C 28 174.613 174.613 176.787 -2.174 19998 3432 1 18 . 1 1 28 28 LYS CA C 28 57.799 57.799 58.377 -0.578 19998 3433 1 18 . 1 1 28 28 LYS CB C 28 33.164 33.164 32.191 0.973 19998 3434 1 18 . 1 1 28 28 LYS H H 28 7.609 7.609 7.996 -0.387 19998 3435 1 18 . 1 1 29 29 HIS N N 29 113.398 113.398 114.740 -1.342 19998 3436 1 18 . 1 1 29 29 HIS HA H 29 4.284 4.284 4.604 -0.320 19998 3437 1 18 . 1 1 29 29 HIS CA C 29 55.586 55.586 55.584 0.002 19998 3438 1 18 . 1 1 29 29 HIS CB C 29 29.062 29.062 30.781 -1.719 19998 3439 1 18 . 1 1 29 29 HIS H H 29 7.450 7.450 8.023 -0.573 19998 3440 1 18 . 1 1 30 30 LYS N N 30 116.344 116.344 119.057 -2.713 19998 3441 1 18 . 1 1 30 30 LYS HA H 30 3.888 3.888 4.215 -0.327 19998 3442 1 18 . 1 1 30 30 LYS CA C 30 57.500 57.500 57.343 0.157 19998 3443 1 18 . 1 1 30 30 LYS CB C 30 29.609 29.609 30.627 -1.018 19998 3444 1 18 . 1 1 30 30 LYS H H 30 8.261 8.261 8.430 -0.169 19998 3445 1 18 . 1 1 31 31 TRP N N 31 117.766 117.766 114.910 2.856 19998 3446 1 18 . 1 1 31 31 TRP HA H 31 5.477 5.477 5.023 0.454 19998 3447 1 18 . 1 1 31 31 TRP C C 31 174.754 174.754 174.411 0.343 19998 3448 1 18 . 1 1 31 31 TRP CA C 31 55.756 55.756 54.223 1.533 19998 3449 1 18 . 1 1 31 31 TRP CB C 31 30.976 30.976 29.837 1.139 19998 3450 1 18 . 1 1 31 31 TRP H H 31 8.483 8.483 7.762 0.721 19998 3451 1 18 . 1 1 32 32 CYS N N 32 118.984 118.984 122.985 -4.001 19998 3452 1 18 . 1 1 32 32 CYS HA H 32 4.747 4.747 4.332 0.415 19998 3453 1 18 . 1 1 32 32 CYS C C 32 171.472 171.472 174.751 -3.279 19998 3454 1 18 . 1 1 32 32 CYS CA C 32 54.733 54.733 59.205 -4.471 19998 3455 1 18 . 1 1 32 32 CYS CB C 32 39.524 39.524 24.581 14.943 19998 3456 1 18 . 1 1 32 32 CYS H H 32 8.474 8.474 8.407 0.067 19998 3457 1 18 . 1 1 33 33 LYS N N 33 124.672 124.672 123.911 0.761 19998 3458 1 18 . 1 1 33 33 LYS HA H 33 4.717 4.717 4.125 0.592 19998 3459 1 18 . 1 1 33 33 LYS C C 33 172.236 172.236 175.457 -3.221 19998 3460 1 18 . 1 1 33 33 LYS CA C 33 54.730 54.730 54.113 0.617 19998 3461 1 18 . 1 1 33 33 LYS CB C 33 35.429 35.429 33.934 1.495 19998 3462 1 18 . 1 1 33 33 LYS H H 33 9.027 9.027 8.384 0.643 19998 3463 1 18 . 1 1 34 34 TYR N N 34 120.102 120.102 122.859 -2.757 19998 3464 1 18 . 1 1 34 34 TYR HA H 34 4.878 4.878 4.548 0.330 19998 3465 1 18 . 1 1 34 34 TYR C C 34 174.034 174.034 176.834 -2.800 19998 3466 1 18 . 1 1 34 34 TYR CA C 34 59.262 59.262 58.562 0.700 19998 3467 1 18 . 1 1 34 34 TYR CB C 34 38.633 38.633 37.842 0.791 19998 3468 1 18 . 1 1 34 34 TYR H H 34 8.092 8.092 8.700 -0.608 19998 3469 1 18 . 1 1 35 35 GLU N N 35 124.362 124.362 126.521 -2.159 19998 3470 1 18 . 1 1 35 35 GLU HA H 35 4.462 4.462 4.334 0.128 19998 3471 1 18 . 1 1 35 35 GLU C C 35 172.127 172.127 175.263 -3.136 19998 3472 1 18 . 1 1 35 35 GLU CA C 35 56.267 56.267 57.293 -1.026 19998 3473 1 18 . 1 1 35 35 GLU CB C 35 30.852 30.852 29.551 1.301 19998 3474 1 18 . 1 1 35 35 GLU H H 35 8.754 8.754 8.554 0.200 19998 3475 1 19 . 1 1 2 2 ALA N N 2 123.910 123.910 122.948 0.962 19998 3476 1 19 . 1 1 2 2 ALA HA H 2 4.464 4.464 4.763 -0.299 19998 3477 1 19 . 1 1 2 2 ALA C C 2 174.673 174.673 176.347 -1.674 19998 3478 1 19 . 1 1 2 2 ALA CA C 2 52.168 52.168 52.049 0.119 19998 3479 1 19 . 1 1 2 2 ALA CB C 2 19.690 19.690 18.307 1.383 19998 3480 1 19 . 1 1 2 2 ALA H H 2 8.561 8.561 8.286 0.275 19998 3481 1 19 . 1 1 3 3 CYS N N 3 117.207 117.207 118.968 -1.761 19998 3482 1 19 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.679 0.286 19998 3483 1 19 . 1 1 3 3 CYS C C 3 170.808 170.808 172.697 -1.889 19998 3484 1 19 . 1 1 3 3 CYS CA C 3 54.754 54.754 57.243 -2.489 19998 3485 1 19 . 1 1 3 3 CYS CB C 3 44.067 44.067 29.366 14.701 19998 3486 1 19 . 1 1 3 3 CYS H H 3 8.335 8.335 8.243 0.092 19998 3487 1 19 . 1 1 4 4 LEU N N 4 121.828 121.828 122.744 -0.916 19998 3488 1 19 . 1 1 4 4 LEU HA H 4 4.345 4.345 4.621 -0.276 19998 3489 1 19 . 1 1 4 4 LEU C C 4 172.234 172.234 177.124 -4.890 19998 3490 1 19 . 1 1 4 4 LEU CA C 4 54.223 54.223 54.054 0.168 19998 3491 1 19 . 1 1 4 4 LEU CB C 4 44.578 44.578 43.950 0.628 19998 3492 1 19 . 1 1 4 4 LEU H H 4 8.815 8.815 8.393 0.422 19998 3493 1 19 . 1 1 5 5 GLY N N 5 107.508 107.508 110.187 -2.679 19998 3494 1 19 . 1 1 5 5 GLY C C 5 169.768 169.768 173.402 -3.634 19998 3495 1 19 . 1 1 5 5 GLY CA C 5 43.052 43.052 43.838 -0.786 19998 3496 1 19 . 1 1 5 5 GLY H H 5 7.999 7.999 8.320 -0.321 19998 3497 1 19 . 1 1 6 6 PHE N N 6 116.953 116.953 120.191 -3.238 19998 3498 1 19 . 1 1 6 6 PHE HA H 6 3.619 3.619 4.019 -0.400 19998 3499 1 19 . 1 1 6 6 PHE C C 6 174.967 174.967 176.724 -1.757 19998 3500 1 19 . 1 1 6 6 PHE CA C 6 60.101 60.101 58.538 1.563 19998 3501 1 19 . 1 1 6 6 PHE CB C 6 39.506 39.506 39.352 0.154 19998 3502 1 19 . 1 1 6 6 PHE H H 6 8.392 8.392 8.400 -0.009 19998 3503 1 19 . 1 1 7 7 GLY N N 7 115.074 115.074 115.002 0.072 19998 3504 1 19 . 1 1 7 7 GLY C C 7 171.017 171.017 173.846 -2.829 19998 3505 1 19 . 1 1 7 7 GLY CA C 7 44.844 44.844 44.882 -0.038 19998 3506 1 19 . 1 1 7 7 GLY H H 7 8.645 8.645 7.386 1.259 19998 3507 1 19 . 1 1 8 8 LYS N N 8 120.051 120.051 120.462 -0.411 19998 3508 1 19 . 1 1 8 8 LYS HA H 8 4.313 4.313 4.609 -0.296 19998 3509 1 19 . 1 1 8 8 LYS C C 8 173.878 173.878 176.062 -2.184 19998 3510 1 19 . 1 1 8 8 LYS CA C 8 54.570 54.570 54.195 0.375 19998 3511 1 19 . 1 1 8 8 LYS CB C 8 32.391 32.391 34.072 -1.681 19998 3512 1 19 . 1 1 8 8 LYS H H 8 7.429 7.429 7.384 0.045 19998 3513 1 19 . 1 1 9 9 SER N N 9 117.004 117.004 117.234 -0.230 19998 3514 1 19 . 1 1 9 9 SER HA H 9 4.315 4.315 4.691 -0.376 19998 3515 1 19 . 1 1 9 9 SER C C 9 170.486 170.486 174.259 -3.773 19998 3516 1 19 . 1 1 9 9 SER CB C 9 63.355 63.355 62.931 0.424 19998 3517 1 19 . 1 1 9 9 SER H H 9 8.542 8.542 8.515 0.027 19998 3518 1 19 . 1 1 10 10 CYS N N 10 119.238 119.238 121.552 -2.314 19998 3519 1 19 . 1 1 10 10 CYS HA H 10 4.833 4.833 4.791 0.042 19998 3520 1 19 . 1 1 10 10 CYS C C 10 168.106 168.106 173.599 -5.493 19998 3521 1 19 . 1 1 10 10 CYS CA C 10 53.907 53.907 56.027 -2.120 19998 3522 1 19 . 