data_19693 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19693 _Entry.PDB_ID 2MIT 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 19693 _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 THR N N 2 115.586 115.586 120.004 -4.418 19693 2 1 1 . 1 1 2 2 THR HA H 2 4.571 4.571 4.716 -0.145 19693 3 1 1 . 1 1 2 2 THR C C 2 170.749 170.749 173.546 -2.797 19693 4 1 1 . 1 1 2 2 THR CA C 2 59.977 59.977 61.798 -1.821 19693 5 1 1 . 1 1 2 2 THR CB C 2 68.060 68.060 68.996 -0.936 19693 6 1 1 . 1 1 2 2 THR H H 2 8.365 8.365 8.360 0.005 19693 7 1 1 . 1 1 3 3 CYS N N 3 122.021 122.021 125.986 -3.965 19693 8 1 1 . 1 1 3 3 CYS HA H 3 5.529 5.529 5.440 0.089 19693 9 1 1 . 1 1 3 3 CYS C C 3 168.490 168.490 173.968 -5.478 19693 10 1 1 . 1 1 3 3 CYS CA C 3 52.424 52.424 57.079 -4.655 19693 11 1 1 . 1 1 3 3 CYS CB C 3 47.514 47.514 31.205 16.309 19693 12 1 1 . 1 1 3 3 CYS H H 3 8.279 8.279 8.973 -0.694 19693 13 1 1 . 1 1 4 4 TYR N N 4 117.786 117.786 117.898 -0.112 19693 14 1 1 . 1 1 4 4 TYR HA H 4 4.736 4.736 4.828 -0.092 19693 15 1 1 . 1 1 4 4 TYR C C 4 172.133 172.133 173.268 -1.135 19693 16 1 1 . 1 1 4 4 TYR CA C 4 53.772 53.772 56.502 -2.730 19693 17 1 1 . 1 1 4 4 TYR CB C 4 39.602 39.602 39.026 0.577 19693 18 1 1 . 1 1 4 4 TYR H H 4 8.632 8.632 8.339 0.293 19693 19 1 1 . 1 1 5 5 CYS N N 5 118.451 118.451 122.105 -3.654 19693 20 1 1 . 1 1 5 5 CYS HA H 5 5.397 5.397 5.395 0.002 19693 21 1 1 . 1 1 5 5 CYS C C 5 171.739 171.739 175.131 -3.392 19693 22 1 1 . 1 1 5 5 CYS CA C 5 53.833 53.833 58.099 -4.266 19693 23 1 1 . 1 1 5 5 CYS CB C 5 41.545 41.545 26.718 14.827 19693 24 1 1 . 1 1 5 5 CYS H H 5 8.902 8.902 8.541 0.361 19693 25 1 1 . 1 1 6 6 ARG N N 6 123.236 123.236 125.111 -1.875 19693 26 1 1 . 1 1 6 6 ARG HA H 6 5.018 5.018 5.024 -0.006 19693 27 1 1 . 1 1 6 6 ARG C C 6 172.945 172.945 177.005 -4.060 19693 28 1 1 . 1 1 6 6 ARG CA C 6 51.799 51.799 54.838 -3.039 19693 29 1 1 . 1 1 6 6 ARG CB C 6 30.528 30.528 32.043 -1.515 19693 30 1 1 . 1 1 6 6 ARG H H 6 9.615 9.615 9.143 0.472 19693 31 1 1 . 1 1 7 7 THR N N 7 113.052 113.052 111.794 1.258 19693 32 1 1 . 1 1 7 7 THR HA H 7 4.349 4.349 4.461 -0.112 19693 33 1 1 . 1 1 7 7 THR C C 7 173.351 173.351 174.706 -1.355 19693 34 1 1 . 1 1 7 7 THR CA C 7 59.780 59.780 62.402 -2.622 19693 35 1 1 . 1 1 7 7 THR CB C 7 66.445 66.445 69.388 -2.943 19693 36 1 1 . 1 1 7 7 THR H H 7 8.713 8.713 8.606 0.107 19693 37 1 1 . 1 1 8 8 GLY N N 8 111.886 111.886 108.543 3.343 19693 38 1 1 . 1 1 8 8 GLY C C 8 169.531 169.531 172.672 -3.141 19693 39 1 1 . 1 1 8 8 GLY CA C 8 41.730 41.730 44.255 -2.525 19693 40 1 1 . 1 1 8 8 GLY H H 8 7.884 7.884 7.860 0.024 19693 41 1 1 . 1 1 9 9 ARG N N 9 117.348 117.348 119.340 -1.992 19693 42 1 1 . 1 1 9 9 ARG HA H 9 4.137 4.137 4.598 -0.461 19693 43 1 1 . 1 1 9 9 ARG C C 9 174.633 174.633 174.623 0.010 19693 44 1 1 . 1 1 9 9 ARG CA C 9 53.246 53.246 55.603 -2.357 19693 45 1 1 . 1 1 9 9 ARG CB C 9 28.531 28.531 31.929 -3.398 19693 46 1 1 . 1 1 9 9 ARG H H 9 8.031 8.031 8.172 -0.141 19693 47 1 1 . 1 1 10 10 CYS N N 10 117.348 117.348 114.907 2.441 19693 48 1 1 . 1 1 10 10 CYS HA H 10 4.714 4.714 5.089 -0.375 19693 49 1 1 . 1 1 10 10 CYS C C 10 172.334 172.334 175.287 -2.953 19693 50 1 1 . 1 1 10 10 CYS CA C 10 50.246 50.246 56.106 -5.860 19693 51 1 1 . 1 1 10 10 CYS CB C 10 33.460 33.460 31.062 2.398 19693 52 1 1 . 1 1 10 10 CYS H H 10 8.583 8.583 8.256 0.327 19693 53 1 1 . 1 1 11 11 ALA HA H 11 4.296 4.296 4.122 0.174 19693 54 1 1 . 1 1 11 11 ALA CA C 11 49.629 49.629 54.449 -4.820 19693 55 1 1 . 1 1 11 11 ALA CB C 11 16.647 16.647 19.166 -2.519 19693 56 1 1 . 1 1 12 12 THR CB C 12 67.089 67.089 68.579 -1.490 19693 57 1 1 . 1 1 13 13 ARG HA H 13 4.073 4.073 4.280 -0.207 19693 58 1 1 . 1 1 13 13 ARG CA C 13 55.450 55.450 55.970 -0.520 19693 59 1 1 . 1 1 13 13 ARG CB C 13 25.699 25.699 30.141 -4.442 19693 60 1 1 . 1 1 15 15 SER HA H 15 4.692 4.692 4.544 0.148 19693 61 1 1 . 1 1 15 15 SER CB C 15 62.241 62.241 62.908 -0.667 19693 62 1 1 . 1 1 16 16 LEU HA H 16 4.760 4.760 5.356 -0.596 19693 63 1 1 . 1 1 16 16 LEU C C 16 175.052 175.052 176.162 -1.110 19693 64 1 1 . 1 1 16 16 LEU CA C 16 54.175 54.175 54.092 0.083 19693 65 1 1 . 1 1 16 16 LEU CB C 16 38.191 38.191 44.037 -5.846 19693 66 1 1 . 1 1 17 17 SER N N 17 124.162 124.162 120.632 3.530 19693 67 1 1 . 1 1 17 17 SER HA H 17 5.001 5.001 4.751 0.250 19693 68 1 1 . 1 1 17 17 SER C C 17 169.036 169.036 174.914 -5.878 19693 69 1 1 . 1 1 17 17 SER CA C 17 55.531 55.531 58.107 -2.576 19693 70 1 1 . 1 1 17 17 SER CB C 17 63.316 63.316 64.393 -1.077 19693 71 1 1 . 1 1 17 17 SER H H 17 9.441 9.441 9.227 0.214 19693 72 1 1 . 1 1 18 18 GLY N N 18 108.239 108.239 109.334 -1.095 19693 73 1 1 . 1 1 18 18 GLY C C 18 168.084 168.084 171.656 -3.572 19693 74 1 1 . 1 1 18 18 GLY CA C 18 41.868 41.868 45.580 -3.712 19693 75 1 1 . 1 1 18 18 GLY H H 18 7.359 7.359 7.452 -0.093 19693 76 1 1 . 1 1 19 19 VAL N N 19 112.833 112.833 114.842 -2.009 19693 77 1 1 . 1 1 19 19 VAL HA H 19 5.134 5.134 5.421 -0.287 19693 78 1 1 . 1 1 19 19 VAL C C 19 172.336 172.336 174.884 -2.548 19693 79 1 1 . 1 1 19 19 VAL CA C 19 57.390 57.390 59.044 -1.653 19693 80 1 1 . 1 1 19 19 VAL CB C 19 33.578 33.578 35.450 -1.872 19693 81 1 1 . 1 1 19 19 VAL H H 19 8.303 8.303 8.315 -0.012 19693 82 1 1 . 1 1 20 20 CYS N N 20 120.436 120.436 120.265 0.171 19693 83 1 1 . 1 1 20 20 CYS HA H 20 4.884 4.884 4.913 -0.029 19693 84 1 1 . 1 1 20 20 CYS C C 20 169.569 169.569 173.599 -4.030 19693 85 1 1 . 1 1 20 20 CYS CA C 20 51.297 51.297 57.549 -6.252 19693 86 1 1 . 1 1 20 20 CYS CB C 20 42.803 42.803 29.717 13.086 19693 87 1 1 . 1 1 20 20 CYS H H 20 9.245 9.245 9.356 -0.111 19693 88 1 1 . 1 1 21 21 GLU N N 21 128.078 128.078 125.613 2.465 19693 89 1 1 . 1 1 21 21 GLU HA H 21 5.183 5.183 4.875 0.308 19693 90 1 1 . 1 1 21 21 GLU C C 21 172.311 172.311 175.757 -3.446 19693 91 1 1 . 1 1 21 21 GLU CA C 21 52.216 52.216 56.205 -3.989 19693 92 1 1 . 1 1 21 21 GLU CB C 21 25.376 25.376 30.374 -4.998 19693 93 1 1 . 1 1 21 21 GLU H H 21 8.981 8.981 8.708 0.273 19693 94 1 1 . 1 1 22 22 ILE N N 22 127.676 127.676 128.485 -0.809 19693 95 1 1 . 1 1 22 22 ILE HA H 22 4.245 4.245 4.503 -0.258 19693 96 1 1 . 1 1 22 22 ILE C C 22 173.339 173.339 175.994 -2.655 19693 97 1 1 . 1 1 22 22 ILE CA C 22 58.037 58.037 60.681 -2.644 19693 98 1 1 . 1 1 22 22 ILE CB C 22 38.309 38.309 40.053 -1.744 19693 99 1 1 . 1 1 22 22 ILE H H 22 8.884 8.884 9.175 -0.291 19693 100 1 1 . 1 1 23 23 SER N N 23 123.963 123.963 123.227 0.736 19693 101 1 1 . 1 1 23 23 SER HA H 23 4.016 4.016 4.128 -0.112 19693 102 1 1 . 1 1 23 23 SER C C 23 172.285 172.285 175.052 -2.767 19693 103 1 1 . 1 1 23 23 SER CA C 23 56.097 56.097 59.473 -3.376 19693 104 1 1 . 1 1 23 23 SER CB C 23 59.837 59.837 62.037 -2.200 19693 105 1 1 . 1 1 23 23 SER H H 23 9.442 9.442 9.373 0.069 19693 106 1 1 . 1 1 24 24 GLY N N 24 104.009 104.009 107.223 -3.214 19693 107 1 1 . 1 1 24 24 GLY C C 24 170.889 170.889 173.488 -2.599 19693 108 1 1 . 1 1 24 24 GLY CA C 24 42.608 42.608 44.718 -2.110 19693 109 1 1 . 1 1 24 24 GLY H H 24 8.570 8.570 8.156 0.414 19693 110 1 1 . 1 1 25 25 ARG N N 25 120.867 120.867 121.985 -1.118 19693 111 1 1 . 1 1 25 25 ARG HA H 25 4.513 4.513 4.470 0.043 19693 112 1 1 . 1 1 25 25 ARG C C 25 170.369 170.369 174.558 -4.189 19693 113 1 1 . 1 1 25 25 ARG CA C 25 51.617 51.617 55.410 -3.792 19693 114 1 1 . 1 1 25 25 ARG CB C 25 30.201 30.201 31.356 -1.155 19693 115 1 1 . 1 1 25 25 ARG H H 25 7.822 7.822 7.861 -0.039 19693 116 1 1 . 1 1 26 26 LEU N N 26 123.477 123.477 127.056 -3.579 19693 117 1 1 . 1 1 26 26 LEU HA H 26 4.565 4.565 4.391 0.174 19693 118 1 1 . 1 1 26 26 LEU C C 26 173.212 173.212 174.968 -1.756 19693 119 1 1 . 1 1 26 26 LEU CA C 26 51.739 51.739 53.622 -1.883 19693 120 1 1 . 1 1 26 26 LEU CB C 26 40.261 40.261 42.592 -2.331 19693 121 1 1 . 1 1 26 26 LEU H H 26 8.091 8.091 8.524 -0.433 19693 122 1 1 . 1 1 27 27 TYR N N 27 124.804 124.804 126.780 -1.976 19693 123 1 1 . 1 1 27 27 TYR HA H 27 4.460 4.460 5.246 -0.786 19693 124 1 1 . 1 1 27 27 TYR C C 27 172.476 172.476 175.547 -3.071 19693 125 1 1 . 1 1 27 27 TYR CA C 27 54.890 54.890 57.086 -2.196 19693 126 1 1 . 1 1 27 27 TYR CB C 27 37.029 37.029 39.236 -2.207 19693 127 1 1 . 1 1 27 27 TYR H H 27 9.031 9.031 9.080 -0.049 19693 128 1 1 . 1 1 28 28 ARG N N 28 123.114 123.114 122.835 0.279 19693 129 1 1 . 1 1 28 28 ARG HA H 28 4.383 4.383 5.067 -0.684 19693 130 1 1 . 1 1 28 28 ARG C C 28 171.981 171.981 175.076 -3.095 19693 131 1 1 . 1 1 28 28 ARG CA C 28 53.833 53.833 54.873 -1.040 19693 132 1 1 . 1 1 28 28 ARG CB C 28 28.603 28.603 33.277 -4.674 19693 133 1 1 . 1 1 28 28 ARG H H 28 9.196 9.196 9.340 -0.144 19693 134 1 1 . 1 1 29 29 LEU N N 29 120.619 120.619 121.798 -1.179 19693 135 1 1 . 1 1 29 29 LEU HA H 29 4.982 4.982 5.349 -0.367 19693 136 1 1 . 1 1 29 29 LEU C C 29 172.425 172.425 175.758 -3.333 19693 137 1 1 . 1 1 29 29 LEU CA C 29 50.185 50.185 53.170 -2.985 19693 138 1 1 . 1 1 29 29 LEU CB C 29 37.792 37.792 43.926 -6.134 19693 139 1 1 . 1 1 29 29 LEU H H 29 8.329 8.329 8.847 -0.518 19693 140 1 1 . 1 1 30 30 CYS N N 30 125.083 125.083 118.473 6.610 19693 141 1 1 . 1 1 30 30 CYS HA H 30 5.287 5.287 4.979 0.308 19693 142 1 1 . 1 1 30 30 CYS C C 30 172.146 172.146 172.607 -0.461 19693 143 1 1 . 1 1 30 30 CYS CA C 30 50.276 50.276 56.112 -5.836 19693 144 1 1 . 1 1 30 30 CYS CB C 30 39.605 39.605 28.844 10.761 19693 145 1 1 . 1 1 30 30 CYS H H 30 8.786 8.786 8.184 0.602 19693 146 1 1 . 1 1 31 31 CYS N N 31 120.846 120.846 122.470 -1.624 19693 147 1 1 . 1 1 31 31 CYS HA H 31 5.666 5.666 5.259 0.407 19693 148 1 1 . 1 1 31 31 CYS C C 31 171.511 171.511 173.286 -1.775 19693 149 1 1 . 1 1 31 31 CYS CA C 31 53.018 53.018 57.893 -4.875 19693 150 1 1 . 1 1 31 31 CYS CB C 31 46.072 46.072 30.868 15.204 19693 151 1 1 . 1 1 31 31 CYS H H 31 8.954 8.954 8.426 0.528 19693 152 1 2 . 1 1 2 2 THR N N 2 115.586 115.586 119.354 -3.768 19693 153 1 2 . 1 1 2 2 THR HA H 2 4.571 4.571 4.764 -0.193 19693 154 1 2 . 1 1 2 2 THR C C 2 170.749 170.749 173.472 -2.723 19693 155 1 2 . 1 1 2 2 THR CA C 2 59.977 59.977 62.216 -2.239 19693 156 1 2 . 1 1 2 2 THR CB C 2 68.060 68.060 68.974 -0.914 19693 157 1 2 . 1 1 2 2 THR H H 2 8.365 8.365 8.727 -0.362 19693 158 1 2 . 1 1 3 3 CYS N N 3 122.021 122.021 125.419 -3.398 19693 159 1 2 . 1 1 3 3 CYS HA H 3 5.529 5.529 5.064 0.465 19693 160 1 2 . 1 1 3 3 CYS C C 3 168.490 168.490 173.614 -5.124 19693 161 1 2 . 1 1 3 3 CYS CA C 3 52.424 52.424 57.740 -5.316 19693 162 1 2 . 1 1 3 3 CYS CB C 3 47.514 47.514 31.787 15.727 19693 163 1 2 . 1 1 3 3 CYS H H 3 8.279 8.279 8.978 -0.699 19693 164 1 2 . 1 1 4 4 TYR N N 4 117.786 117.786 117.209 0.577 19693 165 1 2 . 1 1 4 4 TYR HA H 4 4.736 4.736 4.863 -0.127 19693 166 1 2 . 1 1 4 4 TYR C C 4 172.133 172.133 173.382 -1.249 19693 167 1 2 . 1 1 4 4 TYR CA C 4 53.772 53.772 56.556 -2.784 19693 168 1 2 . 1 1 4 4 TYR CB C 4 39.602 39.602 38.956 0.645 19693 169 1 2 . 1 1 4 4 TYR H H 4 8.632 8.632 8.232 0.400 19693 170 1 2 . 1 1 5 5 CYS N N 5 118.451 118.451 121.871 -3.420 19693 171 1 2 . 1 1 5 5 CYS HA H 5 5.397 5.397 5.419 -0.022 19693 172 1 2 . 1 1 5 5 CYS C C 5 171.739 171.739 174.760 -3.021 19693 173 1 2 . 1 1 5 5 CYS CA C 5 53.833 53.833 58.275 -4.442 19693 174 1 2 . 1 1 5 5 CYS CB C 5 41.545 41.545 27.338 14.207 19693 175 1 2 . 1 1 5 5 CYS H H 5 8.902 8.902 8.564 0.338 19693 176 1 2 . 1 1 6 6 ARG N N 6 123.236 123.236 123.604 -0.368 19693 177 1 2 . 1 1 6 6 ARG HA H 6 5.018 5.018 4.866 0.152 19693 178 1 2 . 1 1 6 6 ARG C C 6 172.945 172.945 176.312 -3.367 19693 179 1 2 . 1 1 6 6 ARG CA C 6 51.799 51.799 54.335 -2.536 19693 180 1 2 . 1 1 6 6 ARG CB C 6 30.528 30.528 31.936 -1.407 19693 181 1 2 . 1 1 6 6 ARG H H 6 9.615 9.615 9.299 0.316 19693 182 1 2 . 1 1 7 7 THR N N 7 113.052 113.052 113.684 -0.632 19693 183 1 2 . 1 1 7 7 THR HA H 7 4.349 4.349 4.470 -0.121 19693 184 1 2 . 1 1 7 7 THR C C 7 173.351 173.351 174.429 -1.078 19693 185 1 2 . 1 1 7 7 THR CA C 7 59.780 59.780 61.567 -1.787 19693 186 1 2 . 1 1 7 7 THR CB C 7 66.445 66.445 68.772 -2.327 19693 187 1 2 . 1 1 7 7 THR H H 7 8.713 8.713 8.602 0.111 19693 188 1 2 . 1 1 8 8 GLY N N 8 111.886 111.886 108.586 3.300 19693 189 1 2 . 1 1 8 8 GLY C C 8 169.531 169.531 172.537 -3.006 19693 190 1 2 . 1 1 8 8 GLY CA C 8 41.730 41.730 44.792 -3.062 19693 191 1 2 . 1 1 8 8 GLY H H 8 7.884 7.884 7.814 0.070 19693 192 1 2 . 1 1 9 9 ARG N N 9 117.348 117.348 119.152 -1.804 19693 193 1 2 . 1 1 9 9 ARG HA H 9 4.137 4.137 4.562 -0.425 19693 194 1 2 . 1 1 9 9 ARG C C 9 174.633 174.633 174.069 0.564 19693 195 1 2 . 1 1 9 9 ARG CA C 9 53.246 53.246 55.716 -2.470 19693 196 1 2 . 1 1 9 9 ARG CB C 9 28.531 28.531 31.949 -3.418 19693 197 1 2 . 1 1 9 9 ARG H H 9 8.031 8.031 8.070 -0.039 19693 198 1 2 . 1 1 10 10 CYS N N 10 117.348 117.348 112.710 4.638 19693 199 1 2 . 1 1 10 10 CYS HA H 10 4.714 4.714 4.877 -0.163 19693 200 1 2 . 1 1 10 10 CYS C C 10 172.334 172.334 174.342 -2.008 19693 201 1 2 . 1 1 10 10 CYS CA C 10 50.246 50.246 56.790 -6.544 19693 202 1 2 . 1 1 10 10 CYS CB C 10 33.460 33.460 30.620 2.840 19693 203 1 2 . 1 1 10 10 CYS H H 10 8.583 8.583 8.169 0.414 19693 204 1 2 . 1 1 11 11 ALA HA H 11 4.296 4.296 4.325 -0.029 19693 205 1 2 . 1 1 11 11 ALA CA C 11 49.629 49.629 53.426 -3.797 19693 206 1 2 . 1 1 11 11 ALA CB C 11 16.647 16.647 17.308 -0.661 19693 207 1 2 . 1 1 12 12 THR CB C 12 67.089 67.089 69.336 -2.247 19693 208 1 2 . 1 1 13 13 ARG HA H 13 4.073 4.073 3.987 0.086 19693 209 1 2 . 1 1 13 13 ARG CA C 13 55.450 55.450 57.242 -1.792 19693 210 1 2 . 1 1 13 13 ARG CB C 13 25.699 25.699 29.354 -3.655 19693 211 1 2 . 1 1 15 15 SER HA H 15 4.692 4.692 4.094 0.598 19693 212 1 2 . 1 1 15 15 SER CB C 15 62.241 62.241 62.113 0.128 19693 213 1 2 . 1 1 16 16 LEU HA H 16 4.760 4.760 4.787 -0.027 19693 214 1 2 . 1 1 16 16 LEU C C 16 175.052 175.052 177.586 -2.534 19693 215 1 2 . 1 1 16 16 LEU CA C 16 54.175 54.175 54.345 -0.170 19693 216 1 2 . 1 1 16 16 LEU CB C 16 38.191 38.191 42.822 -4.631 19693 217 1 2 . 1 1 17 17 SER N N 17 124.162 124.162 121.901 2.261 19693 218 1 2 . 1 1 17 17 SER HA H 17 5.001 5.001 4.576 0.425 19693 219 1 2 . 1 1 17 17 SER C C 17 169.036 169.036 174.681 -5.645 19693 220 1 2 . 1 1 17 17 SER CA C 17 55.531 55.531 58.011 -2.480 19693 221 1 2 . 1 1 17 17 SER CB C 17 63.316 63.316 64.179 -0.863 19693 222 1 2 . 1 1 17 17 SER H H 17 9.441 9.441 9.066 0.375 19693 223 1 2 . 1 1 18 18 GLY N N 18 108.239 108.239 108.832 -0.593 19693 224 1 2 . 1 1 18 18 GLY C C 18 168.084 168.084 171.654 -3.570 19693 225 1 2 . 1 1 18 18 GLY CA C 18 41.868 41.868 45.303 -3.435 19693 226 1 2 . 1 1 18 18 GLY H H 18 7.359 7.359 7.415 -0.056 19693 227 1 2 . 1 1 19 19 VAL N N 19 112.833 112.833 114.862 -2.029 19693 228 1 2 . 1 1 19 19 VAL HA H 19 5.134 5.134 5.396 -0.262 19693 229 1 2 . 1 1 19 19 VAL C C 19 172.336 172.336 174.854 -2.518 19693 230 1 2 . 1 1 19 19 VAL CA C 19 57.390 57.390 58.728 -1.338 19693 231 1 2 . 1 1 19 19 VAL CB C 19 33.578 33.578 35.806 -2.228 19693 232 1 2 . 1 1 19 19 VAL H H 19 8.303 8.303 8.313 -0.010 19693 233 1 2 . 1 1 20 20 CYS N N 20 120.436 120.436 118.871 1.565 19693 234 1 2 . 1 1 20 20 CYS HA H 20 4.884 4.884 4.815 0.069 19693 235 1 2 . 1 1 20 20 CYS C C 20 169.569 169.569 173.177 -3.608 19693 236 1 2 . 1 1 20 20 CYS CA C 20 51.297 51.297 57.718 -6.421 19693 237 1 2 . 1 1 20 20 CYS CB C 20 42.803 42.803 30.162 12.641 19693 238 1 2 . 1 1 20 20 CYS H H 20 9.245 9.245 9.311 -0.066 19693 239 1 2 . 1 1 21 21 GLU N N 21 128.078 128.078 125.187 2.891 19693 240 1 2 . 1 1 21 21 GLU HA H 21 5.183 5.183 5.121 0.062 19693 241 1 2 . 1 1 21 21 GLU C C 21 172.311 172.311 175.762 -3.451 19693 242 1 2 . 1 1 21 21 GLU CA C 21 52.216 52.216 56.051 -3.835 19693 243 1 2 . 1 1 21 21 GLU CB C 21 25.376 25.376 30.591 -5.215 19693 244 1 2 . 1 1 21 21 GLU H H 21 8.981 8.981 8.638 0.343 19693 245 1 2 . 1 1 22 22 ILE N N 22 127.676 127.676 127.983 -0.307 19693 246 1 2 . 1 1 22 22 ILE HA H 22 4.245 4.245 4.398 -0.153 19693 247 1 2 . 1 1 22 22 ILE C C 22 173.339 173.339 175.818 -2.479 19693 248 1 2 . 1 1 22 22 ILE CA C 22 58.037 58.037 60.581 -2.545 19693 249 1 2 . 1 1 22 22 ILE CB C 22 38.309 38.309 40.378 -2.069 19693 250 1 2 . 1 1 22 22 ILE H H 22 8.884 8.884 9.287 -0.403 19693 251 1 2 . 1 1 23 23 SER N N 23 123.963 123.963 121.434 2.529 19693 252 1 2 . 1 1 23 23 SER HA H 23 4.016 4.016 4.093 -0.077 19693 253 1 2 . 1 1 23 23 SER C C 23 172.285 172.285 175.549 -3.264 19693 254 1 2 . 1 1 23 23 SER CA C 23 56.097 56.097 59.442 -3.345 19693 255 1 2 . 1 1 23 23 SER CB C 23 59.837 59.837 61.327 -1.490 19693 256 1 2 . 1 1 23 23 SER H H 23 9.442 9.442 9.256 0.186 19693 257 1 2 . 1 1 24 24 GLY N N 24 104.009 104.009 108.934 -4.925 19693 258 1 2 . 1 1 24 24 GLY C C 24 170.889 170.889 173.115 -2.226 19693 259 1 2 . 1 1 24 24 GLY CA C 24 42.608 42.608 44.916 -2.308 19693 260 1 2 . 1 1 24 24 GLY H H 24 8.570 8.570 9.159 -0.589 19693 261 1 2 . 1 1 25 25 ARG N N 25 120.867 120.867 120.686 0.181 19693 262 1 2 . 1 1 25 25 ARG HA H 25 4.513 4.513 4.736 -0.223 19693 263 1 2 . 1 1 25 25 ARG C C 25 170.369 170.369 174.503 -4.134 19693 264 1 2 . 1 1 25 25 ARG CA C 25 51.617 51.617 54.873 -3.256 19693 265 1 2 . 1 1 25 25 ARG CB C 25 30.201 30.201 32.609 -2.409 19693 266 1 2 . 1 1 25 25 ARG H H 25 7.822 7.822 8.114 -0.292 19693 267 1 2 . 1 1 26 26 LEU N N 26 123.477 123.477 126.185 -2.708 19693 268 1 2 . 1 1 26 26 LEU HA H 26 4.565 4.565 4.569 -0.004 19693 269 1 2 . 1 1 26 26 LEU C C 26 173.212 173.212 175.394 -2.182 19693 270 1 2 . 1 1 26 26 LEU CA C 26 51.739 51.739 53.872 -2.133 19693 271 1 2 . 1 1 26 26 LEU CB C 26 40.261 40.261 42.909 -2.648 19693 272 1 2 . 1 1 26 26 LEU H H 26 8.091 8.091 8.657 -0.566 19693 273 1 2 . 1 1 27 27 TYR N N 27 124.804 124.804 126.146 -1.342 19693 274 1 2 . 1 1 27 27 TYR HA H 27 4.460 4.460 4.993 -0.533 19693 275 1 2 . 1 1 27 27 TYR C C 27 172.476 172.476 175.207 -2.731 19693 276 1 2 . 1 1 27 27 TYR CA C 27 54.890 54.890 56.948 -2.058 19693 277 1 2 . 1 1 27 27 TYR CB C 27 37.029 37.029 39.387 -2.358 19693 278 1 2 . 1 1 27 27 TYR H H 27 9.031 9.031 9.343 -0.312 19693 279 1 2 . 1 1 28 28 ARG N N 28 123.114 123.114 122.075 1.039 19693 280 1 2 . 1 1 28 28 ARG HA H 28 4.383 4.383 5.155 -0.772 19693 281 1 2 . 1 1 28 28 ARG C C 28 171.981 171.981 174.968 -2.987 19693 282 1 2 . 1 1 28 28 ARG CA C 28 53.833 53.833 54.567 -0.734 19693 283 1 2 . 1 1 28 28 ARG CB C 28 28.603 28.603 33.886 -5.284 19693 284 1 2 . 1 1 28 28 ARG H H 28 9.196 9.196 9.352 -0.156 19693 285 1 2 . 1 1 29 29 LEU N N 29 120.619 120.619 120.721 -0.102 19693 286 1 2 . 1 1 29 29 LEU HA H 29 4.982 4.982 5.389 -0.407 19693 287 1 2 . 1 1 29 29 LEU C C 29 172.425 172.425 175.986 -3.561 19693 288 1 2 . 1 1 29 29 LEU CA C 29 50.185 50.185 52.986 -2.801 19693 289 1 2 . 1 1 29 29 LEU CB C 29 37.792 37.792 44.837 -7.045 19693 290 1 2 . 1 1 29 29 LEU H H 29 8.329 8.329 8.967 -0.638 19693 291 1 2 . 1 1 30 30 CYS N N 30 125.083 125.083 118.021 7.062 19693 292 1 2 . 1 1 30 30 CYS HA H 30 5.287 5.287 5.324 -0.037 19693 293 1 2 . 1 1 30 30 CYS C C 30 172.146 172.146 174.280 -2.134 19693 294 1 2 . 1 1 30 30 CYS CA C 30 50.276 50.276 56.510 -6.234 19693 295 1 2 . 1 1 30 30 CYS CB C 30 39.605 39.605 28.545 11.060 19693 296 1 2 . 1 1 30 30 CYS H H 30 8.786 8.786 7.991 0.795 19693 297 1 2 . 1 1 31 31 CYS N N 31 120.846 120.846 122.557 -1.711 19693 298 1 2 . 1 1 31 31 CYS HA H 31 5.666 5.666 4.919 0.747 19693 299 1 2 . 1 1 31 31 CYS C C 31 171.511 171.511 174.919 -3.408 19693 300 1 2 . 1 1 31 31 CYS CA C 31 53.018 53.018 58.592 -5.574 19693 301 1 2 . 1 1 31 31 CYS CB C 31 46.072 46.072 29.517 16.555 19693 302 1 2 . 1 1 31 31 CYS H H 31 8.954 8.954 8.679 0.275 19693 303 1 3 . 1 1 2 2 THR N N 2 115.586 115.586 120.962 -5.376 19693 304 1 3 . 1 1 2 2 THR HA H 2 4.571 4.571 4.712 -0.141 19693 305 1 3 . 1 1 2 2 THR C C 2 170.749 170.749 173.588 -2.839 19693 306 1 3 . 1 1 2 2 THR CA C 2 59.977 59.977 61.715 -1.738 19693 307 1 3 . 1 1 2 2 THR CB C 2 68.060 68.060 69.017 -0.957 19693 308 1 3 . 1 1 2 2 THR H H 2 8.365 8.365 8.601 -0.236 19693 309 1 3 . 1 1 3 3 CYS N N 3 122.021 122.021 126.096 -4.075 19693 310 1 3 . 1 1 3 3 CYS HA H 3 5.529 5.529 5.265 0.264 19693 311 1 3 . 1 1 3 3 CYS C C 3 168.490 168.490 173.993 -5.503 19693 312 1 3 . 1 1 3 3 CYS CA C 3 52.424 52.424 57.155 -4.731 19693 313 1 3 . 1 1 3 3 CYS CB C 3 47.514 47.514 30.995 16.519 19693 314 1 3 . 1 1 3 3 CYS H H 3 8.279 8.279 8.989 -0.710 19693 315 1 3 . 1 1 4 4 TYR N N 4 117.786 117.786 117.968 -0.182 19693 316 1 3 . 1 1 4 4 TYR HA H 4 4.736 4.736 4.840 -0.104 19693 317 1 3 . 1 1 4 4 TYR C C 4 172.133 172.133 173.317 -1.184 19693 318 1 3 . 1 1 4 4 TYR CA C 4 53.772 53.772 56.356 -2.584 19693 319 1 3 . 1 1 4 4 TYR CB C 4 39.602 39.602 39.009 0.593 19693 320 1 3 . 1 1 4 4 TYR H H 4 8.632 8.632 8.297 0.335 19693 321 1 3 . 1 1 5 5 CYS N N 5 118.451 118.451 122.083 -3.632 19693 322 1 3 . 1 1 5 5 CYS HA H 5 5.397 5.397 5.441 -0.044 19693 323 1 3 . 1 1 5 5 CYS C C 5 171.739 171.739 175.029 -3.290 19693 324 1 3 . 1 1 5 5 CYS CA C 5 53.833 53.833 58.091 -4.258 19693 325 1 3 . 1 1 5 5 CYS CB C 5 41.545 41.545 26.706 14.839 19693 326 1 3 . 1 1 5 5 CYS H H 5 8.902 8.902 8.554 0.348 19693 327 1 3 . 1 1 6 6 ARG N N 6 123.236 123.236 125.708 -2.472 19693 328 1 3 . 1 1 6 6 ARG HA H 6 5.018 5.018 4.906 0.112 19693 329 1 3 . 1 1 6 6 ARG C C 6 172.945 172.945 176.657 -3.712 19693 330 1 3 . 1 1 6 6 ARG CA C 6 51.799 51.799 54.983 -3.184 19693 331 1 3 . 1 1 6 6 ARG CB C 6 30.528 30.528 32.080 -1.552 19693 332 1 3 . 1 1 6 6 ARG H H 6 9.615 9.615 9.222 0.393 19693 333 1 3 . 1 1 7 7 THR N N 7 113.052 113.052 112.727 0.325 19693 334 1 3 . 1 1 7 7 THR HA H 7 4.349 4.349 4.501 -0.152 19693 335 1 3 . 1 1 7 7 THR C C 7 173.351 173.351 174.824 -1.473 19693 336 1 3 . 1 1 7 7 THR CA C 7 59.780 59.780 62.891 -3.111 19693 337 1 3 . 1 1 7 7 THR CB C 7 66.445 66.445 69.346 -2.901 19693 338 1 3 . 1 1 7 7 THR H H 7 8.713 8.713 8.666 0.047 19693 339 1 3 . 1 1 8 8 GLY N N 8 111.886 111.886 108.464 3.422 19693 340 1 3 . 1 1 8 8 GLY C C 8 169.531 169.531 172.709 -3.178 19693 341 1 3 . 1 1 8 8 GLY CA C 8 41.730 41.730 44.166 -2.436 19693 342 1 3 . 1 1 8 8 GLY H H 8 7.884 7.884 7.864 0.020 19693 343 1 3 . 1 1 9 9 ARG N N 9 117.348 117.348 118.391 -1.043 19693 344 1 3 . 1 1 9 9 ARG HA H 9 4.137 4.137 4.606 -0.469 19693 345 1 3 . 1 1 9 9 ARG C C 9 174.633 174.633 174.167 0.466 19693 346 1 3 . 1 1 9 9 ARG CA C 9 53.246 53.246 55.687 -2.441 19693 347 1 3 . 1 1 9 9 ARG CB C 9 28.531 28.531 32.309 -3.778 19693 348 1 3 . 1 1 9 9 ARG H H 9 8.031 8.031 8.163 -0.132 19693 349 1 3 . 1 1 10 10 CYS N N 10 117.348 117.348 113.868 3.480 19693 350 1 3 . 1 1 10 10 CYS HA H 10 4.714 4.714 5.119 -0.405 19693 351 1 3 . 1 1 10 10 CYS C C 10 172.334 172.334 175.197 -2.863 19693 352 1 3 . 1 1 10 10 CYS CA C 10 50.246 50.246 56.637 -6.391 19693 353 1 3 . 1 1 10 10 CYS CB C 10 33.460 33.460 31.059 2.401 19693 354 1 3 . 1 1 10 10 CYS H H 10 8.583 8.583 8.091 0.492 19693 355 1 3 . 1 1 11 11 ALA HA H 11 4.296 4.296 4.127 0.169 19693 356 1 3 . 1 1 11 11 ALA CA C 11 49.629 49.629 54.498 -4.869 19693 357 1 3 . 1 1 11 11 ALA CB C 11 16.647 16.647 19.107 -2.459 19693 358 1 3 . 1 1 12 12 THR CB C 12 67.089 67.089 68.098 -1.009 19693 359 1 3 . 1 1 13 13 ARG HA H 13 4.073 4.073 4.193 -0.120 19693 360 1 3 . 1 1 13 13 ARG CA C 13 55.450 55.450 57.223 -1.773 19693 361 1 3 . 1 1 13 13 ARG CB C 13 25.699 25.699 30.924 -5.225 19693 362 1 3 . 1 1 15 15 SER HA H 15 4.692 4.692 4.663 0.029 19693 363 1 3 . 1 1 15 15 SER CB C 15 62.241 62.241 63.738 -1.497 19693 364 1 3 . 1 1 16 16 LEU HA H 16 4.760 4.760 5.282 -0.522 19693 365 1 3 . 1 1 16 16 LEU C C 16 175.052 175.052 176.307 -1.255 19693 366 1 3 . 1 1 16 16 LEU CA C 16 54.175 54.175 54.055 0.120 19693 367 1 3 . 1 1 16 16 LEU CB C 16 38.191 38.191 44.007 -5.816 19693 368 1 3 . 1 1 17 17 SER N N 17 124.162 124.162 120.641 3.521 19693 369 1 3 . 1 1 17 17 SER HA H 17 5.001 5.001 4.685 0.316 19693 370 1 3 . 1 1 17 17 SER C C 17 169.036 169.036 174.605 -5.569 19693 371 1 3 . 1 1 17 17 SER CA C 17 55.531 55.531 57.978 -2.447 19693 372 1 3 . 1 1 17 17 SER CB C 17 63.316 63.316 64.151 -0.835 19693 373 1 3 . 1 1 17 17 SER H H 17 9.441 9.441 9.263 0.178 19693 374 1 3 . 1 1 18 18 GLY N N 18 108.239 108.239 109.181 -0.942 19693 375 1 3 . 1 1 18 18 GLY C C 18 168.084 168.084 171.671 -3.587 19693 376 1 3 . 1 1 18 18 GLY CA C 18 41.868 41.868 45.514 -3.646 19693 377 1 3 . 1 1 18 18 GLY H H 18 7.359 7.359 7.464 -0.105 19693 378 1 3 . 1 1 19 19 VAL N N 19 112.833 112.833 115.825 -2.992 19693 379 1 3 . 1 1 19 19 VAL HA H 19 5.134 5.134 5.366 -0.232 19693 380 1 3 . 1 1 19 19 VAL C C 19 172.336 172.336 175.039 -2.703 19693 381 1 3 . 1 1 19 19 VAL CA C 19 57.390 57.390 59.853 -2.463 19693 382 1 3 . 1 1 19 19 VAL CB C 19 33.578 33.578 35.346 -1.768 19693 383 1 3 . 1 1 19 19 VAL H H 19 8.303 8.303 8.346 -0.043 19693 384 1 3 . 1 1 20 20 CYS N N 20 120.436 120.436 123.291 -2.855 19693 385 1 3 . 1 1 20 20 CYS HA H 20 4.884 4.884 4.848 0.036 19693 386 1 3 . 1 1 20 20 CYS C C 20 169.569 169.569 174.350 -4.781 19693 387 1 3 . 1 1 20 20 CYS CA C 20 51.297 51.297 57.657 -6.360 19693 388 1 3 . 1 1 20 20 CYS CB C 20 42.803 42.803 28.852 13.951 19693 389 1 3 . 1 1 20 20 CYS H H 20 9.245 9.245 9.162 0.083 19693 390 1 3 . 1 1 21 21 GLU N N 21 128.078 128.078 126.610 1.468 19693 391 1 3 . 1 1 21 21 GLU HA H 21 5.183 5.183 4.961 0.222 19693 392 1 3 . 1 1 21 21 GLU C C 21 172.311 172.311 175.555 -3.244 19693 393 1 3 . 1 1 21 21 GLU CA C 21 52.216 52.216 56.146 -3.930 19693 394 1 3 . 1 1 21 21 GLU CB C 21 25.376 25.376 30.124 -4.748 19693 395 1 3 . 1 1 21 21 GLU H H 21 8.981 8.981 8.647 0.334 19693 396 1 3 . 1 1 22 22 ILE N N 22 127.676 127.676 128.089 -0.413 19693 397 1 3 . 1 1 22 22 ILE HA H 22 4.245 4.245 4.486 -0.241 19693 398 1 3 . 1 1 22 22 ILE C C 22 173.339 173.339 175.911 -2.572 19693 399 1 3 . 1 1 22 22 ILE CA C 22 58.037 58.037 60.775 -2.738 19693 400 1 3 . 1 1 22 22 ILE CB C 22 38.309 38.309 40.730 -2.421 19693 401 1 3 . 1 1 22 22 ILE H H 22 8.884 8.884 9.156 -0.272 19693 402 1 3 . 1 1 23 23 SER N N 23 123.963 123.963 121.574 2.389 19693 403 1 3 . 1 1 23 23 SER HA H 23 4.016 4.016 4.111 -0.095 19693 404 1 3 . 1 1 23 23 SER C C 23 172.285 172.285 175.521 -3.236 19693 405 1 3 . 1 1 23 23 SER CA C 23 56.097 56.097 59.368 -3.271 19693 406 1 3 . 1 1 23 23 SER CB C 23 59.837 59.837 61.311 -1.474 19693 407 1 3 . 1 1 23 23 SER H H 23 9.442 9.442 9.319 0.123 19693 408 1 3 . 1 1 24 24 GLY N N 24 104.009 104.009 108.816 -4.807 19693 409 1 3 . 1 1 24 24 GLY C C 24 170.889 170.889 172.917 -2.028 19693 410 1 3 . 1 1 24 24 GLY CA C 24 42.608 42.608 44.813 -2.205 19693 411 1 3 . 1 1 24 24 GLY H H 24 8.570 8.570 9.185 -0.615 19693 412 1 3 . 1 1 25 25 ARG N N 25 120.867 120.867 120.294 0.573 19693 413 1 3 . 1 1 25 25 ARG HA H 25 4.513 4.513 4.662 -0.149 19693 414 1 3 . 1 1 25 25 ARG C C 25 170.369 170.369 174.131 -3.762 19693 415 1 3 . 1 1 25 25 ARG CA C 25 51.617 51.617 54.661 -3.044 19693 416 1 3 . 1 1 25 25 ARG CB C 25 30.201 30.201 32.590 -2.389 19693 417 1 3 . 