data_11054_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11054
_Entry.PDB_ID 2RPS
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 VAL HA H 2 4.179 4.184 -0.005 1
1 6 . 1 1 1 A 2 2 VAL H H 2 8.595 7.806 0.789 1
1 7 . 1 1 1 A 2 2 VAL N N 2 120.754 121.981 -1.227 1
1 8 . 1 1 1 A 3 3 GLN HA H 3 4.362 4.832 -0.470 1
1 13 . 1 1 1 A 3 3 GLN H H 3 8.580 7.811 0.769 1
1 14 . 1 1 1 A 3 3 GLN N N 3 125.486 124.285 1.201 1
1 16 . 1 1 1 A 4 4 ILE HA H 4 4.139 3.921 0.218 1
1 26 . 1 1 1 A 4 4 ILE H H 4 8.387 8.452 -0.065 1
1 27 . 1 1 1 A 4 4 ILE N N 4 124.242 120.111 4.131 1
1 28 . 1 1 1 A 5 5 LEU HA H 5 4.412 3.947 0.465 1
1 37 . 1 1 1 A 5 5 LEU H H 5 8.417 7.781 0.636 1
1 38 . 1 1 1 A 5 5 LEU N N 5 127.219 121.091 6.128 1
1 39 . 1 1 1 A 6 6 ARG HA H 6 4.461 3.940 0.521 1
1 45 . 1 1 1 A 6 6 ARG H H 6 8.167 8.079 0.088 1
1 46 . 1 1 1 A 6 6 ARG N N 6 120.754 119.101 1.653 1
1 48 . 1 1 1 A 7 7 CYS HA H 7 5.037 5.264 -0.227 1
1 51 . 1 1 1 A 7 7 CYS H H 7 8.757 8.889 -0.132 1
1 52 . 1 1 1 A 7 7 CYS N N 7 120.534 124.804 -4.270 1
1 53 . 1 1 1 A 9 9 ASP HA H 9 4.381 4.198 0.183 1
1 55 . 1 1 1 A 9 9 ASP H H 9 8.409 8.479 -0.070 1
1 56 . 1 1 1 A 9 9 ASP N N 9 119.426 121.351 -1.925 1
1 57 . 1 1 1 A 10 10 GLY HA2 H 10 4.217 3.987 0.230 1
1 58 . 1 1 1 A 10 10 GLY HA3 H 10 3.708 3.988 -0.280 1
1 59 . 1 1 1 A 10 10 GLY H H 10 8.819 8.886 -0.067 1
1 60 . 1 1 1 A 10 10 GLY N N 10 111.112 111.479 -0.367 1
1 61 . 1 1 1 A 11 11 MET HA H 11 4.984 4.518 0.466 1
1 69 . 1 1 1 A 11 11 MET H H 11 7.990 7.749 0.241 1
1 70 . 1 1 1 A 11 11 MET N N 11 118.125 120.358 -2.233 1
1 71 . 1 1 1 A 12 12 GLN HA H 12 4.616 4.771 -0.155 1
1 76 . 1 1 1 A 12 12 GLN H H 12 9.125 8.695 0.430 1
1 77 . 1 1 1 A 12 12 GLN N N 12 119.055 124.744 -5.689 1
1 79 . 1 1 1 A 13 13 MET HA H 13 4.798 4.857 -0.059 1
1 86 . 1 1 1 A 13 13 MET H H 13 8.704 8.988 -0.284 1
1 87 . 1 1 1 A 13 13 MET N N 13 123.762 125.721 -1.959 1
1 88 . 1 1 1 A 14 14 LEU HA H 14 4.627 4.768 -0.141 1
1 94 . 1 1 1 A 14 14 LEU H H 14 8.823 8.857 -0.034 1
1 95 . 1 1 1 A 14 14 LEU N N 14 127.679 125.328 2.351 1
1 96 . 1 1 1 A 15 15 ARG HA H 15 4.067 4.080 -0.013 1
1 101 . 1 1 1 A 15 15 ARG H H 15 8.958 8.935 0.023 1
1 102 . 1 1 1 A 15 15 ARG N N 15 122.063 122.216 -0.153 1
1 104 . 1 1 1 A 16 16 SER HA H 16 4.270 4.371 -0.101 1
1 107 . 1 1 1 A 16 16 SER H H 16 7.751 7.725 0.026 1
1 108 . 1 1 1 A 16 16 SER N N 16 110.846 114.846 -4.000 1
1 109 . 1 1 1 A 17 17 GLY HA2 H 17 4.368 4.041 0.327 1
1 110 . 1 1 1 A 17 17 GLY HA3 H 17 3.797 4.041 -0.244 1
1 111 . 1 1 1 A 17 17 GLY H H 17 8.272 7.609 0.663 1
1 112 . 1 1 1 A 17 17 GLY N N 17 110.828 108.255 2.573 1
1 113 . 1 1 1 A 18 18 GLN HA H 18 4.341 4.207 0.134 1
1 119 . 1 1 1 A 18 18 GLN H H 18 7.357 7.942 -0.585 1
1 120 . 1 1 1 A 18 18 GLN N N 18 118.617 119.987 -1.370 1
1 122 . 1 1 1 A 19 19 CYS HA H 19 5.386 5.330 0.056 1
1 125 . 1 1 1 A 19 19 CYS H H 19 8.669 8.667 0.002 1
1 126 . 1 1 1 A 19 19 CYS N N 19 121.417 120.758 0.659 1
1 127 . 1 1 1 A 20 20 VAL HA H 20 4.663 4.385 0.278 1
1 135 . 1 1 1 A 20 20 VAL H H 20 9.182 9.216 -0.034 1
1 136 . 1 1 1 A 20 20 VAL N N 20 119.068 126.849 -7.781 1
1 137 . 1 1 1 A 21 21 ALA HA H 21 4.593 4.361 0.232 1
1 141 . 1 1 1 A 21 21 ALA H H 21 8.789 8.514 0.275 1
1 142 . 1 1 1 A 21 21 ALA N N 21 126.246 130.418 -4.172 1
1 143 . 1 1 1 A 22 22 THR HA H 22 4.390 4.354 0.036 1
1 148 . 1 1 1 A 22 22 THR H H 22 8.262 8.302 -0.040 1
1 149 . 1 1 1 A 22 22 THR N N 22 115.107 116.204 -1.097 1
1 150 . 1 1 1 A 23 23 THR HA H 23 4.366 4.609 -0.243 1
1 155 . 1 1 1 A 23 23 THR H H 23 8.109 8.880 -0.771 1
1 156 . 1 1 1 A 23 23 THR N N 23 115.710 122.664 -6.954 1
1 157 . 1 1 1 A 24 24 GLU HA H 24 4.662 4.519 0.143 1
1 161 . 1 1 1 A 24 24 GLU H H 24 8.279 7.557 0.722 1
1 162 . 1 1 1 A 24 24 GLU N N 24 124.041 122.513 1.528 1
1 163 . 1 1 1 A 27 27 PHE HA H 27 4.557 4.463 0.094 1
1 168 . 1 1 1 A 27 27 PHE H H 27 8.287 8.154 0.133 1
1 170 . 1 1 1 A 27 27 PHE N N 27 120.748 119.098 1.650 1
1 173 . 1 1 1 A 28 28 ASP H H 28 8.352 8.756 -0.404 1
1 174 . 1 1 1 A 28 28 ASP N N 28 124.041 123.620 0.421 1
1 175 . 1 1 1 A 30 30 ASP HA H 30 4.649 4.755 -0.106 1
1 178 . 1 1 1 A 30 30 ASP H H 30 8.267 8.589 -0.322 1
1 179 . 1 1 1 A 30 30 ASP N N 30 118.244 122.488 -4.244 1
1 180 . 1 1 1 A 31 31 SER HA H 31 4.374 4.109 0.265 1
1 182 . 1 1 1 A 31 31 SER H H 31 7.828 8.441 -0.613 1
1 183 . 1 1 1 A 31 31 SER N N 31 115.431 111.022 4.409 1
1 1 . 2 1 1 A 2 2 VAL HA H 2 4.179 4.335 -0.156 1
1 6 . 2 1 1 A 2 2 VAL H H 2 8.595 8.840 -0.245 1
1 7 . 2 1 1 A 2 2 VAL N N 2 120.754 126.846 -6.092 1
1 8 . 2 1 1 A 3 3 GLN HA H 3 4.362 4.411 -0.049 1
1 13 . 2 1 1 A 3 3 GLN H H 3 8.580 8.655 -0.075 1
1 14 . 2 1 1 A 3 3 GLN N N 3 125.486 126.929 -1.443 1
1 16 . 2 1 1 A 4 4 ILE HA H 4 4.139 3.923 0.216 1
1 26 . 2 1 1 A 4 4 ILE H H 4 8.387 8.299 0.088 1
1 27 . 2 1 1 A 4 4 ILE N N 4 124.242 120.420 3.822 1
1 28 . 2 1 1 A 5 5 LEU HA H 5 4.412 4.701 -0.289 1
1 37 . 2 1 1 A 5 5 LEU H H 5 8.417 7.786 0.631 1
1 38 . 2 1 1 A 5 5 LEU N N 5 127.219 122.912 4.307 1
1 39 . 2 1 1 A 6 6 ARG HA H 6 4.461 5.008 -0.547 1
1 45 . 2 1 1 A 6 6 ARG H H 6 8.167 9.051 -0.884 1
1 46 . 2 1 1 A 6 6 ARG N N 6 120.754 125.202 -4.448 1
1 48 . 2 1 1 A 7 7 CYS HA H 7 5.037 5.130 -0.093 1
1 51 . 2 1 1 A 7 7 CYS H H 7 8.757 8.672 0.085 1
1 52 . 2 1 1 A 7 7 CYS N N 7 120.534 123.662 -3.128 1
1 53 . 2 1 1 A 9 9 ASP HA H 9 4.381 4.192 0.189 1
1 55 . 2 1 1 A 9 9 ASP H H 9 8.409 8.469 -0.060 1
1 56 . 2 1 1 A 9 9 ASP N N 9 119.426 121.216 -1.790 1
1 57 . 2 1 1 A 10 10 GLY HA2 H 10 4.217 4.006 0.211 1
1 58 . 2 1 1 A 10 10 GLY HA3 H 10 3.708 4.009 -0.301 1
1 59 . 2 1 1 A 10 10 GLY H H 10 8.819 8.838 -0.019 1
1 60 . 2 1 1 A 10 10 GLY N N 10 111.112 111.647 -0.535 1
1 61 . 2 1 1 A 11 11 MET HA H 11 4.984 4.788 0.196 1
1 69 . 2 1 1 A 11 11 MET H H 11 7.990 7.708 0.282 1
1 70 . 2 1 1 A 11 11 MET N N 11 118.125 119.828 -1.703 1
1 71 . 2 1 1 A 12 12 GLN HA H 12 4.616 5.044 -0.428 1
1 76 . 2 1 1 A 12 12 GLN H H 12 9.125 9.375 -0.250 1
1 77 . 2 1 1 A 12 12 GLN N N 12 119.055 121.493 -2.438 1
1 79 . 2 1 1 A 13 13 MET HA H 13 4.798 4.719 0.079 1
1 86 . 2 1 1 A 13 13 MET H H 13 8.704 8.903 -0.199 1
1 87 . 2 1 1 A 13 13 MET N N 13 123.762 122.290 1.472 1
1 88 . 2 1 1 A 14 14 LEU HA H 14 4.627 4.796 -0.169 1
1 94 . 2 1 1 A 14 14 LEU H H 14 8.823 9.157 -0.334 1
1 95 . 2 1 1 A 14 14 LEU N N 14 127.679 122.458 5.221 1
1 96 . 2 1 1 A 15 15 ARG HA H 15 4.067 4.056 0.011 1
1 101 . 2 1 1 A 15 15 ARG H H 15 8.958 8.965 -0.007 1
1 102 . 2 1 1 A 15 15 ARG N N 15 122.063 121.855 0.208 1
1 104 . 2 1 1 A 16 16 SER HA H 16 4.270 4.370 -0.100 1
1 107 . 2 1 1 A 16 16 SER H H 16 7.751 7.732 0.019 1
1 108 . 2 1 1 A 16 16 SER N N 16 110.846 115.407 -4.561 1
1 109 . 2 1 1 A 17 17 GLY HA2 H 17 4.368 4.026 0.342 1
1 110 . 2 1 1 A 17 17 GLY HA3 H 17 3.797 4.027 -0.230 1
1 111 . 2 1 1 A 17 17 GLY H H 17 8.272 7.603 0.669 1
1 112 . 2 1 1 A 17 17 GLY N N 17 110.828 108.222 2.606 1
1 113 . 2 1 1 A 18 18 GLN HA H 18 4.341 4.271 0.070 1
1 119 . 2 1 1 A 18 18 GLN H H 18 7.357 7.960 -0.603 1
1 120 . 2 1 1 A 18 18 GLN N N 18 118.617 119.648 -1.031 1
1 122 . 2 1 1 A 19 19 CYS HA H 19 5.386 5.176 0.210 1
1 125 . 2 1 1 A 19 19 CYS H H 19 8.669 8.569 0.100 1
1 126 . 2 1 1 A 19 19 CYS N N 19 121.417 118.923 2.494 1
1 127 . 2 1 1 A 20 20 VAL HA H 20 4.663 4.776 -0.113 1
1 135 . 2 1 1 A 20 20 VAL H H 20 9.182 8.796 0.386 1
1 136 . 2 1 1 A 20 20 VAL N N 20 119.068 128.466 -9.398 1
1 137 . 2 1 1 A 21 21 ALA HA H 21 4.593 5.027 -0.434 1
1 141 . 2 1 1 A 21 21 ALA H H 21 8.789 8.762 0.027 1
1 142 . 2 1 1 A 21 21 ALA N N 21 126.246 129.080 -2.834 1
1 143 . 2 1 1 A 22 22 THR HA H 22 4.390 4.682 -0.292 1
1 148 . 2 1 1 A 22 22 THR H H 22 8.262 9.224 -0.962 1
1 149 . 2 1 1 A 22 22 THR N N 22 115.107 112.229 2.878 1
1 150 . 2 1 1 A 23 23 THR HA H 23 4.366 4.715 -0.349 1
1 155 . 2 1 1 A 23 23 THR H H 23 8.109 8.144 -0.035 1
1 156 . 2 1 1 A 23 23 THR N N 23 115.710 119.873 -4.163 1
1 157 . 2 1 1 A 24 24 GLU HA H 24 4.662 4.220 0.442 1
1 161 . 2 1 1 A 24 24 GLU H H 24 8.279 7.962 0.317 1
1 162 . 2 1 1 A 24 24 GLU N N 24 124.041 124.101 -0.060 1
1 163 . 2 1 1 A 27 27 PHE HA H 27 4.557 4.848 -0.291 1
1 168 . 2 1 1 A 27 27 PHE H H 27 8.287 8.813 -0.526 1
1 170 . 2 1 1 A 27 27 PHE N N 27 120.748 123.802 -3.054 1
1 173 . 2 1 1 A 28 28 ASP H H 28 8.352 8.034 0.318 1
1 174 . 2 1 1 A 28 28 ASP N N 28 124.041 123.304 0.737 1
1 175 . 2 1 1 A 30 30 ASP HA H 30 4.649 4.556 0.093 1
1 178 . 2 1 1 A 30 30 ASP H H 30 8.267 7.961 0.306 1
1 179 . 2 1 1 A 30 30 ASP N N 30 118.244 115.713 2.531 1
1 180 . 2 1 1 A 31 31 SER HA H 31 4.374 4.230 0.144 1
1 182 . 2 1 1 A 31 31 SER H H 31 7.828 8.156 -0.328 1
1 183 . 2 1 1 A 31 31 SER N N 31 115.431 111.731 3.700 1
1 1 . 3 1 1 A 2 2 VAL HA H 2 4.179 4.106 0.073 1
1 6 . 3 1 1 A 2 2 VAL H H 2 8.595 8.389 0.206 1
1 7 . 3 1 1 A 2 2 VAL N N 2 120.754 124.436 -3.682 1
1 8 . 3 1 1 A 3 3 GLN HA H 3 4.362 4.473 -0.111 1
1 13 . 3 1 1 A 3 3 GLN H H 3 8.580 8.422 0.158 1
1 14 . 3 1 1 A 3 3 GLN N N 3 125.486 124.832 0.654 1
1 16 . 3 1 1 A 4 4 ILE HA H 4 4.139 4.473 -0.334 1
1 26 . 3 1 1 A 4 4 ILE H H 4 8.387 8.992 -0.605 1
1 27 . 3 1 1 A 4 4 ILE N N 4 124.242 125.447 -1.205 1
1 28 . 3 1 1 A 5 5 LEU HA H 5 4.412 4.616 -0.204 1
1 37 . 3 1 1 A 5 5 LEU H H 5 8.417 7.343 1.074 1
1 38 . 3 1 1 A 5 5 LEU N N 5 127.219 123.563 3.656 1
1 39 . 3 1 1 A 6 6 ARG HA H 6 4.461 4.605 -0.144 1
1 45 . 3 1 1 A 6 6 ARG H H 6 8.167 8.375 -0.208 1
1 46 . 3 1 1 A 6 6 ARG N N 6 120.754 123.678 -2.924 1
1 48 . 3 1 1 A 7 7 CYS HA H 7 5.037 4.873 0.164 1
1 51 . 3 1 1 A 7 7 CYS H H 7 8.757 8.522 0.235 1
1 52 . 3 1 1 A 7 7 CYS N N 7 120.534 124.124 -3.590 1
1 53 . 3 1 1 A 9 9 ASP HA H 9 4.381 4.265 0.116 1
1 55 . 3 1 1 A 9 9 ASP H H 9 8.409 8.568 -0.159 1
1 56 . 3 1 1 A 9 9 ASP N N 9 119.426 122.396 -2.970 1
1 57 . 3 1 1 A 10 10 GLY HA2 H 10 4.217 4.007 0.210 1
1 58 . 3 1 1 A 10 10 GLY HA3 H 10 3.708 4.008 -0.300 1
1 59 . 3 1 1 A 10 10 GLY H H 10 8.819 8.789 0.030 1
1 60 . 3 1 1 A 10 10 GLY N N 10 111.112 113.748 -2.636 1
1 61 . 3 1 1 A 11 11 MET HA H 11 4.984 5.484 -0.500 1
1 69 . 3 1 1 A 11 11 MET H H 11 7.990 7.466 0.524 1
1 70 . 3 1 1 A 11 11 MET N N 11 118.125 116.129 1.996 1
1 71 . 3 1 1 A 12 12 GLN HA H 12 4.616 4.847 -0.231 1
1 76 . 3 1 1 A 12 12 GLN H H 12 9.125 8.873 0.252 1
1 77 . 3 1 1 A 12 12 GLN N N 12 119.055 118.282 0.773 1
1 79 . 3 1 1 A 13 13 MET HA H 13 4.798 4.558 0.240 1
1 86 . 3 1 1 A 13 13 MET H H 13 8.704 8.856 -0.152 1
1 87 . 3 1 1 A 13 13 MET N N 13 123.762 124.115 -0.353 1
1 88 . 3 1 1 A 14 14 LEU HA H 14 4.627 4.686 -0.059 1
1 94 . 3 1 1 A 14 14 LEU H H 14 8.823 8.632 0.191 1
1 95 . 3 1 1 A 14 14 LEU N N 14 127.679 126.586 1.093 1
1 96 . 3 1 1 A 15 15 ARG HA H 15 4.067 3.974 0.093 1
1 101 . 3 1 1 A 15 15 ARG H H 15 8.958 8.968 -0.010 1
1 102 . 3 1 1 A 15 15 ARG N N 15 122.063 123.652 -1.589 1
1 104 . 3 1 1 A 16 16 SER HA H 16 4.270 4.463 -0.193 1
1 107 . 3 1 1 A 16 16 SER H H 16 7.751 7.770 -0.019 1
1 108 . 3 1 1 A 16 16 SER N N 16 110.846 112.259 -1.413 1
1 109 . 3 1 1 A 17 17 GLY HA2 H 17 4.368 4.046 0.322 1
1 110 . 3 1 1 A 17 17 GLY HA3 H 17 3.797 4.046 -0.249 1
1 111 . 3 1 1 A 17 17 GLY H H 17 8.272 7.887 0.385 1
1 112 . 3 1 1 A 17 17 GLY N N 17 110.828 108.401 2.427 1
1 113 . 3 1 1 A 18 18 GLN HA H 18 4.341 4.237 0.104 1
1 119 . 3 1 1 A 18 18 GLN H H 18 7.357 7.933 -0.576 1
1 120 . 3 1 1 A 18 18 GLN N N 18 118.617 120.109 -1.492 1
1 122 . 3 1 1 A 19 19 CYS HA H 19 5.386 5.102 0.284 1
1 125 . 3 1 1 A 19 19 CYS H H 19 8.669 8.496 0.173 1
1 126 . 3 1 1 A 19 19 CYS N N 19 121.417 120.862 0.555 1
1 127 . 3 1 1 A 20 20 VAL HA H 20 4.663 4.751 -0.088 1
1 135 . 3 1 1 A 20 20 VAL H H 20 9.182 9.033 0.149 1
1 136 . 3 1 1 A 20 20 VAL N N 20 119.068 126.272 -7.204 1
1 137 . 3 1 1 A 21 21 ALA HA H 21 4.593 4.443 0.150 1
1 141 . 3 1 1 A 21 21 ALA H H 21 8.789 8.641 0.148 1
1 142 . 3 1 1 A 21 21 ALA N N 21 126.246 130.089 -3.843 1
1 143 . 3 1 1 A 22 22 THR HA H 22 4.390 4.511 -0.121 1
