data_26065 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 26065 _Entry.PDB_ID 2NDM 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 26065 _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 ARG N N 2 121.270 121.270 122.813 -1.543 26065 2 1 1 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.800 -0.161 26065 3 1 1 . 1 1 2 2 ARG CA C 2 54.571 54.571 53.092 1.479 26065 4 1 1 . 1 1 2 2 ARG CB C 2 28.854 28.854 29.929 -1.075 26065 5 1 1 . 1 1 2 2 ARG H H 2 7.878 7.878 8.164 -0.286 26065 6 1 1 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.253 -0.045 26065 7 1 1 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.893 0.440 26065 8 1 1 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.701 0.217 26065 9 1 1 . 1 1 4 4 CYS N N 4 121.206 121.206 124.524 -3.318 26065 10 1 1 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.512 0.231 26065 11 1 1 . 1 1 4 4 CYS CA C 4 53.972 53.972 57.890 -3.918 26065 12 1 1 . 1 1 4 4 CYS CB C 4 41.267 41.267 27.184 14.083 26065 13 1 1 . 1 1 4 4 CYS H H 4 8.565 8.565 8.084 0.481 26065 14 1 1 . 1 1 5 5 TYR N N 5 124.390 124.390 127.698 -3.308 26065 15 1 1 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.731 -0.042 26065 16 1 1 . 1 1 5 5 TYR CA C 5 58.247 58.247 56.637 1.610 26065 17 1 1 . 1 1 5 5 TYR CB C 5 38.960 38.960 39.390 -0.430 26065 18 1 1 . 1 1 5 5 TYR H H 5 8.852 8.852 8.520 0.332 26065 19 1 1 . 1 1 6 6 THR N N 6 111.964 111.964 115.314 -3.350 26065 20 1 1 . 1 1 6 6 THR HA H 6 4.425 4.425 4.598 -0.173 26065 21 1 1 . 1 1 6 6 THR CA C 6 60.849 60.849 60.489 0.360 26065 22 1 1 . 1 1 6 6 THR CB C 6 70.175 70.175 70.517 -0.342 26065 23 1 1 . 1 1 6 6 THR H H 6 7.853 7.853 8.217 -0.364 26065 24 1 1 . 1 1 7 7 LEU N N 7 121.124 121.124 121.042 0.082 26065 25 1 1 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.225 -0.101 26065 26 1 1 . 1 1 7 7 LEU CA C 7 56.783 56.783 56.963 -0.180 26065 27 1 1 . 1 1 7 7 LEU CB C 7 41.288 41.288 42.063 -0.775 26065 28 1 1 . 1 1 7 7 LEU H H 7 8.478 8.478 8.576 -0.098 26065 29 1 1 . 1 1 8 8 GLN N N 8 117.241 117.241 116.626 0.615 26065 30 1 1 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.326 0.020 26065 31 1 1 . 1 1 8 8 GLN CA C 8 56.032 56.032 54.777 1.255 26065 32 1 1 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.597 0.759 26065 33 1 1 . 1 1 8 8 GLN H H 8 8.181 8.181 7.987 0.194 26065 34 1 1 . 1 1 9 9 SER N N 9 115.119 115.119 114.142 0.977 26065 35 1 1 . 1 1 9 9 SER HA H 9 4.342 4.342 3.940 0.402 26065 36 1 1 . 1 1 9 9 SER CA C 9 57.892 57.892 58.466 -0.574 26065 37 1 1 . 1 1 9 9 SER CB C 9 62.875 62.875 62.299 0.576 26065 38 1 1 . 1 1 9 9 SER H H 9 8.225 8.225 7.525 0.700 26065 39 1 1 . 1 1 10 10 CYS N N 10 121.827 121.827 122.212 -0.385 26065 40 1 1 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.200 0.588 26065 41 1 1 . 1 1 10 10 CYS CA C 10 54.408 54.408 59.463 -5.055 26065 42 1 1 . 1 1 10 10 CYS CB C 10 39.874 39.874 28.547 11.327 26065 43 1 1 . 1 1 10 10 CYS H H 10 8.335 8.335 7.930 0.405 26065 44 1 1 . 1 1 11 11 PHE N N 11 127.041 127.041 124.893 2.148 26065 45 1 1 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.740 0.008 26065 46 1 1 . 1 1 11 11 PHE CA C 11 56.169 56.169 55.042 1.127 26065 47 1 1 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.729 1.169 26065 48 1 1 . 1 1 11 11 PHE H H 11 8.940 8.940 8.382 0.558 26065 49 1 1 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.580 0.179 26065 50 1 1 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.865 0.486 26065 51 1 1 . 1 1 12 12 PRO CB C 12 29.185 29.185 33.036 -3.851 26065 52 1 2 . 1 1 2 2 ARG N N 2 121.270 121.270 122.811 -1.541 26065 53 1 2 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.726 -0.087 26065 54 1 2 . 1 1 2 2 ARG CA C 2 54.571 54.571 54.351 0.220 26065 55 1 2 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.240 -1.386 26065 56 1 2 . 1 1 2 2 ARG H H 2 7.878 7.878 8.064 -0.186 26065 57 1 2 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.340 -0.132 26065 58 1 2 . 1 1 3 3 PRO CA C 3 63.333 63.333 63.150 0.183 26065 59 1 2 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.968 -0.050 26065 60 1 2 . 1 1 4 4 CYS N N 4 121.206 121.206 124.890 -3.684 26065 61 1 2 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.634 0.109 26065 62 1 2 . 1 1 4 4 CYS CA C 4 53.972 53.972 57.893 -3.921 26065 63 1 2 . 1 1 4 4 CYS CB C 4 41.267 41.267 26.640 14.627 26065 64 1 2 . 1 1 4 4 CYS H H 4 8.565 8.565 8.206 0.359 26065 65 1 2 . 1 1 5 5 TYR N N 5 124.390 124.390 128.376 -3.986 26065 66 1 2 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.733 -0.044 26065 67 1 2 . 1 1 5 5 TYR CA C 5 58.247 58.247 57.656 0.591 26065 68 1 2 . 1 1 5 5 TYR CB C 5 38.960 38.960 38.996 -0.036 26065 69 1 2 . 1 1 5 5 TYR H H 5 8.852 8.852 8.665 0.187 26065 70 1 2 . 1 1 6 6 THR N N 6 111.964 111.964 114.986 -3.022 26065 71 1 2 . 1 1 6 6 THR HA H 6 4.425 4.425 4.699 -0.274 26065 72 1 2 . 1 1 6 6 THR CA C 6 60.849 60.849 59.990 0.859 26065 73 1 2 . 1 1 6 6 THR CB C 6 70.175 70.175 70.769 -0.594 26065 74 1 2 . 1 1 6 6 THR H H 6 7.853 7.853 8.227 -0.374 26065 75 1 2 . 1 1 7 7 LEU N N 7 121.124 121.124 121.056 0.068 26065 76 1 2 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.163 -0.039 26065 77 1 2 . 1 1 7 7 LEU CA C 7 56.783 56.783 56.958 -0.175 26065 78 1 2 . 1 1 7 7 LEU CB C 7 41.288 41.288 41.917 -0.629 26065 79 1 2 . 1 1 7 7 LEU H H 7 8.478 8.478 8.567 -0.089 26065 80 1 2 . 1 1 8 8 GLN N N 8 117.241 117.241 116.818 0.423 26065 81 1 2 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.465 -0.119 26065 82 1 2 . 1 1 8 8 GLN CA C 8 56.032 56.032 55.056 0.976 26065 83 1 2 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.472 0.884 26065 84 1 2 . 1 1 8 8 GLN H H 8 8.181 8.181 8.191 -0.010 26065 85 1 2 . 1 1 9 9 SER N N 9 115.119 115.119 112.892 2.227 26065 86 1 2 . 1 1 9 9 SER HA H 9 4.342 4.342 4.012 0.330 26065 87 1 2 . 1 1 9 9 SER CA C 9 57.892 57.892 58.814 -0.922 26065 88 1 2 . 1 1 9 9 SER CB C 9 62.875 62.875 60.991 1.884 26065 89 1 2 . 1 1 9 9 SER H H 9 8.225 8.225 7.695 0.530 26065 90 1 2 . 1 1 10 10 CYS N N 10 121.827 121.827 118.463 3.364 26065 91 1 2 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.505 0.283 26065 92 1 2 . 1 1 10 10 CYS CA C 10 54.408 54.408 58.775 -4.367 26065 93 1 2 . 1 1 10 10 CYS CB C 10 39.874 39.874 27.440 12.434 26065 94 1 2 . 1 1 10 10 CYS H H 10 8.335 8.335 7.792 0.543 26065 95 1 2 . 1 1 11 11 PHE N N 11 127.041 127.041 123.331 3.710 26065 96 1 2 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.448 0.300 26065 97 1 2 . 1 1 11 11 PHE CA C 11 56.169 56.169 56.203 -0.034 26065 98 1 2 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.584 1.314 26065 99 1 2 . 1 1 11 11 PHE H H 11 8.940 8.940 8.543 0.397 26065 100 1 2 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.480 0.279 26065 101 1 2 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.734 0.617 26065 102 1 2 . 1 1 12 12 PRO CB C 12 29.185 29.185 33.264 -4.079 26065 103 1 3 . 1 1 2 2 ARG N N 2 121.270 121.270 122.929 -1.659 26065 104 1 3 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.779 -0.140 26065 105 1 3 . 1 1 2 2 ARG CA C 2 54.571 54.571 53.308 1.263 26065 106 1 3 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.600 -1.746 26065 107 1 3 . 1 1 2 2 ARG H H 2 7.878 7.878 8.023 -0.145 26065 108 1 3 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.407 -0.200 26065 109 1 3 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.857 0.476 26065 110 1 3 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.982 -0.064 26065 111 1 3 . 1 1 4 4 CYS N N 4 121.206 121.206 121.301 -0.095 26065 112 1 3 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.556 0.187 26065 113 1 3 . 1 1 4 4 CYS CA C 4 53.972 53.972 56.901 -2.929 26065 114 1 3 . 1 1 4 4 CYS CB C 4 41.267 41.267 29.763 11.504 26065 115 1 3 . 1 1 4 4 CYS H H 4 8.565 8.565 8.140 0.425 26065 116 1 3 . 1 1 5 5 TYR N N 5 124.390 124.390 123.609 0.781 26065 117 1 3 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.823 -0.134 26065 118 1 3 . 1 1 5 5 TYR CA C 5 58.247 58.247 57.754 0.493 26065 119 1 3 . 1 1 5 5 TYR CB C 5 38.960 38.960 39.476 -0.516 26065 120 1 3 . 1 1 5 5 TYR H H 5 8.852 8.852 8.331 0.521 26065 121 1 3 . 1 1 6 6 THR N N 6 111.964 111.964 115.096 -3.132 26065 122 1 3 . 1 1 6 6 THR HA H 6 4.425 4.425 4.585 -0.160 26065 123 1 3 . 1 1 6 6 THR CA C 6 60.849 60.849 60.901 -0.052 26065 124 1 3 . 1 1 6 6 THR CB C 6 70.175 70.175 70.258 -0.083 26065 125 1 3 . 1 1 6 6 THR H H 6 7.853 7.853 8.325 -0.472 26065 126 1 3 . 1 1 7 7 LEU N N 7 121.124 121.124 120.514 0.610 26065 127 1 3 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.412 -0.288 26065 128 1 3 . 1 1 7 7 LEU CA C 7 56.783 56.783 56.523 0.260 26065 129 1 3 . 1 1 7 7 LEU CB C 7 41.288 41.288 41.447 -0.159 26065 130 1 3 . 1 1 7 7 LEU H H 7 8.478 8.478 8.391 0.087 26065 131 1 3 . 1 1 8 8 GLN N N 8 117.241 117.241 118.257 -1.016 26065 132 1 3 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.442 -0.096 26065 133 1 3 . 1 1 8 8 GLN CA C 8 56.032 56.032 54.998 1.034 26065 134 1 3 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.879 0.477 26065 135 1 3 . 1 1 8 8 GLN H H 8 8.181 8.181 8.089 0.092 26065 136 1 3 . 1 1 9 9 SER N N 9 115.119 115.119 114.805 0.314 26065 137 1 3 . 1 1 9 9 SER HA H 9 4.342 4.342 4.168 0.174 26065 138 1 3 . 1 1 9 9 SER CA C 9 57.892 57.892 59.294 -1.402 26065 139 1 3 . 1 1 9 9 SER CB C 9 62.875 62.875 61.985 0.890 26065 140 1 3 . 1 1 9 9 SER H H 9 8.225 8.225 8.040 0.185 26065 141 1 3 . 1 1 10 10 CYS N N 10 121.827 121.827 120.166 1.661 26065 142 1 3 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.735 0.053 26065 143 1 3 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.244 -2.836 26065 144 1 3 . 1 1 10 10 CYS CB C 10 39.874 39.874 28.308 11.566 26065 145 1 3 . 1 1 10 10 CYS H H 10 8.335 8.335 8.047 0.288 26065 146 1 3 . 1 1 11 11 PHE N N 11 127.041 127.041 121.776 5.265 26065 147 1 3 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.638 0.110 26065 148 1 3 . 