1 1 25 25 ARG H H 25 7.822 7.822 8.031 -0.209 19693 418 1 3 . 1 1 26 26 LEU N N 26 123.477 123.477 127.604 -4.127 19693 419 1 3 . 1 1 26 26 LEU HA H 26 4.565 4.565 4.549 0.016 19693 420 1 3 . 1 1 26 26 LEU C C 26 173.212 173.212 175.120 -1.908 19693 421 1 3 . 1 1 26 26 LEU CA C 26 51.739 51.739 53.604 -1.865 19693 422 1 3 . 1 1 26 26 LEU CB C 26 40.261 40.261 42.793 -2.532 19693 423 1 3 . 1 1 26 26 LEU H H 26 8.091 8.091 8.678 -0.587 19693 424 1 3 . 1 1 27 27 TYR N N 27 124.804 124.804 126.808 -2.004 19693 425 1 3 . 1 1 27 27 TYR HA H 27 4.460 4.460 5.072 -0.612 19693 426 1 3 . 1 1 27 27 TYR C C 27 172.476 172.476 175.463 -2.987 19693 427 1 3 . 1 1 27 27 TYR CA C 27 54.890 54.890 57.038 -2.148 19693 428 1 3 . 1 1 27 27 TYR CB C 27 37.029 37.029 39.116 -2.087 19693 429 1 3 . 1 1 27 27 TYR H H 27 9.031 9.031 9.001 0.030 19693 430 1 3 . 1 1 28 28 ARG N N 28 123.114 123.114 122.984 0.130 19693 431 1 3 . 1 1 28 28 ARG HA H 28 4.383 4.383 5.040 -0.657 19693 432 1 3 . 1 1 28 28 ARG C C 28 171.981 171.981 175.179 -3.198 19693 433 1 3 . 1 1 28 28 ARG CA C 28 53.833 53.833 55.263 -1.430 19693 434 1 3 . 1 1 28 28 ARG CB C 28 28.603 28.603 32.858 -4.255 19693 435 1 3 . 1 1 28 28 ARG H H 28 9.196 9.196 9.357 -0.161 19693 436 1 3 . 1 1 29 29 LEU N N 29 120.619 120.619 121.058 -0.439 19693 437 1 3 . 1 1 29 29 LEU HA H 29 4.982 4.982 5.387 -0.405 19693 438 1 3 . 1 1 29 29 LEU C C 29 172.425 172.425 175.836 -3.411 19693 439 1 3 . 1 1 29 29 LEU CA C 29 50.185 50.185 53.093 -2.908 19693 440 1 3 . 1 1 29 29 LEU CB C 29 37.792 37.792 44.711 -6.919 19693 441 1 3 . 1 1 29 29 LEU H H 29 8.329 8.329 8.855 -0.526 19693 442 1 3 . 1 1 30 30 CYS N N 30 125.083 125.083 117.749 7.334 19693 443 1 3 . 1 1 30 30 CYS HA H 30 5.287 5.287 5.019 0.268 19693 444 1 3 . 1 1 30 30 CYS C C 30 172.146 172.146 172.654 -0.508 19693 445 1 3 . 1 1 30 30 CYS CA C 30 50.276 50.276 56.181 -5.905 19693 446 1 3 . 1 1 30 30 CYS CB C 30 39.605 39.605 29.345 10.260 19693 447 1 3 . 1 1 30 30 CYS H H 30 8.786 8.786 8.234 0.552 19693 448 1 3 . 1 1 31 31 CYS N N 31 120.846 120.846 122.586 -1.740 19693 449 1 3 . 1 1 31 31 CYS HA H 31 5.666 5.666 4.960 0.706 19693 450 1 3 . 1 1 31 31 CYS C C 31 171.511 171.511 173.200 -1.689 19693 451 1 3 . 1 1 31 31 CYS CA C 31 53.018 53.018 58.334 -5.316 19693 452 1 3 . 1 1 31 31 CYS CB C 31 46.072 46.072 30.570 15.502 19693 453 1 3 . 1 1 31 31 CYS H H 31 8.954 8.954 8.470 0.484 19693 454 1 4 . 1 1 2 2 THR N N 2 115.586 115.586 116.387 -0.801 19693 455 1 4 . 1 1 2 2 THR HA H 2 4.571 4.571 4.764 -0.193 19693 456 1 4 . 1 1 2 2 THR C C 2 170.749 170.749 173.184 -2.435 19693 457 1 4 . 1 1 2 2 THR CA C 2 59.977 59.977 62.369 -2.392 19693 458 1 4 . 1 1 2 2 THR CB C 2 68.060 68.060 69.227 -1.167 19693 459 1 4 . 1 1 2 2 THR H H 2 8.365 8.365 8.702 -0.337 19693 460 1 4 . 1 1 3 3 CYS N N 3 122.021 122.021 124.710 -2.689 19693 461 1 4 . 1 1 3 3 CYS HA H 3 5.529 5.529 4.770 0.759 19693 462 1 4 . 1 1 3 3 CYS C C 3 168.490 168.490 173.751 -5.261 19693 463 1 4 . 1 1 3 3 CYS CA C 3 52.424 52.424 57.656 -5.232 19693 464 1 4 . 1 1 3 3 CYS CB C 3 47.514 47.514 30.783 16.731 19693 465 1 4 . 1 1 3 3 CYS H H 3 8.279 8.279 8.865 -0.586 19693 466 1 4 . 1 1 4 4 TYR N N 4 117.786 117.786 118.199 -0.413 19693 467 1 4 . 1 1 4 4 TYR HA H 4 4.736 4.736 4.842 -0.106 19693 468 1 4 . 1 1 4 4 TYR C C 4 172.133 172.133 173.545 -1.412 19693 469 1 4 . 1 1 4 4 TYR CA C 4 53.772 53.772 56.292 -2.520 19693 470 1 4 . 1 1 4 4 TYR CB C 4 39.602 39.602 39.082 0.520 19693 471 1 4 . 1 1 4 4 TYR H H 4 8.632 8.632 8.274 0.358 19693 472 1 4 . 1 1 5 5 CYS N N 5 118.451 118.451 122.450 -3.999 19693 473 1 4 . 1 1 5 5 CYS HA H 5 5.397 5.397 5.244 0.153 19693 474 1 4 . 1 1 5 5 CYS C C 5 171.739 171.739 175.228 -3.489 19693 475 1 4 . 1 1 5 5 CYS CA C 5 53.833 53.833 57.799 -3.966 19693 476 1 4 . 1 1 5 5 CYS CB C 5 41.545 41.545 26.162 15.383 19693 477 1 4 . 1 1 5 5 CYS H H 5 8.902 8.902 8.583 0.319 19693 478 1 4 . 1 1 6 6 ARG N N 6 123.236 123.236 124.749 -1.513 19693 479 1 4 . 1 1 6 6 ARG HA H 6 5.018 5.018 5.009 0.009 19693 480 1 4 . 1 1 6 6 ARG C C 6 172.945 172.945 176.716 -3.771 19693 481 1 4 . 1 1 6 6 ARG CA C 6 51.799 51.799 54.670 -2.871 19693 482 1 4 . 1 1 6 6 ARG CB C 6 30.528 30.528 32.688 -2.160 19693 483 1 4 . 1 1 6 6 ARG H H 6 9.615 9.615 9.098 0.517 19693 484 1 4 . 1 1 7 7 THR N N 7 113.052 113.052 112.663 0.389 19693 485 1 4 . 1 1 7 7 THR HA H 7 4.349 4.349 4.795 -0.446 19693 486 1 4 . 1 1 7 7 THR C C 7 173.351 173.351 174.343 -0.992 19693 487 1 4 . 1 1 7 7 THR CA C 7 59.780 59.780 61.258 -1.478 19693 488 1 4 . 1 1 7 7 THR CB C 7 66.445 66.445 69.242 -2.796 19693 489 1 4 . 1 1 7 7 THR H H 7 8.713 8.713 8.541 0.172 19693 490 1 4 . 1 1 8 8 GLY N N 8 111.886 111.886 109.206 2.680 19693 491 1 4 . 1 1 8 8 GLY C C 8 169.531 169.531 172.918 -3.387 19693 492 1 4 . 1 1 8 8 GLY CA C 8 41.730 41.730 43.870 -2.140 19693 493 1 4 . 1 1 8 8 GLY H H 8 7.884 7.884 7.514 0.370 19693 494 1 4 . 1 1 9 9 ARG N N 9 117.348 117.348 117.464 -0.116 19693 495 1 4 . 1 1 9 9 ARG HA H 9 4.137 4.137 4.678 -0.540 19693 496 1 4 . 1 1 9 9 ARG C C 9 174.633 174.633 175.014 -0.381 19693 497 1 4 . 1 1 9 9 ARG CA C 9 53.246 53.246 55.858 -2.611 19693 498 1 4 . 1 1 9 9 ARG CB C 9 28.531 28.531 31.757 -3.226 19693 499 1 4 . 1 1 9 9 ARG H H 9 8.031 8.031 8.629 -0.598 19693 500 1 4 . 1 1 10 10 CYS N N 10 117.348 117.348 115.395 1.953 19693 501 1 4 . 1 1 10 10 CYS HA H 10 4.714 4.714 4.821 -0.107 19693 502 1 4 . 1 1 10 10 CYS C C 10 172.334 172.334 175.339 -3.005 19693 503 1 4 . 1 1 10 10 CYS CA C 10 50.246 50.246 55.249 -5.003 19693 504 1 4 . 1 1 10 10 CYS CB C 10 33.460 33.460 30.189 3.271 19693 505 1 4 . 1 1 10 10 CYS H H 10 8.583 8.583 8.683 -0.100 19693 506 1 4 . 1 1 11 11 ALA HA H 11 4.296 4.296 4.337 -0.041 19693 507 1 4 . 1 1 11 11 ALA CA C 11 49.629 49.629 53.967 -4.338 19693 508 1 4 . 1 1 11 11 ALA CB C 11 16.647 16.647 17.447 -0.800 19693 509 1 4 . 1 1 12 12 THR CB C 12 67.089 67.089 69.238 -2.149 19693 510 1 4 . 1 1 13 13 ARG HA H 13 4.073 4.073 3.927 0.146 19693 511 1 4 . 1 1 13 13 ARG CA C 13 55.450 55.450 58.707 -3.257 19693 512 1 4 . 1 1 13 13 ARG CB C 13 25.699 25.699 28.533 -2.834 19693 513 1 4 . 1 1 15 15 SER HA H 15 4.692 4.692 4.319 0.373 19693 514 1 4 . 1 1 15 15 SER CB C 15 62.241 62.241 63.391 -1.150 19693 515 1 4 . 1 1 16 16 LEU HA H 16 4.760 4.760 4.488 0.272 19693 516 1 4 . 1 1 16 16 LEU C C 16 175.052 175.052 176.745 -1.693 19693 517 1 4 . 1 1 16 16 LEU CA C 16 54.175 54.175 55.272 -1.097 19693 518 1 4 . 1 1 16 16 LEU CB C 16 38.191 38.191 42.297 -4.106 19693 519 1 4 . 1 1 17 17 SER N N 17 124.162 124.162 121.186 2.976 19693 520 1 4 . 1 1 17 17 SER HA H 17 5.001 5.001 4.666 0.335 19693 521 1 4 . 1 1 17 17 SER C C 17 169.036 169.036 174.554 -5.518 19693 522 1 4 . 1 1 17 17 SER CA C 17 55.531 55.531 58.047 -2.516 19693 523 1 4 . 1 1 17 17 SER CB C 17 63.316 63.316 65.172 -1.856 19693 524 1 4 . 1 1 17 17 SER H H 17 9.441 9.441 9.214 0.227 19693 525 1 4 . 1 1 18 18 GLY N N 18 108.239 108.239 110.616 -2.377 19693 526 1 4 . 1 1 18 18 GLY C C 18 168.084 168.084 171.771 -3.687 19693 527 1 4 . 1 1 18 18 GLY CA C 18 41.868 41.868 45.824 -3.956 19693 528 1 4 . 1 1 18 18 GLY H H 18 7.359 7.359 7.487 -0.128 19693 529 1 4 . 1 1 19 19 VAL N N 19 112.833 112.833 116.381 -3.548 19693 530 1 4 . 1 1 19 19 VAL HA H 19 5.134 5.134 5.444 -0.310 19693 531 1 4 . 1 1 19 19 VAL C C 19 172.336 172.336 174.778 -2.442 19693 532 1 4 . 1 1 19 19 VAL CA C 19 57.390 57.390 59.372 -1.982 19693 533 1 4 . 1 1 19 19 VAL CB C 19 33.578 33.578 35.454 -1.876 19693 534 1 4 . 1 1 19 19 VAL H H 19 8.303 8.303 8.396 -0.093 19693 535 1 4 . 1 1 20 20 CYS N N 20 120.436 120.436 121.066 -0.630 19693 536 1 4 . 1 1 20 20 CYS HA H 20 4.884 4.884 4.912 -0.028 19693 537 1 4 . 1 1 20 20 CYS C C 20 169.569 169.569 174.209 -4.640 19693 538 1 4 . 1 1 20 20 CYS CA C 20 51.297 51.297 57.630 -6.333 19693 539 1 4 . 1 1 20 20 CYS CB C 20 42.803 42.803 29.436 13.367 19693 540 1 4 . 1 1 20 20 CYS H H 20 9.245 9.245 9.142 0.103 19693 541 1 4 . 1 1 21 21 GLU N N 21 128.078 128.078 126.230 1.848 19693 542 1 4 . 1 1 21 21 GLU HA H 21 5.183 5.183 4.974 0.209 19693 543 1 4 . 1 1 21 21 GLU C C 21 172.311 172.311 175.653 -3.342 19693 544 1 4 . 1 1 21 21 GLU CA C 21 52.216 52.216 56.211 -3.995 19693 545 1 4 . 1 1 21 21 GLU CB C 21 25.376 25.376 30.187 -4.811 19693 546 1 4 . 1 1 21 21 GLU H H 21 8.981 8.981 8.697 0.284 19693 547 1 4 . 1 1 22 22 ILE N N 22 127.676 127.676 128.572 -0.896 19693 548 1 4 . 1 1 22 22 ILE HA H 22 4.245 4.245 4.526 -0.281 19693 549 1 4 . 1 1 22 22 ILE C C 22 173.339 173.339 176.010 -2.671 19693 550 1 4 . 1 1 22 22 ILE CA C 22 58.037 58.037 60.729 -2.692 19693 551 1 4 . 1 1 22 22 ILE CB C 22 38.309 38.309 40.434 -2.125 19693 552 1 4 . 1 1 22 22 ILE H H 22 8.884 8.884 9.256 -0.372 19693 553 1 4 . 1 1 23 23 SER N N 23 123.963 123.963 123.681 0.282 19693 554 1 4 . 1 1 23 23 SER HA H 23 4.016 4.016 4.154 -0.138 19693 555 1 4 . 1 1 23 23 SER C C 23 172.285 172.285 175.064 -2.779 19693 556 1 4 . 1 1 23 23 SER CA C 23 56.097 56.097 59.254 -3.157 19693 557 1 4 . 1 1 23 23 SER CB C 23 59.837 59.837 61.884 -2.047 19693 558 1 4 . 1 1 23 23 SER H H 23 9.442 9.442 9.358 0.084 19693 559 1 4 . 1 1 24 24 GLY N N 24 104.009 104.009 107.279 -3.270 19693 560 1 4 . 1 1 24 24 GLY C C 24 170.889 170.889 173.265 -2.376 19693 561 1 4 . 1 1 24 24 GLY CA C 24 42.608 42.608 44.792 -2.184 19693 562 1 4 . 1 1 24 24 GLY H H 24 8.570 8.570 8.322 0.248 19693 563 1 4 . 1 1 25 25 ARG N N 25 120.867 120.867 120.455 0.412 19693 564 1 4 . 1 1 25 25 ARG HA H 25 4.513 4.513 4.607 -0.094 19693 565 1 4 . 1 1 25 25 ARG C C 25 170.369 170.369 174.316 -3.947 19693 566 1 4 . 1 1 25 25 ARG CA C 25 51.617 51.617 54.798 -3.181 19693 567 1 4 . 1 1 25 25 ARG CB C 25 30.201 30.201 32.282 -2.081 19693 568 1 4 . 1 1 25 25 ARG H H 25 7.822 7.822 7.914 -0.092 19693 569 1 4 . 1 1 26 26 LEU N N 26 123.477 123.477 125.508 -2.031 19693 570 1 4 . 1 1 26 26 LEU HA H 26 4.565 4.565 4.337 0.228 19693 571 1 4 . 1 1 26 26 LEU C C 26 173.212 173.212 175.325 -2.113 19693 572 1 4 . 1 1 26 26 LEU CA C 26 51.739 51.739 53.976 -2.237 19693 573 1 4 . 1 1 26 26 LEU CB C 26 40.261 40.261 42.821 -2.560 19693 574 1 4 . 1 1 26 26 LEU H H 26 8.091 8.091 8.568 -0.477 19693 575 1 4 . 1 1 27 27 TYR N N 27 124.804 124.804 123.720 1.084 19693 576 1 4 . 1 1 27 27 TYR HA H 27 4.460 4.460 5.408 -0.948 19693 577 1 4 . 1 1 27 27 TYR C C 27 172.476 172.476 175.153 -2.677 19693 578 1 4 . 1 1 27 27 TYR CA C 27 54.890 54.890 56.432 -1.542 19693 579 1 4 . 1 1 27 27 TYR CB C 27 37.029 37.029 40.274 -3.245 19693 580 1 4 . 1 1 27 27 TYR H H 27 9.031 9.031 8.789 0.242 19693 581 1 4 . 1 1 28 28 ARG N N 28 123.114 123.114 122.839 0.275 19693 582 1 4 . 1 1 28 28 ARG HA H 28 4.383 4.383 5.013 -0.630 19693 583 1 4 . 1 1 28 28 ARG C C 28 171.981 171.981 175.042 -3.061 19693 584 1 4 . 1 1 28 28 ARG CA C 28 53.833 53.833 54.827 -0.994 19693 585 1 4 . 1 1 28 28 ARG CB C 28 28.603 28.603 33.317 -4.714 19693 586 1 4 . 1 1 28 28 ARG H H 28 9.196 9.196 9.409 -0.212 19693 587 1 4 . 1 1 29 29 LEU N N 29 120.619 120.619 123.882 -3.263 19693 588 1 4 . 1 1 29 29 LEU HA H 29 4.982 4.982 5.376 -0.394 19693 589 1 4 . 1 1 29 29 LEU C C 29 172.425 172.425 175.550 -3.125 19693 590 1 4 . 1 1 29 29 LEU CA C 29 50.185 50.185 53.202 -3.017 19693 591 1 4 . 1 1 29 29 LEU CB C 29 37.792 37.792 42.932 -5.140 19693 592 1 4 . 1 1 29 29 LEU H H 29 8.329 8.329 9.024 -0.695 19693 593 1 4 . 1 1 30 30 CYS N N 30 125.083 125.083 119.385 5.698 19693 594 1 4 . 1 1 30 30 CYS HA H 30 5.287 5.287 5.346 -0.059 19693 595 1 4 . 1 1 30 30 CYS C C 30 172.146 172.146 174.103 -1.957 19693 596 1 4 . 1 1 30 30 CYS CA C 30 50.276 50.276 55.676 -5.400 19693 597 1 4 . 1 1 30 30 CYS CB C 30 39.605 39.605 27.417 12.188 19693 598 1 4 . 1 1 30 30 CYS H H 30 8.786 8.786 8.020 0.766 19693 599 1 4 . 1 1 31 31 CYS N N 31 120.846 120.846 125.509 -4.663 19693 600 1 4 . 1 1 31 31 CYS HA H 31 5.666 5.666 5.036 0.630 19693 601 1 4 . 1 1 31 31 CYS C C 31 171.511 171.511 173.963 -2.452 19693 602 1 4 . 1 1 31 31 CYS CA C 31 53.018 53.018 57.374 -4.356 19693 603 1 4 . 1 1 31 31 CYS CB C 31 46.072 46.072 30.716 15.355 19693 604 1 4 . 1 1 31 31 CYS H H 31 8.954 8.954 8.382 0.572 19693 605 1 5 . 1 1 2 2 THR N N 2 115.586 115.586 120.669 -5.083 19693 606 1 5 . 1 1 2 2 THR HA H 2 4.571 4.571 4.750 -0.179 19693 607 1 5 . 1 1 2 2 THR C C 2 170.749 170.749 173.582 -2.833 19693 608 1 5 . 1 1 2 2 THR CA C 2 59.977 59.977 62.087 -2.110 19693 609 1 5 . 1 1 2 2 THR CB C 2 68.060 68.060 68.624 -0.564 19693 610 1 5 . 1 1 2 2 THR H H 2 8.365 8.365 8.424 -0.059 19693 611 1 5 . 1 1 3 3 CYS N N 3 122.021 122.021 125.733 -3.712 19693 612 1 5 . 1 1 3 3 CYS HA H 3 5.529 5.529 5.308 0.221 19693 613 1 5 . 1 1 3 3 CYS C C 3 168.490 168.490 173.883 -5.393 19693 614 1 5 . 1 1 3 3 CYS CA C 3 52.424 52.424 57.268 -4.844 19693 615 1 5 . 1 1 3 3 CYS CB C 3 47.514 47.514 31.030 16.484 19693 616 1 5 . 1 1 3 3 CYS H H 3 8.279 8.279 8.951 -0.672 19693 617 1 5 . 1 1 4 4 TYR N N 4 117.786 117.786 118.314 -0.528 19693 618 1 5 . 1 1 4 4 TYR HA H 4 4.736 4.736 4.871 -0.135 19693 619 1 5 . 1 1 4 4 TYR C C 4 172.133 172.133 173.284 -1.151 19693 620 1 5 . 1 1 4 4 TYR CA C 4 53.772 53.772 56.254 -2.482 19693 621 1 5 . 1 1 4 4 TYR CB C 4 39.602 39.602 39.227 0.375 19693 622 1 5 . 1 1 4 4 TYR H H 4 8.632 8.632 8.435 0.197 19693 623 1 5 . 1 1 5 5 CYS N N 5 118.451 118.451 122.036 -3.585 19693 624 1 5 . 1 1 5 5 CYS HA H 5 5.397 5.397 5.307 0.090 19693 625 1 5 . 1 1 5 5 CYS C C 5 171.739 171.739 174.700 -2.961 19693 626 1 5 . 1 1 5 5 CYS CA C 5 53.833 53.833 58.234 -4.401 19693 627 1 5 . 1 1 5 5 CYS CB C 5 41.545 41.545 26.606 14.939 19693 628 1 5 . 1 1 5 5 CYS H H 5 8.902 8.902 8.619 0.283 19693 629 1 5 . 1 1 6 6 ARG N N 6 123.236 123.236 124.708 -1.472 19693 630 1 5 . 1 1 6 6 ARG HA H 6 5.018 5.018 4.931 0.087 19693 631 1 5 . 1 1 6 6 ARG C C 6 172.945 172.945 176.427 -3.482 19693 632 1 5 . 1 1 6 6 ARG CA C 6 51.799 51.799 54.495 -2.696 19693 633 1 5 . 1 1 6 6 ARG CB C 6 30.528 30.528 31.808 -1.280 19693 634 1 5 . 1 1 6 6 ARG H H 6 9.615 9.615 9.180 0.435 19693 635 1 5 . 1 1 7 7 THR N N 7 113.052 113.052 113.665 -0.613 19693 636 1 5 . 1 1 7 7 THR HA H 7 4.349 4.349 4.817 -0.468 19693 637 1 5 . 1 1 7 7 THR C C 7 173.351 173.351 174.867 -1.516 19693 638 1 5 . 1 1 7 7 THR CA C 7 59.780 59.780 61.797 -2.017 19693 639 1 5 . 1 1 7 7 THR CB C 7 66.445 66.445 69.115 -2.670 19693 640 1 5 . 1 1 7 7 THR H H 7 8.713 8.713 8.651 0.062 19693 641 1 5 . 1 1 8 8 GLY N N 8 111.886 111.886 109.241 2.645 19693 642 1 5 . 1 1 8 8 GLY C C 8 169.531 169.531 172.576 -3.045 19693 643 1 5 . 1 1 8 8 GLY CA C 8 41.730 41.730 44.241 -2.511 19693 644 1 5 . 1 1 8 8 GLY H H 8 7.884 7.884 8.003 -0.119 19693 645 1 5 . 1 1 9 9 ARG N N 9 117.348 117.348 118.322 -0.974 19693 646 1 5 . 1 1 9 9 ARG HA H 9 4.137 4.137 4.624 -0.487 19693 647 1 5 . 1 1 9 9 ARG C C 9 174.633 174.633 173.951 0.682 19693 648 1 5 . 1 1 9 9 ARG CA C 9 53.246 53.246 55.329 -2.083 19693 649 1 5 . 1 1 9 9 ARG CB C 9 28.531 28.531 32.338 -3.807 19693 650 1 5 . 1 1 9 9 ARG H H 9 8.031 8.031 8.112 -0.081 19693 651 1 5 . 1 1 10 10 CYS N N 10 117.348 117.348 112.239 5.109 19693 652 1 5 . 1 1 10 10 CYS HA H 10 4.714 4.714 4.951 -0.237 19693 653 1 5 . 1 1 10 10 CYS C C 10 172.334 172.334 174.392 -2.058 19693 654 1 5 . 1 1 10 10 CYS CA C 10 50.246 50.246 56.924 -6.678 19693 655 1 5 . 1 1 10 10 CYS CB C 10 33.460 33.460 31.146 2.314 19693 656 1 5 . 1 1 10 10 CYS H H 10 8.583 8.583 8.109 0.474 19693 657 1 5 . 1 1 11 11 ALA HA H 11 4.296 4.296 4.349 -0.053 19693 658 1 5 . 1 1 11 11 ALA CA C 11 49.629 49.629 53.391 -3.762 19693 659 1 5 . 1 1 11 11 ALA CB C 11 16.647 16.647 17.266 -0.619 19693 660 1 5 . 1 1 12 12 THR CB C 12 67.089 67.089 69.040 -1.951 19693 661 1 5 . 1 1 13 13 ARG HA H 13 4.073 4.073 3.892 0.181 19693 662 1 5 . 1 1 13 13 ARG CA C 13 55.450 55.450 58.654 -3.204 19693 663 1 5 . 1 1 13 13 ARG CB C 13 25.699 25.699 28.461 -2.762 19693 664 1 5 . 1 1 15 15 SER HA H 15 4.692 4.692 4.595 0.097 19693 665 1 5 . 1 1 15 15 SER CB C 15 62.241 62.241 64.399 -2.158 19693 666 1 5 . 1 1 16 16 LEU HA H 16 4.760 4.760 4.968 -0.208 19693 667 1 5 . 1 1 16 16 LEU C C 16 175.052 175.052 175.208 -0.156 19693 668 1 5 . 1 1 16 16 LEU CA C 16 54.175 54.175 54.132 0.043 19693 669 1 5 . 1 1 16 16 LEU CB C 16 38.191 38.191 44.799 -6.608 19693 670 1 5 . 1 1 17 17 SER N N 17 124.162 124.162 120.983 3.179 19693 671 1 5 . 1 1 17 17 SER HA H 17 5.001 5.001 4.726 0.275 19693 672 1 5 . 1 1 17 17 SER C C 17 169.036 169.036 174.187 -5.151 19693 673 1 5 . 1 1 17 17 SER CA C 17 55.531 55.531 58.551 -3.020 19693 674 1 5 . 1 1 17 17 SER CB C 17 63.316 63.316 64.560 -1.244 19693 675 1 5 . 1 1 17 17 SER H H 17 9.441 9.441 9.303 0.138 19693 676 1 5 . 1 1 18 18 GLY N N 18 108.239 108.239 109.579 -1.340 19693 677 1 5 . 1 1 18 18 GLY C C 18 168.084 168.084 171.817 -3.733 19693 678 1 5 . 1 1 18 18 GLY CA C 18 41.868 41.868 45.744 -3.876 19693 679 1 5 . 1 1 18 18 GLY H H 18 7.359 7.359 7.525 -0.166 19693 680 1 5 . 1 1 19 19 VAL N N 19 112.833 112.833 115.108 -2.275 19693 681 1 5 . 1 1 19 19 VAL HA H 19 5.134 5.134 5.440 -0.306 19693 682 1 5 . 1 1 19 19 VAL C C 19 172.336 172.336 174.770 -2.434 19693 683 1 5 . 1 1 19 19 VAL CA C 19 57.390 57.390 58.748 -1.358 19693 684 1 5 . 1 1 19 19 VAL CB C 19 33.578 33.578 35.140 -1.562 19693 685 1 5 . 1 1 19 19 VAL H H 19 8.303 8.303 8.379 -0.076 19693 686 1 5 . 1 1 20 20 CYS N N 20 120.436 120.436 120.186 0.250 19693 687 1 5 . 1 1 20 20 CYS HA H 20 4.884 4.884 4.922 -0.038 19693 688 1 5 . 1 1 20 20 CYS C C 20 169.569 169.569 173.658 -4.089 19693 689 1 5 . 1 1 20 20 CYS CA C 20 51.297 51.297 57.717 -6.420 19693 690 1 5 . 1 1 20 20 CYS CB C 20 42.803 42.803 29.688 13.115 19693 691 1 5 . 1 1 20 20 CYS H H 20 9.245 9.245 9.280 -0.035 19693 692 1 5 . 1 1 21 21 GLU N N 21 128.078 128.078 125.845 2.233 19693 693 1 5 . 1 1 21 21 GLU HA H 21 5.183 5.183 4.834 0.349 19693 694 1 5 . 1 1 21 21 GLU C C 21 172.311 172.311 175.783 -3.472 19693 695 1 5 . 1 1 21 21 GLU CA C 21 52.216 52.216 56.310 -4.094 19693 696 1 5 . 1 1 21 21 GLU CB C 21 25.376 25.376 30.146 -4.770 19693 697 1 5 . 1 1 21 21 GLU H H 21 8.981 8.981 8.699 0.282 19693 698 1 5 . 1 1 22 22 ILE N N 22 127.676 127.676 128.575 -0.899 19693 699 1 5 . 1 1 22 22 ILE HA H 22 4.245 4.245 4.544 -0.299 19693 700 1 5 . 1 1 22 22 ILE C C 22 173.339 173.339 176.300 -2.961 19693 701 1 5 . 1 1 22 22 ILE CA C 22 58.037 58.037 60.729 -2.692 19693 702 1 5 . 1 1 22 22 ILE CB C 22 38.309 38.309 40.072 -1.763 19693 703 1 5 . 1 1 22 22 ILE H H 22 8.884 8.884 9.070 -0.186 19693 704 1 5 . 1 1 23 23 SER N N 23 123.963 123.963 122.442 1.521 19693 705 1 5 . 1 1 23 23 SER HA H 23 4.016 4.016 4.197 -0.181 19693 706 1 5 . 1 1 23 23 SER C C 23 172.285 172.285 174.929 -2.644 19693 707 1 5 . 1 1 23 23 SER CA C 23 56.097 56.097 59.488 -3.391 19693 708 1 5 . 1 1 23 23 SER CB C 23 59.837 59.837 61.480 -1.643 19693 709 1 5 . 1 1 23 23 SER H H 23 9.442 9.442 9.355 0.087 19693 710 1 5 . 1 1 24 24 GLY N N 24 104.009 104.009 107.146 -3.137 19693 711 1 5 . 1 1 24 24 GLY C C 24 170.889 170.889 174.093 -3.204 19693 712 1 5 . 1 1 24 24 GLY CA C 24 42.608 42.608 44.974 -2.366 19693 713 1 5 . 1 1 24 24 GLY H H 24 8.570 8.570 8.482 0.088 19693 714 1 5 . 1 1 25 25 ARG N N 25 120.867 120.867 121.651 -0.784 19693 715 1 5 . 1 1 25 25 ARG HA H 25 4.513 4.513 4.527 -0.014 19693 716 1 5 . 1 1 25 25 ARG C C 25 170.369 170.369 174.532 -4.163 19693 717 1 5 . 1 1 25 25 ARG CA C 25 51.617 51.617 55.311 -3.694 19693 718 1 5 . 1 1 25 25 ARG CB C 25 30.201 30.201 31.541 -1.340 19693 719 1 5 . 1 1 25 25 ARG H H 25 7.822 7.822 7.873 -0.051 19693 720 1 5 . 1 1 26 26 LEU N N 26 123.477 123.477 126.730 -3.253 19693 721 1 5 . 1 1 26 26 LEU HA H 26 4.565 4.565 4.441 0.124 19693 722 1 5 . 1 1 26 26 LEU C C 26 173.212 173.212 174.901 -1.689 19693 723 1 5 . 1 1 26 26 LEU CA C 26 51.739 51.739 53.563 -1.824 19693 724 1 5 . 1 1 26 26 LEU CB C 26 40.261 40.261 42.701 -2.440 19693 725 1 5 . 1 1 26 26 LEU H H 26 8.091 8.091 8.549 -0.458 19693 726 1 5 . 1 1 27 27 TYR N N 27 124.804 124.804 127.084 -2.280 19693 727 1 5 . 1 1 27 27 TYR HA H 27 4.460 4.460 4.799 -0.339 19693 728 1 5 . 1 1 27 27 TYR C C 27 172.476 172.476 175.008 -2.532 19693 729 1 5 . 1 1 27 27 TYR CA C 27 54.890 54.890 57.149 -2.259 19693 730 1 5 . 1 1 27 27 TYR CB C 27 37.029 37.029 38.687 -1.658 19693 731 1 5 . 1 1 27 27 TYR H H 27 9.031 9.031 9.113 -0.082 19693 732 1 5 . 1 1 28 28 ARG N N 28 123.114 123.114 123.582 -0.468 19693 733 1 5 . 1 1 28 28 ARG HA H 28 4.383 4.383 4.837 -0.454 19693 734 1 5 . 1 1 28 28 ARG C C 28 171.981 171.981 175.271 -3.290 19693 735 1 5 . 1 1 28 28 ARG CA C 28 53.833 53.833 55.447 -1.614 19693 736 1 5 . 1 1 28 28 ARG CB C 28 28.603 28.603 32.151 -3.548 19693 737 1 5 . 1 1 28 28 ARG H H 28 9.196 9.196 9.211 -0.015 19693 738 1 5 . 1 1 29 29 LEU N N 29 120.619 120.619 124.369 -3.750 19693 739 1 5 . 1 1 29 29 LEU HA H 29 4.982 4.982 5.312 -0.330 19693 740 1 5 . 1 1 29 29 LEU C C 29 172.425 172.425 175.740 -3.315 19693 741 1 5 . 1 1 29 29 LEU CA C 29 50.185 50.185 53.287 -3.102 19693 742 1 5 . 1 1 29 29 LEU CB C 29 37.792 37.792 42.934 -5.142 19693 743 1 5 . 1 1 29 29 LEU H H 29 8.329 8.329 9.121 -0.792 19693 744 1 5 . 1 1 30 30 CYS N N 30 125.083 125.083 118.895 6.188 19693 745 1 5 . 1 1 30 30 CYS HA H 30 5.287 5.287 4.922 0.365 19693 746 1 5 . 1 1 30 30 CYS C C 30 172.146 172.146 173.349 -1.203 19693 747 1 5 . 1 1 30 30 CYS CA C 30 50.276 50.276 56.044 -5.769 19693 748 1 5 . 1 1 30 30 CYS CB C 30 39.605 39.605 27.997 11.608 19693 749 1 5 . 1 1 30 30 CYS H H 30 8.786 8.786 8.170 0.616 19693 750 1 5 . 1 1 31 31 CYS N N 31 120.846 120.846 123.575 -2.729 19693 751 1 5 . 1 1 31 31 CYS HA H 31 5.666 5.666 5.253 0.413 19693 752 1 5 . 1 1 31 31 CYS C C 31 171.511 171.511 173.618 -2.107 19693 753 1 5 . 1 1 31 31 CYS CA C 31 53.018 53.018 58.009 -4.991 19693 754 1 5 . 1 1 31 31 CYS CB C 31 46.072 46.072 30.154 15.918 19693 755 1 5 . 1 1 31 31 CYS H H 31 8.954 8.954 8.721 0.233 19693 756 1 6 . 1 1 2 2 THR N N 2 115.586 115.586 120.311 -4.725 19693 757 1 6 . 1 1 2 2 THR HA H 2 4.571 4.571 4.694 -0.123 19693 758 1 6 . 1 1 2 2 THR C C 2 170.749 170.749 173.659 -2.910 19693 759 1 6 . 1 1 2 2 THR CA C 2 59.977 59.977 61.850 -1.873 19693 760 1 6 . 1 1 2 2 THR CB C 2 68.060 68.060 68.876 -0.816 19693 761 1 6 . 1 1 2 2 THR H H 2 8.365 8.365 8.516 -0.151 19693 762 1 6 . 1 1 3 3 CYS N N 3 122.021 122.021 126.231 -4.210 19693 763 1 6 . 1 1 3 3 CYS HA H 3 5.529 5.529 5.184 0.345 19693 764 1 6 . 1 1 3 3 CYS C C 3 168.490 168.490 174.081 -5.591 19693 765 1 6 . 1 1 3 3 CYS CA C 3 52.424 52.424 57.329 -4.905 19693 766 1 6 . 1 1 3 3 CYS CB C 3 47.514 47.514 30.744 16.770 19693 767 1 6 . 1 1 3 3 CYS H H 3 8.279 8.279 8.970 -0.691 19693 768 1 6 . 1 1 4 4 TYR N N 4 117.786 117.786 118.530 -0.744 19693 769 1 6 . 1 1 4 4 TYR HA H 4 4.736 4.736 4.860 -0.124 19693 770 1 6 . 1 1 4 4 TYR C C 4 172.133 172.133 173.401 -1.268 19693 771 1 6 . 1 1 4 4 TYR CA C 4 53.772 53.772 56.450 -2.678 19693 772 1 6 . 1 1 4 4 TYR CB C 4 39.602 39.602 39.099 0.503 19693 773 1 6 . 1 1 4 4 TYR H H 4 8.632 8.632 8.211 0.421 19693 774 1 6 . 1 1 5 5 CYS N N 5 118.451 118.451 122.176 -3.725 19693 775 1 6 . 1 1 5 5 CYS HA H 5 5.397 5.397 5.319 0.078 19693 776 1 6 . 1 1 5 5 CYS C C 5 171.739 171.739 175.131 -3.392 19693 777 1 6 . 1 1 5 5 CYS CA C 5 53.833 53.833 57.996 -4.163 19693 778 1 6 . 1 1 5 5 CYS CB C 5 41.545 41.545 26.639 14.906 19693 779 1 6 . 1 1 5 5 CYS H H 5 8.902 8.902 8.546 0.356 19693 780 1 6 . 1 1 6 6 ARG N N 6 123.236 123.236 126.023 -2.787 19693 781 1 6 . 1 1 6 6 ARG HA H 6 5.018 5.018 4.860 0.158 19693 782 1 6 . 1 1 6 6 ARG C C 6 172.945 172.945 176.611 -3.666 19693 783 1 6 . 1 1 6 6 ARG CA C 6 51.799 51.799 55.013 -3.214 19693 784 1 6 . 1 1 6 6 ARG CB C 6 30.528 30.528 31.909 -1.381 19693 785 1 6 . 1 1 6 6 ARG H H 6 9.615 9.615 9.264 0.351 19693 786 1 6 . 1 1 7 7 THR N N 7 113.052 113.052 112.552 0.500 19693 787 1 6 . 1 1 7 7 THR HA H 7 4.349 4.349 4.428 -0.079 19693 788 1 6 . 1 1 7 7 THR C C 7 173.351 173.351 174.772 -1.421 19693 789 1 6 . 1 1 7 7 THR CA C 7 59.780 59.780 62.374 -2.594 19693 790 1 6 . 1 1 7 7 THR CB C 7 66.445 66.445 69.160 -2.715 19693 791 1 6 . 1 1 7 7 THR H H 7 8.713 8.713 8.606 0.107 19693 792 1 6 . 1 1 8 8 GLY N N 8 111.886 111.886 108.917 2.969 19693 793 1 6 . 1 1 8 8 GLY C C 8 169.531 169.531 172.424 -2.893 19693 794 1 6 . 1 1 8 8 GLY CA C 8 41.730 41.730 44.773 -3.043 19693 795 1 6 . 1 1 8 8 GLY H H 8 7.884 7.884 7.882 0.002 19693 796 1 6 . 1 1 9 9 ARG N N 9 117.348 117.348 120.417 -3.069 19693 797 1 6 . 1 1 9 9 ARG HA H 9 4.137 4.137 4.675 -0.538 19693 798 1 6 . 1 1 9 9 ARG C C 9 174.633 174.633 174.937 -0.304 19693 799 1 6 . 1 1 9 9 ARG CA C 9 53.246 53.246 55.306 -2.059 19693 800 1 6 . 1 1 9 9 ARG CB C 9 28.531 28.531 31.916 -3.385 19693 801 1 6 . 1 1 9 9 ARG H H 9 8.031 8.031 8.136 -0.105 19693 802 1 6 . 1 1 10 10 CYS N N 10 117.348 117.348 117.474 -0.126 19693 803 1 6 . 1 1 10 10 CYS HA H 10 4.714 4.714 4.991 -0.277 19693 804 1 6 . 1 1 10 10 CYS C C 10 172.334 172.334 175.115 -2.781 19693 805 1 6 . 1 1 10 10 CYS CA C 10 50.246 50.246 55.933 -5.687 19693 806 1 6 . 1 1 10 10 CYS CB C 10 33.460 33.460 30.266 3.194 19693 807 1 6 . 1 1 10 10 CYS H H 10 8.583 8.583 8.402 0.181 19693 808 1 6 . 1 1 11 11 ALA HA H 11 4.296 4.296 4.173 0.123 19693 809 1 6 . 1 1 11 11 ALA CA C 11 49.629 49.629 54.447 -4.817 19693 810 1 6 . 1 1 11 11 ALA CB C 11 16.647 16.647 19.108 -2.461 19693 811 1 6 . 1 1 12 12 THR CB C 12 67.089 67.089 68.782 -1.693 19693 812 1 6 . 1 1 13 13 ARG HA H 13 4.073 4.073 4.353 -0.280 19693 813 1 6 . 1 1 13 13 ARG CA C 13 55.450 55.450 55.763 -0.313 19693 814 1 6 . 1 1 13 13 ARG CB C 13 25.699 25.699 31.020 -5.322 19693 815 1 6 . 1 1 15 15 SER HA H 15 4.692 4.692 4.419 0.273 19693 816 1 6 . 1 1 15 15 SER CB C 15 62.241 62.241 62.835 -0.594 19693 817 1 6 . 1 1 16 16 LEU HA H 16 4.760 4.760 5.315 -0.555 19693 818 1 6 . 1 1 16 16 LEU C C 16 175.052 175.052 176.135 -1.083 19693 819 1 6 . 1 1 16 16 LEU CA C 16 54.175 54.175 53.975 0.200 19693 820 1 6 . 1 1 16 16 LEU CB C 16 38.191 38.191 44.342 -6.151 19693 821 1 6 . 1 1 17 17 SER N N 17 124.162 124.162 121.045 3.117 19693 822 1 6 . 1 1 17 17 SER HA H 17 5.001 5.001 4.701 0.300 19693 823 1 6 . 1 1 17 17 SER C C 17 169.036 169.036 174.963 -5.927 19693 824 1 6 . 1 1 17 17 SER CA C 17 55.531 55.531 58.277 -2.746 19693 825 1 6 . 1 1 17 17 SER CB C 17 63.316 63.316 64.281 -0.965 19693 826 1 6 . 1 1 17 17 SER H H 17 9.441 9.441 9.209 0.232 19693 827 1 6 . 1 1 18 18 GLY N N 18 108.239 108.239 109.587 -1.348 19693 828 1 6 . 1 1 18 18 GLY C C 18 168.084 168.084 171.843 -3.759 19693 829 1 6 . 1 1 18 18 GLY CA C 18 41.868 41.868 45.384 -3.516 19693 830 1 6 . 1 1 18 18 GLY H H 18 7.359 7.359 7.475 -0.116 19693 831 1 6 . 1 1 19 19 VAL N N 19 112.833 112.833 115.164 -2.331 19693 832 1 6 . 1 1 19 19 VAL HA H 19 5.134 5.134 5.442 -0.308 19693 833 1 6 . 1 1 19 19 VAL C C 19 172.336 172.336 174.721 -2.385 19693 834 1 6 . 