1 148 . 3 1 1 A 22 22 THR H H 22 8.262 8.311 -0.049 1
1 149 . 3 1 1 A 22 22 THR N N 22 115.107 116.008 -0.901 1
1 150 . 3 1 1 A 23 23 THR HA H 23 4.366 4.668 -0.302 1
1 155 . 3 1 1 A 23 23 THR H H 23 8.109 7.545 0.564 1
1 156 . 3 1 1 A 23 23 THR N N 23 115.710 115.408 0.302 1
1 157 . 3 1 1 A 24 24 GLU HA H 24 4.662 4.492 0.170 1
1 161 . 3 1 1 A 24 24 GLU H H 24 8.279 7.595 0.684 1
1 162 . 3 1 1 A 24 24 GLU N N 24 124.041 122.926 1.115 1
1 163 . 3 1 1 A 27 27 PHE HA H 27 4.557 4.452 0.105 1
1 168 . 3 1 1 A 27 27 PHE H H 27 8.287 8.805 -0.518 1
1 170 . 3 1 1 A 27 27 PHE N N 27 120.748 119.392 1.356 1
1 173 . 3 1 1 A 28 28 ASP H H 28 8.352 7.669 0.683 1
1 174 . 3 1 1 A 28 28 ASP N N 28 124.041 122.691 1.350 1
1 175 . 3 1 1 A 30 30 ASP HA H 30 4.649 4.273 0.376 1
1 178 . 3 1 1 A 30 30 ASP H H 30 8.267 8.726 -0.459 1
1 179 . 3 1 1 A 30 30 ASP N N 30 118.244 119.993 -1.749 1
1 180 . 3 1 1 A 31 31 SER HA H 31 4.374 4.309 0.065 1
1 182 . 3 1 1 A 31 31 SER H H 31 7.828 7.706 0.122 1
1 183 . 3 1 1 A 31 31 SER N N 31 115.431 115.530 -0.099 1
1 1 . 4 1 1 A 2 2 VAL HA H 2 4.179 4.605 -0.426 1
1 6 . 4 1 1 A 2 2 VAL H H 2 8.595 8.396 0.199 1
1 7 . 4 1 1 A 2 2 VAL N N 2 120.754 119.804 0.950 1
1 8 . 4 1 1 A 3 3 GLN HA H 3 4.362 4.407 -0.045 1
1 13 . 4 1 1 A 3 3 GLN H H 3 8.580 8.508 0.072 1
1 14 . 4 1 1 A 3 3 GLN N N 3 125.486 123.443 2.043 1
1 16 . 4 1 1 A 4 4 ILE HA H 4 4.139 4.452 -0.313 1
1 26 . 4 1 1 A 4 4 ILE H H 4 8.387 8.782 -0.395 1
1 27 . 4 1 1 A 4 4 ILE N N 4 124.242 121.231 3.011 1
1 28 . 4 1 1 A 5 5 LEU HA H 5 4.412 4.508 -0.096 1
1 37 . 4 1 1 A 5 5 LEU H H 5 8.417 7.709 0.708 1
1 38 . 4 1 1 A 5 5 LEU N N 5 127.219 124.053 3.166 1
1 39 . 4 1 1 A 6 6 ARG HA H 6 4.461 4.459 0.002 1
1 45 . 4 1 1 A 6 6 ARG H H 6 8.167 7.771 0.396 1
1 46 . 4 1 1 A 6 6 ARG N N 6 120.754 122.433 -1.679 1
1 48 . 4 1 1 A 7 7 CYS HA H 7 5.037 5.258 -0.221 1
1 51 . 4 1 1 A 7 7 CYS H H 7 8.757 8.803 -0.046 1
1 52 . 4 1 1 A 7 7 CYS N N 7 120.534 122.713 -2.179 1
1 53 . 4 1 1 A 9 9 ASP HA H 9 4.381 4.219 0.162 1
1 55 . 4 1 1 A 9 9 ASP H H 9 8.409 8.472 -0.063 1
1 56 . 4 1 1 A 9 9 ASP N N 9 119.426 121.570 -2.144 1
1 57 . 4 1 1 A 10 10 GLY HA2 H 10 4.217 4.019 0.198 1
1 58 . 4 1 1 A 10 10 GLY HA3 H 10 3.708 4.020 -0.312 1
1 59 . 4 1 1 A 10 10 GLY H H 10 8.819 8.739 0.080 1
1 60 . 4 1 1 A 10 10 GLY N N 10 111.112 111.636 -0.524 1
1 61 . 4 1 1 A 11 11 MET HA H 11 4.984 4.571 0.413 1
1 69 . 4 1 1 A 11 11 MET H H 11 7.990 7.755 0.235 1
1 70 . 4 1 1 A 11 11 MET N N 11 118.125 120.199 -2.074 1
1 71 . 4 1 1 A 12 12 GLN HA H 12 4.616 4.671 -0.055 1
1 76 . 4 1 1 A 12 12 GLN H H 12 9.125 8.815 0.310 1
1 77 . 4 1 1 A 12 12 GLN N N 12 119.055 125.261 -6.206 1
1 79 . 4 1 1 A 13 13 MET HA H 13 4.798 4.839 -0.041 1
1 86 . 4 1 1 A 13 13 MET H H 13 8.704 8.659 0.045 1
1 87 . 4 1 1 A 13 13 MET N N 13 123.762 125.905 -2.143 1
1 88 . 4 1 1 A 14 14 LEU HA H 14 4.627 4.748 -0.121 1
1 94 . 4 1 1 A 14 14 LEU H H 14 8.823 9.174 -0.351 1
1 95 . 4 1 1 A 14 14 LEU N N 14 127.679 124.776 2.903 1
1 96 . 4 1 1 A 15 15 ARG HA H 15 4.067 4.082 -0.015 1
1 101 . 4 1 1 A 15 15 ARG H H 15 8.958 8.926 0.032 1
1 102 . 4 1 1 A 15 15 ARG N N 15 122.063 122.231 -0.168 1
1 104 . 4 1 1 A 16 16 SER HA H 16 4.270 4.437 -0.167 1
1 107 . 4 1 1 A 16 16 SER H H 16 7.751 7.772 -0.021 1
1 108 . 4 1 1 A 16 16 SER N N 16 110.846 115.350 -4.504 1
1 109 . 4 1 1 A 17 17 GLY HA2 H 17 4.368 4.031 0.337 1
1 110 . 4 1 1 A 17 17 GLY HA3 H 17 3.797 4.031 -0.234 1
1 111 . 4 1 1 A 17 17 GLY H H 17 8.272 7.874 0.398 1
1 112 . 4 1 1 A 17 17 GLY N N 17 110.828 108.312 2.516 1
1 113 . 4 1 1 A 18 18 GLN HA H 18 4.341 4.267 0.074 1
1 119 . 4 1 1 A 18 18 GLN H H 18 7.357 7.875 -0.518 1
1 120 . 4 1 1 A 18 18 GLN N N 18 118.617 120.621 -2.004 1
1 122 . 4 1 1 A 19 19 CYS HA H 19 5.386 5.626 -0.240 1
1 125 . 4 1 1 A 19 19 CYS H H 19 8.669 8.594 0.075 1
1 126 . 4 1 1 A 19 19 CYS N N 19 121.417 120.261 1.156 1
1 127 . 4 1 1 A 20 20 VAL HA H 20 4.663 4.584 0.079 1
1 135 . 4 1 1 A 20 20 VAL H H 20 9.182 9.441 -0.259 1
1 136 . 4 1 1 A 20 20 VAL N N 20 119.068 125.841 -6.773 1
1 137 . 4 1 1 A 21 21 ALA HA H 21 4.593 4.334 0.259 1
1 141 . 4 1 1 A 21 21 ALA H H 21 8.789 8.685 0.104 1
1 142 . 4 1 1 A 21 21 ALA N N 21 126.246 130.282 -4.036 1
1 143 . 4 1 1 A 22 22 THR HA H 22 4.390 4.432 -0.042 1
1 148 . 4 1 1 A 22 22 THR H H 22 8.262 8.561 -0.299 1
1 149 . 4 1 1 A 22 22 THR N N 22 115.107 117.348 -2.241 1
1 150 . 4 1 1 A 23 23 THR HA H 23 4.366 4.746 -0.380 1
1 155 . 4 1 1 A 23 23 THR H H 23 8.109 7.865 0.244 1
1 156 . 4 1 1 A 23 23 THR N N 23 115.710 116.182 -0.472 1
1 157 . 4 1 1 A 24 24 GLU HA H 24 4.662 4.218 0.444 1
1 161 . 4 1 1 A 24 24 GLU H H 24 8.279 8.102 0.177 1
1 162 . 4 1 1 A 24 24 GLU N N 24 124.041 122.924 1.117 1
1 163 . 4 1 1 A 27 27 PHE HA H 27 4.557 4.730 -0.173 1
1 168 . 4 1 1 A 27 27 PHE H H 27 8.287 8.636 -0.349 1
1 170 . 4 1 1 A 27 27 PHE N N 27 120.748 121.658 -0.910 1
1 173 . 4 1 1 A 28 28 ASP H H 28 8.352 8.681 -0.329 1
1 174 . 4 1 1 A 28 28 ASP N N 28 124.041 126.574 -2.533 1
1 175 . 4 1 1 A 30 30 ASP HA H 30 4.649 4.652 -0.003 1
1 178 . 4 1 1 A 30 30 ASP H H 30 8.267 8.657 -0.390 1
1 179 . 4 1 1 A 30 30 ASP N N 30 118.244 124.633 -6.389 1
1 180 . 4 1 1 A 31 31 SER HA H 31 4.374 4.721 -0.347 1
1 182 . 4 1 1 A 31 31 SER H H 31 7.828 7.673 0.155 1
1 183 . 4 1 1 A 31 31 SER N N 31 115.431 114.970 0.461 1
1 1 . 5 1 1 A 2 2 VAL HA H 2 4.179 4.362 -0.183 1
1 6 . 5 1 1 A 2 2 VAL H H 2 8.595 8.648 -0.053 1
1 7 . 5 1 1 A 2 2 VAL N N 2 120.754 126.352 -5.598 1
1 8 . 5 1 1 A 3 3 GLN HA H 3 4.362 4.938 -0.576 1
1 13 . 5 1 1 A 3 3 GLN H H 3 8.580 8.494 0.086 1
1 14 . 5 1 1 A 3 3 GLN N N 3 125.486 125.648 -0.162 1
1 16 . 5 1 1 A 4 4 ILE HA H 4 4.139 4.685 -0.546 1
1 26 . 5 1 1 A 4 4 ILE H H 4 8.387 8.735 -0.348 1
1 27 . 5 1 1 A 4 4 ILE N N 4 124.242 121.955 2.287 1
1 28 . 5 1 1 A 5 5 LEU HA H 5 4.412 4.317 0.095 1
1 37 . 5 1 1 A 5 5 LEU H H 5 8.417 7.703 0.714 1
1 38 . 5 1 1 A 5 5 LEU N N 5 127.219 121.510 5.709 1
1 39 . 5 1 1 A 6 6 ARG HA H 6 4.461 3.922 0.539 1
1 45 . 5 1 1 A 6 6 ARG H H 6 8.167 8.031 0.136 1
1 46 . 5 1 1 A 6 6 ARG N N 6 120.754 118.551 2.203 1
1 48 . 5 1 1 A 7 7 CYS HA H 7 5.037 5.160 -0.123 1
1 51 . 5 1 1 A 7 7 CYS H H 7 8.757 8.513 0.244 1
1 52 . 5 1 1 A 7 7 CYS N N 7 120.534 125.315 -4.781 1
1 53 . 5 1 1 A 9 9 ASP HA H 9 4.381 4.191 0.190 1
1 55 . 5 1 1 A 9 9 ASP H H 9 8.409 8.453 -0.044 1
1 56 . 5 1 1 A 9 9 ASP N N 9 119.426 121.544 -2.118 1
1 57 . 5 1 1 A 10 10 GLY HA2 H 10 4.217 3.987 0.230 1
1 58 . 5 1 1 A 10 10 GLY HA3 H 10 3.708 3.987 -0.279 1
1 59 . 5 1 1 A 10 10 GLY H H 10 8.819 8.893 -0.074 1
1 60 . 5 1 1 A 10 10 GLY N N 10 111.112 111.124 -0.012 1
1 61 . 5 1 1 A 11 11 MET HA H 11 4.984 4.657 0.327 1
1 69 . 5 1 1 A 11 11 MET H H 11 7.990 7.683 0.307 1
1 70 . 5 1 1 A 11 11 MET N N 11 118.125 119.965 -1.840 1
1 71 . 5 1 1 A 12 12 GLN HA H 12 4.616 4.796 -0.180 1
1 76 . 5 1 1 A 12 12 GLN H H 12 9.125 9.261 -0.136 1
1 77 . 5 1 1 A 12 12 GLN N N 12 119.055 123.632 -4.577 1
1 79 . 5 1 1 A 13 13 MET HA H 13 4.798 5.118 -0.320 1
1 86 . 5 1 1 A 13 13 MET H H 13 8.704 8.810 -0.106 1
1 87 . 5 1 1 A 13 13 MET N N 13 123.762 121.272 2.490 1
1 88 . 5 1 1 A 14 14 LEU HA H 14 4.627 4.672 -0.045 1
1 94 . 5 1 1 A 14 14 LEU H H 14 8.823 8.374 0.449 1
1 95 . 5 1 1 A 14 14 LEU N N 14 127.679 119.242 8.437 1
1 96 . 5 1 1 A 15 15 ARG HA H 15 4.067 3.961 0.106 1
1 101 . 5 1 1 A 15 15 ARG H H 15 8.958 8.617 0.341 1
1 102 . 5 1 1 A 15 15 ARG N N 15 122.063 119.515 2.548 1
1 104 . 5 1 1 A 16 16 SER HA H 16 4.270 4.394 -0.124 1
1 107 . 5 1 1 A 16 16 SER H H 16 7.751 7.722 0.029 1
1 108 . 5 1 1 A 16 16 SER N N 16 110.846 112.200 -1.354 1
1 109 . 5 1 1 A 17 17 GLY HA2 H 17 4.368 4.041 0.327 1
1 110 . 5 1 1 A 17 17 GLY HA3 H 17 3.797 4.041 -0.244 1
1 111 . 5 1 1 A 17 17 GLY H H 17 8.272 7.667 0.605 1
1 112 . 5 1 1 A 17 17 GLY N N 17 110.828 108.563 2.265 1
1 113 . 5 1 1 A 18 18 GLN HA H 18 4.341 4.249 0.092 1
1 119 . 5 1 1 A 18 18 GLN H H 18 7.357 7.987 -0.630 1
1 120 . 5 1 1 A 18 18 GLN N N 18 118.617 119.710 -1.093 1
1 122 . 5 1 1 A 19 19 CYS HA H 19 5.386 5.340 0.046 1
1 125 . 5 1 1 A 19 19 CYS H H 19 8.669 8.658 0.011 1
1 126 . 5 1 1 A 19 19 CYS N N 19 121.417 119.982 1.435 1
1 127 . 5 1 1 A 20 20 VAL HA H 20 4.663 4.669 -0.006 1
1 135 . 5 1 1 A 20 20 VAL H H 20 9.182 9.029 0.153 1
1 136 . 5 1 1 A 20 20 VAL N N 20 119.068 128.642 -9.574 1
1 137 . 5 1 1 A 21 21 ALA HA H 21 4.593 5.225 -0.632 1
1 141 . 5 1 1 A 21 21 ALA H H 21 8.789 8.771 0.018 1
1 142 . 5 1 1 A 21 21 ALA N N 21 126.246 128.581 -2.335 1
1 143 . 5 1 1 A 22 22 THR HA H 22 4.390 4.487 -0.097 1
1 148 . 5 1 1 A 22 22 THR H H 22 8.262 8.609 -0.347 1
1 149 . 5 1 1 A 22 22 THR N N 22 115.107 118.235 -3.128 1
1 150 . 5 1 1 A 23 23 THR HA H 23 4.366 4.561 -0.195 1
1 155 . 5 1 1 A 23 23 THR H H 23 8.109 7.705 0.404 1
1 156 . 5 1 1 A 23 23 THR N N 23 115.710 119.253 -3.543 1
1 157 . 5 1 1 A 24 24 GLU HA H 24 4.662 4.276 0.386 1
1 161 . 5 1 1 A 24 24 GLU H H 24 8.279 8.572 -0.293 1
1 162 . 5 1 1 A 24 24 GLU N N 24 124.041 126.654 -2.613 1
1 163 . 5 1 1 A 27 27 PHE HA H 27 4.557 4.194 0.363 1
1 168 . 5 1 1 A 27 27 PHE H H 27 8.287 9.010 -0.723 1
1 170 . 5 1 1 A 27 27 PHE N N 27 120.748 121.616 -0.868 1
1 173 . 5 1 1 A 28 28 ASP H H 28 8.352 7.999 0.353 1
1 174 . 5 1 1 A 28 28 ASP N N 28 124.041 123.794 0.247 1
1 175 . 5 1 1 A 30 30 ASP HA H 30 4.649 4.260 0.389 1
1 178 . 5 1 1 A 30 30 ASP H H 30 8.267 8.982 -0.715 1
1 179 . 5 1 1 A 30 30 ASP N N 30 118.244 122.095 -3.851 1
1 180 . 5 1 1 A 31 31 SER HA H 31 4.374 5.158 -0.784 1
1 182 . 5 1 1 A 31 31 SER H H 31 7.828 7.960 -0.132 1
1 183 . 5 1 1 A 31 31 SER N N 31 115.431 112.733 2.698 1
1 1 . 6 1 1 A 2 2 VAL HA H 2 4.179 4.537 -0.358 1
1 6 . 6 1 1 A 2 2 VAL H H 2 8.595 7.618 0.977 1
1 7 . 6 1 1 A 2 2 VAL N N 2 120.754 120.847 -0.093 1
1 8 . 6 1 1 A 3 3 GLN HA H 3 4.362 4.528 -0.166 1
1 13 . 6 1 1 A 3 3 GLN H H 3 8.580 8.892 -0.312 1
1 14 . 6 1 1 A 3 3 GLN N N 3 125.486 127.463 -1.977 1
1 16 . 6 1 1 A 4 4 ILE HA H 4 4.139 4.384 -0.245 1
1 26 . 6 1 1 A 4 4 ILE H H 4 8.387 9.108 -0.721 1
1 27 . 6 1 1 A 4 4 ILE N N 4 124.242 128.774 -4.532 1
1 28 . 6 1 1 A 5 5 LEU HA H 5 4.412 4.503 -0.091 1
1 37 . 6 1 1 A 5 5 LEU H H 5 8.417 7.722 0.695 1
1 38 . 6 1 1 A 5 5 LEU N N 5 127.219 120.549 6.670 1
1 39 . 6 1 1 A 6 6 ARG HA H 6 4.461 3.925 0.536 1
1 45 . 6 1 1 A 6 6 ARG H H 6 8.167 8.076 0.091 1
1 46 . 6 1 1 A 6 6 ARG N N 6 120.754 118.978 1.776 1
1 48 . 6 1 1 A 7 7 CYS HA H 7 5.037 4.875 0.162 1
1 51 . 6 1 1 A 7 7 CYS H H 7 8.757 8.751 0.006 1
1 52 . 6 1 1 A 7 7 CYS N N 7 120.534 124.138 -3.604 1
1 53 . 6 1 1 A 9 9 ASP HA H 9 4.381 4.264 0.117 1
1 55 . 6 1 1 A 9 9 ASP H H 9 8.409 8.581 -0.172 1
1 56 . 6 1 1 A 9 9 ASP N N 9 119.426 122.307 -2.881 1
1 57 . 6 1 1 A 10 10 GLY HA2 H 10 4.217 3.929 0.288 1
1 58 . 6 1 1 A 10 10 GLY HA3 H 10 3.708 3.930 -0.222 1
1 59 . 6 1 1 A 10 10 GLY H H 10 8.819 8.842 -0.023 1
1 60 . 6 1 1 A 10 10 GLY N N 10 111.112 114.229 -3.117 1
1 61 . 6 1 1 A 11 11 MET HA H 11 4.984 4.650 0.334 1
1 69 . 6 1 1 A 11 11 MET H H 11 7.990 7.662 0.328 1
1 70 . 6 1 1 A 11 11 MET N N 11 118.125 120.609 -2.484 1
1 71 . 6 1 1 A 12 12 GLN HA H 12 4.616 4.879 -0.263 1
1 76 . 6 1 1 A 12 12 GLN H H 12 9.125 9.014 0.111 1
1 77 . 6 1 1 A 12 12 GLN N N 12 119.055 123.426 -4.371 1
1 79 . 6 1 1 A 13 13 MET HA H 13 4.798 4.868 -0.070 1
1 86 . 6 1 1 A 13 13 MET H H 13 8.704 8.865 -0.161 1
1 87 . 6 1 1 A 13 13 MET N N 13 123.762 122.925 0.837 1
1 88 . 6 1 1 A 14 14 LEU HA H 14 4.627 4.807 -0.180 1
1 94 . 6 1 1 A 14 14 LEU H H 14 8.823 8.967 -0.144 1
1 95 . 6 1 1 A 14 14 LEU N N 14 127.679 121.956 5.723 1
1 96 . 6 1 1 A 15 15 ARG HA H 15 4.067 4.057 0.010 1
1 101 . 6 1 1 A 15 15 ARG H H 15 8.958 9.027 -0.069 1
1 102 . 6 1 1 A 15 15 ARG N N 15 122.063 121.801 0.262 1
1 104 . 6 1 1 A 16 16 SER HA H 16 4.270 4.351 -0.081 1
1 107 . 6 1 1 A 16 16 SER H H 16 7.751 7.727 0.024 1
1 108 . 6 1 1 A 16 16 SER N N 16 110.846 115.031 -4.185 1
1 109 . 6 1 1 A 17 17 GLY HA2 H 17 4.368 4.035 0.333 1