1 1 11 11 PHE CA C 11 56.169 56.169 55.646 0.523 26065 149 1 3 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.910 0.988 26065 150 1 3 . 1 1 11 11 PHE H H 11 8.940 8.940 8.564 0.376 26065 151 1 3 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.478 0.281 26065 152 1 3 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.874 0.477 26065 153 1 3 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.676 -3.491 26065 154 1 4 . 1 1 2 2 ARG N N 2 121.270 121.270 122.991 -1.721 26065 155 1 4 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.769 -0.130 26065 156 1 4 . 1 1 2 2 ARG CA C 2 54.571 54.571 53.266 1.305 26065 157 1 4 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.475 -1.621 26065 158 1 4 . 1 1 2 2 ARG H H 2 7.878 7.878 7.942 -0.064 26065 159 1 4 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.417 -0.209 26065 160 1 4 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.853 0.480 26065 161 1 4 . 1 1 3 3 PRO CB C 3 31.918 31.918 32.038 -0.120 26065 162 1 4 . 1 1 4 4 CYS N N 4 121.206 121.206 120.372 0.834 26065 163 1 4 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.639 0.104 26065 164 1 4 . 1 1 4 4 CYS CA C 4 53.972 53.972 57.058 -3.086 26065 165 1 4 . 1 1 4 4 CYS CB C 4 41.267 41.267 29.852 11.415 26065 166 1 4 . 1 1 4 4 CYS H H 4 8.565 8.565 8.146 0.419 26065 167 1 4 . 1 1 5 5 TYR N N 5 124.390 124.390 123.028 1.362 26065 168 1 4 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.785 -0.096 26065 169 1 4 . 1 1 5 5 TYR CA C 5 58.247 58.247 57.855 0.392 26065 170 1 4 . 1 1 5 5 TYR CB C 5 38.960 38.960 38.344 0.616 26065 171 1 4 . 1 1 5 5 TYR H H 5 8.852 8.852 8.411 0.441 26065 172 1 4 . 1 1 6 6 THR N N 6 111.964 111.964 115.543 -3.579 26065 173 1 4 . 1 1 6 6 THR HA H 6 4.425 4.425 4.659 -0.234 26065 174 1 4 . 1 1 6 6 THR CA C 6 60.849 60.849 60.617 0.232 26065 175 1 4 . 1 1 6 6 THR CB C 6 70.175 70.175 71.184 -1.009 26065 176 1 4 . 1 1 6 6 THR H H 6 7.853 7.853 8.313 -0.460 26065 177 1 4 . 1 1 7 7 LEU N N 7 121.124 121.124 121.630 -0.506 26065 178 1 4 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.437 -0.313 26065 179 1 4 . 1 1 7 7 LEU CA C 7 56.783 56.783 56.269 0.514 26065 180 1 4 . 1 1 7 7 LEU CB C 7 41.288 41.288 42.210 -0.922 26065 181 1 4 . 1 1 7 7 LEU H H 7 8.478 8.478 8.418 0.060 26065 182 1 4 . 1 1 8 8 GLN N N 8 117.241 117.241 117.872 -0.631 26065 183 1 4 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.407 -0.061 26065 184 1 4 . 1 1 8 8 GLN CA C 8 56.032 56.032 55.028 1.004 26065 185 1 4 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.607 0.749 26065 186 1 4 . 1 1 8 8 GLN H H 8 8.181 8.181 8.164 0.017 26065 187 1 4 . 1 1 9 9 SER N N 9 115.119 115.119 114.442 0.677 26065 188 1 4 . 1 1 9 9 SER HA H 9 4.342 4.342 4.034 0.308 26065 189 1 4 . 1 1 9 9 SER CA C 9 57.892 57.892 58.423 -0.531 26065 190 1 4 . 1 1 9 9 SER CB C 9 62.875 62.875 63.068 -0.193 26065 191 1 4 . 1 1 9 9 SER H H 9 8.225 8.225 7.847 0.378 26065 192 1 4 . 1 1 10 10 CYS N N 10 121.827 121.827 124.454 -2.627 26065 193 1 4 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.810 -0.022 26065 194 1 4 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.786 -3.378 26065 195 1 4 . 1 1 10 10 CYS CB C 10 39.874 39.874 28.962 10.912 26065 196 1 4 . 1 1 10 10 CYS H H 10 8.335 8.335 8.003 0.332 26065 197 1 4 . 1 1 11 11 PHE N N 11 127.041 127.041 126.407 0.634 26065 198 1 4 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.674 0.074 26065 199 1 4 . 1 1 11 11 PHE CA C 11 56.169 56.169 55.713 0.456 26065 200 1 4 . 1 1 11 11 PHE CB C 11 39.898 39.898 39.379 0.519 26065 201 1 4 . 1 1 11 11 PHE H H 11 8.940 8.940 8.699 0.241 26065 202 1 4 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.388 0.371 26065 203 1 4 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.958 0.393 26065 204 1 4 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.304 -3.119 26065 205 1 5 . 1 1 2 2 ARG N N 2 121.270 121.270 122.971 -1.701 26065 206 1 5 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.844 -0.205 26065 207 1 5 . 1 1 2 2 ARG CA C 2 54.571 54.571 52.929 1.642 26065 208 1 5 . 1 1 2 2 ARG CB C 2 28.854 28.854 29.781 -0.927 26065 209 1 5 . 1 1 2 2 ARG H H 2 7.878 7.878 7.987 -0.109 26065 210 1 5 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.474 -0.266 26065 211 1 5 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.871 0.462 26065 212 1 5 . 1 1 3 3 PRO CB C 3 31.918 31.918 32.155 -0.237 26065 213 1 5 . 1 1 4 4 CYS N N 4 121.206 121.206 120.256 0.950 26065 214 1 5 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.510 0.233 26065 215 1 5 . 1 1 4 4 CYS CA C 4 53.972 53.972 57.027 -3.055 26065 216 1 5 . 1 1 4 4 CYS CB C 4 41.267 41.267 29.908 11.359 26065 217 1 5 . 1 1 4 4 CYS H H 4 8.565 8.565 8.246 0.319 26065 218 1 5 . 1 1 5 5 TYR N N 5 124.390 124.390 122.738 1.652 26065 219 1 5 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.807 -0.118 26065 220 1 5 . 1 1 5 5 TYR CA C 5 58.247 58.247 56.931 1.316 26065 221 1 5 . 1 1 5 5 TYR CB C 5 38.960 38.960 37.891 1.069 26065 222 1 5 . 1 1 5 5 TYR H H 5 8.852 8.852 8.275 0.577 26065 223 1 5 . 1 1 6 6 THR N N 6 111.964 111.964 115.602 -3.638 26065 224 1 5 . 1 1 6 6 THR HA H 6 4.425 4.425 4.759 -0.334 26065 225 1 5 . 1 1 6 6 THR CA C 6 60.849 60.849 60.594 0.255 26065 226 1 5 . 1 1 6 6 THR CB C 6 70.175 70.175 71.171 -0.996 26065 227 1 5 . 1 1 6 6 THR H H 6 7.853 7.853 8.264 -0.411 26065 228 1 5 . 1 1 7 7 LEU N N 7 121.124 121.124 119.151 1.973 26065 229 1 5 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.583 -0.459 26065 230 1 5 . 1 1 7 7 LEU CA C 7 56.783 56.783 56.038 0.745 26065 231 1 5 . 1 1 7 7 LEU CB C 7 41.288 41.288 42.345 -1.057 26065 232 1 5 . 1 1 7 7 LEU H H 7 8.478 8.478 8.480 -0.002 26065 233 1 5 . 1 1 8 8 GLN N N 8 117.241 117.241 119.260 -2.019 26065 234 1 5 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.374 -0.028 26065 235 1 5 . 1 1 8 8 GLN CA C 8 56.032 56.032 55.258 0.774 26065 236 1 5 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.862 0.494 26065 237 1 5 . 1 1 8 8 GLN H H 8 8.181 8.181 8.240 -0.059 26065 238 1 5 . 1 1 9 9 SER N N 9 115.119 115.119 113.777 1.342 26065 239 1 5 . 1 1 9 9 SER HA H 9 4.342 4.342 3.974 0.368 26065 240 1 5 . 1 1 9 9 SER CA C 9 57.892 57.892 58.587 -0.695 26065 241 1 5 . 1 1 9 9 SER CB C 9 62.875 62.875 62.566 0.309 26065 242 1 5 . 1 1 9 9 SER H H 9 8.225 8.225 7.793 0.432 26065 243 1 5 . 1 1 10 10 CYS N N 10 121.827 121.827 123.141 -1.314 26065 244 1 5 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.578 0.210 26065 245 1 5 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.974 -3.566 26065 246 1 5 . 1 1 10 10 CYS CB C 10 39.874 39.874 28.703 11.171 26065 247 1 5 . 1 1 10 10 CYS H H 10 8.335 8.335 7.966 0.369 26065 248 1 5 . 1 1 11 11 PHE N N 11 127.041 127.041 126.650 0.391 26065 249 1 5 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.761 -0.013 26065 250 1 5 . 1 1 11 11 PHE CA C 11 56.169 56.169 55.737 0.432 26065 251 1 5 . 1 1 11 11 PHE CB C 11 39.898 39.898 39.398 0.500 26065 252 1 5 . 1 1 11 11 PHE H H 11 8.940 8.940 8.578 0.362 26065 253 1 5 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.391 0.368 26065 254 1 5 . 1 1 12 12 PRO CA C 12 63.351 63.351 63.069 0.282 26065 255 1 5 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.268 -3.083 26065 256 1 6 . 1 1 2 2 ARG N N 2 121.270 121.270 122.798 -1.528 26065 257 1 6 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.811 -0.172 26065 258 1 6 . 1 1 2 2 ARG CA C 2 54.571 54.571 53.352 1.219 26065 259 1 6 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.539 -1.685 26065 260 1 6 . 1 1 2 2 ARG H H 2 7.878 7.878 7.872 0.006 26065 261 1 6 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.635 -0.427 26065 262 1 6 . 1 1 3 3 PRO CA C 3 63.333 63.333 63.188 0.145 26065 263 1 6 . 1 1 3 3 PRO CB C 3 31.918 31.918 32.260 -0.341 26065 264 1 6 . 1 1 4 4 CYS N N 4 121.206 121.206 124.226 -3.020 26065 265 1 6 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.710 0.033 26065 266 1 6 . 1 1 4 4 CYS CA C 4 53.972 53.972 58.376 -4.404 26065 267 1 6 . 1 1 4 4 CYS CB C 4 41.267 41.267 26.249 15.018 26065 268 1 6 . 1 1 4 4 CYS H H 4 8.565 8.565 8.514 0.051 26065 269 1 6 . 1 1 5 5 TYR N N 5 124.390 124.390 128.618 -4.228 26065 270 1 6 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.697 -0.008 26065 271 1 6 . 1 1 5 5 TYR CA C 5 58.247 58.247 57.608 0.639 26065 272 1 6 . 1 1 5 5 TYR CB C 5 38.960 38.960 39.081 -0.121 26065 273 1 6 . 1 1 5 5 TYR H H 5 8.852 8.852 8.791 0.061 26065 274 1 6 . 1 1 6 6 THR N N 6 111.964 111.964 115.645 -3.681 26065 275 1 6 . 1 1 6 6 THR HA H 6 4.425 4.425 4.533 -0.108 26065 276 1 6 . 1 1 6 6 THR CA C 6 60.849 60.849 60.442 0.407 26065 277 1 6 . 1 1 6 6 THR CB C 6 70.175 70.175 70.637 -0.462 26065 278 1 6 . 1 1 6 6 THR H H 6 7.853 7.853 8.238 -0.385 26065 279 1 6 . 1 1 7 7 LEU N N 7 121.124 121.124 121.293 -0.169 26065 280 1 6 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.072 0.052 26065 281 1 6 . 1 1 7 7 LEU CA C 7 56.783 56.783 57.752 -0.969 26065 282 1 6 . 1 1 7 7 LEU CB C 7 41.288 41.288 42.059 -0.770 26065 283 1 6 . 1 1 7 7 LEU H H 7 8.478 8.478 8.631 -0.153 26065 284 1 6 . 1 1 8 8 GLN N N 8 117.241 117.241 115.671 1.570 26065 285 1 6 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.207 0.139 26065 286 1 6 . 1 1 8 8 GLN CA C 8 56.032 56.032 56.078 -0.046 26065 287 1 6 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.762 0.594 26065 288 1 6 . 1 1 8 8 GLN H H 8 8.181 8.181 7.975 0.206 26065 289 1 6 . 1 1 9 9 SER N N 9 115.119 115.119 113.613 1.506 26065 290 1 6 . 1 1 9 9 SER HA H 9 4.342 4.342 4.003 0.339 26065 291 1 6 . 1 1 9 9 SER CA C 9 57.892 57.892 57.895 -0.003 26065 292 1 6 . 1 1 9 9 SER CB C 9 62.875 62.875 61.462 1.413 26065 293 1 6 . 1 1 9 9 SER H H 9 8.225 8.225 7.733 0.492 26065 294 1 6 . 1 1 10 10 CYS N N 10 121.827 121.827 117.945 3.882 26065 295 1 6 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.337 0.451 26065 296 1 6 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.580 -3.172 26065 297 1 6 . 1 1 10 10 CYS CB C 10 39.874 39.874 26.973 12.901 26065 298 1 6 . 