1 1 10 10 CYS CB C 10 45.841 45.841 30.425 15.416 19998 3523 1 19 . 1 1 10 10 CYS H H 10 8.188 8.188 8.584 -0.396 19998 3524 1 19 . 1 1 11 11 ASN N N 11 119.594 119.594 118.929 0.665 19998 3525 1 19 . 1 1 11 11 ASN HA H 11 5.124 5.124 5.202 -0.078 19998 3526 1 19 . 1 1 11 11 ASN CA C 11 48.476 48.476 49.566 -1.090 19998 3527 1 19 . 1 1 11 11 ASN CB C 11 40.000 40.000 40.305 -0.305 19998 3528 1 19 . 1 1 11 11 ASN H H 11 9.129 9.129 8.612 0.517 19998 3529 1 19 . 1 1 12 12 PRO HA H 12 3.848 3.848 4.438 -0.590 19998 3530 1 19 . 1 1 12 12 PRO C C 12 174.197 174.197 178.369 -4.172 19998 3531 1 19 . 1 1 12 12 PRO CA C 12 64.689 64.689 64.668 0.021 19998 3532 1 19 . 1 1 12 12 PRO CB C 12 31.883 31.883 32.197 -0.314 19998 3533 1 19 . 1 1 13 13 SER N N 13 110.351 110.351 112.753 -2.402 19998 3534 1 19 . 1 1 13 13 SER HA H 13 4.394 4.394 4.238 0.156 19998 3535 1 19 . 1 1 13 13 SER C C 13 170.980 170.980 173.951 -2.971 19998 3536 1 19 . 1 1 13 13 SER CA C 13 59.326 59.326 60.090 -0.764 19998 3537 1 19 . 1 1 13 13 SER CB C 13 63.380 63.380 62.987 0.393 19998 3538 1 19 . 1 1 13 13 SER H H 13 7.785 7.785 8.426 -0.641 19998 3539 1 19 . 1 1 14 14 ASN N N 14 120.660 120.660 118.336 2.324 19998 3540 1 19 . 1 1 14 14 ASN HA H 14 4.638 4.638 4.903 -0.265 19998 3541 1 19 . 1 1 14 14 ASN C C 14 171.412 171.412 173.445 -2.033 19998 3542 1 19 . 1 1 14 14 ASN CA C 14 52.806 52.806 51.829 0.977 19998 3543 1 19 . 1 1 14 14 ASN CB C 14 37.810 37.810 39.237 -1.427 19998 3544 1 19 . 1 1 14 14 ASN H H 14 7.613 7.613 7.753 -0.140 19998 3545 1 19 . 1 1 15 15 ASP N N 15 124.062 124.062 121.445 2.617 19998 3546 1 19 . 1 1 15 15 ASP HA H 15 4.110 4.110 4.510 -0.400 19998 3547 1 19 . 1 1 15 15 ASP C C 15 174.918 174.918 175.575 -0.657 19998 3548 1 19 . 1 1 15 15 ASP CA C 15 55.774 55.774 54.832 0.942 19998 3549 1 19 . 1 1 15 15 ASP CB C 15 41.360 41.360 40.600 0.760 19998 3550 1 19 . 1 1 15 15 ASP H H 15 8.695 8.695 8.043 0.652 19998 3551 1 19 . 1 1 16 16 GLN N N 16 127.008 127.008 122.681 4.327 19998 3552 1 19 . 1 1 16 16 GLN HA H 16 4.613 4.613 4.551 0.062 19998 3553 1 19 . 1 1 16 16 GLN C C 16 173.874 173.874 174.356 -0.482 19998 3554 1 19 . 1 1 16 16 GLN CA C 16 54.522 54.522 55.009 -0.487 19998 3555 1 19 . 1 1 16 16 GLN CB C 16 28.327 28.327 29.570 -1.243 19998 3556 1 19 . 1 1 16 16 GLN H H 16 8.041 8.041 8.551 -0.510 19998 3557 1 19 . 1 1 17 17 CYS N N 17 122.234 122.234 119.006 3.228 19998 3558 1 19 . 1 1 17 17 CYS HA H 17 4.983 4.983 4.814 0.169 19998 3559 1 19 . 1 1 17 17 CYS C C 17 173.908 173.908 174.896 -0.988 19998 3560 1 19 . 1 1 17 17 CYS CA C 17 56.486 56.486 57.751 -1.265 19998 3561 1 19 . 1 1 17 17 CYS CB C 17 38.906 38.906 30.572 8.334 19998 3562 1 19 . 1 1 17 17 CYS H H 17 9.314 9.314 8.175 1.139 19998 3563 1 19 . 1 1 18 18 CYS N N 18 118.883 118.883 122.717 -3.834 19998 3564 1 19 . 1 1 18 18 CYS HA H 18 4.608 4.608 4.540 0.068 19998 3565 1 19 . 1 1 18 18 CYS C C 18 172.722 172.722 176.063 -3.341 19998 3566 1 19 . 1 1 18 18 CYS CA C 18 55.521 55.521 58.944 -3.423 19998 3567 1 19 . 1 1 18 18 CYS CB C 18 41.367 41.367 25.863 15.504 19998 3568 1 19 . 1 1 18 18 CYS H H 18 9.192 9.192 8.611 0.581 19998 3569 1 19 . 1 1 19 19 LYS N N 19 131.730 131.730 126.734 4.996 19998 3570 1 19 . 1 1 19 19 LYS HA H 19 4.332 4.332 4.060 0.272 19998 3571 1 19 . 1 1 19 19 LYS C C 19 177.997 177.997 178.802 -0.805 19998 3572 1 19 . 1 1 19 19 LYS CA C 19 58.426 58.426 58.786 -0.360 19998 3573 1 19 . 1 1 19 19 LYS CB C 19 31.319 31.319 32.030 -0.711 19998 3574 1 19 . 1 1 19 19 LYS H H 19 8.890 8.890 8.399 0.491 19998 3575 1 19 . 1 1 20 20 SER N N 20 115.887 115.887 114.444 1.443 19998 3576 1 19 . 1 1 20 20 SER HA H 20 4.334 4.334 4.298 0.036 19998 3577 1 19 . 1 1 20 20 SER C C 20 172.946 172.946 175.385 -2.439 19998 3578 1 19 . 1 1 20 20 SER CA C 20 60.311 60.311 60.647 -0.336 19998 3579 1 19 . 1 1 20 20 SER CB C 20 62.327 62.327 62.386 -0.059 19998 3580 1 19 . 1 1 20 20 SER H H 20 8.856 8.856 8.635 0.221 19998 3581 1 19 . 1 1 21 21 SER N N 21 116.191 116.191 115.984 0.207 19998 3582 1 19 . 1 1 21 21 SER HA H 21 4.833 4.833 4.639 0.194 19998 3583 1 19 . 1 1 21 21 SER C C 21 170.505 170.505 172.944 -2.439 19998 3584 1 19 . 1 1 21 21 SER CA C 21 57.500 57.500 58.186 -0.686 19998 3585 1 19 . 1 1 21 21 SER CB C 21 63.852 63.852 63.597 0.255 19998 3586 1 19 . 1 1 21 21 SER H H 21 7.068 7.068 7.515 -0.447 19998 3587 1 19 . 1 1 22 22 SER N N 22 111.723 111.723 115.609 -3.886 19998 3588 1 19 . 1 1 22 22 SER HA H 22 4.099 4.099 4.105 -0.006 19998 3589 1 19 . 1 1 22 22 SER C C 22 170.369 170.369 172.834 -2.465 19998 3590 1 19 . 1 1 22 22 SER CA C 22 59.140 59.140 59.807 -0.667 19998 3591 1 19 . 1 1 22 22 SER CB C 22 61.339 61.339 61.335 0.004 19998 3592 1 19 . 1 1 22 22 SER H H 22 8.113 8.113 8.289 -0.176 19998 3593 1 19 . 1 1 23 23 LEU N N 23 115.988 115.988 118.943 -2.955 19998 3594 1 19 . 1 1 23 23 LEU HA H 23 4.898 4.898 4.948 -0.050 19998 3595 1 19 . 1 1 23 23 LEU C C 23 173.712 173.712 175.570 -1.858 19998 3596 1 19 . 1 1 23 23 LEU CA C 23 53.083 53.083 53.386 -0.303 19998 3597 1 19 . 1 1 23 23 LEU CB C 23 46.062 46.062 45.365 0.697 19998 3598 1 19 . 1 1 23 23 LEU H H 23 7.111 7.111 7.504 -0.393 19998 3599 1 19 . 1 1 24 24 ALA N N 24 119.898 119.898 121.083 -1.185 19998 3600 1 19 . 1 1 24 24 ALA HA H 24 4.466 4.466 4.568 -0.102 19998 3601 1 19 . 1 1 24 24 ALA C C 24 173.491 173.491 174.828 -1.337 19998 3602 1 19 . 1 1 24 24 ALA CA C 24 51.167 51.167 51.722 -0.555 19998 3603 1 19 . 1 1 24 24 ALA CB C 24 23.237 23.237 21.755 1.482 19998 3604 1 19 . 1 1 24 24 ALA H H 24 8.904 8.904 7.935 0.969 19998 3605 1 19 . 1 1 25 25 CYS N N 25 122.945 122.945 121.545 1.400 19998 3606 1 19 . 1 1 25 25 CYS HA H 25 4.452 4.452 5.087 -0.635 19998 3607 1 19 . 1 1 25 25 CYS C C 25 171.574 171.574 175.090 -3.516 19998 3608 1 19 . 1 1 25 25 CYS CA C 25 56.132 56.132 57.756 -1.624 19998 3609 1 19 . 1 1 25 25 CYS CB C 25 39.179 39.179 26.512 12.667 19998 3610 1 19 . 1 1 25 25 CYS H H 25 9.847 9.847 8.641 1.206 19998 3611 1 19 . 