data_15474_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15474
_Entry.PDB_ID 1YOB
_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 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 4 . 1 1 1 A 2 2 LYS H H 2 8.595 nan 8.595 1
1 5 . 1 1 1 A 2 2 LYS C C 2 176.796 176.133 0.663 1
1 6 . 1 1 1 A 2 2 LYS CA C 2 56.551 57.528 -0.977 1
1 7 . 1 1 1 A 2 2 LYS N N 2 122.309 118.643 3.666 1
1 8 . 1 1 1 A 3 3 ILE H H 3 8.176 nan 8.176 1
1 8 . 1 1 1 A 3 3 ILE H H 3 8.176 7.959 0.217 1
1 9 . 1 1 1 A 3 3 ILE C C 3 176.989 175.374 1.615 1
1 10 . 1 1 1 A 3 3 ILE CA C 3 61.399 59.426 1.973 1
1 11 . 1 1 1 A 3 3 ILE CB C 3 39.143 38.774 0.369 1
1 12 . 1 1 1 A 3 3 ILE N N 3 122.499 119.949 2.550 1
1 13 . 1 1 1 A 4 4 GLY H H 4 8.393 nan 8.393 1
1 13 . 1 1 1 A 4 4 GLY H H 4 8.393 9.109 -0.716 1
1 14 . 1 1 1 A 4 4 GLY C C 4 174.158 171.532 2.626 1
1 15 . 1 1 1 A 4 4 GLY CA C 4 45.487 44.381 1.106 1
1 16 . 1 1 1 A 4 4 GLY N N 4 113.499 115.347 -1.848 1
1 17 . 1 1 1 A 5 5 LEU H H 5 7.985 nan 7.985 1
1 17 . 1 1 1 A 5 5 LEU H H 5 7.985 8.892 -0.907 1
1 18 . 1 1 1 A 5 5 LEU C C 5 177.279 174.305 2.974 1
1 19 . 1 1 1 A 5 5 LEU CA C 5 55.328 53.069 2.259 1
1 20 . 1 1 1 A 5 5 LEU CB C 5 42.801 44.120 -1.319 1
1 21 . 1 1 1 A 5 5 LEU N N 5 122.526 125.710 -3.184 1
1 22 . 1 1 1 A 6 6 PHE H H 6 8.168 nan 8.168 1
1 22 . 1 1 1 A 6 6 PHE H H 6 8.168 8.951 -0.783 1
1 23 . 1 1 1 A 6 6 PHE C C 6 175.997 174.809 1.188 1
1 24 . 1 1 1 A 6 6 PHE CA C 6 57.617 56.373 1.244 1
1 25 . 1 1 1 A 6 6 PHE CB C 6 40.040 43.749 -3.709 1
1 26 . 1 1 1 A 6 6 PHE N N 6 120.913 125.952 -5.039 1
1 27 . 1 1 1 A 7 7 PHE H H 7 8.246 nan 8.246 1
1 27 . 1 1 1 A 7 7 PHE H H 7 8.246 9.186 -0.940 1
1 28 . 1 1 1 A 7 7 PHE C C 7 176.635 173.116 3.519 1
1 29 . 1 1 1 A 7 7 PHE CA C 7 57.955 55.830 2.125 1
1 30 . 1 1 1 A 7 7 PHE CB C 7 40.042 42.106 -2.064 1
1 31 . 1 1 1 A 7 7 PHE N N 7 122.468 117.850 4.618 1
1 32 . 1 1 1 A 8 8 GLY H H 8 8.062 nan 8.062 1
1 32 . 1 1 1 A 8 8 GLY H H 8 8.062 8.377 -0.315 1
1 33 . 1 1 1 A 8 8 GLY C C 8 174.537 172.485 2.052 1
1 34 . 1 1 1 A 8 8 GLY CA C 8 45.627 44.461 1.166 1
1 35 . 1 1 1 A 8 8 GLY N N 8 110.508 106.885 3.623 1
1 36 . 1 1 1 A 9 9 SER H H 9 8.241 nan 8.241 1
1 36 . 1 1 1 A 9 9 SER H H 9 8.241 8.788 -0.547 1
1 37 . 1 1 1 A 9 9 SER C C 9 175.080 173.769 1.311 1
1 38 . 1 1 1 A 9 9 SER CA C 9 58.529 57.167 1.362 1
1 39 . 1 1 1 A 9 9 SER CB C 9 64.246 64.786 -0.540 1
1 40 . 1 1 1 A 9 9 SER N N 9 116.209 117.012 -0.803 1
1 41 . 1 1 1 A 10 10 ASN H H 10 8.625 nan 8.625 1
1 41 . 1 1 1 A 10 10 ASN H H 10 8.625 8.835 -0.210 1
1 42 . 1 1 1 A 10 10 ASN C C 10 176.000 176.188 -0.188 1
1 43 . 1 1 1 A 10 10 ASN CA C 10 53.492 54.189 -0.697 1
1 44 . 1 1 1 A 10 10 ASN CB C 10 39.110 40.728 -1.618 1
1 45 . 1 1 1 A 10 10 ASN N N 10 121.604 123.060 -1.456 1
1 46 . 1 1 1 A 11 11 THR H H 11 8.067 nan 8.067 1
1 46 . 1 1 1 A 11 11 THR H H 11 8.067 7.951 0.116 1
1 47 . 1 1 1 A 11 11 THR C C 11 175.674 175.078 0.596 1
1 48 . 1 1 1 A 11 11 THR CA C 11 62.003 61.088 0.915 1
1 49 . 1 1 1 A 11 11 THR CB C 11 70.119 69.254 0.865 1
1 50 . 1 1 1 A 11 11 THR N N 11 113.342 108.712 4.630 1
1 51 . 1 1 1 A 12 12 GLY H H 12 8.399 nan 8.399 1
1 51 . 1 1 1 A 12 12 GLY H H 12 8.399 7.885 0.514 1
1 52 . 1 1 1 A 12 12 GLY C C 12 174.548 175.525 -0.977 1
1 53 . 1 1 1 A 12 12 GLY CA C 12 45.600 45.381 0.219 1
1 54 . 1 1 1 A 12 12 GLY N N 12 111.692 110.207 1.485 1
1 55 . 1 1 1 A 13 13 LYS H H 13 8.172 nan 8.172 1
1 55 . 1 1 1 A 13 13 LYS H H 13 8.172 8.310 -0.138 1
1 56 . 1 1 1 A 13 13 LYS C C 13 177.429 178.827 -1.398 1
1 57 . 1 1 1 A 13 13 LYS CA C 13 56.657 59.615 -2.958 1
1 58 . 1 1 1 A 13 13 LYS CB C 13 33.151 31.349 1.802 1
1 59 . 1 1 1 A 13 13 LYS N N 13 121.446 121.724 -0.278 1
1 60 . 1 1 1 A 14 14 THR H H 14 8.184 nan 8.184 1
1 60 . 1 1 1 A 14 14 THR H H 14 8.184 8.195 -0.011 1
1 61 . 1 1 1 A 14 14 THR C C 14 175.096 176.246 -1.150 1
1 62 . 1 1 1 A 14 14 THR CA C 14 61.917 67.163 -5.246 1
1 63 . 1 1 1 A 14 14 THR CB C 14 70.227 68.746 1.481 1
1 64 . 1 1 1 A 14 14 THR N N 14 115.847 116.478 -0.631 1
1 65 . 1 1 1 A 15 15 ARG H H 15 8.381 nan 8.381 1
1 65 . 1 1 1 A 15 15 ARG H H 15 8.381 8.038 0.343 1
1 66 . 1 1 1 A 15 15 ARG C C 15 176.651 178.214 -1.563 1
1 67 . 1 1 1 A 15 15 ARG CA C 15 56.219 59.330 -3.111 1
1 68 . 1 1 1 A 15 15 ARG CB C 15 31.217 29.404 1.813 1
1 69 . 1 1 1 A 15 15 ARG N N 15 124.389 119.768 4.621 1
1 70 . 1 1 1 A 16 16 LYS H H 16 8.385 nan 8.385 1
1 70 . 1 1 1 A 16 16 LYS H H 16 8.385 7.750 0.635 1
1 71 . 1 1 1 A 16 16 LYS C C 16 177.034 178.589 -1.555 1
1 72 . 1 1 1 A 16 16 LYS CA C 16 56.569 59.153 -2.584 1
1 73 . 1 1 1 A 16 16 LYS CB C 16 33.335 32.669 0.666 1
1 74 . 1 1 1 A 16 16 LYS N N 16 124.076 119.415 4.661 1
1 75 . 1 1 1 A 17 17 VAL H H 17 8.123 nan 8.123 1
1 75 . 1 1 1 A 17 17 VAL H H 17 8.123 8.056 0.067 1
1 76 . 1 1 1 A 17 17 VAL C C 17 176.332 177.947 -1.615 1
1 77 . 1 1 1 A 17 17 VAL CA C 17 62.053 66.127 -4.074 1
1 78 . 1 1 1 A 17 17 VAL CB C 17 33.182 31.553 1.629 1
1 79 . 1 1 1 A 17 17 VAL N N 17 121.887 119.222 2.665 1
1 80 . 1 1 1 A 18 18 ALA H H 18 8.346 nan 8.346 1
1 80 . 1 1 1 A 18 18 ALA H H 18 8.346 8.161 0.185 1
1 81 . 1 1 1 A 18 18 ALA C C 18 178.094 180.003 -1.909 1
1 82 . 1 1 1 A 18 18 ALA CA C 18 52.533 55.727 -3.194 1
1 83 . 1 1 1 A 18 18 ALA CB C 18 19.757 18.184 1.573 1
1 84 . 1 1 1 A 18 18 ALA N N 18 128.511 122.162 6.349 1
1 85 . 1 1 1 A 19 19 LYS H H 19 8.296 nan 8.296 1
1 85 . 1 1 1 A 19 19 LYS H H 19 8.296 8.236 0.060 1
1 86 . 1 1 1 A 19 19 LYS C C 19 177.153 178.909 -1.756 1
1 87 . 1 1 1 A 19 19 LYS CA C 19 56.645 59.077 -2.432 1
1 88 . 1 1 1 A 19 19 LYS CB C 19 33.420 31.989 1.431 1
1 89 . 1 1 1 A 19 19 LYS N N 19 121.808 117.134 4.674 1
1 90 . 1 1 1 A 20 20 SER H H 20 8.321 nan 8.321 1
1 90 . 1 1 1 A 20 20 SER H H 20 8.321 7.796 0.525 1
1 91 . 1 1 1 A 20 20 SER C C 20 175.019 177.277 -2.258 1
1 92 . 1 1 1 A 20 20 SER CA C 20 58.210 61.299 -3.089 1
1 93 . 1 1 1 A 20 20 SER CB C 20 64.050 62.668 1.382 1
1 94 . 1 1 1 A 20 20 SER N N 20 117.647 114.691 2.956 1
1 95 . 1 1 1 A 21 21 ILE H H 21 8.157 nan 8.157 1
1 95 . 1 1 1 A 21 21 ILE H H 21 8.157 7.897 0.260 1
1 96 . 1 1 1 A 21 21 ILE C C 21 176.637 177.991 -1.354 1
1 97 . 1 1 1 A 21 21 ILE CA C 21 61.181 65.242 -4.061 1
1 98 . 1 1 1 A 21 21 ILE CB C 21 38.917 37.899 1.018 1
1 99 . 1 1 1 A 21 21 ILE N N 21 123.197 121.873 1.324 1
1 100 . 1 1 1 A 22 22 LYS H H 22 8.298 nan 8.298 1
1 100 . 1 1 1 A 22 22 LYS H H 22 8.298 8.172 0.126 1
1 101 . 1 1 1 A 22 22 LYS C C 22 176.913 178.430 -1.517 1
1 102 . 1 1 1 A 22 22 LYS CA C 22 56.455 58.743 -2.288 1
1 103 . 1 1 1 A 22 22 LYS CB C 22 33.280 32.227 1.053 1
1 104 . 1 1 1 A 22 22 LYS N N 22 126.002 120.663 5.339 1
1 105 . 1 1 1 A 23 23 LYS H H 23 8.303 nan 8.303 1
1 105 . 1 1 1 A 23 23 LYS H H 23 8.303 7.810 0.493 1
1 106 . 1 1 1 A 23 23 LYS C C 23 176.803 177.845 -1.042 1
1 107 . 1 1 1 A 23 23 LYS CA C 23 56.511 58.467 -1.956 1
1 108 . 1 1 1 A 23 23 LYS CB C 23 33.405 31.957 1.448 1
1 109 . 1 1 1 A 23 23 LYS N N 23 124.046 118.705 5.341 1
1 110 . 1 1 1 A 24 24 ARG H H 24 8.290 nan 8.290 1
1 110 . 1 1 1 A 24 24 ARG H H 24 8.290 7.896 0.394 1
1 111 . 1 1 1 A 24 24 ARG C C 24 176.542 175.003 1.539 1
1 112 . 1 1 1 A 24 24 ARG CA C 24 56.271 55.543 0.728 1
1 113 . 1 1 1 A 24 24 ARG CB C 24 31.370 30.268 1.102 1
1 114 . 1 1 1 A 24 24 ARG N N 24 122.968 115.070 7.898 1
1 115 . 1 1 1 A 25 25 PHE H H 25 8.322 nan 8.322 1
1 115 . 1 1 1 A 25 25 PHE H H 25 8.322 7.470 0.852 1
1 116 . 1 1 1 A 25 25 PHE C C 25 176.123 174.974 1.149 1
1 117 . 1 1 1 A 25 25 PHE CA C 25 57.699 56.587 1.112 1
1 118 . 1 1 1 A 25 25 PHE CB C 25 40.055 43.313 -3.258 1
1 119 . 1 1 1 A 25 25 PHE N N 25 121.540 119.196 2.344 1
1 120 . 1 1 1 A 26 26 ASP H H 26 8.436 nan 8.436 1
1 120 . 1 1 1 A 26 26 ASP H H 26 8.436 8.627 -0.191 1
1 121 . 1 1 1 A 26 26 ASP C C 26 176.328 176.614 -0.286 1
1 122 . 1 1 1 A 26 26 ASP CA C 26 54.421 54.650 -0.229 1
1 123 . 1 1 1 A 26 26 ASP CB C 26 41.638 41.953 -0.315 1
1 124 . 1 1 1 A 26 26 ASP N N 26 122.221 122.966 -0.745 1
1 125 . 1 1 1 A 27 27 ASP H H 27 8.266 nan 8.266 1
1 125 . 1 1 1 A 27 27 ASP H H 27 8.266 8.958 -0.692 1
1 126 . 1 1 1 A 27 27 ASP C C 27 176.977 176.400 0.577 1
1 127 . 1 1 1 A 27 27 ASP CA C 27 54.460 54.064 0.396 1
1 128 . 1 1 1 A 27 27 ASP CB C 27 41.637 41.413 0.224 1
1 129 . 1 1 1 A 27 27 ASP N N 27 120.870 121.133 -0.263 1
1 130 . 1 1 1 A 28 28 GLU H H 28 8.443 nan 8.443 1
1 130 . 1 1 1 A 28 28 GLU H H 28 8.443 8.253 0.190 1
1 131 . 1 1 1 A 28 28 GLU C C 28 177.395 177.857 -0.462 1
1 132 . 1 1 1 A 28 28 GLU CA C 28 57.000 57.417 -0.417 1
1 133 . 1 1 1 A 28 28 GLU CB C 28 30.399 33.301 -2.902 1
1 134 . 1 1 1 A 28 28 GLU N N 28 121.297 119.946 1.351 1
1 135 . 1 1 1 A 29 29 THR H H 29 8.215 nan 8.215 1
1 135 . 1 1 1 A 29 29 THR H H 29 8.215 8.068 0.147 1
1 136 . 1 1 1 A 29 29 THR C C 29 175.451 174.579 0.872 1
1 137 . 1 1 1 A 29 29 THR CA C 29 62.207 64.511 -2.304 1
1 138 . 1 1 1 A 29 29 THR CB C 29 70.123 69.630 0.493 1
1 139 . 1 1 1 A 29 29 THR N N 29 114.563 113.104 1.459 1
1 140 . 1 1 1 A 30 30 MET H H 30 8.340 nan 8.340 1
1 140 . 1 1 1 A 30 30 MET H H 30 8.340 7.845 0.495 1
1 141 . 1 1 1 A 30 30 MET C C 30 176.862 174.252 2.610 1
1 142 . 1 1 1 A 30 30 MET CA C 30 55.799 54.096 1.703 1
1 143 . 1 1 1 A 30 30 MET CB C 30 33.225 35.817 -2.592 1
1 144 . 1 1 1 A 30 30 MET N N 30 122.832 118.448 4.384 1
1 145 . 1 1 1 A 31 31 SER H H 31 8.262 nan 8.262 1
1 145 . 1 1 1 A 31 31 SER H H 31 8.262 8.670 -0.408 1
1 146 . 1 1 1 A 31 31 SER C C 31 174.971 174.269 0.702 1
1 147 . 1 1 1 A 31 31 SER CA C 31 58.612 57.650 0.962 1
1 148 . 1 1 1 A 31 31 SER CB C 31 64.093 65.636 -1.543 1
1 149 . 1 1 1 A 31 31 SER N N 31 117.087 118.343 -1.256 1
1 150 . 1 1 1 A 32 32 ASP H H 32 8.429 nan 8.429 1
1 150 . 1 1 1 A 32 32 ASP H H 32 8.429 8.691 -0.262 1
1 151 . 1 1 1 A 32 32 ASP C C 32 176.567 176.519 0.048 1
1 152 . 1 1 1 A 32 32 ASP CA C 32 54.437 54.597 -0.160 1
1 153 . 1 1 1 A 32 32 ASP CB C 32 41.602 41.437 0.165 1
1 154 . 1 1 1 A 32 32 ASP N N 32 123.252 121.274 1.978 1
1 155 . 1 1 1 A 33 33 ALA H H 33 8.132 nan 8.132 1
1 155 . 1 1 1 A 33 33 ALA H H 33 8.132 8.239 -0.107 1
1 156 . 1 1 1 A 33 33 ALA C C 33 178.128 177.009 1.119 1
1 157 . 1 1 1 A 33 33 ALA CA C 33 52.784 52.434 0.350 1
1 158 . 1 1 1 A 33 33 ALA CB C 33 19.711 18.793 0.918 1
1 159 . 1 1 1 A 33 33 ALA N N 33 123.901 124.558 -0.657 1
1 160 . 1 1 1 A 34 34 LEU H H 34 8.144 nan 8.144 1
1 160 . 1 1 1 A 34 34 LEU H H 34 8.144 8.877 -0.733 1
1 161 . 1 1 1 A 34 34 LEU C C 34 177.700 175.325 2.375 1
1 162 . 1 1 1 A 34 34 LEU CA C 34 55.474 53.291 2.183 1
1 163 . 1 1 1 A 34 34 LEU CB C 34 42.629 44.206 -1.577 1
1 164 . 1 1 1 A 34 34 LEU N N 34 121.144 124.344 -3.200 1
1 165 . 1 1 1 A 35 35 ASN H H 35 8.371 nan 8.371 1
1 165 . 1 1 1 A 35 35 ASN H H 35 8.371 8.639 -0.268 1
1 166 . 1 1 1 A 35 35 ASN C C 35 175.823 176.024 -0.201 1
1 167 . 1 1 1 A 35 35 ASN CA C 35 53.313 52.608 0.705 1
1 168 . 1 1 1 A 35 35 ASN CB C 35 39.084 39.487 -0.403 1
1 169 . 1 1 1 A 35 35 ASN N N 35 120.159 121.571 -1.412 1
1 170 . 1 1 1 A 36 36 VAL H H 36 7.962 nan 7.962 1
1 170 . 1 1 1 A 36 36 VAL H H 36 7.962 8.736 -0.774 1
1 171 . 1 1 1 A 36 36 VAL C C 36 176.277 176.892 -0.615 1
1 172 . 1 1 1 A 36 36 VAL CA C 36 62.424 63.726 -1.302 1
1 173 . 1 1 1 A 36 36 VAL CB C 36 33.013 30.163 2.850 1
1 174 . 1 1 1 A 36 36 VAL N N 36 119.508 123.686 -4.178 1
1 175 . 1 1 1 A 37 37 ASN H H 37 8.440 nan 8.440 1
1 175 . 1 1 1 A 37 37 ASN H H 37 8.440 8.386 0.054 1
1 176 . 1 1 1 A 37 37 ASN C C 37 175.594 176.469 -0.875 1
1 177 . 1 1 1 A 37 37 ASN CA C 37 53.398 56.378 -2.980 1
1 178 . 1 1 1 A 37 37 ASN CB C 37 39.311 38.059 1.252 1
1 179 . 1 1 1 A 37 37 ASN N N 37 122.082 119.564 2.518 1
1 180 . 1 1 1 A 38 38 ARG H H 38 8.204 nan 8.204 1
1 180 . 1 1 1 A 38 38 ARG H H 38 8.204 7.923 0.281 1
1 181 . 1 1 1 A 38 38 ARG C C 38 176.759 175.255 1.504 1
1 182 . 1 1 1 A 38 38 ARG CA C 38 56.340 54.804 1.536 1
1 183 . 1 1 1 A 38 38 ARG CB C 38 30.996 30.202 0.794 1
1 184 . 1 1 1 A 38 38 ARG N N 38 122.038 115.389 6.649 1
1 185 . 1 1 1 A 39 39 VAL H H 39 8.143 nan 8.143 1
1 185 . 1 1 1 A 39 39 VAL H H 39 8.143 7.544 0.599 1
1 186 . 1 1 1 A 39 39 VAL C C 39 176.713 175.630 1.083 1
1 187 . 1 1 1 A 39 39 VAL CA C 39 62.448 61.569 0.879 1
1 188 . 1 1 1 A 39 39 VAL CB C 39 33.040 32.978 0.062 1
1 189 . 1 1 1 A 39 39 VAL N N 39 121.321 121.463 -0.142 1
1 190 . 1 1 1 A 40 40 SER H H 40 8.383 nan 8.383 1
1 190 . 1 1 1 A 40 40 SER H H 40 8.383 8.819 -0.436 1
1 191 . 1 1 1 A 40 40 SER C C 40 174.983 175.702 -0.719 1
1 192 . 1 1 1 A 40 40 SER CA C 40 58.252 58.746 -0.494 1
1 193 . 1 1 1 A 40 40 SER CB C 40 64.281 64.173 0.108 1
1 194 . 1 1 1 A 40 40 SER N N 40 119.898 123.006 -3.108 1
1 195 . 1 1 1 A 41 41 ALA H H 41 8.350 nan 8.350 1
1 195 . 1 1 1 A 41 41 ALA H H 41 8.350 9.134 -0.784 1
1 196 . 1 1 1 A 41 41 ALA C C 41 178.371 179.610 -1.239 1
1 197 . 1 1 1 A 41 41 ALA CA C 41 53.125 55.021 -1.896 1
1 198 . 1 1 1 A 41 41 ALA CB C 41 19.717 18.133 1.584 1
1 199 . 1 1 1 A 41 41 ALA N N 41 126.509 127.044 -0.535 1
1 200 . 1 1 1 A 42 42 GLU H H 42 8.318 nan 8.318 1
1 200 . 1 1 1 A 42 42 GLU H H 42 8.318 8.099 0.219 1
1 201 . 1 1 1 A 42 42 GLU C C 42 176.817 178.833 -2.016 1
1 202 . 1 1 1 A 42 42 GLU CA C 42 56.839 59.652 -2.813 1
1 203 . 1 1 1 A 42 42 GLU CB C 42 30.355 29.364 0.991 1
1 204 . 1 1 1 A 42 42 GLU N N 42 119.321 119.178 0.143 1
1 205 . 1 1 1 A 43 43 ASP H H 43 8.185 nan 8.185 1
1 205 . 1 1 1 A 43 43 ASP H H 43 8.185 8.171 0.014 1
1 206 . 1 1 1 A 43 43 ASP C C 43 176.583 178.708 -2.125 1
1 207 . 1 1 1 A 43 43 ASP CA C 43 54.489 57.004 -2.515 1
1 208 . 1 1 1 A 43 43 ASP CB C 43 41.568 41.033 0.535 1
1 209 . 1 1 1 A 43 43 ASP N N 43 121.017 119.871 1.146 1
1 210 . 1 1 1 A 44 44 PHE H H 44 8.023 nan 8.023 1
1 210 . 1 1 1 A 44 44 PHE H H 44 8.023 8.158 -0.135 1
1 211 . 1 1 1 A 44 44 PHE C C 44 176.203 178.134 -1.931 1
1 212 . 1 1 1 A 44 44 PHE CA C 44 57.861 61.315 -3.454 1
1 213 . 1 1 1 A 44 44 PHE CB C 44 39.882 38.438 1.444 1
1 214 . 1 1 1 A 44 44 PHE N N 44 120.414 122.082 -1.668 1
1 215 . 1 1 1 A 45 45 ALA H H 45 8.194 nan 8.194 1
1 215 . 1 1 1 A 45 45 ALA H H 45 8.194 8.442 -0.248 1
1 216 . 1 1 1 A 45 45 ALA C C 45 178.035 179.781 -1.746 1
1 217 . 1 1 1 A 45 45 ALA CA C 45 52.692 54.968 -2.276 1
1 218 . 1 1 1 A 45 45 ALA CB C 45 19.697 18.463 1.234 1
1 219 . 1 1 1 A 45 45 ALA N N 45 124.990 121.534 3.456 1
1 220 . 1 1 1 A 46 46 GLN H H 46 8.168 nan 8.168 1
1 220 . 1 1 1 A 46 46 GLN H H 46 8.168 8.345 -0.177 1
1 221 . 1 1 1 A 46 46 GLN C C 46 176.331 175.885 0.446 1
1 222 . 1 1 1 A 46 46 GLN CA C 46 56.302 57.715 -1.413 1
1 223 . 1 1 1 A 46 46 GLN CB C 46 29.709 28.402 1.307 1
1 224 . 1 1 1 A 46 46 GLN N N 46 119.576 114.724 4.852 1
1 225 . 1 1 1 A 47 47 TYR H H 47 8.039 nan 8.039 1
1 225 . 1 1 1 A 47 47 TYR H H 47 8.039 7.644 0.395 1
1 226 . 1 1 1 A 47 47 TYR C C 47 176.356 176.151 0.205 1
1 227 . 1 1 1 A 47 47 TYR CA C 47 57.774 59.361 -1.587 1
1 228 . 1 1 1 A 47 47 TYR CB C 47 38.940 39.065 -0.125 1
1 229 . 1 1 1 A 47 47 TYR N N 47 120.792 119.421 1.371 1
1 230 . 1 1 1 A 48 48 GLN H H 48 8.242 nan 8.242 1
1 230 . 1 1 1 A 48 48 GLN H H 48 8.242 9.012 -0.770 1
1 231 . 1 1 1 A 48 48 GLN C C 48 175.998 174.985 1.013 1
1 232 . 1 1 1 A 48 48 GLN CA C 48 56.275 57.148 -0.873 1
1 233 . 1 1 1 A 48 48 GLN CB C 48 29.721 29.885 -0.164 1
1 234 . 1 1 1 A 48 48 GLN N N 48 121.796 125.457 -3.661 1
1 235 . 1 1 1 A 49 49 PHE H H 49 8.032 nan 8.032 1
1 235 . 1 1 1 A 49 49 PHE H H 49 8.032 7.638 0.394 1
1 236 . 1 1 1 A 49 49 PHE C C 49 175.958 174.877 1.081 1
1 237 . 1 1 1 A 49 49 PHE CA C 49 57.705 56.452 1.253 1
1 238 . 1 1 1 A 49 49 PHE CB C 49 39.733 42.639 -2.906 1
1 239 . 1 1 1 A 49 49 PHE N N 49 120.847 116.856 3.991 1
1 240 . 1 1 1 A 50 50 LEU H H 50 8.146 nan 8.146 1
1 240 . 1 1 1 A 50 50 LEU H H 50 8.146 8.988 -0.842 1
1 241 . 1 1 1 A 50 50 LEU C C 50 177.277 176.121 1.156 1
1 242 . 1 1 1 A 50 50 LEU CA C 50 55.318 53.603 1.715 1
1 243 . 1 1 1 A 50 50 LEU CB C 50 42.824 46.255 -3.431 1
1 244 . 1 1 1 A 50 50 LEU N N 50 123.883 123.308 0.575 1
1 245 . 1 1 1 A 51 51 ILE H H 51 8.129 nan 8.129 1
1 245 . 1 1 1 A 51 51 ILE H H 51 8.129 8.830 -0.701 1
1 246 . 1 1 1 A 51 51 ILE C C 51 176.635 174.643 1.992 1
1 247 . 1 1 1 A 51 51 ILE CA C 51 61.193 59.974 1.219 1
1 248 . 1 1 1 A 51 51 ILE CB C 51 38.594 40.495 -1.901 1
1 249 . 1 1 1 A 51 51 ILE N N 51 122.968 123.337 -0.369 1
1 250 . 1 1 1 A 52 52 LEU H H 52 8.290 nan 8.290 1
1 250 . 1 1 1 A 52 52 LEU H H 52 8.290 8.974 -0.684 1
1 251 . 1 1 1 A 52 52 LEU C C 52 178.208 175.546 2.662 1
1 252 . 1 1 1 A 52 52 LEU CA C 52 55.248 53.070 2.178 1
1 253 . 1 1 1 A 52 52 LEU CB C 52 42.627 45.272 -2.645 1
1 254 . 1 1 1 A 52 52 LEU N N 52 126.825 127.625 -0.800 1
1 255 . 1 1 1 A 53 53 GLY H H 53 8.324 nan 8.324 1
1 255 . 1 1 1 A 53 53 GLY H H 53 8.324 8.991 -0.667 1
1 256 . 1 1 1 A 53 53 GLY C C 53 174.293 172.111 2.182 1
1 257 . 1 1 1 A 53 53 GLY CA C 53 45.358 43.089 2.269 1
1 258 . 1 1 1 A 53 53 GLY N N 53 110.183 112.008 -1.825 1
1 259 . 1 1 1 A 54 54 THR H H 54 8.070 nan 8.070 1
1 259 . 1 1 1 A 54 54 THR H H 54 8.070 8.634 -0.564 1
1 260 . 1 1 1 A 54 54 THR C C 54 173.620 172.285 1.335 1
1 261 . 1 1 1 A 54 54 THR CA C 54 59.927 58.661 1.266 1
1 262 . 1 1 1 A 54 54 THR CB C 54 69.854 72.133 -2.279 1
1 263 . 1 1 1 A 54 54 THR N N 54 115.869 115.354 0.515 1
1 264 . 1 1 1 A 55 55 PRO C C 55 177.547 175.172 2.375 1
1 265 . 1 1 1 A 55 55 PRO CA C 55 63.508 62.205 1.303 1
1 266 . 1 1 1 A 55 55 PRO CB C 55 32.280 33.059 -0.779 1
1 267 . 1 1 1 A 56 56 THR H H 56 8.221 nan 8.221 1
1 267 . 1 1 1 A 56 56 THR H H 56 8.221 8.364 -0.143 1
1 268 . 1 1 1 A 56 56 THR C C 56 175.237 173.256 1.981 1
1 269 . 1 1 1 A 56 56 THR CA C 56 61.906 60.720 1.186 1
1 270 . 1 1 1 A 56 56 THR CB C 56 70.144 70.572 -0.428 1
1 271 . 1 1 1 A 56 56 THR N N 56 115.024 113.715 1.309 1
1 272 . 1 1 1 A 57 57 LEU H H 57 8.268 nan 8.268 1
1 272 . 1 1 1 A 57 57 LEU H H 57 8.268 9.002 -0.734 1
1 273 . 1 1 1 A 57 57 LEU C C 57 178.258 177.018 1.240 1
1 274 . 1 1 1 A 57 57 LEU CA C 57 55.517 53.137 2.380 1
1 275 . 1 1 1 A 57 57 LEU CB C 57 42.652 44.125 -1.473 1
1 276 . 1 1 1 A 57 57 LEU N N 57 124.897 126.368 -1.471 1
1 277 . 1 1 1 A 58 58 GLY H H 58 8.489 nan 8.489 1
1 277 . 1 1 1 A 58 58 GLY H H 58 8.489 8.453 0.036 1
1 278 . 1 1 1 A 58 58 GLY C C 58 174.712 174.914 -0.202 1
1 279 . 1 1 1 A 58 58 GLY CA C 58 45.462 46.377 -0.915 1
1 280 . 1 1 1 A 58 58 GLY N N 58 110.608 109.272 1.336 1
1 281 . 1 1 1 A 59 59 GLU H H 59 8.331 nan 8.331 1
1 281 . 1 1 1 A 59 59 GLU H H 59 8.331 9.259 -0.928 1
1 282 . 1 1 1 A 59 59 GLU C C 59 177.615 176.615 1.000 1
1 283 . 1 1 1 A 59 59 GLU CA C 59 56.960 57.588 -0.628 1
1 284 . 1 1 1 A 59 59 GLU CB C 59 30.580 28.246 2.334 1
1 285 . 1 1 1 A 59 59 GLU N N 59 121.130 122.506 -1.376 1
1 286 . 1 1 1 A 60 60 GLY H H 60 8.465 nan 8.465 1
1 286 . 1 1 1 A 60 60 GLY H H 60 8.465 8.710 -0.245 1
1 287 . 1 1 1 A 60 60 GLY C C 60 174.407 173.948 0.459 1
1 288 . 1 1 1 A 60 60 GLY CA C 60 45.445 46.931 -1.486 1
1 289 . 1 1 1 A 60 60 GLY N N 60 110.295 104.383 5.912 1
1 290 . 1 1 1 A 61 61 GLU H H 61 8.175 nan 8.175 1
1 290 . 1 1 1 A 61 61 GLU H H 61 8.175 7.899 0.276 1
1 291 . 1 1 1 A 61 61 GLU C C 61 176.853 175.629 1.224 1
1 292 . 1 1 1 A 61 61 GLU CA C 61 56.325 54.529 1.796 1
1 293 . 1 1 1 A 61 61 GLU CB C 61 30.837 31.819 -0.982 1
1 294 . 1 1 1 A 61 61 GLU N N 61 120.892 118.684 2.208 1
1 295 . 1 1 1 A 62 62 LEU H H 62 8.304 nan 8.304 1
1 295 . 1 1 1 A 62 62 LEU H H 62 8.304 8.523 -0.219 1
1 296 . 1 1 1 A 62 62 LEU C C 62 175.842 175.156 0.686 1
1 297 . 1 1 1 A 62 62 LEU CA C 62 53.277 53.382 -0.105 1
1 298 . 1 1 1 A 62 62 LEU CB C 62 41.774 41.041 0.733 1
1 299 . 1 1 1 A 62 62 LEU N N 62 124.229 122.145 2.084 1
1 300 . 1 1 1 A 63 63 PRO C C 63 177.962 176.551 1.411 1
1 301 . 1 1 1 A 63 63 PRO CA C 63 63.473 62.918 0.555 1
1 302 . 1 1 1 A 63 63 PRO CB C 63 32.313 32.727 -0.414 1
1 303 . 1 1 1 A 64 64 GLY H H 64 8.432 nan 8.432 1
1 303 . 1 1 1 A 64 64 GLY H H 64 8.432 8.086 0.346 1
1 304 . 1 1 1 A 64 64 GLY C C 64 174.523 174.300 0.223 1
1 305 . 1 1 1 A 64 64 GLY CA C 64 45.512 45.361 0.151 1
1 306 . 1 1 1 A 64 64 GLY N N 64 109.930 107.049 2.881 1
1 307 . 1 1 1 A 65 65 LEU H H 65 8.119 nan 8.119 1
1 307 . 1 1 1 A 65 65 LEU H H 65 8.119 8.979 -0.860 1
1 308 . 1 1 1 A 65 65 LEU C C 65 178.186 178.755 -0.569 1
1 309 . 1 1 1 A 65 65 LEU CA C 65 55.310 57.180 -1.870 1
1 310 . 1 1 1 A 65 65 LEU CB C 65 42.859 41.500 1.359 1
1 311 . 1 1 1 A 65 65 LEU N N 65 122.247 121.195 1.052 1
1 312 . 1 1 1 A 66 66 SER H H 66 8.368 nan 8.368 1
1 312 . 1 1 1 A 66 66 SER H H 66 8.368 8.074 0.294 1
1 313 . 1 1 1 A 66 66 SER C C 66 175.344 175.596 -0.252 1
1 314 . 1 1 1 A 66 66 SER CA C 66 58.536 61.447 -2.911 1
1 315 . 1 1 1 A 66 66 SER CB C 66 64.115 63.261 0.854 1
1 316 . 1 1 1 A 66 66 SER N N 66 117.272 115.729 1.543 1
1 317 . 1 1 1 A 67 67 SER H H 67 8.380 nan 8.380 1
1 317 . 1 1 1 A 67 67 SER H H 67 8.380 7.785 0.595 1
1 318 . 1 1 1 A 67 67 SER C C 67 175.030 173.775 1.255 1
1 319 . 1 1 1 A 67 67 SER CA C 67 58.650 58.088 0.562 1
1 320 . 1 1 1 A 67 67 SER CB C 67 64.095 63.207 0.888 1
1 321 . 1 1 1 A 67 67 SER N N 67 118.078 113.175 4.903 1
1 322 . 1 1 1 A 68 68 ASP H H 68 8.394 nan 8.394 1
1 322 . 1 1 1 A 68 68 ASP H H 68 8.394 8.135 0.259 1
1 323 . 1 1 1 A 68 68 ASP C C 68 176.641 175.092 1.549 1
1 324 . 1 1 1 A 68 68 ASP CA C 68 54.635 55.413 -0.778 1
1 325 . 1 1 1 A 68 68 ASP CB C 68 41.530 39.103 2.427 1
1 326 . 1 1 1 A 68 68 ASP N N 68 122.801 116.966 5.835 1
1 327 . 1 1 1 A 69 69 ALA H H 69 8.100 nan 8.100 1
1 327 . 1 1 1 A 69 69 ALA H H 69 8.100 7.664 0.436 1
1 328 . 1 1 1 A 69 69 ALA C C 69 178.408 177.945 0.463 1