1 1 10 10 CYS H H 10 8.335 8.335 7.423 0.912 26065 299 1 6 . 1 1 11 11 PHE N N 11 127.041 127.041 121.901 5.140 26065 300 1 6 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.568 0.180 26065 301 1 6 . 1 1 11 11 PHE CA C 11 56.169 56.169 56.339 -0.170 26065 302 1 6 . 1 1 11 11 PHE CB C 11 39.898 39.898 39.057 0.841 26065 303 1 6 . 1 1 11 11 PHE H H 11 8.940 8.940 8.485 0.455 26065 304 1 6 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.720 0.039 26065 305 1 6 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.807 0.544 26065 306 1 6 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.883 -3.698 26065 307 1 7 . 1 1 2 2 ARG N N 2 121.270 121.270 122.783 -1.513 26065 308 1 7 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.631 0.008 26065 309 1 7 . 1 1 2 2 ARG CA C 2 54.571 54.571 54.526 0.045 26065 310 1 7 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.090 -1.236 26065 311 1 7 . 1 1 2 2 ARG H H 2 7.878 7.878 8.136 -0.258 26065 312 1 7 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.190 0.018 26065 313 1 7 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.903 0.430 26065 314 1 7 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.469 0.449 26065 315 1 7 . 1 1 4 4 CYS N N 4 121.206 121.206 124.506 -3.300 26065 316 1 7 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.469 0.274 26065 317 1 7 . 1 1 4 4 CYS CA C 4 53.972 53.972 57.960 -3.988 26065 318 1 7 . 1 1 4 4 CYS CB C 4 41.267 41.267 26.392 14.875 26065 319 1 7 . 1 1 4 4 CYS H H 4 8.565 8.565 8.298 0.267 26065 320 1 7 . 1 1 5 5 TYR N N 5 124.390 124.390 128.160 -3.770 26065 321 1 7 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.759 -0.070 26065 322 1 7 . 1 1 5 5 TYR CA C 5 58.247 58.247 56.226 2.021 26065 323 1 7 . 1 1 5 5 TYR CB C 5 38.960 38.960 38.624 0.336 26065 324 1 7 . 1 1 5 5 TYR H H 5 8.852 8.852 8.460 0.392 26065 325 1 7 . 1 1 6 6 THR N N 6 111.964 111.964 115.008 -3.044 26065 326 1 7 . 1 1 6 6 THR HA H 6 4.425 4.425 4.669 -0.244 26065 327 1 7 . 1 1 6 6 THR CA C 6 60.849 60.849 59.973 0.876 26065 328 1 7 . 1 1 6 6 THR CB C 6 70.175 70.175 70.724 -0.549 26065 329 1 7 . 1 1 6 6 THR H H 6 7.853 7.853 8.331 -0.478 26065 330 1 7 . 1 1 7 7 LEU N N 7 121.124 121.124 120.880 0.244 26065 331 1 7 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.191 -0.067 26065 332 1 7 . 1 1 7 7 LEU CA C 7 56.783 56.783 57.036 -0.253 26065 333 1 7 . 1 1 7 7 LEU CB C 7 41.288 41.288 41.163 0.125 26065 334 1 7 . 1 1 7 7 LEU H H 7 8.478 8.478 8.550 -0.072 26065 335 1 7 . 1 1 8 8 GLN N N 8 117.241 117.241 116.575 0.666 26065 336 1 7 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.341 0.005 26065 337 1 7 . 1 1 8 8 GLN CA C 8 56.032 56.032 54.851 1.181 26065 338 1 7 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.645 0.712 26065 339 1 7 . 1 1 8 8 GLN H H 8 8.181 8.181 8.223 -0.042 26065 340 1 7 . 1 1 9 9 SER N N 9 115.119 115.119 113.927 1.192 26065 341 1 7 . 1 1 9 9 SER HA H 9 4.342 4.342 4.009 0.333 26065 342 1 7 . 1 1 9 9 SER CA C 9 57.892 57.892 58.909 -1.017 26065 343 1 7 . 1 1 9 9 SER CB C 9 62.875 62.875 61.074 1.801 26065 344 1 7 . 1 1 9 9 SER H H 9 8.225 8.225 7.574 0.651 26065 345 1 7 . 1 1 10 10 CYS N N 10 121.827 121.827 118.055 3.772 26065 346 1 7 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.324 0.464 26065 347 1 7 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.617 -3.209 26065 348 1 7 . 1 1 10 10 CYS CB C 10 39.874 39.874 27.305 12.569 26065 349 1 7 . 1 1 10 10 CYS H H 10 8.335 8.335 8.055 0.280 26065 350 1 7 . 1 1 11 11 PHE N N 11 127.041 127.041 122.823 4.218 26065 351 1 7 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.483 0.265 26065 352 1 7 . 1 1 11 11 PHE CA C 11 56.169 56.169 56.979 -0.810 26065 353 1 7 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.744 1.154 26065 354 1 7 . 1 1 11 11 PHE H H 11 8.940 8.940 8.434 0.506 26065 355 1 7 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.477 0.282 26065 356 1 7 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.788 0.563 26065 357 1 7 . 1 1 12 12 PRO CB C 12 29.185 29.185 33.101 -3.916 26065 358 1 8 . 1 1 2 2 ARG N N 2 121.270 121.270 122.706 -1.436 26065 359 1 8 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.759 -0.120 26065 360 1 8 . 1 1 2 2 ARG CA C 2 54.571 54.571 53.293 1.278 26065 361 1 8 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.510 -1.656 26065 362 1 8 . 1 1 2 2 ARG H H 2 7.878 7.878 7.796 0.082 26065 363 1 8 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.248 -0.040 26065 364 1 8 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.895 0.438 26065 365 1 8 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.786 0.132 26065 366 1 8 . 1 1 4 4 CYS N N 4 121.206 121.206 124.684 -3.478 26065 367 1 8 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.559 0.184 26065 368 1 8 . 1 1 4 4 CYS CA C 4 53.972 53.972 57.904 -3.932 26065 369 1 8 . 1 1 4 4 CYS CB C 4 41.267 41.267 26.899 14.368 26065 370 1 8 . 1 1 4 4 CYS H H 4 8.565 8.565 8.034 0.531 26065 371 1 8 . 1 1 5 5 TYR N N 5 124.390 124.390 127.335 -2.945 26065 372 1 8 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.702 -0.013 26065 373 1 8 . 1 1 5 5 TYR CA C 5 58.247 58.247 57.413 0.834 26065 374 1 8 . 1 1 5 5 TYR CB C 5 38.960 38.960 40.078 -1.118 26065 375 1 8 . 1 1 5 5 TYR H H 5 8.852 8.852 8.544 0.308 26065 376 1 8 . 1 1 6 6 THR N N 6 111.964 111.964 115.552 -3.588 26065 377 1 8 . 1 1 6 6 THR HA H 6 4.425 4.425 4.524 -0.099 26065 378 1 8 . 1 1 6 6 THR CA C 6 60.849 60.849 60.683 0.166 26065 379 1 8 . 1 1 6 6 THR CB C 6 70.175 70.175 70.343 -0.168 26065 380 1 8 . 1 1 6 6 THR H H 6 7.853 7.853 8.342 -0.489 26065 381 1 8 . 1 1 7 7 LEU N N 7 121.124 121.124 120.762 0.362 26065 382 1 8 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.235 -0.111 26065 383 1 8 . 1 1 7 7 LEU CA C 7 56.783 56.783 57.080 -0.297 26065 384 1 8 . 1 1 7 7 LEU CB C 7 41.288 41.288 42.101 -0.813 26065 385 1 8 . 1 1 7 7 LEU H H 7 8.478 8.478 8.460 0.018 26065 386 1 8 . 1 1 8 8 GLN N N 8 117.241 117.241 116.855 0.386 26065 387 1 8 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.393 -0.047 26065 388 1 8 . 1 1 8 8 GLN CA C 8 56.032 56.032 54.817 1.215 26065 389 1 8 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.248 1.108 26065 390 1 8 . 1 1 8 8 GLN H H 8 8.181 8.181 8.212 -0.031 26065 391 1 8 . 1 1 9 9 SER N N 9 115.119 115.119 112.470 2.649 26065 392 1 8 . 1 1 9 9 SER HA H 9 4.342 4.342 4.045 0.297 26065 393 1 8 . 1 1 9 9 SER CA C 9 57.892 57.892 58.638 -0.746 26065 394 1 8 . 1 1 9 9 SER CB C 9 62.875 62.875 61.306 1.569 26065 395 1 8 . 1 1 9 9 SER H H 9 8.225 8.225 7.825 0.400 26065 396 1 8 . 1 1 10 10 CYS N N 10 121.827 121.827 121.164 0.663 26065 397 1 8 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.436 0.352 26065 398 1 8 . 1 1 10 10 CYS CA C 10 54.408 54.408 60.344 -5.936 26065 399 1 8 . 1 1 10 10 CYS CB C 10 39.874 39.874 28.362 11.512 26065 400 1 8 . 1 1 10 10 CYS H H 10 8.335 8.335 7.761 0.574 26065 401 1 8 . 1 1 11 11 PHE N N 11 127.041 127.041 124.791 2.250 26065 402 1 8 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.664 0.084 26065 403 1 8 . 1 1 11 11 PHE CA C 11 56.169 56.169 55.787 0.382 26065 404 1 8 . 1 1 11 11 PHE CB C 11 39.898 39.898 39.236 0.662 26065 405 1 8 . 1 1 11 11 PHE H H 11 8.940 8.940 8.611 0.329 26065 406 1 8 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.681 0.078 26065 407 1 8 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.756 0.595 26065 408 1 8 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.754 -3.569 26065 409 1 9 . 1 1 2 2 ARG N N 2 121.270 121.270 122.894 -1.624 26065 410 1 9 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.779 -0.140 26065 411 1 9 . 1 1 2 2 ARG CA C 2 54.571 54.571 52.893 1.678 26065 412 1 9 . 1 1 2 2 ARG CB C 2 28.854 28.854 29.862 -1.008 26065 413 1 9 . 1 1 2 2 ARG H H 2 7.878 7.878 7.844 0.034 26065 414 1 9 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.442 -0.234 26065 415 1 9 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.845 0.488 26065 416 1 9 . 1 1 3 3 PRO CB C 3 31.918 31.918 32.187 -0.269 26065 417 1 9 . 1 1 4 4 CYS N N 4 121.206 121.206 120.512 0.694 26065 418 1 9 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.497 0.246 26065 419 1 9 . 1 1 4 4 CYS CA C 4 53.972 53.972 56.909 -2.937 26065 420 1 9 . 1 1 4 4 CYS CB C 4 41.267 41.267 29.864 11.403 26065 421 1 9 . 1 1 4 4 CYS H H 4 8.565 8.565 8.187 0.378 26065 422 1 9 . 1 1 5 5 TYR N N 5 124.390 124.390 123.050 1.340 26065 423 1 9 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.836 -0.147 26065 424 1 9 . 1 1 5 5 TYR CA C 5 58.247 58.247 57.528 0.719 26065 425 1 9 . 1 1 5 5 TYR CB C 5 38.960 38.960 38.301 0.659 26065 426 1 9 . 1 1 5 5 TYR H H 5 8.852 8.852 8.291 0.561 26065 427 1 9 . 1 1 6 6 THR N N 6 111.964 111.964 114.799 -2.835 26065 428 1 9 . 1 1 6 6 THR HA H 6 4.425 4.425 4.600 -0.175 26065 429 1 9 . 1 1 6 6 THR CA C 6 60.849 60.849 60.764 0.085 26065 430 1 9 . 1 1 6 6 THR CB C 6 70.175 70.175 71.064 -0.889 26065 431 1 9 . 1 1 6 6 THR H H 6 7.853 7.853 8.241 -0.388 26065 432 1 9 . 1 1 7 7 LEU N N 7 121.124 121.124 121.059 0.065 26065 433 1 9 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.358 -0.234 26065 434 1 9 . 1 1 7 7 LEU CA C 7 56.783 56.783 56.103 0.680 26065 435 1 9 . 1 1 7 7 LEU CB C 7 41.288 41.288 42.353 -1.065 26065 436 1 9 . 1 1 7 7 LEU H H 7 8.478 8.478 8.473 0.005 26065 437 1 9 . 1 1 8 8 GLN N N 8 117.241 117.241 118.342 -1.101 26065 438 1 9 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.375 -0.029 26065 439 1 9 . 1 1 8 8 GLN CA C 8 56.032 56.032 55.239 0.793 26065 440 1 9 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.507 0.849 26065 441 1 9 . 1 1 8 8 GLN H H 8 8.181 8.181 8.184 -0.003 26065 442 1 9 . 1 1 9 9 SER N N 9 115.119 115.119 113.121 1.998 26065 443 1 9 . 1 1 9 9 SER HA H 9 4.342 4.342 3.968 0.374 26065 444 1 9 . 1 1 9 9 SER CA C 9 57.892 57.892 58.610 -0.718 26065 445 1 9 . 1 1 9 9 SER CB C 9 62.875 62.875 62.281 0.594 26065 446 1 9 . 