1 1 26 26 SER N N 26 122.285 122.285 122.668 -0.383 19998 3612 1 19 . 1 1 26 26 SER HA H 26 4.543 4.543 4.768 -0.225 19998 3613 1 19 . 1 1 26 26 SER CA C 26 57.773 57.773 57.703 0.070 19998 3614 1 19 . 1 1 26 26 SER CB C 26 63.789 63.789 65.621 -1.832 19998 3615 1 19 . 1 1 26 26 SER H H 26 7.791 7.791 8.298 -0.507 19998 3616 1 19 . 1 1 27 27 THR N N 27 122.390 122.390 120.868 1.522 19998 3617 1 19 . 1 1 27 27 THR HA H 27 3.778 3.778 4.242 -0.464 19998 3618 1 19 . 1 1 27 27 THR C C 27 172.781 172.781 175.027 -2.246 19998 3619 1 19 . 1 1 27 27 THR CA C 27 65.390 65.390 64.655 0.735 19998 3620 1 19 . 1 1 27 27 THR CB C 27 68.458 68.458 68.831 -0.373 19998 3621 1 19 . 1 1 27 27 THR H H 27 8.874 8.874 8.660 0.214 19998 3622 1 19 . 1 1 28 28 LYS N N 28 118.883 118.883 121.713 -2.830 19998 3623 1 19 . 1 1 28 28 LYS HA H 28 4.031 4.031 4.127 -0.096 19998 3624 1 19 . 1 1 28 28 LYS C C 28 174.613 174.613 176.659 -2.046 19998 3625 1 19 . 1 1 28 28 LYS CA C 28 57.799 57.799 58.450 -0.651 19998 3626 1 19 . 1 1 28 28 LYS CB C 28 33.164 33.164 32.216 0.948 19998 3627 1 19 . 1 1 28 28 LYS H H 28 7.609 7.609 8.027 -0.418 19998 3628 1 19 . 1 1 29 29 HIS N N 29 113.398 113.398 115.051 -1.653 19998 3629 1 19 . 1 1 29 29 HIS HA H 29 4.284 4.284 4.595 -0.311 19998 3630 1 19 . 1 1 29 29 HIS CA C 29 55.586 55.586 55.605 -0.019 19998 3631 1 19 . 1 1 29 29 HIS CB C 29 29.062 29.062 30.666 -1.603 19998 3632 1 19 . 1 1 29 29 HIS H H 29 7.450 7.450 8.008 -0.558 19998 3633 1 19 . 1 1 30 30 LYS N N 30 116.344 116.344 118.999 -2.655 19998 3634 1 19 . 1 1 30 30 LYS HA H 30 3.888 3.888 4.216 -0.328 19998 3635 1 19 . 1 1 30 30 LYS CA C 30 57.500 57.500 57.336 0.165 19998 3636 1 19 . 1 1 30 30 LYS CB C 30 29.609 29.609 30.634 -1.025 19998 3637 1 19 . 1 1 30 30 LYS H H 30 8.261 8.261 8.429 -0.168 19998 3638 1 19 . 1 1 31 31 TRP N N 31 117.766 117.766 114.955 2.811 19998 3639 1 19 . 1 1 31 31 TRP HA H 31 5.477 5.477 4.930 0.547 19998 3640 1 19 . 1 1 31 31 TRP C C 31 174.754 174.754 174.159 0.595 19998 3641 1 19 . 1 1 31 31 TRP CA C 31 55.756 55.756 54.342 1.414 19998 3642 1 19 . 1 1 31 31 TRP CB C 31 30.976 30.976 29.849 1.127 19998 3643 1 19 . 1 1 31 31 TRP H H 31 8.483 8.483 7.736 0.747 19998 3644 1 19 . 1 1 32 32 CYS N N 32 118.984 118.984 122.746 -3.762 19998 3645 1 19 . 1 1 32 32 CYS HA H 32 4.747 4.747 4.368 0.379 19998 3646 1 19 . 1 1 32 32 CYS C C 32 171.472 171.472 174.638 -3.166 19998 3647 1 19 . 1 1 32 32 CYS CA C 32 54.733 54.733 59.090 -4.357 19998 3648 1 19 . 1 1 32 32 CYS CB C 32 39.524 39.524 24.662 14.862 19998 3649 1 19 . 1 1 32 32 CYS H H 32 8.474 8.474 8.384 0.090 19998 3650 1 19 . 1 1 33 33 LYS N N 33 124.672 124.672 123.892 0.780 19998 3651 1 19 . 1 1 33 33 LYS HA H 33 4.717 4.717 4.135 0.582 19998 3652 1 19 . 1 1 33 33 LYS C C 33 172.236 172.236 175.443 -3.207 19998 3653 1 19 . 1 1 33 33 LYS CA C 33 54.730 54.730 54.081 0.649 19998 3654 1 19 . 1 1 33 33 LYS CB C 33 35.429 35.429 33.968 1.461 19998 3655 1 19 . 1 1 33 33 LYS H H 33 9.027 9.027 8.390 0.637 19998 3656 1 19 . 1 1 34 34 TYR N N 34 120.102 120.102 122.886 -2.784 19998 3657 1 19 . 1 1 34 34 TYR HA H 34 4.878 4.878 4.547 0.331 19998 3658 1 19 . 1 1 34 34 TYR C C 34 174.034 174.034 176.844 -2.810 19998 3659 1 19 . 1 1 34 34 TYR CA C 34 59.262 59.262 58.558 0.704 19998 3660 1 19 . 1 1 34 34 TYR CB C 34 38.633 38.633 37.891 0.742 19998 3661 1 19 . 1 1 34 34 TYR H H 34 8.092 8.092 8.711 -0.619 19998 3662 1 19 . 1 1 35 35 GLU N N 35 124.362 124.362 125.623 -1.261 19998 3663 1 19 . 1 1 35 35 GLU HA H 35 4.462 4.462 4.383 0.079 19998 3664 1 19 . 1 1 35 35 GLU C C 35 172.127 172.127 175.328 -3.201 19998 3665 1 19 . 1 1 35 35 GLU CA C 35 56.267 56.267 56.873 -0.606 19998 3666 1 19 . 1 1 35 35 GLU CB C 35 30.852 30.852 29.372 1.480 19998 3667 1 19 . 1 1 35 35 GLU H H 35 8.754 8.754 8.632 0.122 19998 3668 1 20 . 1 1 2 2 ALA N N 2 123.910 123.910 125.302 -1.392 19998 3669 1 20 . 1 1 2 2 ALA HA H 2 4.464 4.464 4.771 -0.307 19998 3670 1 20 . 1 1 2 2 ALA C C 2 174.673 174.673 176.313 -1.640 19998 3671 1 20 . 1 1 2 2 ALA CA C 2 52.168 52.168 52.208 -0.040 19998 3672 1 20 . 1 1 2 2 ALA CB C 2 19.690 19.690 19.187 0.503 19998 3673 1 20 . 1 1 2 2 ALA H H 2 8.561 8.561 8.449 0.112 19998 3674 1 20 . 1 1 3 3 CYS N N 3 117.207 117.207 118.822 -1.615 19998 3675 1 20 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.646 0.319 19998 3676 1 20 . 1 1 3 3 CYS C C 3 170.808 170.808 172.669 -1.861 19998 3677 1 20 . 1 1 3 3 CYS CA C 3 54.754 54.754 57.321 -2.567 19998 3678 1 20 . 1 1 3 3 CYS CB C 3 44.067 44.067 29.195 14.872 19998 3679 1 20 . 1 1 3 3 CYS H H 3 8.335 8.335 8.140 0.195 19998 3680 1 20 . 1 1 4 4 LEU N N 4 121.828 121.828 122.800 -0.972 19998 3681 1 20 . 1 1 4 4 LEU HA H 4 4.345 4.345 4.613 -0.268 19998 3682 1 20 . 1 1 4 4 LEU C C 4 172.234 172.234 177.216 -4.982 19998 3683 1 20 . 1 1 4 4 LEU CA C 4 54.223 54.223 54.057 0.166 19998 3684 1 20 . 1 1 4 4 LEU CB C 4 44.578 44.578 43.795 0.783 19998 3685 1 20 . 1 1 4 4 LEU H H 4 8.815 8.815 8.393 0.422 19998 3686 1 20 . 1 1 5 5 GLY N N 5 107.508 107.508 110.439 -2.931 19998 3687 1 20 . 1 1 5 5 GLY C C 5 169.768 169.768 173.398 -3.630 19998 3688 1 20 . 1 1 5 5 GLY CA C 5 43.052 43.052 43.948 -0.896 19998 3689 1 20 . 1 1 5 5 GLY H H 5 7.999 7.999 8.307 -0.308 19998 3690 1 20 . 1 1 6 6 PHE N N 6 116.953 116.953 120.412 -3.459 19998 3691 1 20 . 1 1 6 6 PHE HA H 6 3.619 3.619 3.971 -0.352 19998 3692 1 20 . 1 1 6 6 PHE C C 6 174.967 174.967 176.625 -1.658 19998 3693 1 20 . 1 1 6 6 PHE CA C 6 60.101 60.101 58.851 1.250 19998 3694 1 20 . 1 1 6 6 PHE CB C 6 39.506 39.506 39.092 0.414 19998 3695 1 20 . 1 1 6 6 PHE H H 6 8.392 8.392 8.463 -0.071 19998 3696 1 20 . 1 1 7 7 GLY N N 7 115.074 115.074 114.806 0.268 19998 3697 1 20 . 1 1 7 7 GLY C C 7 171.017 171.017 173.860 -2.843 19998 3698 1 20 . 1 1 7 7 GLY CA C 7 44.844 44.844 44.844 -0.000 19998 3699 1 20 . 1 1 7 7 GLY H H 7 8.645 8.645 7.357 1.288 19998 3700 1 20 . 1 1 8 8 LYS N N 8 120.051 120.051 120.465 -0.414 19998 3701 1 20 . 