1 329 . 1 1 1 A 69 69 ALA CA C 69 52.945 52.150 0.795 1
1 330 . 1 1 1 A 69 69 ALA CB C 69 19.730 19.594 0.136 1
1 331 . 1 1 1 A 69 69 ALA N N 69 123.770 120.069 3.701 1
1 332 . 1 1 1 A 70 70 GLU H H 70 8.307 nan 8.307 1
1 332 . 1 1 1 A 70 70 GLU H H 70 8.307 8.738 -0.431 1
1 333 . 1 1 1 A 70 70 GLU C C 70 176.936 175.777 1.159 1
1 334 . 1 1 1 A 70 70 GLU CA C 70 56.839 59.825 -2.986 1
1 335 . 1 1 1 A 70 70 GLU CB C 70 30.322 29.820 0.502 1
1 336 . 1 1 1 A 70 70 GLU N N 70 119.717 121.347 -1.630 1
1 337 . 1 1 1 A 71 71 ASN H H 71 8.267 nan 8.267 1
1 337 . 1 1 1 A 71 71 ASN H H 71 8.267 8.070 0.197 1
1 338 . 1 1 1 A 71 71 ASN C C 71 175.785 174.991 0.794 1
1 339 . 1 1 1 A 71 71 ASN CA C 71 53.424 51.900 1.524 1
1 340 . 1 1 1 A 71 71 ASN CB C 71 39.324 41.777 -2.453 1
1 341 . 1 1 1 A 71 71 ASN N N 71 119.322 115.782 3.540 1
1 342 . 1 1 1 A 72 72 GLU H H 72 8.362 nan 8.362 1
1 342 . 1 1 1 A 72 72 GLU H H 72 8.362 8.511 -0.149 1
1 343 . 1 1 1 A 72 72 GLU C C 72 177.017 176.411 0.606 1
1 344 . 1 1 1 A 72 72 GLU CA C 72 56.749 57.187 -0.438 1
1 345 . 1 1 1 A 72 72 GLU CB C 72 30.589 30.646 -0.057 1
1 346 . 1 1 1 A 72 72 GLU N N 72 121.467 120.797 0.670 1
1 347 . 1 1 1 A 73 73 SER H H 73 8.313 nan 8.313 1
1 347 . 1 1 1 A 73 73 SER H H 73 8.313 8.626 -0.313 1
1 348 . 1 1 1 A 73 73 SER C C 73 175.011 173.452 1.559 1
1 349 . 1 1 1 A 73 73 SER CA C 73 58.678 56.125 2.553 1
1 350 . 1 1 1 A 73 73 SER CB C 73 64.083 65.204 -1.121 1
1 351 . 1 1 1 A 73 73 SER N N 73 116.783 114.748 2.035 1
1 352 . 1 1 1 A 74 74 TRP H H 74 8.106 nan 8.106 1
1 352 . 1 1 1 A 74 74 TRP H H 74 8.106 8.936 -0.830 1
1 353 . 1 1 1 A 74 74 TRP C C 74 176.742 178.518 -1.776 1
1 354 . 1 1 1 A 74 74 TRP CA C 74 57.617 60.658 -3.041 1
1 355 . 1 1 1 A 74 74 TRP CB C 74 29.954 29.336 0.618 1
1 356 . 1 1 1 A 74 74 TRP N N 74 123.431 124.421 -0.990 1
1 357 . 1 1 1 A 75 75 GLU H H 75 8.156 nan 8.156 1
1 357 . 1 1 1 A 75 75 GLU H H 75 8.156 8.344 -0.188 1
1 358 . 1 1 1 A 75 75 GLU C C 75 176.610 179.139 -2.529 1
1 359 . 1 1 1 A 75 75 GLU CA C 75 56.642 59.926 -3.284 1
1 360 . 1 1 1 A 75 75 GLU CB C 75 30.553 29.278 1.275 1
1 361 . 1 1 1 A 75 75 GLU N N 75 122.205 119.586 2.619 1
1 362 . 1 1 1 A 76 76 GLU H H 76 8.199 nan 8.199 1
1 362 . 1 1 1 A 76 76 GLU H H 76 8.199 8.133 0.066 1
1 363 . 1 1 1 A 76 76 GLU C C 76 176.420 178.571 -2.151 1
1 364 . 1 1 1 A 76 76 GLU CA C 76 56.660 58.156 -1.496 1
1 365 . 1 1 1 A 76 76 GLU CB C 76 30.680 29.628 1.052 1
1 366 . 1 1 1 A 76 76 GLU N N 76 121.881 119.189 2.692 1
1 367 . 1 1 1 A 77 77 PHE H H 77 8.167 nan 8.167 1
1 367 . 1 1 1 A 77 77 PHE H H 77 8.167 8.235 -0.068 1
1 368 . 1 1 1 A 77 77 PHE C C 77 175.660 177.159 -1.499 1
1 369 . 1 1 1 A 77 77 PHE CA C 77 57.481 61.224 -3.743 1
1 370 . 1 1 1 A 77 77 PHE CB C 77 39.974 38.786 1.188 1
1 371 . 1 1 1 A 77 77 PHE N N 77 121.384 123.091 -1.707 1
1 372 . 1 1 1 A 78 78 LEU H H 78 8.130 nan 8.130 1
1 372 . 1 1 1 A 78 78 LEU H H 78 8.130 8.219 -0.089 1
1 373 . 1 1 1 A 78 78 LEU C C 78 175.192 175.794 -0.602 1
1 374 . 1 1 1 A 78 78 LEU CA C 78 52.760 59.706 -6.946 1
1 375 . 1 1 1 A 78 78 LEU CB C 78 42.109 39.507 2.602 1
1 376 . 1 1 1 A 78 78 LEU N N 78 125.740 119.357 6.383 1
1 377 . 1 1 1 A 79 79 PRO C C 79 177.245 178.697 -1.452 1
1 378 . 1 1 1 A 79 79 PRO CA C 79 63.018 65.180 -2.162 1
1 379 . 1 1 1 A 79 79 PRO CB C 79 32.285 31.176 1.109 1
1 380 . 1 1 1 A 80 80 LYS H H 80 8.450 nan 8.450 1
1 380 . 1 1 1 A 80 80 LYS H H 80 8.450 8.453 -0.003 1
1 381 . 1 1 1 A 80 80 LYS C C 80 177.164 178.093 -0.929 1
1 382 . 1 1 1 A 80 80 LYS CA C 80 56.776 58.191 -1.415 1
1 383 . 1 1 1 A 80 80 LYS CB C 80 33.061 32.101 0.960 1
1 384 . 1 1 1 A 80 80 LYS N N 80 123.117 116.677 6.440 1
1 385 . 1 1 1 A 81 81 ILE H H 81 8.167 nan 8.167 1
1 385 . 1 1 1 A 81 81 ILE H H 81 8.167 7.648 0.519 1
1 386 . 1 1 1 A 81 81 ILE C C 81 176.584 177.188 -0.604 1
1 387 . 1 1 1 A 81 81 ILE CA C 81 61.193 60.432 0.761 1
1 388 . 1 1 1 A 81 81 ILE CB C 81 38.917 38.386 0.531 1
1 389 . 1 1 1 A 81 81 ILE N N 81 122.905 112.047 10.858 1
1 390 . 1 1 1 A 82 82 GLU H H 82 8.458 nan 8.458 1
1 390 . 1 1 1 A 82 82 GLU H H 82 8.458 8.501 -0.043 1
1 391 . 1 1 1 A 82 82 GLU C C 82 177.288 177.382 -0.094 1
1 392 . 1 1 1 A 82 82 GLU CA C 82 56.702 58.461 -1.759 1
1 393 . 1 1 1 A 82 82 GLU CB C 82 30.682 28.768 1.914 1
1 394 . 1 1 1 A 82 82 GLU N N 82 125.474 124.090 1.384 1
1 395 . 1 1 1 A 83 83 GLY H H 83 8.364 nan 8.364 1
1 395 . 1 1 1 A 83 83 GLY H H 83 8.364 8.046 0.318 1
1 396 . 1 1 1 A 83 83 GLY C C 83 174.422 174.226 0.196 1
1 397 . 1 1 1 A 83 83 GLY CA C 83 45.610 45.019 0.591 1
1 398 . 1 1 1 A 83 83 GLY N N 83 110.607 107.873 2.734 1
1 399 . 1 1 1 A 84 84 LEU H H 84 8.055 nan 8.055 1
1 399 . 1 1 1 A 84 84 LEU H H 84 8.055 7.337 0.718 1
1 400 . 1 1 1 A 84 84 LEU C C 84 177.464 175.999 1.465 1
1 401 . 1 1 1 A 84 84 LEU CA C 84 55.326 54.171 1.155 1
1 402 . 1 1 1 A 84 84 LEU CB C 84 42.853 42.830 0.023 1
1 403 . 1 1 1 A 84 84 LEU N N 84 121.946 120.917 1.029 1
1 404 . 1 1 1 A 85 85 ASP H H 85 8.347 nan 8.347 1
1 404 . 1 1 1 A 85 85 ASP H H 85 8.347 8.457 -0.110 1
1 405 . 1 1 1 A 85 85 ASP C C 85 176.463 175.932 0.531 1
1 406 . 1 1 1 A 85 85 ASP CA C 85 54.185 52.493 1.692 1
1 407 . 1 1 1 A 85 85 ASP CB C 85 41.634 43.596 -1.962 1
1 408 . 1 1 1 A 85 85 ASP N N 85 121.113 123.389 -2.276 1
1 409 . 1 1 1 A 86 86 PHE H H 86 8.196 nan 8.196 1
1 409 . 1 1 1 A 86 86 PHE H H 86 8.196 8.522 -0.326 1
1 410 . 1 1 1 A 86 86 PHE C C 86 176.467 175.937 0.530 1
1 411 . 1 1 1 A 86 86 PHE CA C 86 57.905 57.036 0.869 1
1 412 . 1 1 1 A 86 86 PHE CB C 86 39.767 39.363 0.404 1
1 413 . 1 1 1 A 86 86 PHE N N 86 121.364 124.290 -2.926 1
1 414 . 1 1 1 A 87 87 SER H H 87 8.360 nan 8.360 1
1 414 . 1 1 1 A 87 87 SER H H 87 8.360 7.699 0.661 1
1 415 . 1 1 1 A 87 87 SER C C 87 175.465 175.745 -0.280 1
1 416 . 1 1 1 A 87 87 SER CA C 87 58.774 60.547 -1.773 1
1 417 . 1 1 1 A 87 87 SER CB C 87 64.256 62.981 1.275 1
1 418 . 1 1 1 A 87 87 SER N N 87 117.756 114.733 3.023 1
1 419 . 1 1 1 A 88 88 GLY H H 88 8.090 nan 8.090 1
1 419 . 1 1 1 A 88 88 GLY H H 88 8.090 8.183 -0.093 1
1 420 . 1 1 1 A 88 88 GLY C C 88 174.412 173.379 1.033 1
1 421 . 1 1 1 A 88 88 GLY CA C 88 45.618 45.325 0.293 1
1 422 . 1 1 1 A 88 88 GLY N N 88 111.145 112.851 -1.706 1
1 423 . 1 1 1 A 89 89 LYS H H 89 8.172 nan 8.172 1
1 423 . 1 1 1 A 89 89 LYS H H 89 8.172 7.937 0.235 1
1 424 . 1 1 1 A 89 89 LYS C C 89 177.400 175.687 1.713 1
1 425 . 1 1 1 A 89 89 LYS CA C 89 56.657 54.103 2.554 1
1 426 . 1 1 1 A 89 89 LYS CB C 89 33.515 34.510 -0.995 1
1 427 . 1 1 1 A 89 89 LYS N N 89 121.446 120.167 1.279 1
1 428 . 1 1 1 A 90 90 THR H H 90 8.207 nan 8.207 1
1 428 . 1 1 1 A 90 90 THR H H 90 8.207 8.702 -0.495 1
1 429 . 1 1 1 A 90 90 THR C C 90 175.119 173.416 1.703 1
1 430 . 1 1 1 A 90 90 THR CA C 90 61.959 61.791 0.168 1
1 431 . 1 1 1 A 90 90 THR CB C 90 70.206 70.181 0.025 1
1 432 . 1 1 1 A 90 90 THR N N 90 116.109 116.087 0.022 1
1 433 . 1 1 1 A 91 91 VAL H H 91 8.096 nan 8.096 1
1 433 . 1 1 1 A 91 91 VAL H H 91 8.096 8.948 -0.852 1
1 434 . 1 1 1 A 91 91 VAL C C 91 176.094 174.759 1.335 1
1 435 . 1 1 1 A 91 91 VAL CA C 91 62.096 60.275 1.821 1
1 436 . 1 1 1 A 91 91 VAL CB C 91 33.137 35.325 -2.188 1
1 437 . 1 1 1 A 91 91 VAL N N 91 122.534 125.597 -3.063 1
1 438 . 1 1 1 A 92 92 ALA H H 92 8.258 nan 8.258 1
1 438 . 1 1 1 A 92 92 ALA H H 92 8.258 8.880 -0.622 1
1 439 . 1 1 1 A 92 92 ALA C C 92 177.719 176.049 1.670 1
1 440 . 1 1 1 A 92 92 ALA CA C 92 52.391 50.547 1.844 1
1 441 . 1 1 1 A 92 92 ALA CB C 92 19.723 22.348 -2.625 1
1 442 . 1 1 1 A 92 92 ALA N N 92 127.883 128.298 -0.415 1
1 443 . 1 1 1 A 93 93 LEU H H 93 8.095 nan 8.095 1
1 443 . 1 1 1 A 93 93 LEU H H 93 8.095 8.967 -0.872 1
1 444 . 1 1 1 A 93 93 LEU C C 93 177.486 175.913 1.573 1
1 445 . 1 1 1 A 93 93 LEU CA C 93 55.318 53.820 1.498 1
1 446 . 1 1 1 A 93 93 LEU CB C 93 42.800 45.147 -2.347 1
1 447 . 1 1 1 A 93 93 LEU N N 93 122.472 122.932 -0.460 1
1 448 . 1 1 1 A 94 94 PHE H H 94 8.138 nan 8.138 1
1 448 . 1 1 1 A 94 94 PHE H H 94 8.138 8.945 -0.807 1
1 449 . 1 1 1 A 94 94 PHE C C 94 176.793 173.201 3.592 1
1 450 . 1 1 1 A 94 94 PHE CA C 94 57.656 54.876 2.780 1
1 451 . 1 1 1 A 94 94 PHE CB C 94 40.057 41.965 -1.908 1
1 452 . 1 1 1 A 94 94 PHE N N 94 120.251 119.126 1.125 1
1 453 . 1 1 1 A 95 95 GLY H H 95 8.393 nan 8.393 1
1 453 . 1 1 1 A 95 95 GLY H H 95 8.393 8.825 -0.432 1
1 454 . 1 1 1 A 95 95 GLY C C 95 174.593 171.712 2.881 1
1 455 . 1 1 1 A 95 95 GLY CA C 95 45.638 43.649 1.989 1
1 456 . 1 1 1 A 95 95 GLY N N 95 110.825 108.401 2.424 1
1 457 . 1 1 1 A 96 96 LEU H H 96 8.148 nan 8.148 1
1 457 . 1 1 1 A 96 96 LEU H H 96 8.148 8.607 -0.459 1
1 458 . 1 1 1 A 96 96 LEU C C 96 178.496 176.709 1.787 1
1 459 . 1 1 1 A 96 96 LEU CA C 96 55.578 53.052 2.526 1
1 460 . 1 1 1 A 96 96 LEU CB C 96 42.641 45.129 -2.488 1
1 461 . 1 1 1 A 96 96 LEU N N 96 122.065 122.383 -0.318 1
1 462 . 1 1 1 A 97 97 GLY H H 97 8.431 nan 8.431 1
1 462 . 1 1 1 A 97 97 GLY H H 97 8.431 8.286 0.145 1
1 463 . 1 1 1 A 97 97 GLY C C 97 174.523 171.507 3.016 1
1 464 . 1 1 1 A 97 97 GLY CA C 97 45.630 45.732 -0.102 1
1 465 . 1 1 1 A 97 97 GLY N N 97 109.930 109.411 0.519 1
1 466 . 1 1 1 A 98 98 ASP H H 98 8.261 nan 8.261 1
1 466 . 1 1 1 A 98 98 ASP H H 98 8.261 8.616 -0.355 1
1 467 . 1 1 1 A 98 98 ASP C C 98 176.821 176.362 0.459 1
1 468 . 1 1 1 A 98 98 ASP CA C 98 54.460 52.739 1.721 1
1 469 . 1 1 1 A 98 98 ASP CB C 98 41.637 42.285 -0.648 1
1 470 . 1 1 1 A 98 98 ASP N N 98 121.083 120.373 0.710 1
1 471 . 1 1 1 A 99 99 GLN H H 99 8.337 nan 8.337 1
1 471 . 1 1 1 A 99 99 GLN H H 99 8.337 8.846 -0.509 1
1 472 . 1 1 1 A 99 99 GLN C C 99 176.417 177.661 -1.244 1
1 473 . 1 1 1 A 99 99 GLN CA C 99 56.110 57.991 -1.881 1
1 474 . 1 1 1 A 99 99 GLN CB C 99 29.649 27.487 2.162 1
1 475 . 1 1 1 A 99 99 GLN N N 99 120.439 124.896 -4.457 1
1 476 . 1 1 1 A 100 100 VAL H H 100 8.008 nan 8.008 1
1 476 . 1 1 1 A 100 100 VAL H H 100 8.008 7.847 0.161 1
1 477 . 1 1 1 A 100 100 VAL C C 100 176.936 178.754 -1.818 1
1 478 . 1 1 1 A 100 100 VAL CA C 100 62.481 66.249 -3.768 1
1 479 . 1 1 1 A 100 100 VAL CB C 100 33.041 31.990 1.051 1
1 480 . 1 1 1 A 100 100 VAL N N 100 120.473 120.111 0.362 1
1 481 . 1 1 1 A 101 101 GLY H H 101 8.309 nan 8.309 1
1 481 . 1 1 1 A 101 101 GLY H H 101 8.309 8.187 0.122 1
1 482 . 1 1 1 A 101 101 GLY C C 101 173.774 173.882 -0.108 1
1 483 . 1 1 1 A 101 101 GLY CA C 101 45.215 45.560 -0.345 1
1 484 . 1 1 1 A 101 101 GLY N N 101 112.520 108.055 4.465 1
1 485 . 1 1 1 A 102 102 TYR H H 102 8.082 nan 8.082 1
1 485 . 1 1 1 A 102 102 TYR H H 102 8.082 7.774 0.308 1
1 486 . 1 1 1 A 102 102 TYR C C 102 174.636 175.149 -0.513 1
1 487 . 1 1 1 A 102 102 TYR CA C 102 56.157 55.397 0.760 1
1 488 . 1 1 1 A 102 102 TYR CB C 102 38.484 38.674 -0.190 1
1 489 . 1 1 1 A 102 102 TYR N N 102 121.224 118.104 3.120 1
1 490 . 1 1 1 A 103 103 PRO C C 103 177.390 177.575 -0.185 1
1 491 . 1 1 1 A 103 103 PRO CA C 103 63.372 65.280 -1.908 1
1 492 . 1 1 1 A 103 103 PRO CB C 103 32.189 31.855 0.334 1
1 493 . 1 1 1 A 104 104 GLU H H 104 8.554 nan 8.554 1
1 493 . 1 1 1 A 104 104 GLU H H 104 8.554 8.374 0.180 1
1 494 . 1 1 1 A 104 104 GLU C C 104 176.871 177.156 -0.285 1
1 495 . 1 1 1 A 104 104 GLU CA C 104 57.288 56.882 0.406 1
1 496 . 1 1 1 A 104 104 GLU CB C 104 30.241 30.267 -0.026 1
1 497 . 1 1 1 A 104 104 GLU N N 104 121.351 117.334 4.017 1
1 498 . 1 1 1 A 105 105 ASN H H 105 8.345 nan 8.345 1
1 498 . 1 1 1 A 105 105 ASN H H 105 8.345 7.931 0.414 1
1 499 . 1 1 1 A 105 105 ASN C C 105 175.608 174.486 1.122 1
1 500 . 1 1 1 A 105 105 ASN CA C 105 53.305 52.589 0.716 1
1 501 . 1 1 1 A 105 105 ASN CB C 105 39.197 39.826 -0.629 1
1 502 . 1 1 1 A 105 105 ASN N N 105 118.880 117.238 1.642 1
1 503 . 1 1 1 A 106 106 TYR H H 106 8.060 nan 8.060 1
1 503 . 1 1 1 A 106 106 TYR H H 106 8.060 7.566 0.494 1
1 504 . 1 1 1 A 106 106 TYR C C 106 176.386 176.413 -0.027 1
1 505 . 1 1 1 A 106 106 TYR CA C 106 58.478 59.460 -0.982 1
1 506 . 1 1 1 A 106 106 TYR CB C 106 38.955 38.195 0.760 1
1 507 . 1 1 1 A 106 106 TYR N N 106 120.967 123.506 -2.539 1
1 508 . 1 1 1 A 107 107 LEU H H 107 8.091 nan 8.091 1
1 508 . 1 1 1 A 107 107 LEU H H 107 8.091 8.902 -0.811 1
1 509 . 1 1 1 A 107 107 LEU C C 107 177.663 175.935 1.728 1
1 510 . 1 1 1 A 107 107 LEU CA C 107 55.525 55.866 -0.341 1
1 511 . 1 1 1 A 107 107 LEU CB C 107 42.451 38.889 3.562 1
1 512 . 1 1 1 A 107 107 LEU N N 107 123.037 125.165 -2.128 1
1 513 . 1 1 1 A 108 108 ASP H H 108 8.185 nan 8.185 1
1 513 . 1 1 1 A 108 108 ASP H H 108 8.185 8.166 0.019 1
1 514 . 1 1 1 A 108 108 ASP C C 108 176.583 178.496 -1.913 1
1 515 . 1 1 1 A 108 108 ASP CA C 108 54.489 57.260 -2.771 1
1 516 . 1 1 1 A 108 108 ASP CB C 108 41.568 40.395 1.173 1
1 517 . 1 1 1 A 108 108 ASP N N 108 121.059 118.908 2.151 1
1 518 . 1 1 1 A 109 109 ALA H H 109 8.093 nan 8.093 1
1 518 . 1 1 1 A 109 109 ALA H H 109 8.093 7.810 0.283 1
1 519 . 1 1 1 A 109 109 ALA C C 109 178.280 179.774 -1.494 1
1 520 . 1 1 1 A 109 109 ALA CA C 109 52.940 54.963 -2.023 1
1 521 . 1 1 1 A 109 109 ALA CB C 109 19.740 18.416 1.324 1
1 522 . 1 1 1 A 109 109 ALA N N 109 123.889 121.846 2.043 1
1 523 . 1 1 1 A 110 110 LEU H H 110 8.126 nan 8.126 1
1 523 . 1 1 1 A 110 110 LEU H H 110 8.126 8.273 -0.147 1
1 524 . 1 1 1 A 110 110 LEU C C 110 178.502 178.834 -0.332 1
1 525 . 1 1 1 A 110 110 LEU CA C 110 55.668 57.024 -1.356 1
1 526 . 1 1 1 A 110 110 LEU CB C 110 42.539 42.017 0.522 1
1 527 . 1 1 1 A 110 110 LEU N N 110 121.052 120.073 0.979 1
1 528 . 1 1 1 A 111 111 GLY H H 111 8.264 nan 8.264 1
1 528 . 1 1 1 A 111 111 GLY H H 111 8.264 8.260 0.004 1
1 529 . 1 1 1 A 111 111 GLY C C 111 174.637 175.604 -0.967 1
1 530 . 1 1 1 A 111 111 GLY CA C 111 45.651 47.182 -1.531 1
1 531 . 1 1 1 A 111 111 GLY N N 111 109.450 106.872 2.578 1
1 532 . 1 1 1 A 112 112 GLU H H 112 8.216 nan 8.216 1
1 532 . 1 1 1 A 112 112 GLU H H 112 8.216 8.299 -0.083 1
1 533 . 1 1 1 A 112 112 GLU C C 112 177.013 178.693 -1.680 1
1 534 . 1 1 1 A 112 112 GLU CA C 112 56.585 59.098 -2.513 1
1 535 . 1 1 1 A 112 112 GLU CB C 112 30.598 29.336 1.262 1
1 536 . 1 1 1 A 112 112 GLU N N 112 121.026 121.420 -0.394 1
1 537 . 1 1 1 A 113 113 LEU H H 113 8.190 nan 8.190 1
1 537 . 1 1 1 A 113 113 LEU H H 113 8.190 7.955 0.235 1
1 538 . 1 1 1 A 113 113 LEU C C 113 177.538 178.375 -0.837 1
1 539 . 1 1 1 A 113 113 LEU CA C 113 55.550 57.581 -2.031 1
1 540 . 1 1 1 A 113 113 LEU CB C 113 42.544 41.519 1.025 1
1 541 . 1 1 1 A 113 113 LEU N N 113 122.963 120.848 2.115 1
1 542 . 1 1 1 A 114 114 TYR H H 114 8.087 nan 8.087 1
1 542 . 1 1 1 A 114 114 TYR H H 114 8.087 8.325 -0.238 1
1 543 . 1 1 1 A 114 114 TYR C C 114 176.423 177.196 -0.773 1
1 544 . 1 1 1 A 114 114 TYR CA C 114 57.978 62.157 -4.179 1
1 545 . 1 1 1 A 114 114 TYR CB C 114 39.149 38.705 0.444 1
1 546 . 1 1 1 A 114 114 TYR N N 114 120.749 120.184 0.565 1
1 547 . 1 1 1 A 115 115 SER H H 115 8.120 nan 8.120 1
1 547 . 1 1 1 A 115 115 SER H H 115 8.120 8.144 -0.024 1
1 548 . 1 1 1 A 115 115 SER C C 115 174.550 175.636 -1.086 1
1 549 . 1 1 1 A 115 115 SER CA C 115 58.233 63.067 -4.834 1
1 550 . 1 1 1 A 115 115 SER CB C 115 64.052 63.076 0.976 1
1 551 . 1 1 1 A 115 115 SER N N 115 117.260 115.978 1.282 1
1 552 . 1 1 1 A 116 116 PHE H H 116 8.140 nan 8.140 1
1 552 . 1 1 1 A 116 116 PHE H H 116 8.140 8.220 -0.080 1
1 553 . 1 1 1 A 116 116 PHE C C 116 176.075 176.932 -0.857 1
1 554 . 1 1 1 A 116 116 PHE CA C 116 58.271 61.488 -3.217 1
1 555 . 1 1 1 A 116 116 PHE CB C 116 39.957 38.777 1.180 1
1 556 . 1 1 1 A 116 116 PHE N N 116 122.802 121.934 0.868 1
1 557 . 1 1 1 A 117 117 PHE H H 117 8.141 nan 8.141 1
1 557 . 1 1 1 A 117 117 PHE H H 117 8.141 8.018 0.123 1
1 558 . 1 1 1 A 117 117 PHE C C 117 176.233 178.014 -1.781 1
1 559 . 1 1 1 A 117 117 PHE CA C 117 57.949 61.463 -3.514 1
1 560 . 1 1 1 A 117 117 PHE CB C 117 39.951 38.477 1.474 1
1 561 . 1 1 1 A 117 117 PHE N N 117 121.092 116.510 4.582 1
1 562 . 1 1 1 A 118 118 LYS H H 118 8.176 nan 8.176 1
1 562 . 1 1 1 A 118 118 LYS H H 118 8.176 8.381 -0.205 1
1 563 . 1 1 1 A 118 118 LYS C C 118 176.545 179.321 -2.776 1
1 564 . 1 1 1 A 118 118 LYS CA C 118 56.664 59.936 -3.272 1
1 565 . 1 1 1 A 118 118 LYS CB C 118 33.341 32.247 1.094 1
1 566 . 1 1 1 A 118 118 LYS N N 118 122.913 121.694 1.219 1
1 567 . 1 1 1 A 119 119 ASP H H 119 8.278 nan 8.278 1
1 567 . 1 1 1 A 119 119 ASP H H 119 8.278 8.324 -0.046 1
1 568 . 1 1 1 A 119 119 ASP C C 119 176.774 177.758 -0.984 1
1 569 . 1 1 1 A 119 119 ASP CA C 119 54.378 56.690 -2.312 1
1 570 . 1 1 1 A 119 119 ASP CB C 119 41.624 40.253 1.371 1
1 571 . 1 1 1 A 119 119 ASP N N 119 121.837 119.777 2.060 1
1 572 . 1 1 1 A 120 120 ARG H H 120 8.283 nan 8.283 1
1 572 . 1 1 1 A 120 120 ARG H H 120 8.283 7.644 0.639 1
1 573 . 1 1 1 A 120 120 ARG C C 120 177.300 176.563 0.737 1
1 574 . 1 1 1 A 120 120 ARG CA C 120 56.645 55.320 1.325 1
1 575 . 1 1 1 A 120 120 ARG CB C 120 30.947 29.925 1.022 1
1 576 . 1 1 1 A 120 120 ARG N N 120 121.858 117.069 4.789 1
1 577 . 1 1 1 A 121 121 GLY H H 121 8.432 nan 8.432 1
1 577 . 1 1 1 A 121 121 GLY H H 121 8.432 8.143 0.289 1
1 578 . 1 1 1 A 121 121 GLY C C 121 174.259 174.413 -0.154 1
1 579 . 1 1 1 A 121 121 GLY CA C 121 45.512 45.642 -0.130 1
1 580 . 1 1 1 A 121 121 GLY N N 121 109.868 107.430 2.438 1
1 581 . 1 1 1 A 122 122 ALA H H 122 8.083 nan 8.083 1
1 581 . 1 1 1 A 122 122 ALA H H 122 8.083 7.997 0.086 1
1 582 . 1 1 1 A 122 122 ALA C C 122 178.191 176.473 1.718 1
1 583 . 1 1 1 A 122 122 ALA CA C 122 52.540 52.515 0.025 1
1 584 . 1 1 1 A 122 122 ALA CB C 122 19.820 20.034 -0.214 1
1 585 . 1 1 1 A 122 122 ALA N N 122 124.084 123.658 0.426 1
1 586 . 1 1 1 A 123 123 LYS H H 123 8.287 nan 8.287 1
1 586 . 1 1 1 A 123 123 LYS H H 123 8.287 8.489 -0.202 1
1 587 . 1 1 1 A 123 123 LYS C C 123 176.935 175.343 1.592 1
1 588 . 1 1 1 A 123 123 LYS CA C 123 56.645 55.667 0.978 1
1 589 . 1 1 1 A 123 123 LYS CB C 123 33.137 33.441 -0.304 1
1 590 . 1 1 1 A 123 123 LYS N N 123 121.664 122.692 -1.028 1
1 591 . 1 1 1 A 124 124 ILE H H 124 8.172 nan 8.172 1
1 591 . 1 1 1 A 124 124 ILE H H 124 8.172 9.085 -0.913 1
1 592 . 1 1 1 A 124 124 ILE C C 124 177.750 175.626 2.124 1
1 593 . 1 1 1 A 124 124 ILE CA C 124 61.148 60.011 1.137 1
1 594 . 1 1 1 A 124 124 ILE CB C 124 38.750 39.494 -0.744 1
1 595 . 1 1 1 A 124 124 ILE N N 124 123.422 128.550 -5.128 1
1 596 . 1 1 1 A 125 125 VAL H H 125 8.150 nan 8.150 1
1 596 . 1 1 1 A 125 125 VAL H H 125 8.150 8.549 -0.399 1
1 597 . 1 1 1 A 125 125 VAL C C 125 176.915 175.598 1.317 1
1 598 . 1 1 1 A 125 125 VAL CA C 125 62.389 59.836 2.553 1
1 599 . 1 1 1 A 125 125 VAL CB C 125 33.085 35.250 -2.165 1
1 600 . 1 1 1 A 125 125 VAL N N 125 124.856 121.830 3.026 1
1 601 . 1 1 1 A 126 126 GLY H H 126 8.314 nan 8.314 1
1 601 . 1 1 1 A 126 126 GLY H H 126 8.314 8.616 -0.302 1
1 602 . 1 1 1 A 126 126 GLY C C 126 174.442 175.246 -0.804 1
1 603 . 1 1 1 A 126 126 GLY CA C 126 45.365 45.918 -0.553 1
1 604 . 1 1 1 A 126 126 GLY N N 126 113.116 113.972 -0.856 1
1 605 . 1 1 1 A 127 127 SER H H 127 8.124 nan 8.124 1
1 605 . 1 1 1 A 127 127 SER H H 127 8.124 8.163 -0.039 1
1 606 . 1 1 1 A 127 127 SER C C 127 174.914 174.042 0.872 1
1 607 . 1 1 1 A 127 127 SER CA C 127 58.379 58.814 -0.435 1
1 608 . 1 1 1 A 127 127 SER CB C 127 64.042 64.917 -0.875 1
1 609 . 1 1 1 A 127 127 SER N N 127 116.139 115.637 0.502 1
1 610 . 1 1 1 A 128 128 TRP H H 128 8.177 nan 8.177 1
1 610 . 1 1 1 A 128 128 TRP H H 128 8.177 8.612 -0.435 1
1 611 . 1 1 1 A 128 128 TRP C C 128 176.809 174.309 2.500 1
1 612 . 1 1 1 A 128 128 TRP CA C 128 57.640 56.165 1.475 1
1 613 . 1 1 1 A 128 128 TRP CB C 128 30.042 33.299 -3.257 1
1 614 . 1 1 1 A 128 128 TRP N N 128 123.291 125.665 -2.374 1
1 615 . 1 1 1 A 129 129 SER H H 129 8.136 nan 8.136 1
1 615 . 1 1 1 A 129 129 SER H H 129 8.136 8.620 -0.484 1
1 616 . 1 1 1 A 129 129 SER C C 129 175.301 176.974 -1.673 1
1 617 . 1 1 1 A 129 129 SER CA C 129 58.332 58.628 -0.296 1
1 618 . 1 1 1 A 129 129 SER CB C 129 64.200 63.311 0.889 1
1 619 . 1 1 1 A 129 129 SER N N 129 117.082 121.004 -3.922 1
1 620 . 1 1 1 A 130 130 THR H H 130 8.129 nan 8.129 1
1 620 . 1 1 1 A 130 130 THR H H 130 8.129 8.577 -0.448 1
1 621 . 1 1 1 A 130 130 THR C C 130 174.987 175.113 -0.126 1
1 622 . 1 1 1 A 130 130 THR CA C 130 61.892 62.948 -1.056 1
1 623 . 1 1 1 A 130 130 THR CB C 130 69.936 69.277 0.659 1
1 624 . 1 1 1 A 130 130 THR N N 130 115.332 117.674 -2.342 1
1 625 . 1 1 1 A 131 131 ASP H H 131 8.322 nan 8.322 1
1 625 . 1 1 1 A 131 131 ASP H H 131 8.322 7.532 0.790 1
1 626 . 1 1 1 A 131 131 ASP C C 131 177.042 177.490 -0.448 1
1 627 . 1 1 1 A 131 131 ASP CA C 131 54.598 56.207 -1.609 1
1 628 . 1 1 1 A 131 131 ASP CB C 131 41.696 40.203 1.493 1
1 629 . 1 1 1 A 131 131 ASP N N 131 122.338 124.710 -2.372 1
1 630 . 1 1 1 A 132 132 GLY H H 132 8.211 nan 8.211 1
1 630 . 1 1 1 A 132 132 GLY H H 132 8.211 8.742 -0.531 1
1 631 . 1 1 1 A 132 132 GLY C C 132 174.350 173.132 1.218 1
1 632 . 1 1 1 A 132 132 GLY CA C 132 45.596 45.254 0.342 1
1 633 . 1 1 1 A 132 132 GLY N N 132 109.195 110.990 -1.795 1
1 634 . 1 1 1 A 133 133 TYR H H 133 8.062 nan 8.062 1
1 634 . 1 1 1 A 133 133 TYR H H 133 8.062 7.807 0.255 1
1 635 . 1 1 1 A 133 133 TYR C C 133 176.540 174.989 1.551 1
1 636 . 1 1 1 A 133 133 TYR CA C 133 58.156 57.248 0.908 1
1 637 . 1 1 1 A 133 133 TYR CB C 133 39.218 42.566 -3.348 1
1 638 . 1 1 1 A 133 133 TYR N N 133 120.608 118.735 1.873 1
1 639 . 1 1 1 A 134 134 GLU H H 134 8.406 nan 8.406 1
1 639 . 1 1 1 A 134 134 GLU H H 134 8.406 8.667 -0.261 1
1 640 . 1 1 1 A 134 134 GLU C C 134 176.549 175.520 1.029 1
1 641 . 1 1 1 A 134 134 GLU CA C 134 56.829 55.710 1.119 1
1 642 . 1 1 1 A 134 134 GLU CB C 134 30.401 30.685 -0.284 1