1 110 . 6 1 1 A 17 17 GLY HA3 H 17 3.797 4.036 -0.239 1
1 111 . 6 1 1 A 17 17 GLY H H 17 8.272 7.622 0.650 1
1 112 . 6 1 1 A 17 17 GLY N N 17 110.828 108.623 2.205 1
1 113 . 6 1 1 A 18 18 GLN HA H 18 4.341 4.305 0.036 1
1 119 . 6 1 1 A 18 18 GLN H H 18 7.357 7.951 -0.594 1
1 120 . 6 1 1 A 18 18 GLN N N 18 118.617 120.274 -1.657 1
1 122 . 6 1 1 A 19 19 CYS HA H 19 5.386 5.477 -0.091 1
1 125 . 6 1 1 A 19 19 CYS H H 19 8.669 8.680 -0.011 1
1 126 . 6 1 1 A 19 19 CYS N N 19 121.417 120.666 0.751 1
1 127 . 6 1 1 A 20 20 VAL HA H 20 4.663 4.774 -0.111 1
1 135 . 6 1 1 A 20 20 VAL H H 20 9.182 8.816 0.366 1
1 136 . 6 1 1 A 20 20 VAL N N 20 119.068 128.387 -9.319 1
1 137 . 6 1 1 A 21 21 ALA HA H 21 4.593 4.700 -0.107 1
1 141 . 6 1 1 A 21 21 ALA H H 21 8.789 8.570 0.219 1
1 142 . 6 1 1 A 21 21 ALA N N 21 126.246 128.555 -2.309 1
1 143 . 6 1 1 A 22 22 THR HA H 22 4.390 4.407 -0.017 1
1 148 . 6 1 1 A 22 22 THR H H 22 8.262 8.777 -0.515 1
1 149 . 6 1 1 A 22 22 THR N N 22 115.107 116.788 -1.681 1
1 150 . 6 1 1 A 23 23 THR HA H 23 4.366 4.786 -0.420 1
1 155 . 6 1 1 A 23 23 THR H H 23 8.109 8.515 -0.406 1
1 156 . 6 1 1 A 23 23 THR N N 23 115.710 123.181 -7.471 1
1 157 . 6 1 1 A 24 24 GLU HA H 24 4.662 4.112 0.550 1
1 161 . 6 1 1 A 24 24 GLU H H 24 8.279 8.078 0.201 1
1 162 . 6 1 1 A 24 24 GLU N N 24 124.041 122.682 1.359 1
1 163 . 6 1 1 A 27 27 PHE HA H 27 4.557 4.883 -0.326 1
1 168 . 6 1 1 A 27 27 PHE H H 27 8.287 8.611 -0.324 1
1 170 . 6 1 1 A 27 27 PHE N N 27 120.748 120.773 -0.025 1
1 173 . 6 1 1 A 28 28 ASP H H 28 8.352 8.346 0.006 1
1 174 . 6 1 1 A 28 28 ASP N N 28 124.041 121.898 2.143 1
1 175 . 6 1 1 A 30 30 ASP HA H 30 4.649 4.824 -0.175 1
1 178 . 6 1 1 A 30 30 ASP H H 30 8.267 7.737 0.530 1
1 179 . 6 1 1 A 30 30 ASP N N 30 118.244 115.272 2.972 1
1 180 . 6 1 1 A 31 31 SER HA H 31 4.374 4.257 0.117 1
1 182 . 6 1 1 A 31 31 SER H H 31 7.828 8.214 -0.386 1
1 183 . 6 1 1 A 31 31 SER N N 31 115.431 111.217 4.214 1
1 1 . 7 1 1 A 2 2 VAL HA H 2 4.179 4.120 0.059 1
1 6 . 7 1 1 A 2 2 VAL H H 2 8.595 8.403 0.192 1
1 7 . 7 1 1 A 2 2 VAL N N 2 120.754 127.485 -6.731 1
1 8 . 7 1 1 A 3 3 GLN HA H 3 4.362 4.325 0.037 1
1 13 . 7 1 1 A 3 3 GLN H H 3 8.580 8.444 0.136 1
1 14 . 7 1 1 A 3 3 GLN N N 3 125.486 124.228 1.258 1
1 16 . 7 1 1 A 4 4 ILE HA H 4 4.139 4.537 -0.398 1
1 26 . 7 1 1 A 4 4 ILE H H 4 8.387 8.529 -0.142 1
1 27 . 7 1 1 A 4 4 ILE N N 4 124.242 126.736 -2.494 1
1 28 . 7 1 1 A 5 5 LEU HA H 5 4.412 4.087 0.325 1
1 37 . 7 1 1 A 5 5 LEU H H 5 8.417 7.917 0.500 1
1 38 . 7 1 1 A 5 5 LEU N N 5 127.219 123.474 3.745 1
1 39 . 7 1 1 A 6 6 ARG HA H 6 4.461 3.906 0.555 1
1 45 . 7 1 1 A 6 6 ARG H H 6 8.167 8.088 0.079 1
1 46 . 7 1 1 A 6 6 ARG N N 6 120.754 118.761 1.993 1
1 48 . 7 1 1 A 7 7 CYS HA H 7 5.037 5.158 -0.121 1
1 51 . 7 1 1 A 7 7 CYS H H 7 8.757 8.232 0.525 1
1 52 . 7 1 1 A 7 7 CYS N N 7 120.534 123.308 -2.774 1
1 53 . 7 1 1 A 9 9 ASP HA H 9 4.381 4.379 0.002 1
1 55 . 7 1 1 A 9 9 ASP H H 9 8.409 8.536 -0.127 1
1 56 . 7 1 1 A 9 9 ASP N N 9 119.426 120.623 -1.197 1
1 57 . 7 1 1 A 10 10 GLY HA2 H 10 4.217 4.009 0.208 1
1 58 . 7 1 1 A 10 10 GLY HA3 H 10 3.708 4.010 -0.302 1
1 59 . 7 1 1 A 10 10 GLY H H 10 8.819 8.850 -0.031 1
1 60 . 7 1 1 A 10 10 GLY N N 10 111.112 112.065 -0.953 1
1 61 . 7 1 1 A 11 11 MET HA H 11 4.984 5.480 -0.496 1
1 69 . 7 1 1 A 11 11 MET H H 11 7.990 7.510 0.480 1
1 70 . 7 1 1 A 11 11 MET N N 11 118.125 116.106 2.019 1
1 71 . 7 1 1 A 12 12 GLN HA H 12 4.616 4.796 -0.180 1
1 76 . 7 1 1 A 12 12 GLN H H 12 9.125 8.730 0.395 1
1 77 . 7 1 1 A 12 12 GLN N N 12 119.055 120.918 -1.863 1
1 79 . 7 1 1 A 13 13 MET HA H 13 4.798 4.469 0.329 1
1 86 . 7 1 1 A 13 13 MET H H 13 8.704 8.608 0.096 1
1 87 . 7 1 1 A 13 13 MET N N 13 123.762 122.723 1.039 1
1 88 . 7 1 1 A 14 14 LEU HA H 14 4.627 4.812 -0.185 1
1 94 . 7 1 1 A 14 14 LEU H H 14 8.823 8.306 0.517 1
1 95 . 7 1 1 A 14 14 LEU N N 14 127.679 121.565 6.114 1
1 96 . 7 1 1 A 15 15 ARG HA H 15 4.067 3.988 0.079 1
1 101 . 7 1 1 A 15 15 ARG H H 15 8.958 8.859 0.099 1
1 102 . 7 1 1 A 15 15 ARG N N 15 122.063 122.948 -0.885 1
1 104 . 7 1 1 A 16 16 SER HA H 16 4.270 4.335 -0.065 1
1 107 . 7 1 1 A 16 16 SER H H 16 7.751 7.736 0.015 1
1 108 . 7 1 1 A 16 16 SER N N 16 110.846 112.917 -2.071 1
1 109 . 7 1 1 A 17 17 GLY HA2 H 17 4.368 4.033 0.335 1
1 110 . 7 1 1 A 17 17 GLY HA3 H 17 3.797 4.033 -0.236 1
1 111 . 7 1 1 A 17 17 GLY H H 17 8.272 7.640 0.632 1
1 112 . 7 1 1 A 17 17 GLY N N 17 110.828 108.777 2.051 1
1 113 . 7 1 1 A 18 18 GLN HA H 18 4.341 4.468 -0.127 1
1 119 . 7 1 1 A 18 18 GLN H H 18 7.357 7.864 -0.507 1
1 120 . 7 1 1 A 18 18 GLN N N 18 118.617 119.395 -0.778 1
1 122 . 7 1 1 A 19 19 CYS HA H 19 5.386 5.860 -0.474 1
1 125 . 7 1 1 A 19 19 CYS H H 19 8.669 8.655 0.014 1
1 126 . 7 1 1 A 19 19 CYS N N 19 121.417 118.437 2.980 1
1 127 . 7 1 1 A 20 20 VAL HA H 20 4.663 4.711 -0.048 1
1 135 . 7 1 1 A 20 20 VAL H H 20 9.182 8.815 0.367 1
1 136 . 7 1 1 A 20 20 VAL N N 20 119.068 126.506 -7.438 1
1 137 . 7 1 1 A 21 21 ALA HA H 21 4.593 4.609 -0.016 1
1 141 . 7 1 1 A 21 21 ALA H H 21 8.789 8.587 0.202 1
1 142 . 7 1 1 A 21 21 ALA N N 21 126.246 127.700 -1.454 1
1 143 . 7 1 1 A 22 22 THR HA H 22 4.390 4.245 0.145 1
1 148 . 7 1 1 A 22 22 THR H H 22 8.262 8.725 -0.463 1
1 149 . 7 1 1 A 22 22 THR N N 22 115.107 120.683 -5.576 1
1 150 . 7 1 1 A 23 23 THR HA H 23 4.366 4.573 -0.207 1
1 155 . 7 1 1 A 23 23 THR H H 23 8.109 8.650 -0.541 1
1 156 . 7 1 1 A 23 23 THR N N 23 115.710 122.449 -6.739 1
1 157 . 7 1 1 A 24 24 GLU HA H 24 4.662 4.475 0.187 1
1 161 . 7 1 1 A 24 24 GLU H H 24 8.279 7.525 0.754 1
1 162 . 7 1 1 A 24 24 GLU N N 24 124.041 123.185 0.856 1
1 163 . 7 1 1 A 27 27 PHE HA H 27 4.557 4.525 0.032 1
1 168 . 7 1 1 A 27 27 PHE H H 27 8.287 8.805 -0.518 1
1 170 . 7 1 1 A 27 27 PHE N N 27 120.748 121.169 -0.421 1
1 173 . 7 1 1 A 28 28 ASP H H 28 8.352 8.423 -0.071 1
1 174 . 7 1 1 A 28 28 ASP N N 28 124.041 124.424 -0.383 1
1 175 . 7 1 1 A 30 30 ASP HA H 30 4.649 4.217 0.432 1
1 178 . 7 1 1 A 30 30 ASP H H 30 8.267 8.068 0.199 1
1 179 . 7 1 1 A 30 30 ASP N N 30 118.244 119.317 -1.073 1
1 180 . 7 1 1 A 31 31 SER HA H 31 4.374 4.240 0.134 1
1 182 . 7 1 1 A 31 31 SER H H 31 7.828 7.610 0.218 1
1 183 . 7 1 1 A 31 31 SER N N 31 115.431 115.942 -0.511 1
1 1 . 8 1 1 A 2 2 VAL HA H 2 4.179 4.469 -0.290 1
1 6 . 8 1 1 A 2 2 VAL H H 2 8.595 8.539 0.056 1
1 7 . 8 1 1 A 2 2 VAL N N 2 120.754 121.902 -1.148 1
1 8 . 8 1 1 A 3 3 GLN HA H 3 4.362 4.666 -0.304 1
1 13 . 8 1 1 A 3 3 GLN H H 3 8.580 8.833 -0.253 1
1 14 . 8 1 1 A 3 3 GLN N N 3 125.486 123.425 2.061 1
1 16 . 8 1 1 A 4 4 ILE HA H 4 4.139 3.928 0.211 1
1 26 . 8 1 1 A 4 4 ILE H H 4 8.387 8.549 -0.162 1
1 27 . 8 1 1 A 4 4 ILE N N 4 124.242 122.130 2.112 1
1 28 . 8 1 1 A 5 5 LEU HA H 5 4.412 4.371 0.041 1
1 37 . 8 1 1 A 5 5 LEU H H 5 8.417 7.492 0.925 1
1 38 . 8 1 1 A 5 5 LEU N N 5 127.219 122.770 4.449 1
1 39 . 8 1 1 A 6 6 ARG HA H 6 4.461 4.401 0.060 1
1 45 . 8 1 1 A 6 6 ARG H H 6 8.167 7.984 0.183 1
1 46 . 8 1 1 A 6 6 ARG N N 6 120.754 124.411 -3.657 1
1 48 . 8 1 1 A 7 7 CYS HA H 7 5.037 5.062 -0.025 1
1 51 . 8 1 1 A 7 7 CYS H H 7 8.757 7.854 0.903 1
1 52 . 8 1 1 A 7 7 CYS N N 7 120.534 119.700 0.834 1
1 53 . 8 1 1 A 9 9 ASP HA H 9 4.381 4.250 0.131 1
1 55 . 8 1 1 A 9 9 ASP H H 9 8.409 8.545 -0.136 1
1 56 . 8 1 1 A 9 9 ASP N N 9 119.426 121.773 -2.347 1
1 57 . 8 1 1 A 10 10 GLY HA2 H 10 4.217 4.021 0.196 1
1 58 . 8 1 1 A 10 10 GLY HA3 H 10 3.708 4.021 -0.313 1
1 59 . 8 1 1 A 10 10 GLY H H 10 8.819 8.715 0.104 1
1 60 . 8 1 1 A 10 10 GLY N N 10 111.112 113.552 -2.440 1
1 61 . 8 1 1 A 11 11 MET HA H 11 4.984 5.217 -0.233 1
1 69 . 8 1 1 A 11 11 MET H H 11 7.990 7.525 0.465 1
1 70 . 8 1 1 A 11 11 MET N N 11 118.125 116.012 2.113 1
1 71 . 8 1 1 A 12 12 GLN HA H 12 4.616 4.963 -0.347 1
1 76 . 8 1 1 A 12 12 GLN H H 12 9.125 8.835 0.290 1
1 77 . 8 1 1 A 12 12 GLN N N 12 119.055 120.953 -1.898 1
1 79 . 8 1 1 A 13 13 MET HA H 13 4.798 4.967 -0.169 1
1 86 . 8 1 1 A 13 13 MET H H 13 8.704 8.865 -0.161 1
1 87 . 8 1 1 A 13 13 MET N N 13 123.762 122.021 1.741 1
1 88 . 8 1 1 A 14 14 LEU HA H 14 4.627 4.815 -0.188 1
1 94 . 8 1 1 A 14 14 LEU H H 14 8.823 8.852 -0.029 1
1 95 . 8 1 1 A 14 14 LEU N N 14 127.679 122.124 5.555 1
1 96 . 8 1 1 A 15 15 ARG HA H 15 4.067 3.961 0.106 1
1 101 . 8 1 1 A 15 15 ARG H H 15 8.958 8.665 0.293 1
1 102 . 8 1 1 A 15 15 ARG N N 15 122.063 122.785 -0.722 1
1 104 . 8 1 1 A 16 16 SER HA H 16 4.270 4.331 -0.061 1
1 107 . 8 1 1 A 16 16 SER H H 16 7.751 7.783 -0.032 1
1 108 . 8 1 1 A 16 16 SER N N 16 110.846 112.838 -1.992 1
1 109 . 8 1 1 A 17 17 GLY HA2 H 17 4.368 4.040 0.328 1
1 110 . 8 1 1 A 17 17 GLY HA3 H 17 3.797 4.040 -0.243 1
1 111 . 8 1 1 A 17 17 GLY H H 17 8.272 7.621 0.651 1
1 112 . 8 1 1 A 17 17 GLY N N 17 110.828 108.464 2.364 1
1 113 . 8 1 1 A 18 18 GLN HA H 18 4.341 4.257 0.084 1
1 119 . 8 1 1 A 18 18 GLN H H 18 7.357 7.974 -0.617 1
1 120 . 8 1 1 A 18 18 GLN N N 18 118.617 119.581 -0.964 1
1 122 . 8 1 1 A 19 19 CYS HA H 19 5.386 5.306 0.080 1
1 125 . 8 1 1 A 19 19 CYS H H 19 8.669 8.557 0.112 1
1 126 . 8 1 1 A 19 19 CYS N N 19 121.417 119.699 1.718 1
1 127 . 8 1 1 A 20 20 VAL HA H 20 4.663 4.803 -0.140 1
1 135 . 8 1 1 A 20 20 VAL H H 20 9.182 8.847 0.335 1
1 136 . 8 1 1 A 20 20 VAL N N 20 119.068 128.136 -9.068 1
1 137 . 8 1 1 A 21 21 ALA HA H 21 4.593 4.664 -0.071 1
1 141 . 8 1 1 A 21 21 ALA H H 21 8.789 8.805 -0.016 1
1 142 . 8 1 1 A 21 21 ALA N N 21 126.246 130.162 -3.916 1
1 143 . 8 1 1 A 22 22 THR HA H 22 4.390 4.590 -0.200 1
1 148 . 8 1 1 A 22 22 THR H H 22 8.262 9.256 -0.994 1
1 149 . 8 1 1 A 22 22 THR N N 22 115.107 118.974 -3.867 1
1 150 . 8 1 1 A 23 23 THR HA H 23 4.366 4.661 -0.295 1
1 155 . 8 1 1 A 23 23 THR H H 23 8.109 7.649 0.460 1
1 156 . 8 1 1 A 23 23 THR N N 23 115.710 116.649 -0.939 1
1 157 . 8 1 1 A 24 24 GLU HA H 24 4.662 4.260 0.402 1
1 161 . 8 1 1 A 24 24 GLU H H 24 8.279 8.094 0.185 1
1 162 . 8 1 1 A 24 24 GLU N N 24 124.041 122.326 1.715 1
1 163 . 8 1 1 A 27 27 PHE HA H 27 4.557 4.729 -0.172 1
1 168 . 8 1 1 A 27 27 PHE H H 27 8.287 8.786 -0.499 1
1 170 . 8 1 1 A 27 27 PHE N N 27 120.748 122.243 -1.495 1
1 173 . 8 1 1 A 28 28 ASP H H 28 8.352 8.137 0.215 1
1 174 . 8 1 1 A 28 28 ASP N N 28 124.041 120.787 3.254 1
1 175 . 8 1 1 A 30 30 ASP HA H 30 4.649 4.929 -0.280 1
1 178 . 8 1 1 A 30 30 ASP H H 30 8.267 8.508 -0.241 1
1 179 . 8 1 1 A 30 30 ASP N N 30 118.244 116.256 1.988 1
1 180 . 8 1 1 A 31 31 SER HA H 31 4.374 4.785 -0.411 1
1 182 . 8 1 1 A 31 31 SER H H 31 7.828 7.624 0.204 1
1 183 . 8 1 1 A 31 31 SER N N 31 115.431 114.007 1.424 1
1 1 . 9 1 1 A 2 2 VAL HA H 2 4.179 4.162 0.017 1
1 6 . 9 1 1 A 2 2 VAL H H 2 8.595 8.460 0.135 1
1 7 . 9 1 1 A 2 2 VAL N N 2 120.754 125.717 -4.963 1
1 8 . 9 1 1 A 3 3 GLN HA H 3 4.362 4.671 -0.309 1
1 13 . 9 1 1 A 3 3 GLN H H 3 8.580 8.479 0.101 1
1 14 . 9 1 1 A 3 3 GLN N N 3 125.486 123.979 1.507 1
1 16 . 9 1 1 A 4 4 ILE HA H 4 4.139 4.375 -0.236 1
1 26 . 9 1 1 A 4 4 ILE H H 4 8.387 9.028 -0.641 1
1 27 . 9 1 1 A 4 4 ILE N N 4 124.242 125.009 -0.767 1
1 28 . 9 1 1 A 5 5 LEU HA H 5 4.412 4.566 -0.154 1
1 37 . 9 1 1 A 5 5 LEU H H 5 8.417 7.750 0.667 1
1 38 . 9 1 1 A 5 5 LEU N N 5 127.219 116.768 10.451 1
1 39 . 9 1 1 A 6 6 ARG HA H 6 4.461 4.285 0.176 1
1 45 . 9 1 1 A 6 6 ARG H H 6 8.167 8.743 -0.576 1
1 46 . 9 1 1 A 6 6 ARG N N 6 120.754 123.197 -2.443 1
1 48 . 9 1 1 A 7 7 CYS HA H 7 5.037 4.996 0.041 1
1 51 . 9 1 1 A 7 7 CYS H H 7 8.757 8.510 0.247 1
1 52 . 9 1 1 A 7 7 CYS N N 7 120.534 122.695 -2.161 1
1 53 . 9 1 1 A 9 9 ASP HA H 9 4.381 4.434 -0.053 1
1 55 . 9 1 1 A 9 9 ASP H H 9 8.409 8.514 -0.105 1
1 56 . 9 1 1 A 9 9 ASP N N 9 119.426 120.500 -1.074 1
1 57 . 9 1 1 A 10 10 GLY HA2 H 10 4.217 3.976 0.241 1
1 58 . 9 1 1 A 10 10 GLY HA3 H 10 3.708 3.977 -0.269 1
1 59 . 9 1 1 A 10 10 GLY H H 10 8.819 8.912 -0.093 1
1 60 . 9 1 1 A 10 10 GLY N N 10 111.112 112.099 -0.987 1
1 61 . 9 1 1 A 11 11 MET HA H 11 4.984 4.737 0.247 1
1 69 . 9 1 1 A 11 11 MET H H 11 7.990 7.661 0.329 1