1 1 19 19 VAL CA C 19 57.390 57.390 58.535 -1.145 19693 835 1 6 . 1 1 19 19 VAL CB C 19 33.578 33.578 35.232 -1.654 19693 836 1 6 . 1 1 19 19 VAL H H 19 8.303 8.303 8.334 -0.031 19693 837 1 6 . 1 1 20 20 CYS N N 20 120.436 120.436 120.113 0.323 19693 838 1 6 . 1 1 20 20 CYS HA H 20 4.884 4.884 4.936 -0.052 19693 839 1 6 . 1 1 20 20 CYS C C 20 169.569 169.569 173.647 -4.078 19693 840 1 6 . 1 1 20 20 CYS CA C 20 51.297 51.297 57.712 -6.415 19693 841 1 6 . 1 1 20 20 CYS CB C 20 42.803 42.803 29.766 13.037 19693 842 1 6 . 1 1 20 20 CYS H H 20 9.245 9.245 9.380 -0.135 19693 843 1 6 . 1 1 21 21 GLU N N 21 128.078 128.078 125.472 2.606 19693 844 1 6 . 1 1 21 21 GLU HA H 21 5.183 5.183 4.923 0.260 19693 845 1 6 . 1 1 21 21 GLU C C 21 172.311 172.311 175.773 -3.462 19693 846 1 6 . 1 1 21 21 GLU CA C 21 52.216 52.216 56.144 -3.928 19693 847 1 6 . 1 1 21 21 GLU CB C 21 25.376 25.376 30.375 -5.000 19693 848 1 6 . 1 1 21 21 GLU H H 21 8.981 8.981 8.709 0.272 19693 849 1 6 . 1 1 22 22 ILE N N 22 127.676 127.676 128.196 -0.520 19693 850 1 6 . 1 1 22 22 ILE HA H 22 4.245 4.245 4.486 -0.241 19693 851 1 6 . 1 1 22 22 ILE C C 22 173.339 173.339 176.125 -2.786 19693 852 1 6 . 1 1 22 22 ILE CA C 22 58.037 58.037 60.760 -2.723 19693 853 1 6 . 1 1 22 22 ILE CB C 22 38.309 38.309 39.894 -1.585 19693 854 1 6 . 1 1 22 22 ILE H H 22 8.884 8.884 9.020 -0.136 19693 855 1 6 . 1 1 23 23 SER N N 23 123.963 123.963 123.377 0.586 19693 856 1 6 . 1 1 23 23 SER HA H 23 4.016 4.016 4.138 -0.122 19693 857 1 6 . 1 1 23 23 SER C C 23 172.285 172.285 175.006 -2.721 19693 858 1 6 . 1 1 23 23 SER CA C 23 56.097 56.097 59.461 -3.364 19693 859 1 6 . 1 1 23 23 SER CB C 23 59.837 59.837 61.945 -2.108 19693 860 1 6 . 1 1 23 23 SER H H 23 9.442 9.442 9.407 0.035 19693 861 1 6 . 1 1 24 24 GLY N N 24 104.009 104.009 107.172 -3.163 19693 862 1 6 . 1 1 24 24 GLY C C 24 170.889 170.889 173.416 -2.527 19693 863 1 6 . 1 1 24 24 GLY CA C 24 42.608 42.608 44.734 -2.126 19693 864 1 6 . 1 1 24 24 GLY H H 24 8.570 8.570 8.202 0.368 19693 865 1 6 . 1 1 25 25 ARG N N 25 120.867 120.867 121.683 -0.816 19693 866 1 6 . 1 1 25 25 ARG HA H 25 4.513 4.513 4.579 -0.066 19693 867 1 6 . 1 1 25 25 ARG C C 25 170.369 170.369 174.406 -4.037 19693 868 1 6 . 1 1 25 25 ARG CA C 25 51.617 51.617 55.045 -3.428 19693 869 1 6 . 1 1 25 25 ARG CB C 25 30.201 30.201 31.739 -1.538 19693 870 1 6 . 1 1 25 25 ARG H H 25 7.822 7.822 7.934 -0.112 19693 871 1 6 . 1 1 26 26 LEU N N 26 123.477 123.477 126.721 -3.244 19693 872 1 6 . 1 1 26 26 LEU HA H 26 4.565 4.565 4.372 0.193 19693 873 1 6 . 1 1 26 26 LEU C C 26 173.212 173.212 175.038 -1.826 19693 874 1 6 . 1 1 26 26 LEU CA C 26 51.739 51.739 53.756 -2.017 19693 875 1 6 . 1 1 26 26 LEU CB C 26 40.261 40.261 42.509 -2.248 19693 876 1 6 . 1 1 26 26 LEU H H 26 8.091 8.091 8.540 -0.449 19693 877 1 6 . 1 1 27 27 TYR N N 27 124.804 124.804 126.404 -1.600 19693 878 1 6 . 1 1 27 27 TYR HA H 27 4.460 4.460 5.169 -0.709 19693 879 1 6 . 1 1 27 27 TYR C C 27 172.476 172.476 175.485 -3.009 19693 880 1 6 . 1 1 27 27 TYR CA C 27 54.890 54.890 57.142 -2.252 19693 881 1 6 . 1 1 27 27 TYR CB C 27 37.029 37.029 39.669 -2.640 19693 882 1 6 . 1 1 27 27 TYR H H 27 9.031 9.031 8.995 0.036 19693 883 1 6 . 1 1 28 28 ARG N N 28 123.114 123.114 122.489 0.625 19693 884 1 6 . 1 1 28 28 ARG HA H 28 4.383 4.383 5.178 -0.795 19693 885 1 6 . 1 1 28 28 ARG C C 28 171.981 171.981 175.029 -3.048 19693 886 1 6 . 1 1 28 28 ARG CA C 28 53.833 53.833 54.708 -0.875 19693 887 1 6 . 1 1 28 28 ARG CB C 28 28.603 28.603 33.551 -4.949 19693 888 1 6 . 1 1 28 28 ARG H H 28 9.196 9.196 9.381 -0.185 19693 889 1 6 . 1 1 29 29 LEU N N 29 120.619 120.619 120.922 -0.303 19693 890 1 6 . 1 1 29 29 LEU HA H 29 4.982 4.982 5.268 -0.285 19693 891 1 6 . 1 1 29 29 LEU C C 29 172.425 172.425 175.672 -3.247 19693 892 1 6 . 1 1 29 29 LEU CA C 29 50.185 50.185 53.157 -2.972 19693 893 1 6 . 1 1 29 29 LEU CB C 29 37.792 37.792 44.385 -6.593 19693 894 1 6 . 1 1 29 29 LEU H H 29 8.329 8.329 8.871 -0.542 19693 895 1 6 . 1 1 30 30 CYS N N 30 125.083 125.083 118.076 7.007 19693 896 1 6 . 1 1 30 30 CYS HA H 30 5.287 5.287 4.887 0.400 19693 897 1 6 . 1 1 30 30 CYS C C 30 172.146 172.146 172.655 -0.509 19693 898 1 6 . 1 1 30 30 CYS CA C 30 50.276 50.276 56.319 -6.043 19693 899 1 6 . 1 1 30 30 CYS CB C 30 39.605 39.605 29.320 10.285 19693 900 1 6 . 1 1 30 30 CYS H H 30 8.786 8.786 8.104 0.682 19693 901 1 6 . 1 1 31 31 CYS N N 31 120.846 120.846 122.535 -1.689 19693 902 1 6 . 1 1 31 31 CYS HA H 31 5.666 5.666 4.958 0.708 19693 903 1 6 . 1 1 31 31 CYS C C 31 171.511 171.511 173.525 -2.014 19693 904 1 6 . 1 1 31 31 CYS CA C 31 53.018 53.018 58.144 -5.126 19693 905 1 6 . 1 1 31 31 CYS CB C 31 46.072 46.072 30.639 15.433 19693 906 1 6 . 1 1 31 31 CYS H H 31 8.954 8.954 8.582 0.372 19693 907 1 7 . 1 1 2 2 THR N N 2 115.586 115.586 120.821 -5.235 19693 908 1 7 . 1 1 2 2 THR HA H 2 4.571 4.571 4.774 -0.203 19693 909 1 7 . 1 1 2 2 THR C C 2 170.749 170.749 173.572 -2.823 19693 910 1 7 . 1 1 2 2 THR CA C 2 59.977 59.977 62.032 -2.055 19693 911 1 7 . 1 1 2 2 THR CB C 2 68.060 68.060 69.212 -1.152 19693 912 1 7 . 1 1 2 2 THR H H 2 8.365 8.365 8.763 -0.398 19693 913 1 7 . 1 1 3 3 CYS N N 3 122.021 122.021 125.992 -3.971 19693 914 1 7 . 1 1 3 3 CYS HA H 3 5.529 5.529 5.184 0.345 19693 915 1 7 . 1 1 3 3 CYS C C 3 168.490 168.490 173.826 -5.336 19693 916 1 7 . 1 1 3 3 CYS CA C 3 52.424 52.424 57.324 -4.900 19693 917 1 7 . 1 1 3 3 CYS CB C 3 47.514 47.514 30.744 16.770 19693 918 1 7 . 1 1 3 3 CYS H H 3 8.279 8.279 9.045 -0.766 19693 919 1 7 . 1 1 4 4 TYR N N 4 117.786 117.786 118.283 -0.497 19693 920 1 7 . 1 1 4 4 TYR HA H 4 4.736 4.736 4.813 -0.077 19693 921 1 7 . 1 1 4 4 TYR C C 4 172.133 172.133 173.446 -1.313 19693 922 1 7 . 1 1 4 4 TYR CA C 4 53.772 53.772 56.602 -2.830 19693 923 1 7 . 1 1 4 4 TYR CB C 4 39.602 39.602 38.966 0.636 19693 924 1 7 . 1 1 4 4 TYR H H 4 8.632 8.632 8.251 0.381 19693 925 1 7 . 1 1 5 5 CYS N N 5 118.451 118.451 122.785 -4.334 19693 926 1 7 . 1 1 5 5 CYS HA H 5 5.397 5.397 5.301 0.096 19693 927 1 7 . 1 1 5 5 CYS C C 5 171.739 171.739 174.860 -3.121 19693 928 1 7 . 1 1 5 5 CYS CA C 5 53.833 53.833 57.847 -4.014 19693 929 1 7 . 1 1 5 5 CYS CB C 5 41.545 41.545 26.537 15.008 19693 930 1 7 . 1 1 5 5 CYS H H 5 8.902 8.902 8.757 0.145 19693 931 1 7 . 1 1 6 6 ARG N N 6 123.236 123.236 126.315 -3.079 19693 932 1 7 . 1 1 6 6 ARG HA H 6 5.018 5.018 5.060 -0.042 19693 933 1 7 . 1 1 6 6 ARG C C 6 172.945 172.945 176.371 -3.426 19693 934 1 7 . 1 1 6 6 ARG CA C 6 51.799 51.799 54.911 -3.112 19693 935 1 7 . 1 1 6 6 ARG CB C 6 30.528 30.528 32.532 -2.003 19693 936 1 7 . 1 1 6 6 ARG H H 6 9.615 9.615 9.067 0.548 19693 937 1 7 . 1 1 7 7 THR N N 7 113.052 113.052 111.991 1.061 19693 938 1 7 . 1 1 7 7 THR HA H 7 4.349 4.349 4.693 -0.344 19693 939 1 7 . 1 1 7 7 THR C C 7 173.351 173.351 174.923 -1.572 19693 940 1 7 . 1 1 7 7 THR CA C 7 59.780 59.780 62.489 -2.709 19693 941 1 7 . 1 1 7 7 THR CB C 7 66.445 66.445 69.662 -3.217 19693 942 1 7 . 1 1 7 7 THR H H 7 8.713 8.713 8.661 0.052 19693 943 1 7 . 1 1 8 8 GLY N N 8 111.886 111.886 109.597 2.289 19693 944 1 7 . 1 1 8 8 GLY C C 8 169.531 169.531 172.998 -3.467 19693 945 1 7 . 1 1 8 8 GLY CA C 8 41.730 41.730 43.852 -2.122 19693 946 1 7 . 1 1 8 8 GLY H H 8 7.884 7.884 7.976 -0.092 19693 947 1 7 . 1 1 9 9 ARG N N 9 117.348 117.348 118.176 -0.828 19693 948 1 7 . 1 1 9 9 ARG HA H 9 4.137 4.137 4.368 -0.231 19693 949 1 7 . 1 1 9 9 ARG C C 9 174.633 174.633 175.515 -0.882 19693 950 1 7 . 1 1 9 9 ARG CA C 9 53.246 53.246 55.615 -2.369 19693 951 1 7 . 1 1 9 9 ARG CB C 9 28.531 28.531 30.598 -2.067 19693 952 1 7 . 1 1 9 9 ARG H H 9 8.031 8.031 8.370 -0.339 19693 953 1 7 . 1 1 10 10 CYS N N 10 117.348 117.348 112.603 4.745 19693 954 1 7 . 1 1 10 10 CYS HA H 10 4.714 4.714 5.082 -0.368 19693 955 1 7 . 1 1 10 10 CYS C C 10 172.334 172.334 175.769 -3.435 19693 956 1 7 . 1 1 10 10 CYS CA C 10 50.246 50.246 56.642 -6.396 19693 957 1 7 . 1 1 10 10 CYS CB C 10 33.460 33.460 30.587 2.873 19693 958 1 7 . 1 1 10 10 CYS H H 10 8.583 8.583 8.254 0.329 19693 959 1 7 . 1 1 11 11 ALA HA H 11 4.296 4.296 4.046 0.250 19693 960 1 7 . 1 1 11 11 ALA CA C 11 49.629 49.629 54.977 -5.348 19693 961 1 7 . 1 1 11 11 ALA CB C 11 16.647 16.647 18.952 -2.305 19693 962 1 7 . 1 1 12 12 THR CB C 12 67.089 67.089 68.417 -1.328 19693 963 1 7 . 1 1 13 13 ARG HA H 13 4.073 4.073 4.325 -0.252 19693 964 1 7 . 1 1 13 13 ARG CA C 13 55.450 55.450 57.013 -1.563 19693 965 1 7 . 1 1 13 13 ARG CB C 13 25.699 25.699 30.774 -5.075 19693 966 1 7 . 1 1 15 15 SER HA H 15 4.692 4.692 4.458 0.234 19693 967 1 7 . 1 1 15 15 SER CB C 15 62.241 62.241 63.514 -1.273 19693 968 1 7 . 1 1 16 16 LEU HA H 16 4.760 4.760 4.498 0.262 19693 969 1 7 . 1 1 16 16 LEU C C 16 175.052 175.052 177.006 -1.954 19693 970 1 7 . 1 1 16 16 LEU CA C 16 54.175 54.175 55.860 -1.685 19693 971 1 7 . 1 1 16 16 LEU CB C 16 38.191 38.191 42.322 -4.131 19693 972 1 7 . 1 1 17 17 SER N N 17 124.162 124.162 121.932 2.230 19693 973 1 7 . 1 1 17 17 SER HA H 17 5.001 5.001 4.724 0.277 19693 974 1 7 . 1 1 17 17 SER C C 17 169.036 169.036 174.978 -5.942 19693 975 1 7 . 1 1 17 17 SER CA C 17 55.531 55.531 58.010 -2.479 19693 976 1 7 . 1 1 17 17 SER CB C 17 63.316 63.316 64.704 -1.389 19693 977 1 7 . 1 1 17 17 SER H H 17 9.441 9.441 9.262 0.179 19693 978 1 7 . 1 1 18 18 GLY N N 18 108.239 108.239 109.567 -1.328 19693 979 1 7 . 1 1 18 18 GLY C C 18 168.084 168.084 171.777 -3.693 19693 980 1 7 . 1 1 18 18 GLY CA C 18 41.868 41.868 45.422 -3.554 19693 981 1 7 . 1 1 18 18 GLY H H 18 7.359 7.359 7.500 -0.141 19693 982 1 7 . 1 1 19 19 VAL N N 19 112.833 112.833 114.755 -1.922 19693 983 1 7 . 1 1 19 19 VAL HA H 19 5.134 5.134 5.400 -0.266 19693 984 1 7 . 1 1 19 19 VAL C C 19 172.336 172.336 174.712 -2.376 19693 985 1 7 . 1 1 19 19 VAL CA C 19 57.390 57.390 59.219 -1.829 19693 986 1 7 . 1 1 19 19 VAL CB C 19 33.578 33.578 35.890 -2.312 19693 987 1 7 . 1 1 19 19 VAL H H 19 8.303 8.303 8.426 -0.123 19693 988 1 7 . 1 1 20 20 CYS N N 20 120.436 120.436 119.255 1.181 19693 989 1 7 . 1 1 20 20 CYS HA H 20 4.884 4.884 4.903 -0.019 19693 990 1 7 . 1 1 20 20 CYS C C 20 169.569 169.569 173.757 -4.188 19693 991 1 7 . 1 1 20 20 CYS CA C 20 51.297 51.297 57.676 -6.379 19693 992 1 7 . 1 1 20 20 CYS CB C 20 42.803 42.803 29.404 13.399 19693 993 1 7 . 1 1 20 20 CYS H H 20 9.245 9.245 9.351 -0.106 19693 994 1 7 . 1 1 21 21 GLU N N 21 128.078 128.078 125.897 2.181 19693 995 1 7 . 1 1 21 21 GLU HA H 21 5.183 5.183 4.854 0.329 19693 996 1 7 . 1 1 21 21 GLU C C 21 172.311 172.311 175.889 -3.578 19693 997 1 7 . 1 1 21 21 GLU CA C 21 52.216 52.216 56.345 -4.129 19693 998 1 7 . 1 1 21 21 GLU CB C 21 25.376 25.376 30.160 -4.785 19693 999 1 7 . 1 1 21 21 GLU H H 21 8.981 8.981 8.767 0.214 19693 1000 1 7 . 1 1 22 22 ILE N N 22 127.676 127.676 128.922 -1.246 19693 1001 1 7 . 1 1 22 22 ILE HA H 22 4.245 4.245 4.565 -0.320 19693 1002 1 7 . 1 1 22 22 ILE C C 22 173.339 173.339 176.132 -2.793 19693 1003 1 7 . 1 1 22 22 ILE CA C 22 58.037 58.037 60.707 -2.670 19693 1004 1 7 . 1 1 22 22 ILE CB C 22 38.309 38.309 40.355 -2.046 19693 1005 1 7 . 1 1 22 22 ILE H H 22 8.884 8.884 8.926 -0.042 19693 1006 1 7 . 1 1 23 23 SER N N 23 123.963 123.963 123.334 0.629 19693 1007 1 7 . 1 1 23 23 SER HA H 23 4.016 4.016 4.149 -0.133 19693 1008 1 7 . 1 1 23 23 SER C C 23 172.285 172.285 175.047 -2.762 19693 1009 1 7 . 1 1 23 23 SER CA C 23 56.097 56.097 59.177 -3.080 19693 1010 1 7 . 1 1 23 23 SER CB C 23 59.837 59.837 61.087 -1.250 19693 1011 1 7 . 1 1 23 23 SER H H 23 9.442 9.442 9.232 0.210 19693 1012 1 7 . 1 1 24 24 GLY N N 24 104.009 104.009 106.670 -2.661 19693 1013 1 7 . 1 1 24 24 GLY C C 24 170.889 170.889 173.634 -2.745 19693 1014 1 7 . 1 1 24 24 GLY CA C 24 42.608 42.608 45.019 -2.411 19693 1015 1 7 . 1 1 24 24 GLY H H 24 8.570 8.570 8.541 0.029 19693 1016 1 7 . 1 1 25 25 ARG N N 25 120.867 120.867 121.644 -0.777 19693 1017 1 7 . 1 1 25 25 ARG HA H 25 4.513 4.513 4.506 0.007 19693 1018 1 7 . 1 1 25 25 ARG C C 25 170.369 170.369 174.465 -4.096 19693 1019 1 7 . 1 1 25 25 ARG CA C 25 51.617 51.617 55.017 -3.400 19693 1020 1 7 . 1 1 25 25 ARG CB C 25 30.201 30.201 31.624 -1.423 19693 1021 1 7 . 1 1 25 25 ARG H H 25 7.822 7.822 7.839 -0.017 19693 1022 1 7 . 1 1 26 26 LEU N N 26 123.477 123.477 127.359 -3.882 19693 1023 1 7 . 1 1 26 26 LEU HA H 26 4.565 4.565 4.468 0.097 19693 1024 1 7 . 1 1 26 26 LEU C C 26 173.212 173.212 175.179 -1.967 19693 1025 1 7 . 1 1 26 26 LEU CA C 26 51.739 51.739 53.355 -1.616 19693 1026 1 7 . 1 1 26 26 LEU CB C 26 40.261 40.261 42.648 -2.387 19693 1027 1 7 . 1 1 26 26 LEU H H 26 8.091 8.091 8.514 -0.423 19693 1028 1 7 . 1 1 27 27 TYR N N 27 124.804 124.804 126.695 -1.891 19693 1029 1 7 . 1 1 27 27 TYR HA H 27 4.460 4.460 5.178 -0.718 19693 1030 1 7 . 1 1 27 27 TYR C C 27 172.476 172.476 175.459 -2.983 19693 1031 1 7 . 1 1 27 27 TYR CA C 27 54.890 54.890 57.082 -2.192 19693 1032 1 7 . 1 1 27 27 TYR CB C 27 37.029 37.029 39.506 -2.477 19693 1033 1 7 . 1 1 27 27 TYR H H 27 9.031 9.031 8.830 0.201 19693 1034 1 7 . 1 1 28 28 ARG N N 28 123.114 123.114 123.011 0.103 19693 1035 1 7 . 1 1 28 28 ARG HA H 28 4.383 4.383 4.965 -0.582 19693 1036 1 7 . 1 1 28 28 ARG C C 28 171.981 171.981 174.882 -2.901 19693 1037 1 7 . 1 1 28 28 ARG CA C 28 53.833 53.833 54.940 -1.107 19693 1038 1 7 . 1 1 28 28 ARG CB C 28 28.603 28.603 33.264 -4.661 19693 1039 1 7 . 1 1 28 28 ARG H H 28 9.196 9.196 9.334 -0.138 19693 1040 1 7 . 1 1 29 29 LEU N N 29 120.619 120.619 122.804 -2.185 19693 1041 1 7 . 1 1 29 29 LEU HA H 29 4.982 4.982 5.267 -0.285 19693 1042 1 7 . 1 1 29 29 LEU C C 29 172.425 172.425 175.628 -3.203 19693 1043 1 7 . 1 1 29 29 LEU CA C 29 50.185 50.185 53.195 -3.010 19693 1044 1 7 . 1 1 29 29 LEU CB C 29 37.792 37.792 43.879 -6.087 19693 1045 1 7 . 1 1 29 29 LEU H H 29 8.329 8.329 8.954 -0.625 19693 1046 1 7 . 1 1 30 30 CYS N N 30 125.083 125.083 118.898 6.185 19693 1047 1 7 . 1 1 30 30 CYS HA H 30 5.287 5.287 5.354 -0.067 19693 1048 1 7 . 1 1 30 30 CYS C C 30 172.146 172.146 173.223 -1.077 19693 1049 1 7 . 1 1 30 30 CYS CA C 30 50.276 50.276 55.981 -5.705 19693 1050 1 7 . 1 1 30 30 CYS CB C 30 39.605 39.605 29.178 10.427 19693 1051 1 7 . 1 1 30 30 CYS H H 30 8.786 8.786 8.117 0.669 19693 1052 1 7 . 1 1 31 31 CYS N N 31 120.846 120.846 123.771 -2.925 19693 1053 1 7 . 1 1 31 31 CYS HA H 31 5.666 5.666 5.159 0.507 19693 1054 1 7 . 1 1 31 31 CYS C C 31 171.511 171.511 173.223 -1.712 19693 1055 1 7 . 1 1 31 31 CYS CA C 31 53.018 53.018 57.970 -4.952 19693 1056 1 7 . 1 1 31 31 CYS CB C 31 46.072 46.072 31.022 15.050 19693 1057 1 7 . 1 1 31 31 CYS H H 31 8.954 8.954 8.527 0.427 19693 1058 1 8 . 1 1 2 2 THR N N 2 115.586 115.586 120.590 -5.004 19693 1059 1 8 . 1 1 2 2 THR HA H 2 4.571 4.571 4.701 -0.130 19693 1060 1 8 . 1 1 2 2 THR C C 2 170.749 170.749 173.616 -2.867 19693 1061 1 8 . 1 1 2 2 THR CA C 2 59.977 59.977 62.204 -2.227 19693 1062 1 8 . 1 1 2 2 THR CB C 2 68.060 68.060 68.456 -0.396 19693 1063 1 8 . 1 1 2 2 THR H H 2 8.365 8.365 8.632 -0.267 19693 1064 1 8 . 1 1 3 3 CYS N N 3 122.021 122.021 125.794 -3.773 19693 1065 1 8 . 1 1 3 3 CYS HA H 3 5.529 5.529 4.781 0.748 19693 1066 1 8 . 1 1 3 3 CYS C C 3 168.490 168.490 173.855 -5.365 19693 1067 1 8 . 1 1 3 3 CYS CA C 3 52.424 52.424 57.284 -4.860 19693 1068 1 8 . 1 1 3 3 CYS CB C 3 47.514 47.514 31.340 16.174 19693 1069 1 8 . 1 1 3 3 CYS H H 3 8.279 8.279 8.862 -0.583 19693 1070 1 8 . 1 1 4 4 TYR N N 4 117.786 117.786 116.444 1.342 19693 1071 1 8 . 1 1 4 4 TYR HA H 4 4.736 4.736 4.803 -0.067 19693 1072 1 8 . 1 1 4 4 TYR C C 4 172.133 172.133 173.303 -1.170 19693 1073 1 8 . 1 1 4 4 TYR CA C 4 53.772 53.772 56.529 -2.757 19693 1074 1 8 . 1 1 4 4 TYR CB C 4 39.602 39.602 38.810 0.792 19693 1075 1 8 . 1 1 4 4 TYR H H 4 8.632 8.632 8.167 0.465 19693 1076 1 8 . 1 1 5 5 CYS N N 5 118.451 118.451 121.937 -3.486 19693 1077 1 8 . 1 1 5 5 CYS HA H 5 5.397 5.397 5.338 0.059 19693 1078 1 8 . 1 1 5 5 CYS C C 5 171.739 171.739 174.781 -3.042 19693 1079 1 8 . 1 1 5 5 CYS CA C 5 53.833 53.833 58.347 -4.514 19693 1080 1 8 . 1 1 5 5 CYS CB C 5 41.545 41.545 26.768 14.777 19693 1081 1 8 . 1 1 5 5 CYS H H 5 8.902 8.902 8.554 0.348 19693 1082 1 8 . 1 1 6 6 ARG N N 6 123.236 123.236 124.776 -1.540 19693 1083 1 8 . 1 1 6 6 ARG HA H 6 5.018 5.018 4.959 0.059 19693 1084 1 8 . 1 1 6 6 ARG C C 6 172.945 172.945 176.530 -3.585 19693 1085 1 8 . 1 1 6 6 ARG CA C 6 51.799 51.799 54.533 -2.734 19693 1086 1 8 . 1 1 6 6 ARG CB C 6 30.528 30.528 31.705 -1.177 19693 1087 1 8 . 1 1 6 6 ARG H H 6 9.615 9.615 9.272 0.343 19693 1088 1 8 . 1 1 7 7 THR N N 7 113.052 113.052 113.430 -0.378 19693 1089 1 8 . 1 1 7 7 THR HA H 7 4.349 4.349 4.659 -0.310 19693 1090 1 8 . 1 1 7 7 THR C C 7 173.351 173.351 175.165 -1.814 19693 1091 1 8 . 1 1 7 7 THR CA C 7 59.780 59.780 62.971 -3.191 19693 1092 1 8 . 1 1 7 7 THR CB C 7 66.445 66.445 69.120 -2.675 19693 1093 1 8 . 1 1 7 7 THR H H 7 8.713 8.713 8.621 0.092 19693 1094 1 8 . 1 1 8 8 GLY N N 8 111.886 111.886 109.407 2.479 19693 1095 1 8 . 1 1 8 8 GLY C C 8 169.531 169.531 172.706 -3.175 19693 1096 1 8 . 1 1 8 8 GLY CA C 8 41.730 41.730 44.232 -2.502 19693 1097 1 8 . 1 1 8 8 GLY H H 8 7.884 7.884 8.132 -0.248 19693 1098 1 8 . 1 1 9 9 ARG N N 9 117.348 117.348 118.565 -1.217 19693 1099 1 8 . 1 1 9 9 ARG HA H 9 4.137 4.137 4.668 -0.531 19693 1100 1 8 . 1 1 9 9 ARG C C 9 174.633 174.633 173.780 0.853 19693 1101 1 8 . 1 1 9 9 ARG CA C 9 53.246 53.246 55.036 -1.790 19693 1102 1 8 . 1 1 9 9 ARG CB C 9 28.531 28.531 32.007 -3.475 19693 1103 1 8 . 1 1 9 9 ARG H H 9 8.031 8.031 8.078 -0.047 19693 1104 1 8 . 1 1 10 10 CYS N N 10 117.348 117.348 112.864 4.484 19693 1105 1 8 . 1 1 10 10 CYS HA H 10 4.714 4.714 5.084 -0.370 19693 1106 1 8 . 1 1 10 10 CYS C C 10 172.334 172.334 176.090 -3.756 19693 1107 1 8 . 1 1 10 10 CYS CA C 10 50.246 50.246 56.485 -6.239 19693 1108 1 8 . 1 1 10 10 CYS CB C 10 33.460 33.460 31.257 2.203 19693 1109 1 8 . 1 1 10 10 CYS H H 10 8.583 8.583 8.041 0.542 19693 1110 1 8 . 1 1 11 11 ALA HA H 11 4.296 4.296 4.136 0.160 19693 1111 1 8 . 1 1 11 11 ALA CA C 11 49.629 49.629 54.923 -5.294 19693 1112 1 8 . 1 1 11 11 ALA CB C 11 16.647 16.647 18.831 -2.184 19693 1113 1 8 . 1 1 12 12 THR CB C 12 67.089 67.089 68.500 -1.411 19693 1114 1 8 . 1 1 13 13 ARG HA H 13 4.073 4.073 3.957 0.116 19693 1115 1 8 . 1 1 13 13 ARG CA C 13 55.450 55.450 59.949 -4.499 19693 1116 1 8 . 1 1 13 13 ARG CB C 13 25.699 25.699 29.999 -4.300 19693 1117 1 8 . 1 1 15 15 SER HA H 15 4.692 4.692 4.432 0.260 19693 1118 1 8 . 1 1 15 15 SER CB C 15 62.241 62.241 62.459 -0.218 19693 1119 1 8 . 1 1 16 16 LEU HA H 16 4.760 4.760 4.676 0.084 19693 1120 1 8 . 1 1 16 16 LEU C C 16 175.052 175.052 177.166 -2.114 19693 1121 1 8 . 1 1 16 16 LEU CA C 16 54.175 54.175 55.351 -1.176 19693 1122 1 8 . 1 1 16 16 LEU CB C 16 38.191 38.191 42.346 -4.155 19693 1123 1 8 . 1 1 17 17 SER N N 17 124.162 124.162 121.528 2.634 19693 1124 1 8 . 1 1 17 17 SER HA H 17 5.001 5.001 4.751 0.250 19693 1125 1 8 . 1 1 17 17 SER C C 17 169.036 169.036 174.800 -5.764 19693 1126 1 8 . 1 1 17 17 SER CA C 17 55.531 55.531 57.844 -2.313 19693 1127 1 8 . 1 1 17 17 SER CB C 17 63.316 63.316 64.719 -1.403 19693 1128 1 8 . 1 1 17 17 SER H H 17 9.441 9.441 9.252 0.189 19693 1129 1 8 . 1 1 18 18 GLY N N 18 108.239 108.239 109.594 -1.355 19693 1130 1 8 . 1 1 18 18 GLY C C 18 168.084 168.084 171.710 -3.626 19693 1131 1 8 . 1 1 18 18 GLY CA C 18 41.868 41.868 45.681 -3.813 19693 1132 1 8 . 1 1 18 18 GLY H H 18 7.359 7.359 7.503 -0.144 19693 1133 1 8 . 1 1 19 19 VAL N N 19 112.833 112.833 116.048 -3.215 19693 1134 1 8 . 1 1 19 19 VAL HA H 19 5.134 5.134 5.412 -0.278 19693 1135 1 8 . 1 1 19 19 VAL C C 19 172.336 172.336 175.024 -2.688 19693 1136 1 8 . 1 1 19 19 VAL CA C 19 57.390 57.390 59.792 -2.402 19693 1137 1 8 . 1 1 19 19 VAL CB C 19 33.578 33.578 35.488 -1.910 19693 1138 1 8 . 1 1 19 19 VAL H H 19 8.303 8.303 8.364 -0.061 19693 1139 1 8 . 1 1 20 20 CYS N N 20 120.436 120.436 122.752 -2.316 19693 1140 1 8 . 1 1 20 20 CYS HA H 20 4.884 4.884 4.876 0.008 19693 1141 1 8 . 1 1 20 20 CYS C C 20 169.569 169.569 174.368 -4.799 19693 1142 1 8 . 1 1 20 20 CYS CA C 20 51.297 51.297 57.614 -6.317 19693 1143 1 8 . 1 1 20 20 CYS CB C 20 42.803 42.803 28.988 13.816 19693 1144 1 8 . 1 1 20 20 CYS H H 20 9.245 9.245 9.183 0.062 19693 1145 1 8 . 1 1 21 21 GLU N N 21 128.078 128.078 126.456 1.622 19693 1146 1 8 . 1 1 21 21 GLU HA H 21 5.183 5.183 4.944 0.239 19693 1147 1 8 . 1 1 21 21 GLU C C 21 172.311 172.311 175.618 -3.307 19693 1148 1 8 . 1 1 21 21 GLU CA C 21 52.216 52.216 56.198 -3.982 19693 1149 1 8 . 1 1 21 21 GLU CB C 21 25.376 25.376 29.948 -4.572 19693 1150 1 8 . 1 1 21 21 GLU H H 21 8.981 8.981 8.718 0.263 19693 1151 1 8 . 1 1 22 22 ILE N N 22 127.676 127.676 128.284 -0.608 19693 1152 1 8 . 1 1 22 22 ILE HA H 22 4.245 4.245 4.502 -0.257 19693 1153 1 8 . 1 1 22 22 ILE C C 22 173.339 173.339 176.122 -2.783 19693 1154 1 8 . 1 1 22 22 ILE CA C 22 58.037 58.037 60.707 -2.670 19693 1155 1 8 . 1 1 22 22 ILE CB C 22 38.309 38.309 40.088 -1.779 19693 1156 1 8 . 1 1 22 22 ILE H H 22 8.884 8.884 9.149 -0.265 19693 1157 1 8 . 1 1 23 23 SER N N 23 123.963 123.963 123.064 0.899 19693 1158 1 8 . 1 1 23 23 SER HA H 23 4.016 4.016 4.137 -0.121 19693 1159 1 8 . 1 1 23 23 SER C C 23 172.285 172.285 175.077 -2.792 19693 1160 1 8 . 1 1 23 23 SER CA C 23 56.097 56.097 59.464 -3.367 19693 1161 1 8 . 1 1 23 23 SER CB C 23 59.837 59.837 61.737 -1.900 19693 1162 1 8 . 1 1 23 23 SER H H 23 9.442 9.442 9.412 0.030 19693 1163 1 8 . 1 1 24 24 GLY N N 24 104.009 104.009 105.969 -1.960 19693 1164 1 8 . 1 1 24 24 GLY C C 24 170.889 170.889 173.697 -2.808 19693 1165 1 8 . 1 1 24 24 GLY CA C 24 42.608 42.608 44.857 -2.249 19693 1166 1 8 . 1 1 24 24 GLY H H 24 8.570 8.570 8.309 0.261 19693 1167 1 8 . 1 1 25 25 ARG N N 25 120.867 120.867 120.825 0.042 19693 1168 1 8 . 1 1 25 25 ARG HA H 25 4.513 4.513 4.628 -0.115 19693 1169 1 8 . 1 1 25 25 ARG C C 25 170.369 170.369 174.300 -3.931 19693 1170 1 8 . 1 1 25 25 ARG CA C 25 51.617 51.617 54.966 -3.349 19693 1171 1 8 . 1 1 25 25 ARG CB C 25 30.201 30.201 32.063 -1.862 19693 1172 1 8 . 1 1 25 25 ARG H H 25 7.822 7.822 8.077 -0.255 19693 1173 1 8 . 1 1 26 26 LEU N N 26 123.477 123.477 126.525 -3.048 19693 1174 1 8 . 1 1 26 26 LEU HA H 26 4.565 4.565 4.435 0.130 19693 1175 1 8 . 1 1 26 26 LEU C C 26 173.212 173.212 174.983 -1.771 19693 1176 1 8 . 1 1 26 26 LEU CA C 26 51.739 51.739 53.594 -1.855 19693 1177 1 8 . 1 1 26 26 LEU CB C 26 40.261 40.261 42.685 -2.424 19693 1178 1 8 . 1 1 26 26 LEU H H 26 8.091 8.091 8.592 -0.501 19693 1179 1 8 . 1 1 27 27 TYR N N 27 124.804 124.804 126.853 -2.049 19693 1180 1 8 . 1 1 27 27 TYR HA H 27 4.460 4.460 4.903 -0.443 19693 1181 1 8 . 1 1 27 27 TYR C C 27 172.476 172.476 175.141 -2.665 19693 1182 1 8 . 1 1 27 27 TYR CA C 27 54.890 54.890 57.235 -2.345 19693 1183 1 8 . 1 1 27 27 TYR CB C 27 37.029 37.029 39.065 -2.036 19693 1184 1 8 . 1 1 27 27 TYR H H 27 9.031 9.031 9.159 -0.128 19693 1185 1 8 . 1 1 28 28 ARG N N 28 123.114 123.114 123.457 -0.343 19693 1186 1 8 . 1 1 28 28 ARG HA H 28 4.383 4.383 5.001 -0.618 19693 1187 1 8 . 1 1 28 28 ARG C C 28 171.981 171.981 175.252 -3.271 19693 1188 1 8 . 1 1 28 28 ARG CA C 28 53.833 53.833 55.096 -1.263 19693 1189 1 8 . 1 1 28 28 ARG CB C 28 28.603 28.603 32.658 -4.055 19693 1190 1 8 . 1 1 28 28 ARG H H 28 9.196 9.196 9.328 -0.132 19693 1191 1 8 . 1 1 29 29 LEU N N 29 120.619 120.619 123.557 -2.938 19693 1192 1 8 . 1 1 29 29 LEU HA H 29 4.982 4.982 5.283 -0.301 19693 1193 1 8 . 1 1 29 29 LEU C C 29 172.425 172.425 175.870 -3.445 19693 1194 1 8 . 1 1 29 29 LEU CA C 29 50.185 50.185 53.438 -3.253 19693 1195 1 8 . 1 1 29 29 LEU CB C 29 37.792 37.792 43.623 -5.831 19693 1196 1 8 . 1 1 29 29 LEU H H 29 8.329 8.329 9.024 -0.695 19693 1197 1 8 . 1 1 30 30 CYS N N 30 125.083 125.083 118.078 7.005 19693 1198 1 8 . 1 1 30 30 CYS HA H 30 5.287 5.287 5.527 -0.240 19693 1199 1 8 . 1 1 30 30 CYS C C 30 172.146 172.146 173.418 -1.272 19693 1200 1 8 . 1 1 30 30 CYS CA C 30 50.276 50.276 55.986 -5.710 19693 1201 1 8 . 1 1 30 30 CYS CB C 30 39.605 39.605 29.335 10.270 19693 1202 1 8 . 1 1 30 30 CYS H H 30 8.786 8.786 8.236 0.550 19693 1203 1 8 . 1 1 31 31 CYS N N 31 120.846 120.846 121.453 -0.607 19693 1204 1 8 . 1 1 31 31 CYS HA H 31 5.666 5.666 4.619 1.047 19693 1205 1 8 . 1 1 31 31 CYS C C 31 171.511 171.511 173.673 -2.162 19693 1206 1 8 . 1 1 31 31 CYS CA C 31 53.018 53.018 57.821 -4.803 19693 1207 1 8 . 1 1 31 31 CYS CB C 31 46.072 46.072 30.530 15.542 19693 1208 1 8 . 1 1 31 31 CYS H H 31 8.954 8.954 8.514 0.440 19693 1209 1 9 . 1 1 2 2 THR N N 2 115.586 115.586 118.299 -2.713 19693 1210 1 9 . 1 1 2 2 THR HA H 2 4.571 4.571 4.721 -0.150 19693 1211 1 9 . 1 1 2 2 THR C C 2 170.749 170.749 173.522 -2.773 19693 1212 1 9 . 1 1 2 2 THR CA C 2 59.977 59.977 62.301 -2.324 19693 1213 1 9 . 1 1 2 2 THR CB C 2 68.060 68.060 69.257 -1.197 19693 1214 1 9 . 1 1 2 2 THR H H 2 8.365 8.365 8.514 -0.149 19693 1215 1 9 . 1 1 3 3 CYS N N 3 122.021 122.021 125.232 -3.211 19693 1216 1 9 . 1 1 3 3 CYS HA H 3 5.529 5.529 5.404 0.125 19693 1217 1 9 . 1 1 3 3 CYS C C 3 168.490 168.490 173.661 -5.171 19693 1218 1 9 . 1 1 3 3 CYS CA C 3 52.424 52.424 57.230 -4.806 19693 1219 1 9 . 1 1 3 3 CYS CB C 3 47.514 47.514 31.242 16.271 19693 1220 1 9 . 1 1 3 3 CYS H H 3 8.279 8.279 9.003 -0.724 19693 1221 1 9 . 1 1 4 4 TYR N N 4 117.786 117.786 118.138 -0.352 19693 1222 1 9 . 1 1 4 4 TYR HA H 4 4.736 4.736 4.893 -0.157 19693 1223 1 9 . 1 1 4 4 TYR C C 4 172.133 172.133 173.224 -1.091 19693 1224 1 9 . 1 1 4 4 TYR CA C 4 53.772 53.772 56.418 -2.646 19693 1225 1 9 . 1 1 4 4 TYR CB C 4 39.602 39.602 39.249 0.353 19693 1226 1 9 . 1 1 4 4 TYR H H 4 8.632 8.632 8.825 -0.193 19693 1227 1 9 . 1 1 5 5 CYS N N 5 118.451 118.451 121.670 -3.219 19693 1228 1 9 . 1 1 5 5 CYS HA H 5 5.397 5.397 5.439 -0.042 19693 1229 1 9 . 1 1 5 5 CYS C C 5 171.739 171.739 174.704 -2.965 19693 1230 1 9 . 1 1 5 5 CYS CA C 5 53.833 53.833 58.343 -4.510 19693 1231 1 9 . 1 1 5 5 CYS CB C 5 41.545 41.545 27.100 14.445 19693 1232 1 9 . 1 1 5 5 CYS H H 5 8.902 8.902 8.564 0.338 19693 1233 1 9 . 1 1 6 6 ARG N N 6 123.236 123.236 124.248 -1.012 19693 1234 1 9 . 1 1 6 6 ARG HA H 6 5.018 5.018 4.957 0.061 19693 1235 1 9 . 1 1 6 6 ARG C C 6 172.945 172.945 176.518 -3.573 19693 1236 1 9 . 1 1 6 6 ARG CA C 6 51.799 51.799 54.389 -2.590 19693 1237 1 9 . 1 1 6 6 ARG CB C 6 30.528 30.528 31.675 -1.147 19693 1238 1 9 . 1 1 6 6 ARG H H 6 9.615 9.615 9.223 0.392 19693 1239 1 9 . 1 1 7 7 THR N N 7 113.052 113.052 112.840 0.212 19693 1240 1 9 . 1 1 7 7 THR HA H 7 4.349 4.349 4.613 -0.264 19693 1241 1 9 . 1 1 7 7 THR C C 7 173.351 173.351 174.975 -1.624 19693 1242 1 9 . 1 1 7 7 THR CA C 7 59.780 59.780 63.213 -3.433 19693 1243 1 9 . 1 1 7 7 THR CB C 7 66.445 66.445 69.224 -2.779 19693 1244 1 9 . 1 1 7 7 THR H H 7 8.713 8.713 8.559 0.154 19693 1245 1 9 . 1 1 8 8 GLY N N 8 111.886 111.886 108.111 3.775 19693 1246 1 9 . 1 1 8 8 GLY C C 8 169.531 169.531 172.726 -3.195 19693 1247 1 9 . 