1 643 . 1 1 1 A 134 134 GLU N N 134 122.828 122.657 0.171 1
1 644 . 1 1 1 A 135 135 PHE H H 135 8.040 nan 8.040 1
1 644 . 1 1 1 A 135 135 PHE H H 135 8.040 8.471 -0.431 1
1 645 . 1 1 1 A 135 135 PHE C C 135 176.356 174.056 2.300 1
1 646 . 1 1 1 A 135 135 PHE CA C 135 57.898 56.158 1.740 1
1 647 . 1 1 1 A 135 135 PHE CB C 135 39.733 40.418 -0.685 1
1 648 . 1 1 1 A 135 135 PHE N N 135 120.739 120.847 -0.108 1
1 649 . 1 1 1 A 136 136 GLU H H 136 8.364 nan 8.364 1
1 649 . 1 1 1 A 136 136 GLU H H 136 8.364 9.086 -0.722 1
1 650 . 1 1 1 A 136 136 GLU C C 136 176.826 176.715 0.111 1
1 651 . 1 1 1 A 136 136 GLU CA C 136 56.548 57.863 -1.315 1
1 652 . 1 1 1 A 136 136 GLU CB C 136 30.802 31.597 -0.795 1
1 653 . 1 1 1 A 136 136 GLU N N 136 122.554 119.358 3.196 1
1 654 . 1 1 1 A 137 137 SER H H 137 8.292 nan 8.292 1
1 654 . 1 1 1 A 137 137 SER H H 137 8.292 8.053 0.239 1
1 655 . 1 1 1 A 137 137 SER C C 137 175.305 173.139 2.166 1
1 656 . 1 1 1 A 137 137 SER CA C 137 58.389 57.601 0.788 1
1 657 . 1 1 1 A 137 137 SER CB C 137 64.175 66.303 -2.128 1
1 658 . 1 1 1 A 137 137 SER N N 137 117.100 112.073 5.027 1
1 659 . 1 1 1 A 138 138 SER H H 138 8.409 nan 8.409 1
1 659 . 1 1 1 A 138 138 SER H H 138 8.409 8.653 -0.244 1
1 660 . 1 1 1 A 138 138 SER C C 138 175.120 173.669 1.451 1
1 661 . 1 1 1 A 138 138 SER CA C 138 58.766 56.556 2.210 1
1 662 . 1 1 1 A 138 138 SER CB C 138 64.083 65.561 -1.478 1
1 663 . 1 1 1 A 138 138 SER N N 138 118.518 115.933 2.585 1
1 664 . 1 1 1 A 139 139 GLU H H 139 8.390 nan 8.390 1
1 664 . 1 1 1 A 139 139 GLU H H 139 8.390 8.628 -0.238 1
1 665 . 1 1 1 A 139 139 GLU C C 139 176.641 177.213 -0.572 1
1 666 . 1 1 1 A 139 139 GLU CA C 139 56.607 57.563 -0.956 1
1 667 . 1 1 1 A 139 139 GLU CB C 139 30.553 29.663 0.890 1
1 668 . 1 1 1 A 139 139 GLU N N 139 122.736 127.524 -4.788 1
1 669 . 1 1 1 A 140 140 ALA H H 140 8.190 nan 8.190 1
1 669 . 1 1 1 A 140 140 ALA H H 140 8.190 7.772 0.418 1
1 670 . 1 1 1 A 140 140 ALA C C 140 178.035 176.613 1.422 1
1 671 . 1 1 1 A 140 140 ALA CA C 140 52.692 51.899 0.793 1
1 672 . 1 1 1 A 140 140 ALA CB C 140 19.697 19.623 0.074 1
1 673 . 1 1 1 A 140 140 ALA N N 140 124.819 121.803 3.016 1
1 674 . 1 1 1 A 141 141 VAL H H 141 8.000 nan 8.000 1
1 674 . 1 1 1 A 141 141 VAL H H 141 8.000 7.682 0.318 1
1 675 . 1 1 1 A 141 141 VAL C C 141 176.715 175.006 1.709 1
1 676 . 1 1 1 A 141 141 VAL CA C 141 62.404 61.713 0.691 1
1 677 . 1 1 1 A 141 141 VAL CB C 141 32.929 33.089 -0.160 1
1 678 . 1 1 1 A 141 141 VAL N N 141 119.985 119.484 0.501 1
1 679 . 1 1 1 A 142 142 VAL H H 142 8.119 nan 8.119 1
1 679 . 1 1 1 A 142 142 VAL H H 142 8.119 8.833 -0.714 1
1 680 . 1 1 1 A 142 142 VAL C C 142 176.233 175.744 0.489 1
1 681 . 1 1 1 A 142 142 VAL CA C 142 62.262 61.135 1.127 1
1 682 . 1 1 1 A 142 142 VAL CB C 142 33.072 34.143 -1.071 1
1 683 . 1 1 1 A 142 142 VAL N N 142 123.620 127.075 -3.455 1
1 684 . 1 1 1 A 143 143 ASP H H 143 8.389 nan 8.389 1
1 684 . 1 1 1 A 143 143 ASP H H 143 8.389 9.506 -1.117 1
1 685 . 1 1 1 A 143 143 ASP C C 143 177.019 176.289 0.730 1
1 686 . 1 1 1 A 143 143 ASP CA C 143 54.481 55.476 -0.995 1
1 687 . 1 1 1 A 143 143 ASP CB C 143 41.739 39.689 2.050 1
1 688 . 1 1 1 A 143 143 ASP N N 143 124.569 129.588 -5.019 1
1 689 . 1 1 1 A 144 144 GLY H H 144 8.250 nan 8.250 1
1 689 . 1 1 1 A 144 144 GLY H H 144 8.250 8.646 -0.396 1
1 690 . 1 1 1 A 144 144 GLY C C 144 174.435 173.564 0.871 1
1 691 . 1 1 1 A 144 144 GLY CA C 144 45.651 46.209 -0.558 1
1 692 . 1 1 1 A 144 144 GLY N N 144 109.435 103.682 5.753 1
1 693 . 1 1 1 A 145 145 LYS H H 145 8.105 nan 8.105 1
1 693 . 1 1 1 A 145 145 LYS H H 145 8.105 7.629 0.476 1
1 694 . 1 1 1 A 145 145 LYS C C 145 176.801 174.387 2.414 1
1 695 . 1 1 1 A 145 145 LYS CA C 145 56.826 55.071 1.755 1
1 696 . 1 1 1 A 145 145 LYS CB C 145 33.429 35.917 -2.488 1
1 697 . 1 1 1 A 145 145 LYS N N 145 121.362 118.437 2.925 1
1 698 . 1 1 1 A 146 146 PHE H H 146 8.305 nan 8.305 1
1 698 . 1 1 1 A 146 146 PHE H H 146 8.305 8.613 -0.308 1
1 699 . 1 1 1 A 146 146 PHE C C 146 176.287 177.272 -0.985 1
1 700 . 1 1 1 A 146 146 PHE CA C 146 57.699 58.671 -0.972 1
1 701 . 1 1 1 A 146 146 PHE CB C 146 39.667 39.441 0.226 1
1 702 . 1 1 1 A 146 146 PHE N N 146 121.495 124.954 -3.459 1
1 703 . 1 1 1 A 147 147 VAL H H 147 7.984 nan 7.984 1
1 703 . 1 1 1 A 147 147 VAL H H 147 7.984 8.507 -0.523 1
1 704 . 1 1 1 A 147 147 VAL C C 147 176.758 175.858 0.900 1
1 705 . 1 1 1 A 147 147 VAL CA C 147 62.393 64.056 -1.663 1
1 706 . 1 1 1 A 147 147 VAL CB C 147 33.093 31.670 1.423 1
1 707 . 1 1 1 A 147 147 VAL N N 147 122.076 119.918 2.158 1
1 708 . 1 1 1 A 148 148 GLY H H 148 8.065 nan 8.065 1
1 708 . 1 1 1 A 148 148 GLY H H 148 8.065 7.720 0.345 1
1 709 . 1 1 1 A 148 148 GLY C C 148 174.269 172.557 1.712 1
1 710 . 1 1 1 A 148 148 GLY CA C 148 45.548 45.029 0.519 1
1 711 . 1 1 1 A 148 148 GLY N N 148 112.426 109.776 2.650 1
1 712 . 1 1 1 A 149 149 LEU H H 149 8.083 nan 8.083 1
1 712 . 1 1 1 A 149 149 LEU H H 149 8.083 8.143 -0.060 1
1 713 . 1 1 1 A 149 149 LEU C C 149 177.678 175.394 2.284 1
1 714 . 1 1 1 A 149 149 LEU CA C 149 55.318 55.381 -0.063 1
1 715 . 1 1 1 A 149 149 LEU CB C 149 42.800 41.080 1.720 1
1 716 . 1 1 1 A 149 149 LEU N N 149 122.428 121.580 0.848 1
1 717 . 1 1 1 A 150 150 ALA H H 150 8.352 nan 8.352 1
1 717 . 1 1 1 A 150 150 ALA H H 150 8.352 8.591 -0.239 1
1 718 . 1 1 1 A 150 150 ALA C C 150 178.069 176.198 1.871 1
1 719 . 1 1 1 A 150 150 ALA CA C 150 52.607 49.850 2.757 1
1 720 . 1 1 1 A 150 150 ALA CB C 150 19.379 19.769 -0.390 1
1 721 . 1 1 1 A 150 150 ALA N N 150 125.479 128.407 -2.928 1
1 722 . 1 1 1 A 151 151 LEU H H 151 8.134 nan 8.134 1
1 722 . 1 1 1 A 151 151 LEU H H 151 8.134 9.152 -1.018 1
1 723 . 1 1 1 A 151 151 LEU C C 151 177.608 175.840 1.768 1
1 724 . 1 1 1 A 151 151 LEU CA C 151 55.497 53.633 1.864 1
1 725 . 1 1 1 A 151 151 LEU CB C 151 42.683 46.285 -3.602 1
1 726 . 1 1 1 A 151 151 LEU N N 151 121.826 123.632 -1.806 1
1 727 . 1 1 1 A 152 152 ASP H H 152 8.389 nan 8.389 1
1 727 . 1 1 1 A 152 152 ASP H H 152 8.389 8.604 -0.215 1
1 728 . 1 1 1 A 152 152 ASP C C 152 176.735 175.744 0.991 1
1 729 . 1 1 1 A 152 152 ASP CA C 152 54.242 54.059 0.183 1
1 730 . 1 1 1 A 152 152 ASP CB C 152 41.224 42.054 -0.830 1
1 731 . 1 1 1 A 152 152 ASP N N 152 121.221 120.824 0.397 1
1 732 . 1 1 1 A 153 153 LEU H H 153 8.047 nan 8.047 1
1 732 . 1 1 1 A 153 153 LEU H H 153 8.047 8.757 -0.710 1
1 733 . 1 1 1 A 153 153 LEU C C 153 177.784 177.554 0.230 1
1 734 . 1 1 1 A 153 153 LEU CA C 153 55.481 55.057 0.424 1
1 735 . 1 1 1 A 153 153 LEU CB C 153 42.523 41.710 0.813 1
1 736 . 1 1 1 A 153 153 LEU N N 153 122.315 126.037 -3.722 1
1 737 . 1 1 1 A 154 154 ASP H H 154 8.354 nan 8.354 1
1 737 . 1 1 1 A 154 154 ASP H H 154 8.354 8.087 0.267 1
1 738 . 1 1 1 A 154 154 ASP C C 154 176.663 177.741 -1.078 1
1 739 . 1 1 1 A 154 154 ASP CA C 154 54.515 56.262 -1.747 1
1 740 . 1 1 1 A 154 154 ASP CB C 154 41.518 41.790 -0.272 1
1 741 . 1 1 1 A 154 154 ASP N N 154 120.712 119.472 1.240 1
1 742 . 1 1 1 A 155 155 ASN H H 155 8.290 nan 8.290 1
1 742 . 1 1 1 A 155 155 ASN H H 155 8.290 8.153 0.137 1
1 743 . 1 1 1 A 155 155 ASN C C 155 175.991 175.494 0.497 1
1 744 . 1 1 1 A 155 155 ASN CA C 155 53.465 53.447 0.018 1
1 745 . 1 1 1 A 155 155 ASN CB C 155 39.230 40.048 -0.818 1
1 746 . 1 1 1 A 155 155 ASN N N 155 119.334 113.131 6.203 1
1 747 . 1 1 1 A 156 156 GLN H H 156 8.388 nan 8.388 1
1 747 . 1 1 1 A 156 156 GLN H H 156 8.388 7.736 0.652 1
1 748 . 1 1 1 A 156 156 GLN C C 156 176.698 175.512 1.186 1
1 749 . 1 1 1 A 156 156 GLN CA C 156 56.275 54.864 1.411 1
1 750 . 1 1 1 A 156 156 GLN CB C 156 29.603 29.547 0.056 1
1 751 . 1 1 1 A 156 156 GLN N N 156 120.613 118.660 1.953 1
1 752 . 1 1 1 A 157 157 SER H H 157 8.308 nan 8.308 1
1 752 . 1 1 1 A 157 157 SER H H 157 8.308 8.224 0.084 1
1 753 . 1 1 1 A 157 157 SER C C 157 175.586 176.464 -0.878 1
1 754 . 1 1 1 A 157 157 SER CA C 157 58.678 61.074 -2.396 1
1 755 . 1 1 1 A 157 157 SER CB C 157 64.083 62.978 1.105 1
1 756 . 1 1 1 A 157 157 SER N N 157 116.788 115.209 1.579 1
1 757 . 1 1 1 A 158 158 GLY H H 158 8.429 nan 8.429 1
1 757 . 1 1 1 A 158 158 GLY H H 158 8.429 8.450 -0.021 1
1 758 . 1 1 1 A 158 158 GLY C C 158 174.571 174.854 -0.283 1
1 759 . 1 1 1 A 158 158 GLY CA C 158 45.614 46.608 -0.994 1
1 760 . 1 1 1 A 158 158 GLY N N 158 111.444 110.332 1.112 1
1 761 . 1 1 1 A 159 159 LYS H H 159 8.188 nan 8.188 1
1 761 . 1 1 1 A 159 159 LYS H H 159 8.188 7.958 0.230 1
1 762 . 1 1 1 A 159 159 LYS C C 159 177.498 176.970 0.528 1
1 763 . 1 1 1 A 159 159 LYS CA C 159 56.657 56.021 0.636 1
1 764 . 1 1 1 A 159 159 LYS CB C 159 33.515 32.893 0.622 1
1 765 . 1 1 1 A 159 159 LYS N N 159 121.393 118.948 2.445 1
1 766 . 1 1 1 A 160 160 THR H H 160 8.183 nan 8.183 1
1 766 . 1 1 1 A 160 160 THR H H 160 8.183 7.682 0.501 1
1 767 . 1 1 1 A 160 160 THR C C 160 174.823 176.084 -1.261 1
1 768 . 1 1 1 A 160 160 THR CA C 160 61.836 67.387 -5.551 1
1 769 . 1 1 1 A 160 160 THR CB C 160 70.137 68.503 1.634 1
1 770 . 1 1 1 A 160 160 THR N N 160 115.195 115.519 -0.324 1
1 771 . 1 1 1 A 161 161 ASP H H 161 8.421 nan 8.421 1
1 771 . 1 1 1 A 161 161 ASP H H 161 8.421 8.410 0.011 1
1 772 . 1 1 1 A 161 161 ASP C C 161 176.652 178.768 -2.116 1
1 773 . 1 1 1 A 161 161 ASP CA C 161 54.437 57.438 -3.001 1
1 774 . 1 1 1 A 161 161 ASP CB C 161 41.602 39.925 1.677 1
1 775 . 1 1 1 A 161 161 ASP N N 161 123.314 119.785 3.529 1
1 776 . 1 1 1 A 162 162 GLU H H 162 8.356 nan 8.356 1
1 776 . 1 1 1 A 162 162 GLU H H 162 8.356 8.357 -0.001 1
1 777 . 1 1 1 A 162 162 GLU C C 162 177.017 179.185 -2.168 1
1 778 . 1 1 1 A 162 162 GLU CA C 162 56.749 59.749 -3.000 1
1 779 . 1 1 1 A 162 162 GLU CB C 162 30.589 29.234 1.355 1
1 780 . 1 1 1 A 162 162 GLU N N 162 121.714 120.588 1.126 1
1 781 . 1 1 1 A 163 163 ARG H H 163 8.365 nan 8.365 1
1 781 . 1 1 1 A 163 163 ARG H H 163 8.365 7.870 0.495 1
1 782 . 1 1 1 A 163 163 ARG C C 163 177.022 178.275 -1.253 1
1 783 . 1 1 1 A 163 163 ARG CA C 163 56.548 59.532 -2.984 1
1 784 . 1 1 1 A 163 163 ARG CB C 163 30.802 30.640 0.162 1
1 785 . 1 1 1 A 163 163 ARG N N 163 122.467 119.495 2.972 1
1 786 . 1 1 1 A 164 164 VAL H H 164 8.037 nan 8.037 1
1 786 . 1 1 1 A 164 164 VAL H H 164 8.037 8.316 -0.279 1
1 787 . 1 1 1 A 164 164 VAL C C 164 176.392 178.267 -1.875 1
1 788 . 1 1 1 A 164 164 VAL CA C 164 62.300 66.405 -4.105 1
1 789 . 1 1 1 A 164 164 VAL CB C 164 33.020 31.430 1.590 1
1 790 . 1 1 1 A 164 164 VAL N N 164 121.330 119.701 1.629 1
1 791 . 1 1 1 A 165 165 ALA H H 165 8.223 nan 8.223 1
1 791 . 1 1 1 A 165 165 ALA H H 165 8.223 8.735 -0.512 1
1 792 . 1 1 1 A 165 165 ALA C C 165 178.211 179.386 -1.175 1
1 793 . 1 1 1 A 165 165 ALA CA C 165 52.629 55.419 -2.790 1
1 794 . 1 1 1 A 165 165 ALA CB C 165 19.290 18.181 1.109 1
1 795 . 1 1 1 A 165 165 ALA N N 165 127.636 122.215 5.421 1
1 796 . 1 1 1 A 166 166 ALA H H 166 8.214 nan 8.214 1
1 796 . 1 1 1 A 166 166 ALA H H 166 8.214 8.113 0.101 1
1 797 . 1 1 1 A 166 166 ALA C C 166 178.357 179.970 -1.613 1
1 798 . 1 1 1 A 166 166 ALA CA C 166 53.430 55.531 -2.101 1
1 799 . 1 1 1 A 166 166 ALA CB C 166 19.398 18.554 0.844 1
1 800 . 1 1 1 A 166 166 ALA N N 166 123.776 119.644 4.132 1
1 801 . 1 1 1 A 167 167 TRP H H 167 7.867 nan 7.867 1
1 801 . 1 1 1 A 167 167 TRP H H 167 7.867 7.821 0.046 1
1 802 . 1 1 1 A 167 167 TRP C C 167 176.834 178.324 -1.490 1
1 803 . 1 1 1 A 167 167 TRP CA C 167 57.718 61.626 -3.908 1
1 804 . 1 1 1 A 167 167 TRP CB C 167 29.433 29.559 -0.126 1
1 805 . 1 1 1 A 167 167 TRP N N 167 119.007 120.765 -1.758 1
1 806 . 1 1 1 A 168 168 LEU H H 168 7.756 nan 7.756 1
1 806 . 1 1 1 A 168 168 LEU H H 168 7.756 8.238 -0.482 1
1 807 . 1 1 1 A 168 168 LEU C C 168 177.459 179.084 -1.625 1
1 808 . 1 1 1 A 168 168 LEU CA C 168 55.140 57.610 -2.470 1
1 809 . 1 1 1 A 168 168 LEU CB C 168 42.566 41.631 0.935 1
1 810 . 1 1 1 A 168 168 LEU N N 168 123.186 120.285 2.901 1
1 811 . 1 1 1 A 169 169 ALA H H 169 7.957 nan 7.957 1
1 811 . 1 1 1 A 169 169 ALA H H 169 7.957 8.417 -0.460 1
1 812 . 1 1 1 A 169 169 ALA C C 169 178.230 179.312 -1.082 1
1 813 . 1 1 1 A 169 169 ALA CA C 169 52.793 55.203 -2.410 1
1 814 . 1 1 1 A 169 169 ALA CB C 169 19.643 18.222 1.421 1
1 815 . 1 1 1 A 169 169 ALA N N 169 124.170 121.880 2.290 1
1 816 . 1 1 1 A 170 170 GLN H H 170 8.194 nan 8.194 1
1 816 . 1 1 1 A 170 170 GLN H H 170 8.194 8.106 0.088 1
1 817 . 1 1 1 A 170 170 GLN C C 170 176.386 178.242 -1.856 1
1 818 . 1 1 1 A 170 170 GLN CA C 170 56.117 58.796 -2.679 1
1 819 . 1 1 1 A 170 170 GLN CB C 170 29.736 28.346 1.390 1
1 820 . 1 1 1 A 170 170 GLN N N 170 119.598 118.127 1.471 1
1 821 . 1 1 1 A 171 171 ILE H H 171 7.962 nan 7.962 1
1 821 . 1 1 1 A 171 171 ILE H H 171 7.962 7.668 0.294 1
1 822 . 1 1 1 A 171 171 ILE C C 171 176.051 177.855 -1.804 1
1 823 . 1 1 1 A 171 171 ILE CA C 171 61.007 62.536 -1.529 1
1 824 . 1 1 1 A 171 171 ILE CB C 171 39.135 37.555 1.580 1
1 825 . 1 1 1 A 171 171 ILE N N 171 121.364 117.655 3.709 1
1 826 . 1 1 1 A 172 172 ALA H H 172 8.277 nan 8.277 1
1 826 . 1 1 1 A 172 172 ALA H H 172 8.277 8.002 0.275 1
1 827 . 1 1 1 A 172 172 ALA C C 172 175.891 176.122 -0.231 1
1 828 . 1 1 1 A 172 172 ALA CA C 172 50.815 57.239 -6.424 1
1 829 . 1 1 1 A 172 172 ALA CB C 172 18.592 16.693 1.899 1
1 830 . 1 1 1 A 172 172 ALA N N 172 128.942 126.184 2.758 1
1 831 . 1 1 1 A 173 173 PRO C C 173 177.354 178.771 -1.417 1
1 832 . 1 1 1 A 173 173 PRO CA C 173 63.302 66.523 -3.221 1
1 833 . 1 1 1 A 173 173 PRO CB C 173 32.282 30.903 1.379 1
1 834 . 1 1 1 A 174 174 GLU H H 174 8.482 nan 8.482 1
1 834 . 1 1 1 A 174 174 GLU H H 174 8.482 9.091 -0.609 1
1 835 . 1 1 1 A 174 174 GLU C C 174 176.716 177.547 -0.831 1
1 836 . 1 1 1 A 174 174 GLU CA C 174 57.012 58.702 -1.690 1
1 837 . 1 1 1 A 174 174 GLU CB C 174 30.331 29.168 1.163 1
1 838 . 1 1 1 A 174 174 GLU N N 174 121.201 117.365 3.836 1
1 839 . 1 1 1 A 175 175 PHE H H 175 8.105 nan 8.105 1
1 839 . 1 1 1 A 175 175 PHE H H 175 8.105 7.582 0.523 1
1 840 . 1 1 1 A 175 175 PHE C C 175 176.821 175.160 1.661 1
1 841 . 1 1 1 A 175 175 PHE CA C 175 57.810 57.597 0.213 1
1 842 . 1 1 1 A 175 175 PHE CB C 175 40.047 39.161 0.886 1
1 843 . 1 1 1 A 175 175 PHE N N 175 120.256 116.651 3.605 1
1 844 . 1 1 1 A 176 176 GLY H H 176 8.340 nan 8.340 1
1 844 . 1 1 1 A 176 176 GLY H H 176 8.340 8.037 0.303 1
1 845 . 1 1 1 A 176 176 GLY C C 176 174.372 174.774 -0.402 1
1 846 . 1 1 1 A 176 176 GLY CA C 176 45.631 46.529 -0.898 1
1 847 . 1 1 1 A 176 176 GLY N N 176 110.592 109.457 1.135 1
1 848 . 1 1 1 A 177 177 LEU H H 177 8.063 nan 8.063 1
1 848 . 1 1 1 A 177 177 LEU H H 177 8.063 8.003 0.060 1
1 849 . 1 1 1 A 177 177 LEU C C 177 177.927 177.807 0.120 1
1 850 . 1 1 1 A 177 177 LEU CA C 177 55.326 54.292 1.034 1
1 851 . 1 1 1 A 177 177 LEU CB C 177 42.853 42.532 0.321 1
1 852 . 1 1 1 A 177 177 LEU N N 177 122.038 121.423 0.615 1
1 853 . 1 1 1 A 178 178 SER H H 178 8.338 nan 8.338 1
1 853 . 1 1 1 A 178 178 SER H H 178 8.338 8.780 -0.442 1
1 854 . 1 1 1 A 178 178 SER C C 178 174.483 175.795 -1.312 1
1 855 . 1 1 1 A 178 178 SER CA C 178 58.310 59.411 -1.101 1
1 856 . 1 1 1 A 178 178 SER CB C 178 64.029 63.678 0.351 1
1 857 . 1 1 1 A 178 178 SER N N 178 117.847 115.815 2.032 1
2 1 . 1 1 1 A 2 2 LYS C C 2 176.290 176.133 0.157 1
2 2 . 1 1 1 A 2 2 LYS CA C 2 56.469 57.528 -1.059 1
2 3 . 1 1 1 A 2 2 LYS CB C 2 33.253 33.585 -0.332 1
2 4 . 1 1 1 A 3 3 ILE H H 3 8.188 nan 8.188 1
2 4 . 1 1 1 A 3 3 ILE H H 3 8.188 7.959 0.229 1
2 5 . 1 1 1 A 3 3 ILE C C 3 176.471 175.374 1.097 1
2 6 . 1 1 1 A 3 3 ILE CA C 3 61.354 59.426 1.928 1
2 7 . 1 1 1 A 3 3 ILE CB C 3 39.003 38.774 0.229 1
2 8 . 1 1 1 A 3 3 ILE N N 3 122.446 119.949 2.497 1
2 9 . 1 1 1 A 4 4 GLY H H 4 8.386 nan 8.386 1
2 9 . 1 1 1 A 4 4 GLY H H 4 8.386 9.109 -0.723 1
2 10 . 1 1 1 A 4 4 GLY C C 4 173.691 171.532 2.159 1
2 11 . 1 1 1 A 4 4 GLY CA C 4 45.416 44.381 1.035 1
2 12 . 1 1 1 A 4 4 GLY N N 4 113.145 115.347 -2.202 1
2 13 . 1 1 1 A 5 5 LEU H H 5 7.967 nan 7.967 1
2 13 . 1 1 1 A 5 5 LEU H H 5 7.967 8.892 -0.925 1
2 14 . 1 1 1 A 5 5 LEU C C 5 176.787 174.305 2.482 1
2 15 . 1 1 1 A 5 5 LEU CA C 5 55.329 53.069 2.260 1
2 16 . 1 1 1 A 5 5 LEU CB C 5 42.614 44.120 -1.506 1
2 17 . 1 1 1 A 5 5 LEU N N 5 122.122 125.710 -3.588 1
2 18 . 1 1 1 A 6 6 PHE H H 6 8.135 nan 8.135 1
2 18 . 1 1 1 A 6 6 PHE H H 6 8.135 8.951 -0.816 1
2 19 . 1 1 1 A 6 6 PHE C C 6 175.403 174.809 0.594 1
2 20 . 1 1 1 A 6 6 PHE CA C 6 57.605 56.373 1.232 1
2 21 . 1 1 1 A 6 6 PHE CB C 6 39.863 43.749 -3.886 1
2 22 . 1 1 1 A 6 6 PHE N N 6 120.403 125.952 -5.549 1
2 23 . 1 1 1 A 7 7 PHE H H 7 8.199 nan 8.199 1
2 23 . 1 1 1 A 7 7 PHE H H 7 8.199 9.186 -0.987 1
2 24 . 1 1 1 A 7 7 PHE C C 7 176.036 173.116 2.920 1
2 25 . 1 1 1 A 7 7 PHE CA C 7 57.909 55.830 2.079 1
2 26 . 1 1 1 A 7 7 PHE CB C 7 39.870 42.106 -2.236 1
2 27 . 1 1 1 A 7 7 PHE N N 7 122.138 117.850 4.288 1
2 28 . 1 1 1 A 8 8 GLY H H 8 8.017 nan 8.017 1
2 28 . 1 1 1 A 8 8 GLY H H 8 8.017 8.377 -0.360 1
2 29 . 1 1 1 A 8 8 GLY C C 8 174.016 172.485 1.531 1
2 30 . 1 1 1 A 8 8 GLY CA C 8 45.518 44.461 1.057 1
2 31 . 1 1 1 A 8 8 GLY N N 8 110.350 106.885 3.465 1
2 32 . 1 1 1 A 9 9 SER H H 9 8.226 nan 8.226 1
2 32 . 1 1 1 A 9 9 SER H H 9 8.226 8.788 -0.562 1
2 33 . 1 1 1 A 9 9 SER C C 9 174.536 173.769 0.767 1
2 34 . 1 1 1 A 9 9 SER CA C 9 58.469 57.167 1.302 1
2 35 . 1 1 1 A 9 9 SER CB C 9 64.128 64.786 -0.658 1
2 36 . 1 1 1 A 9 9 SER N N 9 115.914 117.012 -1.098 1
2 37 . 1 1 1 A 10 10 ASN H H 10 8.624 nan 8.624 1
2 37 . 1 1 1 A 10 10 ASN H H 10 8.624 8.835 -0.211 1
2 38 . 1 1 1 A 10 10 ASN C C 10 175.481 176.188 -0.707 1
2 39 . 1 1 1 A 10 10 ASN CA C 10 53.520 54.189 -0.669 1
2 40 . 1 1 1 A 10 10 ASN CB C 10 38.950 40.728 -1.778 1
2 41 . 1 1 1 A 10 10 ASN N N 10 121.222 123.060 -1.838 1
2 42 . 1 1 1 A 11 11 THR H H 11 8.078 nan 8.078 1
2 42 . 1 1 1 A 11 11 THR H H 11 8.078 7.951 0.127 1
2 43 . 1 1 1 A 11 11 THR C C 11 175.162 175.078 0.084 1
2 44 . 1 1 1 A 11 11 THR CA C 11 62.068 61.088 0.980 1
2 45 . 1 1 1 A 11 11 THR CB C 11 70.021 69.254 0.767 1
2 46 . 1 1 1 A 11 11 THR N N 11 113.362 108.712 4.650 1
2 47 . 1 1 1 A 12 12 GLY H H 12 8.396 nan 8.396 1
2 47 . 1 1 1 A 12 12 GLY H H 12 8.396 7.885 0.511 1
2 48 . 1 1 1 A 12 12 GLY C C 12 174.083 175.525 -1.442 1
2 49 . 1 1 1 A 12 12 GLY CA C 12 45.511 45.381 0.130 1
2 50 . 1 1 1 A 12 12 GLY N N 12 111.383 110.207 1.176 1
2 51 . 1 1 1 A 13 13 LYS H H 13 8.159 nan 8.159 1
2 51 . 1 1 1 A 13 13 LYS H H 13 8.159 8.310 -0.151 1
2 52 . 1 1 1 A 13 13 LYS C C 13 176.899 178.827 -1.928 1
2 53 . 1 1 1 A 13 13 LYS CA C 13 56.589 59.615 -3.026 1
2 54 . 1 1 1 A 13 13 LYS CB C 13 33.123 31.349 1.774 1
2 55 . 1 1 1 A 13 13 LYS N N 13 121.176 121.724 -0.548 1
2 56 . 1 1 1 A 14 14 THR H H 14 8.163 nan 8.163 1
2 56 . 1 1 1 A 14 14 THR H H 14 8.163 8.195 -0.032 1
2 57 . 1 1 1 A 14 14 THR C C 14 174.478 176.246 -1.768 1
2 58 . 1 1 1 A 14 14 THR CA C 14 61.992 67.163 -5.171 1
2 59 . 1 1 1 A 14 14 THR CB C 14 70.058 68.746 1.312 1
2 60 . 1 1 1 A 14 14 THR N N 14 115.600 116.478 -0.878 1
2 61 . 1 1 1 A 15 15 ARG H H 15 8.352 nan 8.352 1
2 61 . 1 1 1 A 15 15 ARG H H 15 8.352 8.038 0.314 1
2 62 . 1 1 1 A 15 15 ARG C C 15 176.095 178.214 -2.119 1
2 63 . 1 1 1 A 15 15 ARG CA C 15 56.208 59.330 -3.122 1
2 64 . 1 1 1 A 15 15 ARG CB C 15 31.189 29.404 1.785 1
2 65 . 1 1 1 A 15 15 ARG N N 15 124.176 119.768 4.408 1
2 66 . 1 1 1 A 16 16 LYS H H 16 8.373 nan 8.373 1
2 66 . 1 1 1 A 16 16 LYS H H 16 8.373 7.750 0.623 1
2 67 . 1 1 1 A 16 16 LYS C C 16 176.475 178.589 -2.114 1
2 68 . 1 1 1 A 16 16 LYS CA C 16 56.415 59.153 -2.738 1
2 69 . 1 1 1 A 16 16 LYS CB C 16 33.249 32.669 0.580 1
2 70 . 1 1 1 A 16 16 LYS N N 16 123.840 119.415 4.425 1
2 71 . 1 1 1 A 17 17 VAL H H 17 8.120 nan 8.120 1
2 71 . 1 1 1 A 17 17 VAL H H 17 8.120 8.056 0.064 1
2 72 . 1 1 1 A 17 17 VAL C C 17 175.764 177.947 -2.183 1
2 73 . 1 1 1 A 17 17 VAL CA C 17 62.088 66.127 -4.039 1
2 74 . 1 1 1 A 17 17 VAL CB C 17 33.110 31.553 1.557 1
2 75 . 1 1 1 A 17 17 VAL N N 17 121.811 119.222 2.589 1
2 76 . 1 1 1 A 18 18 ALA H H 18 8.348 nan 8.348 1
2 76 . 1 1 1 A 18 18 ALA H H 18 8.348 8.161 0.187 1
2 77 . 1 1 1 A 18 18 ALA C C 18 177.578 180.003 -2.425 1
2 78 . 1 1 1 A 18 18 ALA CA C 18 52.541 55.727 -3.186 1
2 79 . 1 1 1 A 18 18 ALA CB C 18 19.623 18.184 1.439 1
2 80 . 1 1 1 A 18 18 ALA N N 18 128.384 122.162 6.222 1
2 81 . 1 1 1 A 19 19 LYS H H 19 8.288 nan 8.288 1
2 81 . 1 1 1 A 19 19 LYS H H 19 8.288 8.236 0.052 1
2 82 . 1 1 1 A 19 19 LYS C C 19 176.619 178.909 -2.290 1
2 83 . 1 1 1 A 19 19 LYS CA C 19 56.674 59.077 -2.403 1
2 84 . 1 1 1 A 19 19 LYS CB C 19 33.380 31.989 1.391 1
2 85 . 1 1 1 A 19 19 LYS N N 19 121.450 117.134 4.316 1
2 86 . 1 1 1 A 20 20 SER H H 20 8.296 nan 8.296 1
2 86 . 1 1 1 A 20 20 SER H H 20 8.296 7.796 0.500 1
2 87 . 1 1 1 A 20 20 SER C C 20 174.465 177.277 -2.812 1
2 88 . 1 1 1 A 20 20 SER CA C 20 58.193 61.299 -3.106 1
2 89 . 1 1 1 A 20 20 SER CB C 20 63.939 62.668 1.271 1
2 90 . 1 1 1 A 20 20 SER N N 20 117.253 114.691 2.562 1
2 91 . 1 1 1 A 21 21 ILE H H 21 8.142 nan 8.142 1
2 91 . 1 1 1 A 21 21 ILE H H 21 8.142 7.897 0.245 1
2 92 . 1 1 1 A 21 21 ILE C C 21 176.142 177.991 -1.849 1
2 93 . 1 1 1 A 21 21 ILE CA C 21 61.221 65.242 -4.021 1
2 94 . 1 1 1 A 21 21 ILE CB C 21 38.877 37.899 0.978 1
2 95 . 1 1 1 A 21 21 ILE N N 21 122.933 121.873 1.060 1
2 96 . 1 1 1 A 22 22 LYS H H 22 8.278 nan 8.278 1
2 96 . 1 1 1 A 22 22 LYS H H 22 8.278 8.172 0.106 1
2 97 . 1 1 1 A 22 22 LYS C C 22 176.379 178.430 -2.051 1
2 98 . 1 1 1 A 22 22 LYS CA C 22 56.443 58.743 -2.300 1
2 99 . 1 1 1 A 22 22 LYS CB C 22 33.242 32.227 1.015 1
2 100 . 1 1 1 A 22 22 LYS N N 22 125.669 120.663 5.006 1
2 101 . 1 1 1 A 23 23 LYS H H 23 8.276 nan 8.276 1
2 101 . 1 1 1 A 23 23 LYS H H 23 8.276 7.810 0.466 1