1 70 . 9 1 1 A 11 11 MET N N 11 118.125 119.945 -1.820 1
1 71 . 9 1 1 A 12 12 GLN HA H 12 4.616 4.771 -0.155 1
1 76 . 9 1 1 A 12 12 GLN H H 12 9.125 9.134 -0.009 1
1 77 . 9 1 1 A 12 12 GLN N N 12 119.055 123.691 -4.636 1
1 79 . 9 1 1 A 13 13 MET HA H 13 4.798 4.604 0.194 1
1 86 . 9 1 1 A 13 13 MET H H 13 8.704 8.849 -0.145 1
1 87 . 9 1 1 A 13 13 MET N N 13 123.762 122.208 1.554 1
1 88 . 9 1 1 A 14 14 LEU HA H 14 4.627 4.797 -0.170 1
1 94 . 9 1 1 A 14 14 LEU H H 14 8.823 9.078 -0.255 1
1 95 . 9 1 1 A 14 14 LEU N N 14 127.679 122.123 5.556 1
1 96 . 9 1 1 A 15 15 ARG HA H 15 4.067 3.954 0.113 1
1 101 . 9 1 1 A 15 15 ARG H H 15 8.958 8.684 0.274 1
1 102 . 9 1 1 A 15 15 ARG N N 15 122.063 122.718 -0.655 1
1 104 . 9 1 1 A 16 16 SER HA H 16 4.270 4.426 -0.156 1
1 107 . 9 1 1 A 16 16 SER H H 16 7.751 7.768 -0.017 1
1 108 . 9 1 1 A 16 16 SER N N 16 110.846 112.245 -1.399 1
1 109 . 9 1 1 A 17 17 GLY HA2 H 17 4.368 4.031 0.337 1
1 110 . 9 1 1 A 17 17 GLY HA3 H 17 3.797 4.031 -0.234 1
1 111 . 9 1 1 A 17 17 GLY H H 17 8.272 7.875 0.397 1
1 112 . 9 1 1 A 17 17 GLY N N 17 110.828 108.416 2.412 1
1 113 . 9 1 1 A 18 18 GLN HA H 18 4.341 4.246 0.095 1
1 119 . 9 1 1 A 18 18 GLN H H 18 7.357 7.982 -0.625 1
1 120 . 9 1 1 A 18 18 GLN N N 18 118.617 119.772 -1.155 1
1 122 . 9 1 1 A 19 19 CYS HA H 19 5.386 5.374 0.012 1
1 125 . 9 1 1 A 19 19 CYS H H 19 8.669 8.661 0.008 1
1 126 . 9 1 1 A 19 19 CYS N N 19 121.417 118.219 3.198 1
1 127 . 9 1 1 A 20 20 VAL HA H 20 4.663 4.776 -0.113 1
1 135 . 9 1 1 A 20 20 VAL H H 20 9.182 9.019 0.163 1
1 136 . 9 1 1 A 20 20 VAL N N 20 119.068 126.518 -7.450 1
1 137 . 9 1 1 A 21 21 ALA HA H 21 4.593 5.339 -0.746 1
1 141 . 9 1 1 A 21 21 ALA H H 21 8.789 8.853 -0.064 1
1 142 . 9 1 1 A 21 21 ALA N N 21 126.246 128.757 -2.511 1
1 143 . 9 1 1 A 22 22 THR HA H 22 4.390 4.658 -0.268 1
1 148 . 9 1 1 A 22 22 THR H H 22 8.262 9.029 -0.767 1
1 149 . 9 1 1 A 22 22 THR N N 22 115.107 115.507 -0.400 1
1 150 . 9 1 1 A 23 23 THR HA H 23 4.366 4.611 -0.245 1
1 155 . 9 1 1 A 23 23 THR H H 23 8.109 8.604 -0.495 1
1 156 . 9 1 1 A 23 23 THR N N 23 115.710 121.500 -5.790 1
1 157 . 9 1 1 A 24 24 GLU HA H 24 4.662 4.287 0.375 1
1 161 . 9 1 1 A 24 24 GLU H H 24 8.279 8.412 -0.133 1
1 162 . 9 1 1 A 24 24 GLU N N 24 124.041 126.089 -2.048 1
1 163 . 9 1 1 A 27 27 PHE HA H 27 4.557 4.745 -0.188 1
1 168 . 9 1 1 A 27 27 PHE H H 27 8.287 8.538 -0.251 1
1 170 . 9 1 1 A 27 27 PHE N N 27 120.748 120.137 0.611 1
1 173 . 9 1 1 A 28 28 ASP H H 28 8.352 8.972 -0.620 1
1 174 . 9 1 1 A 28 28 ASP N N 28 124.041 119.887 4.154 1
1 175 . 9 1 1 A 30 30 ASP HA H 30 4.649 4.672 -0.023 1
1 178 . 9 1 1 A 30 30 ASP H H 30 8.267 8.333 -0.066 1
1 179 . 9 1 1 A 30 30 ASP N N 30 118.244 120.150 -1.906 1
1 180 . 9 1 1 A 31 31 SER HA H 31 4.374 4.549 -0.175 1
1 182 . 9 1 1 A 31 31 SER H H 31 7.828 8.165 -0.337 1
1 183 . 9 1 1 A 31 31 SER N N 31 115.431 114.249 1.182 1
1 1 . 10 1 1 A 2 2 VAL HA H 2 4.179 4.062 0.117 1
1 6 . 10 1 1 A 2 2 VAL H H 2 8.595 8.577 0.018 1
1 7 . 10 1 1 A 2 2 VAL N N 2 120.754 125.274 -4.520 1
1 8 . 10 1 1 A 3 3 GLN HA H 3 4.362 4.698 -0.336 1
1 13 . 10 1 1 A 3 3 GLN H H 3 8.580 8.653 -0.073 1
1 14 . 10 1 1 A 3 3 GLN N N 3 125.486 124.445 1.041 1
1 16 . 10 1 1 A 4 4 ILE HA H 4 4.139 4.516 -0.377 1
1 26 . 10 1 1 A 4 4 ILE H H 4 8.387 8.501 -0.114 1
1 27 . 10 1 1 A 4 4 ILE N N 4 124.242 121.986 2.256 1
1 28 . 10 1 1 A 5 5 LEU HA H 5 4.412 4.388 0.024 1
1 37 . 10 1 1 A 5 5 LEU H H 5 8.417 8.348 0.069 1
1 38 . 10 1 1 A 5 5 LEU N N 5 127.219 127.017 0.202 1
1 39 . 10 1 1 A 6 6 ARG HA H 6 4.461 4.134 0.327 1
1 45 . 10 1 1 A 6 6 ARG H H 6 8.167 7.944 0.223 1
1 46 . 10 1 1 A 6 6 ARG N N 6 120.754 118.209 2.545 1
1 48 . 10 1 1 A 7 7 CYS HA H 7 5.037 4.932 0.105 1
1 51 . 10 1 1 A 7 7 CYS H H 7 8.757 8.688 0.069 1
1 52 . 10 1 1 A 7 7 CYS N N 7 120.534 122.282 -1.748 1
1 53 . 10 1 1 A 9 9 ASP HA H 9 4.381 4.441 -0.060 1
1 55 . 10 1 1 A 9 9 ASP H H 9 8.409 8.576 -0.167 1
1 56 . 10 1 1 A 9 9 ASP N N 9 119.426 120.445 -1.019 1
1 57 . 10 1 1 A 10 10 GLY HA2 H 10 4.217 4.017 0.200 1
1 58 . 10 1 1 A 10 10 GLY HA3 H 10 3.708 4.017 -0.309 1
1 59 . 10 1 1 A 10 10 GLY H H 10 8.819 8.808 0.011 1
1 60 . 10 1 1 A 10 10 GLY N N 10 111.112 112.451 -1.339 1
1 61 . 10 1 1 A 11 11 MET HA H 11 4.984 5.000 -0.016 1
1 69 . 10 1 1 A 11 11 MET H H 11 7.990 7.735 0.255 1
1 70 . 10 1 1 A 11 11 MET N N 11 118.125 119.870 -1.745 1
1 71 . 10 1 1 A 12 12 GLN HA H 12 4.616 4.944 -0.328 1
1 76 . 10 1 1 A 12 12 GLN H H 12 9.125 9.024 0.101 1
1 77 . 10 1 1 A 12 12 GLN N N 12 119.055 122.543 -3.488 1
1 79 . 10 1 1 A 13 13 MET HA H 13 4.798 4.871 -0.073 1
1 86 . 10 1 1 A 13 13 MET H H 13 8.704 8.934 -0.230 1
1 87 . 10 1 1 A 13 13 MET N N 13 123.762 123.957 -0.195 1
1 88 . 10 1 1 A 14 14 LEU HA H 14 4.627 4.685 -0.058 1
1 94 . 10 1 1 A 14 14 LEU H H 14 8.823 8.776 0.047 1
1 95 . 10 1 1 A 14 14 LEU N N 14 127.679 126.088 1.591 1
1 96 . 10 1 1 A 15 15 ARG HA H 15 4.067 4.053 0.014 1
1 101 . 10 1 1 A 15 15 ARG H H 15 8.958 8.913 0.045 1
1 102 . 10 1 1 A 15 15 ARG N N 15 122.063 121.768 0.295 1
1 104 . 10 1 1 A 16 16 SER HA H 16 4.270 4.344 -0.074 1
1 107 . 10 1 1 A 16 16 SER H H 16 7.751 7.782 -0.031 1
1 108 . 10 1 1 A 16 16 SER N N 16 110.846 114.741 -3.895 1
1 109 . 10 1 1 A 17 17 GLY HA2 H 17 4.368 4.050 0.318 1
1 110 . 10 1 1 A 17 17 GLY HA3 H 17 3.797 4.050 -0.253 1
1 111 . 10 1 1 A 17 17 GLY H H 17 8.272 7.655 0.617 1
1 112 . 10 1 1 A 17 17 GLY N N 17 110.828 108.463 2.365 1
1 113 . 10 1 1 A 18 18 GLN HA H 18 4.341 4.271 0.070 1
1 119 . 10 1 1 A 18 18 GLN H H 18 7.357 7.909 -0.552 1
1 120 . 10 1 1 A 18 18 GLN N N 18 118.617 119.752 -1.135 1
1 122 . 10 1 1 A 19 19 CYS HA H 19 5.386 5.330 0.056 1
1 125 . 10 1 1 A 19 19 CYS H H 19 8.669 8.741 -0.072 1
1 126 . 10 1 1 A 19 19 CYS N N 19 121.417 121.418 -0.001 1
1 127 . 10 1 1 A 20 20 VAL HA H 20 4.663 4.759 -0.096 1
1 135 . 10 1 1 A 20 20 VAL H H 20 9.182 8.759 0.423 1
1 136 . 10 1 1 A 20 20 VAL N N 20 119.068 127.999 -8.931 1
1 137 . 10 1 1 A 21 21 ALA HA H 21 4.593 4.954 -0.361 1
1 141 . 10 1 1 A 21 21 ALA H H 21 8.789 8.640 0.149 1
1 142 . 10 1 1 A 21 21 ALA N N 21 126.246 128.205 -1.959 1
1 143 . 10 1 1 A 22 22 THR HA H 22 4.390 4.274 0.116 1
1 148 . 10 1 1 A 22 22 THR H H 22 8.262 9.001 -0.739 1
1 149 . 10 1 1 A 22 22 THR N N 22 115.107 117.204 -2.097 1
1 150 . 10 1 1 A 23 23 THR HA H 23 4.366 4.497 -0.131 1
1 155 . 10 1 1 A 23 23 THR H H 23 8.109 8.296 -0.187 1
1 156 . 10 1 1 A 23 23 THR N N 23 115.710 116.466 -0.756 1
1 157 . 10 1 1 A 24 24 GLU HA H 24 4.662 4.505 0.157 1
1 161 . 10 1 1 A 24 24 GLU H H 24 8.279 7.592 0.687 1
1 162 . 10 1 1 A 24 24 GLU N N 24 124.041 123.111 0.930 1
1 163 . 10 1 1 A 27 27 PHE HA H 27 4.557 4.735 -0.178 1
1 168 . 10 1 1 A 27 27 PHE H H 27 8.287 8.666 -0.379 1
1 170 . 10 1 1 A 27 27 PHE N N 27 120.748 123.162 -2.414 1
1 173 . 10 1 1 A 28 28 ASP H H 28 8.352 8.263 0.089 1
1 174 . 10 1 1 A 28 28 ASP N N 28 124.041 121.971 2.070 1
1 175 . 10 1 1 A 30 30 ASP HA H 30 4.649 4.840 -0.191 1
1 178 . 10 1 1 A 30 30 ASP H H 30 8.267 8.800 -0.533 1
1 179 . 10 1 1 A 30 30 ASP N N 30 118.244 121.416 -3.172 1
1 180 . 10 1 1 A 31 31 SER HA H 31 4.374 4.607 -0.233 1
1 182 . 10 1 1 A 31 31 SER H H 31 7.828 7.996 -0.168 1
1 183 . 10 1 1 A 31 31 SER N N 31 115.431 110.496 4.935 1
1 1 . 11 1 1 A 2 2 VAL HA H 2 4.179 4.207 -0.028 1
1 6 . 11 1 1 A 2 2 VAL H H 2 8.595 8.864 -0.269 1
1 7 . 11 1 1 A 2 2 VAL N N 2 120.754 123.860 -3.106 1
1 8 . 11 1 1 A 3 3 GLN HA H 3 4.362 4.328 0.034 1
1 13 . 11 1 1 A 3 3 GLN H H 3 8.580 7.445 1.135 1
1 14 . 11 1 1 A 3 3 GLN N N 3 125.486 121.063 4.423 1
1 16 . 11 1 1 A 4 4 ILE HA H 4 4.139 4.496 -0.357 1
1 26 . 11 1 1 A 4 4 ILE H H 4 8.387 8.454 -0.067 1
1 27 . 11 1 1 A 4 4 ILE N N 4 124.242 120.784 3.458 1
1 28 . 11 1 1 A 5 5 LEU HA H 5 4.412 4.021 0.391 1
1 37 . 11 1 1 A 5 5 LEU H H 5 8.417 8.128 0.289 1
1 38 . 11 1 1 A 5 5 LEU N N 5 127.219 126.848 0.371 1
1 39 . 11 1 1 A 6 6 ARG HA H 6 4.461 4.206 0.255 1
1 45 . 11 1 1 A 6 6 ARG H H 6 8.167 7.692 0.475 1
1 46 . 11 1 1 A 6 6 ARG N N 6 120.754 120.145 0.609 1
1 48 . 11 1 1 A 7 7 CYS HA H 7 5.037 5.207 -0.170 1
1 51 . 11 1 1 A 7 7 CYS H H 7 8.757 8.771 -0.014 1
1 52 . 11 1 1 A 7 7 CYS N N 7 120.534 125.213 -4.679 1
1 53 . 11 1 1 A 9 9 ASP HA H 9 4.381 4.386 -0.005 1
1 55 . 11 1 1 A 9 9 ASP H H 9 8.409 8.540 -0.131 1
1 56 . 11 1 1 A 9 9 ASP N N 9 119.426 121.068 -1.642 1
1 57 . 11 1 1 A 10 10 GLY HA2 H 10 4.217 4.016 0.201 1
1 58 . 11 1 1 A 10 10 GLY HA3 H 10 3.708 4.018 -0.310 1
1 59 . 11 1 1 A 10 10 GLY H H 10 8.819 8.829 -0.010 1
1 60 . 11 1 1 A 10 10 GLY N N 10 111.112 111.774 -0.662 1
1 61 . 11 1 1 A 11 11 MET HA H 11 4.984 5.105 -0.121 1
1 69 . 11 1 1 A 11 11 MET H H 11 7.990 7.665 0.325 1
1 70 . 11 1 1 A 11 11 MET N N 11 118.125 121.030 -2.905 1
1 71 . 11 1 1 A 12 12 GLN HA H 12 4.616 4.905 -0.289 1
1 76 . 11 1 1 A 12 12 GLN H H 12 9.125 8.631 0.494 1
1 77 . 11 1 1 A 12 12 GLN N N 12 119.055 124.660 -5.605 1
1 79 . 11 1 1 A 13 13 MET HA H 13 4.798 5.274 -0.476 1
1 86 . 11 1 1 A 13 13 MET H H 13 8.704 8.495 0.209 1
1 87 . 11 1 1 A 13 13 MET N N 13 123.762 119.478 4.284 1
1 88 . 11 1 1 A 14 14 LEU HA H 14 4.627 4.674 -0.047 1
1 94 . 11 1 1 A 14 14 LEU H H 14 8.823 8.108 0.715 1
1 95 . 11 1 1 A 14 14 LEU N N 14 127.679 120.149 7.530 1
1 96 . 11 1 1 A 15 15 ARG HA H 15 4.067 3.921 0.146 1
1 101 . 11 1 1 A 15 15 ARG H H 15 8.958 8.590 0.368 1
1 102 . 11 1 1 A 15 15 ARG N N 15 122.063 119.430 2.633 1
1 104 . 11 1 1 A 16 16 SER HA H 16 4.270 4.380 -0.110 1
1 107 . 11 1 1 A 16 16 SER H H 16 7.751 7.765 -0.014 1
1 108 . 11 1 1 A 16 16 SER N N 16 110.846 112.122 -1.276 1
1 109 . 11 1 1 A 17 17 GLY HA2 H 17 4.368 4.024 0.344 1
1 110 . 11 1 1 A 17 17 GLY HA3 H 17 3.797 4.024 -0.227 1
1 111 . 11 1 1 A 17 17 GLY H H 17 8.272 7.661 0.611 1
1 112 . 11 1 1 A 17 17 GLY N N 17 110.828 108.581 2.247 1
1 113 . 11 1 1 A 18 18 GLN HA H 18 4.341 4.258 0.083 1
1 119 . 11 1 1 A 18 18 GLN H H 18 7.357 8.021 -0.664 1
1 120 . 11 1 1 A 18 18 GLN N N 18 118.617 119.962 -1.345 1
1 122 . 11 1 1 A 19 19 CYS HA H 19 5.386 5.659 -0.273 1
1 125 . 11 1 1 A 19 19 CYS H H 19 8.669 8.683 -0.014 1
1 126 . 11 1 1 A 19 19 CYS N N 19 121.417 117.874 3.543 1
1 127 . 11 1 1 A 20 20 VAL HA H 20 4.663 4.733 -0.070 1
1 135 . 11 1 1 A 20 20 VAL H H 20 9.182 8.737 0.445 1
1 136 . 11 1 1 A 20 20 VAL N N 20 119.068 125.354 -6.286 1
1 137 . 11 1 1 A 21 21 ALA HA H 21 4.593 4.628 -0.035 1
1 141 . 11 1 1 A 21 21 ALA H H 21 8.789 8.546 0.243 1
1 142 . 11 1 1 A 21 21 ALA N N 21 126.246 127.820 -1.574 1
1 143 . 11 1 1 A 22 22 THR HA H 22 4.390 4.295 0.095 1
1 148 . 11 1 1 A 22 22 THR H H 22 8.262 8.545 -0.283 1
1 149 . 11 1 1 A 22 22 THR N N 22 115.107 120.538 -5.431 1
1 150 . 11 1 1 A 23 23 THR HA H 23 4.366 4.627 -0.261 1
1 155 . 11 1 1 A 23 23 THR H H 23 8.109 8.855 -0.746 1
1 156 . 11 1 1 A 23 23 THR N N 23 115.710 121.999 -6.289 1
1 157 . 11 1 1 A 24 24 GLU HA H 24 4.662 4.276 0.386 1
1 161 . 11 1 1 A 24 24 GLU H H 24 8.279 8.020 0.259 1
1 162 . 11 1 1 A 24 24 GLU N N 24 124.041 122.034 2.007 1
1 163 . 11 1 1 A 27 27 PHE HA H 27 4.557 4.790 -0.233 1
1 168 . 11 1 1 A 27 27 PHE H H 27 8.287 7.342 0.945 1
1 170 . 11 1 1 A 27 27 PHE N N 27 120.748 117.963 2.785 1
1 173 . 11 1 1 A 28 28 ASP H H 28 8.352 9.067 -0.715 1
1 174 . 11 1 1 A 28 28 ASP N N 28 124.041 119.256 4.785 1
1 175 . 11 1 1 A 30 30 ASP HA H 30 4.649 5.093 -0.444 1
1 178 . 11 1 1 A 30 30 ASP H H 30 8.267 8.430 -0.163 1
1 179 . 11 1 1 A 30 30 ASP N N 30 118.244 116.708 1.536 1
1 180 . 11 1 1 A 31 31 SER HA H 31 4.374 4.740 -0.366 1
1 182 . 11 1 1 A 31 31 SER H H 31 7.828 7.923 -0.095 1
1 183 . 11 1 1 A 31 31 SER N N 31 115.431 114.247 1.184 1
1 1 . 12 1 1 A 2 2 VAL HA H 2 4.179 3.641 0.538 1
1 6 . 12 1 1 A 2 2 VAL H H 2 8.595 8.466 0.129 1
1 7 . 12 1 1 A 2 2 VAL N N 2 120.754 117.801 2.953 1
1 8 . 12 1 1 A 3 3 GLN HA H 3 4.362 4.683 -0.321 1
1 13 . 12 1 1 A 3 3 GLN H H 3 8.580 8.031 0.549 1
1 14 . 12 1 1 A 3 3 GLN N N 3 125.486 119.444 6.042 1
1 16 . 12 1 1 A 4 4 ILE HA H 4 4.139 4.457 -0.318 1