1 1 9 9 SER H H 9 8.225 8.225 7.685 0.540 26065 447 1 9 . 1 1 10 10 CYS N N 10 121.827 121.827 123.262 -1.435 26065 448 1 9 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.520 0.268 26065 449 1 9 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.883 -3.475 26065 450 1 9 . 1 1 10 10 CYS CB C 10 39.874 39.874 28.964 10.910 26065 451 1 9 . 1 1 10 10 CYS H H 10 8.335 8.335 7.885 0.450 26065 452 1 9 . 1 1 11 11 PHE N N 11 127.041 127.041 125.610 1.431 26065 453 1 9 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.733 0.015 26065 454 1 9 . 1 1 11 11 PHE CA C 11 56.169 56.169 55.073 1.096 26065 455 1 9 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.786 1.112 26065 456 1 9 . 1 1 11 11 PHE H H 11 8.940 8.940 8.421 0.519 26065 457 1 9 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.499 0.260 26065 458 1 9 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.763 0.588 26065 459 1 9 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.456 -3.271 26065 460 1 10 . 1 1 2 2 ARG N N 2 121.270 121.270 122.811 -1.541 26065 461 1 10 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.726 -0.087 26065 462 1 10 . 1 1 2 2 ARG CA C 2 54.571 54.571 54.351 0.220 26065 463 1 10 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.240 -1.386 26065 464 1 10 . 1 1 2 2 ARG H H 2 7.878 7.878 8.064 -0.186 26065 465 1 10 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.340 -0.132 26065 466 1 10 . 1 1 3 3 PRO CA C 3 63.333 63.333 63.150 0.183 26065 467 1 10 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.968 -0.050 26065 468 1 10 . 1 1 4 4 CYS N N 4 121.206 121.206 124.890 -3.684 26065 469 1 10 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.634 0.109 26065 470 1 10 . 1 1 4 4 CYS CA C 4 53.972 53.972 57.893 -3.921 26065 471 1 10 . 1 1 4 4 CYS CB C 4 41.267 41.267 26.640 14.627 26065 472 1 10 . 1 1 4 4 CYS H H 4 8.565 8.565 8.206 0.359 26065 473 1 10 . 1 1 5 5 TYR N N 5 124.390 124.390 128.376 -3.986 26065 474 1 10 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.733 -0.044 26065 475 1 10 . 1 1 5 5 TYR CA C 5 58.247 58.247 57.656 0.591 26065 476 1 10 . 1 1 5 5 TYR CB C 5 38.960 38.960 38.996 -0.036 26065 477 1 10 . 1 1 5 5 TYR H H 5 8.852 8.852 8.665 0.187 26065 478 1 10 . 1 1 6 6 THR N N 6 111.964 111.964 114.986 -3.022 26065 479 1 10 . 1 1 6 6 THR HA H 6 4.425 4.425 4.699 -0.274 26065 480 1 10 . 1 1 6 6 THR CA C 6 60.849 60.849 59.990 0.859 26065 481 1 10 . 1 1 6 6 THR CB C 6 70.175 70.175 70.769 -0.594 26065 482 1 10 . 1 1 6 6 THR H H 6 7.853 7.853 8.227 -0.374 26065 483 1 10 . 1 1 7 7 LEU N N 7 121.124 121.124 121.056 0.068 26065 484 1 10 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.163 -0.039 26065 485 1 10 . 1 1 7 7 LEU CA C 7 56.783 56.783 56.958 -0.175 26065 486 1 10 . 1 1 7 7 LEU CB C 7 41.288 41.288 41.917 -0.629 26065 487 1 10 . 1 1 7 7 LEU H H 7 8.478 8.478 8.567 -0.089 26065 488 1 10 . 1 1 8 8 GLN N N 8 117.241 117.241 116.818 0.423 26065 489 1 10 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.465 -0.119 26065 490 1 10 . 1 1 8 8 GLN CA C 8 56.032 56.032 55.056 0.976 26065 491 1 10 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.472 0.884 26065 492 1 10 . 1 1 8 8 GLN H H 8 8.181 8.181 8.191 -0.010 26065 493 1 10 . 1 1 9 9 SER N N 9 115.119 115.119 112.892 2.227 26065 494 1 10 . 1 1 9 9 SER HA H 9 4.342 4.342 4.012 0.330 26065 495 1 10 . 1 1 9 9 SER CA C 9 57.892 57.892 58.814 -0.922 26065 496 1 10 . 1 1 9 9 SER CB C 9 62.875 62.875 60.991 1.884 26065 497 1 10 . 1 1 9 9 SER H H 9 8.225 8.225 7.695 0.530 26065 498 1 10 . 1 1 10 10 CYS N N 10 121.827 121.827 118.463 3.364 26065 499 1 10 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.505 0.283 26065 500 1 10 . 1 1 10 10 CYS CA C 10 54.408 54.408 58.775 -4.367 26065 501 1 10 . 1 1 10 10 CYS CB C 10 39.874 39.874 27.440 12.434 26065 502 1 10 . 1 1 10 10 CYS H H 10 8.335 8.335 7.792 0.543 26065 503 1 10 . 1 1 11 11 PHE N N 11 127.041 127.041 123.331 3.710 26065 504 1 10 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.448 0.300 26065 505 1 10 . 1 1 11 11 PHE CA C 11 56.169 56.169 56.203 -0.034 26065 506 1 10 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.584 1.314 26065 507 1 10 . 1 1 11 11 PHE H H 11 8.940 8.940 8.543 0.397 26065 508 1 10 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.480 0.279 26065 509 1 10 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.734 0.617 26065 510 1 10 . 1 1 12 12 PRO CB C 12 29.185 29.185 33.264 -4.079 26065 511 1 11 . 1 1 2 2 ARG N N 2 121.270 121.270 122.944 -1.674 26065 512 1 11 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.833 -0.194 26065 513 1 11 . 1 1 2 2 ARG CA C 2 54.571 54.571 53.448 1.123 26065 514 1 11 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.540 -1.686 26065 515 1 11 . 1 1 2 2 ARG H H 2 7.878 7.878 8.209 -0.331 26065 516 1 11 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.570 -0.362 26065 517 1 11 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.821 0.512 26065 518 1 11 . 1 1 3 3 PRO CB C 3 31.918 31.918 32.408 -0.490 26065 519 1 11 . 1 1 4 4 CYS N N 4 121.206 121.206 123.782 -2.576 26065 520 1 11 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.873 -0.130 26065 521 1 11 . 1 1 4 4 CYS CA C 4 53.972 53.972 57.910 -3.938 26065 522 1 11 . 1 1 4 4 CYS CB C 4 41.267 41.267 26.363 14.904 26065 523 1 11 . 1 1 4 4 CYS H H 4 8.565 8.565 8.633 -0.068 26065 524 1 11 . 1 1 5 5 TYR N N 5 124.390 124.390 129.194 -4.804 26065 525 1 11 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.699 -0.010 26065 526 1 11 . 1 1 5 5 TYR CA C 5 58.247 58.247 57.648 0.599 26065 527 1 11 . 1 1 5 5 TYR CB C 5 38.960 38.960 38.101 0.859 26065 528 1 11 . 1 1 5 5 TYR H H 5 8.852 8.852 8.917 -0.065 26065 529 1 11 . 1 1 6 6 THR N N 6 111.964 111.964 114.978 -3.014 26065 530 1 11 . 1 1 6 6 THR HA H 6 4.425 4.425 4.536 -0.111 26065 531 1 11 . 1 1 6 6 THR CA C 6 60.849 60.849 61.135 -0.286 26065 532 1 11 . 1 1 6 6 THR CB C 6 70.175 70.175 71.138 -0.963 26065 533 1 11 . 1 1 6 6 THR H H 6 7.853 7.853 8.360 -0.507 26065 534 1 11 . 1 1 7 7 LEU N N 7 121.124 121.124 121.765 -0.641 26065 535 1 11 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.069 0.055 26065 536 1 11 . 1 1 7 7 LEU CA C 7 56.783 56.783 57.371 -0.588 26065 537 1 11 . 1 1 7 7 LEU CB C 7 41.288 41.288 42.086 -0.798 26065 538 1 11 . 1 1 7 7 LEU H H 7 8.478 8.478 8.574 -0.096 26065 539 1 11 . 1 1 8 8 GLN N N 8 117.241 117.241 116.256 0.985 26065 540 1 11 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.202 0.144 26065 541 1 11 . 1 1 8 8 GLN CA C 8 56.032 56.032 55.769 0.263 26065 542 1 11 . 1 1 8 8 GLN CB C 8 29.356 29.356 29.126 0.230 26065 543 1 11 . 1 1 8 8 GLN H H 8 8.181 8.181 8.007 0.174 26065 544 1 11 . 1 1 9 9 SER N N 9 115.119 115.119 114.716 0.403 26065 545 1 11 . 1 1 9 9 SER HA H 9 4.342 4.342 4.044 0.298 26065 546 1 11 . 1 1 9 9 SER CA C 9 57.892 57.892 58.206 -0.314 26065 547 1 11 . 1 1 9 9 SER CB C 9 62.875 62.875 61.684 1.191 26065 548 1 11 . 1 1 9 9 SER H H 9 8.225 8.225 7.959 0.266 26065 549 1 11 . 1 1 10 10 CYS N N 10 121.827 121.827 119.514 2.313 26065 550 1 11 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.458 0.330 26065 551 1 11 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.709 -3.301 26065 552 1 11 . 1 1 10 10 CYS CB C 10 39.874 39.874 27.407 12.467 26065 553 1 11 . 1 1 10 10 CYS H H 10 8.335 8.335 7.845 0.490 26065 554 1 11 . 1 1 11 11 PHE N N 11 127.041 127.041 122.156 4.885 26065 555 1 11 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.407 0.341 26065 556 1 11 . 1 1 11 11 PHE CA C 11 56.169 56.169 57.493 -1.324 26065 557 1 11 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.958 0.940 26065 558 1 11 . 1 1 11 11 PHE H H 11 8.940 8.940 8.649 0.291 26065 559 1 11 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.561 0.198 26065 560 1 11 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.972 0.379 26065 561 1 11 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.894 -3.709 26065 562 1 12 . 1 1 2 2 ARG N N 2 121.270 121.270 122.901 -1.631 26065 563 1 12 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.818 -0.179 26065 564 1 12 . 1 1 2 2 ARG CA C 2 54.571 54.571 53.128 1.443 26065 565 1 12 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.077 -1.223 26065 566 1 12 . 1 1 2 2 ARG H H 2 7.878 7.878 8.202 -0.324 26065 567 1 12 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.317 -0.109 26065 568 1 12 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.434 0.899 26065 569 1 12 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.848 0.070 26065 570 1 12 . 1 1 4 4 CYS N N 4 121.206 121.206 123.495 -2.289 26065 571 1 12 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.630 0.113 26065 572 1 12 . 1 1 4 4 CYS CA C 4 53.972 53.972 57.541 -3.569 26065 573 1 12 . 1 1 4 4 CYS CB C 4 41.267 41.267 26.227 15.040 26065 574 1 12 . 1 1 4 4 CYS H H 4 8.565 8.565 8.303 0.262 26065 575 1 12 . 1 1 5 5 TYR N N 5 124.390 124.390 128.823 -4.433 26065 576 1 12 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.705 -0.016 26065 577 1 12 . 1 1 5 5 TYR CA C 5 58.247 58.247 56.450 1.797 26065 578 1 12 . 1 1 5 5 TYR CB C 5 38.960 38.960 37.582 1.378 26065 579 1 12 . 1 1 5 5 TYR H H 5 8.852 8.852 8.488 0.364 26065 580 1 12 . 1 1 6 6 THR N N 6 111.964 111.964 114.826 -2.862 26065 581 1 12 . 1 1 6 6 THR HA H 6 4.425 4.425 4.516 -0.091 26065 582 1 12 . 1 1 6 6 THR CA C 6 60.849 60.849 61.134 -0.285 26065 583 1 12 . 1 1 6 6 THR CB C 6 70.175 70.175 70.982 -0.807 26065 584 1 12 . 1 1 6 6 THR H H 6 7.853 7.853 8.367 -0.514 26065 585 1 12 . 1 1 7 7 LEU N N 7 121.124 121.124 120.807 0.317 26065 586 1 12 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.118 0.006 26065 587 1 12 . 1 1 7 7 LEU CA C 7 56.783 56.783 57.226 -0.443 26065 588 1 12 . 1 1 7 7 LEU CB C 7 41.288 41.288 42.295 -1.007 26065 589 1 12 . 1 1 7 7 LEU H H 7 8.478 8.478 8.349 0.129 26065 590 1 12 . 1 1 8 8 GLN N N 8 117.241 117.241 116.175 1.066 26065 591 1 12 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.235 0.111 26065 592 1 12 . 