1 1 8 8 LYS HA H 8 4.313 4.313 4.616 -0.303 19998 3702 1 20 . 1 1 8 8 LYS C C 8 173.878 173.878 176.025 -2.147 19998 3703 1 20 . 1 1 8 8 LYS CA C 8 54.570 54.570 54.124 0.446 19998 3704 1 20 . 1 1 8 8 LYS CB C 8 32.391 32.391 34.126 -1.734 19998 3705 1 20 . 1 1 8 8 LYS H H 8 7.429 7.429 7.374 0.055 19998 3706 1 20 . 1 1 9 9 SER N N 9 117.004 117.004 117.549 -0.545 19998 3707 1 20 . 1 1 9 9 SER HA H 9 4.315 4.315 4.662 -0.347 19998 3708 1 20 . 1 1 9 9 SER C C 9 170.486 170.486 174.285 -3.799 19998 3709 1 20 . 1 1 9 9 SER CB C 9 63.355 63.355 62.917 0.438 19998 3710 1 20 . 1 1 9 9 SER H H 9 8.542 8.542 8.529 0.013 19998 3711 1 20 . 1 1 10 10 CYS N N 10 119.238 119.238 121.009 -1.771 19998 3712 1 20 . 1 1 10 10 CYS HA H 10 4.833 4.833 4.768 0.065 19998 3713 1 20 . 1 1 10 10 CYS C C 10 168.106 168.106 173.000 -4.894 19998 3714 1 20 . 1 1 10 10 CYS CA C 10 53.907 53.907 55.903 -1.996 19998 3715 1 20 . 1 1 10 10 CYS CB C 10 45.841 45.841 30.219 15.622 19998 3716 1 20 . 1 1 10 10 CYS H H 10 8.188 8.188 8.373 -0.185 19998 3717 1 20 . 1 1 11 11 ASN N N 11 119.594 119.594 118.932 0.662 19998 3718 1 20 . 1 1 11 11 ASN HA H 11 5.124 5.124 5.191 -0.067 19998 3719 1 20 . 1 1 11 11 ASN CA C 11 48.476 48.476 49.756 -1.280 19998 3720 1 20 . 1 1 11 11 ASN CB C 11 40.000 40.000 41.065 -1.065 19998 3721 1 20 . 1 1 11 11 ASN H H 11 9.129 9.129 8.617 0.512 19998 3722 1 20 . 1 1 12 12 PRO HA H 12 3.848 3.848 4.474 -0.626 19998 3723 1 20 . 1 1 12 12 PRO C C 12 174.197 174.197 178.313 -4.116 19998 3724 1 20 . 1 1 12 12 PRO CA C 12 64.689 64.689 65.000 -0.311 19998 3725 1 20 . 1 1 12 12 PRO CB C 12 31.883 31.883 32.242 -0.360 19998 3726 1 20 . 1 1 13 13 SER N N 13 110.351 110.351 112.572 -2.221 19998 3727 1 20 . 1 1 13 13 SER HA H 13 4.394 4.394 4.249 0.145 19998 3728 1 20 . 1 1 13 13 SER C C 13 170.980 170.980 174.167 -3.187 19998 3729 1 20 . 1 1 13 13 SER CA C 13 59.326 59.326 59.963 -0.637 19998 3730 1 20 . 1 1 13 13 SER CB C 13 63.380 63.380 63.140 0.240 19998 3731 1 20 . 1 1 13 13 SER H H 13 7.785 7.785 8.403 -0.618 19998 3732 1 20 . 1 1 14 14 ASN N N 14 120.660 120.660 117.936 2.724 19998 3733 1 20 . 1 1 14 14 ASN HA H 14 4.638 4.638 4.853 -0.215 19998 3734 1 20 . 1 1 14 14 ASN C C 14 171.412 171.412 173.484 -2.072 19998 3735 1 20 . 1 1 14 14 ASN CA C 14 52.806 52.806 52.082 0.724 19998 3736 1 20 . 1 1 14 14 ASN CB C 14 37.810 37.810 39.305 -1.495 19998 3737 1 20 . 1 1 14 14 ASN H H 14 7.613 7.613 7.822 -0.209 19998 3738 1 20 . 1 1 15 15 ASP N N 15 124.062 124.062 121.443 2.619 19998 3739 1 20 . 1 1 15 15 ASP HA H 15 4.110 4.110 4.546 -0.436 19998 3740 1 20 . 1 1 15 15 ASP C C 15 174.918 174.918 175.670 -0.752 19998 3741 1 20 . 1 1 15 15 ASP CA C 15 55.774 55.774 54.762 1.012 19998 3742 1 20 . 1 1 15 15 ASP CB C 15 41.360 41.360 40.510 0.850 19998 3743 1 20 . 1 1 15 15 ASP H H 15 8.695 8.695 8.045 0.650 19998 3744 1 20 . 1 1 16 16 GLN N N 16 127.008 127.008 123.336 3.672 19998 3745 1 20 . 1 1 16 16 GLN HA H 16 4.613 4.613 4.531 0.082 19998 3746 1 20 . 1 1 16 16 GLN C C 16 173.874 173.874 174.364 -0.490 19998 3747 1 20 . 1 1 16 16 GLN CA C 16 54.522 54.522 55.180 -0.658 19998 3748 1 20 . 1 1 16 16 GLN CB C 16 28.327 28.327 29.700 -1.373 19998 3749 1 20 . 1 1 16 16 GLN H H 16 8.041 8.041 8.610 -0.569 19998 3750 1 20 . 1 1 17 17 CYS N N 17 122.234 122.234 119.058 3.176 19998 3751 1 20 . 1 1 17 17 CYS HA H 17 4.983 4.983 4.810 0.173 19998 3752 1 20 . 1 1 17 17 CYS C C 17 173.908 173.908 174.847 -0.939 19998 3753 1 20 . 1 1 17 17 CYS CA C 17 56.486 56.486 57.731 -1.245 19998 3754 1 20 . 1 1 17 17 CYS CB C 17 38.906 38.906 30.491 8.415 19998 3755 1 20 . 1 1 17 17 CYS H H 17 9.314 9.314 8.128 1.186 19998 3756 1 20 . 1 1 18 18 CYS N N 18 118.883 118.883 122.649 -3.766 19998 3757 1 20 . 1 1 18 18 CYS HA H 18 4.608 4.608 4.525 0.083 19998 3758 1 20 . 1 1 18 18 CYS C C 18 172.722 172.722 176.009 -3.287 19998 3759 1 20 . 1 1 18 18 CYS CA C 18 55.521 55.521 59.143 -3.622 19998 3760 1 20 . 1 1 18 18 CYS CB C 18 41.367 41.367 26.251 15.116 19998 3761 1 20 . 1 1 18 18 CYS H H 18 9.192 9.192 8.576 0.616 19998 3762 1 20 . 1 1 19 19 LYS N N 19 131.730 131.730 126.515 5.215 19998 3763 1 20 . 1 1 19 19 LYS HA H 19 4.332 4.332 4.112 0.220 19998 3764 1 20 . 1 1 19 19 LYS C C 19 177.997 177.997 178.842 -0.845 19998 3765 1 20 . 1 1 19 19 LYS CA C 19 58.426 58.426 58.919 -0.493 19998 3766 1 20 . 1 1 19 19 LYS CB C 19 31.319 31.319 32.248 -0.929 19998 3767 1 20 . 1 1 19 19 LYS H H 19 8.890 8.890 8.592 0.298 19998 3768 1 20 . 1 1 20 20 SER N N 20 115.887 115.887 114.711 1.176 19998 3769 1 20 . 1 1 20 20 SER HA H 20 4.334 4.334 4.238 0.096 19998 3770 1 20 . 1 1 20 20 SER C C 20 172.946 172.946 175.334 -2.388 19998 3771 1 20 . 1 1 20 20 SER CA C 20 60.311 60.311 60.718 -0.407 19998 3772 1 20 . 1 1 20 20 SER CB C 20 62.327 62.327 62.901 -0.574 19998 3773 1 20 . 1 1 20 20 SER H H 20 8.856 8.856 8.742 0.114 19998 3774 1 20 . 1 1 21 21 SER N N 21 116.191 116.191 114.423 1.768 19998 3775 1 20 . 1 1 21 21 SER HA H 21 4.833 4.833 4.654 0.179 19998 3776 1 20 . 1 1 21 21 SER C C 21 170.505 170.505 173.308 -2.803 19998 3777 1 20 . 1 1 21 21 SER CA C 21 57.500 57.500 57.889 -0.389 19998 3778 1 20 . 1 1 21 21 SER CB C 21 63.852 63.852 63.357 0.495 19998 3779 1 20 . 1 1 21 21 SER H H 21 7.068 7.068 7.599 -0.531 19998 3780 1 20 . 1 1 22 22 SER N N 22 111.723 111.723 115.616 -3.893 19998 3781 1 20 . 1 1 22 22 SER HA H 22 4.099 4.099 4.121 -0.022 19998 3782 1 20 . 1 1 22 22 SER C C 22 170.369 170.369 173.110 -2.741 19998 3783 1 20 . 1 1 22 22 SER CA C 22 59.140 59.140 59.758 -0.619 19998 3784 1 20 . 1 1 22 22 SER CB C 22 61.339 61.339 61.425 -0.085 19998 3785 1 20 . 1 1 22 22 SER H H 22 8.113 8.113 8.204 -0.091 19998 3786 1 20 . 1 1 23 23 LEU N N 23 115.988 115.988 118.522 -2.534 19998 3787 1 20 . 1 1 23 23 LEU HA H 23 4.898 4.898 4.913 -0.015 19998 3788 1 20 . 1 1 23 23 LEU C C 23 173.712 173.712 175.662 -1.950 19998 3789 1 20 . 1 1 23 23 LEU CA C 23 53.083 53.083 53.306 -0.223 19998 3790 1 20 . 