1 26 . 12 1 1 A 4 4 ILE H H 4 8.387 8.407 -0.020 1
1 27 . 12 1 1 A 4 4 ILE N N 4 124.242 120.745 3.497 1
1 28 . 12 1 1 A 5 5 LEU HA H 5 4.412 4.685 -0.273 1
1 37 . 12 1 1 A 5 5 LEU H H 5 8.417 7.497 0.920 1
1 38 . 12 1 1 A 5 5 LEU N N 5 127.219 120.007 7.212 1
1 39 . 12 1 1 A 6 6 ARG HA H 6 4.461 4.294 0.167 1
1 45 . 12 1 1 A 6 6 ARG H H 6 8.167 8.920 -0.753 1
1 46 . 12 1 1 A 6 6 ARG N N 6 120.754 125.368 -4.614 1
1 48 . 12 1 1 A 7 7 CYS HA H 7 5.037 5.075 -0.038 1
1 51 . 12 1 1 A 7 7 CYS H H 7 8.757 7.922 0.835 1
1 52 . 12 1 1 A 7 7 CYS N N 7 120.534 121.936 -1.402 1
1 53 . 12 1 1 A 9 9 ASP HA H 9 4.381 4.215 0.166 1
1 55 . 12 1 1 A 9 9 ASP H H 9 8.409 8.546 -0.137 1
1 56 . 12 1 1 A 9 9 ASP N N 9 119.426 121.856 -2.430 1
1 57 . 12 1 1 A 10 10 GLY HA2 H 10 4.217 3.945 0.272 1
1 58 . 12 1 1 A 10 10 GLY HA3 H 10 3.708 3.945 -0.237 1
1 59 . 12 1 1 A 10 10 GLY H H 10 8.819 8.732 0.087 1
1 60 . 12 1 1 A 10 10 GLY N N 10 111.112 114.015 -2.903 1
1 61 . 12 1 1 A 11 11 MET HA H 11 4.984 5.096 -0.112 1
1 69 . 12 1 1 A 11 11 MET H H 11 7.990 7.723 0.267 1
1 70 . 12 1 1 A 11 11 MET N N 11 118.125 119.739 -1.614 1
1 71 . 12 1 1 A 12 12 GLN HA H 12 4.616 4.840 -0.224 1
1 76 . 12 1 1 A 12 12 GLN H H 12 9.125 8.425 0.700 1
1 77 . 12 1 1 A 12 12 GLN N N 12 119.055 121.354 -2.299 1
1 79 . 12 1 1 A 13 13 MET HA H 13 4.798 4.892 -0.094 1
1 86 . 12 1 1 A 13 13 MET H H 13 8.704 8.643 0.061 1
1 87 . 12 1 1 A 13 13 MET N N 13 123.762 121.612 2.150 1
1 88 . 12 1 1 A 14 14 LEU HA H 14 4.627 4.764 -0.137 1
1 94 . 12 1 1 A 14 14 LEU H H 14 8.823 8.685 0.138 1
1 95 . 12 1 1 A 14 14 LEU N N 14 127.679 124.144 3.535 1
1 96 . 12 1 1 A 15 15 ARG HA H 15 4.067 3.989 0.078 1
1 101 . 12 1 1 A 15 15 ARG H H 15 8.958 8.607 0.351 1
1 102 . 12 1 1 A 15 15 ARG N N 15 122.063 122.220 -0.157 1
1 104 . 12 1 1 A 16 16 SER HA H 16 4.270 4.389 -0.119 1
1 107 . 12 1 1 A 16 16 SER H H 16 7.751 7.875 -0.124 1
1 108 . 12 1 1 A 16 16 SER N N 16 110.846 111.919 -1.073 1
1 109 . 12 1 1 A 17 17 GLY HA2 H 17 4.368 4.016 0.352 1
1 110 . 12 1 1 A 17 17 GLY HA3 H 17 3.797 4.016 -0.219 1
1 111 . 12 1 1 A 17 17 GLY H H 17 8.272 7.774 0.498 1
1 112 . 12 1 1 A 17 17 GLY N N 17 110.828 110.118 0.710 1
1 113 . 12 1 1 A 18 18 GLN HA H 18 4.341 4.345 -0.004 1
1 119 . 12 1 1 A 18 18 GLN H H 18 7.357 7.922 -0.565 1
1 120 . 12 1 1 A 18 18 GLN N N 18 118.617 119.650 -1.033 1
1 122 . 12 1 1 A 19 19 CYS HA H 19 5.386 5.263 0.123 1
1 125 . 12 1 1 A 19 19 CYS H H 19 8.669 8.598 0.071 1
1 126 . 12 1 1 A 19 19 CYS N N 19 121.417 121.860 -0.443 1
1 127 . 12 1 1 A 20 20 VAL HA H 20 4.663 4.729 -0.066 1
1 135 . 12 1 1 A 20 20 VAL H H 20 9.182 8.436 0.746 1
1 136 . 12 1 1 A 20 20 VAL N N 20 119.068 127.214 -8.146 1
1 137 . 12 1 1 A 21 21 ALA HA H 21 4.593 4.732 -0.139 1
1 141 . 12 1 1 A 21 21 ALA H H 21 8.789 8.492 0.297 1
1 142 . 12 1 1 A 21 21 ALA N N 21 126.246 127.781 -1.535 1
1 143 . 12 1 1 A 22 22 THR HA H 22 4.390 4.418 -0.028 1
1 148 . 12 1 1 A 22 22 THR H H 22 8.262 8.868 -0.606 1
1 149 . 12 1 1 A 22 22 THR N N 22 115.107 120.192 -5.085 1
1 150 . 12 1 1 A 23 23 THR HA H 23 4.366 4.615 -0.249 1
1 155 . 12 1 1 A 23 23 THR H H 23 8.109 8.540 -0.431 1
1 156 . 12 1 1 A 23 23 THR N N 23 115.710 123.293 -7.583 1
1 157 . 12 1 1 A 24 24 GLU HA H 24 4.662 4.270 0.392 1
1 161 . 12 1 1 A 24 24 GLU H H 24 8.279 7.767 0.512 1
1 162 . 12 1 1 A 24 24 GLU N N 24 124.041 125.157 -1.116 1
1 163 . 12 1 1 A 27 27 PHE HA H 27 4.557 4.746 -0.189 1
1 168 . 12 1 1 A 27 27 PHE H H 27 8.287 8.608 -0.321 1
1 170 . 12 1 1 A 27 27 PHE N N 27 120.748 120.945 -0.197 1
1 173 . 12 1 1 A 28 28 ASP H H 28 8.352 9.104 -0.752 1
1 174 . 12 1 1 A 28 28 ASP N N 28 124.041 121.970 2.071 1
1 175 . 12 1 1 A 30 30 ASP HA H 30 4.649 4.776 -0.127 1
1 178 . 12 1 1 A 30 30 ASP H H 30 8.267 8.778 -0.511 1
1 179 . 12 1 1 A 30 30 ASP N N 30 118.244 120.911 -2.667 1
1 180 . 12 1 1 A 31 31 SER HA H 31 4.374 4.661 -0.287 1
1 182 . 12 1 1 A 31 31 SER H H 31 7.828 7.856 -0.028 1
1 183 . 12 1 1 A 31 31 SER N N 31 115.431 109.426 6.005 1
1 1 . 13 1 1 A 2 2 VAL HA H 2 4.179 4.214 -0.035 1
1 6 . 13 1 1 A 2 2 VAL H H 2 8.595 8.366 0.229 1
1 7 . 13 1 1 A 2 2 VAL N N 2 120.754 123.802 -3.048 1
1 8 . 13 1 1 A 3 3 GLN HA H 3 4.362 4.891 -0.529 1
1 13 . 13 1 1 A 3 3 GLN H H 3 8.580 8.272 0.308 1
1 14 . 13 1 1 A 3 3 GLN N N 3 125.486 125.001 0.485 1
1 16 . 13 1 1 A 4 4 ILE HA H 4 4.139 3.957 0.182 1
1 26 . 13 1 1 A 4 4 ILE H H 4 8.387 8.730 -0.343 1
1 27 . 13 1 1 A 4 4 ILE N N 4 124.242 125.529 -1.287 1
1 28 . 13 1 1 A 5 5 LEU HA H 5 4.412 3.829 0.583 1
1 37 . 13 1 1 A 5 5 LEU H H 5 8.417 7.772 0.645 1
1 38 . 13 1 1 A 5 5 LEU N N 5 127.219 120.960 6.259 1
1 39 . 13 1 1 A 6 6 ARG HA H 6 4.461 4.165 0.296 1
1 45 . 13 1 1 A 6 6 ARG H H 6 8.167 7.986 0.181 1
1 46 . 13 1 1 A 6 6 ARG N N 6 120.754 118.898 1.856 1
1 48 . 13 1 1 A 7 7 CYS HA H 7 5.037 4.715 0.322 1
1 51 . 13 1 1 A 7 7 CYS H H 7 8.757 8.631 0.126 1
1 52 . 13 1 1 A 7 7 CYS N N 7 120.534 122.086 -1.552 1
1 53 . 13 1 1 A 9 9 ASP HA H 9 4.381 4.230 0.151 1
1 55 . 13 1 1 A 9 9 ASP H H 9 8.409 8.582 -0.173 1
1 56 . 13 1 1 A 9 9 ASP N N 9 119.426 122.791 -3.365 1
1 57 . 13 1 1 A 10 10 GLY HA2 H 10 4.217 3.998 0.219 1
1 58 . 13 1 1 A 10 10 GLY HA3 H 10 3.708 3.998 -0.290 1
1 59 . 13 1 1 A 10 10 GLY H H 10 8.819 8.884 -0.065 1
1 60 . 13 1 1 A 10 10 GLY N N 10 111.112 114.490 -3.378 1
1 61 . 13 1 1 A 11 11 MET HA H 11 4.984 4.738 0.246 1
1 69 . 13 1 1 A 11 11 MET H H 11 7.990 7.687 0.303 1
1 70 . 13 1 1 A 11 11 MET N N 11 118.125 119.846 -1.721 1
1 71 . 13 1 1 A 12 12 GLN HA H 12 4.616 5.009 -0.393 1
1 76 . 13 1 1 A 12 12 GLN H H 12 9.125 8.944 0.181 1
1 77 . 13 1 1 A 12 12 GLN N N 12 119.055 121.379 -2.324 1
1 79 . 13 1 1 A 13 13 MET HA H 13 4.798 4.971 -0.173 1
1 86 . 13 1 1 A 13 13 MET H H 13 8.704 9.034 -0.330 1
1 87 . 13 1 1 A 13 13 MET N N 13 123.762 121.422 2.340 1
1 88 . 13 1 1 A 14 14 LEU HA H 14 4.627 4.583 0.044 1
1 94 . 13 1 1 A 14 14 LEU H H 14 8.823 8.751 0.072 1
1 95 . 13 1 1 A 14 14 LEU N N 14 127.679 123.263 4.416 1
1 96 . 13 1 1 A 15 15 ARG HA H 15 4.067 3.951 0.116 1
1 101 . 13 1 1 A 15 15 ARG H H 15 8.958 8.993 -0.035 1
1 102 . 13 1 1 A 15 15 ARG N N 15 122.063 123.914 -1.851 1
1 104 . 13 1 1 A 16 16 SER HA H 16 4.270 4.376 -0.106 1
1 107 . 13 1 1 A 16 16 SER H H 16 7.751 7.726 0.025 1
1 108 . 13 1 1 A 16 16 SER N N 16 110.846 112.398 -1.552 1
1 109 . 13 1 1 A 17 17 GLY HA2 H 17 4.368 4.042 0.326 1
1 110 . 13 1 1 A 17 17 GLY HA3 H 17 3.797 4.042 -0.245 1
1 111 . 13 1 1 A 17 17 GLY H H 17 8.272 7.612 0.660 1
1 112 . 13 1 1 A 17 17 GLY N N 17 110.828 108.552 2.276 1
1 113 . 13 1 1 A 18 18 GLN HA H 18 4.341 4.215 0.126 1
1 119 . 13 1 1 A 18 18 GLN H H 18 7.357 7.932 -0.575 1
1 120 . 13 1 1 A 18 18 GLN N N 18 118.617 120.135 -1.518 1
1 122 . 13 1 1 A 19 19 CYS HA H 19 5.386 5.285 0.101 1
1 125 . 13 1 1 A 19 19 CYS H H 19 8.669 8.466 0.203 1
1 126 . 13 1 1 A 19 19 CYS N N 19 121.417 121.124 0.293 1
1 127 . 13 1 1 A 20 20 VAL HA H 20 4.663 4.565 0.098 1
1 135 . 13 1 1 A 20 20 VAL H H 20 9.182 8.711 0.471 1
1 136 . 13 1 1 A 20 20 VAL N N 20 119.068 126.803 -7.735 1
1 137 . 13 1 1 A 21 21 ALA HA H 21 4.593 4.591 0.002 1
1 141 . 13 1 1 A 21 21 ALA H H 21 8.789 8.942 -0.153 1
1 142 . 13 1 1 A 21 21 ALA N N 21 126.246 130.098 -3.852 1
1 143 . 13 1 1 A 22 22 THR HA H 22 4.390 4.544 -0.154 1
1 148 . 13 1 1 A 22 22 THR H H 22 8.262 8.436 -0.174 1
1 149 . 13 1 1 A 22 22 THR N N 22 115.107 115.906 -0.799 1
1 150 . 13 1 1 A 23 23 THR HA H 23 4.366 4.729 -0.363 1
1 155 . 13 1 1 A 23 23 THR H H 23 8.109 7.639 0.470 1
1 156 . 13 1 1 A 23 23 THR N N 23 115.710 119.669 -3.959 1
1 157 . 13 1 1 A 24 24 GLU HA H 24 4.662 4.395 0.267 1
1 161 . 13 1 1 A 24 24 GLU H H 24 8.279 8.372 -0.093 1
1 162 . 13 1 1 A 24 24 GLU N N 24 124.041 127.170 -3.129 1
1 163 . 13 1 1 A 27 27 PHE HA H 27 4.557 4.868 -0.311 1
1 168 . 13 1 1 A 27 27 PHE H H 27 8.287 8.488 -0.201 1
1 170 . 13 1 1 A 27 27 PHE N N 27 120.748 119.365 1.383 1
1 173 . 13 1 1 A 28 28 ASP H H 28 8.352 8.850 -0.498 1
1 174 . 13 1 1 A 28 28 ASP N N 28 124.041 121.817 2.224 1
1 175 . 13 1 1 A 30 30 ASP HA H 30 4.649 4.306 0.343 1
1 178 . 13 1 1 A 30 30 ASP H H 30 8.267 8.179 0.088 1
1 179 . 13 1 1 A 30 30 ASP N N 30 118.244 117.631 0.613 1
1 180 . 13 1 1 A 31 31 SER HA H 31 4.374 4.073 0.301 1
1 182 . 13 1 1 A 31 31 SER H H 31 7.828 8.454 -0.626 1
1 183 . 13 1 1 A 31 31 SER N N 31 115.431 108.518 6.913 1
1 1 . 14 1 1 A 2 2 VAL HA H 2 4.179 4.153 0.026 1
1 6 . 14 1 1 A 2 2 VAL H H 2 8.595 8.547 0.048 1
1 7 . 14 1 1 A 2 2 VAL N N 2 120.754 125.361 -4.607 1
1 8 . 14 1 1 A 3 3 GLN HA H 3 4.362 4.529 -0.167 1
1 13 . 14 1 1 A 3 3 GLN H H 3 8.580 8.656 -0.076 1
1 14 . 14 1 1 A 3 3 GLN N N 3 125.486 127.232 -1.746 1
1 16 . 14 1 1 A 4 4 ILE HA H 4 4.139 4.202 -0.063 1
1 26 . 14 1 1 A 4 4 ILE H H 4 8.387 8.796 -0.409 1
1 27 . 14 1 1 A 4 4 ILE N N 4 124.242 124.687 -0.445 1
1 28 . 14 1 1 A 5 5 LEU HA H 5 4.412 4.653 -0.241 1
1 37 . 14 1 1 A 5 5 LEU H H 5 8.417 7.645 0.772 1
1 38 . 14 1 1 A 5 5 LEU N N 5 127.219 120.230 6.989 1
1 39 . 14 1 1 A 6 6 ARG HA H 6 4.461 4.284 0.177 1
1 45 . 14 1 1 A 6 6 ARG H H 6 8.167 8.598 -0.431 1
1 46 . 14 1 1 A 6 6 ARG N N 6 120.754 123.763 -3.009 1
1 48 . 14 1 1 A 7 7 CYS HA H 7 5.037 5.258 -0.221 1
1 51 . 14 1 1 A 7 7 CYS H H 7 8.757 8.519 0.238 1
1 52 . 14 1 1 A 7 7 CYS N N 7 120.534 117.874 2.660 1
1 53 . 14 1 1 A 9 9 ASP HA H 9 4.381 4.197 0.184 1
1 55 . 14 1 1 A 9 9 ASP H H 9 8.409 8.489 -0.080 1
1 56 . 14 1 1 A 9 9 ASP N N 9 119.426 121.775 -2.349 1
1 57 . 14 1 1 A 10 10 GLY HA2 H 10 4.217 3.981 0.236 1
1 58 . 14 1 1 A 10 10 GLY HA3 H 10 3.708 3.982 -0.274 1
1 59 . 14 1 1 A 10 10 GLY H H 10 8.819 8.712 0.107 1
1 60 . 14 1 1 A 10 10 GLY N N 10 111.112 111.645 -0.533 1
1 61 . 14 1 1 A 11 11 MET HA H 11 4.984 5.115 -0.131 1
1 69 . 14 1 1 A 11 11 MET H H 11 7.990 7.490 0.500 1
1 70 . 14 1 1 A 11 11 MET N N 11 118.125 116.138 1.987 1
1 71 . 14 1 1 A 12 12 GLN HA H 12 4.616 5.048 -0.432 1
1 76 . 14 1 1 A 12 12 GLN H H 12 9.125 9.149 -0.024 1
1 77 . 14 1 1 A 12 12 GLN N N 12 119.055 121.699 -2.644 1
1 79 . 14 1 1 A 13 13 MET HA H 13 4.798 4.936 -0.138 1
1 86 . 14 1 1 A 13 13 MET H H 13 8.704 9.003 -0.299 1
1 87 . 14 1 1 A 13 13 MET N N 13 123.762 125.474 -1.712 1
1 88 . 14 1 1 A 14 14 LEU HA H 14 4.627 4.770 -0.143 1
1 94 . 14 1 1 A 14 14 LEU H H 14 8.823 9.232 -0.409 1
1 95 . 14 1 1 A 14 14 LEU N N 14 127.679 125.455 2.224 1
1 96 . 14 1 1 A 15 15 ARG HA H 15 4.067 3.979 0.088 1
1 101 . 14 1 1 A 15 15 ARG H H 15 8.958 8.659 0.299 1
1 102 . 14 1 1 A 15 15 ARG N N 15 122.063 122.695 -0.632 1
1 104 . 14 1 1 A 16 16 SER HA H 16 4.270 4.370 -0.100 1
1 107 . 14 1 1 A 16 16 SER H H 16 7.751 7.692 0.059 1
1 108 . 14 1 1 A 16 16 SER N N 16 110.846 112.759 -1.913 1
1 109 . 14 1 1 A 17 17 GLY HA2 H 17 4.368 4.051 0.317 1
1 110 . 14 1 1 A 17 17 GLY HA3 H 17 3.797 4.051 -0.254 1
1 111 . 14 1 1 A 17 17 GLY H H 17 8.272 7.610 0.662 1
1 112 . 14 1 1 A 17 17 GLY N N 17 110.828 108.589 2.239 1
1 113 . 14 1 1 A 18 18 GLN HA H 18 4.341 4.237 0.104 1
1 119 . 14 1 1 A 18 18 GLN H H 18 7.357 8.014 -0.657 1
1 120 . 14 1 1 A 18 18 GLN N N 18 118.617 119.767 -1.150 1
1 122 . 14 1 1 A 19 19 CYS HA H 19 5.386 5.526 -0.140 1
1 125 . 14 1 1 A 19 19 CYS H H 19 8.669 8.661 0.008 1
1 126 . 14 1 1 A 19 19 CYS N N 19 121.417 119.856 1.561 1
1 127 . 14 1 1 A 20 20 VAL HA H 20 4.663 4.772 -0.109 1
1 135 . 14 1 1 A 20 20 VAL H H 20 9.182 8.859 0.323 1
1 136 . 14 1 1 A 20 20 VAL N N 20 119.068 128.284 -9.216 1
1 137 . 14 1 1 A 21 21 ALA HA H 21 4.593 4.726 -0.133 1
1 141 . 14 1 1 A 21 21 ALA H H 21 8.789 8.623 0.166 1
1 142 . 14 1 1 A 21 21 ALA N N 21 126.246 128.572 -2.326 1
1 143 . 14 1 1 A 22 22 THR HA H 22 4.390 4.488 -0.098 1
1 148 . 14 1 1 A 22 22 THR H H 22 8.262 8.590 -0.328 1
1 149 . 14 1 1 A 22 22 THR N N 22 115.107 113.990 1.117 1
1 150 . 14 1 1 A 23 23 THR HA H 23 4.366 4.608 -0.242 1
1 155 . 14 1 1 A 23 23 THR H H 23 8.109 7.642 0.467 1
1 156 . 14 1 1 A 23 23 THR N N 23 115.710 115.924 -0.214 1