1 1 8 8 GLN CA C 8 56.032 56.032 55.938 0.094 26065 593 1 12 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.836 0.520 26065 594 1 12 . 1 1 8 8 GLN H H 8 8.181 8.181 8.163 0.018 26065 595 1 12 . 1 1 9 9 SER N N 9 115.119 115.119 113.842 1.277 26065 596 1 12 . 1 1 9 9 SER HA H 9 4.342 4.342 4.073 0.269 26065 597 1 12 . 1 1 9 9 SER CA C 9 57.892 57.892 58.110 -0.218 26065 598 1 12 . 1 1 9 9 SER CB C 9 62.875 62.875 61.661 1.214 26065 599 1 12 . 1 1 9 9 SER H H 9 8.225 8.225 7.880 0.345 26065 600 1 12 . 1 1 10 10 CYS N N 10 121.827 121.827 118.348 3.479 26065 601 1 12 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.451 0.337 26065 602 1 12 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.942 -3.534 26065 603 1 12 . 1 1 10 10 CYS CB C 10 39.874 39.874 27.747 12.127 26065 604 1 12 . 1 1 10 10 CYS H H 10 8.335 8.335 7.888 0.447 26065 605 1 12 . 1 1 11 11 PHE N N 11 127.041 127.041 122.235 4.806 26065 606 1 12 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.419 0.329 26065 607 1 12 . 1 1 11 11 PHE CA C 11 56.169 56.169 57.477 -1.308 26065 608 1 12 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.923 0.975 26065 609 1 12 . 1 1 11 11 PHE H H 11 8.940 8.940 8.664 0.276 26065 610 1 12 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.450 0.309 26065 611 1 12 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.868 0.483 26065 612 1 12 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.783 -3.598 26065 613 1 13 . 1 1 2 2 ARG N N 2 121.270 121.270 122.962 -1.692 26065 614 1 13 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.854 -0.215 26065 615 1 13 . 1 1 2 2 ARG CA C 2 54.571 54.571 53.026 1.546 26065 616 1 13 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.177 -1.323 26065 617 1 13 . 1 1 2 2 ARG H H 2 7.878 7.878 8.084 -0.206 26065 618 1 13 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.448 -0.240 26065 619 1 13 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.724 0.609 26065 620 1 13 . 1 1 3 3 PRO CB C 3 31.918 31.918 32.241 -0.323 26065 621 1 13 . 1 1 4 4 CYS N N 4 121.206 121.206 118.180 3.026 26065 622 1 13 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.651 0.092 26065 623 1 13 . 1 1 4 4 CYS CA C 4 53.972 53.972 57.135 -3.163 26065 624 1 13 . 1 1 4 4 CYS CB C 4 41.267 41.267 29.210 12.057 26065 625 1 13 . 1 1 4 4 CYS H H 4 8.565 8.565 8.311 0.254 26065 626 1 13 . 1 1 5 5 TYR N N 5 124.390 124.390 124.975 -0.585 26065 627 1 13 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.649 0.040 26065 628 1 13 . 1 1 5 5 TYR CA C 5 58.247 58.247 58.381 -0.134 26065 629 1 13 . 1 1 5 5 TYR CB C 5 38.960 38.960 37.499 1.461 26065 630 1 13 . 1 1 5 5 TYR H H 5 8.852 8.852 8.466 0.386 26065 631 1 13 . 1 1 6 6 THR N N 6 111.964 111.964 116.179 -4.215 26065 632 1 13 . 1 1 6 6 THR HA H 6 4.425 4.425 4.555 -0.130 26065 633 1 13 . 1 1 6 6 THR CA C 6 60.849 60.849 61.111 -0.262 26065 634 1 13 . 1 1 6 6 THR CB C 6 70.175 70.175 70.656 -0.481 26065 635 1 13 . 1 1 6 6 THR H H 6 7.853 7.853 8.394 -0.541 26065 636 1 13 . 1 1 7 7 LEU N N 7 121.124 121.124 121.695 -0.571 26065 637 1 13 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.371 -0.247 26065 638 1 13 . 1 1 7 7 LEU CA C 7 56.783 56.783 56.791 -0.008 26065 639 1 13 . 1 1 7 7 LEU CB C 7 41.288 41.288 42.038 -0.750 26065 640 1 13 . 1 1 7 7 LEU H H 7 8.478 8.478 8.285 0.193 26065 641 1 13 . 1 1 8 8 GLN N N 8 117.241 117.241 117.885 -0.644 26065 642 1 13 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.315 0.031 26065 643 1 13 . 1 1 8 8 GLN CA C 8 56.032 56.032 56.068 -0.036 26065 644 1 13 . 1 1 8 8 GLN CB C 8 29.356 29.356 29.208 0.148 26065 645 1 13 . 1 1 8 8 GLN H H 8 8.181 8.181 8.280 -0.099 26065 646 1 13 . 1 1 9 9 SER N N 9 115.119 115.119 114.385 0.734 26065 647 1 13 . 1 1 9 9 SER HA H 9 4.342 4.342 4.138 0.204 26065 648 1 13 . 1 1 9 9 SER CA C 9 57.892 57.892 58.347 -0.455 26065 649 1 13 . 1 1 9 9 SER CB C 9 62.875 62.875 61.681 1.194 26065 650 1 13 . 1 1 9 9 SER H H 9 8.225 8.225 7.944 0.281 26065 651 1 13 . 1 1 10 10 CYS N N 10 121.827 121.827 120.379 1.448 26065 652 1 13 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.558 0.230 26065 653 1 13 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.442 -3.034 26065 654 1 13 . 1 1 10 10 CYS CB C 10 39.874 39.874 27.224 12.650 26065 655 1 13 . 1 1 10 10 CYS H H 10 8.335 8.335 7.842 0.493 26065 656 1 13 . 1 1 11 11 PHE N N 11 127.041 127.041 122.874 4.167 26065 657 1 13 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.337 0.411 26065 658 1 13 . 1 1 11 11 PHE CA C 11 56.169 56.169 57.219 -1.050 26065 659 1 13 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.666 1.232 26065 660 1 13 . 1 1 11 11 PHE H H 11 8.940 8.940 8.656 0.284 26065 661 1 13 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.405 0.354 26065 662 1 13 . 1 1 12 12 PRO CA C 12 63.351 63.351 63.033 0.318 26065 663 1 13 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.337 -3.152 26065 664 1 14 . 1 1 2 2 ARG N N 2 121.270 121.270 122.860 -1.590 26065 665 1 14 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.728 -0.089 26065 666 1 14 . 1 1 2 2 ARG CA C 2 54.571 54.571 53.356 1.215 26065 667 1 14 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.363 -1.508 26065 668 1 14 . 1 1 2 2 ARG H H 2 7.878 7.878 7.957 -0.079 26065 669 1 14 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.246 -0.038 26065 670 1 14 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.982 0.351 26065 671 1 14 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.746 0.172 26065 672 1 14 . 1 1 4 4 CYS N N 4 121.206 121.206 124.086 -2.880 26065 673 1 14 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.486 0.257 26065 674 1 14 . 1 1 4 4 CYS CA C 4 53.972 53.972 58.021 -4.049 26065 675 1 14 . 1 1 4 4 CYS CB C 4 41.267 41.267 27.303 13.963 26065 676 1 14 . 1 1 4 4 CYS H H 4 8.565 8.565 7.974 0.591 26065 677 1 14 . 1 1 5 5 TYR N N 5 124.390 124.390 126.719 -2.329 26065 678 1 14 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.739 -0.050 26065 679 1 14 . 1 1 5 5 TYR CA C 5 58.247 58.247 56.416 1.831 26065 680 1 14 . 1 1 5 5 TYR CB C 5 38.960 38.960 39.502 -0.542 26065 681 1 14 . 1 1 5 5 TYR H H 5 8.852 8.852 8.372 0.480 26065 682 1 14 . 1 1 6 6 THR N N 6 111.964 111.964 114.923 -2.959 26065 683 1 14 . 1 1 6 6 THR HA H 6 4.425 4.425 4.655 -0.230 26065 684 1 14 . 1 1 6 6 THR CA C 6 60.849 60.849 60.141 0.708 26065 685 1 14 . 1 1 6 6 THR CB C 6 70.175 70.175 70.572 -0.397 26065 686 1 14 . 1 1 6 6 THR H H 6 7.853 7.853 8.339 -0.486 26065 687 1 14 . 1 1 7 7 LEU N N 7 121.124 121.124 121.250 -0.126 26065 688 1 14 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.290 -0.166 26065 689 1 14 . 1 1 7 7 LEU CA C 7 56.783 56.783 56.997 -0.214 26065 690 1 14 . 1 1 7 7 LEU CB C 7 41.288 41.288 41.326 -0.038 26065 691 1 14 . 1 1 7 7 LEU H H 7 8.478 8.478 8.532 -0.054 26065 692 1 14 . 1 1 8 8 GLN N N 8 117.241 117.241 116.915 0.326 26065 693 1 14 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.411 -0.065 26065 694 1 14 . 1 1 8 8 GLN CA C 8 56.032 56.032 54.593 1.439 26065 695 1 14 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.104 1.252 26065 696 1 14 . 1 1 8 8 GLN H H 8 8.181 8.181 8.129 0.052 26065 697 1 14 . 1 1 9 9 SER N N 9 115.119 115.119 114.645 0.474 26065 698 1 14 . 1 1 9 9 SER HA H 9 4.342 4.342 3.972 0.370 26065 699 1 14 . 1 1 9 9 SER CA C 9 57.892 57.892 58.834 -0.942 26065 700 1 14 . 1 1 9 9 SER CB C 9 62.875 62.875 62.392 0.483 26065 701 1 14 . 1 1 9 9 SER H H 9 8.225 8.225 7.529 0.696 26065 702 1 14 . 1 1 10 10 CYS N N 10 121.827 121.827 124.280 -2.453 26065 703 1 14 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.381 0.407 26065 704 1 14 . 1 1 10 10 CYS CA C 10 54.408 54.408 58.858 -4.450 26065 705 1 14 . 1 1 10 10 CYS CB C 10 39.874 39.874 28.523 11.351 26065 706 1 14 . 1 1 10 10 CYS H H 10 8.335 8.335 7.875 0.460 26065 707 1 14 . 1 1 11 11 PHE N N 11 127.041 127.041 124.501 2.540 26065 708 1 14 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.682 0.066 26065 709 1 14 . 1 1 11 11 PHE CA C 11 56.169 56.169 55.528 0.641 26065 710 1 14 . 1 1 11 11 PHE CB C 11 39.898 39.898 39.126 0.772 26065 711 1 14 . 1 1 11 11 PHE H H 11 8.940 8.940 8.326 0.614 26065 712 1 14 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.514 0.245 26065 713 1 14 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.712 0.639 26065 714 1 14 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.659 -3.474 26065 715 1 15 . 1 1 2 2 ARG N N 2 121.270 121.270 122.928 -1.658 26065 716 1 15 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.846 -0.207 26065 717 1 15 . 1 1 2 2 ARG CA C 2 54.571 54.571 52.940 1.631 26065 718 1 15 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.296 -1.442 26065 719 1 15 . 1 1 2 2 ARG H H 2 7.878 7.878 8.117 -0.239 26065 720 1 15 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.400 -0.192 26065 721 1 15 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.629 0.704 26065 722 1 15 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.966 -0.048 26065 723 1 15 . 1 1 4 4 CYS N N 4 121.206 121.206 118.711 2.495 26065 724 1 15 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.651 0.092 26065 725 1 15 . 1 1 4 4 CYS CA C 4 53.972 53.972 56.630 -2.658 26065 726 1 15 . 1 1 4 4 CYS CB C 4 41.267 41.267 26.522 14.745 26065 727 1 15 . 1 1 4 4 CYS H H 4 8.565 8.565 8.318 0.247 26065 728 1 15 . 1 1 5 5 TYR N N 5 124.390 124.390 125.450 -1.060 26065 729 1 15 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.421 0.268 26065 730 1 15 . 1 1 5 5 TYR CA C 5 58.247 58.247 59.203 -0.956 26065 731 1 15 . 1 1 5 5 TYR CB C 5 38.960 38.960 37.446 1.514 26065 732 1 15 . 1 1 5 5 TYR H H 5 8.852 8.852 8.160 0.692 26065 733 1 15 . 1 1 6 6 THR N N 6 111.964 111.964 116.502 -4.538 26065 734 1 15 . 1 1 6 6 THR HA H 6 4.425 4.425 4.590 -0.165 26065 735 1 15 . 1 1 6 6 THR CA C 6 60.849 60.849 60.586 0.263 26065 736 1 15 . 1 1 6 6 THR CB C 6 70.175 70.175 71.074 -0.899 26065 737 1 15 . 1 1 6 6 THR H H 6 7.853 7.853 8.025 -0.172 26065 738 1 15 . 