2 102 . 1 1 1 A 23 23 LYS C C 23 176.271 177.845 -1.574 1
2 103 . 1 1 1 A 23 23 LYS CA C 23 56.465 58.467 -2.002 1
2 104 . 1 1 1 A 23 23 LYS CB C 23 33.264 31.957 1.307 1
2 105 . 1 1 1 A 23 23 LYS N N 23 123.546 118.705 4.841 1
2 106 . 1 1 1 A 24 24 ARG H H 24 8.264 nan 8.264 1
2 106 . 1 1 1 A 24 24 ARG H H 24 8.264 7.896 0.368 1
2 107 . 1 1 1 A 24 24 ARG C C 24 176.035 175.003 1.032 1
2 108 . 1 1 1 A 24 24 ARG CA C 24 56.326 55.543 0.783 1
2 109 . 1 1 1 A 24 24 ARG CB C 24 31.302 30.268 1.034 1
2 110 . 1 1 1 A 24 24 ARG N N 24 122.579 115.070 7.509 1
2 111 . 1 1 1 A 25 25 PHE H H 25 8.302 nan 8.302 1
2 111 . 1 1 1 A 25 25 PHE H H 25 8.302 7.470 0.832 1
2 112 . 1 1 1 A 25 25 PHE C C 25 175.517 174.974 0.543 1
2 113 . 1 1 1 A 25 25 PHE CA C 25 57.761 56.587 1.174 1
2 114 . 1 1 1 A 25 25 PHE CB C 25 39.722 43.313 -3.591 1
2 115 . 1 1 1 A 25 25 PHE N N 25 121.178 119.196 1.982 1
2 116 . 1 1 1 A 26 26 ASP H H 26 8.364 nan 8.364 1
2 116 . 1 1 1 A 26 26 ASP H H 26 8.364 8.627 -0.263 1
2 117 . 1 1 1 A 26 26 ASP C C 26 175.761 176.614 -0.853 1
2 118 . 1 1 1 A 26 26 ASP CA C 26 54.337 54.650 -0.313 1
2 119 . 1 1 1 A 26 26 ASP CB C 26 41.450 41.953 -0.503 1
2 120 . 1 1 1 A 26 26 ASP N N 26 121.827 122.966 -1.139 1
2 121 . 1 1 1 A 27 27 ASP H H 27 8.219 nan 8.219 1
2 121 . 1 1 1 A 27 27 ASP H H 27 8.219 8.958 -0.739 1
2 122 . 1 1 1 A 27 27 ASP C C 27 176.504 176.400 0.104 1
2 123 . 1 1 1 A 27 27 ASP CA C 27 54.456 54.064 0.392 1
2 124 . 1 1 1 A 27 27 ASP CB C 27 41.476 41.413 0.063 1
2 125 . 1 1 1 A 27 27 ASP N N 27 120.601 121.133 -0.532 1
2 126 . 1 1 1 A 28 28 GLU H H 28 8.442 nan 8.442 1
2 126 . 1 1 1 A 28 28 GLU H H 28 8.442 8.253 0.189 1
2 127 . 1 1 1 A 28 28 GLU C C 28 176.906 177.857 -0.951 1
2 128 . 1 1 1 A 28 28 GLU CA C 28 57.156 57.417 -0.261 1
2 129 . 1 1 1 A 28 28 GLU CB C 28 30.297 33.301 -3.004 1
2 130 . 1 1 1 A 28 28 GLU N N 28 121.153 119.946 1.207 1
2 131 . 1 1 1 A 29 29 THR H H 29 8.214 nan 8.214 1
2 131 . 1 1 1 A 29 29 THR H H 29 8.214 8.068 0.146 1
2 132 . 1 1 1 A 29 29 THR C C 29 174.958 174.579 0.379 1
2 133 . 1 1 1 A 29 29 THR CA C 29 62.422 64.511 -2.089 1
2 134 . 1 1 1 A 29 29 THR CB C 29 69.919 69.630 0.289 1
2 135 . 1 1 1 A 29 29 THR N N 29 114.381 113.104 1.277 1
2 136 . 1 1 1 A 30 30 MET H H 30 8.311 nan 8.311 1
2 136 . 1 1 1 A 30 30 MET H H 30 8.311 7.845 0.466 1
2 137 . 1 1 1 A 30 30 MET C C 30 176.343 174.252 2.091 1
2 138 . 1 1 1 A 30 30 MET CA C 30 55.847 54.096 1.751 1
2 139 . 1 1 1 A 30 30 MET CB C 30 32.939 35.817 -2.878 1
2 140 . 1 1 1 A 30 30 MET N N 30 122.491 118.448 4.043 1
2 141 . 1 1 1 A 31 31 SER H H 31 8.233 nan 8.233 1
2 141 . 1 1 1 A 31 31 SER H H 31 8.233 8.670 -0.437 1
2 142 . 1 1 1 A 31 31 SER C C 31 174.482 174.269 0.213 1
2 143 . 1 1 1 A 31 31 SER CA C 31 58.712 57.650 1.062 1
2 144 . 1 1 1 A 31 31 SER CB C 31 63.975 65.636 -1.661 1
2 145 . 1 1 1 A 31 31 SER N N 31 116.737 118.343 -1.606 1
2 146 . 1 1 1 A 32 32 ASP H H 32 8.391 nan 8.391 1
2 146 . 1 1 1 A 32 32 ASP H H 32 8.391 8.691 -0.300 1
2 147 . 1 1 1 A 32 32 ASP C C 32 176.078 176.519 -0.441 1
2 148 . 1 1 1 A 32 32 ASP CA C 32 54.520 54.597 -0.077 1
2 149 . 1 1 1 A 32 32 ASP CB C 32 41.436 41.437 -0.001 1
2 150 . 1 1 1 A 32 32 ASP N N 32 122.811 121.274 1.537 1
2 151 . 1 1 1 A 33 33 ALA H H 33 8.113 nan 8.113 1
2 151 . 1 1 1 A 33 33 ALA H H 33 8.113 8.239 -0.126 1
2 152 . 1 1 1 A 33 33 ALA C C 33 177.691 177.009 0.682 1
2 153 . 1 1 1 A 33 33 ALA CA C 33 52.900 52.434 0.466 1
2 154 . 1 1 1 A 33 33 ALA CB C 33 19.524 18.793 0.731 1
2 155 . 1 1 1 A 33 33 ALA N N 33 123.614 124.558 -0.944 1
2 156 . 1 1 1 A 34 34 LEU H H 34 8.107 nan 8.107 1
2 156 . 1 1 1 A 34 34 LEU H H 34 8.107 8.877 -0.770 1
2 157 . 1 1 1 A 34 34 LEU C C 34 177.185 175.325 1.860 1
2 158 . 1 1 1 A 34 34 LEU CA C 34 55.457 53.291 2.166 1
2 159 . 1 1 1 A 34 34 LEU CB C 34 42.552 44.206 -1.654 1
2 160 . 1 1 1 A 34 34 LEU N N 34 120.428 124.344 -3.916 1
2 161 . 1 1 1 A 35 35 ASN H H 35 8.314 nan 8.314 1
2 161 . 1 1 1 A 35 35 ASN H H 35 8.314 8.639 -0.325 1
2 162 . 1 1 1 A 35 35 ASN C C 35 175.304 176.024 -0.720 1
2 163 . 1 1 1 A 35 35 ASN CA C 35 53.298 52.608 0.690 1
2 164 . 1 1 1 A 35 35 ASN CB C 35 38.946 39.487 -0.541 1
2 165 . 1 1 1 A 35 35 ASN N N 35 119.645 121.571 -1.926 1
2 166 . 1 1 1 A 36 36 VAL H H 36 7.956 nan 7.956 1
2 166 . 1 1 1 A 36 36 VAL H H 36 7.956 8.736 -0.780 1
2 167 . 1 1 1 A 36 36 VAL C C 36 175.779 176.892 -1.113 1
2 168 . 1 1 1 A 36 36 VAL CA C 36 62.504 63.726 -1.222 1
2 169 . 1 1 1 A 36 36 VAL CB C 36 32.819 30.163 2.656 1
2 170 . 1 1 1 A 36 36 VAL N N 36 119.399 123.686 -4.287 1
2 171 . 1 1 1 A 37 37 ASN H H 37 8.427 nan 8.427 1
2 171 . 1 1 1 A 37 37 ASN H H 37 8.427 8.386 0.041 1
2 172 . 1 1 1 A 37 37 ASN C C 37 175.003 176.469 -1.466 1
2 173 . 1 1 1 A 37 37 ASN CA C 37 53.434 56.378 -2.944 1
2 174 . 1 1 1 A 37 37 ASN CB C 37 39.231 38.059 1.172 1
2 175 . 1 1 1 A 37 37 ASN N N 37 121.615 119.564 2.051 1
2 176 . 1 1 1 A 38 38 ARG H H 38 8.167 nan 8.167 1
2 176 . 1 1 1 A 38 38 ARG H H 38 8.167 7.923 0.244 1
2 177 . 1 1 1 A 38 38 ARG C C 38 176.187 175.255 0.932 1
2 178 . 1 1 1 A 38 38 ARG CA C 38 56.349 54.804 1.545 1
2 179 . 1 1 1 A 38 38 ARG CB C 38 31.058 30.202 0.856 1
2 180 . 1 1 1 A 38 38 ARG N N 38 121.699 115.389 6.310 1
2 181 . 1 1 1 A 39 39 VAL H H 39 8.143 nan 8.143 1
2 181 . 1 1 1 A 39 39 VAL H H 39 8.143 7.544 0.599 1
2 182 . 1 1 1 A 39 39 VAL C C 39 176.145 175.630 0.515 1
2 183 . 1 1 1 A 39 39 VAL CA C 39 62.444 61.569 0.875 1
2 184 . 1 1 1 A 39 39 VAL CB C 39 32.966 32.978 -0.012 1
2 185 . 1 1 1 A 39 39 VAL N N 39 121.185 121.463 -0.278 1
2 186 . 1 1 1 A 40 40 SER H H 40 8.423 nan 8.423 1
2 186 . 1 1 1 A 40 40 SER H H 40 8.423 8.819 -0.396 1
2 187 . 1 1 1 A 40 40 SER C C 40 174.507 175.702 -1.195 1
2 188 . 1 1 1 A 40 40 SER CA C 40 58.175 58.746 -0.571 1
2 189 . 1 1 1 A 40 40 SER CB C 40 64.213 64.173 0.040 1
2 190 . 1 1 1 A 40 40 SER N N 40 119.803 123.006 -3.203 1
2 191 . 1 1 1 A 41 41 ALA H H 41 8.398 nan 8.398 1
2 191 . 1 1 1 A 41 41 ALA H H 41 8.398 9.134 -0.736 1
2 192 . 1 1 1 A 41 41 ALA C C 41 178.122 179.610 -1.488 1
2 193 . 1 1 1 A 41 41 ALA CA C 41 53.264 55.021 -1.757 1
2 194 . 1 1 1 A 41 41 ALA CB C 41 19.427 18.133 1.294 1
2 195 . 1 1 1 A 41 41 ALA N N 41 126.279 127.044 -0.765 1
2 196 . 1 1 1 A 42 42 GLU H H 42 8.342 nan 8.342 1
2 196 . 1 1 1 A 42 42 GLU H H 42 8.342 8.099 0.243 1
2 197 . 1 1 1 A 42 42 GLU C C 42 176.439 178.833 -2.394 1
2 198 . 1 1 1 A 42 42 GLU CA C 42 57.125 59.652 -2.527 1
2 199 . 1 1 1 A 42 42 GLU CB C 42 30.110 29.364 0.746 1
2 200 . 1 1 1 A 42 42 GLU N N 42 118.927 119.178 -0.251 1
2 201 . 1 1 1 A 43 43 ASP H H 43 8.131 nan 8.131 1
2 201 . 1 1 1 A 43 43 ASP H H 43 8.131 8.171 -0.040 1
2 202 . 1 1 1 A 43 43 ASP C C 43 176.196 178.708 -2.512 1
2 203 . 1 1 1 A 43 43 ASP CA C 43 54.788 57.004 -2.216 1
2 204 . 1 1 1 A 43 43 ASP CB C 43 41.340 41.033 0.307 1
2 205 . 1 1 1 A 43 43 ASP N N 43 120.573 119.871 0.702 1
2 206 . 1 1 1 A 44 44 PHE H H 44 8.026 nan 8.026 1
2 206 . 1 1 1 A 44 44 PHE H H 44 8.026 8.158 -0.132 1
2 207 . 1 1 1 A 44 44 PHE C C 44 175.804 178.134 -2.330 1
2 208 . 1 1 1 A 44 44 PHE CA C 44 58.045 61.315 -3.270 1
2 209 . 1 1 1 A 44 44 PHE CB C 44 39.706 38.438 1.268 1
2 210 . 1 1 1 A 44 44 PHE N N 44 120.316 122.082 -1.766 1
2 211 . 1 1 1 A 45 45 ALA H H 45 8.153 nan 8.153 1
2 211 . 1 1 1 A 45 45 ALA H H 45 8.153 8.442 -0.289 1
2 212 . 1 1 1 A 45 45 ALA C C 45 177.786 179.781 -1.995 1
2 213 . 1 1 1 A 45 45 ALA CA C 45 53.096 54.968 -1.872 1
2 214 . 1 1 1 A 45 45 ALA CB C 45 19.294 18.463 0.831 1
2 215 . 1 1 1 A 45 45 ALA N N 45 124.324 121.534 2.790 1
2 216 . 1 1 1 A 46 46 GLN H H 46 8.111 nan 8.111 1
2 216 . 1 1 1 A 46 46 GLN H H 46 8.111 8.345 -0.234 1
2 217 . 1 1 1 A 46 46 GLN C C 46 176.003 175.885 0.118 1
2 218 . 1 1 1 A 46 46 GLN CA C 46 56.488 57.715 -1.227 1
2 219 . 1 1 1 A 46 46 GLN CB C 46 29.402 28.402 1.000 1
2 220 . 1 1 1 A 46 46 GLN N N 46 118.656 114.724 3.932 1
2 221 . 1 1 1 A 47 47 TYR H H 47 7.996 nan 7.996 1
2 221 . 1 1 1 A 47 47 TYR H H 47 7.996 7.644 0.352 1
2 222 . 1 1 1 A 47 47 TYR C C 47 175.891 176.151 -0.260 1
2 223 . 1 1 1 A 47 47 TYR CA C 47 58.294 59.361 -1.067 1
2 224 . 1 1 1 A 47 47 TYR CB C 47 38.789 39.065 -0.276 1
2 225 . 1 1 1 A 47 47 TYR N N 47 120.253 119.421 0.832 1
2 226 . 1 1 1 A 48 48 GLN H H 48 8.158 nan 8.158 1
2 226 . 1 1 1 A 48 48 GLN H H 48 8.158 9.012 -0.854 1
2 227 . 1 1 1 A 48 48 GLN C C 48 175.605 174.985 0.620 1
2 228 . 1 1 1 A 48 48 GLN CA C 48 56.504 57.148 -0.644 1
2 229 . 1 1 1 A 48 48 GLN CB C 48 29.430 29.885 -0.455 1
2 230 . 1 1 1 A 48 48 GLN N N 48 120.896 125.457 -4.561 1
2 231 . 1 1 1 A 49 49 PHE H H 49 7.961 nan 7.961 1
2 231 . 1 1 1 A 49 49 PHE H H 49 7.961 7.638 0.323 1
2 232 . 1 1 1 A 49 49 PHE C C 49 175.591 174.877 0.714 1
2 233 . 1 1 1 A 49 49 PHE CA C 49 57.926 56.452 1.474 1
2 234 . 1 1 1 A 49 49 PHE CB C 49 39.503 42.639 -3.136 1
2 235 . 1 1 1 A 49 49 PHE N N 49 119.933 116.856 3.077 1
2 236 . 1 1 1 A 50 50 LEU H H 50 8.041 nan 8.041 1
2 236 . 1 1 1 A 50 50 LEU H H 50 8.041 8.988 -0.947 1
2 237 . 1 1 1 A 50 50 LEU C C 50 176.898 176.121 0.777 1
2 238 . 1 1 1 A 50 50 LEU CA C 50 55.460 53.603 1.857 1
2 239 . 1 1 1 A 50 50 LEU CB C 50 42.704 46.255 -3.551 1
2 240 . 1 1 1 A 50 50 LEU N N 50 122.948 123.308 -0.360 1
2 241 . 1 1 1 A 51 51 ILE H H 51 8.038 nan 8.038 1
2 241 . 1 1 1 A 51 51 ILE H H 51 8.038 8.830 -0.792 1
2 242 . 1 1 1 A 51 51 ILE C C 51 176.182 174.643 1.539 1
2 243 . 1 1 1 A 51 51 ILE CA C 51 61.279 59.974 1.305 1
2 244 . 1 1 1 A 51 51 ILE CB C 51 38.533 40.495 -1.962 1
2 245 . 1 1 1 A 51 51 ILE N N 51 121.804 123.337 -1.533 1
2 246 . 1 1 1 A 52 52 LEU H H 52 8.226 nan 8.226 1
2 246 . 1 1 1 A 52 52 LEU H H 52 8.226 8.974 -0.748 1
2 247 . 1 1 1 A 52 52 LEU C C 52 177.694 175.546 2.148 1
2 248 . 1 1 1 A 52 52 LEU CA C 52 55.289 53.070 2.219 1
2 249 . 1 1 1 A 52 52 LEU CB C 52 42.596 45.272 -2.676 1
2 250 . 1 1 1 A 52 52 LEU N N 52 125.841 127.625 -1.784 1
2 251 . 1 1 1 A 53 53 GLY H H 53 8.264 nan 8.264 1
2 251 . 1 1 1 A 53 53 GLY H H 53 8.264 8.991 -0.727 1
2 252 . 1 1 1 A 53 53 GLY C C 53 173.722 172.111 1.611 1
2 253 . 1 1 1 A 53 53 GLY CA C 53 45.298 43.089 2.209 1
2 254 . 1 1 1 A 53 53 GLY N N 53 109.533 112.008 -2.475 1
2 255 . 1 1 1 A 54 54 THR H H 54 8.030 nan 8.030 1
2 255 . 1 1 1 A 54 54 THR H H 54 8.030 8.634 -0.604 1
2 256 . 1 1 1 A 54 54 THR C C 54 173.014 172.285 0.729 1
2 257 . 1 1 1 A 54 54 THR CA C 54 59.907 58.661 1.246 1
2 258 . 1 1 1 A 54 54 THR CB C 54 69.817 72.133 -2.316 1
2 259 . 1 1 1 A 54 54 THR N N 54 115.837 115.354 0.483 1
2 260 . 1 1 1 A 55 55 PRO C C 55 176.975 175.172 1.803 1
2 261 . 1 1 1 A 55 55 PRO CA C 55 63.457 62.205 1.252 1
2 262 . 1 1 1 A 56 56 THR H H 56 8.222 nan 8.222 1
2 262 . 1 1 1 A 56 56 THR H H 56 8.222 8.364 -0.142 1
2 263 . 1 1 1 A 56 56 THR C C 56 174.630 173.256 1.374 1
2 264 . 1 1 1 A 56 56 THR CA C 56 61.941 60.720 1.221 1
2 265 . 1 1 1 A 56 56 THR CB C 56 70.073 70.572 -0.499 1
2 266 . 1 1 1 A 56 56 THR N N 56 114.912 113.715 1.197 1
2 267 . 1 1 1 A 57 57 LEU H H 57 8.259 nan 8.259 1
2 267 . 1 1 1 A 57 57 LEU H H 57 8.259 9.002 -0.743 1
2 268 . 1 1 1 A 57 57 LEU C C 57 177.724 177.018 0.706 1
2 269 . 1 1 1 A 57 57 LEU CA C 57 55.510 53.137 2.373 1
2 270 . 1 1 1 A 57 57 LEU CB C 57 42.578 44.125 -1.547 1
2 271 . 1 1 1 A 57 57 LEU N N 57 124.721 126.368 -1.647 1
2 272 . 1 1 1 A 58 58 GLY H H 58 8.482 nan 8.482 1
2 272 . 1 1 1 A 58 58 GLY H H 58 8.482 8.453 0.029 1
2 273 . 1 1 1 A 58 58 GLY C C 58 174.181 174.914 -0.733 1
2 274 . 1 1 1 A 58 58 GLY CA C 58 45.387 46.377 -0.990 1
2 275 . 1 1 1 A 58 58 GLY N N 58 110.292 109.272 1.020 1
2 276 . 1 1 1 A 59 59 GLU H H 59 8.330 nan 8.330 1
2 276 . 1 1 1 A 59 59 GLU H H 59 8.330 9.259 -0.929 1
2 277 . 1 1 1 A 59 59 GLU C C 59 177.077 176.615 0.462 1
2 278 . 1 1 1 A 59 59 GLU CA C 59 56.875 57.588 -0.713 1
2 279 . 1 1 1 A 59 59 GLU CB C 59 30.452 28.246 2.206 1
2 280 . 1 1 1 A 59 59 GLU N N 59 120.848 122.506 -1.658 1
2 281 . 1 1 1 A 60 60 GLY H H 60 8.474 nan 8.474 1
2 281 . 1 1 1 A 60 60 GLY H H 60 8.474 8.710 -0.236 1
2 282 . 1 1 1 A 60 60 GLY C C 60 173.849 173.948 -0.099 1
2 283 . 1 1 1 A 60 60 GLY CA C 60 45.387 46.931 -1.544 1
2 284 . 1 1 1 A 60 60 GLY N N 60 110.101 104.383 5.718 1
2 285 . 1 1 1 A 61 61 GLU H H 61 8.153 nan 8.153 1
2 285 . 1 1 1 A 61 61 GLU H H 61 8.153 7.899 0.254 1
2 286 . 1 1 1 A 61 61 GLU C C 61 176.253 175.629 0.624 1
2 287 . 1 1 1 A 61 61 GLU CA C 61 56.257 54.529 1.728 1
2 288 . 1 1 1 A 61 61 GLU CB C 61 30.809 31.819 -1.010 1
2 289 . 1 1 1 A 61 61 GLU N N 61 120.499 118.684 1.815 1
2 290 . 1 1 1 A 62 62 LEU H H 62 8.292 nan 8.292 1
2 290 . 1 1 1 A 62 62 LEU H H 62 8.292 8.523 -0.231 1
2 291 . 1 1 1 A 62 62 LEU C C 62 175.283 175.156 0.127 1
2 292 . 1 1 1 A 62 62 LEU CA C 62 53.205 53.382 -0.177 1
2 293 . 1 1 1 A 62 62 LEU CB C 62 41.808 41.041 0.767 1
2 294 . 1 1 1 A 62 62 LEU N N 62 124.170 122.145 2.025 1
2 295 . 1 1 1 A 63 63 PRO C C 63 177.437 176.551 0.886 1
2 296 . 1 1 1 A 63 63 PRO CA C 63 63.533 62.918 0.615 1
2 297 . 1 1 1 A 64 64 GLY H H 64 8.413 nan 8.413 1
2 297 . 1 1 1 A 64 64 GLY H H 64 8.413 8.086 0.327 1
2 298 . 1 1 1 A 64 64 GLY C C 64 174.035 174.300 -0.265 1
2 299 . 1 1 1 A 64 64 GLY CA C 64 45.496 45.361 0.135 1
2 300 . 1 1 1 A 64 64 GLY N N 64 109.355 107.049 2.306 1
2 301 . 1 1 1 A 65 65 LEU H H 65 8.105 nan 8.105 1
2 301 . 1 1 1 A 65 65 LEU H H 65 8.105 8.979 -0.874 1
2 302 . 1 1 1 A 65 65 LEU C C 65 177.658 178.755 -1.097 1
2 303 . 1 1 1 A 65 65 LEU CA C 65 55.280 57.180 -1.900 1
2 304 . 1 1 1 A 65 65 LEU CB C 65 42.749 41.500 1.249 1
2 305 . 1 1 1 A 65 65 LEU N N 65 121.929 121.195 0.734 1
2 306 . 1 1 1 A 66 66 SER H H 66 8.362 nan 8.362 1
2 306 . 1 1 1 A 66 66 SER H H 66 8.362 8.074 0.288 1
2 307 . 1 1 1 A 66 66 SER C C 66 174.788 175.596 -0.808 1
2 308 . 1 1 1 A 66 66 SER CA C 66 58.438 61.447 -3.009 1
2 309 . 1 1 1 A 66 66 SER CB C 66 64.024 63.261 0.763 1
2 310 . 1 1 1 A 66 66 SER N N 66 116.929 115.729 1.200 1
2 311 . 1 1 1 A 67 67 SER H H 67 8.368 nan 8.368 1
2 311 . 1 1 1 A 67 67 SER H H 67 8.368 7.785 0.583 1
2 312 . 1 1 1 A 67 67 SER C C 67 174.494 173.775 0.719 1
2 313 . 1 1 1 A 67 67 SER CA C 67 58.499 58.088 0.411 1
2 314 . 1 1 1 A 67 67 SER CB C 67 63.979 63.207 0.772 1
2 315 . 1 1 1 A 67 67 SER N N 67 117.831 113.175 4.656 1
2 316 . 1 1 1 A 68 68 ASP H H 68 8.386 nan 8.386 1
2 316 . 1 1 1 A 68 68 ASP H H 68 8.386 8.135 0.251 1
2 317 . 1 1 1 A 68 68 ASP C C 68 176.083 175.092 0.991 1
2 318 . 1 1 1 A 68 68 ASP CA C 68 54.520 55.413 -0.893 1
2 319 . 1 1 1 A 68 68 ASP CB C 68 41.436 39.103 2.333 1
2 320 . 1 1 1 A 68 68 ASP N N 68 122.886 116.966 5.920 1
2 321 . 1 1 1 A 69 69 ALA H H 69 8.097 nan 8.097 1
2 321 . 1 1 1 A 69 69 ALA H H 69 8.097 7.664 0.433 1
2 322 . 1 1 1 A 69 69 ALA C C 69 177.944 177.945 -0.001 1
2 323 . 1 1 1 A 69 69 ALA CA C 69 52.900 52.150 0.750 1
2 324 . 1 1 1 A 69 69 ALA CB C 69 19.524 19.594 -0.070 1
2 325 . 1 1 1 A 69 69 ALA N N 69 123.636 120.069 3.567 1
2 326 . 1 1 1 A 70 70 GLU H H 70 8.293 nan 8.293 1
2 326 . 1 1 1 A 70 70 GLU H H 70 8.293 8.738 -0.445 1
2 327 . 1 1 1 A 70 70 GLU C C 70 176.415 175.777 0.638 1
2 328 . 1 1 1 A 70 70 GLU CA C 70 56.858 59.825 -2.967 1
2 329 . 1 1 1 A 70 70 GLU CB C 70 30.195 29.820 0.375 1
2 330 . 1 1 1 A 70 70 GLU N N 70 119.386 121.347 -1.961 1
2 331 . 1 1 1 A 71 71 ASN H H 71 8.242 nan 8.242 1
2 331 . 1 1 1 A 71 71 ASN H H 71 8.242 8.070 0.172 1
2 332 . 1 1 1 A 71 71 ASN C C 71 175.266 174.991 0.275 1
2 333 . 1 1 1 A 71 71 ASN CA C 71 53.483 51.900 1.583 1
2 334 . 1 1 1 A 71 71 ASN CB C 71 39.208 41.777 -2.569 1
2 335 . 1 1 1 A 71 71 ASN N N 71 118.991 115.782 3.209 1
2 336 . 1 1 1 A 72 72 GLU H H 72 8.350 nan 8.350 1
2 336 . 1 1 1 A 72 72 GLU H H 72 8.350 8.511 -0.161 1
2 337 . 1 1 1 A 72 72 GLU C C 72 176.493 176.411 0.082 1
2 338 . 1 1 1 A 72 72 GLU CA C 72 56.753 57.187 -0.434 1
2 339 . 1 1 1 A 72 72 GLU CB C 72 30.365 30.646 -0.281 1
2 340 . 1 1 1 A 72 72 GLU N N 72 121.213 120.797 0.416 1
2 341 . 1 1 1 A 73 73 SER H H 73 8.305 nan 8.305 1
2 341 . 1 1 1 A 73 73 SER H H 73 8.305 8.626 -0.321 1
2 342 . 1 1 1 A 73 73 SER C C 73 174.519 173.452 1.067 1
2 343 . 1 1 1 A 73 73 SER CA C 73 58.738 56.125 2.613 1
2 344 . 1 1 1 A 73 73 SER CB C 73 63.970 65.204 -1.234 1
2 345 . 1 1 1 A 73 73 SER N N 73 116.551 114.748 1.803 1
2 346 . 1 1 1 A 74 74 TRP H H 74 8.083 nan 8.083 1
2 346 . 1 1 1 A 74 74 TRP H H 74 8.083 8.936 -0.853 1
2 347 . 1 1 1 A 74 74 TRP C C 74 176.278 178.518 -2.240 1
2 348 . 1 1 1 A 74 74 TRP CA C 74 57.662 60.658 -2.996 1
2 349 . 1 1 1 A 74 74 TRP CB C 74 29.736 29.336 0.400 1
2 350 . 1 1 1 A 74 74 TRP N N 74 123.121 124.421 -1.300 1
2 351 . 1 1 1 A 75 75 GLU H H 75 8.116 nan 8.116 1
2 351 . 1 1 1 A 75 75 GLU H H 75 8.116 8.344 -0.228 1
2 352 . 1 1 1 A 75 75 GLU C C 75 176.152 179.139 -2.987 1
2 353 . 1 1 1 A 75 75 GLU CA C 75 56.790 59.926 -3.136 1
2 354 . 1 1 1 A 75 75 GLU CB C 75 30.414 29.278 1.136 1
2 355 . 1 1 1 A 75 75 GLU N N 75 121.859 119.586 2.273 1
2 356 . 1 1 1 A 76 76 GLU H H 76 8.136 nan 8.136 1
2 356 . 1 1 1 A 76 76 GLU H H 76 8.136 8.133 0.003 1
2 357 . 1 1 1 A 76 76 GLU C C 76 175.887 178.571 -2.684 1
2 358 . 1 1 1 A 76 76 GLU CA C 76 56.842 58.156 -1.314 1
2 359 . 1 1 1 A 76 76 GLU CB C 76 30.400 29.628 0.772 1
2 360 . 1 1 1 A 76 76 GLU N N 76 121.112 119.189 1.923 1
2 361 . 1 1 1 A 77 77 PHE H H 77 8.110 nan 8.110 1
2 361 . 1 1 1 A 77 77 PHE H H 77 8.110 8.235 -0.125 1
2 362 . 1 1 1 A 77 77 PHE C C 77 175.081 177.159 -2.078 1
2 363 . 1 1 1 A 77 77 PHE CA C 77 57.510 61.224 -3.714 1
2 364 . 1 1 1 A 77 77 PHE CB C 77 39.870 38.786 1.084 1
2 365 . 1 1 1 A 77 77 PHE N N 77 120.784 123.091 -2.307 1
2 366 . 1 1 1 A 78 78 LEU H H 78 8.025 nan 8.025 1
2 366 . 1 1 1 A 78 78 LEU H H 78 8.025 8.219 -0.194 1
2 367 . 1 1 1 A 78 78 LEU C C 78 174.621 175.794 -1.173 1
2 368 . 1 1 1 A 78 78 LEU CA C 78 52.829 59.706 -6.877 1
2 369 . 1 1 1 A 78 78 LEU CB C 78 42.120 39.507 2.613 1
2 370 . 1 1 1 A 78 78 LEU N N 78 125.189 119.357 5.832 1
2 371 . 1 1 1 A 79 79 PRO C C 79 176.683 178.697 -2.014 1
2 372 . 1 1 1 A 79 79 PRO CA C 79 62.997 65.180 -2.183 1
2 373 . 1 1 1 A 80 80 LYS H H 80 8.394 nan 8.394 1
2 373 . 1 1 1 A 80 80 LYS H H 80 8.394 8.453 -0.059 1
2 374 . 1 1 1 A 80 80 LYS C C 80 176.640 178.093 -1.453 1
2 375 . 1 1 1 A 80 80 LYS CA C 80 56.689 58.191 -1.502 1
2 376 . 1 1 1 A 80 80 LYS CB C 80 32.877 32.101 0.776 1
2 377 . 1 1 1 A 80 80 LYS N N 80 122.285 116.677 5.608 1
2 378 . 1 1 1 A 81 81 ILE H H 81 8.133 nan 8.133 1
2 378 . 1 1 1 A 81 81 ILE H H 81 8.133 7.648 0.485 1
2 379 . 1 1 1 A 81 81 ILE C C 81 176.041 177.188 -1.147 1
2 380 . 1 1 1 A 81 81 ILE CA C 81 61.191 60.432 0.759 1
2 381 . 1 1 1 A 81 81 ILE CB C 81 38.931 38.386 0.545 1
2 382 . 1 1 1 A 81 81 ILE N N 81 122.283 112.047 10.236 1
2 383 . 1 1 1 A 82 82 GLU H H 82 8.448 nan 8.448 1
2 383 . 1 1 1 A 82 82 GLU H H 82 8.448 8.501 -0.053 1
2 384 . 1 1 1 A 82 82 GLU C C 82 176.739 177.382 -0.643 1
2 385 . 1 1 1 A 82 82 GLU CA C 82 56.819 58.461 -1.642 1
2 386 . 1 1 1 A 82 82 GLU CB C 82 30.519 28.768 1.751 1
2 387 . 1 1 1 A 82 82 GLU N N 82 125.181 124.090 1.091 1
2 388 . 1 1 1 A 83 83 GLY H H 83 8.369 nan 8.369 1
2 388 . 1 1 1 A 83 83 GLY H H 83 8.369 8.046 0.323 1
2 389 . 1 1 1 A 83 83 GLY C C 83 173.961 174.226 -0.265 1
2 390 . 1 1 1 A 83 83 GLY CA C 83 45.491 45.019 0.472 1
2 391 . 1 1 1 A 83 83 GLY N N 83 110.198 107.873 2.325 1
2 392 . 1 1 1 A 84 84 LEU H H 84 8.023 nan 8.023 1
2 392 . 1 1 1 A 84 84 LEU H H 84 8.023 7.337 0.686 1
2 393 . 1 1 1 A 84 84 LEU C C 84 176.858 175.999 0.859 1
2 394 . 1 1 1 A 84 84 LEU CA C 84 55.269 54.171 1.098 1
2 395 . 1 1 1 A 84 84 LEU CB C 84 42.753 42.830 -0.077 1
2 396 . 1 1 1 A 84 84 LEU N N 84 121.581 120.917 0.664 1
2 397 . 1 1 1 A 85 85 ASP H H 85 8.315 nan 8.315 1
2 397 . 1 1 1 A 85 85 ASP H H 85 8.315 8.457 -0.142 1
2 398 . 1 1 1 A 85 85 ASP C C 85 175.923 175.932 -0.009 1
2 399 . 1 1 1 A 85 85 ASP CA C 85 54.155 52.493 1.662 1
2 400 . 1 1 1 A 85 85 ASP CB C 85 41.423 43.596 -2.173 1
2 401 . 1 1 1 A 85 85 ASP N N 85 120.660 123.389 -2.729 1
2 402 . 1 1 1 A 86 86 PHE H H 86 8.182 nan 8.182 1
2 402 . 1 1 1 A 86 86 PHE H H 86 8.182 8.522 -0.340 1
2 403 . 1 1 1 A 86 86 PHE C C 86 175.915 175.937 -0.022 1
2 404 . 1 1 1 A 86 86 PHE CA C 86 58.017 57.036 0.981 1
2 405 . 1 1 1 A 86 86 PHE CB C 86 39.382 39.363 0.019 1
2 406 . 1 1 1 A 86 86 PHE N N 86 121.189 124.290 -3.101 1
2 407 . 1 1 1 A 87 87 SER H H 87 8.344 nan 8.344 1
2 407 . 1 1 1 A 87 87 SER H H 87 8.344 7.699 0.645 1
2 408 . 1 1 1 A 87 87 SER C C 87 174.949 175.745 -0.796 1
2 409 . 1 1 1 A 87 87 SER CA C 87 58.818 60.547 -1.729 1
2 410 . 1 1 1 A 87 87 SER CB C 87 64.052 62.981 1.071 1
2 411 . 1 1 1 A 87 87 SER N N 87 117.556 114.733 2.823 1
2 412 . 1 1 1 A 88 88 GLY H H 88 8.078 nan 8.078 1
2 412 . 1 1 1 A 88 88 GLY H H 88 8.078 8.183 -0.105 1
2 413 . 1 1 1 A 88 88 GLY C C 88 173.985 173.379 0.606 1
2 414 . 1 1 1 A 88 88 GLY CA C 88 45.564 45.325 0.239 1
2 415 . 1 1 1 A 88 88 GLY N N 88 110.844 112.851 -2.007 1
2 416 . 1 1 1 A 89 89 LYS H H 89 8.151 nan 8.151 1
2 416 . 1 1 1 A 89 89 LYS H H 89 8.151 7.937 0.214 1
2 417 . 1 1 1 A 89 89 LYS C C 89 176.850 175.687 1.163 1
2 418 . 1 1 1 A 89 89 LYS CA C 89 56.689 54.103 2.586 1
2 419 . 1 1 1 A 89 89 LYS CB C 89 33.134 34.510 -1.376 1
2 420 . 1 1 1 A 89 89 LYS N N 89 121.002 120.167 0.835 1
2 421 . 1 1 1 A 90 90 THR H H 90 8.172 nan 8.172 1
2 421 . 1 1 1 A 90 90 THR H H 90 8.172 8.702 -0.530 1
2 422 . 1 1 1 A 90 90 THR C C 90 174.560 173.416 1.144 1
2 423 . 1 1 1 A 90 90 THR CA C 90 61.992 61.791 0.201 1
2 424 . 1 1 1 A 90 90 THR CB C 90 70.058 70.181 -0.123 1
2 425 . 1 1 1 A 90 90 THR N N 90 115.684 116.087 -0.403 1