1 157 . 14 1 1 A 24 24 GLU HA H 24 4.662 4.217 0.445 1
1 161 . 14 1 1 A 24 24 GLU H H 24 8.279 8.352 -0.073 1
1 162 . 14 1 1 A 24 24 GLU N N 24 124.041 125.629 -1.588 1
1 163 . 14 1 1 A 27 27 PHE HA H 27 4.557 4.204 0.353 1
1 168 . 14 1 1 A 27 27 PHE H H 27 8.287 9.009 -0.722 1
1 170 . 14 1 1 A 27 27 PHE N N 27 120.748 118.609 2.139 1
1 173 . 14 1 1 A 28 28 ASP H H 28 8.352 8.486 -0.134 1
1 174 . 14 1 1 A 28 28 ASP N N 28 124.041 125.853 -1.812 1
1 175 . 14 1 1 A 30 30 ASP HA H 30 4.649 4.589 0.060 1
1 178 . 14 1 1 A 30 30 ASP H H 30 8.267 8.349 -0.082 1
1 179 . 14 1 1 A 30 30 ASP N N 30 118.244 119.467 -1.223 1
1 180 . 14 1 1 A 31 31 SER HA H 31 4.374 4.107 0.267 1
1 182 . 14 1 1 A 31 31 SER H H 31 7.828 7.932 -0.104 1
1 183 . 14 1 1 A 31 31 SER N N 31 115.431 111.712 3.719 1
1 1 . 15 1 1 A 2 2 VAL HA H 2 4.179 4.117 0.062 1
1 6 . 15 1 1 A 2 2 VAL H H 2 8.595 8.482 0.113 1
1 7 . 15 1 1 A 2 2 VAL N N 2 120.754 126.090 -5.336 1
1 8 . 15 1 1 A 3 3 GLN HA H 3 4.362 4.446 -0.084 1
1 13 . 15 1 1 A 3 3 GLN H H 3 8.580 8.321 0.259 1
1 14 . 15 1 1 A 3 3 GLN N N 3 125.486 122.978 2.508 1
1 16 . 15 1 1 A 4 4 ILE HA H 4 4.139 4.495 -0.356 1
1 26 . 15 1 1 A 4 4 ILE H H 4 8.387 8.497 -0.110 1
1 27 . 15 1 1 A 4 4 ILE N N 4 124.242 120.218 4.024 1
1 28 . 15 1 1 A 5 5 LEU HA H 5 4.412 4.433 -0.021 1
1 37 . 15 1 1 A 5 5 LEU H H 5 8.417 7.811 0.606 1
1 38 . 15 1 1 A 5 5 LEU N N 5 127.219 121.377 5.842 1
1 39 . 15 1 1 A 6 6 ARG HA H 6 4.461 4.342 0.119 1
1 45 . 15 1 1 A 6 6 ARG H H 6 8.167 7.979 0.188 1
1 46 . 15 1 1 A 6 6 ARG N N 6 120.754 118.302 2.452 1
1 48 . 15 1 1 A 7 7 CYS HA H 7 5.037 5.190 -0.153 1
1 51 . 15 1 1 A 7 7 CYS H H 7 8.757 8.390 0.367 1
1 52 . 15 1 1 A 7 7 CYS N N 7 120.534 119.154 1.380 1
1 53 . 15 1 1 A 9 9 ASP HA H 9 4.381 4.376 0.005 1
1 55 . 15 1 1 A 9 9 ASP H H 9 8.409 8.532 -0.123 1
1 56 . 15 1 1 A 9 9 ASP N N 9 119.426 120.604 -1.178 1
1 57 . 15 1 1 A 10 10 GLY HA2 H 10 4.217 4.000 0.217 1
1 58 . 15 1 1 A 10 10 GLY HA3 H 10 3.708 4.003 -0.295 1
1 59 . 15 1 1 A 10 10 GLY H H 10 8.819 8.846 -0.027 1
1 60 . 15 1 1 A 10 10 GLY N N 10 111.112 112.293 -1.181 1
1 61 . 15 1 1 A 11 11 MET HA H 11 4.984 4.964 0.020 1
1 69 . 15 1 1 A 11 11 MET H H 11 7.990 7.740 0.250 1
1 70 . 15 1 1 A 11 11 MET N N 11 118.125 119.428 -1.303 1
1 71 . 15 1 1 A 12 12 GLN HA H 12 4.616 4.684 -0.068 1
1 76 . 15 1 1 A 12 12 GLN H H 12 9.125 8.547 0.578 1
1 77 . 15 1 1 A 12 12 GLN N N 12 119.055 123.271 -4.216 1
1 79 . 15 1 1 A 13 13 MET HA H 13 4.798 4.502 0.296 1
1 86 . 15 1 1 A 13 13 MET H H 13 8.704 8.552 0.152 1
1 87 . 15 1 1 A 13 13 MET N N 13 123.762 123.577 0.185 1
1 88 . 15 1 1 A 14 14 LEU HA H 14 4.627 4.802 -0.175 1
1 94 . 15 1 1 A 14 14 LEU H H 14 8.823 8.534 0.289 1
1 95 . 15 1 1 A 14 14 LEU N N 14 127.679 122.020 5.659 1
1 96 . 15 1 1 A 15 15 ARG HA H 15 4.067 3.965 0.102 1
1 101 . 15 1 1 A 15 15 ARG H H 15 8.958 8.791 0.167 1
1 102 . 15 1 1 A 15 15 ARG N N 15 122.063 123.715 -1.652 1
1 104 . 15 1 1 A 16 16 SER HA H 16 4.270 4.377 -0.107 1
1 107 . 15 1 1 A 16 16 SER H H 16 7.751 7.730 0.021 1
1 108 . 15 1 1 A 16 16 SER N N 16 110.846 112.563 -1.717 1
1 109 . 15 1 1 A 17 17 GLY HA2 H 17 4.368 4.042 0.326 1
1 110 . 15 1 1 A 17 17 GLY HA3 H 17 3.797 4.043 -0.246 1
1 111 . 15 1 1 A 17 17 GLY H H 17 8.272 7.663 0.609 1
1 112 . 15 1 1 A 17 17 GLY N N 17 110.828 108.356 2.472 1
1 113 . 15 1 1 A 18 18 GLN HA H 18 4.341 4.340 0.001 1
1 119 . 15 1 1 A 18 18 GLN H H 18 7.357 7.953 -0.596 1
1 120 . 15 1 1 A 18 18 GLN N N 18 118.617 119.527 -0.910 1
1 122 . 15 1 1 A 19 19 CYS HA H 19 5.386 5.916 -0.530 1
1 125 . 15 1 1 A 19 19 CYS H H 19 8.669 8.601 0.068 1
1 126 . 15 1 1 A 19 19 CYS N N 19 121.417 118.006 3.411 1
1 127 . 15 1 1 A 20 20 VAL HA H 20 4.663 4.697 -0.034 1
1 135 . 15 1 1 A 20 20 VAL H H 20 9.182 8.756 0.426 1
1 136 . 15 1 1 A 20 20 VAL N N 20 119.068 124.800 -5.732 1
1 137 . 15 1 1 A 21 21 ALA HA H 21 4.593 4.730 -0.137 1
1 141 . 15 1 1 A 21 21 ALA H H 21 8.789 8.663 0.126 1
1 142 . 15 1 1 A 21 21 ALA N N 21 126.246 127.273 -1.027 1
1 143 . 15 1 1 A 22 22 THR HA H 22 4.390 4.534 -0.144 1
1 148 . 15 1 1 A 22 22 THR H H 22 8.262 8.857 -0.595 1
1 149 . 15 1 1 A 22 22 THR N N 22 115.107 120.305 -5.198 1
1 150 . 15 1 1 A 23 23 THR HA H 23 4.366 4.607 -0.241 1
1 155 . 15 1 1 A 23 23 THR H H 23 8.109 7.579 0.530 1
1 156 . 15 1 1 A 23 23 THR N N 23 115.710 117.057 -1.347 1
1 157 . 15 1 1 A 24 24 GLU HA H 24 4.662 4.856 -0.194 1
1 161 . 15 1 1 A 24 24 GLU H H 24 8.279 8.398 -0.119 1
1 162 . 15 1 1 A 24 24 GLU N N 24 124.041 125.734 -1.693 1
1 163 . 15 1 1 A 27 27 PHE HA H 27 4.557 4.880 -0.323 1
1 168 . 15 1 1 A 27 27 PHE H H 27 8.287 8.878 -0.591 1
1 170 . 15 1 1 A 27 27 PHE N N 27 120.748 122.397 -1.649 1
1 173 . 15 1 1 A 28 28 ASP H H 28 8.352 7.967 0.385 1
1 174 . 15 1 1 A 28 28 ASP N N 28 124.041 121.596 2.445 1
1 175 . 15 1 1 A 30 30 ASP HA H 30 4.649 4.948 -0.299 1
1 178 . 15 1 1 A 30 30 ASP H H 30 8.267 8.261 0.006 1
1 179 . 15 1 1 A 30 30 ASP N N 30 118.244 117.334 0.910 1
1 180 . 15 1 1 A 31 31 SER HA H 31 4.374 4.532 -0.158 1
1 182 . 15 1 1 A 31 31 SER H H 31 7.828 7.544 0.284 1
1 183 . 15 1 1 A 31 31 SER N N 31 115.431 115.473 -0.042 1
1 1 . 16 1 1 A 2 2 VAL HA H 2 4.179 4.031 0.148 1
1 6 . 16 1 1 A 2 2 VAL H H 2 8.595 7.794 0.801 1
1 7 . 16 1 1 A 2 2 VAL N N 2 120.754 121.677 -0.923 1
1 8 . 16 1 1 A 3 3 GLN HA H 3 4.362 4.441 -0.079 1
1 13 . 16 1 1 A 3 3 GLN H H 3 8.580 8.463 0.117 1
1 14 . 16 1 1 A 3 3 GLN N N 3 125.486 126.893 -1.407 1
1 16 . 16 1 1 A 4 4 ILE HA H 4 4.139 4.338 -0.199 1
1 26 . 16 1 1 A 4 4 ILE H H 4 8.387 8.941 -0.554 1
1 27 . 16 1 1 A 4 4 ILE N N 4 124.242 129.271 -5.029 1
1 28 . 16 1 1 A 5 5 LEU HA H 5 4.412 3.992 0.420 1
1 37 . 16 1 1 A 5 5 LEU H H 5 8.417 7.952 0.465 1
1 38 . 16 1 1 A 5 5 LEU N N 5 127.219 123.362 3.857 1
1 39 . 16 1 1 A 6 6 ARG HA H 6 4.461 3.910 0.551 1
1 45 . 16 1 1 A 6 6 ARG H H 6 8.167 8.072 0.095 1
1 46 . 16 1 1 A 6 6 ARG N N 6 120.754 118.528 2.226 1
1 48 . 16 1 1 A 7 7 CYS HA H 7 5.037 5.043 -0.006 1
1 51 . 16 1 1 A 7 7 CYS H H 7 8.757 7.752 1.005 1
1 52 . 16 1 1 A 7 7 CYS N N 7 120.534 116.360 4.174 1
1 53 . 16 1 1 A 9 9 ASP HA H 9 4.381 4.244 0.137 1
1 55 . 16 1 1 A 9 9 ASP H H 9 8.409 8.580 -0.171 1
1 56 . 16 1 1 A 9 9 ASP N N 9 119.426 122.504 -3.078 1
1 57 . 16 1 1 A 10 10 GLY HA2 H 10 4.217 3.981 0.236 1
1 58 . 16 1 1 A 10 10 GLY HA3 H 10 3.708 3.982 -0.274 1
1 59 . 16 1 1 A 10 10 GLY H H 10 8.819 8.821 -0.002 1
1 60 . 16 1 1 A 10 10 GLY N N 10 111.112 113.790 -2.678 1
1 61 . 16 1 1 A 11 11 MET HA H 11 4.984 4.952 0.032 1
1 69 . 16 1 1 A 11 11 MET H H 11 7.990 7.643 0.347 1
1 70 . 16 1 1 A 11 11 MET N N 11 118.125 117.680 0.445 1
1 71 . 16 1 1 A 12 12 GLN HA H 12 4.616 5.097 -0.481 1
1 76 . 16 1 1 A 12 12 GLN H H 12 9.125 8.773 0.352 1
1 77 . 16 1 1 A 12 12 GLN N N 12 119.055 121.898 -2.843 1
1 79 . 16 1 1 A 13 13 MET HA H 13 4.798 5.060 -0.262 1
1 86 . 16 1 1 A 13 13 MET H H 13 8.704 9.008 -0.304 1
1 87 . 16 1 1 A 13 13 MET N N 13 123.762 124.315 -0.553 1
1 88 . 16 1 1 A 14 14 LEU HA H 14 4.627 4.678 -0.051 1
1 94 . 16 1 1 A 14 14 LEU H H 14 8.823 8.451 0.372 1
1 95 . 16 1 1 A 14 14 LEU N N 14 127.679 120.293 7.386 1
1 96 . 16 1 1 A 15 15 ARG HA H 15 4.067 3.959 0.108 1
1 101 . 16 1 1 A 15 15 ARG H H 15 8.958 8.645 0.313 1
1 102 . 16 1 1 A 15 15 ARG N N 15 122.063 119.566 2.497 1
1 104 . 16 1 1 A 16 16 SER HA H 16 4.270 4.390 -0.120 1
1 107 . 16 1 1 A 16 16 SER H H 16 7.751 7.762 -0.011 1
1 108 . 16 1 1 A 16 16 SER N N 16 110.846 112.200 -1.354 1
1 109 . 16 1 1 A 17 17 GLY HA2 H 17 4.368 4.042 0.326 1
1 110 . 16 1 1 A 17 17 GLY HA3 H 17 3.797 4.042 -0.245 1
1 111 . 16 1 1 A 17 17 GLY H H 17 8.272 7.712 0.560 1
1 112 . 16 1 1 A 17 17 GLY N N 17 110.828 108.472 2.356 1
1 113 . 16 1 1 A 18 18 GLN HA H 18 4.341 4.256 0.085 1
1 119 . 16 1 1 A 18 18 GLN H H 18 7.357 7.990 -0.633 1
1 120 . 16 1 1 A 18 18 GLN N N 18 118.617 119.650 -1.033 1
1 122 . 16 1 1 A 19 19 CYS HA H 19 5.386 5.425 -0.039 1
1 125 . 16 1 1 A 19 19 CYS H H 19 8.669 8.539 0.130 1
1 126 . 16 1 1 A 19 19 CYS N N 19 121.417 119.941 1.476 1
1 127 . 16 1 1 A 20 20 VAL HA H 20 4.663 4.501 0.162 1
1 135 . 16 1 1 A 20 20 VAL H H 20 9.182 8.870 0.312 1
1 136 . 16 1 1 A 20 20 VAL N N 20 119.068 126.458 -7.390 1
1 137 . 16 1 1 A 21 21 ALA HA H 21 4.593 4.783 -0.190 1
1 141 . 16 1 1 A 21 21 ALA H H 21 8.789 8.705 0.084 1
1 142 . 16 1 1 A 21 21 ALA N N 21 126.246 129.367 -3.121 1
1 143 . 16 1 1 A 22 22 THR HA H 22 4.390 4.323 0.067 1
1 148 . 16 1 1 A 22 22 THR H H 22 8.262 8.860 -0.598 1
1 149 . 16 1 1 A 22 22 THR N N 22 115.107 118.572 -3.465 1
1 150 . 16 1 1 A 23 23 THR HA H 23 4.366 4.770 -0.404 1
1 155 . 16 1 1 A 23 23 THR H H 23 8.109 8.708 -0.599 1
1 156 . 16 1 1 A 23 23 THR N N 23 115.710 121.435 -5.725 1
1 157 . 16 1 1 A 24 24 GLU HA H 24 4.662 4.016 0.646 1
1 161 . 16 1 1 A 24 24 GLU H H 24 8.279 8.176 0.103 1
1 162 . 16 1 1 A 24 24 GLU N N 24 124.041 122.966 1.075 1
1 163 . 16 1 1 A 27 27 PHE HA H 27 4.557 5.099 -0.542 1
1 168 . 16 1 1 A 27 27 PHE H H 27 8.287 8.230 0.057 1
1 170 . 16 1 1 A 27 27 PHE N N 27 120.748 119.025 1.723 1
1 173 . 16 1 1 A 28 28 ASP H H 28 8.352 9.555 -1.203 1
1 174 . 16 1 1 A 28 28 ASP N N 28 124.041 121.603 2.438 1
1 175 . 16 1 1 A 30 30 ASP HA H 30 4.649 4.925 -0.276 1
1 178 . 16 1 1 A 30 30 ASP H H 30 8.267 7.565 0.702 1
1 179 . 16 1 1 A 30 30 ASP N N 30 118.244 116.642 1.602 1
1 180 . 16 1 1 A 31 31 SER HA H 31 4.374 4.657 -0.283 1
1 182 . 16 1 1 A 31 31 SER H H 31 7.828 8.102 -0.274 1
1 183 . 16 1 1 A 31 31 SER N N 31 115.431 109.876 5.555 1
1 1 . 17 1 1 A 2 2 VAL HA H 2 4.179 4.037 0.142 1
1 6 . 17 1 1 A 2 2 VAL H H 2 8.595 7.653 0.942 1
1 7 . 17 1 1 A 2 2 VAL N N 2 120.754 122.128 -1.374 1
1 8 . 17 1 1 A 3 3 GLN HA H 3 4.362 4.220 0.142 1
1 13 . 17 1 1 A 3 3 GLN H H 3 8.580 8.419 0.161 1
1 14 . 17 1 1 A 3 3 GLN N N 3 125.486 123.679 1.807 1
1 16 . 17 1 1 A 4 4 ILE HA H 4 4.139 4.483 -0.344 1
1 26 . 17 1 1 A 4 4 ILE H H 4 8.387 8.448 -0.061 1
1 27 . 17 1 1 A 4 4 ILE N N 4 124.242 121.577 2.665 1
1 28 . 17 1 1 A 5 5 LEU HA H 5 4.412 4.185 0.227 1
1 37 . 17 1 1 A 5 5 LEU H H 5 8.417 7.903 0.514 1
1 38 . 17 1 1 A 5 5 LEU N N 5 127.219 126.417 0.802 1
1 39 . 17 1 1 A 6 6 ARG HA H 6 4.461 4.542 -0.081 1
1 45 . 17 1 1 A 6 6 ARG H H 6 8.167 7.600 0.567 1
1 46 . 17 1 1 A 6 6 ARG N N 6 120.754 117.931 2.823 1
1 48 . 17 1 1 A 7 7 CYS HA H 7 5.037 5.158 -0.121 1
1 51 . 17 1 1 A 7 7 CYS H H 7 8.757 8.600 0.157 1
1 52 . 17 1 1 A 7 7 CYS N N 7 120.534 123.915 -3.381 1
1 53 . 17 1 1 A 9 9 ASP HA H 9 4.381 4.410 -0.029 1
1 55 . 17 1 1 A 9 9 ASP H H 9 8.409 8.564 -0.155 1
1 56 . 17 1 1 A 9 9 ASP N N 9 119.426 121.010 -1.584 1
1 57 . 17 1 1 A 10 10 GLY HA2 H 10 4.217 3.976 0.241 1
1 58 . 17 1 1 A 10 10 GLY HA3 H 10 3.708 3.977 -0.269 1
1 59 . 17 1 1 A 10 10 GLY H H 10 8.819 8.926 -0.107 1
1 60 . 17 1 1 A 10 10 GLY N N 10 111.112 112.044 -0.932 1
1 61 . 17 1 1 A 11 11 MET HA H 11 4.984 5.066 -0.082 1
1 69 . 17 1 1 A 11 11 MET H H 11 7.990 7.592 0.398 1
1 70 . 17 1 1 A 11 11 MET N N 11 118.125 122.006 -3.881 1
1 71 . 17 1 1 A 12 12 GLN HA H 12 4.616 4.726 -0.110 1
1 76 . 17 1 1 A 12 12 GLN H H 12 9.125 8.596 0.529 1
1 77 . 17 1 1 A 12 12 GLN N N 12 119.055 126.366 -7.311 1
1 79 . 17 1 1 A 13 13 MET HA H 13 4.798 4.822 -0.024 1
1 86 . 17 1 1 A 13 13 MET H H 13 8.704 8.776 -0.072 1
1 87 . 17 1 1 A 13 13 MET N N 13 123.762 121.904 1.858 1
1 88 . 17 1 1 A 14 14 LEU HA H 14 4.627 4.780 -0.153 1
1 94 . 17 1 1 A 14 14 LEU H H 14 8.823 8.979 -0.156 1
1 95 . 17 1 1 A 14 14 LEU N N 14 127.679 122.592 5.087 1
1 96 . 17 1 1 A 15 15 ARG HA H 15 4.067 4.061 0.006 1
1 101 . 17 1 1 A 15 15 ARG H H 15 8.958 9.026 -0.068 1
1 102 . 17 1 1 A 15 15 ARG N N 15 122.063 121.809 0.254 1
1 104 . 17 1 1 A 16 16 SER HA H 16 4.270 4.445 -0.175 1
1 107 . 17 1 1 A 16 16 SER H H 16 7.751 7.778 -0.027 1
1 108 . 17 1 1 A 16 16 SER N N 16 110.846 114.533 -3.687 1
1 109 . 17 1 1 A 17 17 GLY HA2 H 17 4.368 4.032 0.336 1