1 1 23 23 LEU CB C 23 46.062 46.062 45.612 0.450 19998 3791 1 20 . 1 1 23 23 LEU H H 23 7.111 7.111 7.560 -0.449 19998 3792 1 20 . 1 1 24 24 ALA N N 24 119.898 119.898 120.820 -0.922 19998 3793 1 20 . 1 1 24 24 ALA HA H 24 4.466 4.466 4.654 -0.188 19998 3794 1 20 . 1 1 24 24 ALA C C 24 173.491 173.491 174.715 -1.224 19998 3795 1 20 . 1 1 24 24 ALA CA C 24 51.167 51.167 51.761 -0.594 19998 3796 1 20 . 1 1 24 24 ALA CB C 24 23.237 23.237 21.640 1.597 19998 3797 1 20 . 1 1 24 24 ALA H H 24 8.904 8.904 7.798 1.106 19998 3798 1 20 . 1 1 25 25 CYS N N 25 122.945 122.945 121.122 1.823 19998 3799 1 20 . 1 1 25 25 CYS HA H 25 4.452 4.452 4.950 -0.498 19998 3800 1 20 . 1 1 25 25 CYS C C 25 171.574 171.574 175.186 -3.612 19998 3801 1 20 . 1 1 25 25 CYS CA C 25 56.132 56.132 57.665 -1.533 19998 3802 1 20 . 1 1 25 25 CYS CB C 25 39.179 39.179 26.598 12.581 19998 3803 1 20 . 1 1 25 25 CYS H H 25 9.847 9.847 8.684 1.163 19998 3804 1 20 . 1 1 26 26 SER N N 26 122.285 122.285 122.918 -0.633 19998 3805 1 20 . 1 1 26 26 SER HA H 26 4.543 4.543 4.725 -0.182 19998 3806 1 20 . 1 1 26 26 SER CA C 26 57.773 57.773 57.089 0.684 19998 3807 1 20 . 1 1 26 26 SER CB C 26 63.789 63.789 65.762 -1.973 19998 3808 1 20 . 1 1 26 26 SER H H 26 7.791 7.791 8.415 -0.624 19998 3809 1 20 . 1 1 27 27 THR N N 27 122.390 122.390 121.181 1.209 19998 3810 1 20 . 1 1 27 27 THR HA H 27 3.778 3.778 4.198 -0.420 19998 3811 1 20 . 1 1 27 27 THR C C 27 172.781 172.781 174.967 -2.186 19998 3812 1 20 . 1 1 27 27 THR CA C 27 65.390 65.390 64.518 0.872 19998 3813 1 20 . 1 1 27 27 THR CB C 27 68.458 68.458 68.832 -0.374 19998 3814 1 20 . 1 1 27 27 THR H H 27 8.874 8.874 8.711 0.163 19998 3815 1 20 . 1 1 28 28 LYS N N 28 118.883 118.883 121.649 -2.766 19998 3816 1 20 . 1 1 28 28 LYS HA H 28 4.031 4.031 4.126 -0.095 19998 3817 1 20 . 1 1 28 28 LYS C C 28 174.613 174.613 176.802 -2.189 19998 3818 1 20 . 1 1 28 28 LYS CA C 28 57.799 57.799 58.242 -0.443 19998 3819 1 20 . 1 1 28 28 LYS CB C 28 33.164 33.164 32.234 0.930 19998 3820 1 20 . 1 1 28 28 LYS H H 28 7.609 7.609 7.981 -0.372 19998 3821 1 20 . 1 1 29 29 HIS N N 29 113.398 113.398 115.430 -2.032 19998 3822 1 20 . 1 1 29 29 HIS HA H 29 4.284 4.284 4.603 -0.319 19998 3823 1 20 . 1 1 29 29 HIS CA C 29 55.586 55.586 55.653 -0.067 19998 3824 1 20 . 1 1 29 29 HIS CB C 29 29.062 29.062 30.416 -1.354 19998 3825 1 20 . 1 1 29 29 HIS H H 29 7.450 7.450 7.939 -0.489 19998 3826 1 20 . 1 1 30 30 LYS N N 30 116.344 116.344 118.907 -2.563 19998 3827 1 20 . 1 1 30 30 LYS HA H 30 3.888 3.888 4.217 -0.329 19998 3828 1 20 . 1 1 30 30 LYS CA C 30 57.500 57.500 57.327 0.173 19998 3829 1 20 . 1 1 30 30 LYS CB C 30 29.609 29.609 30.695 -1.086 19998 3830 1 20 . 1 1 30 30 LYS H H 30 8.261 8.261 8.420 -0.159 19998 3831 1 20 . 1 1 31 31 TRP N N 31 117.766 117.766 114.903 2.863 19998 3832 1 20 . 1 1 31 31 TRP HA H 31 5.477 5.477 4.994 0.483 19998 3833 1 20 . 1 1 31 31 TRP C C 31 174.754 174.754 174.316 0.438 19998 3834 1 20 . 1 1 31 31 TRP CA C 31 55.756 55.756 54.321 1.435 19998 3835 1 20 . 1 1 31 31 TRP CB C 31 30.976 30.976 29.770 1.206 19998 3836 1 20 . 1 1 31 31 TRP H H 31 8.483 8.483 7.685 0.798 19998 3837 1 20 . 1 1 32 32 CYS N N 32 118.984 118.984 123.149 -4.165 19998 3838 1 20 . 1 1 32 32 CYS HA H 32 4.747 4.747 4.417 0.330 19998 3839 1 20 . 1 1 32 32 CYS C C 32 171.472 171.472 174.689 -3.217 19998 3840 1 20 . 1 1 32 32 CYS CA C 32 54.733 54.733 59.206 -4.473 19998 3841 1 20 . 1 1 32 32 CYS CB C 32 39.524 39.524 24.598 14.926 19998 3842 1 20 . 1 1 32 32 CYS H H 32 8.474 8.474 8.392 0.082 19998 3843 1 20 . 1 1 33 33 LYS N N 33 124.672 124.672 123.911 0.761 19998 3844 1 20 . 1 1 33 33 LYS HA H 33 4.717 4.717 4.119 0.598 19998 3845 1 20 . 1 1 33 33 LYS C C 33 172.236 172.236 175.458 -3.222 19998 3846 1 20 . 1 1 33 33 LYS CA C 33 54.730 54.730 54.062 0.668 19998 3847 1 20 . 1 1 33 33 LYS CB C 33 35.429 35.429 33.987 1.442 19998 3848 1 20 . 1 1 33 33 LYS H H 33 9.027 9.027 8.183 0.844 19998 3849 1 20 . 1 1 34 34 TYR N N 34 120.102 120.102 122.953 -2.851 19998 3850 1 20 . 1 1 34 34 TYR HA H 34 4.878 4.878 4.548 0.330 19998 3851 1 20 . 1 1 34 34 TYR C C 34 174.034 174.034 176.843 -2.809 19998 3852 1 20 . 1 1 34 34 TYR CA C 34 59.262 59.262 58.667 0.595 19998 3853 1 20 . 1 1 34 34 TYR CB C 34 38.633 38.633 37.877 0.756 19998 3854 1 20 . 1 1 34 34 TYR H H 34 8.092 8.092 8.720 -0.628 19998 3855 1 20 . 1 1 35 35 GLU N N 35 124.362 124.362 126.280 -1.918 19998 3856 1 20 . 1 1 35 35 GLU HA H 35 4.462 4.462 4.421 0.041 19998 3857 1 20 . 1 1 35 35 GLU C C 35 172.127 172.127 175.201 -3.074 19998 3858 1 20 . 1 1 35 35 GLU CA C 35 56.267 56.267 56.773 -0.506 19998 3859 1 20 . 1 1 35 35 GLU CB C 35 30.852 30.852 30.098 0.754 19998 3860 1 20 . 1 1 35 35 GLU H H 35 8.754 8.754 8.561 0.193 19998 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 33 2.540 0.522 2.524 19998 2 1 1 "Average Difference" HA 36 0.322 0.056 0.322 19998 3 1 1 "Average Difference" C 30 2.799 2.497 1.286 19998 4 1 1 "Average Difference" CA 33 1.392 0.481 1.327 19998 5 1 1 "Average Difference" CB 32 6.084 -2.583 5.597 19998 6 1 1 "Average Difference" HN 33 0.566 -0.138 0.557 19998 7 1 2 "Average Difference" N 33 2.598 0.422 2.604 19998 8 1 2 "Average Difference" HA 36 0.313 0.058 0.312 19998 9 1 2 "Average Difference" C 30 2.761 2.463 1.268 19998 10 1 2 "Average Difference" CA 33 1.346 0.384 1.310 19998 11 1 2 "Average Difference" CB 32 6.053 -2.525 5.589 19998 12 1 2 "Average Difference" HN 33 0.562 -0.151 0.550 19998 13 1 3 "Average Difference" N 33 2.501 0.342 2.516 19998 14 1 3 "Average Difference" HA 36 0.332 0.048 0.333 19998 15 1 3 "Average Difference" C 30 2.838 2.521 1.326 19998 16 1 3 "Average Difference" CA 33 1.357 0.429 1.308 19998 17 1 3 "Average Difference" CB 32 6.090 -2.580 5.605 19998 18 1 3 "Average Difference" HN 33 0.572 -0.144 0.562 19998 19 1 4 "Average Difference" N 33 2.341 0.441 2.335 19998 20 1 4 "Average Difference" HA 36 0.316 0.056 0.316 19998 21 1 4 "Average Difference" C 30 2.800 2.470 1.340 19998 22 