2 426 . 1 1 1 A 91 91 VAL H H 91 8.072 nan 8.072 1
2 426 . 1 1 1 A 91 91 VAL H H 91 8.072 8.948 -0.876 1
2 427 . 1 1 1 A 91 91 VAL C C 91 175.603 174.759 0.844 1
2 428 . 1 1 1 A 91 91 VAL CA C 91 62.285 60.275 2.010 1
2 429 . 1 1 1 A 91 91 VAL CB C 91 32.957 35.325 -2.368 1
2 430 . 1 1 1 A 91 91 VAL N N 91 122.280 125.597 -3.317 1
2 431 . 1 1 1 A 92 92 ALA H H 92 8.231 nan 8.231 1
2 431 . 1 1 1 A 92 92 ALA H H 92 8.231 8.880 -0.649 1
2 432 . 1 1 1 A 92 92 ALA C C 92 177.272 176.049 1.223 1
2 433 . 1 1 1 A 92 92 ALA CA C 92 52.453 50.547 1.906 1
2 434 . 1 1 1 A 92 92 ALA CB C 92 19.550 22.348 -2.798 1
2 435 . 1 1 1 A 92 92 ALA N N 92 127.366 128.298 -0.932 1
2 436 . 1 1 1 A 93 93 LEU H H 93 8.046 nan 8.046 1
2 436 . 1 1 1 A 93 93 LEU H H 93 8.046 8.967 -0.921 1
2 437 . 1 1 1 A 93 93 LEU C C 93 176.991 175.913 1.078 1
2 438 . 1 1 1 A 93 93 LEU CA C 93 55.346 53.820 1.526 1
2 439 . 1 1 1 A 93 93 LEU CB C 93 42.565 45.147 -2.582 1
2 440 . 1 1 1 A 93 93 LEU N N 93 121.610 122.932 -1.322 1
2 441 . 1 1 1 A 94 94 PHE H H 94 8.088 nan 8.088 1
2 441 . 1 1 1 A 94 94 PHE H H 94 8.088 8.945 -0.857 1
2 442 . 1 1 1 A 94 94 PHE C C 94 176.203 173.201 3.002 1
2 443 . 1 1 1 A 94 94 PHE CA C 94 57.703 54.876 2.827 1
2 444 . 1 1 1 A 94 94 PHE CB C 94 39.884 41.965 -2.081 1
2 445 . 1 1 1 A 94 94 PHE N N 94 119.690 119.126 0.564 1
2 446 . 1 1 1 A 95 95 GLY H H 95 8.348 nan 8.348 1
2 446 . 1 1 1 A 95 95 GLY H H 95 8.348 8.825 -0.477 1
2 447 . 1 1 1 A 95 95 GLY C C 95 174.089 171.712 2.377 1
2 448 . 1 1 1 A 95 95 GLY CA C 95 45.565 43.649 1.916 1
2 449 . 1 1 1 A 95 95 GLY N N 95 110.432 108.401 2.031 1
2 450 . 1 1 1 A 96 96 LEU H H 96 8.120 nan 8.120 1
2 450 . 1 1 1 A 96 96 LEU H H 96 8.120 8.607 -0.487 1
2 451 . 1 1 1 A 96 96 LEU C C 96 177.972 176.709 1.263 1
2 452 . 1 1 1 A 96 96 LEU CA C 96 55.531 53.052 2.479 1
2 453 . 1 1 1 A 96 96 LEU CB C 96 42.581 45.129 -2.548 1
2 454 . 1 1 1 A 96 96 LEU N N 96 121.651 122.383 -0.732 1
2 455 . 1 1 1 A 97 97 GLY H H 97 8.425 nan 8.425 1
2 455 . 1 1 1 A 97 97 GLY H H 97 8.425 8.286 0.139 1
2 456 . 1 1 1 A 97 97 GLY C C 97 173.998 171.507 2.491 1
2 457 . 1 1 1 A 97 97 GLY CA C 97 45.496 45.732 -0.236 1
2 458 . 1 1 1 A 97 97 GLY N N 97 109.551 109.411 0.140 1
2 459 . 1 1 1 A 98 98 ASP H H 98 8.233 nan 8.233 1
2 459 . 1 1 1 A 98 98 ASP H H 98 8.233 8.616 -0.383 1
2 460 . 1 1 1 A 98 98 ASP C C 98 176.249 176.362 -0.113 1
2 461 . 1 1 1 A 98 98 ASP CA C 98 54.456 52.739 1.717 1
2 462 . 1 1 1 A 98 98 ASP CB C 98 41.476 42.285 -0.809 1
2 463 . 1 1 1 A 98 98 ASP N N 98 120.657 120.373 0.284 1
2 464 . 1 1 1 A 99 99 GLN H H 99 8.302 nan 8.302 1
2 464 . 1 1 1 A 99 99 GLN H H 99 8.302 8.846 -0.544 1
2 465 . 1 1 1 A 99 99 GLN C C 99 175.864 177.661 -1.797 1
2 466 . 1 1 1 A 99 99 GLN CA C 99 56.025 57.991 -1.966 1
2 467 . 1 1 1 A 99 99 GLN CB C 99 29.484 27.487 1.997 1
2 468 . 1 1 1 A 99 99 GLN N N 99 120.036 124.896 -4.860 1
2 469 . 1 1 1 A 100 100 VAL H H 100 8.005 nan 8.005 1
2 469 . 1 1 1 A 100 100 VAL H H 100 8.005 7.847 0.158 1
2 470 . 1 1 1 A 100 100 VAL C C 100 176.364 178.754 -2.390 1
2 471 . 1 1 1 A 100 100 VAL CA C 100 62.511 66.249 -3.738 1
2 472 . 1 1 1 A 100 100 VAL CB C 100 32.850 31.990 0.860 1
2 473 . 1 1 1 A 100 100 VAL N N 100 120.231 120.111 0.120 1
2 474 . 1 1 1 A 101 101 GLY H H 101 8.291 nan 8.291 1
2 474 . 1 1 1 A 101 101 GLY H H 101 8.291 8.187 0.104 1
2 475 . 1 1 1 A 101 101 GLY C C 101 173.227 173.882 -0.655 1
2 476 . 1 1 1 A 101 101 GLY CA C 101 45.112 45.560 -0.448 1
2 477 . 1 1 1 A 101 101 GLY N N 101 111.987 108.055 3.932 1
2 478 . 1 1 1 A 102 102 TYR H H 102 8.039 nan 8.039 1
2 478 . 1 1 1 A 102 102 TYR H H 102 8.039 7.774 0.265 1
2 479 . 1 1 1 A 102 102 TYR C C 102 174.041 175.149 -1.108 1
2 480 . 1 1 1 A 102 102 TYR CA C 102 56.105 55.397 0.708 1
2 481 . 1 1 1 A 102 102 TYR CB C 102 38.525 38.674 -0.149 1
2 482 . 1 1 1 A 102 102 TYR N N 102 120.880 118.104 2.776 1
2 483 . 1 1 1 A 103 103 PRO C C 103 176.913 177.575 -0.662 1
2 484 . 1 1 1 A 103 103 PRO CA C 103 63.251 65.280 -2.029 1
2 485 . 1 1 1 A 104 104 GLU H H 104 8.601 nan 8.601 1
2 485 . 1 1 1 A 104 104 GLU H H 104 8.601 8.374 0.227 1
2 486 . 1 1 1 A 104 104 GLU C C 104 176.490 177.156 -0.666 1
2 487 . 1 1 1 A 104 104 GLU CA C 104 57.578 56.882 0.696 1
2 488 . 1 1 1 A 104 104 GLU CB C 104 30.044 30.267 -0.223 1
2 489 . 1 1 1 A 104 104 GLU N N 104 121.154 117.334 3.820 1
2 490 . 1 1 1 A 105 105 ASN H H 105 8.374 nan 8.374 1
2 490 . 1 1 1 A 105 105 ASN H H 105 8.374 7.931 0.443 1
2 491 . 1 1 1 A 105 105 ASN C C 105 175.289 174.486 0.803 1
2 492 . 1 1 1 A 105 105 ASN CA C 105 53.542 52.589 0.953 1
2 493 . 1 1 1 A 105 105 ASN CB C 105 38.917 39.826 -0.909 1
2 494 . 1 1 1 A 105 105 ASN N N 105 118.179 117.238 0.941 1
2 495 . 1 1 1 A 106 106 TYR H H 106 8.009 nan 8.009 1
2 495 . 1 1 1 A 106 106 TYR H H 106 8.009 7.566 0.443 1
2 496 . 1 1 1 A 106 106 TYR C C 106 175.875 176.413 -0.538 1
2 497 . 1 1 1 A 106 106 TYR CA C 106 58.812 59.460 -0.648 1
2 498 . 1 1 1 A 106 106 TYR CB C 106 38.847 38.195 0.652 1
2 499 . 1 1 1 A 106 106 TYR N N 106 120.765 123.506 -2.741 1
2 500 . 1 1 1 A 107 107 LEU H H 107 8.000 nan 8.000 1
2 500 . 1 1 1 A 107 107 LEU H H 107 8.000 8.902 -0.902 1
2 501 . 1 1 1 A 107 107 LEU C C 107 177.495 175.935 1.560 1
2 502 . 1 1 1 A 107 107 LEU CA C 107 55.791 55.866 -0.075 1
2 503 . 1 1 1 A 107 107 LEU CB C 107 42.316 38.889 3.427 1
2 504 . 1 1 1 A 107 107 LEU N N 107 122.024 125.165 -3.141 1
2 505 . 1 1 1 A 108 108 ASP H H 108 8.127 nan 8.127 1
2 505 . 1 1 1 A 108 108 ASP H H 108 8.127 8.166 -0.039 1
2 506 . 1 1 1 A 108 108 ASP C C 108 176.448 178.496 -2.048 1
2 507 . 1 1 1 A 108 108 ASP CA C 108 54.788 57.260 -2.472 1
2 508 . 1 1 1 A 108 108 ASP CB C 108 41.340 40.395 0.945 1
2 509 . 1 1 1 A 108 108 ASP N N 108 120.540 118.908 1.632 1
2 510 . 1 1 1 A 109 109 ALA H H 109 8.017 nan 8.017 1
2 510 . 1 1 1 A 109 109 ALA H H 109 8.017 7.810 0.207 1
2 511 . 1 1 1 A 109 109 ALA C C 109 178.080 179.774 -1.694 1
2 512 . 1 1 1 A 109 109 ALA CA C 109 53.218 54.963 -1.745 1
2 513 . 1 1 1 A 109 109 ALA CB C 109 19.399 18.416 0.983 1
2 514 . 1 1 1 A 109 109 ALA N N 109 123.272 121.846 1.426 1
2 515 . 1 1 1 A 110 110 LEU H H 110 8.061 nan 8.061 1
2 515 . 1 1 1 A 110 110 LEU H H 110 8.061 8.273 -0.212 1
2 516 . 1 1 1 A 110 110 LEU C C 110 178.084 178.834 -0.750 1
2 517 . 1 1 1 A 110 110 LEU CA C 110 55.913 57.024 -1.111 1
2 518 . 1 1 1 A 110 110 LEU CB C 110 42.274 42.017 0.257 1
2 519 . 1 1 1 A 110 110 LEU N N 110 120.025 120.073 -0.048 1
2 520 . 1 1 1 A 111 111 GLY H H 111 8.190 nan 8.190 1
2 520 . 1 1 1 A 111 111 GLY H H 111 8.190 8.260 -0.070 1
2 521 . 1 1 1 A 111 111 GLY C C 111 174.472 175.604 -1.132 1
2 522 . 1 1 1 A 111 111 GLY CA C 111 45.809 47.182 -1.373 1
2 523 . 1 1 1 A 111 111 GLY N N 111 108.490 106.872 1.618 1
2 524 . 1 1 1 A 112 112 GLU H H 112 8.182 nan 8.182 1
2 524 . 1 1 1 A 112 112 GLU H H 112 8.182 8.299 -0.117 1
2 525 . 1 1 1 A 112 112 GLU C C 112 176.788 178.693 -1.905 1
2 526 . 1 1 1 A 112 112 GLU CA C 112 56.840 59.098 -2.258 1
2 527 . 1 1 1 A 112 112 GLU CB C 112 30.362 29.336 1.026 1
2 528 . 1 1 1 A 112 112 GLU N N 112 120.704 121.420 -0.716 1
2 529 . 1 1 1 A 113 113 LEU H H 113 8.145 nan 8.145 1
2 529 . 1 1 1 A 113 113 LEU H H 113 8.145 7.955 0.190 1
2 530 . 1 1 1 A 113 113 LEU C C 113 177.222 178.375 -1.153 1
2 531 . 1 1 1 A 113 113 LEU CA C 113 55.908 57.581 -1.673 1
2 532 . 1 1 1 A 113 113 LEU CB C 113 42.483 41.519 0.964 1
2 533 . 1 1 1 A 113 113 LEU N N 113 122.124 120.848 1.276 1
2 534 . 1 1 1 A 114 114 TYR H H 114 8.054 nan 8.054 1
2 534 . 1 1 1 A 114 114 TYR H H 114 8.054 8.325 -0.271 1
2 535 . 1 1 1 A 114 114 TYR C C 114 176.056 177.196 -1.140 1
2 536 . 1 1 1 A 114 114 TYR CA C 114 58.359 62.157 -3.798 1
2 537 . 1 1 1 A 114 114 TYR CB C 114 38.966 38.705 0.261 1
2 538 . 1 1 1 A 114 114 TYR N N 114 119.841 120.184 -0.343 1
2 539 . 1 1 1 A 115 115 SER H H 115 8.051 nan 8.051 1
2 539 . 1 1 1 A 115 115 SER H H 115 8.051 8.144 -0.093 1
2 540 . 1 1 1 A 115 115 SER C C 115 174.264 175.636 -1.372 1
2 541 . 1 1 1 A 115 115 SER CA C 115 58.636 63.067 -4.431 1
2 542 . 1 1 1 A 115 115 SER CB C 115 63.755 63.076 0.679 1
2 543 . 1 1 1 A 115 115 SER N N 115 116.470 115.978 0.492 1
2 544 . 1 1 1 A 116 116 PHE H H 116 8.043 nan 8.043 1
2 544 . 1 1 1 A 116 116 PHE H H 116 8.043 8.220 -0.177 1
2 545 . 1 1 1 A 116 116 PHE C C 116 175.674 176.932 -1.258 1
2 546 . 1 1 1 A 116 116 PHE CA C 116 58.475 61.488 -3.013 1
2 547 . 1 1 1 A 116 116 PHE CB C 116 39.710 38.777 0.933 1
2 548 . 1 1 1 A 116 116 PHE N N 116 122.138 121.934 0.204 1
2 549 . 1 1 1 A 117 117 PHE H H 117 8.059 nan 8.059 1
2 549 . 1 1 1 A 117 117 PHE H H 117 8.059 8.018 0.041 1
2 550 . 1 1 1 A 117 117 PHE C C 117 175.796 178.014 -2.218 1
2 551 . 1 1 1 A 117 117 PHE CA C 117 58.174 61.463 -3.289 1
2 552 . 1 1 1 A 117 117 PHE CB C 117 39.710 38.477 1.233 1
2 553 . 1 1 1 A 117 117 PHE N N 117 120.225 116.510 3.715 1
2 554 . 1 1 1 A 118 118 LYS H H 118 8.102 nan 8.102 1
2 554 . 1 1 1 A 118 118 LYS H H 118 8.102 8.381 -0.279 1
2 555 . 1 1 1 A 118 118 LYS C C 118 176.104 179.321 -3.217 1
2 556 . 1 1 1 A 118 118 LYS CA C 118 56.810 59.936 -3.126 1
2 557 . 1 1 1 A 118 118 LYS CB C 118 33.146 32.247 0.899 1
2 558 . 1 1 1 A 118 118 LYS N N 118 122.261 121.694 0.567 1
2 559 . 1 1 1 A 119 119 ASP H H 119 8.219 nan 8.219 1
2 559 . 1 1 1 A 119 119 ASP H H 119 8.219 8.324 -0.105 1
2 560 . 1 1 1 A 119 119 ASP C C 119 176.252 177.758 -1.506 1
2 561 . 1 1 1 A 119 119 ASP CA C 119 54.429 56.690 -2.261 1
2 562 . 1 1 1 A 119 119 ASP CB C 119 41.469 40.253 1.216 1
2 563 . 1 1 1 A 119 119 ASP N N 119 121.153 119.777 1.376 1
2 564 . 1 1 1 A 120 120 ARG H H 120 8.221 nan 8.221 1
2 564 . 1 1 1 A 120 120 ARG H H 120 8.221 7.644 0.577 1
2 565 . 1 1 1 A 120 120 ARG C C 120 176.793 176.563 0.230 1
2 566 . 1 1 1 A 120 120 ARG CA C 120 56.662 55.320 1.342 1
2 567 . 1 1 1 A 120 120 ARG CB C 120 30.777 29.925 0.852 1
2 568 . 1 1 1 A 120 120 ARG N N 120 121.394 117.069 4.325 1
2 569 . 1 1 1 A 121 121 GLY H H 121 8.408 nan 8.408 1
2 569 . 1 1 1 A 121 121 GLY H H 121 8.408 8.143 0.265 1
2 570 . 1 1 1 A 121 121 GLY C C 121 173.772 174.413 -0.641 1
2 571 . 1 1 1 A 121 121 GLY CA C 121 45.496 45.642 -0.146 1
2 572 . 1 1 1 A 121 121 GLY N N 121 109.612 107.430 2.182 1
2 573 . 1 1 1 A 122 122 ALA H H 122 8.045 nan 8.045 1
2 573 . 1 1 1 A 122 122 ALA H H 122 8.045 7.997 0.048 1
2 574 . 1 1 1 A 122 122 ALA C C 122 177.611 176.473 1.138 1
2 575 . 1 1 1 A 122 122 ALA CA C 122 52.560 52.515 0.045 1
2 576 . 1 1 1 A 122 122 ALA CB C 122 19.818 20.034 -0.216 1
2 577 . 1 1 1 A 122 122 ALA N N 122 123.772 123.658 0.114 1
2 578 . 1 1 1 A 123 123 LYS H H 123 8.258 nan 8.258 1
2 578 . 1 1 1 A 123 123 LYS H H 123 8.258 8.489 -0.231 1
2 579 . 1 1 1 A 123 123 LYS C C 123 176.404 175.343 1.061 1
2 580 . 1 1 1 A 123 123 LYS CA C 123 56.545 55.667 0.878 1
2 581 . 1 1 1 A 123 123 LYS CB C 123 33.151 33.441 -0.290 1
2 582 . 1 1 1 A 123 123 LYS N N 123 121.001 122.692 -1.691 1
2 583 . 1 1 1 A 124 124 ILE H H 124 8.142 nan 8.142 1
2 583 . 1 1 1 A 124 124 ILE H H 124 8.142 9.085 -0.943 1
2 584 . 1 1 1 A 124 124 ILE C C 124 176.171 175.626 0.545 1
2 585 . 1 1 1 A 124 124 ILE CA C 124 61.221 60.011 1.210 1
2 586 . 1 1 1 A 124 124 ILE CB C 124 38.877 39.494 -0.617 1
2 587 . 1 1 1 A 124 124 ILE N N 124 122.933 128.550 -5.617 1
2 588 . 1 1 1 A 125 125 VAL H H 125 8.143 nan 8.143 1
2 588 . 1 1 1 A 125 125 VAL H H 125 8.143 8.549 -0.406 1
2 589 . 1 1 1 A 125 125 VAL C C 125 176.355 175.598 0.757 1
2 590 . 1 1 1 A 125 125 VAL CA C 125 62.457 59.836 2.621 1
2 591 . 1 1 1 A 125 125 VAL CB C 125 32.995 35.250 -2.255 1
2 592 . 1 1 1 A 125 125 VAL N N 125 124.551 121.830 2.721 1
2 593 . 1 1 1 A 126 126 GLY H H 126 8.288 nan 8.288 1
2 593 . 1 1 1 A 126 126 GLY H H 126 8.288 8.616 -0.328 1
2 594 . 1 1 1 A 126 126 GLY C C 126 173.891 175.246 -1.355 1
2 595 . 1 1 1 A 126 126 GLY CA C 126 45.314 45.918 -0.604 1
2 596 . 1 1 1 A 126 126 GLY N N 126 112.715 113.972 -1.257 1
2 597 . 1 1 1 A 127 127 SER H H 127 8.101 nan 8.101 1
2 597 . 1 1 1 A 127 127 SER H H 127 8.101 8.163 -0.062 1
2 598 . 1 1 1 A 127 127 SER C C 127 174.304 174.042 0.262 1
2 599 . 1 1 1 A 127 127 SER CA C 127 58.321 58.814 -0.493 1
2 600 . 1 1 1 A 127 127 SER CB C 127 63.969 64.917 -0.948 1
2 601 . 1 1 1 A 127 127 SER N N 127 115.781 115.637 0.144 1
2 602 . 1 1 1 A 128 128 TRP H H 128 8.142 nan 8.142 1
2 602 . 1 1 1 A 128 128 TRP H H 128 8.142 8.612 -0.470 1
2 603 . 1 1 1 A 128 128 TRP C C 128 176.171 174.309 1.862 1
2 604 . 1 1 1 A 128 128 TRP CA C 128 57.593 56.165 1.428 1
2 605 . 1 1 1 A 128 128 TRP CB C 128 29.930 33.299 -3.369 1
2 606 . 1 1 1 A 128 128 TRP N N 128 122.933 125.665 -2.732 1
2 607 . 1 1 1 A 129 129 SER H H 129 8.087 nan 8.087 1
2 607 . 1 1 1 A 129 129 SER H H 129 8.087 8.620 -0.533 1
2 608 . 1 1 1 A 129 129 SER C C 129 174.776 176.974 -2.198 1
2 609 . 1 1 1 A 129 129 SER CA C 129 58.315 58.628 -0.313 1
2 610 . 1 1 1 A 129 129 SER CB C 129 64.084 63.311 0.773 1
2 611 . 1 1 1 A 129 129 SER N N 129 116.897 121.004 -4.107 1
2 612 . 1 1 1 A 130 130 THR H H 130 8.126 nan 8.126 1
2 612 . 1 1 1 A 130 130 THR H H 130 8.126 8.577 -0.451 1
2 613 . 1 1 1 A 130 130 THR C C 130 174.465 175.113 -0.648 1
2 614 . 1 1 1 A 130 130 THR CA C 130 62.008 62.948 -0.940 1
2 615 . 1 1 1 A 130 130 THR CB C 130 69.788 69.277 0.511 1
2 616 . 1 1 1 A 130 130 THR N N 130 115.163 117.674 -2.511 1
2 617 . 1 1 1 A 131 131 ASP H H 131 8.284 nan 8.284 1
2 617 . 1 1 1 A 131 131 ASP H H 131 8.284 7.532 0.752 1
2 618 . 1 1 1 A 131 131 ASP C C 131 176.472 177.490 -1.018 1
2 619 . 1 1 1 A 131 131 ASP CA C 131 54.665 56.207 -1.542 1
2 620 . 1 1 1 A 131 131 ASP CB C 131 41.598 40.203 1.395 1
2 621 . 1 1 1 A 131 131 ASP N N 131 122.054 124.710 -2.656 1
2 622 . 1 1 1 A 132 132 GLY H H 132 8.205 nan 8.205 1
2 622 . 1 1 1 A 132 132 GLY H H 132 8.205 8.742 -0.537 1
2 623 . 1 1 1 A 132 132 GLY C C 132 173.879 173.132 0.747 1
2 624 . 1 1 1 A 132 132 GLY CA C 132 45.519 45.254 0.265 1
2 625 . 1 1 1 A 132 132 GLY N N 132 108.935 110.990 -2.055 1
2 626 . 1 1 1 A 133 133 TYR H H 133 8.040 nan 8.040 1
2 626 . 1 1 1 A 133 133 TYR H H 133 8.040 7.807 0.233 1
2 627 . 1 1 1 A 133 133 TYR C C 133 175.933 174.989 0.944 1
2 628 . 1 1 1 A 133 133 TYR CA C 133 58.242 57.248 0.994 1
2 629 . 1 1 1 A 133 133 TYR CB C 133 39.239 42.566 -3.327 1
2 630 . 1 1 1 A 133 133 TYR N N 133 120.381 118.735 1.646 1
2 631 . 1 1 1 A 134 134 GLU H H 134 8.391 nan 8.391 1
2 631 . 1 1 1 A 134 134 GLU H H 134 8.391 8.667 -0.276 1
2 632 . 1 1 1 A 134 134 GLU C C 134 175.942 175.520 0.422 1
2 633 . 1 1 1 A 134 134 GLU CA C 134 56.689 55.710 0.979 1
2 634 . 1 1 1 A 134 134 GLU CB C 134 30.345 30.685 -0.340 1
2 635 . 1 1 1 A 134 134 GLU N N 134 122.494 122.657 -0.163 1
2 636 . 1 1 1 A 135 135 PHE H H 135 8.018 nan 8.018 1
2 636 . 1 1 1 A 135 135 PHE H H 135 8.018 8.471 -0.453 1
2 637 . 1 1 1 A 135 135 PHE C C 135 175.766 174.056 1.710 1
2 638 . 1 1 1 A 135 135 PHE CA C 135 58.045 56.158 1.887 1
2 639 . 1 1 1 A 135 135 PHE CB C 135 39.706 40.418 -0.712 1
2 640 . 1 1 1 A 135 135 PHE N N 135 120.472 120.847 -0.375 1
2 641 . 1 1 1 A 136 136 GLU H H 136 8.326 nan 8.326 1
2 641 . 1 1 1 A 136 136 GLU H H 136 8.326 9.086 -0.760 1
2 642 . 1 1 1 A 136 136 GLU C C 136 176.253 176.715 -0.462 1
2 643 . 1 1 1 A 136 136 GLU CA C 136 56.639 57.863 -1.224 1
2 644 . 1 1 1 A 136 136 GLU CB C 136 30.574 31.597 -1.023 1
2 645 . 1 1 1 A 136 136 GLU N N 136 122.288 119.358 2.930 1
2 646 . 1 1 1 A 137 137 SER H H 137 8.286 nan 8.286 1
2 646 . 1 1 1 A 137 137 SER H H 137 8.286 8.053 0.233 1
2 647 . 1 1 1 A 137 137 SER C C 137 174.765 173.139 1.626 1
2 648 . 1 1 1 A 137 137 SER CA C 137 58.362 57.601 0.761 1
2 649 . 1 1 1 A 137 137 SER CB C 137 64.066 66.303 -2.237 1
2 650 . 1 1 1 A 137 137 SER N N 137 116.875 112.073 4.802 1
2 651 . 1 1 1 A 138 138 SER H H 138 8.392 nan 8.392 1
2 651 . 1 1 1 A 138 138 SER H H 138 8.392 8.653 -0.261 1
2 652 . 1 1 1 A 138 138 SER C C 138 174.569 173.669 0.900 1
2 653 . 1 1 1 A 138 138 SER CA C 138 58.780 56.556 2.224 1
2 654 . 1 1 1 A 138 138 SER CB C 138 64.009 65.561 -1.552 1
2 655 . 1 1 1 A 138 138 SER N N 138 118.245 115.933 2.312 1
2 656 . 1 1 1 A 139 139 GLU H H 139 8.366 nan 8.366 1
2 656 . 1 1 1 A 139 139 GLU H H 139 8.366 8.628 -0.262 1
2 657 . 1 1 1 A 139 139 GLU C C 139 176.076 177.213 -1.137 1
2 658 . 1 1 1 A 139 139 GLU CA C 139 56.691 57.563 -0.872 1
2 659 . 1 1 1 A 139 139 GLU CB C 139 30.424 29.663 0.761 1
2 660 . 1 1 1 A 139 139 GLU N N 139 122.463 127.524 -5.061 1
2 661 . 1 1 1 A 140 140 ALA H H 140 8.174 nan 8.174 1
2 661 . 1 1 1 A 140 140 ALA H H 140 8.174 7.772 0.402 1
2 662 . 1 1 1 A 140 140 ALA C C 140 177.454 176.613 0.841 1
2 663 . 1 1 1 A 140 140 ALA CA C 140 52.648 51.899 0.749 1
2 664 . 1 1 1 A 140 140 ALA CB C 140 19.570 19.623 -0.053 1
2 665 . 1 1 1 A 140 140 ALA N N 140 124.504 121.803 2.701 1
2 666 . 1 1 1 A 141 141 VAL H H 141 7.981 nan 7.981 1
2 666 . 1 1 1 A 141 141 VAL H H 141 7.981 7.682 0.299 1
2 667 . 1 1 1 A 141 141 VAL C C 141 176.196 175.006 1.190 1
2 668 . 1 1 1 A 141 141 VAL CA C 141 62.388 61.713 0.675 1
2 669 . 1 1 1 A 141 141 VAL CB C 141 32.867 33.089 -0.222 1
2 670 . 1 1 1 A 141 141 VAL N N 141 119.670 119.484 0.186 1
2 671 . 1 1 1 A 142 142 VAL H H 142 8.148 nan 8.148 1
2 671 . 1 1 1 A 142 142 VAL H H 142 8.148 8.833 -0.685 1
2 672 . 1 1 1 A 142 142 VAL C C 142 175.717 175.744 -0.027 1
2 673 . 1 1 1 A 142 142 VAL CA C 142 62.304 61.135 1.169 1
2 674 . 1 1 1 A 142 142 VAL CB C 142 32.997 34.143 -1.146 1
2 675 . 1 1 1 A 142 142 VAL N N 142 123.550 127.075 -3.525 1
2 676 . 1 1 1 A 143 143 ASP H H 143 8.401 nan 8.401 1
2 676 . 1 1 1 A 143 143 ASP H H 143 8.401 9.506 -1.105 1
2 677 . 1 1 1 A 143 143 ASP C C 143 176.486 176.289 0.197 1
2 678 . 1 1 1 A 143 143 ASP CA C 143 54.455 55.476 -1.021 1
2 679 . 1 1 1 A 143 143 ASP CB C 143 41.545 39.689 1.856 1
2 680 . 1 1 1 A 143 143 ASP N N 143 124.381 129.588 -5.207 1
2 681 . 1 1 1 A 144 144 GLY H H 144 8.246 nan 8.246 1
2 681 . 1 1 1 A 144 144 GLY H H 144 8.246 8.646 -0.400 1
2 682 . 1 1 1 A 144 144 GLY C C 144 173.996 173.564 0.432 1
2 683 . 1 1 1 A 144 144 GLY CA C 144 45.719 46.209 -0.490 1
2 684 . 1 1 1 A 144 144 GLY N N 144 108.940 103.682 5.258 1
2 685 . 1 1 1 A 145 145 LYS H H 145 8.082 nan 8.082 1
2 685 . 1 1 1 A 145 145 LYS H H 145 8.082 7.629 0.453 1
2 686 . 1 1 1 A 145 145 LYS C C 145 176.247 174.387 1.860 1
2 687 . 1 1 1 A 145 145 LYS CA C 145 56.689 55.071 1.618 1
2 688 . 1 1 1 A 145 145 LYS CB C 145 33.222 35.917 -2.695 1
2 689 . 1 1 1 A 145 145 LYS N N 145 120.956 118.437 2.519 1
2 690 . 1 1 1 A 146 146 PHE H H 146 8.297 nan 8.297 1
2 690 . 1 1 1 A 146 146 PHE H H 146 8.297 8.613 -0.316 1
2 691 . 1 1 1 A 146 146 PHE C C 146 175.766 177.272 -1.506 1
2 692 . 1 1 1 A 146 146 PHE CA C 146 57.761 58.671 -0.910 1
2 693 . 1 1 1 A 146 146 PHE CB C 146 39.722 39.441 0.281 1
2 694 . 1 1 1 A 146 146 PHE N N 146 121.177 124.954 -3.777 1
2 695 . 1 1 1 A 147 147 VAL H H 147 7.947 nan 7.947 1
2 695 . 1 1 1 A 147 147 VAL H H 147 7.947 8.507 -0.560 1
2 696 . 1 1 1 A 147 147 VAL C C 147 176.170 175.858 0.312 1
2 697 . 1 1 1 A 147 147 VAL CA C 147 62.478 64.056 -1.578 1
2 698 . 1 1 1 A 147 147 VAL CB C 147 33.080 31.670 1.410 1
2 699 . 1 1 1 A 147 147 VAL N N 147 121.808 119.918 1.890 1
2 700 . 1 1 1 A 148 148 GLY H H 148 8.000 nan 8.000 1
2 700 . 1 1 1 A 148 148 GLY H H 148 8.000 7.720 0.280 1
2 701 . 1 1 1 A 148 148 GLY C C 148 173.767 172.557 1.210 1
2 702 . 1 1 1 A 148 148 GLY CA C 148 45.482 45.029 0.453 1
2 703 . 1 1 1 A 148 148 GLY N N 148 111.846 109.776 2.070 1
2 704 . 1 1 1 A 149 149 LEU H H 149 8.052 nan 8.052 1
2 704 . 1 1 1 A 149 149 LEU H H 149 8.052 8.143 -0.091 1
2 705 . 1 1 1 A 149 149 LEU C C 149 177.093 175.394 1.699 1
2 706 . 1 1 1 A 149 149 LEU CA C 149 55.480 55.381 0.099 1
2 707 . 1 1 1 A 149 149 LEU CB C 149 42.635 41.080 1.555 1
2 708 . 1 1 1 A 149 149 LEU N N 149 121.989 121.580 0.409 1
2 709 . 1 1 1 A 150 150 ALA H H 150 8.316 nan 8.316 1
2 709 . 1 1 1 A 150 150 ALA H H 150 8.316 8.591 -0.275 1
2 710 . 1 1 1 A 150 150 ALA C C 150 177.532 176.198 1.334 1
2 711 . 1 1 1 A 150 150 ALA CA C 150 52.631 49.850 2.781 1
2 712 . 1 1 1 A 150 150 ALA CB C 150 19.249 19.769 -0.520 1
2 713 . 1 1 1 A 150 150 ALA N N 150 124.935 128.407 -3.472 1
2 714 . 1 1 1 A 151 151 LEU H H 151 8.091 nan 8.091 1
2 714 . 1 1 1 A 151 151 LEU H H 151 8.091 9.152 -1.061 1
2 715 . 1 1 1 A 151 151 LEU C C 151 177.056 175.840 1.216 1
2 716 . 1 1 1 A 151 151 LEU CA C 151 55.471 53.633 1.838 1
2 717 . 1 1 1 A 151 151 LEU CB C 151 42.610 46.285 -3.675 1
2 718 . 1 1 1 A 151 151 LEU N N 151 121.237 123.632 -2.395 1
2 719 . 1 1 1 A 152 152 ASP H H 152 8.332 nan 8.332 1
2 719 . 1 1 1 A 152 152 ASP H H 152 8.332 8.604 -0.272 1
2 720 . 1 1 1 A 152 152 ASP C C 152 176.236 175.744 0.492 1
2 721 . 1 1 1 A 152 152 ASP CA C 152 54.237 54.059 0.178 1
2 722 . 1 1 1 A 152 152 ASP CB C 152 41.090 42.054 -0.964 1
2 723 . 1 1 1 A 152 152 ASP N N 152 120.798 120.824 -0.026 1
2 724 . 1 1 1 A 153 153 LEU H H 153 8.048 nan 8.048 1
2 724 . 1 1 1 A 153 153 LEU H H 153 8.048 8.757 -0.709 1
2 725 . 1 1 1 A 153 153 LEU C C 153 177.330 177.554 -0.224 1
2 726 . 1 1 1 A 153 153 LEU CA C 153 55.480 55.057 0.423 1
2 727 . 1 1 1 A 153 153 LEU CB C 153 42.635 41.710 0.925 1
2 728 . 1 1 1 A 153 153 LEU N N 153 122.053 126.037 -3.984 1
2 729 . 1 1 1 A 154 154 ASP H H 154 8.325 nan 8.325 1
2 729 . 1 1 1 A 154 154 ASP H H 154 8.325 8.087 0.238 1
2 730 . 1 1 1 A 154 154 ASP C C 154 176.121 177.741 -1.620 1
2 731 . 1 1 1 A 154 154 ASP CA C 154 54.658 56.262 -1.604 1
2 732 . 1 1 1 A 154 154 ASP CB C 154 41.401 41.790 -0.389 1
2 733 . 1 1 1 A 154 154 ASP N N 154 120.292 119.472 0.820 1