1 1 8 8 GLY CA C 8 41.730 41.730 43.632 -1.901 19693 1248 1 9 . 1 1 8 8 GLY H H 8 7.884 7.884 7.879 0.005 19693 1249 1 9 . 1 1 9 9 ARG N N 9 117.348 117.348 119.462 -2.114 19693 1250 1 9 . 1 1 9 9 ARG HA H 9 4.137 4.137 4.535 -0.398 19693 1251 1 9 . 1 1 9 9 ARG C C 9 174.633 174.633 174.979 -0.346 19693 1252 1 9 . 1 1 9 9 ARG CA C 9 53.246 53.246 55.458 -2.212 19693 1253 1 9 . 1 1 9 9 ARG CB C 9 28.531 28.531 31.851 -3.320 19693 1254 1 9 . 1 1 9 9 ARG H H 9 8.031 8.031 8.060 -0.029 19693 1255 1 9 . 1 1 10 10 CYS N N 10 117.348 117.348 114.506 2.842 19693 1256 1 9 . 1 1 10 10 CYS HA H 10 4.714 4.714 5.068 -0.354 19693 1257 1 9 . 1 1 10 10 CYS C C 10 172.334 172.334 175.602 -3.268 19693 1258 1 9 . 1 1 10 10 CYS CA C 10 50.246 50.246 55.895 -5.649 19693 1259 1 9 . 1 1 10 10 CYS CB C 10 33.460 33.460 30.361 3.099 19693 1260 1 9 . 1 1 10 10 CYS H H 10 8.583 8.583 8.124 0.459 19693 1261 1 9 . 1 1 11 11 ALA HA H 11 4.296 4.296 4.043 0.253 19693 1262 1 9 . 1 1 11 11 ALA CA C 11 49.629 49.629 54.957 -5.328 19693 1263 1 9 . 1 1 11 11 ALA CB C 11 16.647 16.647 18.964 -2.317 19693 1264 1 9 . 1 1 12 12 THR CB C 12 67.089 67.089 69.785 -2.696 19693 1265 1 9 . 1 1 13 13 ARG HA H 13 4.073 4.073 4.577 -0.504 19693 1266 1 9 . 1 1 13 13 ARG CA C 13 55.450 55.450 55.827 -0.377 19693 1267 1 9 . 1 1 13 13 ARG CB C 13 25.699 25.699 30.499 -4.800 19693 1268 1 9 . 1 1 15 15 SER HA H 15 4.692 4.692 4.630 0.062 19693 1269 1 9 . 1 1 15 15 SER CB C 15 62.241 62.241 64.559 -2.318 19693 1270 1 9 . 1 1 16 16 LEU HA H 16 4.760 4.760 5.136 -0.376 19693 1271 1 9 . 1 1 16 16 LEU C C 16 175.052 175.052 176.372 -1.320 19693 1272 1 9 . 1 1 16 16 LEU CA C 16 54.175 54.175 54.384 -0.209 19693 1273 1 9 . 1 1 16 16 LEU CB C 16 38.191 38.191 44.626 -6.435 19693 1274 1 9 . 1 1 17 17 SER N N 17 124.162 124.162 120.433 3.729 19693 1275 1 9 . 1 1 17 17 SER HA H 17 5.001 5.001 4.695 0.306 19693 1276 1 9 . 1 1 17 17 SER C C 17 169.036 169.036 174.560 -5.524 19693 1277 1 9 . 1 1 17 17 SER CA C 17 55.531 55.531 57.885 -2.354 19693 1278 1 9 . 1 1 17 17 SER CB C 17 63.316 63.316 64.192 -0.876 19693 1279 1 9 . 1 1 17 17 SER H H 17 9.441 9.441 9.323 0.118 19693 1280 1 9 . 1 1 18 18 GLY N N 18 108.239 108.239 109.799 -1.560 19693 1281 1 9 . 1 1 18 18 GLY C C 18 168.084 168.084 171.916 -3.832 19693 1282 1 9 . 1 1 18 18 GLY CA C 18 41.868 41.868 45.502 -3.634 19693 1283 1 9 . 1 1 18 18 GLY H H 18 7.359 7.359 7.483 -0.124 19693 1284 1 9 . 1 1 19 19 VAL N N 19 112.833 112.833 116.416 -3.583 19693 1285 1 9 . 1 1 19 19 VAL HA H 19 5.134 5.134 5.367 -0.233 19693 1286 1 9 . 1 1 19 19 VAL C C 19 172.336 172.336 174.774 -2.438 19693 1287 1 9 . 1 1 19 19 VAL CA C 19 57.390 57.390 59.836 -2.446 19693 1288 1 9 . 1 1 19 19 VAL CB C 19 33.578 33.578 34.643 -1.065 19693 1289 1 9 . 1 1 19 19 VAL H H 19 8.303 8.303 8.379 -0.076 19693 1290 1 9 . 1 1 20 20 CYS N N 20 120.436 120.436 122.940 -2.504 19693 1291 1 9 . 1 1 20 20 CYS HA H 20 4.884 4.884 4.903 -0.019 19693 1292 1 9 . 1 1 20 20 CYS C C 20 169.569 169.569 174.500 -4.931 19693 1293 1 9 . 1 1 20 20 CYS CA C 20 51.297 51.297 57.422 -6.125 19693 1294 1 9 . 1 1 20 20 CYS CB C 20 42.803 42.803 28.981 13.822 19693 1295 1 9 . 1 1 20 20 CYS H H 20 9.245 9.245 9.173 0.072 19693 1296 1 9 . 1 1 21 21 GLU N N 21 128.078 128.078 126.639 1.439 19693 1297 1 9 . 1 1 21 21 GLU HA H 21 5.183 5.183 4.896 0.287 19693 1298 1 9 . 1 1 21 21 GLU C C 21 172.311 172.311 175.574 -3.263 19693 1299 1 9 . 1 1 21 21 GLU CA C 21 52.216 52.216 56.259 -4.043 19693 1300 1 9 . 1 1 21 21 GLU CB C 21 25.376 25.376 29.935 -4.559 19693 1301 1 9 . 1 1 21 21 GLU H H 21 8.981 8.981 8.731 0.250 19693 1302 1 9 . 1 1 22 22 ILE N N 22 127.676 127.676 127.901 -0.225 19693 1303 1 9 . 1 1 22 22 ILE HA H 22 4.245 4.245 4.517 -0.272 19693 1304 1 9 . 1 1 22 22 ILE C C 22 173.339 173.339 176.022 -2.683 19693 1305 1 9 . 1 1 22 22 ILE CA C 22 58.037 58.037 60.673 -2.636 19693 1306 1 9 . 1 1 22 22 ILE CB C 22 38.309 38.309 40.414 -2.105 19693 1307 1 9 . 1 1 22 22 ILE H H 22 8.884 8.884 8.997 -0.113 19693 1308 1 9 . 1 1 23 23 SER N N 23 123.963 123.963 121.851 2.112 19693 1309 1 9 . 1 1 23 23 SER HA H 23 4.016 4.016 4.141 -0.125 19693 1310 1 9 . 1 1 23 23 SER C C 23 172.285 172.285 175.185 -2.900 19693 1311 1 9 . 1 1 23 23 SER CA C 23 56.097 56.097 59.535 -3.438 19693 1312 1 9 . 1 1 23 23 SER CB C 23 59.837 59.837 61.940 -2.103 19693 1313 1 9 . 1 1 23 23 SER H H 23 9.442 9.442 9.350 0.092 19693 1314 1 9 . 1 1 24 24 GLY N N 24 104.009 104.009 106.254 -2.245 19693 1315 1 9 . 1 1 24 24 GLY C C 24 170.889 170.889 173.820 -2.931 19693 1316 1 9 . 1 1 24 24 GLY CA C 24 42.608 42.608 44.754 -2.146 19693 1317 1 9 . 1 1 24 24 GLY H H 24 8.570 8.570 8.283 0.287 19693 1318 1 9 . 1 1 25 25 ARG N N 25 120.867 120.867 122.097 -1.230 19693 1319 1 9 . 1 1 25 25 ARG HA H 25 4.513 4.513 4.509 0.004 19693 1320 1 9 . 1 1 25 25 ARG C C 25 170.369 170.369 174.689 -4.320 19693 1321 1 9 . 1 1 25 25 ARG CA C 25 51.617 51.617 55.154 -3.537 19693 1322 1 9 . 1 1 25 25 ARG CB C 25 30.201 30.201 31.556 -1.355 19693 1323 1 9 . 1 1 25 25 ARG H H 25 7.822 7.822 7.814 0.008 19693 1324 1 9 . 1 1 26 26 LEU N N 26 123.477 123.477 127.072 -3.595 19693 1325 1 9 . 1 1 26 26 LEU HA H 26 4.565 4.565 4.470 0.095 19693 1326 1 9 . 1 1 26 26 LEU C C 26 173.212 173.212 175.151 -1.939 19693 1327 1 9 . 1 1 26 26 LEU CA C 26 51.739 51.739 53.559 -1.820 19693 1328 1 9 . 1 1 26 26 LEU CB C 26 40.261 40.261 42.804 -2.543 19693 1329 1 9 . 1 1 26 26 LEU H H 26 8.091 8.091 8.556 -0.465 19693 1330 1 9 . 1 1 27 27 TYR N N 27 124.804 124.804 126.909 -2.105 19693 1331 1 9 . 1 1 27 27 TYR HA H 27 4.460 4.460 4.878 -0.418 19693 1332 1 9 . 1 1 27 27 TYR C C 27 172.476 172.476 175.225 -2.749 19693 1333 1 9 . 1 1 27 27 TYR CA C 27 54.890 54.890 57.128 -2.238 19693 1334 1 9 . 1 1 27 27 TYR CB C 27 37.029 37.029 38.690 -1.661 19693 1335 1 9 . 1 1 27 27 TYR H H 27 9.031 9.031 8.941 0.090 19693 1336 1 9 . 1 1 28 28 ARG N N 28 123.114 123.114 123.383 -0.269 19693 1337 1 9 . 1 1 28 28 ARG HA H 28 4.383 4.383 5.063 -0.680 19693 1338 1 9 . 1 1 28 28 ARG C C 28 171.981 171.981 175.245 -3.264 19693 1339 1 9 . 1 1 28 28 ARG CA C 28 53.833 53.833 55.340 -1.508 19693 1340 1 9 . 1 1 28 28 ARG CB C 28 28.603 28.603 32.536 -3.933 19693 1341 1 9 . 1 1 28 28 ARG H H 28 9.196 9.196 9.235 -0.039 19693 1342 1 9 . 1 1 29 29 LEU N N 29 120.619 120.619 122.199 -1.580 19693 1343 1 9 . 1 1 29 29 LEU HA H 29 4.982 4.982 5.368 -0.386 19693 1344 1 9 . 1 1 29 29 LEU C C 29 172.425 172.425 175.967 -3.542 19693 1345 1 9 . 1 1 29 29 LEU CA C 29 50.185 50.185 53.197 -3.012 19693 1346 1 9 . 1 1 29 29 LEU CB C 29 37.792 37.792 44.600 -6.808 19693 1347 1 9 . 1 1 29 29 LEU H H 29 8.329 8.329 8.850 -0.521 19693 1348 1 9 . 1 1 30 30 CYS N N 30 125.083 125.083 116.654 8.429 19693 1349 1 9 . 1 1 30 30 CYS HA H 30 5.287 5.287 5.061 0.226 19693 1350 1 9 . 1 1 30 30 CYS C C 30 172.146 172.146 172.624 -0.478 19693 1351 1 9 . 1 1 30 30 CYS CA C 30 50.276 50.276 56.201 -5.925 19693 1352 1 9 . 1 1 30 30 CYS CB C 30 39.605 39.605 29.778 9.827 19693 1353 1 9 . 1 1 30 30 CYS H H 30 8.786 8.786 8.491 0.295 19693 1354 1 9 . 1 1 31 31 CYS N N 31 120.846 120.846 121.202 -0.356 19693 1355 1 9 . 1 1 31 31 CYS HA H 31 5.666 5.666 5.198 0.468 19693 1356 1 9 . 1 1 31 31 CYS C C 31 171.511 171.511 173.191 -1.680 19693 1357 1 9 . 1 1 31 31 CYS CA C 31 53.018 53.018 58.154 -5.136 19693 1358 1 9 . 1 1 31 31 CYS CB C 31 46.072 46.072 31.453 14.619 19693 1359 1 9 . 1 1 31 31 CYS H H 31 8.954 8.954 8.429 0.525 19693 1360 1 10 . 1 1 2 2 THR N N 2 115.586 115.586 118.215 -2.629 19693 1361 1 10 . 1 1 2 2 THR HA H 2 4.571 4.571 4.770 -0.199 19693 1362 1 10 . 1 1 2 2 THR C C 2 170.749 170.749 173.460 -2.711 19693 1363 1 10 . 1 1 2 2 THR CA C 2 59.977 59.977 62.263 -2.286 19693 1364 1 10 . 1 1 2 2 THR CB C 2 68.060 68.060 69.197 -1.137 19693 1365 1 10 . 1 1 2 2 THR H H 2 8.365 8.365 8.503 -0.138 19693 1366 1 10 . 1 1 3 3 CYS N N 3 122.021 122.021 125.098 -3.077 19693 1367 1 10 . 1 1 3 3 CYS HA H 3 5.529 5.529 5.286 0.243 19693 1368 1 10 . 1 1 3 3 CYS C C 3 168.490 168.490 173.603 -5.113 19693 1369 1 10 . 1 1 3 3 CYS CA C 3 52.424 52.424 57.239 -4.816 19693 1370 1 10 . 1 1 3 3 CYS CB C 3 47.514 47.514 31.331 16.183 19693 1371 1 10 . 1 1 3 3 CYS H H 3 8.279 8.279 8.972 -0.693 19693 1372 1 10 . 1 1 4 4 TYR N N 4 117.786 117.786 118.214 -0.428 19693 1373 1 10 . 1 1 4 4 TYR HA H 4 4.736 4.736 4.878 -0.142 19693 1374 1 10 . 1 1 4 4 TYR C C 4 172.133 172.133 173.261 -1.128 19693 1375 1 10 . 1 1 4 4 TYR CA C 4 53.772 53.772 56.306 -2.534 19693 1376 1 10 . 1 1 4 4 TYR CB C 4 39.602 39.602 39.175 0.427 19693 1377 1 10 . 1 1 4 4 TYR H H 4 8.632 8.632 8.430 0.202 19693 1378 1 10 . 1 1 5 5 CYS N N 5 118.451 118.451 121.878 -3.427 19693 1379 1 10 . 1 1 5 5 CYS HA H 5 5.397 5.397 5.228 0.169 19693 1380 1 10 . 1 1 5 5 CYS C C 5 171.739 171.739 174.736 -2.997 19693 1381 1 10 . 1 1 5 5 CYS CA C 5 53.833 53.833 58.342 -4.509 19693 1382 1 10 . 1 1 5 5 CYS CB C 5 41.545 41.545 26.542 15.003 19693 1383 1 10 . 1 1 5 5 CYS H H 5 8.902 8.902 8.611 0.291 19693 1384 1 10 . 1 1 6 6 ARG N N 6 123.236 123.236 125.691 -2.455 19693 1385 1 10 . 1 1 6 6 ARG HA H 6 5.018 5.018 4.934 0.084 19693 1386 1 10 . 1 1 6 6 ARG C C 6 172.945 172.945 176.980 -4.035 19693 1387 1 10 . 1 1 6 6 ARG CA C 6 51.799 51.799 54.231 -2.432 19693 1388 1 10 . 1 1 6 6 ARG CB C 6 30.528 30.528 31.510 -0.982 19693 1389 1 10 . 1 1 6 6 ARG H H 6 9.615 9.615 9.271 0.344 19693 1390 1 10 . 1 1 7 7 THR N N 7 113.052 113.052 114.139 -1.087 19693 1391 1 10 . 1 1 7 7 THR HA H 7 4.349 4.349 4.333 0.016 19693 1392 1 10 . 1 1 7 7 THR C C 7 173.351 173.351 174.881 -1.530 19693 1393 1 10 . 1 1 7 7 THR CA C 7 59.780 59.780 63.624 -3.844 19693 1394 1 10 . 1 1 7 7 THR CB C 7 66.445 66.445 69.004 -2.559 19693 1395 1 10 . 1 1 7 7 THR H H 7 8.713 8.713 8.802 -0.089 19693 1396 1 10 . 1 1 8 8 GLY N N 8 111.886 111.886 108.864 3.022 19693 1397 1 10 . 1 1 8 8 GLY C C 8 169.531 169.531 172.633 -3.102 19693 1398 1 10 . 1 1 8 8 GLY CA C 8 41.730 41.730 44.993 -3.263 19693 1399 1 10 . 1 1 8 8 GLY H H 8 7.884 7.884 8.346 -0.462 19693 1400 1 10 . 1 1 9 9 ARG N N 9 117.348 117.348 117.241 0.107 19693 1401 1 10 . 1 1 9 9 ARG HA H 9 4.137 4.137 4.713 -0.576 19693 1402 1 10 . 1 1 9 9 ARG C C 9 174.633 174.633 173.535 1.098 19693 1403 1 10 . 1 1 9 9 ARG CA C 9 53.246 53.246 55.144 -1.898 19693 1404 1 10 . 1 1 9 9 ARG CB C 9 28.531 28.531 32.854 -4.323 19693 1405 1 10 . 1 1 9 9 ARG H H 9 8.031 8.031 7.882 0.149 19693 1406 1 10 . 1 1 10 10 CYS N N 10 117.348 117.348 112.437 4.911 19693 1407 1 10 . 1 1 10 10 CYS HA H 10 4.714 4.714 5.054 -0.340 19693 1408 1 10 . 1 1 10 10 CYS C C 10 172.334 172.334 176.061 -3.727 19693 1409 1 10 . 1 1 10 10 CYS CA C 10 50.246 50.246 56.998 -6.752 19693 1410 1 10 . 1 1 10 10 CYS CB C 10 33.460 33.460 31.515 1.945 19693 1411 1 10 . 1 1 10 10 CYS H H 10 8.583 8.583 8.119 0.464 19693 1412 1 10 . 1 1 11 11 ALA HA H 11 4.296 4.296 4.110 0.186 19693 1413 1 10 . 1 1 11 11 ALA CA C 11 49.629 49.629 54.854 -5.225 19693 1414 1 10 . 1 1 11 11 ALA CB C 11 16.647 16.647 18.521 -1.874 19693 1415 1 10 . 1 1 12 12 THR CB C 12 67.089 67.089 68.961 -1.872 19693 1416 1 10 . 1 1 13 13 ARG HA H 13 4.073 4.073 3.853 0.220 19693 1417 1 10 . 1 1 13 13 ARG CA C 13 55.450 55.450 58.940 -3.490 19693 1418 1 10 . 1 1 13 13 ARG CB C 13 25.699 25.699 28.290 -2.591 19693 1419 1 10 . 1 1 15 15 SER HA H 15 4.692 4.692 4.364 0.328 19693 1420 1 10 . 1 1 15 15 SER CB C 15 62.241 62.241 61.996 0.245 19693 1421 1 10 . 1 1 16 16 LEU HA H 16 4.760 4.760 5.166 -0.406 19693 1422 1 10 . 1 1 16 16 LEU C C 16 175.052 175.052 176.251 -1.199 19693 1423 1 10 . 1 1 16 16 LEU CA C 16 54.175 54.175 53.965 0.210 19693 1424 1 10 . 1 1 16 16 LEU CB C 16 38.191 38.191 44.738 -6.547 19693 1425 1 10 . 1 1 17 17 SER N N 17 124.162 124.162 120.668 3.494 19693 1426 1 10 . 1 1 17 17 SER HA H 17 5.001 5.001 4.695 0.306 19693 1427 1 10 . 1 1 17 17 SER C C 17 169.036 169.036 174.563 -5.527 19693 1428 1 10 . 1 1 17 17 SER CA C 17 55.531 55.531 57.965 -2.433 19693 1429 1 10 . 1 1 17 17 SER CB C 17 63.316 63.316 64.253 -0.937 19693 1430 1 10 . 1 1 17 17 SER H H 17 9.441 9.441 9.361 0.080 19693 1431 1 10 . 1 1 18 18 GLY N N 18 108.239 108.239 109.309 -1.070 19693 1432 1 10 . 1 1 18 18 GLY C C 18 168.084 168.084 171.664 -3.580 19693 1433 1 10 . 1 1 18 18 GLY CA C 18 41.868 41.868 45.526 -3.658 19693 1434 1 10 . 1 1 18 18 GLY H H 18 7.359 7.359 7.452 -0.093 19693 1435 1 10 . 1 1 19 19 VAL N N 19 112.833 112.833 115.488 -2.655 19693 1436 1 10 . 1 1 19 19 VAL HA H 19 5.134 5.134 5.447 -0.313 19693 1437 1 10 . 1 1 19 19 VAL C C 19 172.336 172.336 175.086 -2.750 19693 1438 1 10 . 1 1 19 19 VAL CA C 19 57.390 57.390 58.972 -1.582 19693 1439 1 10 . 1 1 19 19 VAL CB C 19 33.578 33.578 35.354 -1.776 19693 1440 1 10 . 1 1 19 19 VAL H H 19 8.303 8.303 8.338 -0.035 19693 1441 1 10 . 1 1 20 20 CYS N N 20 120.436 120.436 120.511 -0.075 19693 1442 1 10 . 1 1 20 20 CYS HA H 20 4.884 4.884 4.915 -0.031 19693 1443 1 10 . 1 1 20 20 CYS C C 20 169.569 169.569 173.743 -4.174 19693 1444 1 10 . 1 1 20 20 CYS CA C 20 51.297 51.297 57.412 -6.115 19693 1445 1 10 . 1 1 20 20 CYS CB C 20 42.803 42.803 29.338 13.465 19693 1446 1 10 . 1 1 20 20 CYS H H 20 9.245 9.245 9.325 -0.080 19693 1447 1 10 . 1 1 21 21 GLU N N 21 128.078 128.078 125.810 2.268 19693 1448 1 10 . 1 1 21 21 GLU HA H 21 5.183 5.183 4.861 0.322 19693 1449 1 10 . 1 1 21 21 GLU C C 21 172.311 172.311 175.710 -3.399 19693 1450 1 10 . 1 1 21 21 GLU CA C 21 52.216 52.216 56.303 -4.088 19693 1451 1 10 . 1 1 21 21 GLU CB C 21 25.376 25.376 30.207 -4.831 19693 1452 1 10 . 1 1 21 21 GLU H H 21 8.981 8.981 8.683 0.298 19693 1453 1 10 . 1 1 22 22 ILE N N 22 127.676 127.676 127.753 -0.077 19693 1454 1 10 . 1 1 22 22 ILE HA H 22 4.245 4.245 4.552 -0.307 19693 1455 1 10 . 1 1 22 22 ILE C C 22 173.339 173.339 176.030 -2.691 19693 1456 1 10 . 1 1 22 22 ILE CA C 22 58.037 58.037 60.645 -2.608 19693 1457 1 10 . 1 1 22 22 ILE CB C 22 38.309 38.309 40.889 -2.580 19693 1458 1 10 . 1 1 22 22 ILE H H 22 8.884 8.884 9.140 -0.256 19693 1459 1 10 . 1 1 23 23 SER N N 23 123.963 123.963 122.322 1.641 19693 1460 1 10 . 1 1 23 23 SER HA H 23 4.016 4.016 4.150 -0.134 19693 1461 1 10 . 1 1 23 23 SER C C 23 172.285 172.285 175.071 -2.786 19693 1462 1 10 . 1 1 23 23 SER CA C 23 56.097 56.097 59.479 -3.382 19693 1463 1 10 . 1 1 23 23 SER CB C 23 59.837 59.837 61.816 -1.979 19693 1464 1 10 . 1 1 23 23 SER H H 23 9.442 9.442 9.281 0.161 19693 1465 1 10 . 1 1 24 24 GLY N N 24 104.009 104.009 106.261 -2.252 19693 1466 1 10 . 1 1 24 24 GLY C C 24 170.889 170.889 173.670 -2.781 19693 1467 1 10 . 1 1 24 24 GLY CA C 24 42.608 42.608 44.910 -2.302 19693 1468 1 10 . 1 1 24 24 GLY H H 24 8.570 8.570 8.316 0.254 19693 1469 1 10 . 1 1 25 25 ARG N N 25 120.867 120.867 121.232 -0.365 19693 1470 1 10 . 1 1 25 25 ARG HA H 25 4.513 4.513 4.597 -0.084 19693 1471 1 10 . 1 1 25 25 ARG C C 25 170.369 170.369 174.347 -3.978 19693 1472 1 10 . 1 1 25 25 ARG CA C 25 51.617 51.617 54.897 -3.280 19693 1473 1 10 . 1 1 25 25 ARG CB C 25 30.201 30.201 31.995 -1.794 19693 1474 1 10 . 1 1 25 25 ARG H H 25 7.822 7.822 8.040 -0.218 19693 1475 1 10 . 1 1 26 26 LEU N N 26 123.477 123.477 126.787 -3.310 19693 1476 1 10 . 1 1 26 26 LEU HA H 26 4.565 4.565 4.416 0.149 19693 1477 1 10 . 1 1 26 26 LEU C C 26 173.212 173.212 175.002 -1.790 19693 1478 1 10 . 1 1 26 26 LEU CA C 26 51.739 51.739 53.565 -1.825 19693 1479 1 10 . 1 1 26 26 LEU CB C 26 40.261 40.261 42.501 -2.240 19693 1480 1 10 . 1 1 26 26 LEU H H 26 8.091 8.091 8.570 -0.479 19693 1481 1 10 . 1 1 27 27 TYR N N 27 124.804 124.804 127.159 -2.355 19693 1482 1 10 . 1 1 27 27 TYR HA H 27 4.460 4.460 4.803 -0.343 19693 1483 1 10 . 1 1 27 27 TYR C C 27 172.476 172.476 175.255 -2.779 19693 1484 1 10 . 1 1 27 27 TYR CA C 27 54.890 54.890 57.596 -2.707 19693 1485 1 10 . 1 1 27 27 TYR CB C 27 37.029 37.029 38.622 -1.593 19693 1486 1 10 . 1 1 27 27 TYR H H 27 9.031 9.031 8.917 0.114 19693 1487 1 10 . 1 1 28 28 ARG N N 28 123.114 123.114 123.495 -0.381 19693 1488 1 10 . 1 1 28 28 ARG HA H 28 4.383 4.383 5.083 -0.700 19693 1489 1 10 . 1 1 28 28 ARG C C 28 171.981 171.981 175.176 -3.195 19693 1490 1 10 . 1 1 28 28 ARG CA C 28 53.833 53.833 54.937 -1.104 19693 1491 1 10 . 1 1 28 28 ARG CB C 28 28.603 28.603 32.781 -4.178 19693 1492 1 10 . 1 1 28 28 ARG H H 28 9.196 9.196 9.265 -0.069 19693 1493 1 10 . 1 1 29 29 LEU N N 29 120.619 120.619 123.551 -2.932 19693 1494 1 10 . 1 1 29 29 LEU HA H 29 4.982 4.982 5.374 -0.392 19693 1495 1 10 . 1 1 29 29 LEU C C 29 172.425 172.425 175.938 -3.513 19693 1496 1 10 . 1 1 29 29 LEU CA C 29 50.185 50.185 53.274 -3.089 19693 1497 1 10 . 1 1 29 29 LEU CB C 29 37.792 37.792 43.797 -6.005 19693 1498 1 10 . 1 1 29 29 LEU H H 29 8.329 8.329 9.068 -0.739 19693 1499 1 10 . 1 1 30 30 CYS N N 30 125.083 125.083 117.279 7.804 19693 1500 1 10 . 1 1 30 30 CYS HA H 30 5.287 5.287 4.934 0.353 19693 1501 1 10 . 1 1 30 30 CYS C C 30 172.146 172.146 173.014 -0.868 19693 1502 1 10 . 1 1 30 30 CYS CA C 30 50.276 50.276 57.016 -6.740 19693 1503 1 10 . 1 1 30 30 CYS CB C 30 39.605 39.605 27.942 11.663 19693 1504 1 10 . 1 1 30 30 CYS H H 30 8.786 8.786 8.405 0.381 19693 1505 1 10 . 1 1 31 31 CYS N N 31 120.846 120.846 123.702 -2.856 19693 1506 1 10 . 1 1 31 31 CYS HA H 31 5.666 5.666 5.187 0.479 19693 1507 1 10 . 1 1 31 31 CYS C C 31 171.511 171.511 173.471 -1.960 19693 1508 1 10 . 1 1 31 31 CYS CA C 31 53.018 53.018 57.780 -4.762 19693 1509 1 10 . 1 1 31 31 CYS CB C 31 46.072 46.072 31.043 15.029 19693 1510 1 10 . 1 1 31 31 CYS H H 31 8.954 8.954 8.396 0.558 19693 1511 1 11 . 1 1 2 2 THR N N 2 115.586 115.586 118.653 -3.067 19693 1512 1 11 . 1 1 2 2 THR HA H 2 4.571 4.571 4.810 -0.239 19693 1513 1 11 . 1 1 2 2 THR C C 2 170.749 170.749 173.539 -2.790 19693 1514 1 11 . 1 1 2 2 THR CA C 2 59.977 59.977 62.438 -2.462 19693 1515 1 11 . 1 1 2 2 THR CB C 2 68.060 68.060 69.655 -1.595 19693 1516 1 11 . 1 1 2 2 THR H H 2 8.365 8.365 8.646 -0.281 19693 1517 1 11 . 1 1 3 3 CYS N N 3 122.021 122.021 124.652 -2.631 19693 1518 1 11 . 1 1 3 3 CYS HA H 3 5.529 5.529 5.116 0.413 19693 1519 1 11 . 1 1 3 3 CYS C C 3 168.490 168.490 173.310 -4.820 19693 1520 1 11 . 1 1 3 3 CYS CA C 3 52.424 52.424 57.571 -5.147 19693 1521 1 11 . 1 1 3 3 CYS CB C 3 47.514 47.514 31.610 15.903 19693 1522 1 11 . 1 1 3 3 CYS H H 3 8.279 8.279 8.992 -0.713 19693 1523 1 11 . 1 1 4 4 TYR N N 4 117.786 117.786 116.905 0.881 19693 1524 1 11 . 1 1 4 4 TYR HA H 4 4.736 4.736 4.795 -0.059 19693 1525 1 11 . 1 1 4 4 TYR C C 4 172.133 172.133 173.349 -1.216 19693 1526 1 11 . 1 1 4 4 TYR CA C 4 53.772 53.772 56.645 -2.873 19693 1527 1 11 . 1 1 4 4 TYR CB C 4 39.602 39.602 38.837 0.764 19693 1528 1 11 . 1 1 4 4 TYR H H 4 8.632 8.632 8.252 0.380 19693 1529 1 11 . 1 1 5 5 CYS N N 5 118.451 118.451 122.179 -3.728 19693 1530 1 11 . 1 1 5 5 CYS HA H 5 5.397 5.397 5.376 0.021 19693 1531 1 11 . 1 1 5 5 CYS C C 5 171.739 171.739 174.906 -3.167 19693 1532 1 11 . 1 1 5 5 CYS CA C 5 53.833 53.833 58.215 -4.382 19693 1533 1 11 . 1 1 5 5 CYS CB C 5 41.545 41.545 26.619 14.927 19693 1534 1 11 . 1 1 5 5 CYS H H 5 8.902 8.902 8.558 0.344 19693 1535 1 11 . 1 1 6 6 ARG N N 6 123.236 123.236 125.566 -2.330 19693 1536 1 11 . 1 1 6 6 ARG HA H 6 5.018 5.018 4.987 0.031 19693 1537 1 11 . 1 1 6 6 ARG C C 6 172.945 172.945 176.807 -3.862 19693 1538 1 11 . 1 1 6 6 ARG CA C 6 51.799 51.799 54.845 -3.046 19693 1539 1 11 . 1 1 6 6 ARG CB C 6 30.528 30.528 32.764 -2.236 19693 1540 1 11 . 1 1 6 6 ARG H H 6 9.615 9.615 9.096 0.519 19693 1541 1 11 . 1 1 7 7 THR N N 7 113.052 113.052 113.913 -0.861 19693 1542 1 11 . 1 1 7 7 THR HA H 7 4.349 4.349 4.655 -0.306 19693 1543 1 11 . 1 1 7 7 THR C C 7 173.351 173.351 174.502 -1.151 19693 1544 1 11 . 1 1 7 7 THR CA C 7 59.780 59.780 62.413 -2.633 19693 1545 1 11 . 1 1 7 7 THR CB C 7 66.445 66.445 68.865 -2.420 19693 1546 1 11 . 1 1 7 7 THR H H 7 8.713 8.713 8.611 0.102 19693 1547 1 11 . 1 1 8 8 GLY N N 8 111.886 111.886 109.153 2.733 19693 1548 1 11 . 1 1 8 8 GLY C C 8 169.531 169.531 172.783 -3.252 19693 1549 1 11 . 1 1 8 8 GLY CA C 8 41.730 41.730 44.061 -2.331 19693 1550 1 11 . 1 1 8 8 GLY H H 8 7.884 7.884 7.559 0.325 19693 1551 1 11 . 1 1 9 9 ARG N N 9 117.348 117.348 117.129 0.219 19693 1552 1 11 . 1 1 9 9 ARG HA H 9 4.137 4.137 4.636 -0.499 19693 1553 1 11 . 1 1 9 9 ARG C C 9 174.633 174.633 174.560 0.073 19693 1554 1 11 . 1 1 9 9 ARG CA C 9 53.246 53.246 55.296 -2.050 19693 1555 1 11 . 1 1 9 9 ARG CB C 9 28.531 28.531 32.181 -3.650 19693 1556 1 11 . 1 1 9 9 ARG H H 9 8.031 8.031 8.385 -0.354 19693 1557 1 11 . 1 1 10 10 CYS N N 10 117.348 117.348 113.505 3.843 19693 1558 1 11 . 1 1 10 10 CYS HA H 10 4.714 4.714 5.012 -0.298 19693 1559 1 11 . 1 1 10 10 CYS C C 10 172.334 172.334 175.640 -3.306 19693 1560 1 11 . 1 1 10 10 CYS CA C 10 50.246 50.246 56.752 -6.506 19693 1561 1 11 . 1 1 10 10 CYS CB C 10 33.460 33.460 30.479 2.981 19693 1562 1 11 . 1 1 10 10 CYS H H 10 8.583 8.583 8.310 0.273 19693 1563 1 11 . 1 1 11 11 ALA HA H 11 4.296 4.296 4.094 0.202 19693 1564 1 11 . 1 1 11 11 ALA CA C 11 49.629 49.629 54.647 -5.018 19693 1565 1 11 . 1 1 11 11 ALA CB C 11 16.647 16.647 18.894 -2.247 19693 1566 1 11 . 1 1 12 12 THR CB C 12 67.089 67.089 68.387 -1.298 19693 1567 1 11 . 1 1 13 13 ARG HA H 13 4.073 4.073 4.086 -0.013 19693 1568 1 11 . 1 1 13 13 ARG CA C 13 55.450 55.450 57.864 -2.414 19693 1569 1 11 . 1 1 13 13 ARG CB C 13 25.699 25.699 29.422 -3.723 19693 1570 1 11 . 1 1 15 15 SER HA H 15 4.692 4.692 4.461 0.231 19693 1571 1 11 . 1 1 15 15 SER CB C 15 62.241 62.241 63.642 -1.401 19693 1572 1 11 . 1 1 16 16 LEU HA H 16 4.760 4.760 4.515 0.245 19693 1573 1 11 . 1 1 16 16 LEU C C 16 175.052 175.052 176.872 -1.820 19693 1574 1 11 . 1 1 16 16 LEU CA C 16 54.175 54.175 54.961 -0.785 19693 1575 1 11 . 1 1 16 16 LEU CB C 16 38.191 38.191 42.068 -3.877 19693 1576 1 11 . 1 1 17 17 SER N N 17 124.162 124.162 122.354 1.808 19693 1577 1 11 . 1 1 17 17 SER HA H 17 5.001 5.001 4.651 0.350 19693 1578 1 11 . 1 1 17 17 SER C C 17 169.036 169.036 174.811 -5.775 19693 1579 1 11 . 1 1 17 17 SER CA C 17 55.531 55.531 58.071 -2.540 19693 1580 1 11 . 1 1 17 17 SER CB C 17 63.316 63.316 64.808 -1.492 19693 1581 1 11 . 1 1 17 17 SER H H 17 9.441 9.441 9.187 0.254 19693 1582 1 11 . 1 1 18 18 GLY N N 18 108.239 108.239 109.721 -1.482 19693 1583 1 11 . 1 1 18 18 GLY C C 18 168.084 168.084 171.644 -3.560 19693 1584 1 11 . 1 1 18 18 GLY CA C 18 41.868 41.868 45.681 -3.813 19693 1585 1 11 . 1 1 18 18 GLY H H 18 7.359 7.359 7.485 -0.126 19693 1586 1 11 . 1 1 19 19 VAL N N 19 112.833 112.833 115.717 -2.884 19693 1587 1 11 . 1 1 19 19 VAL HA H 19 5.134 5.134 5.453 -0.319 19693 1588 1 11 . 1 1 19 19 VAL C C 19 172.336 172.336 174.969 -2.633 19693 1589 1 11 . 1 1 19 19 VAL CA C 19 57.390 57.390 59.627 -2.237 19693 1590 1 11 . 1 1 19 19 VAL CB C 19 33.578 33.578 35.663 -2.084 19693 1591 1 11 . 1 1 19 19 VAL H H 19 8.303 8.303 8.365 -0.062 19693 1592 1 11 . 1 1 20 20 CYS N N 20 120.436 120.436 122.071 -1.635 19693 1593 1 11 . 1 1 20 20 CYS HA H 20 4.884 4.884 4.868 0.016 19693 1594 1 11 . 1 1 20 20 CYS C C 20 169.569 169.569 174.202 -4.633 19693 1595 1 11 . 1 1 20 20 CYS CA C 20 51.297 51.297 57.757 -6.460 19693 1596 1 11 . 1 1 20 20 CYS CB C 20 42.803 42.803 29.329 13.474 19693 1597 1 11 . 1 1 20 20 CYS H H 20 9.245 9.245 9.040 0.205 19693 1598 1 11 . 1 1 21 21 GLU N N 21 128.078 128.078 126.302 1.776 19693 1599 1 11 . 1 1 21 21 GLU HA H 21 5.183 5.183 4.881 0.302 19693 1600 1 11 . 1 1 21 21 GLU C C 21 172.311 172.311 175.922 -3.611 19693 1601 1 11 . 1 1 21 21 GLU CA C 21 52.216 52.216 56.133 -3.917 19693 1602 1 11 . 1 1 21 21 GLU CB C 21 25.376 25.376 29.933 -4.557 19693 1603 1 11 . 1 1 21 21 GLU H H 21 8.981 8.981 8.810 0.171 19693 1604 1 11 . 1 1 22 22 ILE N N 22 127.676 127.676 129.467 -1.791 19693 1605 1 11 . 1 1 22 22 ILE HA H 22 4.245 4.245 4.545 -0.300 19693 1606 1 11 . 1 1 22 22 ILE C C 22 173.339 173.339 176.181 -2.842 19693 1607 1 11 . 1 1 22 22 ILE CA C 22 58.037 58.037 60.802 -2.765 19693 1608 1 11 . 1 1 22 22 ILE CB C 22 38.309 38.309 39.885 -1.576 19693 1609 1 11 . 1 1 22 22 ILE H H 22 8.884 8.884 9.076 -0.192 19693 1610 1 11 . 1 1 23 23 SER N N 23 123.963 123.963 124.004 -0.041 19693 1611 1 11 . 1 1 23 23 SER HA H 23 4.016 4.016 4.148 -0.132 19693 1612 1 11 . 1 1 23 23 SER C C 23 172.285 172.285 174.950 -2.665 19693 1613 1 11 . 1 1 23 23 SER CA C 23 56.097 56.097 59.191 -3.094 19693 1614 1 11 . 1 1 23 23 SER CB C 23 59.837 59.837 61.079 -1.242 19693 1615 1 11 . 1 1 23 23 SER H H 23 9.442 9.442 9.291 0.151 19693 1616 1 11 . 1 1 24 24 GLY N N 24 104.009 104.009 106.675 -2.666 19693 1617 1 11 . 1 1 24 24 GLY C C 24 170.889 170.889 173.529 -2.640 19693 1618 1 11 . 1 1 24 24 GLY CA C 24 42.608 42.608 45.007 -2.399 19693 1619 1 11 . 1 1 24 24 GLY H H 24 8.570 8.570 8.542 0.028 19693 1620 1 11 . 1 1 25 25 ARG N N 25 120.867 120.867 121.240 -0.373 19693 1621 1 11 . 1 1 25 25 ARG HA H 25 4.513 4.513 4.623 -0.110 19693 1622 1 11 . 1 1 25 25 ARG C C 25 170.369 170.369 174.660 -4.291 19693 1623 1 11 . 1 1 25 25 ARG CA C 25 51.617 51.617 54.782 -3.165 19693 1624 1 11 . 1 1 25 25 ARG CB C 25 30.201 30.201 31.975 -1.774 19693 1625 1 11 . 1 1 25 25 ARG H H 25 7.822 7.822 8.000 -0.178 19693 1626 1 11 . 1 1 26 26 LEU N N 26 123.477 123.477 125.734 -2.257 19693 1627 1 11 . 1 1 26 26 LEU HA H 26 4.565 4.565 4.467 0.098 19693 1628 1 11 . 1 1 26 26 LEU C C 26 173.212 173.212 175.564 -2.352 19693 1629 1 11 . 1 1 26 26 LEU CA C 26 51.739 51.739 54.148 -2.409 19693 1630 1 11 . 1 1 26 26 LEU CB C 26 40.261 40.261 42.789 -2.528 19693 1631 1 11 . 1 1 26 26 LEU H H 26 8.091 8.091 8.591 -0.500 19693 1632 1 11 . 1 1 27 27 TYR N N 27 124.804 124.804 123.603 1.201 19693 1633 1 11 . 1 1 27 27 TYR HA H 27 4.460 4.460 5.030 -0.570 19693 1634 1 11 . 1 1 27 27 TYR C C 27 172.476 172.476 174.876 -2.400 19693 1635 1 11 . 1 1 27 27 TYR CA C 27 54.890 54.890 56.862 -1.972 19693 1636 1 11 . 1 1 27 27 TYR CB C 27 37.029 37.029 40.251 -3.222 19693 1637 1 11 . 1 1 27 27 TYR H H 27 9.031 9.031 8.818 0.213 19693 1638 1 11 . 1 1 28 28 ARG N N 28 123.114 123.114 123.086 0.028 19693 1639 1 11 . 1 1 28 28 ARG HA H 28 4.383 4.383 4.974 -0.591 19693 1640 1 11 . 1 1 28 28 ARG C C 28 171.981 171.981 175.158 -3.177 19693 1641 1 11 . 1 1 28 28 ARG CA C 28 53.833 53.833 54.928 -1.095 19693 1642 1 11 . 1 1 28 28 ARG CB C 28 28.603 28.603 32.970 -4.367 19693 1643 1 11 . 1 1 28 28 ARG H H 28 9.196 9.196 9.421 -0.225 19693 1644 1 11 . 1 1 29 29 LEU N N 29 120.619 120.619 124.578 -3.959 19693 1645 1 11 . 1 1 29 29 LEU HA H 29 4.982 4.982 5.308 -0.326 19693 1646 1 11 . 1 1 29 29 LEU C C 29 172.425 172.425 175.621 -3.196 19693 1647 1 11 . 1 1 29 29 LEU CA C 29 50.185 50.185 53.350 -3.166 19693 1648 1 11 . 1 1 29 29 LEU CB C 29 37.792 37.792 42.322 -4.530 19693 1649 1 11 . 1 1 29 29 LEU H H 29 8.329 8.329 9.022 -0.693 19693 1650 1 11 . 1 1 30 30 CYS N N 30 125.083 125.083 119.376 5.707 19693 1651 1 11 . 1 1 30 30 CYS HA H 30 5.287 5.287 5.473 -0.185 19693 1652 1 11 . 