1 1 7 7 LEU N N 7 121.124 121.124 119.512 1.612 26065 739 1 15 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.134 -0.010 26065 740 1 15 . 1 1 7 7 LEU CA C 7 56.783 56.783 57.397 -0.614 26065 741 1 15 . 1 1 7 7 LEU CB C 7 41.288 41.288 41.528 -0.240 26065 742 1 15 . 1 1 7 7 LEU H H 7 8.478 8.478 8.660 -0.182 26065 743 1 15 . 1 1 8 8 GLN N N 8 117.241 117.241 117.875 -0.634 26065 744 1 15 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.172 0.174 26065 745 1 15 . 1 1 8 8 GLN CA C 8 56.032 56.032 55.968 0.064 26065 746 1 15 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.774 0.582 26065 747 1 15 . 1 1 8 8 GLN H H 8 8.181 8.181 7.980 0.201 26065 748 1 15 . 1 1 9 9 SER N N 9 115.119 115.119 113.547 1.572 26065 749 1 15 . 1 1 9 9 SER HA H 9 4.342 4.342 4.162 0.180 26065 750 1 15 . 1 1 9 9 SER CA C 9 57.892 57.892 58.566 -0.674 26065 751 1 15 . 1 1 9 9 SER CB C 9 62.875 62.875 61.291 1.583 26065 752 1 15 . 1 1 9 9 SER H H 9 8.225 8.225 7.888 0.337 26065 753 1 15 . 1 1 10 10 CYS N N 10 121.827 121.827 117.521 4.306 26065 754 1 15 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.550 0.238 26065 755 1 15 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.305 -2.897 26065 756 1 15 . 1 1 10 10 CYS CB C 10 39.874 39.874 26.855 13.019 26065 757 1 15 . 1 1 10 10 CYS H H 10 8.335 8.335 7.597 0.738 26065 758 1 15 . 1 1 11 11 PHE N N 11 127.041 127.041 121.453 5.588 26065 759 1 15 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.527 0.221 26065 760 1 15 . 1 1 11 11 PHE CA C 11 56.169 56.169 56.255 -0.086 26065 761 1 15 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.491 1.407 26065 762 1 15 . 1 1 11 11 PHE H H 11 8.940 8.940 8.799 0.141 26065 763 1 15 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.514 0.245 26065 764 1 15 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.802 0.549 26065 765 1 15 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.627 -3.442 26065 766 1 16 . 1 1 2 2 ARG N N 2 121.270 121.270 122.917 -1.647 26065 767 1 16 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.799 -0.160 26065 768 1 16 . 1 1 2 2 ARG CA C 2 54.571 54.571 53.128 1.443 26065 769 1 16 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.779 -1.925 26065 770 1 16 . 1 1 2 2 ARG H H 2 7.878 7.878 8.111 -0.233 26065 771 1 16 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.404 -0.196 26065 772 1 16 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.640 0.693 26065 773 1 16 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.992 -0.074 26065 774 1 16 . 1 1 4 4 CYS N N 4 121.206 121.206 119.011 2.195 26065 775 1 16 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.707 0.036 26065 776 1 16 . 1 1 4 4 CYS CA C 4 53.972 53.972 56.622 -2.650 26065 777 1 16 . 1 1 4 4 CYS CB C 4 41.267 41.267 26.601 14.666 26065 778 1 16 . 1 1 4 4 CYS H H 4 8.565 8.565 8.299 0.266 26065 779 1 16 . 1 1 5 5 TYR N N 5 124.390 124.390 124.774 -0.384 26065 780 1 16 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.414 0.275 26065 781 1 16 . 1 1 5 5 TYR CA C 5 58.247 58.247 59.236 -0.989 26065 782 1 16 . 1 1 5 5 TYR CB C 5 38.960 38.960 37.544 1.416 26065 783 1 16 . 1 1 5 5 TYR H H 5 8.852 8.852 8.217 0.635 26065 784 1 16 . 1 1 6 6 THR N N 6 111.964 111.964 116.251 -4.287 26065 785 1 16 . 1 1 6 6 THR HA H 6 4.425 4.425 4.549 -0.124 26065 786 1 16 . 1 1 6 6 THR CA C 6 60.849 60.849 60.828 0.021 26065 787 1 16 . 1 1 6 6 THR CB C 6 70.175 70.175 70.960 -0.785 26065 788 1 16 . 1 1 6 6 THR H H 6 7.853 7.853 8.144 -0.291 26065 789 1 16 . 1 1 7 7 LEU N N 7 121.124 121.124 122.354 -1.230 26065 790 1 16 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.033 0.091 26065 791 1 16 . 1 1 7 7 LEU CA C 7 56.783 56.783 57.551 -0.768 26065 792 1 16 . 1 1 7 7 LEU CB C 7 41.288 41.288 41.689 -0.401 26065 793 1 16 . 1 1 7 7 LEU H H 7 8.478 8.478 8.768 -0.290 26065 794 1 16 . 1 1 8 8 GLN N N 8 117.241 117.241 115.917 1.324 26065 795 1 16 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.151 0.195 26065 796 1 16 . 1 1 8 8 GLN CA C 8 56.032 56.032 56.122 -0.090 26065 797 1 16 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.930 0.426 26065 798 1 16 . 1 1 8 8 GLN H H 8 8.181 8.181 8.043 0.138 26065 799 1 16 . 1 1 9 9 SER N N 9 115.119 115.119 113.711 1.408 26065 800 1 16 . 1 1 9 9 SER HA H 9 4.342 4.342 4.103 0.239 26065 801 1 16 . 1 1 9 9 SER CA C 9 57.892 57.892 58.207 -0.315 26065 802 1 16 . 1 1 9 9 SER CB C 9 62.875 62.875 61.383 1.492 26065 803 1 16 . 1 1 9 9 SER H H 9 8.225 8.225 7.944 0.281 26065 804 1 16 . 1 1 10 10 CYS N N 10 121.827 121.827 117.984 3.843 26065 805 1 16 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.432 0.356 26065 806 1 16 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.511 -3.103 26065 807 1 16 . 1 1 10 10 CYS CB C 10 39.874 39.874 26.669 13.205 26065 808 1 16 . 1 1 10 10 CYS H H 10 8.335 8.335 7.674 0.661 26065 809 1 16 . 1 1 11 11 PHE N N 11 127.041 127.041 121.545 5.496 26065 810 1 16 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.507 0.241 26065 811 1 16 . 1 1 11 11 PHE CA C 11 56.169 56.169 56.766 -0.597 26065 812 1 16 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.781 1.117 26065 813 1 16 . 1 1 11 11 PHE H H 11 8.940 8.940 8.637 0.303 26065 814 1 16 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.520 0.239 26065 815 1 16 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.933 0.418 26065 816 1 16 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.550 -3.365 26065 817 1 17 . 1 1 2 2 ARG N N 2 121.270 121.270 122.963 -1.693 26065 818 1 17 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.881 -0.242 26065 819 1 17 . 1 1 2 2 ARG CA C 2 54.571 54.571 52.993 1.578 26065 820 1 17 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.286 -1.432 26065 821 1 17 . 1 1 2 2 ARG H H 2 7.878 7.878 8.157 -0.279 26065 822 1 17 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.450 -0.242 26065 823 1 17 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.706 0.627 26065 824 1 17 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.992 -0.074 26065 825 1 17 . 1 1 4 4 CYS N N 4 121.206 121.206 118.733 2.473 26065 826 1 17 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.807 -0.064 26065 827 1 17 . 1 1 4 4 CYS CA C 4 53.972 53.972 56.768 -2.796 26065 828 1 17 . 1 1 4 4 CYS CB C 4 41.267 41.267 26.573 14.694 26065 829 1 17 . 1 1 4 4 CYS H H 4 8.565 8.565 8.372 0.193 26065 830 1 17 . 1 1 5 5 TYR N N 5 124.390 124.390 125.526 -1.136 26065 831 1 17 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.390 0.299 26065 832 1 17 . 1 1 5 5 TYR CA C 5 58.247 58.247 59.735 -1.488 26065 833 1 17 . 1 1 5 5 TYR CB C 5 38.960 38.960 37.975 0.985 26065 834 1 17 . 1 1 5 5 TYR H H 5 8.852 8.852 8.706 0.146 26065 835 1 17 . 1 1 6 6 THR N N 6 111.964 111.964 116.515 -4.551 26065 836 1 17 . 1 1 6 6 THR HA H 6 4.425 4.425 4.508 -0.083 26065 837 1 17 . 1 1 6 6 THR CA C 6 60.849 60.849 60.944 -0.095 26065 838 1 17 . 1 1 6 6 THR CB C 6 70.175 70.175 70.574 -0.399 26065 839 1 17 . 1 1 6 6 THR H H 6 7.853 7.853 8.030 -0.177 26065 840 1 17 . 1 1 7 7 LEU N N 7 121.124 121.124 122.062 -0.938 26065 841 1 17 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.109 0.015 26065 842 1 17 . 1 1 7 7 LEU CA C 7 56.783 56.783 57.447 -0.664 26065 843 1 17 . 1 1 7 7 LEU CB C 7 41.288 41.288 41.544 -0.256 26065 844 1 17 . 1 1 7 7 LEU H H 7 8.478 8.478 8.696 -0.218 26065 845 1 17 . 1 1 8 8 GLN N N 8 117.241 117.241 116.065 1.176 26065 846 1 17 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.147 0.199 26065 847 1 17 . 1 1 8 8 GLN CA C 8 56.032 56.032 55.715 0.317 26065 848 1 17 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.565 0.791 26065 849 1 17 . 1 1 8 8 GLN H H 8 8.181 8.181 8.078 0.103 26065 850 1 17 . 1 1 9 9 SER N N 9 115.119 115.119 114.028 1.091 26065 851 1 17 . 1 1 9 9 SER HA H 9 4.342 4.342 4.032 0.310 26065 852 1 17 . 1 1 9 9 SER CA C 9 57.892 57.892 58.312 -0.420 26065 853 1 17 . 1 1 9 9 SER CB C 9 62.875 62.875 61.431 1.444 26065 854 1 17 . 1 1 9 9 SER H H 9 8.225 8.225 8.012 0.213 26065 855 1 17 . 1 1 10 10 CYS N N 10 121.827 121.827 117.975 3.852 26065 856 1 17 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.393 0.395 26065 857 1 17 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.486 -3.078 26065 858 1 17 . 1 1 10 10 CYS CB C 10 39.874 39.874 26.660 13.214 26065 859 1 17 . 1 1 10 10 CYS H H 10 8.335 8.335 7.661 0.674 26065 860 1 17 . 1 1 11 11 PHE N N 11 127.041 127.041 121.566 5.475 26065 861 1 17 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.501 0.247 26065 862 1 17 . 1 1 11 11 PHE CA C 11 56.169 56.169 56.729 -0.560 26065 863 1 17 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.836 1.062 26065 864 1 17 . 1 1 11 11 PHE H H 11 8.940 8.940 8.573 0.367 26065 865 1 17 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.587 0.172 26065 866 1 17 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.898 0.453 26065 867 1 17 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.602 -3.417 26065 868 1 18 . 1 1 2 2 ARG N N 2 121.270 121.270 122.909 -1.639 26065 869 1 18 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.738 -0.099 26065 870 1 18 . 1 1 2 2 ARG CA C 2 54.571 54.571 54.140 0.431 26065 871 1 18 . 1 1 2 2 ARG CB C 2 28.854 28.854 29.716 -0.862 26065 872 1 18 . 1 1 2 2 ARG H H 2 7.878 7.878 8.126 -0.248 26065 873 1 18 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.291 -0.083 26065 874 1 18 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.697 0.636 26065 875 1 18 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.930 -0.013 26065 876 1 18 . 1 1 4 4 CYS N N 4 121.206 121.206 123.432 -2.226 26065 877 1 18 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.630 0.113 26065 878 1 18 . 1 1 4 4 CYS CA C 4 53.972 53.972 57.664 -3.692 26065 879 1 18 . 1 1 4 4 CYS CB C 4 41.267 41.267 26.286 14.981 26065 880 1 18 . 1 1 4 4 CYS H H 4 8.565 8.565 8.256 0.309 26065 881 1 18 . 1 1 5 5 TYR N N 5 124.390 124.390 128.401 -4.011 26065 882 1 18 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.846 -0.157 26065 883 1 18 . 