2 734 . 1 1 1 A 155 155 ASN H H 155 8.251 nan 8.251 1
2 734 . 1 1 1 A 155 155 ASN H H 155 8.251 8.153 0.098 1
2 735 . 1 1 1 A 155 155 ASN C C 155 175.481 175.494 -0.013 1
2 736 . 1 1 1 A 155 155 ASN CA C 155 53.483 53.447 0.036 1
2 737 . 1 1 1 A 155 155 ASN CB C 155 39.208 40.048 -0.840 1
2 738 . 1 1 1 A 155 155 ASN N N 155 118.991 113.131 5.860 1
2 739 . 1 1 1 A 156 156 GLN H H 156 8.384 nan 8.384 1
2 739 . 1 1 1 A 156 156 GLN H H 156 8.384 7.736 0.648 1
2 740 . 1 1 1 A 156 156 GLN C C 156 176.202 175.512 0.690 1
2 741 . 1 1 1 A 156 156 GLN CA C 156 56.283 54.864 1.419 1
2 742 . 1 1 1 A 156 156 GLN CB C 156 29.531 29.547 -0.016 1
2 743 . 1 1 1 A 156 156 GLN N N 156 120.351 118.660 1.691 1
2 744 . 1 1 1 A 157 157 SER H H 157 8.322 nan 8.322 1
2 744 . 1 1 1 A 157 157 SER H H 157 8.322 8.224 0.098 1
2 745 . 1 1 1 A 157 157 SER C C 157 175.071 176.464 -1.393 1
2 746 . 1 1 1 A 157 157 SER CA C 157 58.738 61.074 -2.336 1
2 747 . 1 1 1 A 157 157 SER CB C 157 63.970 62.978 0.992 1
2 748 . 1 1 1 A 157 157 SER N N 157 116.551 115.209 1.342 1
2 749 . 1 1 1 A 158 158 GLY H H 158 8.428 nan 8.428 1
2 749 . 1 1 1 A 158 158 GLY H H 158 8.428 8.450 -0.022 1
2 750 . 1 1 1 A 158 158 GLY C C 158 174.118 174.854 -0.736 1
2 751 . 1 1 1 A 158 158 GLY CA C 158 45.519 46.608 -1.089 1
2 752 . 1 1 1 A 158 158 GLY N N 158 111.154 110.332 0.822 1
2 753 . 1 1 1 A 159 159 LYS H H 159 8.177 nan 8.177 1
2 753 . 1 1 1 A 159 159 LYS H H 159 8.177 7.958 0.219 1
2 754 . 1 1 1 A 159 159 LYS C C 159 176.992 176.970 0.022 1
2 755 . 1 1 1 A 159 159 LYS CA C 159 56.590 56.021 0.569 1
2 756 . 1 1 1 A 159 159 LYS CB C 159 33.306 32.893 0.413 1
2 757 . 1 1 1 A 159 159 LYS N N 159 121.137 118.948 2.189 1
2 758 . 1 1 1 A 160 160 THR H H 160 8.180 nan 8.180 1
2 758 . 1 1 1 A 160 160 THR H H 160 8.180 7.682 0.498 1
2 759 . 1 1 1 A 160 160 THR C C 160 174.263 176.084 -1.821 1
2 760 . 1 1 1 A 160 160 THR CA C 160 61.972 67.387 -5.415 1
2 761 . 1 1 1 A 160 160 THR CB C 160 69.996 68.503 1.493 1
2 762 . 1 1 1 A 160 160 THR N N 160 115.144 115.519 -0.375 1
2 763 . 1 1 1 A 161 161 ASP H H 161 8.389 nan 8.389 1
2 763 . 1 1 1 A 161 161 ASP H H 161 8.389 8.410 -0.021 1
2 764 . 1 1 1 A 161 161 ASP C C 161 176.250 178.768 -2.518 1
2 765 . 1 1 1 A 161 161 ASP CA C 161 54.520 57.438 -2.918 1
2 766 . 1 1 1 A 161 161 ASP CB C 161 41.436 39.925 1.511 1
2 767 . 1 1 1 A 161 161 ASP N N 161 122.977 119.785 3.192 1
2 768 . 1 1 1 A 162 162 GLU H H 162 8.386 nan 8.386 1
2 768 . 1 1 1 A 162 162 GLU H H 162 8.386 8.357 0.029 1
2 769 . 1 1 1 A 162 162 GLU C C 162 176.681 179.185 -2.504 1
2 770 . 1 1 1 A 162 162 GLU CA C 162 57.098 59.749 -2.651 1
2 771 . 1 1 1 A 162 162 GLU CB C 162 30.345 29.234 1.111 1
2 772 . 1 1 1 A 162 162 GLU N N 162 121.785 120.588 1.197 1
2 773 . 1 1 1 A 163 163 ARG H H 163 8.341 nan 8.341 1
2 773 . 1 1 1 A 163 163 ARG H H 163 8.341 7.870 0.471 1
2 774 . 1 1 1 A 163 163 ARG C C 163 176.746 178.275 -1.529 1
2 775 . 1 1 1 A 163 163 ARG CA C 163 56.782 59.532 -2.750 1
2 776 . 1 1 1 A 163 163 ARG CB C 163 30.756 30.640 0.116 1
2 777 . 1 1 1 A 163 163 ARG N N 163 121.930 119.495 2.435 1
2 778 . 1 1 1 A 164 164 VAL H H 164 8.004 nan 8.004 1
2 778 . 1 1 1 A 164 164 VAL H H 164 8.004 8.316 -0.312 1
2 779 . 1 1 1 A 164 164 VAL C C 164 176.053 178.267 -2.214 1
2 780 . 1 1 1 A 164 164 VAL CA C 164 62.811 66.405 -3.594 1
2 781 . 1 1 1 A 164 164 VAL CB C 164 32.783 31.430 1.353 1
2 782 . 1 1 1 A 164 164 VAL N N 164 120.964 119.701 1.263 1
2 783 . 1 1 1 A 165 165 ALA H H 165 8.202 nan 8.202 1
2 783 . 1 1 1 A 165 165 ALA H H 165 8.202 8.735 -0.533 1
2 784 . 1 1 1 A 165 165 ALA C C 165 178.080 179.386 -1.306 1
2 785 . 1 1 1 A 165 165 ALA CA C 165 53.014 55.419 -2.405 1
2 786 . 1 1 1 A 165 165 ALA CB C 165 19.063 18.181 0.882 1
2 787 . 1 1 1 A 165 165 ALA N N 165 126.652 122.215 4.437 1
2 788 . 1 1 1 A 166 166 ALA H H 166 8.178 nan 8.178 1
2 788 . 1 1 1 A 166 166 ALA H H 166 8.178 8.113 0.065 1
2 789 . 1 1 1 A 166 166 ALA C C 166 178.207 179.970 -1.763 1
2 790 . 1 1 1 A 166 166 ALA CA C 166 53.576 55.531 -1.955 1
2 791 . 1 1 1 A 166 166 ALA CB C 166 19.105 18.554 0.551 1
2 792 . 1 1 1 A 166 166 ALA N N 166 122.995 119.644 3.351 1
2 793 . 1 1 1 A 167 167 TRP H H 167 7.827 nan 7.827 1
2 793 . 1 1 1 A 167 167 TRP H H 167 7.827 7.821 0.006 1
2 794 . 1 1 1 A 167 167 TRP C C 167 176.645 178.324 -1.679 1
2 795 . 1 1 1 A 167 167 TRP CA C 167 58.070 61.626 -3.556 1
2 796 . 1 1 1 A 167 167 TRP CB C 167 29.185 29.559 -0.374 1
2 797 . 1 1 1 A 167 167 TRP N N 167 118.667 120.765 -2.098 1
2 798 . 1 1 1 A 168 168 LEU H H 168 7.747 nan 7.747 1
2 798 . 1 1 1 A 168 168 LEU H H 168 7.747 8.238 -0.491 1
2 799 . 1 1 1 A 168 168 LEU C C 168 177.184 179.084 -1.900 1
2 800 . 1 1 1 A 168 168 LEU CA C 168 55.538 57.610 -2.072 1
2 801 . 1 1 1 A 168 168 LEU CB C 168 42.502 41.631 0.871 1
2 802 . 1 1 1 A 168 168 LEU N N 168 122.386 120.285 2.101 1
2 803 . 1 1 1 A 169 169 ALA H H 169 7.856 nan 7.856 1
2 803 . 1 1 1 A 169 169 ALA H H 169 7.856 8.417 -0.561 1
2 804 . 1 1 1 A 169 169 ALA C C 169 177.815 179.312 -1.497 1
2 805 . 1 1 1 A 169 169 ALA CA C 169 53.002 55.203 -2.201 1
2 806 . 1 1 1 A 169 169 ALA CB C 169 19.357 18.222 1.135 1
2 807 . 1 1 1 A 169 169 ALA N N 169 122.999 121.880 1.119 1
2 808 . 1 1 1 A 170 170 GLN H H 170 8.043 nan 8.043 1
2 808 . 1 1 1 A 170 170 GLN H H 170 8.043 8.106 -0.063 1
2 809 . 1 1 1 A 170 170 GLN C C 170 175.944 178.242 -2.298 1
2 810 . 1 1 1 A 170 170 GLN CA C 170 56.100 58.796 -2.696 1
2 811 . 1 1 1 A 170 170 GLN CB C 170 29.556 28.346 1.210 1
2 812 . 1 1 1 A 170 170 GLN N N 170 118.374 118.127 0.247 1
2 813 . 1 1 1 A 171 171 ILE H H 171 7.878 nan 7.878 1
2 813 . 1 1 1 A 171 171 ILE H H 171 7.878 7.668 0.210 1
2 814 . 1 1 1 A 171 171 ILE C C 171 175.511 177.855 -2.344 1
2 815 . 1 1 1 A 171 171 ILE CA C 171 61.049 62.536 -1.487 1
2 816 . 1 1 1 A 171 171 ILE CB C 171 38.938 37.555 1.383 1
2 817 . 1 1 1 A 171 171 ILE N N 171 120.445 117.655 2.790 1
2 818 . 1 1 1 A 172 172 ALA H H 172 8.216 nan 8.216 1
2 818 . 1 1 1 A 172 172 ALA H H 172 8.216 8.002 0.214 1
2 819 . 1 1 1 A 172 172 ALA C C 172 175.358 176.122 -0.764 1
2 820 . 1 1 1 A 172 172 ALA CA C 172 50.833 57.239 -6.406 1
2 821 . 1 1 1 A 172 172 ALA CB C 172 18.439 16.693 1.746 1
2 822 . 1 1 1 A 172 172 ALA N N 172 128.570 126.184 2.386 1
2 823 . 1 1 1 A 173 173 PRO C C 173 176.971 178.771 -1.800 1
2 824 . 1 1 1 A 173 173 PRO CA C 173 63.347 66.523 -3.176 1
2 825 . 1 1 1 A 173 173 PRO CB C 173 32.237 30.903 1.334 1
2 826 . 1 1 1 A 174 174 GLU H H 174 8.481 nan 8.481 1
2 826 . 1 1 1 A 174 174 GLU H H 174 8.481 9.091 -0.610 1
2 827 . 1 1 1 A 174 174 GLU C C 174 176.253 177.547 -1.294 1
2 828 . 1 1 1 A 174 174 GLU CA C 174 57.040 58.702 -1.662 1
2 829 . 1 1 1 A 174 174 GLU CB C 174 30.123 29.168 0.955 1
2 830 . 1 1 1 A 174 174 GLU N N 174 120.537 117.365 3.172 1
2 831 . 1 1 1 A 175 175 PHE H H 175 8.093 nan 8.093 1
2 831 . 1 1 1 A 175 175 PHE H H 175 8.093 7.582 0.511 1
2 832 . 1 1 1 A 175 175 PHE C C 175 176.283 175.160 1.123 1
2 833 . 1 1 1 A 175 175 PHE CA C 175 57.920 57.597 0.323 1
2 834 . 1 1 1 A 175 175 PHE CB C 175 39.785 39.161 0.624 1
2 835 . 1 1 1 A 175 175 PHE N N 175 120.150 116.651 3.499 1
2 836 . 1 1 1 A 176 176 GLY H H 176 8.288 nan 8.288 1
2 836 . 1 1 1 A 176 176 GLY H H 176 8.288 8.037 0.251 1
2 837 . 1 1 1 A 176 176 GLY C C 176 173.875 174.774 -0.899 1
2 838 . 1 1 1 A 176 176 GLY CA C 176 45.575 46.529 -0.954 1
2 839 . 1 1 1 A 176 176 GLY N N 176 110.265 109.457 0.808 1
2 840 . 1 1 1 A 177 177 LEU H H 177 8.021 nan 8.021 1
2 840 . 1 1 1 A 177 177 LEU H H 177 8.021 8.003 0.018 1
2 841 . 1 1 1 A 177 177 LEU C C 177 177.298 177.807 -0.509 1
2 842 . 1 1 1 A 177 177 LEU CA C 177 55.269 54.292 0.977 1
2 843 . 1 1 1 A 177 177 LEU CB C 177 42.753 42.532 0.221 1
2 844 . 1 1 1 A 177 177 LEU N N 177 121.604 121.423 0.181 1
2 845 . 1 1 1 A 178 178 SER H H 178 8.304 nan 8.304 1
2 845 . 1 1 1 A 178 178 SER H H 178 8.304 8.780 -0.476 1
2 846 . 1 1 1 A 178 178 SER C C 178 173.712 175.795 -2.083 1
2 847 . 1 1 1 A 178 178 SER CA C 178 58.193 59.411 -1.218 1
2 848 . 1 1 1 A 178 178 SER CB C 178 63.939 63.678 0.261 1
2 849 . 1 1 1 A 178 178 SER N N 178 117.351 115.815 1.536 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 177 1.460 1
2 1 1 1 "RMS(OBS, PRED)" CA 177 2.123 1
3 1 1 1 "RMS(OBS, PRED)" CB 156 1.499 1
4 1 1 1 "RMS(OBS, PRED)" H 172 nan 1
5 1 1 1 "RMS(OBS, PRED)" HA 0 0.000 1
6 1 1 1 "RMS(OBS, PRED)" N 172 3.088 1
7 2 1 1 "RMS(OBS, PRED)" C 177 1.439 1
8 2 1 1 "RMS(OBS, PRED)" CA 177 2.062 1
9 2 1 1 "RMS(OBS, PRED)" CB 153 1.498 1
10 2 1 1 "RMS(OBS, PRED)" H 171 0.465 1
11 2 1 1 "RMS(OBS, PRED)" HA 0 0.000 1
12 2 1 1 "RMS(OBS, PRED)" N 171 2.938 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 4 . 1 1 A 2 2 LYS H H 2 8.595 0.000 8.595 2
1 5 . 1 1 A 2 2 LYS C C 2 176.796 176.133 0.663 2
1 6 . 1 1 A 2 2 LYS CA C 2 56.551 57.528 -0.977 2
1 7 . 1 1 A 2 2 LYS N N 2 122.309 118.643 3.666 2
1 8 . 1 1 A 3 3 ILE H H 3 8.176 3.979 4.197 2
1 9 . 1 1 A 3 3 ILE C C 3 176.989 175.374 1.615 2
1 10 . 1 1 A 3 3 ILE CA C 3 61.399 59.426 1.973 2
1 11 . 1 1 A 3 3 ILE CB C 3 39.143 38.774 0.369 2
1 12 . 1 1 A 3 3 ILE N N 3 122.499 119.949 2.550 2
1 13 . 1 1 A 4 4 GLY H H 4 8.393 4.554 3.838 2
1 14 . 1 1 A 4 4 GLY C C 4 174.158 171.532 2.626 2
1 15 . 1 1 A 4 4 GLY CA C 4 45.487 44.381 1.106 2
1 16 . 1 1 A 4 4 GLY N N 4 113.499 115.347 -1.848 2
1 17 . 1 1 A 5 5 LEU H H 5 7.985 4.446 3.539 2
1 18 . 1 1 A 5 5 LEU C C 5 177.279 174.305 2.974 2
1 19 . 1 1 A 5 5 LEU CA C 5 55.328 53.069 2.259 2
1 20 . 1 1 A 5 5 LEU CB C 5 42.801 44.120 -1.319 2
1 21 . 1 1 A 5 5 LEU N N 5 122.526 125.710 -3.184 2
1 22 . 1 1 A 6 6 PHE H H 6 8.168 4.476 3.692 2
1 23 . 1 1 A 6 6 PHE C C 6 175.997 174.809 1.188 2
1 24 . 1 1 A 6 6 PHE CA C 6 57.617 56.373 1.244 2
1 25 . 1 1 A 6 6 PHE CB C 6 40.040 43.749 -3.709 2
1 26 . 1 1 A 6 6 PHE N N 6 120.913 125.952 -5.039 2
1 27 . 1 1 A 7 7 PHE H H 7 8.246 4.593 3.653 2
1 28 . 1 1 A 7 7 PHE C C 7 176.635 173.116 3.519 2
1 29 . 1 1 A 7 7 PHE CA C 7 57.955 55.830 2.125 2
1 30 . 1 1 A 7 7 PHE CB C 7 40.042 42.106 -2.064 2
1 31 . 1 1 A 7 7 PHE N N 7 122.468 117.850 4.618 2
1 32 . 1 1 A 8 8 GLY H H 8 8.062 4.189 3.873 2
1 33 . 1 1 A 8 8 GLY C C 8 174.537 172.485 2.052 2
1 34 . 1 1 A 8 8 GLY CA C 8 45.627 44.461 1.166 2
1 35 . 1 1 A 8 8 GLY N N 8 110.508 106.885 3.623 2
1 36 . 1 1 A 9 9 SER H H 9 8.241 4.394 3.847 2
1 37 . 1 1 A 9 9 SER C C 9 175.080 173.769 1.311 2
1 38 . 1 1 A 9 9 SER CA C 9 58.529 57.167 1.362 2
1 39 . 1 1 A 9 9 SER CB C 9 64.246 64.786 -0.540 2
1 40 . 1 1 A 9 9 SER N N 9 116.209 117.012 -0.803 2
1 41 . 1 1 A 10 10 ASN H H 10 8.625 4.418 4.207 2
1 42 . 1 1 A 10 10 ASN C C 10 176.000 176.188 -0.188 2
1 43 . 1 1 A 10 10 ASN CA C 10 53.492 54.189 -0.697 2
1 44 . 1 1 A 10 10 ASN CB C 10 39.110 40.728 -1.618 2
1 45 . 1 1 A 10 10 ASN N N 10 121.604 123.060 -1.456 2
1 46 . 1 1 A 11 11 THR H H 11 8.067 3.975 4.091 2
1 47 . 1 1 A 11 11 THR C C 11 175.674 175.078 0.596 2
1 48 . 1 1 A 11 11 THR CA C 11 62.003 61.088 0.915 2
1 49 . 1 1 A 11 11 THR CB C 11 70.119 69.254 0.865 2
1 50 . 1 1 A 11 11 THR N N 11 113.342 108.712 4.630 2
1 51 . 1 1 A 12 12 GLY H H 12 8.399 3.942 4.457 2
1 52 . 1 1 A 12 12 GLY C C 12 174.548 175.525 -0.977 2
1 53 . 1 1 A 12 12 GLY CA C 12 45.600 45.381 0.219 2
1 54 . 1 1 A 12 12 GLY N N 12 111.692 110.207 1.485 2
1 55 . 1 1 A 13 13 LYS H H 13 8.172 4.155 4.017 2
1 56 . 1 1 A 13 13 LYS C C 13 177.429 178.827 -1.398 2
1 57 . 1 1 A 13 13 LYS CA C 13 56.657 59.615 -2.958 2
1 58 . 1 1 A 13 13 LYS CB C 13 33.151 31.349 1.802 2
1 59 . 1 1 A 13 13 LYS N N 13 121.446 121.724 -0.278 2
1 60 . 1 1 A 14 14 THR H H 14 8.184 4.098 4.087 2
1 61 . 1 1 A 14 14 THR C C 14 175.096 176.246 -1.150 2
1 62 . 1 1 A 14 14 THR CA C 14 61.917 67.163 -5.246 2
1 63 . 1 1 A 14 14 THR CB C 14 70.227 68.746 1.481 2
1 64 . 1 1 A 14 14 THR N N 14 115.847 116.478 -0.631 2
1 65 . 1 1 A 15 15 ARG H H 15 8.381 4.019 4.362 2
1 66 . 1 1 A 15 15 ARG C C 15 176.651 178.214 -1.563 2
1 67 . 1 1 A 15 15 ARG CA C 15 56.219 59.330 -3.111 2
1 68 . 1 1 A 15 15 ARG CB C 15 31.217 29.404 1.813 2
1 69 . 1 1 A 15 15 ARG N N 15 124.389 119.768 4.621 2
1 70 . 1 1 A 16 16 LYS H H 16 8.385 3.875 4.510 2
1 71 . 1 1 A 16 16 LYS C C 16 177.034 178.589 -1.555 2
1 72 . 1 1 A 16 16 LYS CA C 16 56.569 59.153 -2.584 2
1 73 . 1 1 A 16 16 LYS CB C 16 33.335 32.669 0.666 2
1 74 . 1 1 A 16 16 LYS N N 16 124.076 119.415 4.661 2
1 75 . 1 1 A 17 17 VAL H H 17 8.123 4.028 4.095 2
1 76 . 1 1 A 17 17 VAL C C 17 176.332 177.947 -1.615 2
1 77 . 1 1 A 17 17 VAL CA C 17 62.053 66.127 -4.074 2
1 78 . 1 1 A 17 17 VAL CB C 17 33.182 31.553 1.629 2
1 79 . 1 1 A 17 17 VAL N N 17 121.887 119.222 2.665 2
1 80 . 1 1 A 18 18 ALA H H 18 8.346 4.080 4.266 2
1 81 . 1 1 A 18 18 ALA C C 18 178.094 180.003 -1.909 2
1 82 . 1 1 A 18 18 ALA CA C 18 52.533 55.727 -3.194 2
1 83 . 1 1 A 18 18 ALA CB C 18 19.757 18.184 1.573 2
1 84 . 1 1 A 18 18 ALA N N 18 128.511 122.162 6.349 2
1 85 . 1 1 A 19 19 LYS H H 19 8.296 4.118 4.178 2
1 86 . 1 1 A 19 19 LYS C C 19 177.153 178.909 -1.756 2
1 87 . 1 1 A 19 19 LYS CA C 19 56.645 59.077 -2.432 2
1 88 . 1 1 A 19 19 LYS CB C 19 33.420 31.989 1.431 2
1 89 . 1 1 A 19 19 LYS N N 19 121.808 117.134 4.674 2
1 90 . 1 1 A 20 20 SER H H 20 8.321 3.898 4.423 2
1 91 . 1 1 A 20 20 SER C C 20 175.019 177.277 -2.258 2
1 92 . 1 1 A 20 20 SER CA C 20 58.210 61.299 -3.089 2
1 93 . 1 1 A 20 20 SER CB C 20 64.050 62.668 1.382 2
1 94 . 1 1 A 20 20 SER N N 20 117.647 114.691 2.956 2
1 95 . 1 1 A 21 21 ILE H H 21 8.157 3.949 4.208 2
1 96 . 1 1 A 21 21 ILE C C 21 176.637 177.991 -1.354 2
1 97 . 1 1 A 21 21 ILE CA C 21 61.181 65.242 -4.061 2
1 98 . 1 1 A 21 21 ILE CB C 21 38.917 37.899 1.018 2
1 99 . 1 1 A 21 21 ILE N N 21 123.197 121.873 1.324 2
1 100 . 1 1 A 22 22 LYS H H 22 8.298 4.086 4.212 2
1 101 . 1 1 A 22 22 LYS C C 22 176.913 178.430 -1.517 2
1 102 . 1 1 A 22 22 LYS CA C 22 56.455 58.743 -2.288 2
1 103 . 1 1 A 22 22 LYS CB C 22 33.280 32.227 1.053 2
1 104 . 1 1 A 22 22 LYS N N 22 126.002 120.663 5.339 2
1 105 . 1 1 A 23 23 LYS H H 23 8.303 3.905 4.398 2
1 106 . 1 1 A 23 23 LYS C C 23 176.803 177.845 -1.042 2
1 107 . 1 1 A 23 23 LYS CA C 23 56.511 58.467 -1.956 2
1 108 . 1 1 A 23 23 LYS CB C 23 33.405 31.957 1.448 2
1 109 . 1 1 A 23 23 LYS N N 23 124.046 118.705 5.341 2
1 110 . 1 1 A 24 24 ARG H H 24 8.290 3.948 4.342 2
1 111 . 1 1 A 24 24 ARG C C 24 176.542 175.003 1.539 2
1 112 . 1 1 A 24 24 ARG CA C 24 56.271 55.543 0.728 2
1 113 . 1 1 A 24 24 ARG CB C 24 31.370 30.268 1.102 2
1 114 . 1 1 A 24 24 ARG N N 24 122.968 115.070 7.898 2
1 115 . 1 1 A 25 25 PHE H H 25 8.322 3.735 4.587 2
1 116 . 1 1 A 25 25 PHE C C 25 176.123 174.974 1.149 2
1 117 . 1 1 A 25 25 PHE CA C 25 57.699 56.587 1.112 2
1 118 . 1 1 A 25 25 PHE CB C 25 40.055 43.313 -3.258 2
1 119 . 1 1 A 25 25 PHE N N 25 121.540 119.196 2.344 2
1 120 . 1 1 A 26 26 ASP H H 26 8.436 4.314 4.122 2
1 121 . 1 1 A 26 26 ASP C C 26 176.328 176.614 -0.286 2
1 122 . 1 1 A 26 26 ASP CA C 26 54.421 54.650 -0.229 2
1 123 . 1 1 A 26 26 ASP CB C 26 41.638 41.953 -0.315 2
1 124 . 1 1 A 26 26 ASP N N 26 122.221 122.966 -0.745 2
1 125 . 1 1 A 27 27 ASP H H 27 8.266 4.479 3.787 2
1 126 . 1 1 A 27 27 ASP C C 27 176.977 176.400 0.577 2
1 127 . 1 1 A 27 27 ASP CA C 27 54.460 54.064 0.396 2
1 128 . 1 1 A 27 27 ASP CB C 27 41.637 41.413 0.224 2
1 129 . 1 1 A 27 27 ASP N N 27 120.870 121.133 -0.263 2
1 130 . 1 1 A 28 28 GLU H H 28 8.443 4.127 4.316 2
1 131 . 1 1 A 28 28 GLU C C 28 177.395 177.857 -0.462 2
1 132 . 1 1 A 28 28 GLU CA C 28 57.000 57.417 -0.417 2
1 133 . 1 1 A 28 28 GLU CB C 28 30.399 33.301 -2.902 2
1 134 . 1 1 A 28 28 GLU N N 28 121.297 119.946 1.351 2
1 135 . 1 1 A 29 29 THR H H 29 8.215 4.034 4.181 2
1 136 . 1 1 A 29 29 THR C C 29 175.451 174.579 0.872 2
1 137 . 1 1 A 29 29 THR CA C 29 62.207 64.511 -2.304 2
1 138 . 1 1 A 29 29 THR CB C 29 70.123 69.630 0.493 2
1 139 . 1 1 A 29 29 THR N N 29 114.563 113.104 1.459 2
1 140 . 1 1 A 30 30 MET H H 30 8.340 3.922 4.418 2
1 141 . 1 1 A 30 30 MET C C 30 176.862 174.252 2.610 2
1 142 . 1 1 A 30 30 MET CA C 30 55.799 54.096 1.703 2
1 143 . 1 1 A 30 30 MET CB C 30 33.225 35.817 -2.592 2
1 144 . 1 1 A 30 30 MET N N 30 122.832 118.448 4.384 2
1 145 . 1 1 A 31 31 SER H H 31 8.262 4.335 3.927 2
1 146 . 1 1 A 31 31 SER C C 31 174.971 174.269 0.702 2
1 147 . 1 1 A 31 31 SER CA C 31 58.612 57.650 0.962 2
1 148 . 1 1 A 31 31 SER CB C 31 64.093 65.636 -1.543 2
1 149 . 1 1 A 31 31 SER N N 31 117.087 118.343 -1.256 2
1 150 . 1 1 A 32 32 ASP H H 32 8.429 4.346 4.083 2
1 151 . 1 1 A 32 32 ASP C C 32 176.567 176.519 0.048 2
1 152 . 1 1 A 32 32 ASP CA C 32 54.437 54.597 -0.160 2
1 153 . 1 1 A 32 32 ASP CB C 32 41.602 41.437 0.165 2
1 154 . 1 1 A 32 32 ASP N N 32 123.252 121.274 1.978 2
1 155 . 1 1 A 33 33 ALA H H 33 8.132 4.120 4.013 2
1 156 . 1 1 A 33 33 ALA C C 33 178.128 177.009 1.119 2
1 157 . 1 1 A 33 33 ALA CA C 33 52.784 52.434 0.350 2
1 158 . 1 1 A 33 33 ALA CB C 33 19.711 18.793 0.918 2
1 159 . 1 1 A 33 33 ALA N N 33 123.901 124.558 -0.657 2
1 160 . 1 1 A 34 34 LEU H H 34 8.144 4.439 3.705 2
1 161 . 1 1 A 34 34 LEU C C 34 177.700 175.325 2.375 2
1 162 . 1 1 A 34 34 LEU CA C 34 55.474 53.291 2.183 2
1 163 . 1 1 A 34 34 LEU CB C 34 42.629 44.206 -1.577 2
1 164 . 1 1 A 34 34 LEU N N 34 121.144 124.344 -3.200 2
1 165 . 1 1 A 35 35 ASN H H 35 8.371 4.319 4.051 2
1 166 . 1 1 A 35 35 ASN C C 35 175.823 176.024 -0.201 2
1 167 . 1 1 A 35 35 ASN CA C 35 53.313 52.608 0.705 2
1 168 . 1 1 A 35 35 ASN CB C 35 39.084 39.487 -0.403 2
1 169 . 1 1 A 35 35 ASN N N 35 120.159 121.571 -1.412 2
1 170 . 1 1 A 36 36 VAL H H 36 7.962 4.368 3.594 2
1 171 . 1 1 A 36 36 VAL C C 36 176.277 176.892 -0.615 2
1 172 . 1 1 A 36 36 VAL CA C 36 62.424 63.726 -1.302 2
1 173 . 1 1 A 36 36 VAL CB C 36 33.013 30.163 2.850 2
1 174 . 1 1 A 36 36 VAL N N 36 119.508 123.686 -4.178 2
1 175 . 1 1 A 37 37 ASN H H 37 8.440 4.193 4.247 2
1 176 . 1 1 A 37 37 ASN C C 37 175.594 176.469 -0.875 2
1 177 . 1 1 A 37 37 ASN CA C 37 53.398 56.378 -2.980 2
1 178 . 1 1 A 37 37 ASN CB C 37 39.311 38.059 1.252 2
1 179 . 1 1 A 37 37 ASN N N 37 122.082 119.564 2.518 2
1 180 . 1 1 A 38 38 ARG H H 38 8.204 3.962 4.242 2
1 181 . 1 1 A 38 38 ARG C C 38 176.759 175.255 1.504 2
1 182 . 1 1 A 38 38 ARG CA C 38 56.340 54.804 1.536 2
1 183 . 1 1 A 38 38 ARG CB C 38 30.996 30.202 0.794 2
1 184 . 1 1 A 38 38 ARG N N 38 122.038 115.389 6.649 2
1 185 . 1 1 A 39 39 VAL H H 39 8.143 3.772 4.371 2
1 186 . 1 1 A 39 39 VAL C C 39 176.713 175.630 1.083 2
1 187 . 1 1 A 39 39 VAL CA C 39 62.448 61.569 0.879 2
1 188 . 1 1 A 39 39 VAL CB C 39 33.040 32.978 0.062 2
1 189 . 1 1 A 39 39 VAL N N 39 121.321 121.463 -0.142 2
1 190 . 1 1 A 40 40 SER H H 40 8.383 4.410 3.974 2
1 191 . 1 1 A 40 40 SER C C 40 174.983 175.702 -0.719 2
1 192 . 1 1 A 40 40 SER CA C 40 58.252 58.746 -0.494 2
1 193 . 1 1 A 40 40 SER CB C 40 64.281 64.173 0.108 2
1 194 . 1 1 A 40 40 SER N N 40 119.898 123.006 -3.108 2
1 195 . 1 1 A 41 41 ALA H H 41 8.350 4.567 3.783 2
1 196 . 1 1 A 41 41 ALA C C 41 178.371 179.610 -1.239 2
1 197 . 1 1 A 41 41 ALA CA C 41 53.125 55.021 -1.896 2
1 198 . 1 1 A 41 41 ALA CB C 41 19.717 18.133 1.584 2
1 199 . 1 1 A 41 41 ALA N N 41 126.509 127.044 -0.535 2
1 200 . 1 1 A 42 42 GLU H H 42 8.318 4.050 4.269 2
1 201 . 1 1 A 42 42 GLU C C 42 176.817 178.833 -2.016 2
1 202 . 1 1 A 42 42 GLU CA C 42 56.839 59.652 -2.813 2
1 203 . 1 1 A 42 42 GLU CB C 42 30.355 29.364 0.991 2
1 204 . 1 1 A 42 42 GLU N N 42 119.321 119.178 0.143 2
1 205 . 1 1 A 43 43 ASP H H 43 8.185 4.085 4.099 2
1 206 . 1 1 A 43 43 ASP C C 43 176.583 178.708 -2.125 2
1 207 . 1 1 A 43 43 ASP CA C 43 54.489 57.004 -2.515 2
1 208 . 1 1 A 43 43 ASP CB C 43 41.568 41.033 0.535 2
1 209 . 1 1 A 43 43 ASP N N 43 121.017 119.871 1.146 2
1 210 . 1 1 A 44 44 PHE H H 44 8.023 4.079 3.944 2
1 211 . 1 1 A 44 44 PHE C C 44 176.203 178.134 -1.931 2
1 212 . 1 1 A 44 44 PHE CA C 44 57.861 61.315 -3.454 2
1 213 . 1 1 A 44 44 PHE CB C 44 39.882 38.438 1.444 2
1 214 . 1 1 A 44 44 PHE N N 44 120.414 122.082 -1.668 2
1 215 . 1 1 A 45 45 ALA H H 45 8.194 4.221 3.973 2
1 216 . 1 1 A 45 45 ALA C C 45 178.035 179.781 -1.746 2
1 217 . 1 1 A 45 45 ALA CA C 45 52.692 54.968 -2.276 2
1 218 . 1 1 A 45 45 ALA CB C 45 19.697 18.463 1.234 2
1 219 . 1 1 A 45 45 ALA N N 45 124.990 121.534 3.456 2
1 220 . 1 1 A 46 46 GLN H H 46 8.168 4.173 3.995 2
1 221 . 1 1 A 46 46 GLN C C 46 176.331 175.885 0.446 2
1 222 . 1 1 A 46 46 GLN CA C 46 56.302 57.715 -1.413 2
1 223 . 1 1 A 46 46 GLN CB C 46 29.709 28.402 1.307 2
1 224 . 1 1 A 46 46 GLN N N 46 119.576 114.724 4.852 2
1 225 . 1 1 A 47 47 TYR H H 47 8.039 3.822 4.217 2
1 226 . 1 1 A 47 47 TYR C C 47 176.356 176.151 0.205 2
1 227 . 1 1 A 47 47 TYR CA C 47 57.774 59.361 -1.587 2
1 228 . 1 1 A 47 47 TYR CB C 47 38.940 39.065 -0.125 2
1 229 . 1 1 A 47 47 TYR N N 47 120.792 119.421 1.371 2
1 230 . 1 1 A 48 48 GLN H H 48 8.242 4.506 3.736 2
1 231 . 1 1 A 48 48 GLN C C 48 175.998 174.985 1.013 2
1 232 . 1 1 A 48 48 GLN CA C 48 56.275 57.148 -0.873 2
1 233 . 1 1 A 48 48 GLN CB C 48 29.721 29.885 -0.164 2
1 234 . 1 1 A 48 48 GLN N N 48 121.796 125.457 -3.661 2
1 235 . 1 1 A 49 49 PHE H H 49 8.032 3.819 4.213 2
1 236 . 1 1 A 49 49 PHE C C 49 175.958 174.877 1.081 2
1 237 . 1 1 A 49 49 PHE CA C 49 57.705 56.452 1.253 2
1 238 . 1 1 A 49 49 PHE CB C 49 39.733 42.639 -2.906 2
1 239 . 1 1 A 49 49 PHE N N 49 120.847 116.856 3.991 2
1 240 . 1 1 A 50 50 LEU H H 50 8.146 4.494 3.652 2
1 241 . 1 1 A 50 50 LEU C C 50 177.277 176.121 1.156 2
1 242 . 1 1 A 50 50 LEU CA C 50 55.318 53.603 1.715 2
1 243 . 1 1 A 50 50 LEU CB C 50 42.824 46.255 -3.431 2
1 244 . 1 1 A 50 50 LEU N N 50 123.883 123.308 0.575 2