1 1 30 30 CYS C C 30 172.146 172.146 174.940 -2.794 19693 1653 1 11 . 1 1 30 30 CYS CA C 30 50.276 50.276 55.659 -5.383 19693 1654 1 11 . 1 1 30 30 CYS CB C 30 39.605 39.605 27.935 11.670 19693 1655 1 11 . 1 1 30 30 CYS H H 30 8.786 8.786 7.928 0.858 19693 1656 1 11 . 1 1 31 31 CYS N N 31 120.846 120.846 125.951 -5.105 19693 1657 1 11 . 1 1 31 31 CYS HA H 31 5.666 5.666 5.065 0.601 19693 1658 1 11 . 1 1 31 31 CYS C C 31 171.511 171.511 174.290 -2.779 19693 1659 1 11 . 1 1 31 31 CYS CA C 31 53.018 53.018 58.497 -5.479 19693 1660 1 11 . 1 1 31 31 CYS CB C 31 46.072 46.072 29.266 16.806 19693 1661 1 11 . 1 1 31 31 CYS H H 31 8.954 8.954 8.354 0.600 19693 1662 1 12 . 1 1 2 2 THR N N 2 115.586 115.586 121.280 -5.694 19693 1663 1 12 . 1 1 2 2 THR HA H 2 4.571 4.571 4.704 -0.133 19693 1664 1 12 . 1 1 2 2 THR C C 2 170.749 170.749 173.669 -2.920 19693 1665 1 12 . 1 1 2 2 THR CA C 2 59.977 59.977 61.731 -1.754 19693 1666 1 12 . 1 1 2 2 THR CB C 2 68.060 68.060 68.895 -0.835 19693 1667 1 12 . 1 1 2 2 THR H H 2 8.365 8.365 8.827 -0.462 19693 1668 1 12 . 1 1 3 3 CYS N N 3 122.021 122.021 126.308 -4.287 19693 1669 1 12 . 1 1 3 3 CYS HA H 3 5.529 5.529 5.398 0.131 19693 1670 1 12 . 1 1 3 3 CYS C C 3 168.490 168.490 174.087 -5.597 19693 1671 1 12 . 1 1 3 3 CYS CA C 3 52.424 52.424 57.194 -4.770 19693 1672 1 12 . 1 1 3 3 CYS CB C 3 47.514 47.514 30.955 16.559 19693 1673 1 12 . 1 1 3 3 CYS H H 3 8.279 8.279 8.996 -0.717 19693 1674 1 12 . 1 1 4 4 TYR N N 4 117.786 117.786 118.460 -0.674 19693 1675 1 12 . 1 1 4 4 TYR HA H 4 4.736 4.736 4.867 -0.131 19693 1676 1 12 . 1 1 4 4 TYR C C 4 172.133 172.133 173.360 -1.227 19693 1677 1 12 . 1 1 4 4 TYR CA C 4 53.772 53.772 56.401 -2.629 19693 1678 1 12 . 1 1 4 4 TYR CB C 4 39.602 39.602 39.173 0.429 19693 1679 1 12 . 1 1 4 4 TYR H H 4 8.632 8.632 8.353 0.279 19693 1680 1 12 . 1 1 5 5 CYS N N 5 118.451 118.451 122.118 -3.667 19693 1681 1 12 . 1 1 5 5 CYS HA H 5 5.397 5.397 5.277 0.120 19693 1682 1 12 . 1 1 5 5 CYS C C 5 171.739 171.739 174.777 -3.038 19693 1683 1 12 . 1 1 5 5 CYS CA C 5 53.833 53.833 58.302 -4.469 19693 1684 1 12 . 1 1 5 5 CYS CB C 5 41.545 41.545 26.623 14.922 19693 1685 1 12 . 1 1 5 5 CYS H H 5 8.902 8.902 8.561 0.341 19693 1686 1 12 . 1 1 6 6 ARG N N 6 123.236 123.236 124.448 -1.212 19693 1687 1 12 . 1 1 6 6 ARG HA H 6 5.018 5.018 5.007 0.011 19693 1688 1 12 . 1 1 6 6 ARG C C 6 172.945 172.945 176.648 -3.703 19693 1689 1 12 . 1 1 6 6 ARG CA C 6 51.799 51.799 54.315 -2.516 19693 1690 1 12 . 1 1 6 6 ARG CB C 6 30.528 30.528 31.959 -1.431 19693 1691 1 12 . 1 1 6 6 ARG H H 6 9.615 9.615 9.088 0.527 19693 1692 1 12 . 1 1 7 7 THR N N 7 113.052 113.052 112.551 0.501 19693 1693 1 12 . 1 1 7 7 THR HA H 7 4.349 4.349 4.536 -0.187 19693 1694 1 12 . 1 1 7 7 THR C C 7 173.351 173.351 174.733 -1.382 19693 1695 1 12 . 1 1 7 7 THR CA C 7 59.780 59.780 62.649 -2.869 19693 1696 1 12 . 1 1 7 7 THR CB C 7 66.445 66.445 69.240 -2.795 19693 1697 1 12 . 1 1 7 7 THR H H 7 8.713 8.713 8.668 0.045 19693 1698 1 12 . 1 1 8 8 GLY N N 8 111.886 111.886 108.463 3.423 19693 1699 1 12 . 1 1 8 8 GLY C C 8 169.531 169.531 172.687 -3.156 19693 1700 1 12 . 1 1 8 8 GLY CA C 8 41.730 41.730 44.138 -2.408 19693 1701 1 12 . 1 1 8 8 GLY H H 8 7.884 7.884 7.841 0.043 19693 1702 1 12 . 1 1 9 9 ARG N N 9 117.348 117.348 119.524 -2.176 19693 1703 1 12 . 1 1 9 9 ARG HA H 9 4.137 4.137 4.530 -0.393 19693 1704 1 12 . 1 1 9 9 ARG C C 9 174.633 174.633 174.683 -0.050 19693 1705 1 12 . 1 1 9 9 ARG CA C 9 53.246 53.246 55.819 -2.573 19693 1706 1 12 . 1 1 9 9 ARG CB C 9 28.531 28.531 31.674 -3.143 19693 1707 1 12 . 1 1 9 9 ARG H H 9 8.031 8.031 8.171 -0.140 19693 1708 1 12 . 1 1 10 10 CYS N N 10 117.348 117.348 113.750 3.598 19693 1709 1 12 . 1 1 10 10 CYS HA H 10 4.714 4.714 5.027 -0.313 19693 1710 1 12 . 1 1 10 10 CYS C C 10 172.334 172.334 175.515 -3.181 19693 1711 1 12 . 1 1 10 10 CYS CA C 10 50.246 50.246 56.169 -5.923 19693 1712 1 12 . 1 1 10 10 CYS CB C 10 33.460 33.460 31.310 2.150 19693 1713 1 12 . 1 1 10 10 CYS H H 10 8.583 8.583 8.268 0.315 19693 1714 1 12 . 1 1 11 11 ALA HA H 11 4.296 4.296 4.153 0.143 19693 1715 1 12 . 1 1 11 11 ALA CA C 11 49.629 49.629 54.544 -4.915 19693 1716 1 12 . 1 1 11 11 ALA CB C 11 16.647 16.647 19.024 -2.377 19693 1717 1 12 . 1 1 12 12 THR CB C 12 67.089 67.089 69.044 -1.955 19693 1718 1 12 . 1 1 13 13 ARG HA H 13 4.073 4.073 4.239 -0.166 19693 1719 1 12 . 1 1 13 13 ARG CA C 13 55.450 55.450 57.425 -1.975 19693 1720 1 12 . 1 1 13 13 ARG CB C 13 25.699 25.699 30.514 -4.815 19693 1721 1 12 . 1 1 15 15 SER HA H 15 4.692 4.692 4.477 0.215 19693 1722 1 12 . 1 1 15 15 SER CB C 15 62.241 62.241 63.795 -1.554 19693 1723 1 12 . 1 1 16 16 LEU HA H 16 4.760 4.760 5.340 -0.580 19693 1724 1 12 . 1 1 16 16 LEU C C 16 175.052 175.052 175.918 -0.866 19693 1725 1 12 . 1 1 16 16 LEU CA C 16 54.175 54.175 54.067 0.108 19693 1726 1 12 . 1 1 16 16 LEU CB C 16 38.191 38.191 43.848 -5.657 19693 1727 1 12 . 1 1 17 17 SER N N 17 124.162 124.162 120.383 3.779 19693 1728 1 12 . 1 1 17 17 SER HA H 17 5.001 5.001 4.710 0.291 19693 1729 1 12 . 1 1 17 17 SER C C 17 169.036 169.036 174.585 -5.549 19693 1730 1 12 . 1 1 17 17 SER CA C 17 55.531 55.531 57.888 -2.357 19693 1731 1 12 . 1 1 17 17 SER CB C 17 63.316 63.316 64.255 -0.939 19693 1732 1 12 . 1 1 17 17 SER H H 17 9.441 9.441 9.216 0.225 19693 1733 1 12 . 1 1 18 18 GLY N N 18 108.239 108.239 109.447 -1.208 19693 1734 1 12 . 1 1 18 18 GLY C C 18 168.084 168.084 171.811 -3.727 19693 1735 1 12 . 1 1 18 18 GLY CA C 18 41.868 41.868 45.415 -3.547 19693 1736 1 12 . 1 1 18 18 GLY H H 18 7.359 7.359 7.423 -0.064 19693 1737 1 12 . 1 1 19 19 VAL N N 19 112.833 112.833 114.834 -2.001 19693 1738 1 12 . 1 1 19 19 VAL HA H 19 5.134 5.134 5.377 -0.243 19693 1739 1 12 . 1 1 19 19 VAL C C 19 172.336 172.336 174.729 -2.393 19693 1740 1 12 . 1 1 19 19 VAL CA C 19 57.390 57.390 59.437 -2.047 19693 1741 1 12 . 1 1 19 19 VAL CB C 19 33.578 33.578 35.534 -1.956 19693 1742 1 12 . 1 1 19 19 VAL H H 19 8.303 8.303 8.431 -0.128 19693 1743 1 12 . 1 1 20 20 CYS N N 20 120.436 120.436 120.372 0.064 19693 1744 1 12 . 1 1 20 20 CYS HA H 20 4.884 4.884 4.924 -0.040 19693 1745 1 12 . 1 1 20 20 CYS C C 20 169.569 169.569 173.923 -4.354 19693 1746 1 12 . 1 1 20 20 CYS CA C 20 51.297 51.297 57.459 -6.162 19693 1747 1 12 . 1 1 20 20 CYS CB C 20 42.803 42.803 29.197 13.606 19693 1748 1 12 . 1 1 20 20 CYS H H 20 9.245 9.245 9.326 -0.081 19693 1749 1 12 . 1 1 21 21 GLU N N 21 128.078 128.078 125.550 2.528 19693 1750 1 12 . 1 1 21 21 GLU HA H 21 5.183 5.183 4.919 0.264 19693 1751 1 12 . 1 1 21 21 GLU C C 21 172.311 172.311 175.728 -3.417 19693 1752 1 12 . 1 1 21 21 GLU CA C 21 52.216 52.216 56.222 -4.006 19693 1753 1 12 . 1 1 21 21 GLU CB C 21 25.376 25.376 30.372 -4.996 19693 1754 1 12 . 1 1 21 21 GLU H H 21 8.981 8.981 8.662 0.319 19693 1755 1 12 . 1 1 22 22 ILE N N 22 127.676 127.676 127.776 -0.100 19693 1756 1 12 . 1 1 22 22 ILE HA H 22 4.245 4.245 4.550 -0.305 19693 1757 1 12 . 1 1 22 22 ILE C C 22 173.339 173.339 176.083 -2.744 19693 1758 1 12 . 1 1 22 22 ILE CA C 22 58.037 58.037 60.644 -2.607 19693 1759 1 12 . 1 1 22 22 ILE CB C 22 38.309 38.309 40.699 -2.390 19693 1760 1 12 . 1 1 22 22 ILE H H 22 8.884 8.884 9.146 -0.262 19693 1761 1 12 . 1 1 23 23 SER N N 23 123.963 123.963 122.003 1.960 19693 1762 1 12 . 1 1 23 23 SER HA H 23 4.016 4.016 4.130 -0.114 19693 1763 1 12 . 1 1 23 23 SER C C 23 172.285 172.285 175.235 -2.950 19693 1764 1 12 . 1 1 23 23 SER CA C 23 56.097 56.097 59.363 -3.266 19693 1765 1 12 . 1 1 23 23 SER CB C 23 59.837 59.837 61.765 -1.928 19693 1766 1 12 . 1 1 23 23 SER H H 23 9.442 9.442 9.314 0.128 19693 1767 1 12 . 1 1 24 24 GLY N N 24 104.009 104.009 105.915 -1.906 19693 1768 1 12 . 1 1 24 24 GLY C C 24 170.889 170.889 173.722 -2.833 19693 1769 1 12 . 1 1 24 24 GLY CA C 24 42.608 42.608 44.966 -2.358 19693 1770 1 12 . 1 1 24 24 GLY H H 24 8.570 8.570 8.347 0.223 19693 1771 1 12 . 1 1 25 25 ARG N N 25 120.867 120.867 120.876 -0.009 19693 1772 1 12 . 1 1 25 25 ARG HA H 25 4.513 4.513 4.568 -0.055 19693 1773 1 12 . 1 1 25 25 ARG C C 25 170.369 170.369 174.325 -3.956 19693 1774 1 12 . 1 1 25 25 ARG CA C 25 51.617 51.617 54.963 -3.346 19693 1775 1 12 . 1 1 25 25 ARG CB C 25 30.201 30.201 31.904 -1.702 19693 1776 1 12 . 1 1 25 25 ARG H H 25 7.822 7.822 8.031 -0.209 19693 1777 1 12 . 1 1 26 26 LEU N N 26 123.477 123.477 127.435 -3.958 19693 1778 1 12 . 1 1 26 26 LEU HA H 26 4.565 4.565 4.484 0.081 19693 1779 1 12 . 1 1 26 26 LEU C C 26 173.212 173.212 175.200 -1.988 19693 1780 1 12 . 1 1 26 26 LEU CA C 26 51.739 51.739 53.365 -1.626 19693 1781 1 12 . 1 1 26 26 LEU CB C 26 40.261 40.261 42.760 -2.499 19693 1782 1 12 . 1 1 26 26 LEU H H 26 8.091 8.091 8.608 -0.517 19693 1783 1 12 . 1 1 27 27 TYR N N 27 124.804 124.804 127.171 -2.367 19693 1784 1 12 . 1 1 27 27 TYR HA H 27 4.460 4.460 4.995 -0.535 19693 1785 1 12 . 1 1 27 27 TYR C C 27 172.476 172.476 175.455 -2.979 19693 1786 1 12 . 1 1 27 27 TYR CA C 27 54.890 54.890 57.107 -2.217 19693 1787 1 12 . 1 1 27 27 TYR CB C 27 37.029 37.029 38.302 -1.273 19693 1788 1 12 . 1 1 27 27 TYR H H 27 9.031 9.031 8.870 0.161 19693 1789 1 12 . 1 1 28 28 ARG N N 28 123.114 123.114 123.033 0.081 19693 1790 1 12 . 1 1 28 28 ARG HA H 28 4.383 4.383 4.926 -0.543 19693 1791 1 12 . 1 1 28 28 ARG C C 28 171.981 171.981 175.274 -3.293 19693 1792 1 12 . 1 1 28 28 ARG CA C 28 53.833 53.833 55.347 -1.514 19693 1793 1 12 . 1 1 28 28 ARG CB C 28 28.603 28.603 32.489 -3.886 19693 1794 1 12 . 1 1 28 28 ARG H H 28 9.196 9.196 9.306 -0.110 19693 1795 1 12 . 1 1 29 29 LEU N N 29 120.619 120.619 122.419 -1.800 19693 1796 1 12 . 1 1 29 29 LEU HA H 29 4.982 4.982 5.291 -0.309 19693 1797 1 12 . 1 1 29 29 LEU C C 29 172.425 172.425 175.923 -3.498 19693 1798 1 12 . 1 1 29 29 LEU CA C 29 50.185 50.185 53.234 -3.049 19693 1799 1 12 . 1 1 29 29 LEU CB C 29 37.792 37.792 43.909 -6.117 19693 1800 1 12 . 1 1 29 29 LEU H H 29 8.329 8.329 8.913 -0.584 19693 1801 1 12 . 1 1 30 30 CYS N N 30 125.083 125.083 117.986 7.097 19693 1802 1 12 . 1 1 30 30 CYS HA H 30 5.287 5.287 4.973 0.314 19693 1803 1 12 . 1 1 30 30 CYS C C 30 172.146 172.146 172.571 -0.425 19693 1804 1 12 . 1 1 30 30 CYS CA C 30 50.276 50.276 56.213 -5.937 19693 1805 1 12 . 1 1 30 30 CYS CB C 30 39.605 39.605 28.825 10.780 19693 1806 1 12 . 1 1 30 30 CYS H H 30 8.786 8.786 8.173 0.613 19693 1807 1 12 . 1 1 31 31 CYS N N 31 120.846 120.846 122.326 -1.480 19693 1808 1 12 . 1 1 31 31 CYS HA H 31 5.666 5.666 5.146 0.520 19693 1809 1 12 . 1 1 31 31 CYS C C 31 171.511 171.511 173.005 -1.494 19693 1810 1 12 . 1 1 31 31 CYS CA C 31 53.018 53.018 58.323 -5.305 19693 1811 1 12 . 1 1 31 31 CYS CB C 31 46.072 46.072 31.085 14.987 19693 1812 1 12 . 1 1 31 31 CYS H H 31 8.954 8.954 8.401 0.553 19693 1813 1 13 . 1 1 2 2 THR N N 2 115.586 115.586 119.815 -4.229 19693 1814 1 13 . 1 1 2 2 THR HA H 2 4.571 4.571 4.781 -0.210 19693 1815 1 13 . 1 1 2 2 THR C C 2 170.749 170.749 173.408 -2.659 19693 1816 1 13 . 1 1 2 2 THR CA C 2 59.977 59.977 62.033 -2.056 19693 1817 1 13 . 1 1 2 2 THR CB C 2 68.060 68.060 68.638 -0.578 19693 1818 1 13 . 1 1 2 2 THR H H 2 8.365 8.365 8.366 -0.001 19693 1819 1 13 . 1 1 3 3 CYS N N 3 122.021 122.021 125.880 -3.859 19693 1820 1 13 . 1 1 3 3 CYS HA H 3 5.529 5.529 5.273 0.256 19693 1821 1 13 . 1 1 3 3 CYS C C 3 168.490 168.490 173.943 -5.453 19693 1822 1 13 . 1 1 3 3 CYS CA C 3 52.424 52.424 57.313 -4.889 19693 1823 1 13 . 1 1 3 3 CYS CB C 3 47.514 47.514 31.575 15.939 19693 1824 1 13 . 1 1 3 3 CYS H H 3 8.279 8.279 8.993 -0.714 19693 1825 1 13 . 1 1 4 4 TYR N N 4 117.786 117.786 117.621 0.165 19693 1826 1 13 . 1 1 4 4 TYR HA H 4 4.736 4.736 4.844 -0.108 19693 1827 1 13 . 1 1 4 4 TYR C C 4 172.133 172.133 173.257 -1.124 19693 1828 1 13 . 1 1 4 4 TYR CA C 4 53.772 53.772 56.553 -2.780 19693 1829 1 13 . 1 1 4 4 TYR CB C 4 39.602 39.602 39.005 0.597 19693 1830 1 13 . 1 1 4 4 TYR H H 4 8.632 8.632 8.385 0.247 19693 1831 1 13 . 1 1 5 5 CYS N N 5 118.451 118.451 121.773 -3.322 19693 1832 1 13 . 1 1 5 5 CYS HA H 5 5.397 5.397 5.222 0.175 19693 1833 1 13 . 1 1 5 5 CYS C C 5 171.739 171.739 174.935 -3.196 19693 1834 1 13 . 1 1 5 5 CYS CA C 5 53.833 53.833 58.119 -4.286 19693 1835 1 13 . 1 1 5 5 CYS CB C 5 41.545 41.545 26.583 14.962 19693 1836 1 13 . 1 1 5 5 CYS H H 5 8.902 8.902 8.483 0.419 19693 1837 1 13 . 1 1 6 6 ARG N N 6 123.236 123.236 123.234 0.002 19693 1838 1 13 . 1 1 6 6 ARG HA H 6 5.018 5.018 4.979 0.039 19693 1839 1 13 . 1 1 6 6 ARG C C 6 172.945 172.945 176.678 -3.733 19693 1840 1 13 . 1 1 6 6 ARG CA C 6 51.799 51.799 53.989 -2.190 19693 1841 1 13 . 1 1 6 6 ARG CB C 6 30.528 30.528 31.703 -1.175 19693 1842 1 13 . 1 1 6 6 ARG H H 6 9.615 9.615 9.176 0.439 19693 1843 1 13 . 1 1 7 7 THR N N 7 113.052 113.052 112.032 1.020 19693 1844 1 13 . 1 1 7 7 THR HA H 7 4.349 4.349 4.597 -0.248 19693 1845 1 13 . 1 1 7 7 THR C C 7 173.351 173.351 175.052 -1.701 19693 1846 1 13 . 1 1 7 7 THR CA C 7 59.780 59.780 62.905 -3.125 19693 1847 1 13 . 1 1 7 7 THR CB C 7 66.445 66.445 69.237 -2.792 19693 1848 1 13 . 1 1 7 7 THR H H 7 8.713 8.713 8.712 0.001 19693 1849 1 13 . 1 1 8 8 GLY N N 8 111.886 111.886 110.076 1.810 19693 1850 1 13 . 1 1 8 8 GLY C C 8 169.531 169.531 173.143 -3.612 19693 1851 1 13 . 1 1 8 8 GLY CA C 8 41.730 41.730 44.262 -2.532 19693 1852 1 13 . 1 1 8 8 GLY H H 8 7.884 7.884 8.093 -0.209 19693 1853 1 13 . 1 1 9 9 ARG N N 9 117.348 117.348 120.008 -2.660 19693 1854 1 13 . 1 1 9 9 ARG HA H 9 4.137 4.137 4.547 -0.410 19693 1855 1 13 . 1 1 9 9 ARG C C 9 174.633 174.633 175.297 -0.664 19693 1856 1 13 . 1 1 9 9 ARG CA C 9 53.246 53.246 54.897 -1.651 19693 1857 1 13 . 1 1 9 9 ARG CB C 9 28.531 28.531 31.467 -2.936 19693 1858 1 13 . 1 1 9 9 ARG H H 9 8.031 8.031 7.859 0.172 19693 1859 1 13 . 1 1 10 10 CYS N N 10 117.348 117.348 113.355 3.993 19693 1860 1 13 . 1 1 10 10 CYS HA H 10 4.714 4.714 5.054 -0.340 19693 1861 1 13 . 1 1 10 10 CYS C C 10 172.334 172.334 174.911 -2.577 19693 1862 1 13 . 1 1 10 10 CYS CA C 10 50.246 50.246 55.653 -5.407 19693 1863 1 13 . 1 1 10 10 CYS CB C 10 33.460 33.460 31.363 2.097 19693 1864 1 13 . 1 1 10 10 CYS H H 10 8.583 8.583 8.158 0.425 19693 1865 1 13 . 1 1 11 11 ALA HA H 11 4.296 4.296 4.344 -0.048 19693 1866 1 13 . 1 1 11 11 ALA CA C 11 49.629 49.629 53.319 -3.690 19693 1867 1 13 . 1 1 11 11 ALA CB C 11 16.647 16.647 17.134 -0.487 19693 1868 1 13 . 1 1 12 12 THR CB C 12 67.089 67.089 69.342 -2.253 19693 1869 1 13 . 1 1 13 13 ARG HA H 13 4.073 4.073 3.937 0.136 19693 1870 1 13 . 1 1 13 13 ARG CA C 13 55.450 55.450 58.983 -3.533 19693 1871 1 13 . 1 1 13 13 ARG CB C 13 25.699 25.699 28.479 -2.780 19693 1872 1 13 . 1 1 15 15 SER HA H 15 4.692 4.692 4.143 0.549 19693 1873 1 13 . 1 1 15 15 SER CB C 15 62.241 62.241 61.925 0.317 19693 1874 1 13 . 1 1 16 16 LEU HA H 16 4.760 4.760 4.590 0.170 19693 1875 1 13 . 1 1 16 16 LEU C C 16 175.052 175.052 177.605 -2.553 19693 1876 1 13 . 1 1 16 16 LEU CA C 16 54.175 54.175 55.219 -1.044 19693 1877 1 13 . 1 1 16 16 LEU CB C 16 38.191 38.191 42.399 -4.208 19693 1878 1 13 . 1 1 17 17 SER N N 17 124.162 124.162 121.673 2.489 19693 1879 1 13 . 1 1 17 17 SER HA H 17 5.001 5.001 4.652 0.349 19693 1880 1 13 . 1 1 17 17 SER C C 17 169.036 169.036 174.656 -5.620 19693 1881 1 13 . 1 1 17 17 SER CA C 17 55.531 55.531 58.082 -2.551 19693 1882 1 13 . 1 1 17 17 SER CB C 17 63.316 63.316 64.871 -1.555 19693 1883 1 13 . 1 1 17 17 SER H H 17 9.441 9.441 9.246 0.195 19693 1884 1 13 . 1 1 18 18 GLY N N 18 108.239 108.239 109.957 -1.718 19693 1885 1 13 . 1 1 18 18 GLY C C 18 168.084 168.084 171.788 -3.704 19693 1886 1 13 . 1 1 18 18 GLY CA C 18 41.868 41.868 45.505 -3.637 19693 1887 1 13 . 1 1 18 18 GLY H H 18 7.359 7.359 7.443 -0.084 19693 1888 1 13 . 1 1 19 19 VAL N N 19 112.833 112.833 115.000 -2.167 19693 1889 1 13 . 1 1 19 19 VAL HA H 19 5.134 5.134 5.418 -0.284 19693 1890 1 13 . 1 1 19 19 VAL C C 19 172.336 172.336 174.749 -2.413 19693 1891 1 13 . 1 1 19 19 VAL CA C 19 57.390 57.390 59.249 -1.859 19693 1892 1 13 . 1 1 19 19 VAL CB C 19 33.578 33.578 35.809 -2.231 19693 1893 1 13 . 1 1 19 19 VAL H H 19 8.303 8.303 8.438 -0.135 19693 1894 1 13 . 1 1 20 20 CYS N N 20 120.436 120.436 119.584 0.852 19693 1895 1 13 . 1 1 20 20 CYS HA H 20 4.884 4.884 4.915 -0.031 19693 1896 1 13 . 1 1 20 20 CYS C C 20 169.569 169.569 173.711 -4.142 19693 1897 1 13 . 1 1 20 20 CYS CA C 20 51.297 51.297 57.606 -6.309 19693 1898 1 13 . 1 1 20 20 CYS CB C 20 42.803 42.803 29.564 13.239 19693 1899 1 13 . 1 1 20 20 CYS H H 20 9.245 9.245 9.371 -0.126 19693 1900 1 13 . 1 1 21 21 GLU N N 21 128.078 128.078 125.533 2.545 19693 1901 1 13 . 1 1 21 21 GLU HA H 21 5.183 5.183 4.768 0.415 19693 1902 1 13 . 1 1 21 21 GLU C C 21 172.311 172.311 175.704 -3.393 19693 1903 1 13 . 1 1 21 21 GLU CA C 21 52.216 52.216 56.267 -4.051 19693 1904 1 13 . 1 1 21 21 GLU CB C 21 25.376 25.376 30.409 -5.033 19693 1905 1 13 . 1 1 21 21 GLU H H 21 8.981 8.981 8.699 0.282 19693 1906 1 13 . 1 1 22 22 ILE N N 22 127.676 127.676 128.698 -1.022 19693 1907 1 13 . 1 1 22 22 ILE HA H 22 4.245 4.245 4.516 -0.271 19693 1908 1 13 . 1 1 22 22 ILE C C 22 173.339 173.339 176.046 -2.707 19693 1909 1 13 . 1 1 22 22 ILE CA C 22 58.037 58.037 60.671 -2.634 19693 1910 1 13 . 1 1 22 22 ILE CB C 22 38.309 38.309 40.166 -1.857 19693 1911 1 13 . 1 1 22 22 ILE H H 22 8.884 8.884 9.266 -0.382 19693 1912 1 13 . 1 1 23 23 SER N N 23 123.963 123.963 123.550 0.413 19693 1913 1 13 . 1 1 23 23 SER HA H 23 4.016 4.016 4.123 -0.107 19693 1914 1 13 . 1 1 23 23 SER C C 23 172.285 172.285 175.049 -2.764 19693 1915 1 13 . 1 1 23 23 SER CA C 23 56.097 56.097 59.561 -3.464 19693 1916 1 13 . 1 1 23 23 SER CB C 23 59.837 59.837 62.032 -2.195 19693 1917 1 13 . 1 1 23 23 SER H H 23 9.442 9.442 9.412 0.030 19693 1918 1 13 . 1 1 24 24 GLY N N 24 104.009 104.009 107.274 -3.265 19693 1919 1 13 . 1 1 24 24 GLY C C 24 170.889 170.889 173.405 -2.516 19693 1920 1 13 . 1 1 24 24 GLY CA C 24 42.608 42.608 44.686 -2.078 19693 1921 1 13 . 1 1 24 24 GLY H H 24 8.570 8.570 8.136 0.434 19693 1922 1 13 . 1 1 25 25 ARG N N 25 120.867 120.867 121.651 -0.784 19693 1923 1 13 . 1 1 25 25 ARG HA H 25 4.513 4.513 4.570 -0.057 19693 1924 1 13 . 1 1 25 25 ARG C C 25 170.369 170.369 174.402 -4.033 19693 1925 1 13 . 1 1 25 25 ARG CA C 25 51.617 51.617 55.086 -3.469 19693 1926 1 13 . 1 1 25 25 ARG CB C 25 30.201 30.201 31.622 -1.421 19693 1927 1 13 . 1 1 25 25 ARG H H 25 7.822 7.822 8.030 -0.208 19693 1928 1 13 . 1 1 26 26 LEU N N 26 123.477 123.477 126.694 -3.217 19693 1929 1 13 . 1 1 26 26 LEU HA H 26 4.565 4.565 4.364 0.201 19693 1930 1 13 . 1 1 26 26 LEU C C 26 173.212 173.212 174.890 -1.678 19693 1931 1 13 . 1 1 26 26 LEU CA C 26 51.739 51.739 53.815 -2.076 19693 1932 1 13 . 1 1 26 26 LEU CB C 26 40.261 40.261 42.834 -2.573 19693 1933 1 13 . 1 1 26 26 LEU H H 26 8.091 8.091 8.569 -0.478 19693 1934 1 13 . 1 1 27 27 TYR N N 27 124.804 124.804 126.118 -1.314 19693 1935 1 13 . 1 1 27 27 TYR HA H 27 4.460 4.460 5.085 -0.625 19693 1936 1 13 . 1 1 27 27 TYR C C 27 172.476 172.476 175.236 -2.760 19693 1937 1 13 . 1 1 27 27 TYR CA C 27 54.890 54.890 57.009 -2.119 19693 1938 1 13 . 1 1 27 27 TYR CB C 27 37.029 37.029 40.024 -2.995 19693 1939 1 13 . 1 1 27 27 TYR H H 27 9.031 9.031 9.094 -0.063 19693 1940 1 13 . 1 1 28 28 ARG N N 28 123.114 123.114 122.903 0.211 19693 1941 1 13 . 1 1 28 28 ARG HA H 28 4.383 4.383 5.017 -0.634 19693 1942 1 13 . 1 1 28 28 ARG C C 28 171.981 171.981 175.006 -3.025 19693 1943 1 13 . 1 1 28 28 ARG CA C 28 53.833 53.833 54.870 -1.036 19693 1944 1 13 . 1 1 28 28 ARG CB C 28 28.603 28.603 33.198 -4.595 19693 1945 1 13 . 1 1 28 28 ARG H H 28 9.196 9.196 9.407 -0.211 19693 1946 1 13 . 1 1 29 29 LEU N N 29 120.619 120.619 123.013 -2.394 19693 1947 1 13 . 1 1 29 29 LEU HA H 29 4.982 4.982 5.290 -0.308 19693 1948 1 13 . 1 1 29 29 LEU C C 29 172.425 172.425 175.904 -3.479 19693 1949 1 13 . 1 1 29 29 LEU CA C 29 50.185 50.185 53.219 -3.034 19693 1950 1 13 . 1 1 29 29 LEU CB C 29 37.792 37.792 44.028 -6.236 19693 1951 1 13 . 1 1 29 29 LEU H H 29 8.329 8.329 9.030 -0.701 19693 1952 1 13 . 1 1 30 30 CYS N N 30 125.083 125.083 118.225 6.858 19693 1953 1 13 . 1 1 30 30 CYS HA H 30 5.287 5.287 5.623 -0.336 19693 1954 1 13 . 1 1 30 30 CYS C C 30 172.146 172.146 173.378 -1.232 19693 1955 1 13 . 1 1 30 30 CYS CA C 30 50.276 50.276 55.805 -5.529 19693 1956 1 13 . 1 1 30 30 CYS CB C 30 39.605 39.605 29.323 10.282 19693 1957 1 13 . 1 1 30 30 CYS H H 30 8.786 8.786 8.114 0.673 19693 1958 1 13 . 1 1 31 31 CYS N N 31 120.846 120.846 123.043 -2.197 19693 1959 1 13 . 1 1 31 31 CYS HA H 31 5.666 5.666 5.161 0.505 19693 1960 1 13 . 1 1 31 31 CYS C C 31 171.511 171.511 173.324 -1.813 19693 1961 1 13 . 1 1 31 31 CYS CA C 31 53.018 53.018 57.766 -4.748 19693 1962 1 13 . 1 1 31 31 CYS CB C 31 46.072 46.072 30.850 15.222 19693 1963 1 13 . 1 1 31 31 CYS H H 31 8.954 8.954 8.315 0.639 19693 1964 1 14 . 1 1 2 2 THR N N 2 115.586 115.586 116.687 -1.101 19693 1965 1 14 . 1 1 2 2 THR HA H 2 4.571 4.571 4.748 -0.177 19693 1966 1 14 . 1 1 2 2 THR C C 2 170.749 170.749 173.209 -2.460 19693 1967 1 14 . 1 1 2 2 THR CA C 2 59.977 59.977 62.373 -2.396 19693 1968 1 14 . 1 1 2 2 THR CB C 2 68.060 68.060 69.402 -1.342 19693 1969 1 14 . 1 1 2 2 THR H H 2 8.365 8.365 8.543 -0.178 19693 1970 1 14 . 1 1 3 3 CYS N N 3 122.021 122.021 125.177 -3.156 19693 1971 1 14 . 1 1 3 3 CYS HA H 3 5.529 5.529 5.218 0.311 19693 1972 1 14 . 1 1 3 3 CYS C C 3 168.490 168.490 173.896 -5.406 19693 1973 1 14 . 1 1 3 3 CYS CA C 3 52.424 52.424 57.163 -4.739 19693 1974 1 14 . 1 1 3 3 CYS CB C 3 47.514 47.514 31.444 16.070 19693 1975 1 14 . 1 1 3 3 CYS H H 3 8.279 8.279 8.821 -0.542 19693 1976 1 14 . 1 1 4 4 TYR N N 4 117.786 117.786 118.074 -0.288 19693 1977 1 14 . 1 1 4 4 TYR HA H 4 4.736 4.736 4.880 -0.144 19693 1978 1 14 . 1 1 4 4 TYR C C 4 172.133 172.133 173.467 -1.334 19693 1979 1 14 . 1 1 4 4 TYR CA C 4 53.772 53.772 56.193 -2.421 19693 1980 1 14 . 1 1 4 4 TYR CB C 4 39.602 39.602 39.197 0.405 19693 1981 1 14 . 1 1 4 4 TYR H H 4 8.632 8.632 8.308 0.324 19693 1982 1 14 . 1 1 5 5 CYS N N 5 118.451 118.451 122.195 -3.744 19693 1983 1 14 . 1 1 5 5 CYS HA H 5 5.397 5.397 5.392 0.005 19693 1984 1 14 . 1 1 5 5 CYS C C 5 171.739 171.739 175.073 -3.334 19693 1985 1 14 . 1 1 5 5 CYS CA C 5 53.833 53.833 58.102 -4.269 19693 1986 1 14 . 1 1 5 5 CYS CB C 5 41.545 41.545 26.680 14.865 19693 1987 1 14 . 1 1 5 5 CYS H H 5 8.902 8.902 8.577 0.325 19693 1988 1 14 . 1 1 6 6 ARG N N 6 123.236 123.236 124.961 -1.725 19693 1989 1 14 . 1 1 6 6 ARG HA H 6 5.018 5.018 4.998 0.020 19693 1990 1 14 . 1 1 6 6 ARG C C 6 172.945 172.945 176.865 -3.920 19693 1991 1 14 . 1 1 6 6 ARG CA C 6 51.799 51.799 54.799 -3.000 19693 1992 1 14 . 1 1 6 6 ARG CB C 6 30.528 30.528 32.131 -1.603 19693 1993 1 14 . 1 1 6 6 ARG H H 6 9.615 9.615 9.230 0.385 19693 1994 1 14 . 1 1 7 7 THR N N 7 113.052 113.052 112.243 0.809 19693 1995 1 14 . 1 1 7 7 THR HA H 7 4.349 4.349 4.453 -0.104 19693 1996 1 14 . 1 1 7 7 THR C C 7 173.351 173.351 174.699 -1.348 19693 1997 1 14 . 1 1 7 7 THR CA C 7 59.780 59.780 62.478 -2.698 19693 1998 1 14 . 1 1 7 7 THR CB C 7 66.445 66.445 69.355 -2.910 19693 1999 1 14 . 1 1 7 7 THR H H 7 8.713 8.713 8.621 0.092 19693 2000 1 14 . 1 1 8 8 GLY N N 8 111.886 111.886 108.440 3.446 19693 2001 1 14 . 1 1 8 8 GLY C C 8 169.531 169.531 172.751 -3.220 19693 2002 1 14 . 1 1 8 8 GLY CA C 8 41.730 41.730 44.196 -2.466 19693 2003 1 14 . 1 1 8 8 GLY H H 8 7.884 7.884 7.841 0.043 19693 2004 1 14 . 1 1 9 9 ARG N N 9 117.348 117.348 119.338 -1.990 19693 2005 1 14 . 1 1 9 9 ARG HA H 9 4.137 4.137 4.590 -0.453 19693 2006 1 14 . 1 1 9 9 ARG C C 9 174.633 174.633 174.538 0.095 19693 2007 1 14 . 1 1 9 9 ARG CA C 9 53.246 53.246 55.620 -2.374 19693 2008 1 14 . 1 1 9 9 ARG CB C 9 28.531 28.531 31.984 -3.453 19693 2009 1 14 . 1 1 9 9 ARG H H 9 8.031 8.031 8.166 -0.135 19693 2010 1 14 . 1 1 10 10 CYS N N 10 117.348 117.348 114.256 3.092 19693 2011 1 14 . 1 1 10 10 CYS HA H 10 4.714 4.714 4.992 -0.278 19693 2012 1 14 . 1 1 10 10 CYS C C 10 172.334 172.334 175.213 -2.879 19693 2013 1 14 . 1 1 10 10 CYS CA C 10 50.246 50.246 56.083 -5.837 19693 2014 1 14 . 1 1 10 10 CYS CB C 10 33.460 33.460 31.016 2.444 19693 2015 1 14 . 1 1 10 10 CYS H H 10 8.583 8.583 8.262 0.321 19693 2016 1 14 . 1 1 11 11 ALA HA H 11 4.296 4.296 4.160 0.136 19693 2017 1 14 . 1 1 11 11 ALA CA C 11 49.629 49.629 54.459 -4.830 19693 2018 1 14 . 1 1 11 11 ALA CB C 11 16.647 16.647 19.020 -2.373 19693 2019 1 14 . 1 1 12 12 THR CB C 12 67.089 67.089 68.865 -1.776 19693 2020 1 14 . 1 1 13 13 ARG HA H 13 4.073 4.073 4.372 -0.299 19693 2021 1 14 . 1 1 13 13 ARG CA C 13 55.450 55.450 56.293 -0.843 19693 2022 1 14 . 1 1 13 13 ARG CB C 13 25.699 25.699 30.534 -4.835 19693 2023 1 14 . 1 1 15 15 SER HA H 15 4.692 4.692 4.469 0.223 19693 2024 1 14 . 1 1 15 15 SER CB C 15 62.241 62.241 62.924 -0.683 19693 2025 1 14 . 1 1 16 16 LEU HA H 16 4.760 4.760 5.274 -0.514 19693 2026 1 14 . 1 1 16 16 LEU C C 16 175.052 175.052 175.959 -0.907 19693 2027 1 14 . 1 1 16 16 LEU CA C 16 54.175 54.175 54.140 0.035 19693 2028 1 14 . 1 1 16 16 LEU CB C 16 38.191 38.191 44.357 -6.166 19693 2029 1 14 . 1 1 17 17 SER N N 17 124.162 124.162 120.294 3.868 19693 2030 1 14 . 1 1 17 17 SER HA H 17 5.001 5.001 4.782 0.219 19693 2031 1 14 . 1 1 17 17 SER C C 17 169.036 169.036 174.818 -5.782 19693 2032 1 14 . 1 1 17 17 SER CA C 17 55.531 55.531 57.991 -2.460 19693 2033 1 14 . 1 1 17 17 SER CB C 17 63.316 63.316 64.529 -1.213 19693 2034 1 14 . 1 1 17 17 SER H H 17 9.441 9.441 9.277 0.164 19693 2035 1 14 . 1 1 18 18 GLY N N 18 108.239 108.239 109.534 -1.295 19693 2036 1 14 . 1 1 18 18 GLY C C 18 168.084 168.084 171.640 -3.556 19693 2037 1 14 . 1 1 18 18 GLY CA C 18 41.868 41.868 45.674 -3.806 19693 2038 1 14 . 1 1 18 18 GLY H H 18 7.359 7.359 7.472 -0.113 19693 2039 1 14 . 1 1 19 19 VAL N N 19 112.833 112.833 116.064 -3.231 19693 2040 1 14 . 1 1 19 19 VAL HA H 19 5.134 5.134 5.378 -0.244 19693 2041 1 14 . 1 1 19 19 VAL C C 19 172.336 172.336 174.997 -2.661 19693 2042 1 14 . 1 1 19 19 VAL CA C 19 57.390 57.390 59.741 -2.351 19693 2043 1 14 . 1 1 19 19 VAL CB C 19 33.578 33.578 35.508 -1.930 19693 2044 1 14 . 1 1 19 19 VAL H H 19 8.303 8.303 8.348 -0.045 19693 2045 1 14 . 1 1 20 20 CYS N N 20 120.436 120.436 122.579 -2.143 19693 2046 1 14 . 1 1 20 20 CYS HA H 20 4.884 4.884 4.871 0.013 19693 2047 1 14 . 1 1 20 20 CYS C C 20 169.569 169.569 174.363 -4.794 19693 2048 1 14 . 1 1 20 20 CYS CA C 20 51.297 51.297 57.638 -6.341 19693 2049 1 14 . 1 1 20 20 CYS CB C 20 42.803 42.803 28.937 13.866 19693 2050 1 14 . 1 1 20 20 CYS H H 20 9.245 9.245 9.173 0.072 19693 2051 1 14 . 1 1 21 21 GLU N N 21 128.078 128.078 126.473 1.605 19693 2052 1 14 . 1 1 21 21 GLU HA H 21 5.183 5.183 4.986 0.197 19693 2053 1 14 . 1 1 21 21 GLU C C 21 172.311 172.311 175.630 -3.319 19693 2054 1 14 . 1 1 21 21 GLU CA C 21 52.216 52.216 56.252 -4.037 19693 2055 1 14 . 1 1 21 21 GLU CB C 21 25.376 25.376 30.035 -4.659 19693 2056 1 14 . 1 1 21 21 GLU H H 21 8.981 8.981 8.689 0.292 19693 2057 1 14 . 