1 110 . 17 1 1 A 17 17 GLY HA3 H 17 3.797 4.032 -0.235 1
1 111 . 17 1 1 A 17 17 GLY H H 17 8.272 7.883 0.389 1
1 112 . 17 1 1 A 17 17 GLY N N 17 110.828 108.433 2.395 1
1 113 . 17 1 1 A 18 18 GLN HA H 18 4.341 4.256 0.085 1
1 119 . 17 1 1 A 18 18 GLN H H 18 7.357 8.006 -0.649 1
1 120 . 17 1 1 A 18 18 GLN N N 18 118.617 119.741 -1.124 1
1 122 . 17 1 1 A 19 19 CYS HA H 19 5.386 5.200 0.186 1
1 125 . 17 1 1 A 19 19 CYS H H 19 8.669 8.577 0.092 1
1 126 . 17 1 1 A 19 19 CYS N N 19 121.417 119.902 1.515 1
1 127 . 17 1 1 A 20 20 VAL HA H 20 4.663 4.219 0.444 1
1 135 . 17 1 1 A 20 20 VAL H H 20 9.182 8.845 0.337 1
1 136 . 17 1 1 A 20 20 VAL N N 20 119.068 128.641 -9.573 1
1 137 . 17 1 1 A 21 21 ALA HA H 21 4.593 4.335 0.258 1
1 141 . 17 1 1 A 21 21 ALA H H 21 8.789 8.469 0.320 1
1 142 . 17 1 1 A 21 21 ALA N N 21 126.246 130.529 -4.283 1
1 143 . 17 1 1 A 22 22 THR HA H 22 4.390 4.468 -0.078 1
1 148 . 17 1 1 A 22 22 THR H H 22 8.262 8.621 -0.359 1
1 149 . 17 1 1 A 22 22 THR N N 22 115.107 118.320 -3.213 1
1 150 . 17 1 1 A 23 23 THR HA H 23 4.366 4.461 -0.095 1
1 155 . 17 1 1 A 23 23 THR H H 23 8.109 7.819 0.290 1
1 156 . 17 1 1 A 23 23 THR N N 23 115.710 116.061 -0.351 1
1 157 . 17 1 1 A 24 24 GLU HA H 24 4.662 4.765 -0.103 1
1 161 . 17 1 1 A 24 24 GLU H H 24 8.279 7.834 0.445 1
1 162 . 17 1 1 A 24 24 GLU N N 24 124.041 122.954 1.087 1
1 163 . 17 1 1 A 27 27 PHE HA H 27 4.557 4.664 -0.107 1
1 168 . 17 1 1 A 27 27 PHE H H 27 8.287 8.685 -0.398 1
1 170 . 17 1 1 A 27 27 PHE N N 27 120.748 121.301 -0.553 1
1 173 . 17 1 1 A 28 28 ASP H H 28 8.352 8.317 0.035 1
1 174 . 17 1 1 A 28 28 ASP N N 28 124.041 123.366 0.675 1
1 175 . 17 1 1 A 30 30 ASP HA H 30 4.649 4.836 -0.187 1
1 178 . 17 1 1 A 30 30 ASP H H 30 8.267 8.874 -0.607 1
1 179 . 17 1 1 A 30 30 ASP N N 30 118.244 124.711 -6.467 1
1 180 . 17 1 1 A 31 31 SER HA H 31 4.374 4.773 -0.399 1
1 182 . 17 1 1 A 31 31 SER H H 31 7.828 8.350 -0.522 1
1 183 . 17 1 1 A 31 31 SER N N 31 115.431 119.739 -4.308 1
1 1 . 18 1 1 A 2 2 VAL HA H 2 4.179 4.513 -0.334 1
1 6 . 18 1 1 A 2 2 VAL H H 2 8.595 8.480 0.115 1
1 7 . 18 1 1 A 2 2 VAL N N 2 120.754 118.239 2.515 1
1 8 . 18 1 1 A 3 3 GLN HA H 3 4.362 4.395 -0.033 1
1 13 . 18 1 1 A 3 3 GLN H H 3 8.580 7.709 0.871 1
1 14 . 18 1 1 A 3 3 GLN N N 3 125.486 121.512 3.974 1
1 16 . 18 1 1 A 4 4 ILE HA H 4 4.139 4.513 -0.374 1
1 26 . 18 1 1 A 4 4 ILE H H 4 8.387 8.415 -0.028 1
1 27 . 18 1 1 A 4 4 ILE N N 4 124.242 120.423 3.819 1
1 28 . 18 1 1 A 5 5 LEU HA H 5 4.412 4.528 -0.116 1
1 37 . 18 1 1 A 5 5 LEU H H 5 8.417 7.640 0.777 1
1 38 . 18 1 1 A 5 5 LEU N N 5 127.219 124.303 2.916 1
1 39 . 18 1 1 A 6 6 ARG HA H 6 4.461 4.337 0.124 1
1 45 . 18 1 1 A 6 6 ARG H H 6 8.167 7.736 0.431 1
1 46 . 18 1 1 A 6 6 ARG N N 6 120.754 121.017 -0.263 1
1 48 . 18 1 1 A 7 7 CYS HA H 7 5.037 5.215 -0.178 1
1 51 . 18 1 1 A 7 7 CYS H H 7 8.757 8.502 0.255 1
1 52 . 18 1 1 A 7 7 CYS N N 7 120.534 118.102 2.432 1
1 53 . 18 1 1 A 9 9 ASP HA H 9 4.381 4.396 -0.015 1
1 55 . 18 1 1 A 9 9 ASP H H 9 8.409 8.454 -0.045 1
1 56 . 18 1 1 A 9 9 ASP N N 9 119.426 120.421 -0.995 1
1 57 . 18 1 1 A 10 10 GLY HA2 H 10 4.217 4.037 0.180 1
1 58 . 18 1 1 A 10 10 GLY HA3 H 10 3.708 4.040 -0.332 1
1 59 . 18 1 1 A 10 10 GLY H H 10 8.819 8.313 0.506 1
1 60 . 18 1 1 A 10 10 GLY N N 10 111.112 111.653 -0.541 1
1 61 . 18 1 1 A 11 11 MET HA H 11 4.984 5.258 -0.274 1
1 69 . 18 1 1 A 11 11 MET H H 11 7.990 7.893 0.097 1
1 70 . 18 1 1 A 11 11 MET N N 11 118.125 119.495 -1.370 1
1 71 . 18 1 1 A 12 12 GLN HA H 12 4.616 4.738 -0.122 1
1 76 . 18 1 1 A 12 12 GLN H H 12 9.125 9.022 0.103 1
1 77 . 18 1 1 A 12 12 GLN N N 12 119.055 122.505 -3.450 1
1 79 . 18 1 1 A 13 13 MET HA H 13 4.798 5.415 -0.617 1
1 86 . 18 1 1 A 13 13 MET H H 13 8.704 8.656 0.048 1
1 87 . 18 1 1 A 13 13 MET N N 13 123.762 121.218 2.544 1
1 88 . 18 1 1 A 14 14 LEU HA H 14 4.627 4.545 0.082 1
1 94 . 18 1 1 A 14 14 LEU H H 14 8.823 8.966 -0.143 1
1 95 . 18 1 1 A 14 14 LEU N N 14 127.679 125.307 2.372 1
1 96 . 18 1 1 A 15 15 ARG HA H 15 4.067 4.072 -0.005 1
1 101 . 18 1 1 A 15 15 ARG H H 15 8.958 8.907 0.051 1
1 102 . 18 1 1 A 15 15 ARG N N 15 122.063 122.115 -0.052 1
1 104 . 18 1 1 A 16 16 SER HA H 16 4.270 4.551 -0.281 1
1 107 . 18 1 1 A 16 16 SER H H 16 7.751 7.857 -0.106 1
1 108 . 18 1 1 A 16 16 SER N N 16 110.846 110.938 -0.092 1
1 109 . 18 1 1 A 17 17 GLY HA2 H 17 4.368 4.020 0.348 1
1 110 . 18 1 1 A 17 17 GLY HA3 H 17 3.797 4.020 -0.223 1
1 111 . 18 1 1 A 17 17 GLY H H 17 8.272 7.834 0.438 1
1 112 . 18 1 1 A 17 17 GLY N N 17 110.828 109.777 1.051 1
1 113 . 18 1 1 A 18 18 GLN HA H 18 4.341 4.286 0.055 1
1 119 . 18 1 1 A 18 18 GLN H H 18 7.357 7.956 -0.599 1
1 120 . 18 1 1 A 18 18 GLN N N 18 118.617 119.680 -1.063 1
1 122 . 18 1 1 A 19 19 CYS HA H 19 5.386 5.568 -0.182 1
1 125 . 18 1 1 A 19 19 CYS H H 19 8.669 8.589 0.080 1
1 126 . 18 1 1 A 19 19 CYS N N 19 121.417 118.404 3.013 1
1 127 . 18 1 1 A 20 20 VAL HA H 20 4.663 4.758 -0.095 1
1 135 . 18 1 1 A 20 20 VAL H H 20 9.182 9.383 -0.201 1
1 136 . 18 1 1 A 20 20 VAL N N 20 119.068 126.492 -7.424 1
1 137 . 18 1 1 A 21 21 ALA HA H 21 4.593 5.080 -0.487 1
1 141 . 18 1 1 A 21 21 ALA H H 21 8.789 8.664 0.125 1
1 142 . 18 1 1 A 21 21 ALA N N 21 126.246 128.130 -1.884 1
1 143 . 18 1 1 A 22 22 THR HA H 22 4.390 4.322 0.068 1
1 148 . 18 1 1 A 22 22 THR H H 22 8.262 9.092 -0.830 1
1 149 . 18 1 1 A 22 22 THR N N 22 115.107 117.386 -2.279 1
1 150 . 18 1 1 A 23 23 THR HA H 23 4.366 4.697 -0.331 1
1 155 . 18 1 1 A 23 23 THR H H 23 8.109 8.310 -0.201 1
1 156 . 18 1 1 A 23 23 THR N N 23 115.710 116.068 -0.358 1
1 157 . 18 1 1 A 24 24 GLU HA H 24 4.662 4.182 0.480 1
1 161 . 18 1 1 A 24 24 GLU H H 24 8.279 7.875 0.404 1
1 162 . 18 1 1 A 24 24 GLU N N 24 124.041 122.376 1.665 1
1 163 . 18 1 1 A 27 27 PHE HA H 27 4.557 4.558 -0.001 1
1 168 . 18 1 1 A 27 27 PHE H H 27 8.287 8.143 0.144 1
1 170 . 18 1 1 A 27 27 PHE N N 27 120.748 120.948 -0.200 1
1 173 . 18 1 1 A 28 28 ASP H H 28 8.352 8.473 -0.121 1
1 174 . 18 1 1 A 28 28 ASP N N 28 124.041 123.850 0.191 1
1 175 . 18 1 1 A 30 30 ASP HA H 30 4.649 4.521 0.128 1
1 178 . 18 1 1 A 30 30 ASP H H 30 8.267 8.381 -0.114 1
1 179 . 18 1 1 A 30 30 ASP N N 30 118.244 124.788 -6.544 1
1 180 . 18 1 1 A 31 31 SER HA H 31 4.374 4.737 -0.363 1
1 182 . 18 1 1 A 31 31 SER H H 31 7.828 7.710 0.118 1
1 183 . 18 1 1 A 31 31 SER N N 31 115.431 113.635 1.796 1
1 1 . 19 1 1 A 2 2 VAL HA H 2 4.179 4.322 -0.143 1
1 6 . 19 1 1 A 2 2 VAL H H 2 8.595 8.242 0.353 1
1 7 . 19 1 1 A 2 2 VAL N N 2 120.754 122.785 -2.031 1
1 8 . 19 1 1 A 3 3 GLN HA H 3 4.362 4.535 -0.173 1
1 13 . 19 1 1 A 3 3 GLN H H 3 8.580 8.753 -0.173 1
1 14 . 19 1 1 A 3 3 GLN N N 3 125.486 128.804 -3.318 1
1 16 . 19 1 1 A 4 4 ILE HA H 4 4.139 4.450 -0.311 1
1 26 . 19 1 1 A 4 4 ILE H H 4 8.387 8.396 -0.009 1
1 27 . 19 1 1 A 4 4 ILE N N 4 124.242 120.911 3.331 1
1 28 . 19 1 1 A 5 5 LEU HA H 5 4.412 4.611 -0.199 1
1 37 . 19 1 1 A 5 5 LEU H H 5 8.417 7.821 0.596 1
1 38 . 19 1 1 A 5 5 LEU N N 5 127.219 120.085 7.134 1
1 39 . 19 1 1 A 6 6 ARG HA H 6 4.461 4.338 0.123 1
1 45 . 19 1 1 A 6 6 ARG H H 6 8.167 7.697 0.470 1
1 46 . 19 1 1 A 6 6 ARG N N 6 120.754 120.756 -0.002 1
1 48 . 19 1 1 A 7 7 CYS HA H 7 5.037 5.257 -0.220 1
1 51 . 19 1 1 A 7 7 CYS H H 7 8.757 8.597 0.160 1
1 52 . 19 1 1 A 7 7 CYS N N 7 120.534 118.446 2.088 1
1 53 . 19 1 1 A 9 9 ASP HA H 9 4.381 4.606 -0.225 1
1 55 . 19 1 1 A 9 9 ASP H H 9 8.409 8.605 -0.196 1
1 56 . 19 1 1 A 9 9 ASP N N 9 119.426 120.696 -1.270 1
1 57 . 19 1 1 A 10 10 GLY HA2 H 10 4.217 4.049 0.168 1
1 58 . 19 1 1 A 10 10 GLY HA3 H 10 3.708 4.049 -0.341 1
1 59 . 19 1 1 A 10 10 GLY H H 10 8.819 8.376 0.443 1
1 60 . 19 1 1 A 10 10 GLY N N 10 111.112 110.637 0.475 1
1 61 . 19 1 1 A 11 11 MET HA H 11 4.984 4.851 0.133 1
1 69 . 19 1 1 A 11 11 MET H H 11 7.990 7.763 0.227 1
1 70 . 19 1 1 A 11 11 MET N N 11 118.125 120.240 -2.115 1
1 71 . 19 1 1 A 12 12 GLN HA H 12 4.616 4.879 -0.263 1
1 76 . 19 1 1 A 12 12 GLN H H 12 9.125 8.666 0.459 1
1 77 . 19 1 1 A 12 12 GLN N N 12 119.055 123.038 -3.983 1
1 79 . 19 1 1 A 13 13 MET HA H 13 4.798 4.905 -0.107 1
1 86 . 19 1 1 A 13 13 MET H H 13 8.704 8.741 -0.037 1
1 87 . 19 1 1 A 13 13 MET N N 13 123.762 121.977 1.785 1
1 88 . 19 1 1 A 14 14 LEU HA H 14 4.627 4.754 -0.127 1
1 94 . 19 1 1 A 14 14 LEU H H 14 8.823 8.340 0.483 1
1 95 . 19 1 1 A 14 14 LEU N N 14 127.679 119.313 8.366 1
1 96 . 19 1 1 A 15 15 ARG HA H 15 4.067 3.909 0.158 1
1 101 . 19 1 1 A 15 15 ARG H H 15 8.958 8.779 0.179 1
1 102 . 19 1 1 A 15 15 ARG N N 15 122.063 119.330 2.733 1
1 104 . 19 1 1 A 16 16 SER HA H 16 4.270 4.367 -0.097 1
1 107 . 19 1 1 A 16 16 SER H H 16 7.751 7.830 -0.079 1
1 108 . 19 1 1 A 16 16 SER N N 16 110.846 112.464 -1.618 1
1 109 . 19 1 1 A 17 17 GLY HA2 H 17 4.368 4.015 0.353 1
1 110 . 19 1 1 A 17 17 GLY HA3 H 17 3.797 4.015 -0.218 1
1 111 . 19 1 1 A 17 17 GLY H H 17 8.272 7.640 0.632 1
1 112 . 19 1 1 A 17 17 GLY N N 17 110.828 108.585 2.243 1
1 113 . 19 1 1 A 18 18 GLN HA H 18 4.341 4.251 0.090 1
1 119 . 19 1 1 A 18 18 GLN H H 18 7.357 7.963 -0.606 1
1 120 . 19 1 1 A 18 18 GLN N N 18 118.617 120.113 -1.496 1
1 122 . 19 1 1 A 19 19 CYS HA H 19 5.386 5.382 0.004 1
1 125 . 19 1 1 A 19 19 CYS H H 19 8.669 8.715 -0.046 1
1 126 . 19 1 1 A 19 19 CYS N N 19 121.417 118.189 3.228 1
1 127 . 19 1 1 A 20 20 VAL HA H 20 4.663 4.707 -0.044 1
1 135 . 19 1 1 A 20 20 VAL H H 20 9.182 8.905 0.277 1
1 136 . 19 1 1 A 20 20 VAL N N 20 119.068 124.732 -5.664 1
1 137 . 19 1 1 A 21 21 ALA HA H 21 4.593 4.363 0.230 1
1 141 . 19 1 1 A 21 21 ALA H H 21 8.789 8.570 0.219 1
1 142 . 19 1 1 A 21 21 ALA N N 21 126.246 128.245 -1.999 1
1 143 . 19 1 1 A 22 22 THR HA H 22 4.390 4.445 -0.055 1
1 148 . 19 1 1 A 22 22 THR H H 22 8.262 8.493 -0.231 1
1 149 . 19 1 1 A 22 22 THR N N 22 115.107 117.339 -2.232 1
1 150 . 19 1 1 A 23 23 THR HA H 23 4.366 4.676 -0.310 1
1 155 . 19 1 1 A 23 23 THR H H 23 8.109 8.926 -0.817 1
1 156 . 19 1 1 A 23 23 THR N N 23 115.710 124.693 -8.983 1
1 157 . 19 1 1 A 24 24 GLU HA H 24 4.662 4.550 0.112 1
1 161 . 19 1 1 A 24 24 GLU H H 24 8.279 7.474 0.805 1
1 162 . 19 1 1 A 24 24 GLU N N 24 124.041 122.322 1.719 1
1 163 . 19 1 1 A 27 27 PHE HA H 27 4.557 4.725 -0.168 1
1 168 . 19 1 1 A 27 27 PHE H H 27 8.287 8.623 -0.336 1
1 170 . 19 1 1 A 27 27 PHE N N 27 120.748 120.716 0.032 1
1 173 . 19 1 1 A 28 28 ASP H H 28 8.352 8.011 0.341 1
1 174 . 19 1 1 A 28 28 ASP N N 28 124.041 120.329 3.712 1
1 175 . 19 1 1 A 30 30 ASP HA H 30 4.649 4.737 -0.088 1
1 178 . 19 1 1 A 30 30 ASP H H 30 8.267 8.798 -0.531 1
1 179 . 19 1 1 A 30 30 ASP N N 30 118.244 120.682 -2.438 1
1 180 . 19 1 1 A 31 31 SER HA H 31 4.374 4.560 -0.186 1
1 182 . 19 1 1 A 31 31 SER H H 31 7.828 8.004 -0.176 1
1 183 . 19 1 1 A 31 31 SER N N 31 115.431 109.456 5.975 1
1 1 . 20 1 1 A 2 2 VAL HA H 2 4.179 4.081 0.098 1
1 6 . 20 1 1 A 2 2 VAL H H 2 8.595 7.897 0.698 1
1 7 . 20 1 1 A 2 2 VAL N N 2 120.754 121.039 -0.285 1
1 8 . 20 1 1 A 3 3 GLN HA H 3 4.362 4.395 -0.033 1
1 13 . 20 1 1 A 3 3 GLN H H 3 8.580 8.356 0.224 1
1 14 . 20 1 1 A 3 3 GLN N N 3 125.486 124.385 1.101 1
1 16 . 20 1 1 A 4 4 ILE HA H 4 4.139 4.438 -0.299 1
1 26 . 20 1 1 A 4 4 ILE H H 4 8.387 8.699 -0.312 1
1 27 . 20 1 1 A 4 4 ILE N N 4 124.242 122.979 1.263 1
1 28 . 20 1 1 A 5 5 LEU HA H 5 4.412 4.537 -0.125 1
1 37 . 20 1 1 A 5 5 LEU H H 5 8.417 7.725 0.692 1
1 38 . 20 1 1 A 5 5 LEU N N 5 127.219 125.709 1.510 1
1 39 . 20 1 1 A 6 6 ARG HA H 6 4.461 4.286 0.175 1
1 45 . 20 1 1 A 6 6 ARG H H 6 8.167 7.501 0.666 1
1 46 . 20 1 1 A 6 6 ARG N N 6 120.754 117.785 2.969 1
1 48 . 20 1 1 A 7 7 CYS HA H 7 5.037 4.950 0.087 1
1 51 . 20 1 1 A 7 7 CYS H H 7 8.757 8.542 0.215 1
1 52 . 20 1 1 A 7 7 CYS N N 7 120.534 119.998 0.536 1
1 53 . 20 1 1 A 9 9 ASP HA H 9 4.381 4.410 -0.029 1
1 55 . 20 1 1 A 9 9 ASP H H 9 8.409 8.509 -0.100 1
1 56 . 20 1 1 A 9 9 ASP N N 9 119.426 121.097 -1.671 1
1 57 . 20 1 1 A 10 10 GLY HA2 H 10 4.217 3.983 0.234 1
1 58 . 20 1 1 A 10 10 GLY HA3 H 10 3.708 3.984 -0.276 1
1 59 . 20 1 1 A 10 10 GLY H H 10 8.819 8.813 0.006 1