1 245 . 1 1 A 51 51 ILE H H 51 8.129 4.415 3.714 2
1 246 . 1 1 A 51 51 ILE C C 51 176.635 174.643 1.992 2
1 247 . 1 1 A 51 51 ILE CA C 51 61.193 59.974 1.219 2
1 248 . 1 1 A 51 51 ILE CB C 51 38.594 40.495 -1.901 2
1 249 . 1 1 A 51 51 ILE N N 51 122.968 123.337 -0.369 2
1 250 . 1 1 A 52 52 LEU H H 52 8.290 4.487 3.803 2
1 251 . 1 1 A 52 52 LEU C C 52 178.208 175.546 2.662 2
1 252 . 1 1 A 52 52 LEU CA C 52 55.248 53.070 2.178 2
1 253 . 1 1 A 52 52 LEU CB C 52 42.627 45.272 -2.645 2
1 254 . 1 1 A 52 52 LEU N N 52 126.825 127.625 -0.800 2
1 255 . 1 1 A 53 53 GLY H H 53 8.324 4.495 3.829 2
1 256 . 1 1 A 53 53 GLY C C 53 174.293 172.111 2.182 2
1 257 . 1 1 A 53 53 GLY CA C 53 45.358 43.089 2.269 2
1 258 . 1 1 A 53 53 GLY N N 53 110.183 112.008 -1.825 2
1 259 . 1 1 A 54 54 THR H H 54 8.070 4.317 3.753 2
1 260 . 1 1 A 54 54 THR C C 54 173.620 172.285 1.335 2
1 261 . 1 1 A 54 54 THR CA C 54 59.927 58.661 1.266 2
1 262 . 1 1 A 54 54 THR CB C 54 69.854 72.133 -2.279 2
1 263 . 1 1 A 54 54 THR N N 54 115.869 115.354 0.515 2
1 264 . 1 1 A 55 55 PRO C C 55 177.547 175.172 2.375 2
1 265 . 1 1 A 55 55 PRO CA C 55 63.508 62.205 1.303 2
1 266 . 1 1 A 55 55 PRO CB C 55 32.280 33.059 -0.779 2
1 267 . 1 1 A 56 56 THR H H 56 8.221 4.182 4.039 2
1 268 . 1 1 A 56 56 THR C C 56 175.237 173.256 1.981 2
1 269 . 1 1 A 56 56 THR CA C 56 61.906 60.720 1.186 2
1 270 . 1 1 A 56 56 THR CB C 56 70.144 70.572 -0.428 2
1 271 . 1 1 A 56 56 THR N N 56 115.024 113.715 1.309 2
1 272 . 1 1 A 57 57 LEU H H 57 8.268 4.501 3.767 2
1 273 . 1 1 A 57 57 LEU C C 57 178.258 177.018 1.240 2
1 274 . 1 1 A 57 57 LEU CA C 57 55.517 53.137 2.380 2
1 275 . 1 1 A 57 57 LEU CB C 57 42.652 44.125 -1.473 2
1 276 . 1 1 A 57 57 LEU N N 57 124.897 126.368 -1.471 2
1 277 . 1 1 A 58 58 GLY H H 58 8.489 4.226 4.263 2
1 278 . 1 1 A 58 58 GLY C C 58 174.712 174.914 -0.202 2
1 279 . 1 1 A 58 58 GLY CA C 58 45.462 46.377 -0.915 2
1 280 . 1 1 A 58 58 GLY N N 58 110.608 109.272 1.336 2
1 281 . 1 1 A 59 59 GLU H H 59 8.331 4.630 3.701 2
1 282 . 1 1 A 59 59 GLU C C 59 177.615 176.615 1.000 2
1 283 . 1 1 A 59 59 GLU CA C 59 56.960 57.588 -0.628 2
1 284 . 1 1 A 59 59 GLU CB C 59 30.580 28.246 2.334 2
1 285 . 1 1 A 59 59 GLU N N 59 121.130 122.506 -1.376 2
1 286 . 1 1 A 60 60 GLY H H 60 8.465 4.355 4.110 2
1 287 . 1 1 A 60 60 GLY C C 60 174.407 173.948 0.459 2
1 288 . 1 1 A 60 60 GLY CA C 60 45.445 46.931 -1.486 2
1 289 . 1 1 A 60 60 GLY N N 60 110.295 104.383 5.912 2
1 290 . 1 1 A 61 61 GLU H H 61 8.175 3.950 4.226 2
1 291 . 1 1 A 61 61 GLU C C 61 176.853 175.629 1.224 2
1 292 . 1 1 A 61 61 GLU CA C 61 56.325 54.529 1.796 2
1 293 . 1 1 A 61 61 GLU CB C 61 30.837 31.819 -0.982 2
1 294 . 1 1 A 61 61 GLU N N 61 120.892 118.684 2.208 2
1 295 . 1 1 A 62 62 LEU H H 62 8.304 4.261 4.043 2
1 296 . 1 1 A 62 62 LEU C C 62 175.842 175.156 0.686 2
1 297 . 1 1 A 62 62 LEU CA C 62 53.277 53.382 -0.105 2
1 298 . 1 1 A 62 62 LEU CB C 62 41.774 41.041 0.733 2
1 299 . 1 1 A 62 62 LEU N N 62 124.229 122.145 2.084 2
1 300 . 1 1 A 63 63 PRO C C 63 177.962 176.551 1.411 2
1 301 . 1 1 A 63 63 PRO CA C 63 63.473 62.918 0.555 2
1 302 . 1 1 A 63 63 PRO CB C 63 32.313 32.727 -0.414 2
1 303 . 1 1 A 64 64 GLY H H 64 8.432 4.043 4.389 2
1 304 . 1 1 A 64 64 GLY C C 64 174.523 174.300 0.223 2
1 305 . 1 1 A 64 64 GLY CA C 64 45.512 45.361 0.151 2
1 306 . 1 1 A 64 64 GLY N N 64 109.930 107.049 2.881 2
1 307 . 1 1 A 65 65 LEU H H 65 8.119 4.489 3.630 2
1 308 . 1 1 A 65 65 LEU C C 65 178.186 178.755 -0.569 2
1 309 . 1 1 A 65 65 LEU CA C 65 55.310 57.180 -1.870 2
1 310 . 1 1 A 65 65 LEU CB C 65 42.859 41.500 1.359 2
1 311 . 1 1 A 65 65 LEU N N 65 122.247 121.195 1.052 2
1 312 . 1 1 A 66 66 SER H H 66 8.368 4.037 4.331 2
1 313 . 1 1 A 66 66 SER C C 66 175.344 175.596 -0.252 2
1 314 . 1 1 A 66 66 SER CA C 66 58.536 61.447 -2.911 2
1 315 . 1 1 A 66 66 SER CB C 66 64.115 63.261 0.854 2
1 316 . 1 1 A 66 66 SER N N 66 117.272 115.729 1.543 2
1 317 . 1 1 A 67 67 SER H H 67 8.380 3.893 4.487 2
1 318 . 1 1 A 67 67 SER C C 67 175.030 173.775 1.255 2
1 319 . 1 1 A 67 67 SER CA C 67 58.650 58.088 0.562 2
1 320 . 1 1 A 67 67 SER CB C 67 64.095 63.207 0.888 2
1 321 . 1 1 A 67 67 SER N N 67 118.078 113.175 4.903 2
1 322 . 1 1 A 68 68 ASP H H 68 8.394 4.067 4.327 2
1 323 . 1 1 A 68 68 ASP C C 68 176.641 175.092 1.549 2
1 324 . 1 1 A 68 68 ASP CA C 68 54.635 55.413 -0.778 2
1 325 . 1 1 A 68 68 ASP CB C 68 41.530 39.103 2.427 2
1 326 . 1 1 A 68 68 ASP N N 68 122.801 116.966 5.835 2
1 327 . 1 1 A 69 69 ALA H H 69 8.100 3.832 4.268 2
1 328 . 1 1 A 69 69 ALA C C 69 178.408 177.945 0.463 2
1 329 . 1 1 A 69 69 ALA CA C 69 52.945 52.150 0.795 2
1 330 . 1 1 A 69 69 ALA CB C 69 19.730 19.594 0.136 2
1 331 . 1 1 A 69 69 ALA N N 69 123.770 120.069 3.701 2
1 332 . 1 1 A 70 70 GLU H H 70 8.307 4.369 3.938 2
1 333 . 1 1 A 70 70 GLU C C 70 176.936 175.777 1.159 2
1 334 . 1 1 A 70 70 GLU CA C 70 56.839 59.825 -2.986 2
1 335 . 1 1 A 70 70 GLU CB C 70 30.322 29.820 0.502 2
1 336 . 1 1 A 70 70 GLU N N 70 119.717 121.347 -1.630 2
1 337 . 1 1 A 71 71 ASN H H 71 8.267 4.035 4.232 2
1 338 . 1 1 A 71 71 ASN C C 71 175.785 174.991 0.794 2
1 339 . 1 1 A 71 71 ASN CA C 71 53.424 51.900 1.524 2
1 340 . 1 1 A 71 71 ASN CB C 71 39.324 41.777 -2.453 2
1 341 . 1 1 A 71 71 ASN N N 71 119.322 115.782 3.540 2
1 342 . 1 1 A 72 72 GLU H H 72 8.362 4.255 4.106 2
1 343 . 1 1 A 72 72 GLU C C 72 177.017 176.411 0.606 2
1 344 . 1 1 A 72 72 GLU CA C 72 56.749 57.187 -0.438 2
1 345 . 1 1 A 72 72 GLU CB C 72 30.589 30.646 -0.057 2
1 346 . 1 1 A 72 72 GLU N N 72 121.467 120.797 0.670 2
1 347 . 1 1 A 73 73 SER H H 73 8.313 4.313 4.000 2
1 348 . 1 1 A 73 73 SER C C 73 175.011 173.452 1.559 2
1 349 . 1 1 A 73 73 SER CA C 73 58.678 56.125 2.553 2
1 350 . 1 1 A 73 73 SER CB C 73 64.083 65.204 -1.121 2
1 351 . 1 1 A 73 73 SER N N 73 116.783 114.748 2.035 2
1 352 . 1 1 A 74 74 TRP H H 74 8.106 4.468 3.638 2
1 353 . 1 1 A 74 74 TRP C C 74 176.742 178.518 -1.776 2
1 354 . 1 1 A 74 74 TRP CA C 74 57.617 60.658 -3.041 2
1 355 . 1 1 A 74 74 TRP CB C 74 29.954 29.336 0.618 2
1 356 . 1 1 A 74 74 TRP N N 74 123.431 124.421 -0.990 2
1 357 . 1 1 A 75 75 GLU H H 75 8.156 4.172 3.984 2
1 358 . 1 1 A 75 75 GLU C C 75 176.610 179.139 -2.529 2
1 359 . 1 1 A 75 75 GLU CA C 75 56.642 59.926 -3.284 2
1 360 . 1 1 A 75 75 GLU CB C 75 30.553 29.278 1.275 2
1 361 . 1 1 A 75 75 GLU N N 75 122.205 119.586 2.619 2
1 362 . 1 1 A 76 76 GLU H H 76 8.199 4.066 4.133 2
1 363 . 1 1 A 76 76 GLU C C 76 176.420 178.571 -2.151 2
1 364 . 1 1 A 76 76 GLU CA C 76 56.660 58.156 -1.496 2
1 365 . 1 1 A 76 76 GLU CB C 76 30.680 29.628 1.052 2
1 366 . 1 1 A 76 76 GLU N N 76 121.881 119.189 2.692 2
1 367 . 1 1 A 77 77 PHE H H 77 8.167 4.117 4.050 2
1 368 . 1 1 A 77 77 PHE C C 77 175.660 177.159 -1.499 2
1 369 . 1 1 A 77 77 PHE CA C 77 57.481 61.224 -3.743 2
1 370 . 1 1 A 77 77 PHE CB C 77 39.974 38.786 1.188 2
1 371 . 1 1 A 77 77 PHE N N 77 121.384 123.091 -1.707 2
1 372 . 1 1 A 78 78 LEU H H 78 8.130 4.109 4.021 2
1 373 . 1 1 A 78 78 LEU C C 78 175.192 175.794 -0.602 2
1 374 . 1 1 A 78 78 LEU CA C 78 52.760 59.706 -6.946 2
1 375 . 1 1 A 78 78 LEU CB C 78 42.109 39.507 2.602 2
1 376 . 1 1 A 78 78 LEU N N 78 125.740 119.357 6.383 2
1 377 . 1 1 A 79 79 PRO C C 79 177.245 178.697 -1.452 2
1 378 . 1 1 A 79 79 PRO CA C 79 63.018 65.180 -2.162 2
1 379 . 1 1 A 79 79 PRO CB C 79 32.285 31.176 1.109 2
1 380 . 1 1 A 80 80 LYS H H 80 8.450 4.226 4.223 2
1 381 . 1 1 A 80 80 LYS C C 80 177.164 178.093 -0.929 2
1 382 . 1 1 A 80 80 LYS CA C 80 56.776 58.191 -1.415 2
1 383 . 1 1 A 80 80 LYS CB C 80 33.061 32.101 0.960 2
1 384 . 1 1 A 80 80 LYS N N 80 123.117 116.677 6.440 2
1 385 . 1 1 A 81 81 ILE H H 81 8.167 3.824 4.343 2
1 386 . 1 1 A 81 81 ILE C C 81 176.584 177.188 -0.604 2
1 387 . 1 1 A 81 81 ILE CA C 81 61.193 60.432 0.761 2
1 388 . 1 1 A 81 81 ILE CB C 81 38.917 38.386 0.531 2
1 389 . 1 1 A 81 81 ILE N N 81 122.905 112.047 10.858 2
1 390 . 1 1 A 82 82 GLU H H 82 8.458 4.250 4.207 2
1 391 . 1 1 A 82 82 GLU C C 82 177.288 177.382 -0.094 2
1 392 . 1 1 A 82 82 GLU CA C 82 56.702 58.461 -1.759 2
1 393 . 1 1 A 82 82 GLU CB C 82 30.682 28.768 1.914 2
1 394 . 1 1 A 82 82 GLU N N 82 125.474 124.090 1.384 2
1 395 . 1 1 A 83 83 GLY H H 83 8.364 4.023 4.341 2
1 396 . 1 1 A 83 83 GLY C C 83 174.422 174.226 0.196 2
1 397 . 1 1 A 83 83 GLY CA C 83 45.610 45.019 0.591 2
1 398 . 1 1 A 83 83 GLY N N 83 110.607 107.873 2.734 2
1 399 . 1 1 A 84 84 LEU H H 84 8.055 3.668 4.386 2
1 400 . 1 1 A 84 84 LEU C C 84 177.464 175.999 1.465 2
1 401 . 1 1 A 84 84 LEU CA C 84 55.326 54.171 1.155 2
1 402 . 1 1 A 84 84 LEU CB C 84 42.853 42.830 0.023 2
1 403 . 1 1 A 84 84 LEU N N 84 121.946 120.917 1.029 2
1 404 . 1 1 A 85 85 ASP H H 85 8.347 4.229 4.119 2
1 405 . 1 1 A 85 85 ASP C C 85 176.463 175.932 0.531 2
1 406 . 1 1 A 85 85 ASP CA C 85 54.185 52.493 1.692 2
1 407 . 1 1 A 85 85 ASP CB C 85 41.634 43.596 -1.962 2
1 408 . 1 1 A 85 85 ASP N N 85 121.113 123.389 -2.276 2
1 409 . 1 1 A 86 86 PHE H H 86 8.196 4.261 3.935 2
1 410 . 1 1 A 86 86 PHE C C 86 176.467 175.937 0.530 2
1 411 . 1 1 A 86 86 PHE CA C 86 57.905 57.036 0.869 2
1 412 . 1 1 A 86 86 PHE CB C 86 39.767 39.363 0.404 2
1 413 . 1 1 A 86 86 PHE N N 86 121.364 124.290 -2.926 2
1 414 . 1 1 A 87 87 SER H H 87 8.360 3.849 4.511 2
1 415 . 1 1 A 87 87 SER C C 87 175.465 175.745 -0.280 2
1 416 . 1 1 A 87 87 SER CA C 87 58.774 60.547 -1.773 2
1 417 . 1 1 A 87 87 SER CB C 87 64.256 62.981 1.275 2
1 418 . 1 1 A 87 87 SER N N 87 117.756 114.733 3.023 2
1 419 . 1 1 A 88 88 GLY H H 88 8.090 4.091 3.998 2
1 420 . 1 1 A 88 88 GLY C C 88 174.412 173.379 1.033 2
1 421 . 1 1 A 88 88 GLY CA C 88 45.618 45.325 0.293 2
1 422 . 1 1 A 88 88 GLY N N 88 111.145 112.851 -1.706 2
1 423 . 1 1 A 89 89 LYS H H 89 8.172 3.969 4.204 2
1 424 . 1 1 A 89 89 LYS C C 89 177.400 175.687 1.713 2
1 425 . 1 1 A 89 89 LYS CA C 89 56.657 54.103 2.554 2
1 426 . 1 1 A 89 89 LYS CB C 89 33.515 34.510 -0.995 2
1 427 . 1 1 A 89 89 LYS N N 89 121.446 120.167 1.279 2
1 428 . 1 1 A 90 90 THR H H 90 8.207 4.351 3.856 2
1 429 . 1 1 A 90 90 THR C C 90 175.119 173.416 1.703 2
1 430 . 1 1 A 90 90 THR CA C 90 61.959 61.791 0.168 2
1 431 . 1 1 A 90 90 THR CB C 90 70.206 70.181 0.025 2
1 432 . 1 1 A 90 90 THR N N 90 116.109 116.087 0.022 2
1 433 . 1 1 A 91 91 VAL H H 91 8.096 4.474 3.622 2
1 434 . 1 1 A 91 91 VAL C C 91 176.094 174.759 1.335 2
1 435 . 1 1 A 91 91 VAL CA C 91 62.096 60.275 1.821 2
1 436 . 1 1 A 91 91 VAL CB C 91 33.137 35.325 -2.188 2
1 437 . 1 1 A 91 91 VAL N N 91 122.534 125.597 -3.063 2
1 438 . 1 1 A 92 92 ALA H H 92 8.258 4.440 3.818 2
1 439 . 1 1 A 92 92 ALA C C 92 177.719 176.049 1.670 2
1 440 . 1 1 A 92 92 ALA CA C 92 52.391 50.547 1.844 2
1 441 . 1 1 A 92 92 ALA CB C 92 19.723 22.348 -2.625 2
1 442 . 1 1 A 92 92 ALA N N 92 127.883 128.298 -0.415 2
1 443 . 1 1 A 93 93 LEU H H 93 8.095 4.484 3.611 2
1 444 . 1 1 A 93 93 LEU C C 93 177.486 175.913 1.573 2
1 445 . 1 1 A 93 93 LEU CA C 93 55.318 53.820 1.498 2
1 446 . 1 1 A 93 93 LEU CB C 93 42.800 45.147 -2.347 2
1 447 . 1 1 A 93 93 LEU N N 93 122.472 122.932 -0.460 2
1 448 . 1 1 A 94 94 PHE H H 94 8.138 4.473 3.666 2
1 449 . 1 1 A 94 94 PHE C C 94 176.793 173.201 3.592 2
1 450 . 1 1 A 94 94 PHE CA C 94 57.656 54.876 2.780 2
1 451 . 1 1 A 94 94 PHE CB C 94 40.057 41.965 -1.908 2
1 452 . 1 1 A 94 94 PHE N N 94 120.251 119.126 1.125 2
1 453 . 1 1 A 95 95 GLY H H 95 8.393 4.412 3.981 2
1 454 . 1 1 A 95 95 GLY C C 95 174.593 171.712 2.881 2
1 455 . 1 1 A 95 95 GLY CA C 95 45.638 43.649 1.989 2
1 456 . 1 1 A 95 95 GLY N N 95 110.825 108.401 2.424 2
1 457 . 1 1 A 96 96 LEU H H 96 8.148 4.303 3.845 2
1 458 . 1 1 A 96 96 LEU C C 96 178.496 176.709 1.787 2
1 459 . 1 1 A 96 96 LEU CA C 96 55.578 53.052 2.526 2
1 460 . 1 1 A 96 96 LEU CB C 96 42.641 45.129 -2.488 2
1 461 . 1 1 A 96 96 LEU N N 96 122.065 122.383 -0.318 2
1 462 . 1 1 A 97 97 GLY H H 97 8.431 4.143 4.288 2
1 463 . 1 1 A 97 97 GLY C C 97 174.523 171.507 3.016 2
1 464 . 1 1 A 97 97 GLY CA C 97 45.630 45.732 -0.102 2
1 465 . 1 1 A 97 97 GLY N N 97 109.930 109.411 0.519 2
1 466 . 1 1 A 98 98 ASP H H 98 8.261 4.308 3.953 2
1 467 . 1 1 A 98 98 ASP C C 98 176.821 176.362 0.459 2
1 468 . 1 1 A 98 98 ASP CA C 98 54.460 52.739 1.721 2
1 469 . 1 1 A 98 98 ASP CB C 98 41.637 42.285 -0.648 2
1 470 . 1 1 A 98 98 ASP N N 98 121.083 120.373 0.710 2
1 471 . 1 1 A 99 99 GLN H H 99 8.337 4.423 3.914 2
1 472 . 1 1 A 99 99 GLN C C 99 176.417 177.661 -1.244 2
1 473 . 1 1 A 99 99 GLN CA C 99 56.110 57.991 -1.881 2
1 474 . 1 1 A 99 99 GLN CB C 99 29.649 27.487 2.162 2
1 475 . 1 1 A 99 99 GLN N N 99 120.439 124.896 -4.457 2
1 476 . 1 1 A 100 100 VAL H H 100 8.008 3.924 4.085 2
1 477 . 1 1 A 100 100 VAL C C 100 176.936 178.754 -1.818 2
1 478 . 1 1 A 100 100 VAL CA C 100 62.481 66.249 -3.768 2
1 479 . 1 1 A 100 100 VAL CB C 100 33.041 31.990 1.051 2
1 480 . 1 1 A 100 100 VAL N N 100 120.473 120.111 0.362 2
1 481 . 1 1 A 101 101 GLY H H 101 8.309 4.093 4.215 2
1 482 . 1 1 A 101 101 GLY C C 101 173.774 173.882 -0.108 2
1 483 . 1 1 A 101 101 GLY CA C 101 45.215 45.560 -0.345 2
1 484 . 1 1 A 101 101 GLY N N 101 112.520 108.055 4.465 2
1 485 . 1 1 A 102 102 TYR H H 102 8.082 3.887 4.195 2
1 486 . 1 1 A 102 102 TYR C C 102 174.636 175.149 -0.513 2
1 487 . 1 1 A 102 102 TYR CA C 102 56.157 55.397 0.760 2
1 488 . 1 1 A 102 102 TYR CB C 102 38.484 38.674 -0.190 2
1 489 . 1 1 A 102 102 TYR N N 102 121.224 118.104 3.120 2
1 490 . 1 1 A 103 103 PRO C C 103 177.390 177.575 -0.185 2
1 491 . 1 1 A 103 103 PRO CA C 103 63.372 65.280 -1.908 2
1 492 . 1 1 A 103 103 PRO CB C 103 32.189 31.855 0.334 2
1 493 . 1 1 A 104 104 GLU H H 104 8.554 4.187 4.367 2
1 494 . 1 1 A 104 104 GLU C C 104 176.871 177.156 -0.285 2
1 495 . 1 1 A 104 104 GLU CA C 104 57.288 56.882 0.406 2
1 496 . 1 1 A 104 104 GLU CB C 104 30.241 30.267 -0.026 2
1 497 . 1 1 A 104 104 GLU N N 104 121.351 117.334 4.017 2
1 498 . 1 1 A 105 105 ASN H H 105 8.345 3.966 4.380 2
1 499 . 1 1 A 105 105 ASN C C 105 175.608 174.486 1.122 2
1 500 . 1 1 A 105 105 ASN CA C 105 53.305 52.589 0.716 2
1 501 . 1 1 A 105 105 ASN CB C 105 39.197 39.826 -0.629 2
1 502 . 1 1 A 105 105 ASN N N 105 118.880 117.238 1.642 2
1 503 . 1 1 A 106 106 TYR H H 106 8.060 3.783 4.277 2
1 504 . 1 1 A 106 106 TYR C C 106 176.386 176.413 -0.027 2
1 505 . 1 1 A 106 106 TYR CA C 106 58.478 59.460 -0.982 2
1 506 . 1 1 A 106 106 TYR CB C 106 38.955 38.195 0.760 2
1 507 . 1 1 A 106 106 TYR N N 106 120.967 123.506 -2.539 2
1 508 . 1 1 A 107 107 LEU H H 107 8.091 4.451 3.640 2
1 509 . 1 1 A 107 107 LEU C C 107 177.663 175.935 1.728 2
1 510 . 1 1 A 107 107 LEU CA C 107 55.525 55.866 -0.341 2
1 511 . 1 1 A 107 107 LEU CB C 107 42.451 38.889 3.562 2
1 512 . 1 1 A 107 107 LEU N N 107 123.037 125.165 -2.128 2
1 513 . 1 1 A 108 108 ASP H H 108 8.185 4.083 4.102 2
1 514 . 1 1 A 108 108 ASP C C 108 176.583 178.496 -1.913 2
1 515 . 1 1 A 108 108 ASP CA C 108 54.489 57.260 -2.771 2
1 516 . 1 1 A 108 108 ASP CB C 108 41.568 40.395 1.173 2
1 517 . 1 1 A 108 108 ASP N N 108 121.059 118.908 2.151 2
1 518 . 1 1 A 109 109 ALA H H 109 8.093 3.905 4.188 2
1 519 . 1 1 A 109 109 ALA C C 109 178.280 179.774 -1.494 2
1 520 . 1 1 A 109 109 ALA CA C 109 52.940 54.963 -2.023 2
1 521 . 1 1 A 109 109 ALA CB C 109 19.740 18.416 1.324 2
1 522 . 1 1 A 109 109 ALA N N 109 123.889 121.846 2.043 2
1 523 . 1 1 A 110 110 LEU H H 110 8.126 4.136 3.990 2
1 524 . 1 1 A 110 110 LEU C C 110 178.502 178.834 -0.332 2
1 525 . 1 1 A 110 110 LEU CA C 110 55.668 57.024 -1.356 2
1 526 . 1 1 A 110 110 LEU CB C 110 42.539 42.017 0.522 2
1 527 . 1 1 A 110 110 LEU N N 110 121.052 120.073 0.979 2
1 528 . 1 1 A 111 111 GLY H H 111 8.264 4.130 4.134 2
1 529 . 1 1 A 111 111 GLY C C 111 174.637 175.604 -0.967 2
1 530 . 1 1 A 111 111 GLY CA C 111 45.651 47.182 -1.531 2
1 531 . 1 1 A 111 111 GLY N N 111 109.450 106.872 2.578 2
1 532 . 1 1 A 112 112 GLU H H 112 8.216 4.149 4.066 2
1 533 . 1 1 A 112 112 GLU C C 112 177.013 178.693 -1.680 2
1 534 . 1 1 A 112 112 GLU CA C 112 56.585 59.098 -2.513 2
1 535 . 1 1 A 112 112 GLU CB C 112 30.598 29.336 1.262 2
1 536 . 1 1 A 112 112 GLU N N 112 121.026 121.420 -0.394 2
1 537 . 1 1 A 113 113 LEU H H 113 8.190 3.978 4.213 2
1 538 . 1 1 A 113 113 LEU C C 113 177.538 178.375 -0.837 2
1 539 . 1 1 A 113 113 LEU CA C 113 55.550 57.581 -2.031 2
1 540 . 1 1 A 113 113 LEU CB C 113 42.544 41.519 1.025 2
1 541 . 1 1 A 113 113 LEU N N 113 122.963 120.848 2.115 2
1 542 . 1 1 A 114 114 TYR H H 114 8.087 4.162 3.925 2
1 543 . 1 1 A 114 114 TYR C C 114 176.423 177.196 -0.773 2
1 544 . 1 1 A 114 114 TYR CA C 114 57.978 62.157 -4.179 2
1 545 . 1 1 A 114 114 TYR CB C 114 39.149 38.705 0.444 2
1 546 . 1 1 A 114 114 TYR N N 114 120.749 120.184 0.565 2
1 547 . 1 1 A 115 115 SER H H 115 8.120 4.072 4.048 2
1 548 . 1 1 A 115 115 SER C C 115 174.550 175.636 -1.086 2
1 549 . 1 1 A 115 115 SER CA C 115 58.233 63.067 -4.834 2
1 550 . 1 1 A 115 115 SER CB C 115 64.052 63.076 0.976 2
1 551 . 1 1 A 115 115 SER N N 115 117.260 115.978 1.282 2
1 552 . 1 1 A 116 116 PHE H H 116 8.140 4.110 4.030 2
1 553 . 1 1 A 116 116 PHE C C 116 176.075 176.932 -0.857 2
1 554 . 1 1 A 116 116 PHE CA C 116 58.271 61.488 -3.217 2
1 555 . 1 1 A 116 116 PHE CB C 116 39.957 38.777 1.180 2
1 556 . 1 1 A 116 116 PHE N N 116 122.802 121.934 0.868 2
1 557 . 1 1 A 117 117 PHE H H 117 8.141 4.009 4.132 2
1 558 . 1 1 A 117 117 PHE C C 117 176.233 178.014 -1.781 2
1 559 . 1 1 A 117 117 PHE CA C 117 57.949 61.463 -3.514 2
1 560 . 1 1 A 117 117 PHE CB C 117 39.951 38.477 1.474 2
1 561 . 1 1 A 117 117 PHE N N 117 121.092 116.510 4.582 2
1 562 . 1 1 A 118 118 LYS H H 118 8.176 4.191 3.986 2
1 563 . 1 1 A 118 118 LYS C C 118 176.545 179.321 -2.776 2
1 564 . 1 1 A 118 118 LYS CA C 118 56.664 59.936 -3.272 2
1 565 . 1 1 A 118 118 LYS CB C 118 33.341 32.247 1.094 2
1 566 . 1 1 A 118 118 LYS N N 118 122.913 121.694 1.219 2
1 567 . 1 1 A 119 119 ASP H H 119 8.278 4.162 4.116 2
1 568 . 1 1 A 119 119 ASP C C 119 176.774 177.758 -0.984 2
1 569 . 1 1 A 119 119 ASP CA C 119 54.378 56.690 -2.312 2
1 570 . 1 1 A 119 119 ASP CB C 119 41.624 40.253 1.371 2
1 571 . 1 1 A 119 119 ASP N N 119 121.837 119.777 2.060 2
1 572 . 1 1 A 120 120 ARG H H 120 8.283 3.822 4.461 2
1 573 . 1 1 A 120 120 ARG C C 120 177.300 176.563 0.737 2
1 574 . 1 1 A 120 120 ARG CA C 120 56.645 55.320 1.325 2
1 575 . 1 1 A 120 120 ARG CB C 120 30.947 29.925 1.022 2
1 576 . 1 1 A 120 120 ARG N N 120 121.858 117.069 4.789 2
1 577 . 1 1 A 121 121 GLY H H 121 8.432 4.072 4.361 2
1 578 . 1 1 A 121 121 GLY C C 121 174.259 174.413 -0.154 2
1 579 . 1 1 A 121 121 GLY CA C 121 45.512 45.642 -0.130 2
1 580 . 1 1 A 121 121 GLY N N 121 109.868 107.430 2.438 2
1 581 . 1 1 A 122 122 ALA H H 122 8.083 3.998 4.085 2
1 582 . 1 1 A 122 122 ALA C C 122 178.191 176.473 1.718 2
1 583 . 1 1 A 122 122 ALA CA C 122 52.540 52.515 0.025 2
1 584 . 1 1 A 122 122 ALA CB C 122 19.820 20.034 -0.214 2
1 585 . 1 1 A 122 122 ALA N N 122 124.084 123.658 0.426 2
1 586 . 1 1 A 123 123 LYS H H 123 8.287 4.245 4.043 2
1 587 . 1 1 A 123 123 LYS C C 123 176.935 175.343 1.592 2
1 588 . 1 1 A 123 123 LYS CA C 123 56.645 55.667 0.978 2
1 589 . 1 1 A 123 123 LYS CB C 123 33.137 33.441 -0.304 2
1 590 . 1 1 A 123 123 LYS N N 123 121.664 122.692 -1.028 2
1 591 . 1 1 A 124 124 ILE H H 124 8.172 4.543 3.630 2
1 592 . 1 1 A 124 124 ILE C C 124 177.750 175.626 2.124 2
1 593 . 1 1 A 124 124 ILE CA C 124 61.148 60.011 1.137 2
1 594 . 1 1 A 124 124 ILE CB C 124 38.750 39.494 -0.744 2
1 595 . 1 1 A 124 124 ILE N N 124 123.422 128.550 -5.128 2
1 596 . 1 1 A 125 125 VAL H H 125 8.150 4.274 3.876 2
1 597 . 1 1 A 125 125 VAL C C 125 176.915 175.598 1.317 2
1 598 . 1 1 A 125 125 VAL CA C 125 62.389 59.836 2.553 2
1 599 . 1 1 A 125 125 VAL CB C 125 33.085 35.250 -2.165 2
1 600 . 1 1 A 125 125 VAL N N 125 124.856 121.830 3.026 2
1 601 . 1 1 A 126 126 GLY H H 126 8.314 4.308 4.006 2
1 602 . 1 1 A 126 126 GLY C C 126 174.442 175.246 -0.804 2
1 603 . 1 1 A 126 126 GLY CA C 126 45.365 45.918 -0.553 2
1 604 . 1 1 A 126 126 GLY N N 126 113.116 113.972 -0.856 2
1 605 . 1 1 A 127 127 SER H H 127 8.124 4.082 4.043 2
1 606 . 1 1 A 127 127 SER C C 127 174.914 174.042 0.872 2
1 607 . 1 1 A 127 127 SER CA C 127 58.379 58.814 -0.435 2
1 608 . 1 1 A 127 127 SER CB C 127 64.042 64.917 -0.875 2
1 609 . 1 1 A 127 127 SER N N 127 116.139 115.637 0.502 2
1 610 . 1 1 A 128 128 TRP H H 128 8.177 4.306 3.871 2
1 611 . 1 1 A 128 128 TRP C C 128 176.809 174.309 2.500 2
1 612 . 1 1 A 128 128 TRP CA C 128 57.640 56.165 1.475 2
1 613 . 1 1 A 128 128 TRP CB C 128 30.042 33.299 -3.257 2
1 614 . 1 1 A 128 128 TRP N N 128 123.291 125.665 -2.374 2
1 615 . 1 1 A 129 129 SER H H 129 8.136 4.310 3.826 2
1 616 . 1 1 A 129 129 SER C C 129 175.301 176.974 -1.673 2
1 617 . 1 1 A 129 129 SER CA C 129 58.332 58.628 -0.296 2
1 618 . 1 1 A 129 129 SER CB C 129 64.200 63.311 0.889 2
1 619 . 1 1 A 129 129 SER N N 129 117.082 121.004 -3.922 2
1 620 . 1 1 A 130 130 THR H H 130 8.129 4.288 3.841 2
1 621 . 1 1 A 130 130 THR C C 130 174.987 175.113 -0.126 2
1 622 . 1 1 A 130 130 THR CA C 130 61.892 62.948 -1.056 2
1 623 . 1 1 A 130 130 THR CB C 130 69.936 69.277 0.659 2
1 624 . 1 1 A 130 130 THR N N 130 115.332 117.674 -2.342 2
1 625 . 1 1 A 131 131 ASP H H 131 8.322 3.766 4.556 2
1 626 . 1 1 A 131 131 ASP C C 131 177.042 177.490 -0.448 2
1 627 . 1 1 A 131 131 ASP CA C 131 54.598 56.207 -1.609 2
1 628 . 1 1 A 131 131 ASP CB C 131 41.696 40.203 1.493 2
1 629 . 1 1 A 131 131 ASP N N 131 122.338 124.710 -2.372 2
1 630 . 1 1 A 132 132 GLY H H 132 8.211 4.371 3.840 2
1 631 . 1 1 A 132 132 GLY C C 132 174.350 173.132 1.218 2
1 632 . 1 1 A 132 132 GLY CA C 132 45.596 45.254 0.342 2
1 633 . 1 1 A 132 132 GLY N N 132 109.195 110.990 -1.795 2