1 1 5 5 TYR CA C 5 58.247 58.247 57.035 1.212 26065 884 1 18 . 1 1 5 5 TYR CB C 5 38.960 38.960 37.760 1.200 26065 885 1 18 . 1 1 5 5 TYR H H 5 8.852 8.852 8.609 0.243 26065 886 1 18 . 1 1 6 6 THR N N 6 111.964 111.964 114.700 -2.736 26065 887 1 18 . 1 1 6 6 THR HA H 6 4.425 4.425 4.625 -0.200 26065 888 1 18 . 1 1 6 6 THR CA C 6 60.849 60.849 60.479 0.370 26065 889 1 18 . 1 1 6 6 THR CB C 6 70.175 70.175 70.800 -0.625 26065 890 1 18 . 1 1 6 6 THR H H 6 7.853 7.853 8.223 -0.370 26065 891 1 18 . 1 1 7 7 LEU N N 7 121.124 121.124 121.116 0.008 26065 892 1 18 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.084 0.040 26065 893 1 18 . 1 1 7 7 LEU CA C 7 56.783 56.783 57.532 -0.750 26065 894 1 18 . 1 1 7 7 LEU CB C 7 41.288 41.288 41.985 -0.697 26065 895 1 18 . 1 1 7 7 LEU H H 7 8.478 8.478 8.582 -0.104 26065 896 1 18 . 1 1 8 8 GLN N N 8 117.241 117.241 116.208 1.033 26065 897 1 18 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.274 0.072 26065 898 1 18 . 1 1 8 8 GLN CA C 8 56.032 56.032 55.987 0.045 26065 899 1 18 . 1 1 8 8 GLN CB C 8 29.356 29.356 29.196 0.160 26065 900 1 18 . 1 1 8 8 GLN H H 8 8.181 8.181 8.170 0.011 26065 901 1 18 . 1 1 9 9 SER N N 9 115.119 115.119 113.276 1.843 26065 902 1 18 . 1 1 9 9 SER HA H 9 4.342 4.342 4.120 0.222 26065 903 1 18 . 1 1 9 9 SER CA C 9 57.892 57.892 58.660 -0.768 26065 904 1 18 . 1 1 9 9 SER CB C 9 62.875 62.875 61.296 1.579 26065 905 1 18 . 1 1 9 9 SER H H 9 8.225 8.225 7.974 0.251 26065 906 1 18 . 1 1 10 10 CYS N N 10 121.827 121.827 118.354 3.473 26065 907 1 18 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.480 0.308 26065 908 1 18 . 1 1 10 10 CYS CA C 10 54.408 54.408 58.136 -3.728 26065 909 1 18 . 1 1 10 10 CYS CB C 10 39.874 39.874 27.590 12.284 26065 910 1 18 . 1 1 10 10 CYS H H 10 8.335 8.335 7.900 0.435 26065 911 1 18 . 1 1 11 11 PHE N N 11 127.041 127.041 122.072 4.969 26065 912 1 18 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.422 0.326 26065 913 1 18 . 1 1 11 11 PHE CA C 11 56.169 56.169 56.858 -0.690 26065 914 1 18 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.660 1.238 26065 915 1 18 . 1 1 11 11 PHE H H 11 8.940 8.940 8.730 0.210 26065 916 1 18 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.508 0.251 26065 917 1 18 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.861 0.490 26065 918 1 18 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.746 -3.561 26065 919 1 19 . 1 1 2 2 ARG N N 2 121.270 121.270 122.924 -1.654 26065 920 1 19 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.786 -0.147 26065 921 1 19 . 1 1 2 2 ARG CA C 2 54.571 54.571 53.091 1.480 26065 922 1 19 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.761 -1.907 26065 923 1 19 . 1 1 2 2 ARG H H 2 7.878 7.878 8.092 -0.214 26065 924 1 19 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.386 -0.178 26065 925 1 19 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.626 0.707 26065 926 1 19 . 1 1 3 3 PRO CB C 3 31.918 31.918 31.984 -0.066 26065 927 1 19 . 1 1 4 4 CYS N N 4 121.206 121.206 118.790 2.416 26065 928 1 19 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.682 0.061 26065 929 1 19 . 1 1 4 4 CYS CA C 4 53.972 53.972 56.672 -2.700 26065 930 1 19 . 1 1 4 4 CYS CB C 4 41.267 41.267 26.544 14.723 26065 931 1 19 . 1 1 4 4 CYS H H 4 8.565 8.565 8.324 0.241 26065 932 1 19 . 1 1 5 5 TYR N N 5 124.390 124.390 125.680 -1.290 26065 933 1 19 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.440 0.249 26065 934 1 19 . 1 1 5 5 TYR CA C 5 58.247 58.247 59.318 -1.071 26065 935 1 19 . 1 1 5 5 TYR CB C 5 38.960 38.960 37.745 1.215 26065 936 1 19 . 1 1 5 5 TYR H H 5 8.852 8.852 8.269 0.583 26065 937 1 19 . 1 1 6 6 THR N N 6 111.964 111.964 117.179 -5.215 26065 938 1 19 . 1 1 6 6 THR HA H 6 4.425 4.425 4.483 -0.058 26065 939 1 19 . 1 1 6 6 THR CA C 6 60.849 60.849 60.882 -0.033 26065 940 1 19 . 1 1 6 6 THR CB C 6 70.175 70.175 70.468 -0.293 26065 941 1 19 . 1 1 6 6 THR H H 6 7.853 7.853 8.132 -0.279 26065 942 1 19 . 1 1 7 7 LEU N N 7 121.124 121.124 122.586 -1.462 26065 943 1 19 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.088 0.036 26065 944 1 19 . 1 1 7 7 LEU CA C 7 56.783 56.783 57.844 -1.061 26065 945 1 19 . 1 1 7 7 LEU CB C 7 41.288 41.288 41.787 -0.499 26065 946 1 19 . 1 1 7 7 LEU H H 7 8.478 8.478 8.764 -0.286 26065 947 1 19 . 1 1 8 8 GLN N N 8 117.241 117.241 116.595 0.646 26065 948 1 19 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.196 0.150 26065 949 1 19 . 1 1 8 8 GLN CA C 8 56.032 56.032 56.097 -0.065 26065 950 1 19 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.751 0.605 26065 951 1 19 . 1 1 8 8 GLN H H 8 8.181 8.181 8.079 0.102 26065 952 1 19 . 1 1 9 9 SER N N 9 115.119 115.119 113.465 1.654 26065 953 1 19 . 1 1 9 9 SER HA H 9 4.342 4.342 4.145 0.197 26065 954 1 19 . 1 1 9 9 SER CA C 9 57.892 57.892 58.336 -0.444 26065 955 1 19 . 1 1 9 9 SER CB C 9 62.875 62.875 61.578 1.298 26065 956 1 19 . 1 1 9 9 SER H H 9 8.225 8.225 7.853 0.372 26065 957 1 19 . 1 1 10 10 CYS N N 10 121.827 121.827 117.764 4.063 26065 958 1 19 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.564 0.224 26065 959 1 19 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.394 -2.986 26065 960 1 19 . 1 1 10 10 CYS CB C 10 39.874 39.874 26.878 12.995 26065 961 1 19 . 1 1 10 10 CYS H H 10 8.335 8.335 7.662 0.673 26065 962 1 19 . 1 1 11 11 PHE N N 11 127.041 127.041 121.628 5.413 26065 963 1 19 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.532 0.216 26065 964 1 19 . 1 1 11 11 PHE CA C 11 56.169 56.169 55.985 0.184 26065 965 1 19 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.465 1.433 26065 966 1 19 . 1 1 11 11 PHE H H 11 8.940 8.940 8.762 0.178 26065 967 1 19 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.505 0.254 26065 968 1 19 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.896 0.455 26065 969 1 19 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.514 -3.329 26065 970 1 20 . 1 1 2 2 ARG N N 2 121.270 121.270 123.065 -1.795 26065 971 1 20 . 1 1 2 2 ARG HA H 2 4.639 4.639 4.785 -0.146 26065 972 1 20 . 1 1 2 2 ARG CA C 2 54.571 54.571 53.258 1.313 26065 973 1 20 . 1 1 2 2 ARG CB C 2 28.854 28.854 30.462 -1.608 26065 974 1 20 . 1 1 2 2 ARG H H 2 7.878 7.878 8.025 -0.147 26065 975 1 20 . 1 1 3 3 PRO HA H 3 4.208 4.208 4.432 -0.224 26065 976 1 20 . 1 1 3 3 PRO CA C 3 63.333 63.333 62.613 0.720 26065 977 1 20 . 1 1 3 3 PRO CB C 3 31.918 31.918 32.173 -0.255 26065 978 1 20 . 1 1 4 4 CYS N N 4 121.206 121.206 119.021 2.185 26065 979 1 20 . 1 1 4 4 CYS HA H 4 4.743 4.743 4.503 0.240 26065 980 1 20 . 1 1 4 4 CYS CA C 4 53.972 53.972 57.049 -3.077 26065 981 1 20 . 1 1 4 4 CYS CB C 4 41.267 41.267 29.779 11.488 26065 982 1 20 . 1 1 4 4 CYS H H 4 8.565 8.565 8.198 0.367 26065 983 1 20 . 1 1 5 5 TYR N N 5 124.390 124.390 123.065 1.325 26065 984 1 20 . 1 1 5 5 TYR HA H 5 4.689 4.689 4.819 -0.130 26065 985 1 20 . 1 1 5 5 TYR CA C 5 58.247 58.247 57.713 0.534 26065 986 1 20 . 1 1 5 5 TYR CB C 5 38.960 38.960 37.984 0.976 26065 987 1 20 . 1 1 5 5 TYR H H 5 8.852 8.852 8.297 0.555 26065 988 1 20 . 1 1 6 6 THR N N 6 111.964 111.964 115.870 -3.906 26065 989 1 20 . 1 1 6 6 THR HA H 6 4.425 4.425 4.553 -0.128 26065 990 1 20 . 1 1 6 6 THR CA C 6 60.849 60.849 61.539 -0.690 26065 991 1 20 . 1 1 6 6 THR CB C 6 70.175 70.175 70.588 -0.413 26065 992 1 20 . 1 1 6 6 THR H H 6 7.853 7.853 8.377 -0.524 26065 993 1 20 . 1 1 7 7 LEU N N 7 121.124 121.124 122.147 -1.023 26065 994 1 20 . 1 1 7 7 LEU HA H 7 4.124 4.124 4.384 -0.260 26065 995 1 20 . 1 1 7 7 LEU CA C 7 56.783 56.783 55.811 0.972 26065 996 1 20 . 1 1 7 7 LEU CB C 7 41.288 41.288 42.245 -0.957 26065 997 1 20 . 1 1 7 7 LEU H H 7 8.478 8.478 8.548 -0.070 26065 998 1 20 . 1 1 8 8 GLN N N 8 117.241 117.241 118.478 -1.237 26065 999 1 20 . 1 1 8 8 GLN HA H 8 4.346 4.346 4.350 -0.004 26065 1000 1 20 . 1 1 8 8 GLN CA C 8 56.032 56.032 55.019 1.013 26065 1001 1 20 . 1 1 8 8 GLN CB C 8 29.356 29.356 28.571 0.785 26065 1002 1 20 . 1 1 8 8 GLN H H 8 8.181 8.181 7.917 0.264 26065 1003 1 20 . 1 1 9 9 SER N N 9 115.119 115.119 114.288 0.831 26065 1004 1 20 . 1 1 9 9 SER HA H 9 4.342 4.342 3.962 0.380 26065 1005 1 20 . 1 1 9 9 SER CA C 9 57.892 57.892 58.694 -0.803 26065 1006 1 20 . 1 1 9 9 SER CB C 9 62.875 62.875 62.488 0.387 26065 1007 1 20 . 1 1 9 9 SER H H 9 8.225 8.225 7.838 0.387 26065 1008 1 20 . 1 1 10 10 CYS N N 10 121.827 121.827 124.376 -2.549 26065 1009 1 20 . 1 1 10 10 CYS HA H 10 4.788 4.788 4.518 0.270 26065 1010 1 20 . 1 1 10 10 CYS CA C 10 54.408 54.408 57.821 -3.413 26065 1011 1 20 . 1 1 10 10 CYS CB C 10 39.874 39.874 28.492 11.382 26065 1012 1 20 . 1 1 10 10 CYS H H 10 8.335 8.335 8.090 0.245 26065 1013 1 20 . 1 1 11 11 PHE N N 11 127.041 127.041 125.913 1.128 26065 1014 1 20 . 1 1 11 11 PHE HA H 11 4.748 4.748 4.767 -0.019 26065 1015 1 20 . 1 1 11 11 PHE CA C 11 56.169 56.169 54.985 1.184 26065 1016 1 20 . 1 1 11 11 PHE CB C 11 39.898 39.898 38.888 1.010 26065 1017 1 20 . 1 1 11 11 PHE H H 11 8.940 8.940 8.417 0.523 26065 1018 1 20 . 1 1 12 12 PRO HA H 12 4.759 4.759 4.499 0.260 26065 1019 1 20 . 1 1 12 12 PRO CA C 12 63.351 63.351 62.914 0.437 26065 1020 1 20 . 