1 1 22 22 ILE N N 22 127.676 127.676 128.170 -0.494 19693 2058 1 14 . 1 1 22 22 ILE HA H 22 4.245 4.245 4.521 -0.276 19693 2059 1 14 . 1 1 22 22 ILE C C 22 173.339 173.339 176.125 -2.786 19693 2060 1 14 . 1 1 22 22 ILE CA C 22 58.037 58.037 60.651 -2.614 19693 2061 1 14 . 1 1 22 22 ILE CB C 22 38.309 38.309 40.352 -2.043 19693 2062 1 14 . 1 1 22 22 ILE H H 22 8.884 8.884 9.172 -0.288 19693 2063 1 14 . 1 1 23 23 SER N N 23 123.963 123.963 122.852 1.111 19693 2064 1 14 . 1 1 23 23 SER HA H 23 4.016 4.016 4.144 -0.128 19693 2065 1 14 . 1 1 23 23 SER C C 23 172.285 172.285 175.137 -2.852 19693 2066 1 14 . 1 1 23 23 SER CA C 23 56.097 56.097 59.509 -3.412 19693 2067 1 14 . 1 1 23 23 SER CB C 23 59.837 59.837 61.796 -1.959 19693 2068 1 14 . 1 1 23 23 SER H H 23 9.442 9.442 9.406 0.036 19693 2069 1 14 . 1 1 24 24 GLY N N 24 104.009 104.009 106.013 -2.004 19693 2070 1 14 . 1 1 24 24 GLY C C 24 170.889 170.889 173.698 -2.809 19693 2071 1 14 . 1 1 24 24 GLY CA C 24 42.608 42.608 44.873 -2.265 19693 2072 1 14 . 1 1 24 24 GLY H H 24 8.570 8.570 8.329 0.241 19693 2073 1 14 . 1 1 25 25 ARG N N 25 120.867 120.867 120.887 -0.020 19693 2074 1 14 . 1 1 25 25 ARG HA H 25 4.513 4.513 4.602 -0.089 19693 2075 1 14 . 1 1 25 25 ARG C C 25 170.369 170.369 174.398 -4.029 19693 2076 1 14 . 1 1 25 25 ARG CA C 25 51.617 51.617 54.989 -3.372 19693 2077 1 14 . 1 1 25 25 ARG CB C 25 30.201 30.201 32.030 -1.829 19693 2078 1 14 . 1 1 25 25 ARG H H 25 7.822 7.822 8.080 -0.258 19693 2079 1 14 . 1 1 26 26 LEU N N 26 123.477 123.477 126.270 -2.793 19693 2080 1 14 . 1 1 26 26 LEU HA H 26 4.565 4.565 4.408 0.157 19693 2081 1 14 . 1 1 26 26 LEU C C 26 173.212 173.212 174.962 -1.750 19693 2082 1 14 . 1 1 26 26 LEU CA C 26 51.739 51.739 53.708 -1.969 19693 2083 1 14 . 1 1 26 26 LEU CB C 26 40.261 40.261 42.686 -2.425 19693 2084 1 14 . 1 1 26 26 LEU H H 26 8.091 8.091 8.562 -0.471 19693 2085 1 14 . 1 1 27 27 TYR N N 27 124.804 124.804 126.403 -1.599 19693 2086 1 14 . 1 1 27 27 TYR HA H 27 4.460 4.460 5.204 -0.744 19693 2087 1 14 . 1 1 27 27 TYR C C 27 172.476 172.476 175.491 -3.015 19693 2088 1 14 . 1 1 27 27 TYR CA C 27 54.890 54.890 56.934 -2.044 19693 2089 1 14 . 1 1 27 27 TYR CB C 27 37.029 37.029 39.210 -2.181 19693 2090 1 14 . 1 1 27 27 TYR H H 27 9.031 9.031 9.052 -0.021 19693 2091 1 14 . 1 1 28 28 ARG N N 28 123.114 123.114 122.918 0.196 19693 2092 1 14 . 1 1 28 28 ARG HA H 28 4.383 4.383 5.054 -0.671 19693 2093 1 14 . 1 1 28 28 ARG C C 28 171.981 171.981 175.098 -3.117 19693 2094 1 14 . 1 1 28 28 ARG CA C 28 53.833 53.833 54.998 -1.165 19693 2095 1 14 . 1 1 28 28 ARG CB C 28 28.603 28.603 33.102 -4.499 19693 2096 1 14 . 1 1 28 28 ARG H H 28 9.196 9.196 9.321 -0.125 19693 2097 1 14 . 1 1 29 29 LEU N N 29 120.619 120.619 121.891 -1.272 19693 2098 1 14 . 1 1 29 29 LEU HA H 29 4.982 4.982 5.377 -0.395 19693 2099 1 14 . 1 1 29 29 LEU C C 29 172.425 172.425 175.692 -3.267 19693 2100 1 14 . 1 1 29 29 LEU CA C 29 50.185 50.185 53.114 -2.929 19693 2101 1 14 . 1 1 29 29 LEU CB C 29 37.792 37.792 44.026 -6.234 19693 2102 1 14 . 1 1 29 29 LEU H H 29 8.329 8.329 8.853 -0.524 19693 2103 1 14 . 1 1 30 30 CYS N N 30 125.083 125.083 118.451 6.632 19693 2104 1 14 . 1 1 30 30 CYS HA H 30 5.287 5.287 4.988 0.299 19693 2105 1 14 . 1 1 30 30 CYS C C 30 172.146 172.146 173.024 -0.878 19693 2106 1 14 . 1 1 30 30 CYS CA C 30 50.276 50.276 56.070 -5.794 19693 2107 1 14 . 1 1 30 30 CYS CB C 30 39.605 39.605 28.652 10.953 19693 2108 1 14 . 1 1 30 30 CYS H H 30 8.786 8.786 8.129 0.657 19693 2109 1 14 . 1 1 31 31 CYS N N 31 120.846 120.846 122.356 -1.510 19693 2110 1 14 . 1 1 31 31 CYS HA H 31 5.666 5.666 5.172 0.494 19693 2111 1 14 . 1 1 31 31 CYS C C 31 171.511 171.511 173.246 -1.735 19693 2112 1 14 . 1 1 31 31 CYS CA C 31 53.018 53.018 58.131 -5.113 19693 2113 1 14 . 1 1 31 31 CYS CB C 31 46.072 46.072 30.911 15.161 19693 2114 1 14 . 1 1 31 31 CYS H H 31 8.954 8.954 8.386 0.568 19693 2115 1 15 . 1 1 2 2 THR N N 2 115.586 115.586 116.836 -1.250 19693 2116 1 15 . 1 1 2 2 THR HA H 2 4.571 4.571 4.746 -0.175 19693 2117 1 15 . 1 1 2 2 THR C C 2 170.749 170.749 173.094 -2.345 19693 2118 1 15 . 1 1 2 2 THR CA C 2 59.977 59.977 62.447 -2.470 19693 2119 1 15 . 1 1 2 2 THR CB C 2 68.060 68.060 69.458 -1.398 19693 2120 1 15 . 1 1 2 2 THR H H 2 8.365 8.365 8.464 -0.099 19693 2121 1 15 . 1 1 3 3 CYS N N 3 122.021 122.021 125.000 -2.979 19693 2122 1 15 . 1 1 3 3 CYS HA H 3 5.529 5.529 5.198 0.331 19693 2123 1 15 . 1 1 3 3 CYS C C 3 168.490 168.490 174.003 -5.513 19693 2124 1 15 . 1 1 3 3 CYS CA C 3 52.424 52.424 57.296 -4.872 19693 2125 1 15 . 1 1 3 3 CYS CB C 3 47.514 47.514 31.196 16.318 19693 2126 1 15 . 1 1 3 3 CYS H H 3 8.279 8.279 8.807 -0.528 19693 2127 1 15 . 1 1 4 4 TYR N N 4 117.786 117.786 119.230 -1.444 19693 2128 1 15 . 1 1 4 4 TYR HA H 4 4.736 4.736 4.924 -0.188 19693 2129 1 15 . 1 1 4 4 TYR C C 4 172.133 172.133 173.525 -1.392 19693 2130 1 15 . 1 1 4 4 TYR CA C 4 53.772 53.772 55.993 -2.221 19693 2131 1 15 . 1 1 4 4 TYR CB C 4 39.602 39.602 39.342 0.260 19693 2132 1 15 . 1 1 4 4 TYR H H 4 8.632 8.632 8.384 0.248 19693 2133 1 15 . 1 1 5 5 CYS N N 5 118.451 118.451 122.105 -3.654 19693 2134 1 15 . 1 1 5 5 CYS HA H 5 5.397 5.397 5.329 0.068 19693 2135 1 15 . 1 1 5 5 CYS C C 5 171.739 171.739 175.047 -3.308 19693 2136 1 15 . 1 1 5 5 CYS CA C 5 53.833 53.833 58.064 -4.231 19693 2137 1 15 . 1 1 5 5 CYS CB C 5 41.545 41.545 26.628 14.917 19693 2138 1 15 . 1 1 5 5 CYS H H 5 8.902 8.902 8.583 0.319 19693 2139 1 15 . 1 1 6 6 ARG N N 6 123.236 123.236 125.302 -2.066 19693 2140 1 15 . 1 1 6 6 ARG HA H 6 5.018 5.018 4.970 0.048 19693 2141 1 15 . 1 1 6 6 ARG C C 6 172.945 172.945 176.820 -3.875 19693 2142 1 15 . 1 1 6 6 ARG CA C 6 51.799 51.799 55.017 -3.218 19693 2143 1 15 . 1 1 6 6 ARG CB C 6 30.528 30.528 31.734 -1.206 19693 2144 1 15 . 1 1 6 6 ARG H H 6 9.615 9.615 9.188 0.427 19693 2145 1 15 . 1 1 7 7 THR N N 7 113.052 113.052 113.242 -0.190 19693 2146 1 15 . 1 1 7 7 THR HA H 7 4.349 4.349 4.386 -0.037 19693 2147 1 15 . 1 1 7 7 THR C C 7 173.351 173.351 174.825 -1.474 19693 2148 1 15 . 1 1 7 7 THR CA C 7 59.780 59.780 62.869 -3.089 19693 2149 1 15 . 1 1 7 7 THR CB C 7 66.445 66.445 69.088 -2.643 19693 2150 1 15 . 1 1 7 7 THR H H 7 8.713 8.713 8.678 0.035 19693 2151 1 15 . 1 1 8 8 GLY N N 8 111.886 111.886 108.778 3.108 19693 2152 1 15 . 1 1 8 8 GLY C C 8 169.531 169.531 172.586 -3.055 19693 2153 1 15 . 1 1 8 8 GLY CA C 8 41.730 41.730 44.932 -3.202 19693 2154 1 15 . 1 1 8 8 GLY H H 8 7.884 7.884 7.844 0.040 19693 2155 1 15 . 1 1 9 9 ARG N N 9 117.348 117.348 118.900 -1.552 19693 2156 1 15 . 1 1 9 9 ARG HA H 9 4.137 4.137 4.600 -0.463 19693 2157 1 15 . 1 1 9 9 ARG C C 9 174.633 174.633 174.035 0.598 19693 2158 1 15 . 1 1 9 9 ARG CA C 9 53.246 53.246 55.692 -2.446 19693 2159 1 15 . 1 1 9 9 ARG CB C 9 28.531 28.531 32.190 -3.659 19693 2160 1 15 . 1 1 9 9 ARG H H 9 8.031 8.031 8.119 -0.088 19693 2161 1 15 . 1 1 10 10 CYS N N 10 117.348 117.348 112.245 5.103 19693 2162 1 15 . 1 1 10 10 CYS HA H 10 4.714 4.714 4.964 -0.250 19693 2163 1 15 . 1 1 10 10 CYS C C 10 172.334 172.334 174.282 -1.948 19693 2164 1 15 . 1 1 10 10 CYS CA C 10 50.246 50.246 57.059 -6.813 19693 2165 1 15 . 1 1 10 10 CYS CB C 10 33.460 33.460 31.165 2.295 19693 2166 1 15 . 1 1 10 10 CYS H H 10 8.583 8.583 8.102 0.481 19693 2167 1 15 . 1 1 11 11 ALA HA H 11 4.296 4.296 4.413 -0.117 19693 2168 1 15 . 1 1 11 11 ALA CA C 11 49.629 49.629 53.235 -3.606 19693 2169 1 15 . 1 1 11 11 ALA CB C 11 16.647 16.647 17.432 -0.785 19693 2170 1 15 . 1 1 12 12 THR CB C 12 67.089 67.089 69.268 -2.179 19693 2171 1 15 . 1 1 13 13 ARG HA H 13 4.073 4.073 3.886 0.187 19693 2172 1 15 . 1 1 13 13 ARG CA C 13 55.450 55.450 58.850 -3.400 19693 2173 1 15 . 1 1 13 13 ARG CB C 13 25.699 25.699 28.341 -2.642 19693 2174 1 15 . 1 1 15 15 SER HA H 15 4.692 4.692 4.516 0.176 19693 2175 1 15 . 1 1 15 15 SER CB C 15 62.241 62.241 63.885 -1.644 19693 2176 1 15 . 1 1 16 16 LEU HA H 16 4.760 4.760 5.237 -0.477 19693 2177 1 15 . 1 1 16 16 LEU C C 16 175.052 175.052 175.602 -0.550 19693 2178 1 15 . 1 1 16 16 LEU CA C 16 54.175 54.175 54.180 -0.005 19693 2179 1 15 . 1 1 16 16 LEU CB C 16 38.191 38.191 44.651 -6.460 19693 2180 1 15 . 1 1 17 17 SER N N 17 124.162 124.162 120.594 3.568 19693 2181 1 15 . 1 1 17 17 SER HA H 17 5.001 5.001 4.704 0.297 19693 2182 1 15 . 1 1 17 17 SER C C 17 169.036 169.036 174.604 -5.568 19693 2183 1 15 . 1 1 17 17 SER CA C 17 55.531 55.531 58.269 -2.738 19693 2184 1 15 . 1 1 17 17 SER CB C 17 63.316 63.316 64.900 -1.584 19693 2185 1 15 . 1 1 17 17 SER H H 17 9.441 9.441 9.123 0.318 19693 2186 1 15 . 1 1 18 18 GLY N N 18 108.239 108.239 110.230 -1.991 19693 2187 1 15 . 1 1 18 18 GLY C C 18 168.084 168.084 171.769 -3.685 19693 2188 1 15 . 1 1 18 18 GLY CA C 18 41.868 41.868 45.658 -3.790 19693 2189 1 15 . 1 1 18 18 GLY H H 18 7.359 7.359 7.497 -0.138 19693 2190 1 15 . 1 1 19 19 VAL N N 19 112.833 112.833 115.889 -3.056 19693 2191 1 15 . 1 1 19 19 VAL HA H 19 5.134 5.134 5.412 -0.278 19693 2192 1 15 . 1 1 19 19 VAL C C 19 172.336 172.336 174.857 -2.521 19693 2193 1 15 . 1 1 19 19 VAL CA C 19 57.390 57.390 59.270 -1.881 19693 2194 1 15 . 1 1 19 19 VAL CB C 19 33.578 33.578 35.489 -1.911 19693 2195 1 15 . 1 1 19 19 VAL H H 19 8.303 8.303 8.378 -0.075 19693 2196 1 15 . 1 1 20 20 CYS N N 20 120.436 120.436 120.738 -0.302 19693 2197 1 15 . 1 1 20 20 CYS HA H 20 4.884 4.884 4.894 -0.010 19693 2198 1 15 . 1 1 20 20 CYS C C 20 169.569 169.569 174.404 -4.835 19693 2199 1 15 . 1 1 20 20 CYS CA C 20 51.297 51.297 57.691 -6.394 19693 2200 1 15 . 1 1 20 20 CYS CB C 20 42.803 42.803 28.926 13.877 19693 2201 1 15 . 1 1 20 20 CYS H H 20 9.245 9.245 9.177 0.068 19693 2202 1 15 . 1 1 21 21 GLU N N 21 128.078 128.078 126.525 1.553 19693 2203 1 15 . 1 1 21 21 GLU HA H 21 5.183 5.183 5.028 0.155 19693 2204 1 15 . 1 1 21 21 GLU C C 21 172.311 172.311 175.658 -3.347 19693 2205 1 15 . 1 1 21 21 GLU CA C 21 52.216 52.216 56.352 -4.136 19693 2206 1 15 . 1 1 21 21 GLU CB C 21 25.376 25.376 30.093 -4.717 19693 2207 1 15 . 1 1 21 21 GLU H H 21 8.981 8.981 8.656 0.325 19693 2208 1 15 . 1 1 22 22 ILE N N 22 127.676 127.676 127.764 -0.088 19693 2209 1 15 . 1 1 22 22 ILE HA H 22 4.245 4.245 4.551 -0.306 19693 2210 1 15 . 1 1 22 22 ILE C C 22 173.339 173.339 176.097 -2.758 19693 2211 1 15 . 1 1 22 22 ILE CA C 22 58.037 58.037 60.639 -2.602 19693 2212 1 15 . 1 1 22 22 ILE CB C 22 38.309 38.309 40.822 -2.513 19693 2213 1 15 . 1 1 22 22 ILE H H 22 8.884 8.884 9.268 -0.384 19693 2214 1 15 . 1 1 23 23 SER N N 23 123.963 123.963 122.454 1.509 19693 2215 1 15 . 1 1 23 23 SER HA H 23 4.016 4.016 4.136 -0.120 19693 2216 1 15 . 1 1 23 23 SER C C 23 172.285 172.285 175.087 -2.802 19693 2217 1 15 . 1 1 23 23 SER CA C 23 56.097 56.097 59.440 -3.343 19693 2218 1 15 . 1 1 23 23 SER CB C 23 59.837 59.837 61.954 -2.117 19693 2219 1 15 . 1 1 23 23 SER H H 23 9.442 9.442 9.291 0.151 19693 2220 1 15 . 1 1 24 24 GLY N N 24 104.009 104.009 107.362 -3.353 19693 2221 1 15 . 1 1 24 24 GLY C C 24 170.889 170.889 173.368 -2.479 19693 2222 1 15 . 1 1 24 24 GLY CA C 24 42.608 42.608 44.744 -2.136 19693 2223 1 15 . 1 1 24 24 GLY H H 24 8.570 8.570 8.247 0.323 19693 2224 1 15 . 1 1 25 25 ARG N N 25 120.867 120.867 121.143 -0.276 19693 2225 1 15 . 1 1 25 25 ARG HA H 25 4.513 4.513 4.611 -0.098 19693 2226 1 15 . 1 1 25 25 ARG C C 25 170.369 170.369 174.360 -3.991 19693 2227 1 15 . 1 1 25 25 ARG CA C 25 51.617 51.617 54.917 -3.300 19693 2228 1 15 . 1 1 25 25 ARG CB C 25 30.201 30.201 32.091 -1.890 19693 2229 1 15 . 1 1 25 25 ARG H H 25 7.822 7.822 8.055 -0.233 19693 2230 1 15 . 1 1 26 26 LEU N N 26 123.477 123.477 126.943 -3.466 19693 2231 1 15 . 1 1 26 26 LEU HA H 26 4.565 4.565 4.506 0.059 19693 2232 1 15 . 1 1 26 26 LEU C C 26 173.212 173.212 175.185 -1.973 19693 2233 1 15 . 1 1 26 26 LEU CA C 26 51.739 51.739 53.460 -1.721 19693 2234 1 15 . 1 1 26 26 LEU CB C 26 40.261 40.261 42.674 -2.413 19693 2235 1 15 . 1 1 26 26 LEU H H 26 8.091 8.091 8.569 -0.478 19693 2236 1 15 . 1 1 27 27 TYR N N 27 124.804 124.804 126.386 -1.582 19693 2237 1 15 . 1 1 27 27 TYR HA H 27 4.460 4.460 5.162 -0.702 19693 2238 1 15 . 1 1 27 27 TYR C C 27 172.476 172.476 175.477 -3.001 19693 2239 1 15 . 1 1 27 27 TYR CA C 27 54.890 54.890 57.029 -2.139 19693 2240 1 15 . 1 1 27 27 TYR CB C 27 37.029 37.029 39.595 -2.566 19693 2241 1 15 . 1 1 27 27 TYR H H 27 9.031 9.031 8.902 0.129 19693 2242 1 15 . 1 1 28 28 ARG N N 28 123.114 123.114 122.538 0.576 19693 2243 1 15 . 1 1 28 28 ARG HA H 28 4.383 4.383 5.005 -0.622 19693 2244 1 15 . 1 1 28 28 ARG C C 28 171.981 171.981 175.089 -3.108 19693 2245 1 15 . 1 1 28 28 ARG CA C 28 53.833 53.833 54.834 -1.001 19693 2246 1 15 . 1 1 28 28 ARG CB C 28 28.603 28.603 33.311 -4.708 19693 2247 1 15 . 1 1 28 28 ARG H H 28 9.196 9.196 9.377 -0.181 19693 2248 1 15 . 1 1 29 29 LEU N N 29 120.619 120.619 122.437 -1.818 19693 2249 1 15 . 1 1 29 29 LEU HA H 29 4.982 4.982 5.261 -0.279 19693 2250 1 15 . 1 1 29 29 LEU C C 29 172.425 172.425 175.723 -3.298 19693 2251 1 15 . 1 1 29 29 LEU CA C 29 50.185 50.185 53.236 -3.051 19693 2252 1 15 . 1 1 29 29 LEU CB C 29 37.792 37.792 43.043 -5.251 19693 2253 1 15 . 1 1 29 29 LEU H H 29 8.329 8.329 8.751 -0.422 19693 2254 1 15 . 1 1 30 30 CYS N N 30 125.083 125.083 119.169 5.914 19693 2255 1 15 . 1 1 30 30 CYS HA H 30 5.287 5.287 4.987 0.300 19693 2256 1 15 . 1 1 30 30 CYS C C 30 172.146 172.146 173.152 -1.006 19693 2257 1 15 . 1 1 30 30 CYS CA C 30 50.276 50.276 55.940 -5.664 19693 2258 1 15 . 1 1 30 30 CYS CB C 30 39.605 39.605 27.418 12.187 19693 2259 1 15 . 1 1 30 30 CYS H H 30 8.786 8.786 8.242 0.544 19693 2260 1 15 . 1 1 31 31 CYS N N 31 120.846 120.846 123.878 -3.032 19693 2261 1 15 . 1 1 31 31 CYS HA H 31 5.666 5.666 4.995 0.671 19693 2262 1 15 . 1 1 31 31 CYS C C 31 171.511 171.511 173.141 -1.630 19693 2263 1 15 . 1 1 31 31 CYS CA C 31 53.018 53.018 58.034 -5.016 19693 2264 1 15 . 1 1 31 31 CYS CB C 31 46.072 46.072 30.669 15.403 19693 2265 1 15 . 1 1 31 31 CYS H H 31 8.954 8.954 8.484 0.470 19693 2266 1 16 . 1 1 2 2 THR N N 2 115.586 115.586 117.862 -2.276 19693 2267 1 16 . 1 1 2 2 THR HA H 2 4.571 4.571 4.784 -0.213 19693 2268 1 16 . 1 1 2 2 THR C C 2 170.749 170.749 173.258 -2.509 19693 2269 1 16 . 1 1 2 2 THR CA C 2 59.977 59.977 62.035 -2.058 19693 2270 1 16 . 1 1 2 2 THR CB C 2 68.060 68.060 68.614 -0.554 19693 2271 1 16 . 1 1 2 2 THR H H 2 8.365 8.365 8.580 -0.215 19693 2272 1 16 . 1 1 3 3 CYS N N 3 122.021 122.021 125.924 -3.903 19693 2273 1 16 . 1 1 3 3 CYS HA H 3 5.529 5.529 5.220 0.309 19693 2274 1 16 . 1 1 3 3 CYS C C 3 168.490 168.490 174.106 -5.616 19693 2275 1 16 . 1 1 3 3 CYS CA C 3 52.424 52.424 57.421 -4.997 19693 2276 1 16 . 1 1 3 3 CYS CB C 3 47.514 47.514 31.217 16.297 19693 2277 1 16 . 1 1 3 3 CYS H H 3 8.279 8.279 9.009 -0.730 19693 2278 1 16 . 1 1 4 4 TYR N N 4 117.786 117.786 118.791 -1.005 19693 2279 1 16 . 1 1 4 4 TYR HA H 4 4.736 4.736 4.876 -0.140 19693 2280 1 16 . 1 1 4 4 TYR C C 4 172.133 172.133 173.446 -1.313 19693 2281 1 16 . 1 1 4 4 TYR CA C 4 53.772 53.772 56.279 -2.507 19693 2282 1 16 . 1 1 4 4 TYR CB C 4 39.602 39.602 39.228 0.374 19693 2283 1 16 . 1 1 4 4 TYR H H 4 8.632 8.632 8.254 0.378 19693 2284 1 16 . 1 1 5 5 CYS N N 5 118.451 118.451 122.228 -3.777 19693 2285 1 16 . 1 1 5 5 CYS HA H 5 5.397 5.397 5.315 0.082 19693 2286 1 16 . 1 1 5 5 CYS C C 5 171.739 171.739 175.023 -3.284 19693 2287 1 16 . 1 1 5 5 CYS CA C 5 53.833 53.833 58.006 -4.173 19693 2288 1 16 . 1 1 5 5 CYS CB C 5 41.545 41.545 26.667 14.878 19693 2289 1 16 . 1 1 5 5 CYS H H 5 8.902 8.902 8.603 0.299 19693 2290 1 16 . 1 1 6 6 ARG N N 6 123.236 123.236 125.494 -2.258 19693 2291 1 16 . 1 1 6 6 ARG HA H 6 5.018 5.018 4.872 0.146 19693 2292 1 16 . 1 1 6 6 ARG C C 6 172.945 172.945 176.713 -3.768 19693 2293 1 16 . 1 1 6 6 ARG CA C 6 51.799 51.799 54.956 -3.157 19693 2294 1 16 . 1 1 6 6 ARG CB C 6 30.528 30.528 31.684 -1.156 19693 2295 1 16 . 1 1 6 6 ARG H H 6 9.615 9.615 9.203 0.412 19693 2296 1 16 . 1 1 7 7 THR N N 7 113.052 113.052 113.327 -0.275 19693 2297 1 16 . 1 1 7 7 THR HA H 7 4.349 4.349 4.378 -0.029 19693 2298 1 16 . 1 1 7 7 THR C C 7 173.351 173.351 174.776 -1.425 19693 2299 1 16 . 1 1 7 7 THR CA C 7 59.780 59.780 62.525 -2.745 19693 2300 1 16 . 1 1 7 7 THR CB C 7 66.445 66.445 68.972 -2.526 19693 2301 1 16 . 1 1 7 7 THR H H 7 8.713 8.713 8.706 0.007 19693 2302 1 16 . 1 1 8 8 GLY N N 8 111.886 111.886 108.986 2.900 19693 2303 1 16 . 1 1 8 8 GLY C C 8 169.531 169.531 172.446 -2.915 19693 2304 1 16 . 1 1 8 8 GLY CA C 8 41.730 41.730 45.061 -3.331 19693 2305 1 16 . 1 1 8 8 GLY H H 8 7.884 7.884 7.873 0.011 19693 2306 1 16 . 1 1 9 9 ARG N N 9 117.348 117.348 118.949 -1.601 19693 2307 1 16 . 1 1 9 9 ARG HA H 9 4.137 4.137 4.684 -0.547 19693 2308 1 16 . 1 1 9 9 ARG C C 9 174.633 174.633 174.101 0.532 19693 2309 1 16 . 1 1 9 9 ARG CA C 9 53.246 53.246 55.423 -2.177 19693 2310 1 16 . 1 1 9 9 ARG CB C 9 28.531 28.531 32.543 -4.012 19693 2311 1 16 . 1 1 9 9 ARG H H 9 8.031 8.031 8.117 -0.086 19693 2312 1 16 . 1 1 10 10 CYS N N 10 117.348 117.348 112.784 4.564 19693 2313 1 16 . 1 1 10 10 CYS HA H 10 4.714 4.714 5.028 -0.314 19693 2314 1 16 . 1 1 10 10 CYS C C 10 172.334 172.334 174.986 -2.652 19693 2315 1 16 . 1 1 10 10 CYS CA C 10 50.246 50.246 56.617 -6.371 19693 2316 1 16 . 1 1 10 10 CYS CB C 10 33.460 33.460 31.343 2.117 19693 2317 1 16 . 1 1 10 10 CYS H H 10 8.583 8.583 8.117 0.466 19693 2318 1 16 . 1 1 11 11 ALA HA H 11 4.296 4.296 4.365 -0.069 19693 2319 1 16 . 1 1 11 11 ALA CA C 11 49.629 49.629 53.174 -3.545 19693 2320 1 16 . 1 1 11 11 ALA CB C 11 16.647 16.647 17.137 -0.491 19693 2321 1 16 . 1 1 12 12 THR CB C 12 67.089 67.089 68.998 -1.909 19693 2322 1 16 . 1 1 13 13 ARG HA H 13 4.073 4.073 3.846 0.227 19693 2323 1 16 . 1 1 13 13 ARG CA C 13 55.450 55.450 59.159 -3.709 19693 2324 1 16 . 1 1 13 13 ARG CB C 13 25.699 25.699 28.263 -2.564 19693 2325 1 16 . 1 1 15 15 SER HA H 15 4.692 4.692 4.413 0.279 19693 2326 1 16 . 1 1 15 15 SER CB C 15 62.241 62.241 62.893 -0.652 19693 2327 1 16 . 1 1 16 16 LEU HA H 16 4.760 4.760 5.179 -0.419 19693 2328 1 16 . 1 1 16 16 LEU C C 16 175.052 175.052 176.142 -1.090 19693 2329 1 16 . 1 1 16 16 LEU CA C 16 54.175 54.175 54.125 0.050 19693 2330 1 16 . 1 1 16 16 LEU CB C 16 38.191 38.191 44.809 -6.618 19693 2331 1 16 . 1 1 17 17 SER N N 17 124.162 124.162 120.810 3.352 19693 2332 1 16 . 1 1 17 17 SER HA H 17 5.001 5.001 4.707 0.294 19693 2333 1 16 . 1 1 17 17 SER C C 17 169.036 169.036 174.564 -5.528 19693 2334 1 16 . 1 1 17 17 SER CA C 17 55.531 55.531 57.954 -2.423 19693 2335 1 16 . 1 1 17 17 SER CB C 17 63.316 63.316 64.303 -0.987 19693 2336 1 16 . 1 1 17 17 SER H H 17 9.441 9.441 9.376 0.065 19693 2337 1 16 . 1 1 18 18 GLY N N 18 108.239 108.239 109.214 -0.975 19693 2338 1 16 . 1 1 18 18 GLY C C 18 168.084 168.084 171.670 -3.586 19693 2339 1 16 . 1 1 18 18 GLY CA C 18 41.868 41.868 45.518 -3.650 19693 2340 1 16 . 1 1 18 18 GLY H H 18 7.359 7.359 7.470 -0.111 19693 2341 1 16 . 1 1 19 19 VAL N N 19 112.833 112.833 114.877 -2.044 19693 2342 1 16 . 1 1 19 19 VAL HA H 19 5.134 5.134 5.406 -0.272 19693 2343 1 16 . 1 1 19 19 VAL C C 19 172.336 172.336 174.933 -2.597 19693 2344 1 16 . 1 1 19 19 VAL CA C 19 57.390 57.390 59.162 -1.772 19693 2345 1 16 . 1 1 19 19 VAL CB C 19 33.578 33.578 35.344 -1.766 19693 2346 1 16 . 1 1 19 19 VAL H H 19 8.303 8.303 8.315 -0.012 19693 2347 1 16 . 1 1 20 20 CYS N N 20 120.436 120.436 120.670 -0.234 19693 2348 1 16 . 1 1 20 20 CYS HA H 20 4.884 4.884 4.925 -0.041 19693 2349 1 16 . 1 1 20 20 CYS C C 20 169.569 169.569 173.620 -4.051 19693 2350 1 16 . 1 1 20 20 CYS CA C 20 51.297 51.297 57.470 -6.173 19693 2351 1 16 . 1 1 20 20 CYS CB C 20 42.803 42.803 29.771 13.032 19693 2352 1 16 . 1 1 20 20 CYS H H 20 9.245 9.245 9.390 -0.145 19693 2353 1 16 . 1 1 21 21 GLU N N 21 128.078 128.078 125.690 2.388 19693 2354 1 16 . 1 1 21 21 GLU HA H 21 5.183 5.183 4.830 0.353 19693 2355 1 16 . 1 1 21 21 GLU C C 21 172.311 172.311 175.721 -3.410 19693 2356 1 16 . 1 1 21 21 GLU CA C 21 52.216 52.216 56.177 -3.961 19693 2357 1 16 . 1 1 21 21 GLU CB C 21 25.376 25.376 30.215 -4.839 19693 2358 1 16 . 1 1 21 21 GLU H H 21 8.981 8.981 8.728 0.253 19693 2359 1 16 . 1 1 22 22 ILE N N 22 127.676 127.676 128.138 -0.462 19693 2360 1 16 . 1 1 22 22 ILE HA H 22 4.245 4.245 4.512 -0.267 19693 2361 1 16 . 1 1 22 22 ILE C C 22 173.339 173.339 176.056 -2.717 19693 2362 1 16 . 1 1 22 22 ILE CA C 22 58.037 58.037 60.715 -2.678 19693 2363 1 16 . 1 1 22 22 ILE CB C 22 38.309 38.309 40.156 -1.847 19693 2364 1 16 . 1 1 22 22 ILE H H 22 8.884 8.884 9.123 -0.239 19693 2365 1 16 . 1 1 23 23 SER N N 23 123.963 123.963 122.970 0.993 19693 2366 1 16 . 1 1 23 23 SER HA H 23 4.016 4.016 4.152 -0.136 19693 2367 1 16 . 1 1 23 23 SER C C 23 172.285 172.285 174.982 -2.697 19693 2368 1 16 . 1 1 23 23 SER CA C 23 56.097 56.097 59.461 -3.364 19693 2369 1 16 . 1 1 23 23 SER CB C 23 59.837 59.837 61.760 -1.923 19693 2370 1 16 . 1 1 23 23 SER H H 23 9.442 9.442 9.357 0.085 19693 2371 1 16 . 1 1 24 24 GLY N N 24 104.009 104.009 105.921 -1.912 19693 2372 1 16 . 1 1 24 24 GLY C C 24 170.889 170.889 173.751 -2.862 19693 2373 1 16 . 1 1 24 24 GLY CA C 24 42.608 42.608 44.894 -2.286 19693 2374 1 16 . 1 1 24 24 GLY H H 24 8.570 8.570 8.313 0.257 19693 2375 1 16 . 1 1 25 25 ARG N N 25 120.867 120.867 121.868 -1.001 19693 2376 1 16 . 1 1 25 25 ARG HA H 25 4.513 4.513 4.503 0.010 19693 2377 1 16 . 1 1 25 25 ARG C C 25 170.369 170.369 174.436 -4.067 19693 2378 1 16 . 1 1 25 25 ARG CA C 25 51.617 51.617 55.137 -3.520 19693 2379 1 16 . 1 1 25 25 ARG CB C 25 30.201 30.201 31.257 -1.056 19693 2380 1 16 . 1 1 25 25 ARG H H 25 7.822 7.822 8.000 -0.178 19693 2381 1 16 . 1 1 26 26 LEU N N 26 123.477 123.477 127.543 -4.066 19693 2382 1 16 . 1 1 26 26 LEU HA H 26 4.565 4.565 4.371 0.194 19693 2383 1 16 . 1 1 26 26 LEU C C 26 173.212 173.212 175.157 -1.945 19693 2384 1 16 . 1 1 26 26 LEU CA C 26 51.739 51.739 53.663 -1.924 19693 2385 1 16 . 1 1 26 26 LEU CB C 26 40.261 40.261 42.412 -2.151 19693 2386 1 16 . 1 1 26 26 LEU H H 26 8.091 8.091 8.638 -0.547 19693 2387 1 16 . 1 1 27 27 TYR N N 27 124.804 124.804 126.971 -2.167 19693 2388 1 16 . 1 1 27 27 TYR HA H 27 4.460 4.460 5.097 -0.637 19693 2389 1 16 . 1 1 27 27 TYR C C 27 172.476 172.476 175.535 -3.059 19693 2390 1 16 . 1 1 27 27 TYR CA C 27 54.890 54.890 57.387 -2.497 19693 2391 1 16 . 1 1 27 27 TYR CB C 27 37.029 37.029 39.377 -2.348 19693 2392 1 16 . 1 1 27 27 TYR H H 27 9.031 9.031 9.149 -0.118 19693 2393 1 16 . 1 1 28 28 ARG N N 28 123.114 123.114 122.621 0.493 19693 2394 1 16 . 1 1 28 28 ARG HA H 28 4.383 4.383 5.095 -0.712 19693 2395 1 16 . 1 1 28 28 ARG C C 28 171.981 171.981 175.064 -3.083 19693 2396 1 16 . 1 1 28 28 ARG CA C 28 53.833 53.833 54.831 -0.998 19693 2397 1 16 . 1 1 28 28 ARG CB C 28 28.603 28.603 33.347 -4.744 19693 2398 1 16 . 1 1 28 28 ARG H H 28 9.196 9.196 9.362 -0.166 19693 2399 1 16 . 1 1 29 29 LEU N N 29 120.619 120.619 121.318 -0.699 19693 2400 1 16 . 1 1 29 29 LEU HA H 29 4.982 4.982 5.354 -0.372 19693 2401 1 16 . 1 1 29 29 LEU C C 29 172.425 172.425 175.785 -3.360 19693 2402 1 16 . 1 1 29 29 LEU CA C 29 50.185 50.185 53.041 -2.856 19693 2403 1 16 . 1 1 29 29 LEU CB C 29 37.792 37.792 44.610 -6.818 19693 2404 1 16 . 1 1 29 29 LEU H H 29 8.329 8.329 8.937 -0.608 19693 2405 1 16 . 1 1 30 30 CYS N N 30 125.083 125.083 118.324 6.759 19693 2406 1 16 . 1 1 30 30 CYS HA H 30 5.287 5.287 4.915 0.372 19693 2407 1 16 . 1 1 30 30 CYS C C 30 172.146 172.146 172.952 -0.806 19693 2408 1 16 . 1 1 30 30 CYS CA C 30 50.276 50.276 56.240 -5.964 19693 2409 1 16 . 1 1 30 30 CYS CB C 30 39.605 39.605 28.352 11.253 19693 2410 1 16 . 1 1 30 30 CYS H H 30 8.786 8.786 8.156 0.630 19693 2411 1 16 . 1 1 31 31 CYS N N 31 120.846 120.846 123.701 -2.855 19693 2412 1 16 . 1 1 31 31 CYS HA H 31 5.666 5.666 5.100 0.566 19693 2413 1 16 . 1 1 31 31 CYS C C 31 171.511 171.511 173.733 -2.222 19693 2414 1 16 . 1 1 31 31 CYS CA C 31 53.018 53.018 58.110 -5.092 19693 2415 1 16 . 1 1 31 31 CYS CB C 31 46.072 46.072 30.781 15.291 19693 2416 1 16 . 1 1 31 31 CYS H H 31 8.954 8.954 8.783 0.171 19693 2417 1 17 . 1 1 2 2 THR N N 2 115.586 115.586 120.922 -5.336 19693 2418 1 17 . 1 1 2 2 THR HA H 2 4.571 4.571 4.742 -0.171 19693 2419 1 17 . 1 1 2 2 THR C C 2 170.749 170.749 173.502 -2.753 19693 2420 1 17 . 1 1 2 2 THR CA C 2 59.977 59.977 62.011 -2.034 19693 2421 1 17 . 1 1 2 2 THR CB C 2 68.060 68.060 68.414 -0.354 19693 2422 1 17 . 1 1 2 2 THR H H 2 8.365 8.365 8.856 -0.491 19693 2423 1 17 . 1 1 3 3 CYS N N 3 122.021 122.021 126.536 -4.515 19693 2424 1 17 . 1 1 3 3 CYS HA H 3 5.529 5.529 4.842 0.687 19693 2425 1 17 . 1 1 3 3 CYS C C 3 168.490 168.490 174.192 -5.702 19693 2426 1 17 . 1 1 3 3 CYS CA C 3 52.424 52.424 57.682 -5.258 19693 2427 1 17 . 1 1 3 3 CYS CB C 3 47.514 47.514 30.698 16.817 19693 2428 1 17 . 1 1 3 3 CYS H H 3 8.279 8.279 8.986 -0.707 19693 2429 1 17 . 1 1 4 4 TYR N N 4 117.786 117.786 118.980 -1.194 19693 2430 1 17 . 1 1 4 4 TYR HA H 4 4.736 4.736 4.840 -0.104 19693 2431 1 17 . 1 1 4 4 TYR C C 4 172.133 172.133 173.422 -1.289 19693 2432 1 17 . 1 1 4 4 TYR CA C 4 53.772 53.772 56.438 -2.666 19693 2433 1 17 . 1 1 4 4 TYR CB C 4 39.602 39.602 39.045 0.557 19693 2434 1 17 . 1 1 4 4 TYR H H 4 8.632 8.632 8.223 0.409 19693 2435 1 17 . 1 1 5 5 CYS N N 5 118.451 118.451 122.245 -3.794 19693 2436 1 17 . 1 1 5 5 CYS HA H 5 5.397 5.397 5.359 0.038 19693 2437 1 17 . 1 1 5 5 CYS C C 5 171.739 171.739 175.135 -3.396 19693 2438 1 17 . 1 1 5 5 CYS CA C 5 53.833 53.833 58.060 -4.227 19693 2439 1 17 . 1 1 5 5 CYS CB C 5 41.545 41.545 26.806 14.739 19693 2440 1 17 . 1 1 5 5 CYS H H 5 8.902 8.902 8.553 0.349 19693 2441 1 17 . 1 1 6 6 ARG N N 6 123.236 123.236 125.541 -2.305 19693 2442 1 17 . 1 1 6 6 ARG HA H 6 5.018 5.018 4.862 0.156 19693 2443 1 17 . 1 1 6 6 ARG C C 6 172.945 172.945 176.784 -3.839 19693 2444 1 17 . 1 1 6 6 ARG CA C 6 51.799 51.799 54.975 -3.176 19693 2445 1 17 . 1 1 6 6 ARG CB C 6 30.528 30.528 31.861 -1.333 19693 2446 1 17 . 1 1 6 6 ARG H H 6 9.615 9.615 9.174 0.441 19693 2447 1 17 . 1 1 7 7 THR N N 7 113.052 113.052 112.273 0.779 19693 2448 1 17 . 1 1 7 7 THR HA H 7 4.349 4.349 4.276 0.073 19693 2449 1 17 . 1 1 7 7 THR C C 7 173.351 173.351 174.830 -1.479 19693 2450 1 17 . 1 1 7 7 THR CA C 7 59.780 59.780 63.072 -3.292 19693 2451 1 17 . 1 1 7 7 THR CB C 7 66.445 66.445 69.144 -2.700 19693 2452 1 17 . 1 1 7 7 THR H H 7 8.713 8.713 8.536 0.177 19693 2453 1 17 . 1 1 8 8 GLY N N 8 111.886 111.886 108.502 3.384 19693 2454 1 17 . 1 1 8 8 GLY C C 8 169.531 169.531 172.578 -3.047 19693 2455 1 17 . 1 1 8 8 GLY CA C 8 41.730 41.730 44.595 -2.865 19693 2456 1 17 . 1 1 8 8 GLY H H 8 7.884 7.884 7.819 0.065 19693 2457 1 17 . 1 1 9 9 ARG N N 9 117.348 117.348 118.823 -1.475 19693 2458 1 17 . 1 1 9 9 ARG HA H 9 4.137 4.137 4.939 -0.802 19693 2459 1 17 . 1 1 9 9 ARG C C 9 174.633 174.633 175.026 -0.393 19693 2460 1 17 . 1 1 9 9 ARG CA C 9 53.246 53.246 55.505 -2.259 19693 2461 1 17 . 1 1 9 9 ARG CB C 9 28.531 28.531 32.361 -3.830 19693 2462 1 17 . 