1 4 "Average Difference" CA 33 1.403 0.456 1.348 19998 23 1 4 "Average Difference" CB 32 6.069 -2.506 5.616 19998 24 1 4 "Average Difference" HN 33 0.578 -0.150 0.567 19998 25 1 5 "Average Difference" N 33 2.591 0.500 2.582 19998 26 1 5 "Average Difference" HA 36 0.327 0.062 0.326 19998 27 1 5 "Average Difference" C 30 2.866 2.549 1.333 19998 28 1 5 "Average Difference" CA 33 1.369 0.430 1.320 19998 29 1 5 "Average Difference" CB 32 6.060 -2.527 5.596 19998 30 1 5 "Average Difference" HN 33 0.583 -0.139 0.575 19998 31 1 6 "Average Difference" N 33 2.416 0.390 2.422 19998 32 1 6 "Average Difference" HA 36 0.320 0.070 0.317 19998 33 1 6 "Average Difference" C 30 2.784 2.466 1.314 19998 34 1 6 "Average Difference" CA 33 1.399 0.417 1.357 19998 35 1 6 "Average Difference" CB 32 6.065 -2.537 5.597 19998 36 1 6 "Average Difference" HN 33 0.573 -0.145 0.563 19998 37 1 7 "Average Difference" N 33 2.436 0.350 2.448 19998 38 1 7 "Average Difference" HA 36 0.326 0.065 0.324 19998 39 1 7 "Average Difference" C 30 2.825 2.512 1.313 19998 40 1 7 "Average Difference" CA 33 1.389 0.456 1.332 19998 41 1 7 "Average Difference" CB 32 6.064 -2.519 5.605 19998 42 1 7 "Average Difference" HN 33 0.579 -0.118 0.576 19998 43 1 8 "Average Difference" N 33 2.543 0.365 2.556 19998 44 1 8 "Average Difference" HA 36 0.325 0.075 0.321 19998 45 1 8 "Average Difference" C 30 2.759 2.441 1.308 19998 46 1 8 "Average Difference" CA 33 1.360 0.419 1.314 19998 47 1 8 "Average Difference" CB 32 6.047 -2.524 5.583 19998 48 1 8 "Average Difference" HN 33 0.575 -0.161 0.561 19998 49 1 9 "Average Difference" N 33 2.612 0.550 2.593 19998 50 1 9 "Average Difference" HA 36 0.317 0.068 0.314 19998 51 1 9 "Average Difference" C 30 2.802 2.484 1.318 19998 52 1 9 "Average Difference" CA 33 1.392 0.404 1.352 19998 53 1 9 "Average Difference" CB 32 6.048 -2.569 5.563 19998 54 1 9 "Average Difference" HN 33 0.567 -0.146 0.556 19998 55 1 10 "Average Difference" N 33 2.572 0.600 2.540 19998 56 1 10 "Average Difference" HA 36 0.323 0.077 0.318 19998 57 1 10 "Average Difference" C 30 2.799 2.497 1.286 19998 58 1 10 "Average Difference" CA 33 1.378 0.385 1.344 19998 59 1 10 "Average Difference" CB 32 6.015 -2.442 5.585 19998 60 1 10 "Average Difference" HN 33 0.578 -0.132 0.572 19998 61 1 11 "Average Difference" N 33 2.478 0.586 2.445 19998 62 1 11 "Average Difference" HA 36 0.328 0.076 0.323 19998 63 1 11 "Average Difference" C 30 2.819 2.509 1.305 19998 64 1 11 "Average Difference" CA 33 1.403 0.405 1.364 19998 65 1 11 "Average Difference" CB 32 6.073 -2.504 5.622 19998 66 1 11 "Average Difference" HN 33 0.583 -0.152 0.572 19998 67 1 12 "Average Difference" N 33 2.568 0.418 2.573 19998 68 1 12 "Average Difference" HA 36 0.322 0.071 0.319 19998 69 1 12 "Average Difference" C 30 2.848 2.507 1.374 19998 70 1 12 "Average Difference" CA 33 1.364 0.362 1.336 19998 71 1 12 "Average Difference" CB 32 6.060 -2.548 5.586 19998 72 1 12 "Average Difference" HN 33 0.587 -0.135 0.580 19998 73 1 13 "Average Difference" N 33 2.515 0.472 2.508 19998 74 1 13 "Average Difference" HA 36 0.326 0.070 0.323 19998 75 1 13 "Average Difference" C 30 2.737 2.437 1.268 19998 76 1 13 "Average Difference" CA 33 1.346 0.438 1.293 19998 77 1 13 "Average Difference" CB 32 6.043 -2.504 5.588 19998 78 1 13 "Average Difference" HN 33 0.581 -0.140 0.572 19998 79 1 14 "Average Difference" N 33 2.535 0.594 2.503 19998 80 1 14 "Average Difference" HA 36 0.315 0.061 0.313 19998 81 1 14 "Average Difference" C 30 2.775 2.458 1.309 19998 82 1 14 "Average Difference" CA 33 1.365 0.430 1.316 19998 83 1 14 "Average Difference" CB 32 6.074 -2.485 5.632 19998 84 1 14 "Average Difference" HN 33 0.593 -0.163 0.579 19998 85 1 15 "Average Difference" N 33 2.558 0.377 2.569 19998 86 1 15 "Average Difference" HA 36 0.315 0.066 0.313 19998 87 1 15 "Average Difference" C 30 2.829 2.511 1.327 19998 88 1 15 "Average Difference" CA 33 1.367 0.398 1.328 19998 89 1 15 "Average Difference" CB 32 6.003 -2.521 5.535 19998 90 1 15 "Average Difference" HN 33 0.591 -0.150 0.581 19998 91 1 16 "Average Difference" N 33 2.676 0.607 2.647 19998 92 1 16 "Average Difference" HA 36 0.320 0.067 0.317 19998 93 1 16 "Average Difference" C 30 2.815 2.524 1.267 19998 94 1 16 "Average Difference" CA 33 1.306 0.431 1.252 19998 95 1 16 "Average Difference" CB 32 6.061 -2.510 5.605 19998 96 1 16 "Average Difference" HN 33 0.588 -0.156 0.576 19998 97 1 17 "Average Difference" N 33 2.602 0.342 2.620 19998 98 1 17 "Average Difference" HA 36 0.307 0.065 0.304 19998 99 1 17 "Average Difference" C 30 2.817 2.504 1.311 19998 100 1 17 "Average Difference" CA 33 1.351 0.372 1.319 19998 101 1 17 "Average Difference" CB 32 6.018 -2.543 5.541 19998 102 1 17 "Average Difference" HN 33 0.576 -0.147 0.565 19998 103 1 18 "Average Difference" N 33 2.619 0.517 2.607 19998 104 1 18 "Average Difference" HA 36 0.324 0.069 0.321 19998 105 1 18 "Average Difference" C 30 2.780 2.465 1.307 19998 106 1 18 "Average Difference" CA 33 1.385 0.476 1.321 19998 107 1 18 "Average Difference" CB 32 6.074 -2.569 5.593 19998 108 1 18 "Average Difference" HN 33 0.560 -0.144 0.550 19998 109 1 19 "Average Difference" N 33 2.443 0.418 2.444 19998 110 1 19 "Average Difference" HA 36 0.321 0.065 0.319 19998 111 1 19 "Average Difference" C 30 2.776 2.457 1.314 19998 112 1 19 "Average Difference" CA 33 1.332 0.446 1.275 19998 113 1 19 "Average Difference" CB 32 6.052 -2.589 5.558 19998 114 1 19 "Average Difference" HN 33 0.561 -0.133 0.553 19998 115 1 20 "Average Difference" N 33 2.479 0.467 2.472 19998 116 1 20 "Average Difference" HA 36 0.313 0.064 0.311 19998 117 1 20 "Average Difference" C 30 2.768 2.471 1.269 19998 118 1 20 "Average Difference" CA 33 1.351 0.454 1.292 19998 119 1 20 "Average Difference" CB 32 6.054 -2.500 5.602 19998 120 1 20 "Average Difference" HN 33 0.578 -0.136 0.570 19998 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 19998 _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 ALA N N 2 123.910 123.910 124.261 -0.351 19998 2 1 . 