1 1 12 12 PRO CB C 12 29.185 29.185 32.458 -3.273 26065 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 9 2.151 0.898 2.074 26065 2 1 1 "Average Difference" HA 11 0.246 -0.082 0.243 26065 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 26065 4 1 1 "Average Difference" CA 11 2.120 0.270 2.206 26065 5 1 1 "Average Difference" CB 11 5.607 -1.969 5.506 26065 6 1 1 "Average Difference" HN 9 0.418 -0.214 0.381 26065 7 1 2 "Average Difference" N 9 2.812 0.271 2.969 26065 8 1 2 "Average Difference" HA 11 0.210 -0.055 0.213 26065 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 26065 10 1 2 "Average Difference" CA 11 1.854 0.543 1.860 26065 11 1 2 "Average Difference" CB 11 5.984 -2.215 5.830 26065 12 1 2 "Average Difference" HN 9 0.346 -0.151 0.331 26065 13 1 3 "Average Difference" N 9 2.240 -0.303 2.354 26065 14 1 3 "Average Difference" HA 11 0.179 0.019 0.187 26065 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 26065 16 1 3 "Average Difference" CA 11 1.424 0.245 1.471 26065 17 1 3 "Average Difference" CB 11 5.078 -1.761 4.996 26065 18 1 3 "Average Difference" HN 9 0.328 -0.151 0.309 26065 19 1 4 "Average Difference" N 9 1.724 0.617 1.707 26065 20 1 4 "Average Difference" HA 11 0.208 0.019 0.217 26065 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 26065 22 1 4 "Average Difference" CA 11 1.507 0.202 1.567 26065 23 1 4 "Average Difference" CB 11 4.907 -1.566 4.877 26065 24 1 4 "Average Difference" HN 9 0.316 -0.152 0.295 26065 25 1 5 "Average Difference" N 9 1.868 0.263 1.962 26065 26 1 5 "Average Difference" HA 11 0.273 0.022 0.285 26065 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 26065 28 1 5 "Average Difference" CA 11 1.614 0.128 1.688 26065 29 1 5 "Average Difference" CB 11 4.937 -1.691 4.864 26065 30 1 5 "Average Difference" HN 9 0.345 -0.164 0.322 26065 31 1 6 "Average Difference" N 9 3.147 0.059 3.337 26065 32 1 6 "Average Difference" HA 11 0.233 -0.047 0.240 26065 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 26065 34 1 6 "Average Difference" CA 11 1.727 0.528 1.724 26065 35 1 6 "Average Difference" CB 11 6.124 -2.153 6.012 26065 36 1 6 "Average Difference" HN 9 0.408 -0.183 0.387 26065 37 1 7 "Average Difference" N 9 2.801 0.171 2.965 26065 38 1 7 "Average Difference" HA 11 0.237 -0.115 0.218 26065 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 26065 40 1 7 "Average Difference" CA 11 1.776 0.378 1.820 26065 41 1 7 "Average Difference" CB 11 6.044 -2.393 5.821 26065 42 1 7 "Average Difference" HN 9 0.378 -0.138 0.373 26065 43 1 8 "Average Difference" N 9 2.322 0.571 2.387 26065 44 1 8 "Average Difference" HA 11 0.165 -0.051 0.165 26065 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 26065 46 1 8 "Average Difference" CA 11 2.254 0.546 2.293 26065 47 1 8 "Average Difference" CB 11 5.725 -2.003 5.625 26065 48 1 8 "Average Difference" HN 9 0.368 -0.191 0.334 26065 49 1 9 "Average Difference" N 9 1.573 0.163 1.659 26065 50 1 9 "Average Difference" HA 11 0.218 -0.019 0.228 26065 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 26065 52 1 9 "Average Difference" CA 11 1.579 0.091 1.653 26065 53 1 9 "Average Difference" CB 11 4.913 -1.729 4.823 26065 54 1 9 "Average Difference" HN 9 0.390 -0.233 0.332 26065 55 1 10 "Average Difference" N 9 2.812 0.271 2.969 26065 56 1 10 "Average Difference" HA 11 0.210 -0.055 0.213 26065 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 26065 58 1 10 "Average Difference" CA 11 1.854 0.543 1.860 26065 59 1 10 "Average Difference" CB 11 5.984 -2.215 5.830 26065 60 1 10 "Average Difference" HN 9 0.346 -0.151 0.331 26065 61 1 11 "Average Difference" N 9 2.835 0.458 2.968 26065 62 1 11 "Average Difference" HA 11 0.229 -0.051 0.234 26065 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 26065 64 1 11 "Average Difference" CA 11 1.673 0.625 1.627 26065 65 1 11 "Average Difference" CB 11 6.023 -2.086 5.926 26065 66 1 11 "Average Difference" HN 9 0.300 -0.017 0.318 26065 67 1 12 "Average Difference" N 9 2.864 0.030 3.037 26065 68 1 12 "Average Difference" HA 11 0.206 -0.098 0.190 26065 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 26065 70 1 12 "Average Difference" CA 11 1.748 0.422 1.779 26065 71 1 12 "Average Difference" CB 11 5.985 -2.244 5.819 26065 72 1 12 "Average Difference" HN 9 0.330 -0.111 0.330 26065 73 1 13 "Average Difference" N 9 2.377 -0.185 2.514 26065 74 1 13 "Average Difference" HA 11 0.230 -0.048 0.236 26065 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 26065 76 1 13 "Average Difference" CA 11 1.460 0.515 1.433 26065 77 1 13 "Average Difference" CB 11 5.419 -2.065 5.255 26065 78 1 13 "Average Difference" HN 9 0.333 -0.116 0.331 26065 79 1 14 "Average Difference" N 9 2.050 1.000 1.898 26065 80 1 14 "Average Difference" HA 11 0.220 -0.064 0.220 26065 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 26065 82 1 14 "Average Difference" CA 11 2.033 0.257 2.115 26065 83 1 14 "Average Difference" CB 11 5.568 -2.003 5.449 26065 84 1 14 "Average Difference" HN 9 0.460 -0.253 0.407 26065 85 1 15 "Average Difference" N 9 3.090 -0.854 3.150 26065 86 1 15 "Average Difference" HA 11 0.194 -0.077 0.187 26065 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 26065 88 1 15 "Average Difference" CA 11 1.373 0.425 1.369 26065 89 1 15 "Average Difference" CB 11 6.096 -2.434 5.862 26065 90 1 15 "Average Difference" HN 9 0.391 -0.196 0.359 26065 91 1 16 "Average Difference" N 9 2.911 -0.746 2.985 26065 92 1 16 "Average Difference" HA 11 0.213 -0.108 0.193 26065 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 26065 94 1 16 "Average Difference" CA 11 1.395 0.540 1.350 26065 95 1 16 "Average Difference" CB 11 6.112 -2.343 5.921 26065 96 1 16 "Average Difference" HN 9 0.384 -0.163 0.368 26065 97 1 17 "Average Difference" N 9 2.967 -0.639 3.074 26065 98 1 17 "Average Difference" HA 11 0.234 -0.091 0.225 26065 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 26065 100 1 17 "Average Difference" CA 11 1.466 0.557 1.422 26065 101 1 17 "Average Difference" CB 11 6.100 -2.419 5.873 26065 102 1 17 "Average Difference" HN 9 0.309 -0.114 0.305 26065 103 1 18 "Average Difference" N 9 2.837 -0.079 3.008 26065 104 1 18 "Average Difference" HA 11 0.194 -0.072 0.189 26065 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 26065 106 1 18 "Average Difference" CA 11 1.695 0.586 1.668 26065 107 1 18 "Average Difference" CB 11 5.993 -2.335 5.789 26065 108 1 18 "Average Difference" HN 9 0.271 -0.082 0.274 26065 109 1 19 "Average Difference" N 9 3.136 -0.508 3.283 26065 110 1 19 "Average Difference" HA 11 0.177 -0.091 0.159 26065 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 26065 112 1 19 "Average Difference" CA 11 1.402 0.503 1.372 26065 113 1 19 "Average Difference" CB 11 6.077 -2.380 5.865 26065 114 1 19 "Average Difference" HN 9 0.371 -0.152 0.359 26065 115 1 20 "Average Difference" N 9 2.001 0.560 2.038 26065 116 1 20 "Average Difference" HA 11 0.216 -0.022 0.226 26065 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 26065 118 1 20 "Average Difference" CA 11 1.605 0.164 1.674 26065 119 1 20 "Average Difference" CB 11 5.034 -1.775 4.940 26065 120 1 20 "Average Difference" HN 9 0.379 -0.178 0.356 26065 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 26065 _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 ARG N N 2 115.207 115.207 116.751 -1.544 26065 2 1 . 1 1 2 2 ARG HA H 2 4.407 4.407 4.548 -0.141 26065 3 1 . 1 1 2 2 ARG CA C 2 51.842 51.842 50.726 1.117 26065 4 1 . 1 1 2 2 ARG CB C 2 27.411 27.411 28.768 -1.357 26065 5 1 . 1 1 2 2 ARG H H 2 7.484 7.484 7.651 -0.167 26065 6 1 . 1 1 3 3 PRO HA H 3 3.998 3.998 4.172 -0.175 26065 7 1 . 1 1 3 3 PRO CA C 3 60.166 60.166 59.675 0.492 26065 8 1 . 1 1 3 3 PRO CB C 3 30.322 30.322 30.402 -0.080 26065 9 1 . 1 1 4 4 CYS N N 4 121.209 121.209 121.809 -0.600 26065 10 1 . 1 1 4 4 CYS HA H 4 4.738 4.738 4.629 0.109 26065 11 1 . 1 1 4 4 CYS CA C 4 54.002 54.002 57.158 -3.156 26065 12 1 . 1 1 4 4 CYS CB C 4 40.646 40.646 27.693 12.953 26065 13 1 . 1 1 4 4 CYS H H 4 8.531 8.531 8.252 0.279 26065 14 1 . 1 1 5 5 TYR N N 5 118.171 118.171 119.844 -1.673 26065 15 1 . 1 1 5 5 TYR HA H 5 4.665 4.665 4.662 0.003 26065 16 1 . 1 1 5 5 TYR CA C 5 58.501 58.501 58.048 0.453 26065 17 1 . 1 1 5 5 TYR CB C 5 38.608 38.608 38.028 0.580 26065 18 1 . 1 1 5 5 TYR H H 5 8.409 8.409 8.054 0.355 26065 19 1 . 1 1 6 6 THR N N 6 112.426 112.426 115.981 -3.555 26065 20 1 . 1 1 6 6 THR HA H 6 4.441 4.441 4.586 -0.145 26065 21 1 . 1 1 6 6 THR CA C 6 60.505 60.505 60.555 -0.050 26065 22 1 . 1 1 6 6 THR CB C 6 68.730 68.730 68.599 0.131 26065 23 1 . 1 1 6 6 THR H H 6 7.889 7.889 8.238 -0.349 26065 24 1 . 1 1 7 7 LEU N N 7 121.287 121.287 121.460 -0.173 26065 25 1 . 1 1 7 7 LEU HA H 7 4.152 4.152 4.248 -0.096 26065 26 1 . 1 1 7 7 LEU CA C 7 56.856 56.856 56.953 -0.097 26065 27 1 . 1 1 7 7 LEU CB C 7 41.172 41.172 41.814 -0.642 26065 28 1 . 1 1 7 7 LEU H H 7 8.497 8.497 8.536 -0.039 26065 29 1 . 1 1 8 8 GLN N N 8 116.977 116.977 116.974 0.004 26065 30 1 . 1 1 8 8 GLN HA H 8 4.350 4.350 4.325 0.025 26065 31 1 . 1 1 8 8 GLN CA C 8 56.273 56.273 55.699 0.574 26065 32 1 . 1 1 8 8 GLN CB C 8 31.397 31.397 30.829 0.568 26065 33 1 . 1 1 8 8 GLN H H 8 8.165 8.165 8.126 0.039 26065 34 1 . 1 1 9 9 SER N N 9 115.419 115.419 114.129 1.290 26065 35 1 . 1 1 9 9 SER HA H 9 4.331 4.331 4.062 0.269 26065 36 1 . 1 1 9 9 SER CA C 9 57.837 57.837 58.444 -0.608 26065 37 1 . 1 1 9 9 SER CB C 9 61.796 61.796 60.692 1.104 26065 38 1 . 1 1 9 9 SER H H 9 8.238 8.238 7.862 0.376 26065 39 1 . 1 1 10 10 CYS N N 10 121.598 121.598 119.823 1.775 26065 40 1 . 1 1 10 10 CYS HA H 10 4.766 4.766 4.488 0.278 26065 41 1 . 1 1 10 10 CYS CA C 10 54.489 54.489 57.839 -3.350 26065 42 1 . 1 1 10 10 CYS CB C 10 39.348 39.348 27.732 11.617 26065 43 1 . 1 1 10 10 CYS H H 10 8.327 8.327 7.847 0.480 26065 44 1 . 1 1 11 11 PHE N N 11 126.445 126.445 122.880 3.565 26065 45 1 . 1 1 11 11 PHE HA H 11 4.728 4.728 4.527 0.200 26065 46 1 . 1 1 11 11 PHE CA C 11 56.255 56.255 56.366 -0.111 26065 47 1 . 1 1 11 11 PHE CB C 11 41.047 41.047 40.023 1.024 26065 48 1 . 1 1 11 11 PHE H H 11 8.904 8.904 8.534 0.370 26065 49 1 . 1 1 12 12 PRO N N 12 6.091 6.091 6.214 -0.123 26065 50 1 . 1 1 12 12 PRO HA H 12 4.760 4.760 4.505 0.255 26065 51 1 . 1 1 12 12 PRO CA C 12 62.904 62.904 62.669 0.235 26065 52 1 . 1 1 12 12 PRO CB C 12 29.719 29.719 32.502 -2.783 26065 53 1 . 1 1 12 12 PRO H H 12 0.417 0.417 0.394 0.023 26065 54 1 . 1 1 11 11 PHE N N 11 6.352 6.352 6.225 0.127 26065 55 1 . 1 1 11 11 PHE HA H 11 0.237 0.237 0.234 0.003 26065 56 1 . 1 1 11 11 PHE CA C 11 2.808 2.808 2.776 0.032 26065 57 1 . 1 1 11 11 PHE CB C 11 1.995 1.995 1.956 0.039 26065 58 1 . 1 1 11 11 PHE H H 11 0.447 0.447 0.416 0.031 26065 59 1 . 1 1 12 12 PRO HA H 12 0.238 0.238 0.226 0.012 26065 60 1 . 1 1 12 12 PRO CA C 12 3.168 3.168 3.136 0.032 26065 61 1 . 1 1 12 12 PRO CB C 12 1.459 1.459 1.633 -0.174 26065 stop_ save_