1 1 9 9 ARG H H 9 8.031 8.031 8.176 -0.145 19693 2463 1 17 . 1 1 10 10 CYS N N 10 117.348 117.348 114.052 3.296 19693 2464 1 17 . 1 1 10 10 CYS HA H 10 4.714 4.714 5.108 -0.394 19693 2465 1 17 . 1 1 10 10 CYS C C 10 172.334 172.334 175.453 -3.119 19693 2466 1 17 . 1 1 10 10 CYS CA C 10 50.246 50.246 56.219 -5.973 19693 2467 1 17 . 1 1 10 10 CYS CB C 10 33.460 33.460 31.006 2.454 19693 2468 1 17 . 1 1 10 10 CYS H H 10 8.583 8.583 8.011 0.572 19693 2469 1 17 . 1 1 11 11 ALA HA H 11 4.296 4.296 4.100 0.196 19693 2470 1 17 . 1 1 11 11 ALA CA C 11 49.629 49.629 54.667 -5.038 19693 2471 1 17 . 1 1 11 11 ALA CB C 11 16.647 16.647 18.758 -2.111 19693 2472 1 17 . 1 1 12 12 THR CB C 12 67.089 67.089 69.459 -2.370 19693 2473 1 17 . 1 1 13 13 ARG HA H 13 4.073 4.073 3.829 0.244 19693 2474 1 17 . 1 1 13 13 ARG CA C 13 55.450 55.450 57.417 -1.967 19693 2475 1 17 . 1 1 13 13 ARG CB C 13 25.699 25.699 29.533 -3.834 19693 2476 1 17 . 1 1 15 15 SER HA H 15 4.692 4.692 4.451 0.241 19693 2477 1 17 . 1 1 15 15 SER CB C 15 62.241 62.241 62.780 -0.539 19693 2478 1 17 . 1 1 16 16 LEU HA H 16 4.760 4.760 5.325 -0.565 19693 2479 1 17 . 1 1 16 16 LEU C C 16 175.052 175.052 176.207 -1.155 19693 2480 1 17 . 1 1 16 16 LEU CA C 16 54.175 54.175 54.090 0.085 19693 2481 1 17 . 1 1 16 16 LEU CB C 16 38.191 38.191 44.489 -6.298 19693 2482 1 17 . 1 1 17 17 SER N N 17 124.162 124.162 120.859 3.303 19693 2483 1 17 . 1 1 17 17 SER HA H 17 5.001 5.001 4.740 0.261 19693 2484 1 17 . 1 1 17 17 SER C C 17 169.036 169.036 174.896 -5.860 19693 2485 1 17 . 1 1 17 17 SER CA C 17 55.531 55.531 58.141 -2.610 19693 2486 1 17 . 1 1 17 17 SER CB C 17 63.316 63.316 64.391 -1.075 19693 2487 1 17 . 1 1 17 17 SER H H 17 9.441 9.441 9.251 0.190 19693 2488 1 17 . 1 1 18 18 GLY N N 18 108.239 108.239 109.339 -1.100 19693 2489 1 17 . 1 1 18 18 GLY C C 18 168.084 168.084 171.732 -3.648 19693 2490 1 17 . 1 1 18 18 GLY CA C 18 41.868 41.868 45.363 -3.495 19693 2491 1 17 . 1 1 18 18 GLY H H 18 7.359 7.359 7.432 -0.073 19693 2492 1 17 . 1 1 19 19 VAL N N 19 112.833 112.833 114.710 -1.877 19693 2493 1 17 . 1 1 19 19 VAL HA H 19 5.134 5.134 5.421 -0.287 19693 2494 1 17 . 1 1 19 19 VAL C C 19 172.336 172.336 174.755 -2.419 19693 2495 1 17 . 1 1 19 19 VAL CA C 19 57.390 57.390 59.345 -1.955 19693 2496 1 17 . 1 1 19 19 VAL CB C 19 33.578 33.578 35.639 -2.061 19693 2497 1 17 . 1 1 19 19 VAL H H 19 8.303 8.303 8.403 -0.100 19693 2498 1 17 . 1 1 20 20 CYS N N 20 120.436 120.436 120.262 0.174 19693 2499 1 17 . 1 1 20 20 CYS HA H 20 4.884 4.884 4.933 -0.049 19693 2500 1 17 . 1 1 20 20 CYS C C 20 169.569 169.569 173.822 -4.253 19693 2501 1 17 . 1 1 20 20 CYS CA C 20 51.297 51.297 57.465 -6.168 19693 2502 1 17 . 1 1 20 20 CYS CB C 20 42.803 42.803 29.457 13.346 19693 2503 1 17 . 1 1 20 20 CYS H H 20 9.245 9.245 9.377 -0.132 19693 2504 1 17 . 1 1 21 21 GLU N N 21 128.078 128.078 125.757 2.321 19693 2505 1 17 . 1 1 21 21 GLU HA H 21 5.183 5.183 4.880 0.303 19693 2506 1 17 . 1 1 21 21 GLU C C 21 172.311 172.311 175.758 -3.447 19693 2507 1 17 . 1 1 21 21 GLU CA C 21 52.216 52.216 56.311 -4.095 19693 2508 1 17 . 1 1 21 21 GLU CB C 21 25.376 25.376 30.529 -5.154 19693 2509 1 17 . 1 1 21 21 GLU H H 21 8.981 8.981 8.680 0.301 19693 2510 1 17 . 1 1 22 22 ILE N N 22 127.676 127.676 128.426 -0.750 19693 2511 1 17 . 1 1 22 22 ILE HA H 22 4.245 4.245 4.514 -0.269 19693 2512 1 17 . 1 1 22 22 ILE C C 22 173.339 173.339 175.925 -2.586 19693 2513 1 17 . 1 1 22 22 ILE CA C 22 58.037 58.037 60.673 -2.636 19693 2514 1 17 . 1 1 22 22 ILE CB C 22 38.309 38.309 40.499 -2.190 19693 2515 1 17 . 1 1 22 22 ILE H H 22 8.884 8.884 9.293 -0.409 19693 2516 1 17 . 1 1 23 23 SER N N 23 123.963 123.963 123.077 0.886 19693 2517 1 17 . 1 1 23 23 SER HA H 23 4.016 4.016 4.137 -0.121 19693 2518 1 17 . 1 1 23 23 SER C C 23 172.285 172.285 175.075 -2.790 19693 2519 1 17 . 1 1 23 23 SER CA C 23 56.097 56.097 59.478 -3.381 19693 2520 1 17 . 1 1 23 23 SER CB C 23 59.837 59.837 61.740 -1.903 19693 2521 1 17 . 1 1 23 23 SER H H 23 9.442 9.442 9.367 0.075 19693 2522 1 17 . 1 1 24 24 GLY N N 24 104.009 104.009 105.937 -1.928 19693 2523 1 17 . 1 1 24 24 GLY C C 24 170.889 170.889 173.705 -2.816 19693 2524 1 17 . 1 1 24 24 GLY CA C 24 42.608 42.608 44.791 -2.183 19693 2525 1 17 . 1 1 24 24 GLY H H 24 8.570 8.570 8.277 0.293 19693 2526 1 17 . 1 1 25 25 ARG N N 25 120.867 120.867 121.477 -0.610 19693 2527 1 17 . 1 1 25 25 ARG HA H 25 4.513 4.513 4.588 -0.075 19693 2528 1 17 . 1 1 25 25 ARG C C 25 170.369 170.369 174.533 -4.164 19693 2529 1 17 . 1 1 25 25 ARG CA C 25 51.617 51.617 55.192 -3.575 19693 2530 1 17 . 1 1 25 25 ARG CB C 25 30.201 30.201 31.756 -1.555 19693 2531 1 17 . 1 1 25 25 ARG H H 25 7.822 7.822 7.962 -0.140 19693 2532 1 17 . 1 1 26 26 LEU N N 26 123.477 123.477 126.734 -3.257 19693 2533 1 17 . 1 1 26 26 LEU HA H 26 4.565 4.565 4.436 0.129 19693 2534 1 17 . 1 1 26 26 LEU C C 26 173.212 173.212 174.895 -1.683 19693 2535 1 17 . 1 1 26 26 LEU CA C 26 51.739 51.739 53.685 -1.946 19693 2536 1 17 . 1 1 26 26 LEU CB C 26 40.261 40.261 42.994 -2.733 19693 2537 1 17 . 1 1 26 26 LEU H H 26 8.091 8.091 8.572 -0.481 19693 2538 1 17 . 1 1 27 27 TYR N N 27 124.804 124.804 126.096 -1.292 19693 2539 1 17 . 1 1 27 27 TYR HA H 27 4.460 4.460 5.278 -0.818 19693 2540 1 17 . 1 1 27 27 TYR C C 27 172.476 172.476 175.448 -2.972 19693 2541 1 17 . 1 1 27 27 TYR CA C 27 54.890 54.890 56.971 -2.081 19693 2542 1 17 . 1 1 27 27 TYR CB C 27 37.029 37.029 39.808 -2.779 19693 2543 1 17 . 1 1 27 27 TYR H H 27 9.031 9.031 9.071 -0.040 19693 2544 1 17 . 1 1 28 28 ARG N N 28 123.114 123.114 122.629 0.485 19693 2545 1 17 . 1 1 28 28 ARG HA H 28 4.383 4.383 5.168 -0.785 19693 2546 1 17 . 1 1 28 28 ARG C C 28 171.981 171.981 175.061 -3.080 19693 2547 1 17 . 1 1 28 28 ARG CA C 28 53.833 53.833 54.668 -0.835 19693 2548 1 17 . 1 1 28 28 ARG CB C 28 28.603 28.603 33.488 -4.885 19693 2549 1 17 . 1 1 28 28 ARG H H 28 9.196 9.196 9.371 -0.175 19693 2550 1 17 . 1 1 29 29 LEU N N 29 120.619 120.619 121.604 -0.985 19693 2551 1 17 . 1 1 29 29 LEU HA H 29 4.982 4.982 5.204 -0.222 19693 2552 1 17 . 1 1 29 29 LEU C C 29 172.425 172.425 175.606 -3.181 19693 2553 1 17 . 1 1 29 29 LEU CA C 29 50.185 50.185 53.250 -3.065 19693 2554 1 17 . 1 1 29 29 LEU CB C 29 37.792 37.792 43.666 -5.873 19693 2555 1 17 . 1 1 29 29 LEU H H 29 8.329 8.329 8.719 -0.390 19693 2556 1 17 . 1 1 30 30 CYS N N 30 125.083 125.083 118.862 6.221 19693 2557 1 17 . 1 1 30 30 CYS HA H 30 5.287 5.287 4.914 0.373 19693 2558 1 17 . 1 1 30 30 CYS C C 30 172.146 172.146 172.977 -0.831 19693 2559 1 17 . 1 1 30 30 CYS CA C 30 50.276 50.276 56.300 -6.024 19693 2560 1 17 . 1 1 30 30 CYS CB C 30 39.605 39.605 27.842 11.763 19693 2561 1 17 . 1 1 30 30 CYS H H 30 8.786 8.786 8.206 0.580 19693 2562 1 17 . 1 1 31 31 CYS N N 31 120.846 120.846 123.418 -2.572 19693 2563 1 17 . 1 1 31 31 CYS HA H 31 5.666 5.666 5.009 0.657 19693 2564 1 17 . 1 1 31 31 CYS C C 31 171.511 171.511 173.854 -2.343 19693 2565 1 17 . 1 1 31 31 CYS CA C 31 53.018 53.018 58.126 -5.107 19693 2566 1 17 . 1 1 31 31 CYS CB C 31 46.072 46.072 30.167 15.905 19693 2567 1 17 . 1 1 31 31 CYS H H 31 8.954 8.954 8.621 0.333 19693 2568 1 18 . 1 1 2 2 THR N N 2 115.586 115.586 119.197 -3.611 19693 2569 1 18 . 1 1 2 2 THR HA H 2 4.571 4.571 4.760 -0.189 19693 2570 1 18 . 1 1 2 2 THR C C 2 170.749 170.749 173.506 -2.757 19693 2571 1 18 . 1 1 2 2 THR CA C 2 59.977 59.977 62.276 -2.299 19693 2572 1 18 . 1 1 2 2 THR CB C 2 68.060 68.060 68.899 -0.839 19693 2573 1 18 . 1 1 2 2 THR H H 2 8.365 8.365 8.671 -0.306 19693 2574 1 18 . 1 1 3 3 CYS N N 3 122.021 122.021 124.561 -2.540 19693 2575 1 18 . 1 1 3 3 CYS HA H 3 5.529 5.529 5.137 0.392 19693 2576 1 18 . 1 1 3 3 CYS C C 3 168.490 168.490 173.560 -5.070 19693 2577 1 18 . 1 1 3 3 CYS CA C 3 52.424 52.424 57.144 -4.720 19693 2578 1 18 . 1 1 3 3 CYS CB C 3 47.514 47.514 31.474 16.040 19693 2579 1 18 . 1 1 3 3 CYS H H 3 8.279 8.279 8.937 -0.658 19693 2580 1 18 . 1 1 4 4 TYR N N 4 117.786 117.786 117.432 0.354 19693 2581 1 18 . 1 1 4 4 TYR HA H 4 4.736 4.736 4.871 -0.135 19693 2582 1 18 . 1 1 4 4 TYR C C 4 172.133 172.133 173.428 -1.295 19693 2583 1 18 . 1 1 4 4 TYR CA C 4 53.772 53.772 56.387 -2.615 19693 2584 1 18 . 1 1 4 4 TYR CB C 4 39.602 39.602 39.088 0.514 19693 2585 1 18 . 1 1 4 4 TYR H H 4 8.632 8.632 8.269 0.363 19693 2586 1 18 . 1 1 5 5 CYS N N 5 118.451 118.451 122.016 -3.565 19693 2587 1 18 . 1 1 5 5 CYS HA H 5 5.397 5.397 5.372 0.025 19693 2588 1 18 . 1 1 5 5 CYS C C 5 171.739 171.739 175.036 -3.297 19693 2589 1 18 . 1 1 5 5 CYS CA C 5 53.833 53.833 58.108 -4.275 19693 2590 1 18 . 1 1 5 5 CYS CB C 5 41.545 41.545 26.674 14.871 19693 2591 1 18 . 1 1 5 5 CYS H H 5 8.902 8.902 8.538 0.364 19693 2592 1 18 . 1 1 6 6 ARG N N 6 123.236 123.236 126.350 -3.114 19693 2593 1 18 . 1 1 6 6 ARG HA H 6 5.018 5.018 4.869 0.149 19693 2594 1 18 . 1 1 6 6 ARG C C 6 172.945 172.945 176.679 -3.734 19693 2595 1 18 . 1 1 6 6 ARG CA C 6 51.799 51.799 54.891 -3.092 19693 2596 1 18 . 1 1 6 6 ARG CB C 6 30.528 30.528 32.211 -1.683 19693 2597 1 18 . 1 1 6 6 ARG H H 6 9.615 9.615 9.226 0.389 19693 2598 1 18 . 1 1 7 7 THR N N 7 113.052 113.052 113.424 -0.372 19693 2599 1 18 . 1 1 7 7 THR HA H 7 4.349 4.349 4.601 -0.252 19693 2600 1 18 . 1 1 7 7 THR C C 7 173.351 173.351 174.769 -1.418 19693 2601 1 18 . 1 1 7 7 THR CA C 7 59.780 59.780 62.517 -2.737 19693 2602 1 18 . 1 1 7 7 THR CB C 7 66.445 66.445 69.447 -3.002 19693 2603 1 18 . 1 1 7 7 THR H H 7 8.713 8.713 8.641 0.072 19693 2604 1 18 . 1 1 8 8 GLY N N 8 111.886 111.886 109.094 2.792 19693 2605 1 18 . 1 1 8 8 GLY C C 8 169.531 169.531 172.781 -3.250 19693 2606 1 18 . 1 1 8 8 GLY CA C 8 41.730 41.730 44.333 -2.603 19693 2607 1 18 . 1 1 8 8 GLY H H 8 7.884 7.884 7.617 0.267 19693 2608 1 18 . 1 1 9 9 ARG N N 9 117.348 117.348 118.928 -1.580 19693 2609 1 18 . 1 1 9 9 ARG HA H 9 4.137 4.137 4.560 -0.423 19693 2610 1 18 . 1 1 9 9 ARG C C 9 174.633 174.633 175.210 -0.577 19693 2611 1 18 . 1 1 9 9 ARG CA C 9 53.246 53.246 55.602 -2.356 19693 2612 1 18 . 1 1 9 9 ARG CB C 9 28.531 28.531 32.182 -3.651 19693 2613 1 18 . 1 1 9 9 ARG H H 9 8.031 8.031 8.446 -0.415 19693 2614 1 18 . 1 1 10 10 CYS N N 10 117.348 117.348 116.169 1.179 19693 2615 1 18 . 1 1 10 10 CYS HA H 10 4.714 4.714 5.054 -0.340 19693 2616 1 18 . 1 1 10 10 CYS C C 10 172.334 172.334 175.366 -3.032 19693 2617 1 18 . 1 1 10 10 CYS CA C 10 50.246 50.246 55.867 -5.621 19693 2618 1 18 . 1 1 10 10 CYS CB C 10 33.460 33.460 30.836 2.624 19693 2619 1 18 . 1 1 10 10 CYS H H 10 8.583 8.583 8.259 0.324 19693 2620 1 18 . 1 1 11 11 ALA HA H 11 4.296 4.296 4.225 0.071 19693 2621 1 18 . 1 1 11 11 ALA CA C 11 49.629 49.629 54.247 -4.618 19693 2622 1 18 . 1 1 11 11 ALA CB C 11 16.647 16.647 19.201 -2.554 19693 2623 1 18 . 1 1 12 12 THR CB C 12 67.089 67.089 68.997 -1.908 19693 2624 1 18 . 1 1 13 13 ARG HA H 13 4.073 4.073 4.257 -0.184 19693 2625 1 18 . 1 1 13 13 ARG CA C 13 55.450 55.450 56.316 -0.866 19693 2626 1 18 . 1 1 13 13 ARG CB C 13 25.699 25.699 31.074 -5.375 19693 2627 1 18 . 1 1 15 15 SER HA H 15 4.692 4.692 4.470 0.222 19693 2628 1 18 . 1 1 15 15 SER CB C 15 62.241 62.241 62.873 -0.632 19693 2629 1 18 . 1 1 16 16 LEU HA H 16 4.760 4.760 5.214 -0.454 19693 2630 1 18 . 1 1 16 16 LEU C C 16 175.052 175.052 176.068 -1.016 19693 2631 1 18 . 1 1 16 16 LEU CA C 16 54.175 54.175 54.001 0.174 19693 2632 1 18 . 1 1 16 16 LEU CB C 16 38.191 38.191 44.442 -6.251 19693 2633 1 18 . 1 1 17 17 SER N N 17 124.162 124.162 121.060 3.102 19693 2634 1 18 . 1 1 17 17 SER HA H 17 5.001 5.001 4.688 0.314 19693 2635 1 18 . 1 1 17 17 SER C C 17 169.036 169.036 174.989 -5.953 19693 2636 1 18 . 1 1 17 17 SER CA C 17 55.531 55.531 58.288 -2.757 19693 2637 1 18 . 1 1 17 17 SER CB C 17 63.316 63.316 64.282 -0.966 19693 2638 1 18 . 1 1 17 17 SER H H 17 9.441 9.441 9.232 0.209 19693 2639 1 18 . 1 1 18 18 GLY N N 18 108.239 108.239 109.554 -1.315 19693 2640 1 18 . 1 1 18 18 GLY C C 18 168.084 168.084 171.868 -3.784 19693 2641 1 18 . 1 1 18 18 GLY CA C 18 41.868 41.868 45.386 -3.518 19693 2642 1 18 . 1 1 18 18 GLY H H 18 7.359 7.359 7.493 -0.134 19693 2643 1 18 . 1 1 19 19 VAL N N 19 112.833 112.833 115.138 -2.305 19693 2644 1 18 . 1 1 19 19 VAL HA H 19 5.134 5.134 5.412 -0.278 19693 2645 1 18 . 1 1 19 19 VAL C C 19 172.336 172.336 174.719 -2.383 19693 2646 1 18 . 1 1 19 19 VAL CA C 19 57.390 57.390 58.653 -1.263 19693 2647 1 18 . 1 1 19 19 VAL CB C 19 33.578 33.578 35.107 -1.529 19693 2648 1 18 . 1 1 19 19 VAL H H 19 8.303 8.303 8.343 -0.040 19693 2649 1 18 . 1 1 20 20 CYS N N 20 120.436 120.436 120.313 0.123 19693 2650 1 18 . 1 1 20 20 CYS HA H 20 4.884 4.884 4.947 -0.063 19693 2651 1 18 . 1 1 20 20 CYS C C 20 169.569 169.569 173.624 -4.055 19693 2652 1 18 . 1 1 20 20 CYS CA C 20 51.297 51.297 57.686 -6.389 19693 2653 1 18 . 1 1 20 20 CYS CB C 20 42.803 42.803 29.841 12.962 19693 2654 1 18 . 1 1 20 20 CYS H H 20 9.245 9.245 9.382 -0.137 19693 2655 1 18 . 1 1 21 21 GLU N N 21 128.078 128.078 125.506 2.572 19693 2656 1 18 . 1 1 21 21 GLU HA H 21 5.183 5.183 4.916 0.267 19693 2657 1 18 . 1 1 21 21 GLU C C 21 172.311 172.311 175.753 -3.442 19693 2658 1 18 . 1 1 21 21 GLU CA C 21 52.216 52.216 56.285 -4.069 19693 2659 1 18 . 1 1 21 21 GLU CB C 21 25.376 25.376 30.564 -5.189 19693 2660 1 18 . 1 1 21 21 GLU H H 21 8.981 8.981 8.670 0.311 19693 2661 1 18 . 1 1 22 22 ILE N N 22 127.676 127.676 128.170 -0.494 19693 2662 1 18 . 1 1 22 22 ILE HA H 22 4.245 4.245 4.540 -0.295 19693 2663 1 18 . 1 1 22 22 ILE C C 22 173.339 173.339 175.995 -2.656 19693 2664 1 18 . 1 1 22 22 ILE CA C 22 58.037 58.037 60.685 -2.648 19693 2665 1 18 . 1 1 22 22 ILE CB C 22 38.309 38.309 40.630 -2.321 19693 2666 1 18 . 1 1 22 22 ILE H H 22 8.884 8.884 9.237 -0.353 19693 2667 1 18 . 1 1 23 23 SER N N 23 123.963 123.963 122.476 1.487 19693 2668 1 18 . 1 1 23 23 SER HA H 23 4.016 4.016 4.158 -0.142 19693 2669 1 18 . 1 1 23 23 SER C C 23 172.285 172.285 175.109 -2.824 19693 2670 1 18 . 1 1 23 23 SER CA C 23 56.097 56.097 59.534 -3.437 19693 2671 1 18 . 1 1 23 23 SER CB C 23 59.837 59.837 61.965 -2.128 19693 2672 1 18 . 1 1 23 23 SER H H 23 9.442 9.442 9.397 0.045 19693 2673 1 18 . 1 1 24 24 GLY N N 24 104.009 104.009 106.145 -2.136 19693 2674 1 18 . 1 1 24 24 GLY C C 24 170.889 170.889 173.741 -2.852 19693 2675 1 18 . 1 1 24 24 GLY CA C 24 42.608 42.608 44.739 -2.131 19693 2676 1 18 . 1 1 24 24 GLY H H 24 8.570 8.570 8.304 0.266 19693 2677 1 18 . 1 1 25 25 ARG N N 25 120.867 120.867 121.403 -0.536 19693 2678 1 18 . 1 1 25 25 ARG HA H 25 4.513 4.513 4.597 -0.084 19693 2679 1 18 . 1 1 25 25 ARG C C 25 170.369 170.369 174.476 -4.107 19693 2680 1 18 . 1 1 25 25 ARG CA C 25 51.617 51.617 54.809 -3.192 19693 2681 1 18 . 1 1 25 25 ARG CB C 25 30.201 30.201 32.114 -1.913 19693 2682 1 18 . 1 1 25 25 ARG H H 25 7.822 7.822 7.922 -0.100 19693 2683 1 18 . 1 1 26 26 LEU N N 26 123.477 123.477 124.943 -1.466 19693 2684 1 18 . 1 1 26 26 LEU HA H 26 4.565 4.565 4.377 0.188 19693 2685 1 18 . 1 1 26 26 LEU C C 26 173.212 173.212 174.921 -1.709 19693 2686 1 18 . 1 1 26 26 LEU CA C 26 51.739 51.739 53.840 -2.101 19693 2687 1 18 . 1 1 26 26 LEU CB C 26 40.261 40.261 42.971 -2.710 19693 2688 1 18 . 1 1 26 26 LEU H H 26 8.091 8.091 8.456 -0.365 19693 2689 1 18 . 1 1 27 27 TYR N N 27 124.804 124.804 125.306 -0.502 19693 2690 1 18 . 1 1 27 27 TYR HA H 27 4.460 4.460 5.177 -0.717 19693 2691 1 18 . 1 1 27 27 TYR C C 27 172.476 172.476 175.302 -2.826 19693 2692 1 18 . 1 1 27 27 TYR CA C 27 54.890 54.890 56.798 -1.908 19693 2693 1 18 . 1 1 27 27 TYR CB C 27 37.029 37.029 39.663 -2.634 19693 2694 1 18 . 1 1 27 27 TYR H H 27 9.031 9.031 8.928 0.103 19693 2695 1 18 . 1 1 28 28 ARG N N 28 123.114 123.114 122.659 0.455 19693 2696 1 18 . 1 1 28 28 ARG HA H 28 4.383 4.383 5.155 -0.772 19693 2697 1 18 . 1 1 28 28 ARG C C 28 171.981 171.981 175.032 -3.051 19693 2698 1 18 . 1 1 28 28 ARG CA C 28 53.833 53.833 54.849 -1.016 19693 2699 1 18 . 1 1 28 28 ARG CB C 28 28.603 28.603 33.427 -4.824 19693 2700 1 18 . 1 1 28 28 ARG H H 28 9.196 9.196 9.397 -0.201 19693 2701 1 18 . 1 1 29 29 LEU N N 29 120.619 120.619 120.921 -0.302 19693 2702 1 18 . 1 1 29 29 LEU HA H 29 4.982 4.982 5.403 -0.421 19693 2703 1 18 . 1 1 29 29 LEU C C 29 172.425 172.425 175.855 -3.430 19693 2704 1 18 . 1 1 29 29 LEU CA C 29 50.185 50.185 53.055 -2.870 19693 2705 1 18 . 1 1 29 29 LEU CB C 29 37.792 37.792 44.735 -6.943 19693 2706 1 18 . 1 1 29 29 LEU H H 29 8.329 8.329 8.869 -0.540 19693 2707 1 18 . 1 1 30 30 CYS N N 30 125.083 125.083 117.335 7.748 19693 2708 1 18 . 1 1 30 30 CYS HA H 30 5.287 5.287 4.924 0.363 19693 2709 1 18 . 1 1 30 30 CYS C C 30 172.146 172.146 172.624 -0.478 19693 2710 1 18 . 1 1 30 30 CYS CA C 30 50.276 50.276 56.438 -6.162 19693 2711 1 18 . 1 1 30 30 CYS CB C 30 39.605 39.605 29.654 9.951 19693 2712 1 18 . 1 1 30 30 CYS H H 30 8.786 8.786 8.170 0.616 19693 2713 1 18 . 1 1 31 31 CYS N N 31 120.846 120.846 122.283 -1.437 19693 2714 1 18 . 1 1 31 31 CYS HA H 31 5.666 5.666 4.673 0.993 19693 2715 1 18 . 1 1 31 31 CYS C C 31 171.511 171.511 173.566 -2.055 19693 2716 1 18 . 1 1 31 31 CYS CA C 31 53.018 53.018 58.292 -5.274 19693 2717 1 18 . 1 1 31 31 CYS CB C 31 46.072 46.072 30.137 15.935 19693 2718 1 18 . 1 1 31 31 CYS H H 31 8.954 8.954 8.855 0.099 19693 2719 1 19 . 1 1 2 2 THR N N 2 115.586 115.586 119.603 -4.017 19693 2720 1 19 . 1 1 2 2 THR HA H 2 4.571 4.571 4.693 -0.122 19693 2721 1 19 . 1 1 2 2 THR C C 2 170.749 170.749 173.444 -2.695 19693 2722 1 19 . 1 1 2 2 THR CA C 2 59.977 59.977 62.355 -2.378 19693 2723 1 19 . 1 1 2 2 THR CB C 2 68.060 68.060 68.508 -0.448 19693 2724 1 19 . 1 1 2 2 THR H H 2 8.365 8.365 8.716 -0.351 19693 2725 1 19 . 1 1 3 3 CYS N N 3 122.021 122.021 125.950 -3.929 19693 2726 1 19 . 1 1 3 3 CYS HA H 3 5.529 5.529 5.548 -0.019 19693 2727 1 19 . 1 1 3 3 CYS C C 3 168.490 168.490 173.948 -5.458 19693 2728 1 19 . 1 1 3 3 CYS CA C 3 52.424 52.424 57.488 -5.064 19693 2729 1 19 . 1 1 3 3 CYS CB C 3 47.514 47.514 31.927 15.587 19693 2730 1 19 . 1 1 3 3 CYS H H 3 8.279 8.279 8.878 -0.599 19693 2731 1 19 . 1 1 4 4 TYR N N 4 117.786 117.786 118.172 -0.386 19693 2732 1 19 . 1 1 4 4 TYR HA H 4 4.736 4.736 4.868 -0.132 19693 2733 1 19 . 1 1 4 4 TYR C C 4 172.133 172.133 173.222 -1.089 19693 2734 1 19 . 1 1 4 4 TYR CA C 4 53.772 53.772 56.353 -2.581 19693 2735 1 19 . 1 1 4 4 TYR CB C 4 39.602 39.602 39.041 0.561 19693 2736 1 19 . 1 1 4 4 TYR H H 4 8.632 8.632 8.351 0.281 19693 2737 1 19 . 1 1 5 5 CYS N N 5 118.451 118.451 122.084 -3.633 19693 2738 1 19 . 1 1 5 5 CYS HA H 5 5.397 5.397 5.468 -0.071 19693 2739 1 19 . 1 1 5 5 CYS C C 5 171.739 171.739 175.160 -3.421 19693 2740 1 19 . 1 1 5 5 CYS CA C 5 53.833 53.833 58.060 -4.227 19693 2741 1 19 . 1 1 5 5 CYS CB C 5 41.545 41.545 26.746 14.799 19693 2742 1 19 . 1 1 5 5 CYS H H 5 8.902 8.902 8.569 0.333 19693 2743 1 19 . 1 1 6 6 ARG N N 6 123.236 123.236 125.322 -2.086 19693 2744 1 19 . 1 1 6 6 ARG HA H 6 5.018 5.018 4.982 0.036 19693 2745 1 19 . 1 1 6 6 ARG C C 6 172.945 172.945 176.874 -3.929 19693 2746 1 19 . 1 1 6 6 ARG CA C 6 51.799 51.799 54.922 -3.123 19693 2747 1 19 . 1 1 6 6 ARG CB C 6 30.528 30.528 31.787 -1.259 19693 2748 1 19 . 1 1 6 6 ARG H H 6 9.615 9.615 9.225 0.390 19693 2749 1 19 . 1 1 7 7 THR N N 7 113.052 113.052 112.324 0.728 19693 2750 1 19 . 1 1 7 7 THR HA H 7 4.349 4.349 4.447 -0.098 19693 2751 1 19 . 1 1 7 7 THR C C 7 173.351 173.351 174.879 -1.528 19693 2752 1 19 . 1 1 7 7 THR CA C 7 59.780 59.780 62.746 -2.966 19693 2753 1 19 . 1 1 7 7 THR CB C 7 66.445 66.445 69.200 -2.755 19693 2754 1 19 . 1 1 7 7 THR H H 7 8.713 8.713 8.594 0.119 19693 2755 1 19 . 1 1 8 8 GLY N N 8 111.886 111.886 108.771 3.115 19693 2756 1 19 . 1 1 8 8 GLY C C 8 169.531 169.531 172.637 -3.106 19693 2757 1 19 . 1 1 8 8 GLY CA C 8 41.730 41.730 44.933 -3.203 19693 2758 1 19 . 1 1 8 8 GLY H H 8 7.884 7.884 7.873 0.011 19693 2759 1 19 . 1 1 9 9 ARG N N 9 117.348 117.348 119.034 -1.686 19693 2760 1 19 . 1 1 9 9 ARG HA H 9 4.137 4.137 4.628 -0.491 19693 2761 1 19 . 1 1 9 9 ARG C C 9 174.633 174.633 173.979 0.654 19693 2762 1 19 . 1 1 9 9 ARG CA C 9 53.246 53.246 55.660 -2.414 19693 2763 1 19 . 1 1 9 9 ARG CB C 9 28.531 28.531 32.327 -3.796 19693 2764 1 19 . 1 1 9 9 ARG H H 9 8.031 8.031 8.096 -0.065 19693 2765 1 19 . 1 1 10 10 CYS N N 10 117.348 117.348 113.613 3.735 19693 2766 1 19 . 1 1 10 10 CYS HA H 10 4.714 4.714 5.103 -0.389 19693 2767 1 19 . 1 1 10 10 CYS C C 10 172.334 172.334 175.357 -3.023 19693 2768 1 19 . 1 1 10 10 CYS CA C 10 50.246 50.246 56.877 -6.631 19693 2769 1 19 . 1 1 10 10 CYS CB C 10 33.460 33.460 30.737 2.723 19693 2770 1 19 . 1 1 10 10 CYS H H 10 8.583 8.583 7.957 0.626 19693 2771 1 19 . 1 1 11 11 ALA HA H 11 4.296 4.296 4.223 0.073 19693 2772 1 19 . 1 1 11 11 ALA CA C 11 49.629 49.629 54.368 -4.739 19693 2773 1 19 . 1 1 11 11 ALA CB C 11 16.647 16.647 19.185 -2.538 19693 2774 1 19 . 1 1 12 12 THR CB C 12 67.089 67.089 68.420 -1.331 19693 2775 1 19 . 1 1 13 13 ARG HA H 13 4.073 4.073 4.311 -0.238 19693 2776 1 19 . 1 1 13 13 ARG CA C 13 55.450 55.450 55.975 -0.525 19693 2777 1 19 . 1 1 13 13 ARG CB C 13 25.699 25.699 28.941 -3.241 19693 2778 1 19 . 1 1 15 15 SER HA H 15 4.692 4.692 4.417 0.275 19693 2779 1 19 . 1 1 15 15 SER CB C 15 62.241 62.241 62.668 -0.427 19693 2780 1 19 . 1 1 16 16 LEU HA H 16 4.760 4.760 5.151 -0.391 19693 2781 1 19 . 1 1 16 16 LEU C C 16 175.052 175.052 176.556 -1.504 19693 2782 1 19 . 1 1 16 16 LEU CA C 16 54.175 54.175 54.005 0.170 19693 2783 1 19 . 1 1 16 16 LEU CB C 16 38.191 38.191 44.384 -6.193 19693 2784 1 19 . 1 1 17 17 SER N N 17 124.162 124.162 121.025 3.137 19693 2785 1 19 . 1 1 17 17 SER HA H 17 5.001 5.001 4.650 0.351 19693 2786 1 19 . 1 1 17 17 SER C C 17 169.036 169.036 174.699 -5.663 19693 2787 1 19 . 1 1 17 17 SER CA C 17 55.531 55.531 58.081 -2.550 19693 2788 1 19 . 1 1 17 17 SER CB C 17 63.316 63.316 64.184 -0.868 19693 2789 1 19 . 1 1 17 17 SER H H 17 9.441 9.441 9.330 0.111 19693 2790 1 19 . 1 1 18 18 GLY N N 18 108.239 108.239 109.182 -0.943 19693 2791 1 19 . 1 1 18 18 GLY C C 18 168.084 168.084 171.685 -3.601 19693 2792 1 19 . 1 1 18 18 GLY CA C 18 41.868 41.868 45.476 -3.608 19693 2793 1 19 . 1 1 18 18 GLY H H 18 7.359 7.359 7.441 -0.082 19693 2794 1 19 . 1 1 19 19 VAL N N 19 112.833 112.833 114.991 -2.158 19693 2795 1 19 . 1 1 19 19 VAL HA H 19 5.134 5.134 5.416 -0.282 19693 2796 1 19 . 1 1 19 19 VAL C C 19 172.336 172.336 174.981 -2.645 19693 2797 1 19 . 1 1 19 19 VAL CA C 19 57.390 57.390 59.146 -1.756 19693 2798 1 19 . 1 1 19 19 VAL CB C 19 33.578 33.578 35.238 -1.660 19693 2799 1 19 . 1 1 19 19 VAL H H 19 8.303 8.303 8.320 -0.017 19693 2800 1 19 . 1 1 20 20 CYS N N 20 120.436 120.436 120.899 -0.463 19693 2801 1 19 . 1 1 20 20 CYS HA H 20 4.884 4.884 4.924 -0.040 19693 2802 1 19 . 1 1 20 20 CYS C C 20 169.569 169.569 173.674 -4.105 19693 2803 1 19 . 1 1 20 20 CYS CA C 20 51.297 51.297 57.463 -6.166 19693 2804 1 19 . 1 1 20 20 CYS CB C 20 42.803 42.803 29.776 13.027 19693 2805 1 19 . 1 1 20 20 CYS H H 20 9.245 9.245 9.385 -0.140 19693 2806 1 19 . 1 1 21 21 GLU N N 21 128.078 128.078 125.668 2.410 19693 2807 1 19 . 1 1 21 21 GLU HA H 21 5.183 5.183 4.972 0.211 19693 2808 1 19 . 1 1 21 21 GLU C C 21 172.311 172.311 175.743 -3.432 19693 2809 1 19 . 1 1 21 21 GLU CA C 21 52.216 52.216 56.212 -3.996 19693 2810 1 19 . 1 1 21 21 GLU CB C 21 25.376 25.376 30.337 -4.961 19693 2811 1 19 . 1 1 21 21 GLU H H 21 8.981 8.981 8.710 0.271 19693 2812 1 19 . 1 1 22 22 ILE N N 22 127.676 127.676 127.876 -0.200 19693 2813 1 19 . 1 1 22 22 ILE HA H 22 4.245 4.245 4.543 -0.298 19693 2814 1 19 . 1 1 22 22 ILE C C 22 173.339 173.339 176.242 -2.903 19693 2815 1 19 . 1 1 22 22 ILE CA C 22 58.037 58.037 60.679 -2.642 19693 2816 1 19 . 1 1 22 22 ILE CB C 22 38.309 38.309 40.484 -2.175 19693 2817 1 19 . 1 1 22 22 ILE H H 22 8.884 8.884 9.226 -0.342 19693 2818 1 19 . 1 1 23 23 SER N N 23 123.963 123.963 122.548 1.415 19693 2819 1 19 . 1 1 23 23 SER HA H 23 4.016 4.016 4.132 -0.116 19693 2820 1 19 . 1 1 23 23 SER C C 23 172.285 172.285 175.002 -2.717 19693 2821 1 19 . 1 1 23 23 SER CA C 23 56.097 56.097 59.630 -3.533 19693 2822 1 19 . 1 1 23 23 SER CB C 23 59.837 59.837 62.016 -2.179 19693 2823 1 19 . 1 1 23 23 SER H H 23 9.442 9.442 9.315 0.127 19693 2824 1 19 . 1 1 24 24 GLY N N 24 104.009 104.009 107.417 -3.408 19693 2825 1 19 . 1 1 24 24 GLY C C 24 170.889 170.889 173.268 -2.379 19693 2826 1 19 . 1 1 24 24 GLY CA C 24 42.608 42.608 44.686 -2.078 19693 2827 1 19 . 1 1 24 24 GLY H H 24 8.570 8.570 8.164 0.406 19693 2828 1 19 . 1 1 25 25 ARG N N 25 120.867 120.867 120.605 0.262 19693 2829 1 19 . 1 1 25 25 ARG HA H 25 4.513 4.513 4.646 -0.133 19693 2830 1 19 . 1 1 25 25 ARG C C 25 170.369 170.369 174.132 -3.763 19693 2831 1 19 . 1 1 25 25 ARG CA C 25 51.617 51.617 54.791 -3.174 19693 2832 1 19 . 1 1 25 25 ARG CB C 25 30.201 30.201 32.383 -2.182 19693 2833 1 19 . 1 1 25 25 ARG H H 25 7.822 7.822 8.139 -0.317 19693 2834 1 19 . 1 1 26 26 LEU N N 26 123.477 123.477 126.626 -3.149 19693 2835 1 19 . 1 1 26 26 LEU HA H 26 4.565 4.565 4.401 0.164 19693 2836 1 19 . 1 1 26 26 LEU C C 26 173.212 173.212 174.940 -1.728 19693 2837 1 19 . 1 1 26 26 LEU CA C 26 51.739 51.739 53.719 -1.980 19693 2838 1 19 . 1 1 26 26 LEU CB C 26 40.261 40.261 42.506 -2.245 19693 2839 1 19 . 1 1 26 26 LEU H H 26 8.091 8.091 8.554 -0.463 19693 2840 1 19 . 1 1 27 27 TYR N N 27 124.804 124.804 126.722 -1.918 19693 2841 1 19 . 1 1 27 27 TYR HA H 27 4.460 4.460 5.214 -0.754 19693 2842 1 19 . 1 1 27 27 TYR C C 27 172.476 172.476 175.512 -3.036 19693 2843 1 19 . 1 1 27 27 TYR CA C 27 54.890 54.890 57.010 -2.120 19693 2844 1 19 . 1 1 27 27 TYR CB C 27 37.029 37.029 39.608 -2.579 19693 2845 1 19 . 1 1 27 27 TYR H H 27 9.031 9.031 9.143 -0.112 19693 2846 1 19 . 1 1 28 28 ARG N N 28 123.114 123.114 122.822 0.292 19693 2847 1 19 . 1 1 28 28 ARG HA H 28 4.383 4.383 5.114 -0.731 19693 2848 1 19 . 1 1 28 28 ARG C C 28 171.981 171.981 175.142 -3.161 19693 2849 1 19 . 1 1 28 28 ARG CA C 28 53.833 53.833 54.797 -0.964 19693 2850 1 19 . 1 1 28 28 ARG CB C 28 28.603 28.603 33.254 -4.651 19693 2851 1 19 . 1 1 28 28 ARG H H 28 9.196 9.196 9.401 -0.205 19693 2852 1 19 . 1 1 29 29 LEU N N 29 120.619 120.619 122.459 -1.840 19693 2853 1 19 . 1 1 29 29 LEU HA H 29 4.982 4.982 5.277 -0.295 19693 2854 1 19 . 1 1 29 29 LEU C C 29 172.425 172.425 175.842 -3.417 19693 2855 1 19 . 1 1 29 29 LEU CA C 29 50.185 50.185 53.295 -3.110 19693 2856 1 19 . 1 1 29 29 LEU CB C 29 37.792 37.792 43.712 -5.920 19693 2857 1 19 . 1 1 29 29 LEU H H 29 8.329 8.329 8.952 -0.623 19693 2858 1 19 . 1 1 30 30 CYS N N 30 125.083 125.083 119.896 5.187 19693 2859 1 19 . 1 1 30 30 CYS HA H 30 5.287 5.287 5.157 0.130 19693 2860 1 19 . 1 1 30 30 CYS C C 30 172.146 172.146 174.125 -1.979 19693 2861 1 19 . 1 1 30 30 CYS CA C 30 50.276 50.276 56.453 -6.177 19693 2862 1 19 . 1 1 30 30 CYS CB C 30 39.605 39.605 28.196 11.409 19693 2863 1 19 . 1 1 30 30 CYS H H 30 8.786 8.786 8.213 0.573 19693 2864 1 19 . 1 1 31 31 CYS N N 31 120.846 120.846 124.106 -3.260 19693 2865 1 19 . 