1 1 2 2 ALA HA H 2 4.464 4.464 4.796 -0.332 19998 3 1 . 1 1 2 2 ALA C C 2 174.673 174.673 176.318 -1.645 19998 4 1 . 1 1 2 2 ALA CA C 2 52.168 52.168 52.190 -0.022 19998 5 1 . 1 1 2 2 ALA CB C 2 19.690 19.690 18.864 0.826 19998 6 1 . 1 1 2 2 ALA H H 2 8.561 8.561 8.233 0.329 19998 7 1 . 1 1 3 3 CYS N N 3 117.207 117.207 118.861 -1.654 19998 8 1 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.667 0.298 19998 9 1 . 1 1 3 3 CYS C C 3 170.808 170.808 172.624 -1.816 19998 10 1 . 1 1 3 3 CYS CA C 3 54.754 54.754 57.290 -2.536 19998 11 1 . 1 1 3 3 CYS CB C 3 44.067 44.067 29.157 14.910 19998 12 1 . 1 1 3 3 CYS H H 3 8.335 8.335 8.214 0.121 19998 13 1 . 1 1 4 4 LEU N N 4 121.828 121.828 122.730 -0.902 19998 14 1 . 1 1 4 4 LEU HA H 4 4.345 4.345 4.613 -0.268 19998 15 1 . 1 1 4 4 LEU C C 4 172.234 172.234 177.202 -4.968 19998 16 1 . 1 1 4 4 LEU CA C 4 54.223 54.223 54.031 0.191 19998 17 1 . 1 1 4 4 LEU CB C 4 44.578 44.578 43.890 0.688 19998 18 1 . 1 1 4 4 LEU H H 4 8.815 8.815 8.378 0.437 19998 19 1 . 1 1 5 5 GLY N N 5 107.508 107.508 110.361 -2.853 19998 20 1 . 1 1 5 5 GLY C C 5 169.768 169.768 173.413 -3.645 19998 21 1 . 1 1 5 5 GLY CA C 5 43.052 43.052 43.962 -0.910 19998 22 1 . 1 1 5 5 GLY H H 5 7.999 7.999 8.318 -0.319 19998 23 1 . 1 1 6 6 PHE N N 6 116.953 116.953 120.448 -3.495 19998 24 1 . 1 1 6 6 PHE HA H 6 3.619 3.619 3.988 -0.369 19998 25 1 . 1 1 6 6 PHE C C 6 174.967 174.967 177.025 -2.058 19998 26 1 . 1 1 6 6 PHE CA C 6 60.101 60.101 58.684 1.417 19998 27 1 . 1 1 6 6 PHE CB C 6 39.506 39.506 39.127 0.379 19998 28 1 . 1 1 6 6 PHE H H 6 8.392 8.392 8.362 0.030 19998 29 1 . 1 1 7 7 GLY N N 7 115.074 115.074 114.963 0.111 19998 30 1 . 1 1 7 7 GLY C C 7 171.017 171.017 173.684 -2.667 19998 31 1 . 1 1 7 7 GLY CA C 7 44.844 44.844 44.783 0.061 19998 32 1 . 1 1 7 7 GLY H H 7 8.645 8.645 7.473 1.172 19998 33 1 . 1 1 8 8 LYS N N 8 120.051 120.051 120.661 -0.610 19998 34 1 . 1 1 8 8 LYS HA H 8 4.313 4.313 4.626 -0.313 19998 35 1 . 1 1 8 8 LYS C C 8 173.878 173.878 175.997 -2.119 19998 36 1 . 1 1 8 8 LYS CA C 8 54.570 54.570 54.162 0.408 19998 37 1 . 1 1 8 8 LYS CB C 8 32.391 32.391 34.173 -1.782 19998 38 1 . 1 1 8 8 LYS H H 8 7.429 7.429 7.375 0.054 19998 39 1 . 1 1 9 9 SER N N 9 117.004 117.004 117.099 -0.095 19998 40 1 . 1 1 9 9 SER HA H 9 4.315 4.315 4.665 -0.350 19998 41 1 . 1 1 9 9 SER C C 9 170.486 170.486 174.425 -3.939 19998 42 1 . 1 1 9 9 SER CB C 9 63.355 63.355 62.678 0.677 19998 43 1 . 1 1 9 9 SER H H 9 8.542 8.542 8.504 0.038 19998 44 1 . 1 1 10 10 CYS N N 10 119.238 119.238 121.266 -2.028 19998 45 1 . 1 1 10 10 CYS HA H 10 4.833 4.833 4.756 0.077 19998 46 1 . 1 1 10 10 CYS C C 10 168.106 168.106 173.410 -5.304 19998 47 1 . 1 1 10 10 CYS CA C 10 53.907 53.907 56.029 -2.122 19998 48 1 . 1 1 10 10 CYS CB C 10 45.841 45.841 30.338 15.503 19998 49 1 . 1 1 10 10 CYS H H 10 8.188 8.188 8.401 -0.213 19998 50 1 . 1 1 11 11 ASN N N 11 119.594 119.594 118.933 0.661 19998 51 1 . 1 1 11 11 ASN HA H 11 5.124 5.124 5.199 -0.075 19998 52 1 . 1 1 11 11 ASN CA C 11 48.476 48.476 49.641 -1.165 19998 53 1 . 1 1 11 11 ASN CB C 11 40.000 40.000 40.641 -0.641 19998 54 1 . 1 1 11 11 ASN H H 11 9.129 9.129 8.614 0.515 19998 55 1 . 1 1 12 12 PRO HA H 12 3.848 3.848 4.453 -0.605 19998 56 1 . 1 1 12 12 PRO C C 12 174.197 174.197 178.310 -4.113 19998 57 1 . 1 1 12 12 PRO CA C 12 64.689 64.689 64.818 -0.129 19998 58 1 . 1 1 12 12 PRO CB C 12 31.883 31.883 32.206 -0.323 19998 59 1 . 1 1 13 13 SER N N 13 110.351 110.351 112.622 -2.271 19998 60 1 . 1 1 13 13 SER HA H 13 4.394 4.394 4.246 0.148 19998 61 1 . 1 1 13 13 SER C C 13 170.980 170.980 174.063 -3.083 19998 62 1 . 1 1 13 13 SER CA C 13 59.326 59.326 60.039 -0.713 19998 63 1 . 1 1 13 13 SER CB C 13 63.380 63.380 63.021 0.359 19998 64 1 . 1 1 13 13 SER H H 13 7.785 7.785 8.423 -0.638 19998 65 1 . 1 1 14 14 ASN N N 14 120.660 120.660 118.225 2.435 19998 66 1 . 1 1 14 14 ASN HA H 14 4.638 4.638 4.864 -0.226 19998 67 1 . 1 1 14 14 ASN C C 14 171.412 171.412 173.499 -2.087 19998 68 1 . 1 1 14 14 ASN CA C 14 52.806 52.806 51.935 0.871 19998 69 1 . 1 1 14 14 ASN CB C 14 37.810 37.810 39.192 -1.383 19998 70 1 . 1 1 14 14 ASN H H 14 7.613 7.613 7.776 -0.163 19998 71 1 . 1 1 15 15 ASP N N 15 124.062 124.062 121.493 2.569 19998 72 1 . 1 1 15 15 ASP HA H 15 4.110 4.110 4.519 -0.409 19998 73 1 . 1 1 15 15 ASP C C 15 174.918 174.918 175.627 -0.710 19998 74 1 . 1 1 15 15 ASP CA C 15 55.774 55.774 54.851 0.923 19998 75 1 . 1 1 15 15 ASP CB C 15 41.360 41.360 40.701 0.659 19998 76 1 . 1 1 15 15 ASP H H 15 8.695 8.695 8.041 0.654 19998 77 1 . 1 1 16 16 GLN N N 16 127.008 127.008 122.896 4.112 19998 78 1 . 1 1 16 16 GLN HA H 16 4.613 4.613 4.548 0.065 19998 79 1 . 1 1 16 16 GLN C C 16 173.874 173.874 174.215 -0.341 19998 80 1 . 1 1 16 16 GLN CA C 16 54.522 54.522 54.942 -0.420 19998 81 1 . 1 1 16 16 GLN CB C 16 28.327 28.327 29.326 -0.999 19998 82 1 . 1 1 16 16 GLN H H 16 8.041 8.041 8.582 -0.541 19998 83 1 . 1 1 17 17 CYS N N 17 122.234 122.234 118.789 3.445 19998 84 1 . 1 1 17 17 CYS HA H 17 4.983 4.983 4.803 0.180 19998 85 1 . 1 1 17 17 CYS C C 17 173.908 173.908 174.812 -0.904 19998 86 1 . 1 1 17 17 CYS CA C 17 56.486 56.486 57.712 -1.226 19998 87 1 . 1 1 17 17 CYS CB C 17 38.906 38.906 30.612 8.294 19998 88 1 . 1 1 17 17 CYS H H 17 9.314 9.314 8.116 1.198 19998 89 1 . 1 1 18 18 CYS N N 18 118.883 118.883 122.629 -3.746 19998 90 1 . 1 1 18 18 CYS HA H 18 4.608 4.608 4.527 0.081 19998 91 1 . 1 1 18 18 CYS C C 18 172.722 172.722 175.993 -3.271 19998 92 1 . 1 1 18 18 CYS CA C 18 55.521 55.521 59.134 -3.613 19998 93 1 . 1 1 18 18 CYS CB C 18 41.367 41.367 26.095 15.272 19998 94 1 . 1 1 18 18 CYS H H 18 9.192 9.192 8.584 0.608 19998 95 1 . 1 1 19 19 LYS N N 19 131.730 131.730 126.683 5.047 19998 96 1 . 1 1 19 19 LYS HA H 19 4.332 4.332 4.095 0.237 19998 97 1 . 1 1 19 19 LYS C C 19 177.997 177.997 178.871 -0.874 19998 98 1 . 1 1 19 19 LYS CA C 19 58.426 58.426 58.887 -0.461 19998 99 1 . 