1 60 . 20 1 1 A 10 10 GLY N N 10 111.112 111.767 -0.655 1
1 61 . 20 1 1 A 11 11 MET HA H 11 4.984 4.686 0.298 1
1 69 . 20 1 1 A 11 11 MET H H 11 7.990 7.605 0.385 1
1 70 . 20 1 1 A 11 11 MET N N 11 118.125 120.238 -2.113 1
1 71 . 20 1 1 A 12 12 GLN HA H 12 4.616 4.746 -0.130 1
1 76 . 20 1 1 A 12 12 GLN H H 12 9.125 8.818 0.307 1
1 77 . 20 1 1 A 12 12 GLN N N 12 119.055 123.605 -4.550 1
1 79 . 20 1 1 A 13 13 MET HA H 13 4.798 4.950 -0.152 1
1 86 . 20 1 1 A 13 13 MET H H 13 8.704 9.098 -0.394 1
1 87 . 20 1 1 A 13 13 MET N N 13 123.762 124.862 -1.100 1
1 88 . 20 1 1 A 14 14 LEU HA H 14 4.627 4.920 -0.293 1
1 94 . 20 1 1 A 14 14 LEU H H 14 8.823 8.683 0.140 1
1 95 . 20 1 1 A 14 14 LEU N N 14 127.679 121.302 6.377 1
1 96 . 20 1 1 A 15 15 ARG HA H 15 4.067 3.983 0.084 1
1 101 . 20 1 1 A 15 15 ARG H H 15 8.958 8.933 0.025 1
1 102 . 20 1 1 A 15 15 ARG N N 15 122.063 121.041 1.022 1
1 104 . 20 1 1 A 16 16 SER HA H 16 4.270 4.361 -0.091 1
1 107 . 20 1 1 A 16 16 SER H H 16 7.751 7.779 -0.028 1
1 108 . 20 1 1 A 16 16 SER N N 16 110.846 113.073 -2.227 1
1 109 . 20 1 1 A 17 17 GLY HA2 H 17 4.368 4.044 0.324 1
1 110 . 20 1 1 A 17 17 GLY HA3 H 17 3.797 4.044 -0.247 1
1 111 . 20 1 1 A 17 17 GLY H H 17 8.272 7.839 0.433 1
1 112 . 20 1 1 A 17 17 GLY N N 17 110.828 108.370 2.458 1
1 113 . 20 1 1 A 18 18 GLN HA H 18 4.341 4.199 0.142 1
1 119 . 20 1 1 A 18 18 GLN H H 18 7.357 7.958 -0.601 1
1 120 . 20 1 1 A 18 18 GLN N N 18 118.617 120.142 -1.525 1
1 122 . 20 1 1 A 19 19 CYS HA H 19 5.386 5.246 0.140 1
1 125 . 20 1 1 A 19 19 CYS H H 19 8.669 8.434 0.235 1
1 126 . 20 1 1 A 19 19 CYS N N 19 121.417 120.792 0.625 1
1 127 . 20 1 1 A 20 20 VAL HA H 20 4.663 4.186 0.477 1
1 135 . 20 1 1 A 20 20 VAL H H 20 9.182 9.053 0.129 1
1 136 . 20 1 1 A 20 20 VAL N N 20 119.068 127.646 -8.578 1
1 137 . 20 1 1 A 21 21 ALA HA H 21 4.593 4.233 0.360 1
1 141 . 20 1 1 A 21 21 ALA H H 21 8.789 7.552 1.237 1
1 142 . 20 1 1 A 21 21 ALA N N 21 126.246 126.477 -0.231 1
1 143 . 20 1 1 A 22 22 THR HA H 22 4.390 4.511 -0.121 1
1 148 . 20 1 1 A 22 22 THR H H 22 8.262 8.897 -0.635 1
1 149 . 20 1 1 A 22 22 THR N N 22 115.107 118.656 -3.549 1
1 150 . 20 1 1 A 23 23 THR HA H 23 4.366 4.671 -0.305 1
1 155 . 20 1 1 A 23 23 THR H H 23 8.109 7.680 0.429 1
1 156 . 20 1 1 A 23 23 THR N N 23 115.710 116.455 -0.745 1
1 157 . 20 1 1 A 24 24 GLU HA H 24 4.662 4.184 0.478 1
1 161 . 20 1 1 A 24 24 GLU H H 24 8.279 8.144 0.135 1
1 162 . 20 1 1 A 24 24 GLU N N 24 124.041 124.715 -0.674 1
1 163 . 20 1 1 A 27 27 PHE HA H 27 4.557 4.698 -0.141 1
1 168 . 20 1 1 A 27 27 PHE H H 27 8.287 8.609 -0.322 1
1 170 . 20 1 1 A 27 27 PHE N N 27 120.748 124.020 -3.272 1
1 173 . 20 1 1 A 28 28 ASP H H 28 8.352 8.875 -0.523 1
1 174 . 20 1 1 A 28 28 ASP N N 28 124.041 126.011 -1.970 1
1 175 . 20 1 1 A 30 30 ASP HA H 30 4.649 5.012 -0.363 1
1 178 . 20 1 1 A 30 30 ASP H H 30 8.267 8.780 -0.513 1
1 179 . 20 1 1 A 30 30 ASP N N 30 118.244 124.268 -6.024 1
1 180 . 20 1 1 A 31 31 SER HA H 31 4.374 4.837 -0.463 1
1 182 . 20 1 1 A 31 31 SER H H 31 7.828 8.016 -0.188 1
1 183 . 20 1 1 A 31 31 SER N N 31 115.431 117.553 -2.122 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 0 0.000 1
3 1 1 1 "RMS(OBS, PRED)" CB 0 0.000 1
4 1 1 1 "RMS(OBS, PRED)" H 26 0.430 1
5 1 1 1 "RMS(OBS, PRED)" HA 27 0.258 1
6 1 1 1 "RMS(OBS, PRED)" N 26 3.601 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1
9 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 2 1 "RMS(OBS, PRED)" H 26 0.407 1
11 1 2 1 "RMS(OBS, PRED)" HA 27 0.266 1
12 1 2 1 "RMS(OBS, PRED)" N 26 3.636 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1
15 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
16 1 3 1 "RMS(OBS, PRED)" H 26 0.420 1
17 1 3 1 "RMS(OBS, PRED)" HA 27 0.228 1
18 1 3 1 "RMS(OBS, PRED)" N 26 2.533 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1
21 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 4 1 "RMS(OBS, PRED)" H 26 0.300 1
23 1 4 1 "RMS(OBS, PRED)" HA 27 0.242 1
24 1 4 1 "RMS(OBS, PRED)" N 26 3.107 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1
27 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
28 1 5 1 "RMS(OBS, PRED)" H 26 0.374 1
29 1 5 1 "RMS(OBS, PRED)" HA 27 0.345 1
30 1 5 1 "RMS(OBS, PRED)" N 26 3.842 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1
33 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 6 1 "RMS(OBS, PRED)" H 26 0.411 1
35 1 6 1 "RMS(OBS, PRED)" HA 27 0.258 1
36 1 6 1 "RMS(OBS, PRED)" N 26 3.855 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1
39 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
40 1 7 1 "RMS(OBS, PRED)" H 26 0.378 1
41 1 7 1 "RMS(OBS, PRED)" HA 27 0.268 1
42 1 7 1 "RMS(OBS, PRED)" N 26 3.361 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1
45 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 8 1 "RMS(OBS, PRED)" H 26 0.438 1
47 1 8 1 "RMS(OBS, PRED)" HA 27 0.232 1
48 1 8 1 "RMS(OBS, PRED)" N 26 3.139 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 9 1 "RMS(OBS, PRED)" H 26 0.377 1
53 1 9 1 "RMS(OBS, PRED)" HA 27 0.249 1
54 1 9 1 "RMS(OBS, PRED)" N 26 3.740 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1
57 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1
58 1 10 1 "RMS(OBS, PRED)" H 26 0.325 1
59 1 10 1 "RMS(OBS, PRED)" HA 27 0.209 1
60 1 10 1 "RMS(OBS, PRED)" N 26 2.918 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1
63 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1
64 1 11 1 "RMS(OBS, PRED)" H 26 0.488 1
65 1 11 1 "RMS(OBS, PRED)" HA 27 0.259 1
66 1 11 1 "RMS(OBS, PRED)" N 26 3.790 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1
69 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1
70 1 12 1 "RMS(OBS, PRED)" H 26 0.496 1
71 1 12 1 "RMS(OBS, PRED)" HA 27 0.234 1
72 1 12 1 "RMS(OBS, PRED)" N 26 3.877 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1
75 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 1 13 1 "RMS(OBS, PRED)" H 26 0.347 1
77 1 13 1 "RMS(OBS, PRED)" HA 27 0.278 1
78 1 13 1 "RMS(OBS, PRED)" N 26 3.356 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1
81 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1
82 1 14 1 "RMS(OBS, PRED)" H 26 0.375 1
83 1 14 1 "RMS(OBS, PRED)" HA 27 0.222 1
84 1 14 1 "RMS(OBS, PRED)" N 26 3.126 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1
87 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1
88 1 15 1 "RMS(OBS, PRED)" H 26 0.365 1
89 1 15 1 "RMS(OBS, PRED)" HA 27 0.220 1
90 1 15 1 "RMS(OBS, PRED)" N 26 3.141 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1
93 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 16 1 "RMS(OBS, PRED)" H 26 0.505 1
95 1 16 1 "RMS(OBS, PRED)" HA 27 0.297 1
96 1 16 1 "RMS(OBS, PRED)" N 26 3.548 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1
99 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1
100 1 17 1 "RMS(OBS, PRED)" H 26 0.402 1
101 1 17 1 "RMS(OBS, PRED)" HA 27 0.209 1
102 1 17 1 "RMS(OBS, PRED)" N 26 3.684 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1
105 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 18 1 "RMS(OBS, PRED)" H 26 0.375 1
107 1 18 1 "RMS(OBS, PRED)" HA 27 0.274 1
108 1 18 1 "RMS(OBS, PRED)" N 26 2.846 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1
111 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1
112 1 19 1 "RMS(OBS, PRED)" H 26 0.416 1
113 1 19 1 "RMS(OBS, PRED)" HA 27 0.197 1
114 1 19 1 "RMS(OBS, PRED)" N 26 3.923 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1
117 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 20 1 "RMS(OBS, PRED)" H 26 0.468 1
119 1 20 1 "RMS(OBS, PRED)" HA 27 0.262 1
120 1 20 1 "RMS(OBS, PRED)" N 26 3.111 1
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.Conformer_type "average"
_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.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 VAL HA H 2 4.179 4.213 -0.034 2
1 6 . 1 1 A 2 2 VAL H H 2 8.595 8.323 0.272 2
1 7 . 1 1 A 2 2 VAL N N 2 120.754 123.171 -2.417 2
1 8 . 1 1 A 3 3 GLN HA H 3 4.362 4.541 -0.179 2
1 13 . 1 1 A 3 3 GLN H H 3 8.580 8.381 0.199 2
1 14 . 1 1 A 3 3 GLN N N 3 125.486 124.483 1.003 2
1 16 . 1 1 A 4 4 ILE HA H 4 4.139 4.351 -0.212 2
1 26 . 1 1 A 4 4 ILE H H 4 8.387 8.638 -0.251 2
1 27 . 1 1 A 4 4 ILE N N 4 124.242 123.046 1.196 2
1 28 . 1 1 A 5 5 LEU HA H 5 4.412 4.374 0.038 2
1 37 . 1 1 A 5 5 LEU H H 5 8.417 7.772 0.645 2
1 38 . 1 1 A 5 5 LEU N N 5 127.219 122.650 4.569 2
1 39 . 1 1 A 6 6 ARG HA H 6 4.461 4.264 0.197 2
1 45 . 1 1 A 6 6 ARG H H 6 8.167 8.096 0.071 2
1 46 . 1 1 A 6 6 ARG N N 6 120.754 120.751 0.003 2
1 48 . 1 1 A 7 7 CYS HA H 7 5.037 5.089 -0.052 2
1 51 . 1 1 A 7 7 CYS H H 7 8.757 8.483 0.274 2
1 52 . 1 1 A 7 7 CYS N N 7 120.534 121.791 -1.257 2
1 53 . 1 1 A 9 9 ASP HA H 9 4.381 4.315 0.066 2
1 55 . 1 1 A 9 9 ASP H H 9 8.409 8.530 -0.121 2
1 56 . 1 1 A 9 9 ASP N N 9 119.426 121.377 -1.951 2
1 57 . 1 1 A 10 10 GLY HA2 H 10 4.217 3.996 0.221 2
1 58 . 1 1 A 10 10 GLY HA3 H 10 3.708 3.997 -0.289 2
1 59 . 1 1 A 10 10 GLY H H 10 8.819 8.776 0.043 2
1 60 . 1 1 A 10 10 GLY N N 10 111.112 112.407 -1.295 2
1 61 . 1 1 A 11 11 MET HA H 11 4.984 4.947 0.037 2
1 69 . 1 1 A 11 11 MET H H 11 7.990 7.663 0.327 2
1 70 . 1 1 A 11 11 MET N N 11 118.125 119.243 -1.118 2
1 71 . 1 1 A 12 12 GLN HA H 12 4.616 4.858 -0.242 2
1 76 . 1 1 A 12 12 GLN H H 12 9.125 8.866 0.259 2
1 77 . 1 1 A 12 12 GLN N N 12 119.055 122.736 -3.681 2
1 79 . 1 1 A 13 13 MET HA H 13 4.798 4.880 -0.082 2
1 86 . 1 1 A 13 13 MET H H 13 8.704 8.817 -0.113 2
1 87 . 1 1 A 13 13 MET N N 13 123.762 122.949 0.813 2
1 88 . 1 1 A 14 14 LEU HA H 14 4.627 4.743 -0.116 2
1 94 . 1 1 A 14 14 LEU H H 14 8.823 8.745 0.078 2
1 95 . 1 1 A 14 14 LEU N N 14 127.679 122.804 4.875 2
1 96 . 1 1 A 15 15 ARG HA H 15 4.067 3.998 0.069 2
1 101 . 1 1 A 15 15 ARG H H 15 8.958 8.824 0.134 2
1 102 . 1 1 A 15 15 ARG N N 15 122.063 121.866 0.197 2
1 104 . 1 1 A 16 16 SER HA H 16 4.270 4.391 -0.121 2
1 107 . 1 1 A 16 16 SER H H 16 7.751 7.766 -0.015 2
1 108 . 1 1 A 16 16 SER N N 16 110.846 113.140 -2.294 2
1 109 . 1 1 A 17 17 GLY HA2 H 17 4.368 4.035 0.333 2
1 110 . 1 1 A 17 17 GLY HA3 H 17 3.797 4.035 -0.238 2
1 111 . 1 1 A 17 17 GLY H H 17 8.272 7.714 0.558 2
1 112 . 1 1 A 17 17 GLY N N 17 110.828 108.616 2.212 2
1 113 . 1 1 A 18 18 GLN HA H 18 4.341 4.271 0.070 2
1 119 . 1 1 A 18 18 GLN H H 18 7.357 7.955 -0.598 2
1 120 . 1 1 A 18 18 GLN N N 18 118.617 119.861 -1.244 2
1 122 . 1 1 A 19 19 CYS HA H 19 5.386 5.420 -0.034 2
1 125 . 1 1 A 19 19 CYS H H 19 8.669 8.607 0.062 2
1 126 . 1 1 A 19 19 CYS N N 19 121.417 119.759 1.658 2
1 127 . 1 1 A 20 20 VAL HA H 20 4.663 4.643 0.020 2
1 135 . 1 1 A 20 20 VAL H H 20 9.182 8.916 0.266 2
1 136 . 1 1 A 20 20 VAL N N 20 119.068 127.002 -7.934 2
1 137 . 1 1 A 21 21 ALA HA H 21 4.593 4.693 -0.100 2
1 141 . 1 1 A 21 21 ALA H H 21 8.789 8.603 0.186 2
1 142 . 1 1 A 21 21 ALA N N 21 126.246 128.806 -2.560 2
1 143 . 1 1 A 22 22 THR HA H 22 4.390 4.449 -0.059 2
1 148 . 1 1 A 22 22 THR H H 22 8.262 8.753 -0.491 2
1 149 . 1 1 A 22 22 THR N N 22 115.107 117.519 -2.412 2
1 150 . 1 1 A 23 23 THR HA H 23 4.366 4.644 -0.278 2
1 155 . 1 1 A 23 23 THR H H 23 8.109 8.178 -0.069 2
1 156 . 1 1 A 23 23 THR N N 23 115.710 119.314 -3.604 2
1 157 . 1 1 A 24 24 GLU HA H 24 4.662 4.354 0.308 2
1 161 . 1 1 A 24 24 GLU H H 24 8.279 7.995 0.284 2
1 162 . 1 1 A 24 24 GLU N N 24 124.041 123.878 0.163 2
1 163 . 1 1 A 27 27 PHE HA H 27 4.557 4.677 -0.120 2
1 168 . 1 1 A 27 27 PHE H H 27 8.287 8.572 -0.285 2
1 170 . 1 1 A 27 27 PHE N N 27 120.748 120.917 -0.169 2
1 173 . 1 1 A 28 28 ASP H H 28 8.352 8.499 -0.147 2
1 174 . 1 1 A 28 28 ASP N N 28 124.041 122.730 1.311 2
1 175 . 1 1 A 30 30 ASP HA H 30 4.649 4.686 -0.037 2
1 178 . 1 1 A 30 30 ASP H H 30 8.267 8.438 -0.171 2
1 179 . 1 1 A 30 30 ASP N N 30 118.244 120.024 -1.780 2
1 180 . 1 1 A 31 31 SER HA H 31 4.374 4.532 -0.158 2
1 182 . 1 1 A 31 31 SER H H 31 7.828 7.972 -0.144 2
1 183 . 1 1 A 31 31 SER N N 31 115.431 113.077 2.354 2
stop_
save_