1 1 31 31 CYS HA H 31 5.666 5.666 5.271 0.395 19693 2866 1 19 . 1 1 31 31 CYS C C 31 171.511 171.511 174.946 -3.435 19693 2867 1 19 . 1 1 31 31 CYS CA C 31 53.018 53.018 58.461 -5.443 19693 2868 1 19 . 1 1 31 31 CYS CB C 31 46.072 46.072 28.865 17.207 19693 2869 1 19 . 1 1 31 31 CYS H H 31 8.954 8.954 8.787 0.167 19693 2870 1 20 . 1 1 2 2 THR N N 2 115.586 115.586 121.619 -6.033 19693 2871 1 20 . 1 1 2 2 THR HA H 2 4.571 4.571 4.688 -0.117 19693 2872 1 20 . 1 1 2 2 THR C C 2 170.749 170.749 173.597 -2.848 19693 2873 1 20 . 1 1 2 2 THR CA C 2 59.977 59.977 61.702 -1.724 19693 2874 1 20 . 1 1 2 2 THR CB C 2 68.060 68.060 69.097 -1.038 19693 2875 1 20 . 1 1 2 2 THR H H 2 8.365 8.365 8.599 -0.234 19693 2876 1 20 . 1 1 3 3 CYS N N 3 122.021 122.021 126.139 -4.118 19693 2877 1 20 . 1 1 3 3 CYS HA H 3 5.529 5.529 5.224 0.305 19693 2878 1 20 . 1 1 3 3 CYS C C 3 168.490 168.490 173.975 -5.485 19693 2879 1 20 . 1 1 3 3 CYS CA C 3 52.424 52.424 57.161 -4.737 19693 2880 1 20 . 1 1 3 3 CYS CB C 3 47.514 47.514 30.928 16.586 19693 2881 1 20 . 1 1 3 3 CYS H H 3 8.279 8.279 8.957 -0.678 19693 2882 1 20 . 1 1 4 4 TYR N N 4 117.786 117.786 117.794 -0.008 19693 2883 1 20 . 1 1 4 4 TYR HA H 4 4.736 4.736 4.839 -0.103 19693 2884 1 20 . 1 1 4 4 TYR C C 4 172.133 172.133 173.216 -1.083 19693 2885 1 20 . 1 1 4 4 TYR CA C 4 53.772 53.772 56.310 -2.538 19693 2886 1 20 . 1 1 4 4 TYR CB C 4 39.602 39.602 39.003 0.599 19693 2887 1 20 . 1 1 4 4 TYR H H 4 8.632 8.632 8.481 0.151 19693 2888 1 20 . 1 1 5 5 CYS N N 5 118.451 118.451 122.051 -3.600 19693 2889 1 20 . 1 1 5 5 CYS HA H 5 5.397 5.397 5.446 -0.049 19693 2890 1 20 . 1 1 5 5 CYS C C 5 171.739 171.739 175.152 -3.413 19693 2891 1 20 . 1 1 5 5 CYS CA C 5 53.833 53.833 58.090 -4.257 19693 2892 1 20 . 1 1 5 5 CYS CB C 5 41.545 41.545 26.741 14.803 19693 2893 1 20 . 1 1 5 5 CYS H H 5 8.902 8.902 8.560 0.342 19693 2894 1 20 . 1 1 6 6 ARG N N 6 123.236 123.236 125.903 -2.667 19693 2895 1 20 . 1 1 6 6 ARG HA H 6 5.018 5.018 4.955 0.063 19693 2896 1 20 . 1 1 6 6 ARG C C 6 172.945 172.945 177.025 -4.080 19693 2897 1 20 . 1 1 6 6 ARG CA C 6 51.799 51.799 54.946 -3.147 19693 2898 1 20 . 1 1 6 6 ARG CB C 6 30.528 30.528 31.916 -1.388 19693 2899 1 20 . 1 1 6 6 ARG H H 6 9.615 9.615 9.181 0.434 19693 2900 1 20 . 1 1 7 7 THR N N 7 113.052 113.052 112.976 0.076 19693 2901 1 20 . 1 1 7 7 THR HA H 7 4.349 4.349 4.510 -0.161 19693 2902 1 20 . 1 1 7 7 THR C C 7 173.351 173.351 174.736 -1.385 19693 2903 1 20 . 1 1 7 7 THR CA C 7 59.780 59.780 62.385 -2.605 19693 2904 1 20 . 1 1 7 7 THR CB C 7 66.445 66.445 69.326 -2.881 19693 2905 1 20 . 1 1 7 7 THR H H 7 8.713 8.713 8.642 0.071 19693 2906 1 20 . 1 1 8 8 GLY N N 8 111.886 111.886 108.780 3.106 19693 2907 1 20 . 1 1 8 8 GLY C C 8 169.531 169.531 172.710 -3.179 19693 2908 1 20 . 1 1 8 8 GLY CA C 8 41.730 41.730 44.775 -3.045 19693 2909 1 20 . 1 1 8 8 GLY H H 8 7.884 7.884 7.999 -0.115 19693 2910 1 20 . 1 1 9 9 ARG N N 9 117.348 117.348 118.574 -1.226 19693 2911 1 20 . 1 1 9 9 ARG HA H 9 4.137 4.137 4.664 -0.527 19693 2912 1 20 . 1 1 9 9 ARG C C 9 174.633 174.633 173.910 0.723 19693 2913 1 20 . 1 1 9 9 ARG CA C 9 53.246 53.246 55.375 -2.129 19693 2914 1 20 . 1 1 9 9 ARG CB C 9 28.531 28.531 32.475 -3.944 19693 2915 1 20 . 1 1 9 9 ARG H H 9 8.031 8.031 8.082 -0.051 19693 2916 1 20 . 1 1 10 10 CYS N N 10 117.348 117.348 112.702 4.646 19693 2917 1 20 . 1 1 10 10 CYS HA H 10 4.714 4.714 4.925 -0.211 19693 2918 1 20 . 1 1 10 10 CYS C C 10 172.334 172.334 174.195 -1.861 19693 2919 1 20 . 1 1 10 10 CYS CA C 10 50.246 50.246 57.153 -6.907 19693 2920 1 20 . 1 1 10 10 CYS CB C 10 33.460 33.460 31.154 2.307 19693 2921 1 20 . 1 1 10 10 CYS H H 10 8.583 8.583 8.164 0.419 19693 2922 1 20 . 1 1 11 11 ALA HA H 11 4.296 4.296 4.366 -0.070 19693 2923 1 20 . 1 1 11 11 ALA CA C 11 49.629 49.629 53.118 -3.489 19693 2924 1 20 . 1 1 11 11 ALA CB C 11 16.647 16.647 17.217 -0.570 19693 2925 1 20 . 1 1 12 12 THR CB C 12 67.089 67.089 69.172 -2.083 19693 2926 1 20 . 1 1 13 13 ARG HA H 13 4.073 4.073 3.823 0.250 19693 2927 1 20 . 1 1 13 13 ARG CA C 13 55.450 55.450 59.374 -3.924 19693 2928 1 20 . 1 1 13 13 ARG CB C 13 25.699 25.699 28.152 -2.454 19693 2929 1 20 . 1 1 15 15 SER HA H 15 4.692 4.692 4.403 0.289 19693 2930 1 20 . 1 1 15 15 SER CB C 15 62.241 62.241 62.700 -0.459 19693 2931 1 20 . 1 1 16 16 LEU HA H 16 4.760 4.760 5.306 -0.546 19693 2932 1 20 . 1 1 16 16 LEU C C 16 175.052 175.052 176.159 -1.107 19693 2933 1 20 . 1 1 16 16 LEU CA C 16 54.175 54.175 54.107 0.068 19693 2934 1 20 . 1 1 16 16 LEU CB C 16 38.191 38.191 44.274 -6.083 19693 2935 1 20 . 1 1 17 17 SER N N 17 124.162 124.162 121.063 3.099 19693 2936 1 20 . 1 1 17 17 SER HA H 17 5.001 5.001 4.706 0.295 19693 2937 1 20 . 1 1 17 17 SER C C 17 169.036 169.036 174.977 -5.941 19693 2938 1 20 . 1 1 17 17 SER CA C 17 55.531 55.531 58.290 -2.759 19693 2939 1 20 . 1 1 17 17 SER CB C 17 63.316 63.316 64.377 -1.061 19693 2940 1 20 . 1 1 17 17 SER H H 17 9.441 9.441 9.172 0.269 19693 2941 1 20 . 1 1 18 18 GLY N N 18 108.239 108.239 109.285 -1.046 19693 2942 1 20 . 1 1 18 18 GLY C C 18 168.084 168.084 171.767 -3.683 19693 2943 1 20 . 1 1 18 18 GLY CA C 18 41.868 41.868 45.302 -3.434 19693 2944 1 20 . 1 1 18 18 GLY H H 18 7.359 7.359 7.429 -0.070 19693 2945 1 20 . 1 1 19 19 VAL N N 19 112.833 112.833 114.730 -1.897 19693 2946 1 20 . 1 1 19 19 VAL HA H 19 5.134 5.134 5.442 -0.308 19693 2947 1 20 . 1 1 19 19 VAL C C 19 172.336 172.336 174.730 -2.394 19693 2948 1 20 . 1 1 19 19 VAL CA C 19 57.390 57.390 59.187 -1.797 19693 2949 1 20 . 1 1 19 19 VAL CB C 19 33.578 33.578 35.819 -2.241 19693 2950 1 20 . 1 1 19 19 VAL H H 19 8.303 8.303 8.419 -0.116 19693 2951 1 20 . 1 1 20 20 CYS N N 20 120.436 120.436 119.522 0.914 19693 2952 1 20 . 1 1 20 20 CYS HA H 20 4.884 4.884 4.870 0.014 19693 2953 1 20 . 1 1 20 20 CYS C C 20 169.569 169.569 173.801 -4.232 19693 2954 1 20 . 1 1 20 20 CYS CA C 20 51.297 51.297 57.608 -6.311 19693 2955 1 20 . 1 1 20 20 CYS CB C 20 42.803 42.803 29.609 13.194 19693 2956 1 20 . 1 1 20 20 CYS H H 20 9.245 9.245 9.361 -0.116 19693 2957 1 20 . 1 1 21 21 GLU N N 21 128.078 128.078 125.488 2.590 19693 2958 1 20 . 1 1 21 21 GLU HA H 21 5.183 5.183 5.027 0.156 19693 2959 1 20 . 1 1 21 21 GLU C C 21 172.311 172.311 175.847 -3.536 19693 2960 1 20 . 1 1 21 21 GLU CA C 21 52.216 52.216 56.209 -3.993 19693 2961 1 20 . 1 1 21 21 GLU CB C 21 25.376 25.376 30.563 -5.187 19693 2962 1 20 . 1 1 21 21 GLU H H 21 8.981 8.981 8.653 0.328 19693 2963 1 20 . 1 1 22 22 ILE N N 22 127.676 127.676 128.174 -0.498 19693 2964 1 20 . 1 1 22 22 ILE HA H 22 4.245 4.245 4.502 -0.257 19693 2965 1 20 . 1 1 22 22 ILE C C 22 173.339 173.339 175.927 -2.588 19693 2966 1 20 . 1 1 22 22 ILE CA C 22 58.037 58.037 60.778 -2.740 19693 2967 1 20 . 1 1 22 22 ILE CB C 22 38.309 38.309 40.630 -2.321 19693 2968 1 20 . 1 1 22 22 ILE H H 22 8.884 8.884 9.290 -0.406 19693 2969 1 20 . 1 1 23 23 SER N N 23 123.963 123.963 121.530 2.433 19693 2970 1 20 . 1 1 23 23 SER HA H 23 4.016 4.016 4.106 -0.090 19693 2971 1 20 . 1 1 23 23 SER C C 23 172.285 172.285 175.478 -3.193 19693 2972 1 20 . 1 1 23 23 SER CA C 23 56.097 56.097 59.517 -3.420 19693 2973 1 20 . 1 1 23 23 SER CB C 23 59.837 59.837 61.413 -1.576 19693 2974 1 20 . 1 1 23 23 SER H H 23 9.442 9.442 9.313 0.129 19693 2975 1 20 . 1 1 24 24 GLY N N 24 104.009 104.009 108.784 -4.775 19693 2976 1 20 . 1 1 24 24 GLY C C 24 170.889 170.889 173.079 -2.190 19693 2977 1 20 . 1 1 24 24 GLY CA C 24 42.608 42.608 44.784 -2.176 19693 2978 1 20 . 1 1 24 24 GLY H H 24 8.570 8.570 9.067 -0.497 19693 2979 1 20 . 1 1 25 25 ARG N N 25 120.867 120.867 121.279 -0.412 19693 2980 1 20 . 1 1 25 25 ARG HA H 25 4.513 4.513 4.614 -0.101 19693 2981 1 20 . 1 1 25 25 ARG C C 25 170.369 170.369 174.362 -3.993 19693 2982 1 20 . 1 1 25 25 ARG CA C 25 51.617 51.617 54.822 -3.205 19693 2983 1 20 . 1 1 25 25 ARG CB C 25 30.201 30.201 31.983 -1.782 19693 2984 1 20 . 1 1 25 25 ARG H H 25 7.822 7.822 8.006 -0.184 19693 2985 1 20 . 1 1 26 26 LEU N N 26 123.477 123.477 127.752 -4.275 19693 2986 1 20 . 1 1 26 26 LEU HA H 26 4.565 4.565 4.533 0.032 19693 2987 1 20 . 1 1 26 26 LEU C C 26 173.212 173.212 175.155 -1.943 19693 2988 1 20 . 1 1 26 26 LEU CA C 26 51.739 51.739 53.391 -1.652 19693 2989 1 20 . 1 1 26 26 LEU CB C 26 40.261 40.261 42.711 -2.450 19693 2990 1 20 . 1 1 26 26 LEU H H 26 8.091 8.091 8.620 -0.529 19693 2991 1 20 . 1 1 27 27 TYR N N 27 124.804 124.804 126.889 -2.085 19693 2992 1 20 . 1 1 27 27 TYR HA H 27 4.460 4.460 5.096 -0.636 19693 2993 1 20 . 1 1 27 27 TYR C C 27 172.476 172.476 175.534 -3.058 19693 2994 1 20 . 1 1 27 27 TYR CA C 27 54.890 54.890 57.297 -2.407 19693 2995 1 20 . 1 1 27 27 TYR CB C 27 37.029 37.029 39.303 -2.274 19693 2996 1 20 . 1 1 27 27 TYR H H 27 9.031 9.031 8.907 0.124 19693 2997 1 20 . 1 1 28 28 ARG N N 28 123.114 123.114 122.905 0.209 19693 2998 1 20 . 1 1 28 28 ARG HA H 28 4.383 4.383 5.035 -0.652 19693 2999 1 20 . 1 1 28 28 ARG C C 28 171.981 171.981 175.087 -3.106 19693 3000 1 20 . 1 1 28 28 ARG CA C 28 53.833 53.833 54.963 -1.130 19693 3001 1 20 . 1 1 28 28 ARG CB C 28 28.603 28.603 33.207 -4.604 19693 3002 1 20 . 1 1 28 28 ARG H H 28 9.196 9.196 9.352 -0.156 19693 3003 1 20 . 1 1 29 29 LEU N N 29 120.619 120.619 122.145 -1.526 19693 3004 1 20 . 1 1 29 29 LEU HA H 29 4.982 4.982 5.319 -0.337 19693 3005 1 20 . 1 1 29 29 LEU C C 29 172.425 172.425 175.755 -3.330 19693 3006 1 20 . 1 1 29 29 LEU CA C 29 50.185 50.185 53.308 -3.123 19693 3007 1 20 . 1 1 29 29 LEU CB C 29 37.792 37.792 43.669 -5.877 19693 3008 1 20 . 1 1 29 29 LEU H H 29 8.329 8.329 8.937 -0.608 19693 3009 1 20 . 1 1 30 30 CYS N N 30 125.083 125.083 118.289 6.794 19693 3010 1 20 . 1 1 30 30 CYS HA H 30 5.287 5.287 4.965 0.322 19693 3011 1 20 . 1 1 30 30 CYS C C 30 172.146 172.146 172.621 -0.475 19693 3012 1 20 . 1 1 30 30 CYS CA C 30 50.276 50.276 56.200 -5.923 19693 3013 1 20 . 1 1 30 30 CYS CB C 30 39.605 39.605 29.150 10.455 19693 3014 1 20 . 1 1 30 30 CYS H H 30 8.786 8.786 8.310 0.476 19693 3015 1 20 . 1 1 31 31 CYS N N 31 120.846 120.846 121.415 -0.569 19693 3016 1 20 . 1 1 31 31 CYS HA H 31 5.666 5.666 5.132 0.534 19693 3017 1 20 . 1 1 31 31 CYS C C 31 171.511 171.511 172.934 -1.423 19693 3018 1 20 . 1 1 31 31 CYS CA C 31 53.018 53.018 57.893 -4.875 19693 3019 1 20 . 1 1 31 31 CYS CB C 31 46.072 46.072 31.369 14.703 19693 3020 1 20 . 1 1 31 31 CYS H H 31 8.954 8.954 8.284 0.670 19693 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 24 2.707 0.491 2.720 19693 2 1 1 "Average Difference" HA 31 0.319 0.068 0.317 19693 3 1 1 "Average Difference" C 25 3.139 2.823 1.399 19693 4 1 1 "Average Difference" CA 27 3.486 3.113 1.598 19693 5 1 1 "Average Difference" CB 26 6.808 -0.808 6.894 19693 6 1 1 "Average Difference" HN 24 0.328 -0.048 0.331 19693 7 1 2 "Average Difference" N 24 2.800 0.044 2.860 19693 8 1 2 "Average Difference" HA 31 0.327 0.011 0.332 19693 9 1 2 "Average Difference" C 25 3.107 2.858 1.245 19693 10 1 2 "Average Difference" CA 27 3.563 3.164 1.668 19693 11 1 2 "Average Difference" CB 26 6.820 -0.882 6.897 19693 12 1 2 "Average Difference" HN 24 0.389 0.024 0.397 19693 13 1 3 "Average Difference" N 24 3.094 0.602 3.100 19693 14 1 3 "Average Difference" HA 31 0.321 0.053 0.322 19693 15 1 3 "Average Difference" C 25 3.124 2.801 1.414 19693 16 1 3 "Average Difference" CA 27 3.574 3.225 1.570 19693 17 1 3 "Average Difference" CB 26 6.941 -0.748 7.037 19693 18 1 3 "Average Difference" HN 24 0.358 0.007 0.365 19693 19 1 4 "Average Difference" N 24 2.503 0.525 2.500 19693 20 1 4 "Average Difference" HA 31 0.367 0.027 0.372 19693 21 1 4 "Average Difference" C 25 3.136 2.905 1.207 19693 22 1 4 "Average Difference" CA 27 3.401 3.128 1.362 19693 23 1 4 "Average Difference" CB 26 6.948 -0.999 7.012 19693 24 1 4 "Average Difference" HN 24 0.387 -0.024 0.395 19693 25 1 5 "Average Difference" N 24 2.893 0.657 2.878 19693 26 1 5 "Average Difference" HA 31 0.271 0.038 0.273 19693 27 1 5 "Average Difference" C 25 3.040 2.716 1.395 19693 28 1 5 "Average Difference" CA 27 3.576 3.230 1.563 19693 29 1 5 "Average Difference" CB 26 6.868 -1.047 6.922 19693 30 1 5 "Average Difference" HN 24 0.321 -0.004 0.328 19693 31 1 6 "Average Difference" N 24 2.749 0.694 2.717 19693 32 1 6 "Average Difference" HA 31 0.342 0.043 0.344 19693 33 1 6 "Average Difference" C 25 3.122 2.826 1.354 19693 34 1 6 "Average Difference" CA 27 3.510 3.105 1.669 19693 35 1 6 "Average Difference" CB 26 6.913 -0.782 7.005 19693 36 1 6 "Average Difference" HN 24 0.319 -0.032 0.324 19693 37 1 7 "Average Difference" N 24 2.870 0.673 2.850 19693 38 1 7 "Average Difference" HA 31 0.311 0.043 0.313 19693 39 1 7 "Average Difference" C 25 3.167 2.934 1.217 19693 40 1 7 "Average Difference" CA 27 3.564 3.245 1.501 19693 41 1 7 "Average Difference" CB 26 6.822 -0.877 6.899 19693 42 1 7 "Average Difference" HN 24 0.346 -0.007 0.354 19693 43 1 8 "Average Difference" N 24 2.793 0.555 2.797 19693 44 1 8 "Average Difference" HA 31 0.347 0.010 0.353 19693 45 1 8 "Average Difference" C 25 3.217 2.925 1.367 19693 46 1 8 "Average Difference" CA 27 3.678 3.388 1.458 19693 47 1 8 "Average Difference" CB 26 6.748 -0.993 6.807 19693 48 1 8 "Average Difference" HN 24 0.344 -0.011 0.351 19693 49 1 9 "Average Difference" N 24 2.856 0.389 2.890 19693 50 1 9 "Average Difference" HA 31 0.295 0.068 0.291 19693 51 1 9 "Average Difference" C 25 3.157 2.872 1.337 19693 52 1 9 "Average Difference" CA 27 3.543 3.185 1.583 19693 53 1 9 "Average Difference" CB 26 6.773 -0.708 6.870 19693 54 1 9 "Average Difference" HN 24 0.300 -0.027 0.305 19693 55 1 10 "Average Difference" N 24 2.862 0.341 2.902 19693 56 1 10 "Average Difference" HA 31 0.307 0.026 0.311 19693 57 1 10 "Average Difference" C 25 3.131 2.809 1.412 19693 58 1 10 "Average Difference" CA 27 3.726 3.352 1.659 19693 59 1 10 "Average Difference" CB 26 6.852 -0.929 6.923 19693 60 1 10 "Average Difference" HN 24 0.340 0.002 0.347 19693 61 1 11 "Average Difference" N 24 2.664 0.692 2.628 19693 62 1 11 "Average Difference" HA 31 0.315 0.039 0.318 19693 63 1 11 "Average Difference" C 25 3.217 2.986 1.221 19693 64 1 11 "Average Difference" CA 27 3.630 3.316 1.504 19693 65 1 11 "Average Difference" CB 26 6.908 -1.027 6.966 19693 66 1 11 "Average Difference" HN 24 0.388 -0.046 0.393 19693 67 1 12 "Average Difference" N 24 2.933 0.396 2.969 19693 68 1 12 "Average Difference" HA 31 0.289 0.052 0.289 19693 69 1 12 "Average Difference" C 25 3.139 2.829 1.388 19693 70 1 12 "Average Difference" CA 27 3.527 3.187 1.542 19693 71 1 12 "Average Difference" CB 26 6.843 -0.815 6.929 19693 72 1 12 "Average Difference" HN 24 0.354 -0.021 0.361 19693 73 1 13 "Average Difference" N 24 2.696 0.491 2.708 19693 74 1 13 "Average Difference" HA 31 0.315 0.027 0.319 19693 75 1 13 "Average Difference" C 25 3.134 2.902 1.209 19693 76 1 13 "Average Difference" CA 27 3.449 3.177 1.369 19693 77 1 13 "Average Difference" CB 26 6.688 -0.952 6.751 19693 78 1 13 "Average Difference" HN 24 0.374 -0.027 0.381 19693 79 1 14 "Average Difference" N 24 2.519 0.317 2.553 19693 80 1 14 "Average Difference" HA 31 0.312 0.068 0.309 19693 81 1 14 "Average Difference" C 25 3.152 2.843 1.390 19693 82 1 14 "Average Difference" CA 27 3.515 3.167 1.554 19693 83 1 14 "Average Difference" CB 26 6.880 -0.756 6.974 19693 84 1 14 "Average Difference" HN 24 0.318 -0.034 0.323 19693 85 1 15 "Average Difference" N 24 2.683 0.449 2.702 19693 86 1 15 "Average Difference" HA 31 0.313 0.038 0.316 19693 87 1 15 "Average Difference" C 25 3.098 2.755 1.446 19693 88 1 15 "Average Difference" CA 27 3.609 3.277 1.540 19693 89 1 15 "Average Difference" CB 26 6.956 -0.884 7.036 19693 90 1 15 "Average Difference" HN 24 0.317 -0.052 0.319 19693 91 1 16 "Average Difference" N 24 2.711 0.419 2.736 19693 92 1 16 "Average Difference" HA 31 0.323 0.026 0.327 19693 93 1 16 "Average Difference" C 25 3.103 2.801 1.362 19693 94 1 16 "Average Difference" CA 27 3.580 3.255 1.519 19693 95 1 16 "Average Difference" CB 26 6.837 -0.934 6.907 19693 96 1 16 "Average Difference" HN 24 0.329 0.005 0.336 19693 97 1 17 "Average Difference" N 24 2.742 0.506 2.752 19693 98 1 17 "Average Difference" HA 31 0.379 0.031 0.384 19693 99 1 17 "Average Difference" C 25 3.171 2.890 1.332 19693 100 1 17 "Average Difference" CA 27 3.601 3.253 1.574 19693 101 1 17 "Average Difference" CB 26 7.019 -0.846 7.105 19693 102 1 17 "Average Difference" HN 24 0.348 -0.021 0.355 19693 103 1 18 "Average Difference" N 24 2.494 0.228 2.537 19693 104 1 18 "Average Difference" HA 31 0.365 0.053 0.368 19693 105 1 18 "Average Difference" C 25 3.118 2.842 1.310 19693 106 1 18 "Average Difference" CA 27 3.503 3.125 1.615 19693 107 1 18 "Average Difference" CB 26 6.907 -0.609 7.017 19693 108 1 18 "Average Difference" HN 24 0.326 -0.007 0.333 19693 109 1 19 "Average Difference" N 24 2.630 0.533 2.631 19693 110 1 19 "Average Difference" HA 31 0.307 0.078 0.302 19693 111 1 19 "Average Difference" C 25 3.194 2.923 1.316 19693 112 1 19 "Average Difference" CA 27 3.623 3.221 1.690 19693 113 1 19 "Average Difference" CB 26 6.954 -0.919 7.030 19693 114 1 19 "Average Difference" HN 24 0.339 -0.004 0.346 19693 115 1 20 "Average Difference" N 24 3.086 0.453 3.119 19693 116 1 20 "Average Difference" HA 31 0.314 0.047 0.316 19693 117 1 20 "Average Difference" C 25 3.122 2.752 1.504 19693 118 1 20 "Average Difference" CA 27 3.584 3.236 1.569 19693 119 1 20 "Average Difference" CB 26 6.752 -0.861 6.829 19693 120 1 20 "Average Difference" HN 24 0.358 0.014 0.365 19693 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 19693 _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 THR N N 2 115.586 115.586 119.404 -3.818 19693 2 1 . 1 1 2 2 THR HA H 2 4.571 4.571 4.741 -0.170 19693 3 1 . 1 1 2 2 THR C C 2 170.749 170.749 173.471 -2.722 19693 4 1 . 1 1 2 2 THR CA C 2 59.977 59.977 62.112 -2.135 19693 5 1 . 1 1 2 2 THR CB C 2 68.060 68.060 68.971 -0.911 19693 6 1 . 1 1 2 2 THR H H 2 8.365 8.365 8.601 -0.235 19693 7 1 . 1 1 3 3 CYS N N 3 122.021 122.021 125.621 -3.600 19693 8 1 . 1 1 3 3 CYS HA H 3 5.529 5.529 5.193 0.336 19693 9 1 . 1 1 3 3 CYS C C 3 168.490 168.490 173.863 -5.373 19693 10 1 . 1 1 3 3 CYS CA C 3 52.424 52.424 57.337 -4.913 19693 11 1 . 1 1 3 3 CYS CB C 3 47.514 47.514 31.211 16.303 19693 12 1 . 1 1 3 3 CYS H H 3 8.279 8.279 8.949 -0.670 19693 13 1 . 1 1 4 4 TYR N N 4 117.786 117.786 118.033 -0.247 19693 14 1 . 1 1 4 4 TYR HA H 4 4.736 4.736 4.855 -0.119 19693 15 1 . 1 1 4 4 TYR C C 4 172.133 172.133 173.356 -1.223 19693 16 1 . 1 1 4 4 TYR CA C 4 53.772 53.772 56.391 -2.619 19693 17 1 . 1 1 4 4 TYR CB C 4 39.602 39.602 39.078 0.524 19693 18 1 . 1 1 4 4 TYR H H 4 8.632 8.632 8.336 0.296 19693 19 1 . 1 1 5 5 CYS N N 5 118.451 118.451 122.099 -3.648 19693 20 1 . 1 1 5 5 CYS HA H 5 5.397 5.397 5.349 0.048 19693 21 1 . 1 1 5 5 CYS C C 5 171.739 171.739 174.965 -3.226 19693 22 1 . 1 1 5 5 CYS CA C 5 53.833 53.833 58.125 -4.292 19693 23 1 . 1 1 5 5 CYS CB C 5 41.545 41.545 26.694 14.851 19693 24 1 . 1 1 5 5 CYS H H 5 8.902 8.902 8.574 0.328 19693 25 1 . 1 1 6 6 ARG N N 6 123.236 123.236 125.153 -1.917 19693 26 1 . 1 1 6 6 ARG HA H 6 5.018 5.018 4.949 0.069 19693 27 1 . 1 1 6 6 ARG C C 6 172.945 172.945 176.701 -3.756 19693 28 1 . 1 1 6 6 ARG CA C 6 51.799 51.799 54.703 -2.904 19693 29 1 . 1 1 6 6 ARG CB C 6 30.528 30.528 31.982 -1.454 19693 30 1 . 1 1 6 6 ARG H H 6 9.615 9.615 9.191 0.424 19693 31 1 . 1 1 7 7 THR N N 7 113.052 113.052 112.889 0.163 19693 32 1 . 1 1 7 7 THR HA H 7 4.349 4.349 4.530 -0.181 19693 33 1 . 1 1 7 7 THR C C 7 173.351 173.351 174.784 -1.433 19693 34 1 . 1 1 7 7 THR CA C 7 59.780 59.780 62.557 -2.777 19693 35 1 . 1 1 7 7 THR CB C 7 66.445 66.445 69.195 -2.750 19693 36 1 . 1 1 7 7 THR H H 7 8.713 8.713 8.636 0.077 19693 37 1 . 1 1 8 8 GLY N N 8 111.886 111.886 108.899 2.987 19693 38 1 . 1 1 8 8 GLY C C 8 169.531 169.531 172.700 -3.169 19693 39 1 . 1 1 8 8 GLY CA C 8 41.730 41.730 44.405 -2.675 19693 40 1 . 1 1 8 8 GLY H H 8 7.884 7.884 7.881 0.003 19693 41 1 . 1 1 9 9 ARG N N 9 117.348 117.348 118.787 -1.439 19693 42 1 . 1 1 9 9 ARG HA H 9 4.137 4.137 4.620 -0.483 19693 43 1 . 1 1 9 9 ARG C C 9 174.633 174.633 174.495 0.138 19693 44 1 . 1 1 9 9 ARG CA C 9 53.246 53.246 55.482 -2.236 19693 45 1 . 1 1 9 9 ARG CB C 9 28.531 28.531 32.045 -3.514 19693 46 1 . 1 1 9 9 ARG H H 9 8.031 8.031 8.164 -0.133 19693 47 1 . 1 1 10 10 CYS N N 10 117.348 117.348 113.772 3.576 19693 48 1 . 1 1 10 10 CYS HA H 10 4.714 4.714 5.020 -0.306 19693 49 1 . 1 1 10 10 CYS C C 10 172.334 172.334 175.206 -2.872 19693 50 1 . 1 1 10 10 CYS CA C 10 50.246 50.246 56.405 -6.159 19693 51 1 . 1 1 10 10 CYS CB C 10 33.460 33.460 30.924 2.537 19693 52 1 . 1 1 10 10 CYS H H 10 8.583 8.583 8.193 0.390 19693 53 1 . 1 1 11 11 ALA HA H 11 4.296 4.296 4.211 0.085 19693 54 1 . 1 1 11 11 ALA CA C 11 49.629 49.629 54.183 -4.554 19693 55 1 . 1 1 11 11 ALA CB C 11 16.647 16.647 18.384 -1.737 19693 56 1 . 1 1 12 12 THR CB C 12 67.089 67.089 68.934 -1.845 19693 57 1 . 1 1 13 13 ARG HA H 13 4.073 4.073 4.096 -0.024 19693 58 1 . 1 1 13 13 ARG CA C 13 55.450 55.450 57.647 -2.197 19693 59 1 . 1 1 13 13 ARG CB C 13 25.699 25.699 29.562 -3.863 19693 60 1 . 1 1 15 15 SER HA H 15 4.692 4.692 4.437 0.255 19693 61 1 . 1 1 15 15 SER CB C 15 62.241 62.241 63.100 -0.859 19693 62 1 . 1 1 16 16 LEU HA H 16 4.760 4.760 5.040 -0.280 19693 63 1 . 1 1 16 16 LEU C C 16 175.052 175.052 176.401 -1.349 19693 64 1 . 1 1 16 16 LEU CA C 16 54.175 54.175 54.416 -0.241 19693 65 1 . 1 1 16 16 LEU CB C 16 38.191 38.191 43.803 -5.612 19693 66 1 . 1 1 17 17 SER N N 17 124.162 124.162 121.053 3.109 19693 67 1 . 1 1 17 17 SER HA H 17 5.001 5.001 4.698 0.303 19693 68 1 . 1 1 17 17 SER C C 17 169.036 169.036 174.720 -5.684 19693 69 1 . 1 1 17 17 SER CA C 17 55.531 55.531 58.086 -2.555 19693 70 1 . 1 1 17 17 SER CB C 17 63.316 63.316 64.475 -1.159 19693 71 1 . 1 1 17 17 SER H H 17 9.441 9.441 9.244 0.197 19693 72 1 . 1 1 18 18 GLY N N 18 108.239 108.239 109.543 -1.304 19693 73 1 . 1 1 18 18 GLY C C 18 168.084 168.084 171.743 -3.659 19693 74 1 . 1 1 18 18 GLY CA C 18 41.868 41.868 45.523 -3.655 19693 75 1 . 1 1 18 18 GLY H H 18 7.359 7.359 7.467 -0.108 19693 76 1 . 1 1 19 19 VAL N N 19 112.833 112.833 115.342 -2.509 19693 77 1 . 1 1 19 19 VAL HA H 19 5.134 5.134 5.414 -0.279 19693 78 1 . 1 1 19 19 VAL C C 19 172.336 172.336 174.853 -2.517 19693 79 1 . 1 1 19 19 VAL CA C 19 57.390 57.390 59.246 -1.856 19693 80 1 . 1 1 19 19 VAL CB C 19 33.578 33.578 35.448 -1.870 19693 81 1 . 1 1 19 19 VAL H H 19 8.303 8.303 8.367 -0.065 19693 82 1 . 1 1 20 20 CYS N N 20 120.436 120.436 120.813 -0.377 19693 83 1 . 1 1 20 20 CYS HA H 20 4.884 4.884 4.901 -0.017 19693 84 1 . 1 1 20 20 CYS C C 20 169.569 169.569 173.908 -4.339 19693 85 1 . 1 1 20 20 CYS CA C 20 51.297 51.297 57.597 -6.300 19693 86 1 . 1 1 20 20 CYS CB C 20 42.803 42.803 29.437 13.366 19693 87 1 . 1 1 20 20 CYS H H 20 9.245 9.245 9.282 -0.037 19693 88 1 . 1 1 21 21 GLU N N 21 128.078 128.078 125.913 2.165 19693 89 1 . 1 1 21 21 GLU HA H 21 5.183 5.183 4.923 0.261 19693 90 1 . 1 1 21 21 GLU C C 21 172.311 172.311 175.727 -3.416 19693 91 1 . 1 1 21 21 GLU CA C 21 52.216 52.216 56.230 -4.014 19693 92 1 . 1 1 21 21 GLU CB C 21 25.376 25.376 30.255 -4.879 19693 93 1 . 1 1 21 21 GLU H H 21 8.981 8.981 8.698 0.283 19693 94 1 . 1 1 22 22 ILE N N 22 127.676 127.676 128.271 -0.595 19693 95 1 . 1 1 22 22 ILE HA H 22 4.245 4.245 4.519 -0.274 19693 96 1 . 1 1 22 22 ILE C C 22 173.339 173.339 176.057 -2.718 19693 97 1 . 1 1 22 22 ILE CA C 22 58.037 58.037 60.696 -2.659 19693 98 1 . 1 1 22 22 ILE CB C 22 38.309 38.309 40.382 -2.072 19693 99 1 . 1 1 22 22 ILE H H 22 8.884 8.884 9.164 -0.280 19693 100 1 . 1 1 23 23 SER N N 23 123.963 123.963 122.689 1.274 19693 101 1 . 1 1 23 23 SER HA H 23 4.016 4.016 4.138 -0.122 19693 102 1 . 1 1 23 23 SER C C 23 172.285 172.285 175.130 -2.845 19693 103 1 . 1 1 23 23 SER CA C 23 56.097 56.097 59.441 -3.344 19693 104 1 . 1 1 23 23 SER CB C 23 59.837 59.837 61.704 -1.867 19693 105 1 . 1 1 23 23 SER H H 23 9.442 9.442 9.340 0.102 19693 106 1 . 1 1 24 24 GLY N N 24 104.009 104.009 106.958 -2.949 19693 107 1 . 1 1 24 24 GLY C C 24 170.889 170.889 173.519 -2.630 19693 108 1 . 1 1 24 24 GLY CA C 24 42.608 42.608 44.833 -2.225 19693 109 1 . 1 1 24 24 GLY H H 24 8.570 8.570 8.434 0.136 19693 110 1 . 1 1 25 25 ARG N N 25 120.867 120.867 121.249 -0.382 19693 111 1 . 1 1 25 25 ARG HA H 25 4.513 4.513 4.587 -0.074 19693 112 1 . 1 1 25 25 ARG C C 25 170.369 170.369 174.417 -4.048 19693 113 1 . 1 1 25 25 ARG CA C 25 51.617 51.617 54.981 -3.364 19693 114 1 . 1 1 25 25 ARG CB C 25 30.201 30.201 31.924 -1.723 19693 115 1 . 1 1 25 25 ARG H H 25 7.822 7.822 7.986 -0.164 19693 116 1 . 1 1 26 26 LEU N N 26 123.477 123.477 126.711 -3.234 19693 117 1 . 1 1 26 26 LEU HA H 26 4.565 4.565 4.440 0.125 19693 118 1 . 1 1 26 26 LEU C C 26 173.212 173.212 175.097 -1.885 19693 119 1 . 1 1 26 26 LEU CA C 26 51.739 51.739 53.663 -1.924 19693 120 1 . 1 1 26 26 LEU CB C 26 40.261 40.261 42.715 -2.454 19693 121 1 . 1 1 26 26 LEU H H 26 8.091 8.091 8.574 -0.483 19693 122 1 . 1 1 27 27 TYR N N 27 124.804 124.804 126.311 -1.507 19693 123 1 . 1 1 27 27 TYR HA H 27 4.460 4.460 5.089 -0.629 19693 124 1 . 1 1 27 27 TYR C C 27 172.476 172.476 175.340 -2.864 19693 125 1 . 1 1 27 27 TYR CA C 27 54.890 54.890 57.062 -2.172 19693 126 1 . 1 1 27 27 TYR CB C 27 37.029 37.029 39.370 -2.341 19693 127 1 . 1 1 27 27 TYR H H 27 9.031 9.031 9.005 0.026 19693 128 1 . 1 1 28 28 ARG N N 28 123.114 123.114 122.913 0.201 19693 129 1 . 1 1 28 28 ARG HA H 28 4.383 4.383 5.047 -0.664 19693 130 1 . 1 1 28 28 ARG C C 28 171.981 171.981 175.107 -3.126 19693 131 1 . 1 1 28 28 ARG CA C 28 53.833 53.833 54.954 -1.121 19693 132 1 . 1 1 28 28 ARG CB C 28 28.603 28.603 33.104 -4.501 19693 133 1 . 1 1 28 28 ARG H H 28 9.196 9.196 9.346 -0.150 19693 134 1 . 1 1 29 29 LEU N N 29 120.619 120.619 122.382 -1.763 19693 135 1 . 1 1 29 29 LEU HA H 29 4.982 4.982 5.323 -0.341 19693 136 1 . 1 1 29 29 LEU C C 29 172.425 172.425 175.783 -3.358 19693 137 1 . 1 1 29 29 LEU CA C 29 50.185 50.185 53.205 -3.020 19693 138 1 . 1 1 29 29 LEU CB C 29 37.792 37.792 43.867 -6.075 19693 139 1 . 1 1 29 29 LEU H H 29 8.329 8.329 8.928 -0.599 19693 140 1 . 1 1 30 30 CYS N N 30 125.083 125.083 118.371 6.712 19693 141 1 . 1 1 30 30 CYS HA H 30 5.287 5.287 5.114 0.173 19693 142 1 . 1 1 30 30 CYS C C 30 172.146 172.146 173.215 -1.069 19693 143 1 . 1 1 30 30 CYS CA C 30 50.276 50.276 56.167 -5.891 19693 144 1 . 1 1 30 30 CYS CB C 30 39.605 39.605 28.652 10.953 19693 145 1 . 1 1 30 30 CYS H H 30 8.786 8.786 8.180 0.606 19693 146 1 . 1 1 31 31 CYS N N 31 120.846 120.846 123.092 -2.246 19693 147 1 . 1 1 31 31 CYS HA H 31 5.666 5.666 5.064 0.602 19693 148 1 . 1 1 31 31 CYS C C 31 171.511 171.511 173.605 -2.094 19693 149 1 . 1 1 31 31 CYS CA C 31 53.018 53.018 58.085 -5.067 19693 150 1 . 1 1 31 31 CYS CB C 31 46.072 46.072 30.531 15.541 19693 151 1 . 1 1 31 31 CYS H H 31 8.954 8.954 8.520 0.434 19693 stop_ save_