1 1 19 19 LYS CB C 19 31.319 31.319 32.198 -0.879 19998 100 1 . 1 1 19 19 LYS H H 19 8.890 8.890 8.526 0.364 19998 101 1 . 1 1 20 20 SER N N 20 115.887 115.887 114.624 1.263 19998 102 1 . 1 1 20 20 SER HA H 20 4.334 4.334 4.274 0.060 19998 103 1 . 1 1 20 20 SER C C 20 172.946 172.946 175.516 -2.570 19998 104 1 . 1 1 20 20 SER CA C 20 60.311 60.311 60.703 -0.392 19998 105 1 . 1 1 20 20 SER CB C 20 62.327 62.327 62.662 -0.335 19998 106 1 . 1 1 20 20 SER H H 20 8.856 8.856 8.539 0.317 19998 107 1 . 1 1 21 21 SER N N 21 116.191 116.191 115.463 0.728 19998 108 1 . 1 1 21 21 SER HA H 21 4.833 4.833 4.594 0.239 19998 109 1 . 1 1 21 21 SER C C 21 170.505 170.505 173.255 -2.750 19998 110 1 . 1 1 21 21 SER CA C 21 57.500 57.500 57.983 -0.483 19998 111 1 . 1 1 21 21 SER CB C 21 63.852 63.852 63.551 0.301 19998 112 1 . 1 1 21 21 SER H H 21 7.068 7.068 7.531 -0.463 19998 113 1 . 1 1 22 22 SER N N 22 111.723 111.723 116.237 -4.514 19998 114 1 . 1 1 22 22 SER HA H 22 4.099 4.099 4.123 -0.024 19998 115 1 . 1 1 22 22 SER C C 22 170.369 170.369 172.958 -2.589 19998 116 1 . 1 1 22 22 SER CA C 22 59.140 59.140 59.611 -0.471 19998 117 1 . 1 1 22 22 SER CB C 22 61.339 61.339 61.610 -0.271 19998 118 1 . 1 1 22 22 SER H H 22 8.113 8.113 8.208 -0.095 19998 119 1 . 1 1 23 23 LEU N N 23 115.988 115.988 119.330 -3.342 19998 120 1 . 1 1 23 23 LEU HA H 23 4.898 4.898 4.920 -0.022 19998 121 1 . 1 1 23 23 LEU C C 23 173.712 173.712 175.439 -1.727 19998 122 1 . 1 1 23 23 LEU CA C 23 53.083 53.083 53.359 -0.276 19998 123 1 . 1 1 23 23 LEU CB C 23 46.062 46.062 45.488 0.574 19998 124 1 . 1 1 23 23 LEU H H 23 7.111 7.111 7.579 -0.468 19998 125 1 . 1 1 24 24 ALA N N 24 119.898 119.898 120.699 -0.801 19998 126 1 . 1 1 24 24 ALA HA H 24 4.466 4.466 4.648 -0.182 19998 127 1 . 1 1 24 24 ALA C C 24 173.491 173.491 174.719 -1.228 19998 128 1 . 1 1 24 24 ALA CA C 24 51.167 51.167 51.714 -0.547 19998 129 1 . 1 1 24 24 ALA CB C 24 23.237 23.237 21.730 1.507 19998 130 1 . 1 1 24 24 ALA H H 24 8.904 8.904 7.804 1.100 19998 131 1 . 1 1 25 25 CYS N N 25 122.945 122.945 121.275 1.670 19998 132 1 . 1 1 25 25 CYS HA H 25 4.452 4.452 5.009 -0.557 19998 133 1 . 1 1 25 25 CYS C C 25 171.574 171.574 175.080 -3.506 19998 134 1 . 1 1 25 25 CYS CA C 25 56.132 56.132 57.860 -1.728 19998 135 1 . 1 1 25 25 CYS CB C 25 39.179 39.179 26.583 12.596 19998 136 1 . 1 1 25 25 CYS H H 25 9.847 9.847 8.631 1.216 19998 137 1 . 1 1 26 26 SER N N 26 122.285 122.285 123.209 -0.924 19998 138 1 . 1 1 26 26 SER HA H 26 4.543 4.543 4.731 -0.188 19998 139 1 . 1 1 26 26 SER CA C 26 57.773 57.773 57.272 0.501 19998 140 1 . 1 1 26 26 SER CB C 26 63.789 63.789 65.761 -1.972 19998 141 1 . 1 1 26 26 SER H H 26 7.791 7.791 8.374 -0.583 19998 142 1 . 1 1 27 27 THR N N 27 122.390 122.390 120.927 1.463 19998 143 1 . 1 1 27 27 THR HA H 27 3.778 3.778 4.258 -0.480 19998 144 1 . 1 1 27 27 THR C C 27 172.781 172.781 175.136 -2.355 19998 145 1 . 1 1 27 27 THR CA C 27 65.390 65.390 64.276 1.114 19998 146 1 . 1 1 27 27 THR CB C 27 68.458 68.458 68.718 -0.260 19998 147 1 . 1 1 27 27 THR H H 27 8.874 8.874 8.674 0.200 19998 148 1 . 1 1 28 28 LYS N N 28 118.883 118.883 121.072 -2.189 19998 149 1 . 1 1 28 28 LYS HA H 28 4.031 4.031 4.182 -0.151 19998 150 1 . 1 1 28 28 LYS C C 28 174.613 174.613 176.923 -2.310 19998 151 1 . 1 1 28 28 LYS CA C 28 57.799 57.799 58.407 -0.608 19998 152 1 . 1 1 28 28 LYS CB C 28 33.164 33.164 32.390 0.774 19998 153 1 . 1 1 28 28 LYS H H 28 7.609 7.609 8.049 -0.440 19998 154 1 . 1 1 29 29 HIS N N 29 113.398 113.398 115.079 -1.681 19998 155 1 . 1 1 29 29 HIS HA H 29 4.284 4.284 4.621 -0.337 19998 156 1 . 1 1 29 29 HIS CA C 29 55.586 55.586 55.517 0.069 19998 157 1 . 1 1 29 29 HIS CB C 29 29.062 29.062 30.655 -1.593 19998 158 1 . 1 1 29 29 HIS H H 29 7.450 7.450 8.021 -0.571 19998 159 1 . 1 1 30 30 LYS N N 30 116.344 116.344 119.001 -2.657 19998 160 1 . 1 1 30 30 LYS HA H 30 3.888 3.888 4.216 -0.329 19998 161 1 . 1 1 30 30 LYS CA C 30 57.500 57.500 57.341 0.159 19998 162 1 . 1 1 30 30 LYS CB C 30 29.609 29.609 30.657 -1.048 19998 163 1 . 1 1 30 30 LYS H H 30 8.261 8.261 8.427 -0.166 19998 164 1 . 1 1 31 31 TRP N N 31 117.766 117.766 114.902 2.864 19998 165 1 . 1 1 31 31 TRP HA H 31 5.477 5.477 5.008 0.469 19998 166 1 . 1 1 31 31 TRP C C 31 174.754 174.754 174.369 0.385 19998 167 1 . 1 1 31 31 TRP CA C 31 55.756 55.756 54.246 1.510 19998 168 1 . 1 1 31 31 TRP CB C 31 30.976 30.976 29.808 1.167 19998 169 1 . 1 1 31 31 TRP H H 31 8.483 8.483 7.732 0.750 19998 170 1 . 1 1 32 32 CYS N N 32 118.984 118.984 123.005 -4.021 19998 171 1 . 1 1 32 32 CYS HA H 32 4.747 4.747 4.341 0.406 19998 172 1 . 1 1 32 32 CYS C C 32 171.472 171.472 174.728 -3.256 19998 173 1 . 1 1 32 32 CYS CA C 32 54.733 54.733 59.168 -4.435 19998 174 1 . 1 1 32 32 CYS CB C 32 39.524 39.524 24.576 14.948 19998 175 1 . 1 1 32 32 CYS H H 32 8.474 8.474 8.408 0.066 19998 176 1 . 1 1 33 33 LYS N N 33 124.672 124.672 123.860 0.812 19998 177 1 . 1 1 33 33 LYS HA H 33 4.717 4.717 4.107 0.611 19998 178 1 . 1 1 33 33 LYS C C 33 172.236 172.236 175.463 -3.227 19998 179 1 . 1 1 33 33 LYS CA C 33 54.730 54.730 54.111 0.619 19998 180 1 . 1 1 33 33 LYS CB C 33 35.429 35.429 33.905 1.524 19998 181 1 . 1 1 33 33 LYS H H 33 9.027 9.027 8.327 0.700 19998 182 1 . 1 1 34 34 TYR N N 34 120.102 120.102 122.824 -2.722 19998 183 1 . 1 1 34 34 TYR HA H 34 4.878 4.878 4.584 0.294 19998 184 1 . 1 1 34 34 TYR C C 34 174.034 174.034 176.806 -2.772 19998 185 1 . 1 1 34 34 TYR CA C 34 59.262 59.262 58.809 0.453 19998 186 1 . 1 1 34 34 TYR CB C 34 38.633 38.633 37.996 0.637 19998 187 1 . 1 1 34 34 TYR H H 34 8.092 8.092 8.716 -0.624 19998 188 1 . 1 1 35 35 GLU N N 35 124.362 124.362 125.993 -1.631 19998 189 1 . 1 1 35 35 GLU HA H 35 4.462 4.462 4.439 0.023 19998 190 1 . 1 1 35 35 GLU C C 35 172.127 172.127 175.294 -3.167 19998 191 1 . 1 1 35 35 GLU CA C 35 56.267 56.267 56.293 -0.026 19998 192 1 . 1 1 35 35 GLU CB C 35 30.852 30.852 30.026 0.826 19998 193 1 . 1 1 35 35 GLU H H 35 8.754 8.754 8.586 0.168 19998 stop_ save_