1 634 . 1 1 A 133 133 TYR H H 133 8.062 3.904 4.159 2
1 635 . 1 1 A 133 133 TYR C C 133 176.540 174.989 1.551 2
1 636 . 1 1 A 133 133 TYR CA C 133 58.156 57.248 0.908 2
1 637 . 1 1 A 133 133 TYR CB C 133 39.218 42.566 -3.348 2
1 638 . 1 1 A 133 133 TYR N N 133 120.608 118.735 1.873 2
1 639 . 1 1 A 134 134 GLU H H 134 8.406 4.333 4.072 2
1 640 . 1 1 A 134 134 GLU C C 134 176.549 175.520 1.029 2
1 641 . 1 1 A 134 134 GLU CA C 134 56.829 55.710 1.119 2
1 642 . 1 1 A 134 134 GLU CB C 134 30.401 30.685 -0.284 2
1 643 . 1 1 A 134 134 GLU N N 134 122.828 122.657 0.171 2
1 644 . 1 1 A 135 135 PHE H H 135 8.040 4.236 3.804 2
1 645 . 1 1 A 135 135 PHE C C 135 176.356 174.056 2.300 2
1 646 . 1 1 A 135 135 PHE CA C 135 57.898 56.158 1.740 2
1 647 . 1 1 A 135 135 PHE CB C 135 39.733 40.418 -0.685 2
1 648 . 1 1 A 135 135 PHE N N 135 120.739 120.847 -0.108 2
1 649 . 1 1 A 136 136 GLU H H 136 8.364 4.543 3.821 2
1 650 . 1 1 A 136 136 GLU C C 136 176.826 176.715 0.111 2
1 651 . 1 1 A 136 136 GLU CA C 136 56.548 57.863 -1.315 2
1 652 . 1 1 A 136 136 GLU CB C 136 30.802 31.597 -0.795 2
1 653 . 1 1 A 136 136 GLU N N 136 122.554 119.358 3.196 2
1 654 . 1 1 A 137 137 SER H H 137 8.292 4.027 4.266 2
1 655 . 1 1 A 137 137 SER C C 137 175.305 173.139 2.166 2
1 656 . 1 1 A 137 137 SER CA C 137 58.389 57.601 0.788 2
1 657 . 1 1 A 137 137 SER CB C 137 64.175 66.303 -2.128 2
1 658 . 1 1 A 137 137 SER N N 137 117.100 112.073 5.027 2
1 659 . 1 1 A 138 138 SER H H 138 8.409 4.327 4.082 2
1 660 . 1 1 A 138 138 SER C C 138 175.120 173.669 1.451 2
1 661 . 1 1 A 138 138 SER CA C 138 58.766 56.556 2.210 2
1 662 . 1 1 A 138 138 SER CB C 138 64.083 65.561 -1.478 2
1 663 . 1 1 A 138 138 SER N N 138 118.518 115.933 2.585 2
1 664 . 1 1 A 139 139 GLU H H 139 8.390 4.314 4.076 2
1 665 . 1 1 A 139 139 GLU C C 139 176.641 177.213 -0.572 2
1 666 . 1 1 A 139 139 GLU CA C 139 56.607 57.563 -0.956 2
1 667 . 1 1 A 139 139 GLU CB C 139 30.553 29.663 0.890 2
1 668 . 1 1 A 139 139 GLU N N 139 122.736 127.524 -4.788 2
1 669 . 1 1 A 140 140 ALA H H 140 8.190 3.886 4.304 2
1 670 . 1 1 A 140 140 ALA C C 140 178.035 176.613 1.422 2
1 671 . 1 1 A 140 140 ALA CA C 140 52.692 51.899 0.793 2
1 672 . 1 1 A 140 140 ALA CB C 140 19.697 19.623 0.074 2
1 673 . 1 1 A 140 140 ALA N N 140 124.819 121.803 3.016 2
1 674 . 1 1 A 141 141 VAL H H 141 8.000 3.841 4.159 2
1 675 . 1 1 A 141 141 VAL C C 141 176.715 175.006 1.709 2
1 676 . 1 1 A 141 141 VAL CA C 141 62.404 61.713 0.691 2
1 677 . 1 1 A 141 141 VAL CB C 141 32.929 33.089 -0.160 2
1 678 . 1 1 A 141 141 VAL N N 141 119.985 119.484 0.501 2
1 679 . 1 1 A 142 142 VAL H H 142 8.119 4.417 3.703 2
1 680 . 1 1 A 142 142 VAL C C 142 176.233 175.744 0.489 2
1 681 . 1 1 A 142 142 VAL CA C 142 62.262 61.135 1.127 2
1 682 . 1 1 A 142 142 VAL CB C 142 33.072 34.143 -1.071 2
1 683 . 1 1 A 142 142 VAL N N 142 123.620 127.075 -3.455 2
1 684 . 1 1 A 143 143 ASP H H 143 8.389 4.753 3.636 2
1 685 . 1 1 A 143 143 ASP C C 143 177.019 176.289 0.730 2
1 686 . 1 1 A 143 143 ASP CA C 143 54.481 55.476 -0.995 2
1 687 . 1 1 A 143 143 ASP CB C 143 41.739 39.689 2.050 2
1 688 . 1 1 A 143 143 ASP N N 143 124.569 129.588 -5.019 2
1 689 . 1 1 A 144 144 GLY H H 144 8.250 4.323 3.927 2
1 690 . 1 1 A 144 144 GLY C C 144 174.435 173.564 0.871 2
1 691 . 1 1 A 144 144 GLY CA C 144 45.651 46.209 -0.558 2
1 692 . 1 1 A 144 144 GLY N N 144 109.435 103.682 5.753 2
1 693 . 1 1 A 145 145 LYS H H 145 8.105 3.814 4.290 2
1 694 . 1 1 A 145 145 LYS C C 145 176.801 174.387 2.414 2
1 695 . 1 1 A 145 145 LYS CA C 145 56.826 55.071 1.755 2
1 696 . 1 1 A 145 145 LYS CB C 145 33.429 35.917 -2.488 2
1 697 . 1 1 A 145 145 LYS N N 145 121.362 118.437 2.925 2
1 698 . 1 1 A 146 146 PHE H H 146 8.305 4.306 3.998 2
1 699 . 1 1 A 146 146 PHE C C 146 176.287 177.272 -0.985 2
1 700 . 1 1 A 146 146 PHE CA C 146 57.699 58.671 -0.972 2
1 701 . 1 1 A 146 146 PHE CB C 146 39.667 39.441 0.226 2
1 702 . 1 1 A 146 146 PHE N N 146 121.495 124.954 -3.459 2
1 703 . 1 1 A 147 147 VAL H H 147 7.984 4.253 3.731 2
1 704 . 1 1 A 147 147 VAL C C 147 176.758 175.858 0.900 2
1 705 . 1 1 A 147 147 VAL CA C 147 62.393 64.056 -1.663 2
1 706 . 1 1 A 147 147 VAL CB C 147 33.093 31.670 1.423 2
1 707 . 1 1 A 147 147 VAL N N 147 122.076 119.918 2.158 2
1 708 . 1 1 A 148 148 GLY H H 148 8.065 3.860 4.205 2
1 709 . 1 1 A 148 148 GLY C C 148 174.269 172.557 1.712 2
1 710 . 1 1 A 148 148 GLY CA C 148 45.548 45.029 0.519 2
1 711 . 1 1 A 148 148 GLY N N 148 112.426 109.776 2.650 2
1 712 . 1 1 A 149 149 LEU H H 149 8.083 4.072 4.011 2
1 713 . 1 1 A 149 149 LEU C C 149 177.678 175.394 2.284 2
1 714 . 1 1 A 149 149 LEU CA C 149 55.318 55.381 -0.063 2
1 715 . 1 1 A 149 149 LEU CB C 149 42.800 41.080 1.720 2
1 716 . 1 1 A 149 149 LEU N N 149 122.428 121.580 0.848 2
1 717 . 1 1 A 150 150 ALA H H 150 8.352 4.295 4.056 2
1 718 . 1 1 A 150 150 ALA C C 150 178.069 176.198 1.871 2
1 719 . 1 1 A 150 150 ALA CA C 150 52.607 49.850 2.757 2
1 720 . 1 1 A 150 150 ALA CB C 150 19.379 19.769 -0.390 2
1 721 . 1 1 A 150 150 ALA N N 150 125.479 128.407 -2.928 2
1 722 . 1 1 A 151 151 LEU H H 151 8.134 4.576 3.558 2
1 723 . 1 1 A 151 151 LEU C C 151 177.608 175.840 1.768 2
1 724 . 1 1 A 151 151 LEU CA C 151 55.497 53.633 1.864 2
1 725 . 1 1 A 151 151 LEU CB C 151 42.683 46.285 -3.602 2
1 726 . 1 1 A 151 151 LEU N N 151 121.826 123.632 -1.806 2
1 727 . 1 1 A 152 152 ASP H H 152 8.389 4.302 4.087 2
1 728 . 1 1 A 152 152 ASP C C 152 176.735 175.744 0.991 2
1 729 . 1 1 A 152 152 ASP CA C 152 54.242 54.059 0.183 2
1 730 . 1 1 A 152 152 ASP CB C 152 41.224 42.054 -0.830 2
1 731 . 1 1 A 152 152 ASP N N 152 121.221 120.824 0.397 2
1 732 . 1 1 A 153 153 LEU H H 153 8.047 4.378 3.668 2
1 733 . 1 1 A 153 153 LEU C C 153 177.784 177.554 0.230 2
1 734 . 1 1 A 153 153 LEU CA C 153 55.481 55.057 0.424 2
1 735 . 1 1 A 153 153 LEU CB C 153 42.523 41.710 0.813 2
1 736 . 1 1 A 153 153 LEU N N 153 122.315 126.037 -3.722 2
1 737 . 1 1 A 154 154 ASP H H 154 8.354 4.043 4.311 2
1 738 . 1 1 A 154 154 ASP C C 154 176.663 177.741 -1.078 2
1 739 . 1 1 A 154 154 ASP CA C 154 54.515 56.262 -1.747 2
1 740 . 1 1 A 154 154 ASP CB C 154 41.518 41.790 -0.272 2
1 741 . 1 1 A 154 154 ASP N N 154 120.712 119.472 1.240 2
1 742 . 1 1 A 155 155 ASN H H 155 8.290 4.077 4.213 2
1 743 . 1 1 A 155 155 ASN C C 155 175.991 175.494 0.497 2
1 744 . 1 1 A 155 155 ASN CA C 155 53.465 53.447 0.018 2
1 745 . 1 1 A 155 155 ASN CB C 155 39.230 40.048 -0.818 2
1 746 . 1 1 A 155 155 ASN N N 155 119.334 113.131 6.203 2
1 747 . 1 1 A 156 156 GLN H H 156 8.388 3.868 4.520 2
1 748 . 1 1 A 156 156 GLN C C 156 176.698 175.512 1.186 2
1 749 . 1 1 A 156 156 GLN CA C 156 56.275 54.864 1.411 2
1 750 . 1 1 A 156 156 GLN CB C 156 29.603 29.547 0.056 2
1 751 . 1 1 A 156 156 GLN N N 156 120.613 118.660 1.953 2
1 752 . 1 1 A 157 157 SER H H 157 8.308 4.112 4.196 2
1 753 . 1 1 A 157 157 SER C C 157 175.586 176.464 -0.878 2
1 754 . 1 1 A 157 157 SER CA C 157 58.678 61.074 -2.396 2
1 755 . 1 1 A 157 157 SER CB C 157 64.083 62.978 1.105 2
1 756 . 1 1 A 157 157 SER N N 157 116.788 115.209 1.579 2
1 757 . 1 1 A 158 158 GLY H H 158 8.429 4.225 4.204 2
1 758 . 1 1 A 158 158 GLY C C 158 174.571 174.854 -0.283 2
1 759 . 1 1 A 158 158 GLY CA C 158 45.614 46.608 -0.994 2
1 760 . 1 1 A 158 158 GLY N N 158 111.444 110.332 1.112 2
1 761 . 1 1 A 159 159 LYS H H 159 8.188 3.979 4.209 2
1 762 . 1 1 A 159 159 LYS C C 159 177.498 176.970 0.528 2
1 763 . 1 1 A 159 159 LYS CA C 159 56.657 56.021 0.636 2
1 764 . 1 1 A 159 159 LYS CB C 159 33.515 32.893 0.622 2
1 765 . 1 1 A 159 159 LYS N N 159 121.393 118.948 2.445 2
1 766 . 1 1 A 160 160 THR H H 160 8.183 3.841 4.342 2
1 767 . 1 1 A 160 160 THR C C 160 174.823 176.084 -1.261 2
1 768 . 1 1 A 160 160 THR CA C 160 61.836 67.387 -5.551 2
1 769 . 1 1 A 160 160 THR CB C 160 70.137 68.503 1.634 2
1 770 . 1 1 A 160 160 THR N N 160 115.195 115.519 -0.324 2
1 771 . 1 1 A 161 161 ASP H H 161 8.421 4.205 4.216 2
1 772 . 1 1 A 161 161 ASP C C 161 176.652 178.768 -2.116 2
1 773 . 1 1 A 161 161 ASP CA C 161 54.437 57.438 -3.001 2
1 774 . 1 1 A 161 161 ASP CB C 161 41.602 39.925 1.677 2
1 775 . 1 1 A 161 161 ASP N N 161 123.314 119.785 3.529 2
1 776 . 1 1 A 162 162 GLU H H 162 8.356 4.178 4.178 2
1 777 . 1 1 A 162 162 GLU C C 162 177.017 179.185 -2.168 2
1 778 . 1 1 A 162 162 GLU CA C 162 56.749 59.749 -3.000 2
1 779 . 1 1 A 162 162 GLU CB C 162 30.589 29.234 1.355 2
1 780 . 1 1 A 162 162 GLU N N 162 121.714 120.588 1.126 2
1 781 . 1 1 A 163 163 ARG H H 163 8.365 3.935 4.430 2
1 782 . 1 1 A 163 163 ARG C C 163 177.022 178.275 -1.253 2
1 783 . 1 1 A 163 163 ARG CA C 163 56.548 59.532 -2.984 2
1 784 . 1 1 A 163 163 ARG CB C 163 30.802 30.640 0.162 2
1 785 . 1 1 A 163 163 ARG N N 163 122.467 119.495 2.972 2
1 786 . 1 1 A 164 164 VAL H H 164 8.037 4.158 3.879 2
1 787 . 1 1 A 164 164 VAL C C 164 176.392 178.267 -1.875 2
1 788 . 1 1 A 164 164 VAL CA C 164 62.300 66.405 -4.105 2
1 789 . 1 1 A 164 164 VAL CB C 164 33.020 31.430 1.590 2
1 790 . 1 1 A 164 164 VAL N N 164 121.330 119.701 1.629 2
1 791 . 1 1 A 165 165 ALA H H 165 8.223 4.367 3.856 2
1 792 . 1 1 A 165 165 ALA C C 165 178.211 179.386 -1.175 2
1 793 . 1 1 A 165 165 ALA CA C 165 52.629 55.419 -2.790 2
1 794 . 1 1 A 165 165 ALA CB C 165 19.290 18.181 1.109 2
1 795 . 1 1 A 165 165 ALA N N 165 127.636 122.215 5.421 2
1 796 . 1 1 A 166 166 ALA H H 166 8.214 4.056 4.157 2
1 797 . 1 1 A 166 166 ALA C C 166 178.357 179.970 -1.613 2
1 798 . 1 1 A 166 166 ALA CA C 166 53.430 55.531 -2.101 2
1 799 . 1 1 A 166 166 ALA CB C 166 19.398 18.554 0.844 2
1 800 . 1 1 A 166 166 ALA N N 166 123.776 119.644 4.132 2
1 801 . 1 1 A 167 167 TRP H H 167 7.867 3.910 3.957 2
1 802 . 1 1 A 167 167 TRP C C 167 176.834 178.324 -1.490 2
1 803 . 1 1 A 167 167 TRP CA C 167 57.718 61.626 -3.908 2
1 804 . 1 1 A 167 167 TRP CB C 167 29.433 29.559 -0.126 2
1 805 . 1 1 A 167 167 TRP N N 167 119.007 120.765 -1.758 2
1 806 . 1 1 A 168 168 LEU H H 168 7.756 4.119 3.637 2
1 807 . 1 1 A 168 168 LEU C C 168 177.459 179.084 -1.625 2
1 808 . 1 1 A 168 168 LEU CA C 168 55.140 57.610 -2.470 2
1 809 . 1 1 A 168 168 LEU CB C 168 42.566 41.631 0.935 2
1 810 . 1 1 A 168 168 LEU N N 168 123.186 120.285 2.901 2
1 811 . 1 1 A 169 169 ALA H H 169 7.957 4.208 3.748 2
1 812 . 1 1 A 169 169 ALA C C 169 178.230 179.312 -1.082 2
1 813 . 1 1 A 169 169 ALA CA C 169 52.793 55.203 -2.410 2
1 814 . 1 1 A 169 169 ALA CB C 169 19.643 18.222 1.421 2
1 815 . 1 1 A 169 169 ALA N N 169 124.170 121.880 2.290 2
1 816 . 1 1 A 170 170 GLN H H 170 8.194 4.053 4.141 2
1 817 . 1 1 A 170 170 GLN C C 170 176.386 178.242 -1.856 2
1 818 . 1 1 A 170 170 GLN CA C 170 56.117 58.796 -2.679 2
1 819 . 1 1 A 170 170 GLN CB C 170 29.736 28.346 1.390 2
1 820 . 1 1 A 170 170 GLN N N 170 119.598 118.127 1.471 2
1 821 . 1 1 A 171 171 ILE H H 171 7.962 3.834 4.128 2
1 822 . 1 1 A 171 171 ILE C C 171 176.051 177.855 -1.804 2
1 823 . 1 1 A 171 171 ILE CA C 171 61.007 62.536 -1.529 2
1 824 . 1 1 A 171 171 ILE CB C 171 39.135 37.555 1.580 2
1 825 . 1 1 A 171 171 ILE N N 171 121.364 117.655 3.709 2
1 826 . 1 1 A 172 172 ALA H H 172 8.277 4.001 4.276 2
1 827 . 1 1 A 172 172 ALA C C 172 175.891 176.122 -0.231 2
1 828 . 1 1 A 172 172 ALA CA C 172 50.815 57.239 -6.424 2
1 829 . 1 1 A 172 172 ALA CB C 172 18.592 16.693 1.899 2
1 830 . 1 1 A 172 172 ALA N N 172 128.942 126.184 2.758 2
1 831 . 1 1 A 173 173 PRO C C 173 177.354 178.771 -1.417 2
1 832 . 1 1 A 173 173 PRO CA C 173 63.302 66.523 -3.221 2
1 833 . 1 1 A 173 173 PRO CB C 173 32.282 30.903 1.379 2
1 834 . 1 1 A 174 174 GLU H H 174 8.482 4.545 3.937 2
1 835 . 1 1 A 174 174 GLU C C 174 176.716 177.547 -0.831 2
1 836 . 1 1 A 174 174 GLU CA C 174 57.012 58.702 -1.690 2
1 837 . 1 1 A 174 174 GLU CB C 174 30.331 29.168 1.163 2
1 838 . 1 1 A 174 174 GLU N N 174 121.201 117.365 3.836 2
1 839 . 1 1 A 175 175 PHE H H 175 8.105 3.791 4.314 2
1 840 . 1 1 A 175 175 PHE C C 175 176.821 175.160 1.661 2
1 841 . 1 1 A 175 175 PHE CA C 175 57.810 57.597 0.213 2
1 842 . 1 1 A 175 175 PHE CB C 175 40.047 39.161 0.886 2
1 843 . 1 1 A 175 175 PHE N N 175 120.256 116.651 3.605 2
1 844 . 1 1 A 176 176 GLY H H 176 8.340 4.019 4.322 2
1 845 . 1 1 A 176 176 GLY C C 176 174.372 174.774 -0.402 2
1 846 . 1 1 A 176 176 GLY CA C 176 45.631 46.529 -0.898 2
1 847 . 1 1 A 176 176 GLY N N 176 110.592 109.457 1.135 2
1 848 . 1 1 A 177 177 LEU H H 177 8.063 4.002 4.061 2
1 849 . 1 1 A 177 177 LEU C C 177 177.927 177.807 0.120 2
1 850 . 1 1 A 177 177 LEU CA C 177 55.326 54.292 1.034 2
1 851 . 1 1 A 177 177 LEU CB C 177 42.853 42.532 0.321 2
1 852 . 1 1 A 177 177 LEU N N 177 122.038 121.423 0.615 2
1 853 . 1 1 A 178 178 SER H H 178 8.338 4.390 3.948 2
1 854 . 1 1 A 178 178 SER C C 178 174.483 175.795 -1.312 2
1 855 . 1 1 A 178 178 SER CA C 178 58.310 59.411 -1.101 2
1 856 . 1 1 A 178 178 SER CB C 178 64.029 63.678 0.351 2
1 857 . 1 1 A 178 178 SER N N 178 117.847 115.815 2.032 2
2 1 . 1 1 A 2 2 LYS C C 2 176.290 176.133 0.157 2
2 2 . 1 1 A 2 2 LYS CA C 2 56.469 57.528 -1.059 2
2 3 . 1 1 A 2 2 LYS CB C 2 33.253 33.585 -0.332 2
2 4 . 1 1 A 3 3 ILE H H 3 8.188 3.979 4.208 2
2 5 . 1 1 A 3 3 ILE C C 3 176.471 175.374 1.097 2
2 6 . 1 1 A 3 3 ILE CA C 3 61.354 59.426 1.928 2
2 7 . 1 1 A 3 3 ILE CB C 3 39.003 38.774 0.229 2
2 8 . 1 1 A 3 3 ILE N N 3 122.446 119.949 2.497 2
2 9 . 1 1 A 4 4 GLY H H 4 8.386 4.554 3.832 2
2 10 . 1 1 A 4 4 GLY C C 4 173.691 171.532 2.159 2
2 11 . 1 1 A 4 4 GLY CA C 4 45.416 44.381 1.035 2
2 12 . 1 1 A 4 4 GLY N N 4 113.145 115.347 -2.202 2
2 13 . 1 1 A 5 5 LEU H H 5 7.967 4.446 3.521 2
2 14 . 1 1 A 5 5 LEU C C 5 176.787 174.305 2.482 2
2 15 . 1 1 A 5 5 LEU CA C 5 55.329 53.069 2.260 2
2 16 . 1 1 A 5 5 LEU CB C 5 42.614 44.120 -1.506 2
2 17 . 1 1 A 5 5 LEU N N 5 122.122 125.710 -3.588 2
2 18 . 1 1 A 6 6 PHE H H 6 8.135 4.476 3.659 2
2 19 . 1 1 A 6 6 PHE C C 6 175.403 174.809 0.594 2
2 20 . 1 1 A 6 6 PHE CA C 6 57.605 56.373 1.232 2
2 21 . 1 1 A 6 6 PHE CB C 6 39.863 43.749 -3.886 2
2 22 . 1 1 A 6 6 PHE N N 6 120.403 125.952 -5.549 2
2 23 . 1 1 A 7 7 PHE H H 7 8.199 4.593 3.606 2
2 24 . 1 1 A 7 7 PHE C C 7 176.036 173.116 2.920 2
2 25 . 1 1 A 7 7 PHE CA C 7 57.909 55.830 2.079 2
2 26 . 1 1 A 7 7 PHE CB C 7 39.870 42.106 -2.236 2
2 27 . 1 1 A 7 7 PHE N N 7 122.138 117.850 4.288 2
2 28 . 1 1 A 8 8 GLY H H 8 8.017 4.189 3.829 2
2 29 . 1 1 A 8 8 GLY C C 8 174.016 172.485 1.531 2
2 30 . 1 1 A 8 8 GLY CA C 8 45.518 44.461 1.057 2
2 31 . 1 1 A 8 8 GLY N N 8 110.350 106.885 3.465 2
2 32 . 1 1 A 9 9 SER H H 9 8.226 4.394 3.832 2
2 33 . 1 1 A 9 9 SER C C 9 174.536 173.769 0.767 2
2 34 . 1 1 A 9 9 SER CA C 9 58.469 57.167 1.302 2
2 35 . 1 1 A 9 9 SER CB C 9 64.128 64.786 -0.658 2
2 36 . 1 1 A 9 9 SER N N 9 115.914 117.012 -1.098 2
2 37 . 1 1 A 10 10 ASN H H 10 8.624 4.418 4.207 2
2 38 . 1 1 A 10 10 ASN C C 10 175.481 176.188 -0.707 2
2 39 . 1 1 A 10 10 ASN CA C 10 53.520 54.189 -0.669 2
2 40 . 1 1 A 10 10 ASN CB C 10 38.950 40.728 -1.778 2
2 41 . 1 1 A 10 10 ASN N N 10 121.222 123.060 -1.838 2
2 42 . 1 1 A 11 11 THR H H 11 8.078 3.975 4.103 2
2 43 . 1 1 A 11 11 THR C C 11 175.162 175.078 0.084 2
2 44 . 1 1 A 11 11 THR CA C 11 62.068 61.088 0.980 2
2 45 . 1 1 A 11 11 THR CB C 11 70.021 69.254 0.767 2
2 46 . 1 1 A 11 11 THR N N 11 113.362 108.712 4.650 2
2 47 . 1 1 A 12 12 GLY H H 12 8.396 3.942 4.454 2
2 48 . 1 1 A 12 12 GLY C C 12 174.083 175.525 -1.442 2
2 49 . 1 1 A 12 12 GLY CA C 12 45.511 45.381 0.130 2
2 50 . 1 1 A 12 12 GLY N N 12 111.383 110.207 1.176 2
2 51 . 1 1 A 13 13 LYS H H 13 8.159 4.155 4.004 2
2 52 . 1 1 A 13 13 LYS C C 13 176.899 178.827 -1.928 2
2 53 . 1 1 A 13 13 LYS CA C 13 56.589 59.615 -3.026 2
2 54 . 1 1 A 13 13 LYS CB C 13 33.123 31.349 1.774 2
2 55 . 1 1 A 13 13 LYS N N 13 121.176 121.724 -0.548 2
2 56 . 1 1 A 14 14 THR H H 14 8.163 4.098 4.066 2
2 57 . 1 1 A 14 14 THR C C 14 174.478 176.246 -1.768 2
2 58 . 1 1 A 14 14 THR CA C 14 61.992 67.163 -5.171 2
2 59 . 1 1 A 14 14 THR CB C 14 70.058 68.746 1.312 2
2 60 . 1 1 A 14 14 THR N N 14 115.600 116.478 -0.878 2
2 61 . 1 1 A 15 15 ARG H H 15 8.352 4.019 4.333 2
2 62 . 1 1 A 15 15 ARG C C 15 176.095 178.214 -2.119 2
2 63 . 1 1 A 15 15 ARG CA C 15 56.208 59.330 -3.122 2
2 64 . 1 1 A 15 15 ARG CB C 15 31.189 29.404 1.785 2
2 65 . 1 1 A 15 15 ARG N N 15 124.176 119.768 4.408 2
2 66 . 1 1 A 16 16 LYS H H 16 8.373 3.875 4.498 2
2 67 . 1 1 A 16 16 LYS C C 16 176.475 178.589 -2.114 2
2 68 . 1 1 A 16 16 LYS CA C 16 56.415 59.153 -2.738 2
2 69 . 1 1 A 16 16 LYS CB C 16 33.249 32.669 0.580 2
2 70 . 1 1 A 16 16 LYS N N 16 123.840 119.415 4.425 2
2 71 . 1 1 A 17 17 VAL H H 17 8.120 4.028 4.092 2
2 72 . 1 1 A 17 17 VAL C C 17 175.764 177.947 -2.183 2
2 73 . 1 1 A 17 17 VAL CA C 17 62.088 66.127 -4.039 2
2 74 . 1 1 A 17 17 VAL CB C 17 33.110 31.553 1.557 2
2 75 . 1 1 A 17 17 VAL N N 17 121.811 119.222 2.589 2
2 76 . 1 1 A 18 18 ALA H H 18 8.348 4.080 4.268 2
2 77 . 1 1 A 18 18 ALA C C 18 177.578 180.003 -2.425 2
2 78 . 1 1 A 18 18 ALA CA C 18 52.541 55.727 -3.186 2
2 79 . 1 1 A 18 18 ALA CB C 18 19.623 18.184 1.439 2
2 80 . 1 1 A 18 18 ALA N N 18 128.384 122.162 6.222 2
2 81 . 1 1 A 19 19 LYS H H 19 8.288 4.118 4.170 2
2 82 . 1 1 A 19 19 LYS C C 19 176.619 178.909 -2.290 2
2 83 . 1 1 A 19 19 LYS CA C 19 56.674 59.077 -2.403 2
2 84 . 1 1 A 19 19 LYS CB C 19 33.380 31.989 1.391 2
2 85 . 1 1 A 19 19 LYS N N 19 121.450 117.134 4.316 2
2 86 . 1 1 A 20 20 SER H H 20 8.296 3.898 4.398 2
2 87 . 1 1 A 20 20 SER C C 20 174.465 177.277 -2.812 2
2 88 . 1 1 A 20 20 SER CA C 20 58.193 61.299 -3.106 2
2 89 . 1 1 A 20 20 SER CB C 20 63.939 62.668 1.271 2
2 90 . 1 1 A 20 20 SER N N 20 117.253 114.691 2.562 2
2 91 . 1 1 A 21 21 ILE H H 21 8.142 3.949 4.194 2
2 92 . 1 1 A 21 21 ILE C C 21 176.142 177.991 -1.849 2
2 93 . 1 1 A 21 21 ILE CA C 21 61.221 65.242 -4.021 2
2 94 . 1 1 A 21 21 ILE CB C 21 38.877 37.899 0.978 2
2 95 . 1 1 A 21 21 ILE N N 21 122.933 121.873 1.060 2
2 96 . 1 1 A 22 22 LYS H H 22 8.278 4.086 4.192 2
2 97 . 1 1 A 22 22 LYS C C 22 176.379 178.430 -2.051 2
2 98 . 1 1 A 22 22 LYS CA C 22 56.443 58.743 -2.300 2
2 99 . 1 1 A 22 22 LYS CB C 22 33.242 32.227 1.015 2
2 100 . 1 1 A 22 22 LYS N N 22 125.669 120.663 5.006 2
2 101 . 1 1 A 23 23 LYS H H 23 8.276 3.905 4.371 2
2 102 . 1 1 A 23 23 LYS C C 23 176.271 177.845 -1.574 2
2 103 . 1 1 A 23 23 LYS CA C 23 56.465 58.467 -2.002 2
2 104 . 1 1 A 23 23 LYS CB C 23 33.264 31.957 1.307 2
2 105 . 1 1 A 23 23 LYS N N 23 123.546 118.705 4.841 2
2 106 . 1 1 A 24 24 ARG H H 24 8.264 3.948 4.316 2
2 107 . 1 1 A 24 24 ARG C C 24 176.035 175.003 1.032 2
2 108 . 1 1 A 24 24 ARG CA C 24 56.326 55.543 0.783 2
2 109 . 1 1 A 24 24 ARG CB C 24 31.302 30.268 1.034 2
2 110 . 1 1 A 24 24 ARG N N 24 122.579 115.070 7.509 2
2 111 . 1 1 A 25 25 PHE H H 25 8.302 3.735 4.567 2
2 112 . 1 1 A 25 25 PHE C C 25 175.517 174.974 0.543 2
2 113 . 1 1 A 25 25 PHE CA C 25 57.761 56.587 1.174 2
2 114 . 1 1 A 25 25 PHE CB C 25 39.722 43.313 -3.591 2
2 115 . 1 1 A 25 25 PHE N N 25 121.178 119.196 1.982 2
2 116 . 1 1 A 26 26 ASP H H 26 8.364 4.314 4.051 2
2 117 . 1 1 A 26 26 ASP C C 26 175.761 176.614 -0.853 2
2 118 . 1 1 A 26 26 ASP CA C 26 54.337 54.650 -0.313 2
2 119 . 1 1 A 26 26 ASP CB C 26 41.450 41.953 -0.503 2
2 120 . 1 1 A 26 26 ASP N N 26 121.827 122.966 -1.139 2
2 121 . 1 1 A 27 27 ASP H H 27 8.219 4.479 3.740 2
2 122 . 1 1 A 27 27 ASP C C 27 176.504 176.400 0.104 2
2 123 . 1 1 A 27 27 ASP CA C 27 54.456 54.064 0.392 2
2 124 . 1 1 A 27 27 ASP CB C 27 41.476 41.413 0.063 2
2 125 . 1 1 A 27 27 ASP N N 27 120.601 121.133 -0.532 2
2 126 . 1 1 A 28 28 GLU H H 28 8.442 4.127 4.316 2
2 127 . 1 1 A 28 28 GLU C C 28 176.906 177.857 -0.951 2
2 128 . 1 1 A 28 28 GLU CA C 28 57.156 57.417 -0.261 2
2 129 . 1 1 A 28 28 GLU CB C 28 30.297 33.301 -3.004 2
2 130 . 1 1 A 28 28 GLU N N 28 121.153 119.946 1.207 2
2 131 . 1 1 A 29 29 THR H H 29 8.214 4.034 4.180 2
2 132 . 1 1 A 29 29 THR C C 29 174.958 174.579 0.379 2
2 133 . 1 1 A 29 29 THR CA C 29 62.422 64.511 -2.089 2
2 134 . 1 1 A 29 29 THR CB C 29 69.919 69.630 0.289 2
2 135 . 1 1 A 29 29 THR N N 29 114.381 113.104 1.277 2
2 136 . 1 1 A 30 30 MET H H 30 8.311 3.922 4.388 2
2 137 . 1 1 A 30 30 MET C C 30 176.343 174.252 2.091 2
2 138 . 1 1 A 30 30 MET CA C 30 55.847 54.096 1.751 2
2 139 . 1 1 A 30 30 MET CB C 30 32.939 35.817 -2.878 2
2 140 . 1 1 A 30 30 MET N N 30 122.491 118.448 4.043 2
2 141 . 1 1 A 31 31 SER H H 31 8.233 4.335 3.898 2
2 142 . 1 1 A 31 31 SER C C 31 174.482 174.269 0.213 2
2 143 . 1 1 A 31 31 SER CA C 31 58.712 57.650 1.062 2
2 144 . 1 1 A 31 31 SER CB C 31 63.975 65.636 -1.661 2
2 145 . 1 1 A 31 31 SER N N 31 116.737 118.343 -1.606 2
2 146 . 1 1 A 32 32 ASP H H 32 8.391 4.346 4.045 2
2 147 . 1 1 A 32 32 ASP C C 32 176.078 176.519 -0.441 2
2 148 . 1 1 A 32 32 ASP CA C 32 54.520 54.597 -0.077 2
2 149 . 1 1 A 32 32 ASP CB C 32 41.436 41.437 -0.001 2
2 150 . 1 1 A 32 32 ASP N N 32 122.811 121.274 1.537 2
2 151 . 1 1 A 33 33 ALA H H 33 8.113 4.120 3.994 2
2 152 . 1 1 A 33 33 ALA C C 33 177.691 177.009 0.682 2
2 153 . 1 1 A 33 33 ALA CA C 33 52.900 52.434 0.466 2
2 154 . 1 1 A 33 33 ALA CB C 33 19.524 18.793 0.731 2
2 155 . 1 1 A 33 33 ALA N N 33 123.614 124.558 -0.944 2
2 156 . 1 1 A 34 34 LEU H H 34 8.107 4.439 3.668 2
2 157 . 1 1 A 34 34 LEU C C 34 177.185 175.325 1.860 2
2 158 . 1 1 A 34 34 LEU CA C 34 55.457 53.291 2.166 2
2 159 . 1 1 A 34 34 LEU CB C 34 42.552 44.206 -1.654 2
2 160 . 1 1 A 34 34 LEU N N 34 120.428 124.344 -3.916 2
2 161 . 1 1 A 35 35 ASN H H 35 8.314 4.319 3.994 2
2 162 . 1 1 A 35 35 ASN C C 35 175.304 176.024 -0.720 2
2 163 . 1 1 A 35 35 ASN CA C 35 53.298 52.608 0.690 2
2 164 . 1 1 A 35 35 ASN CB C 35 38.946 39.487 -0.541 2
2 165 . 1 1 A 35 35 ASN N N 35 119.645 121.571 -1.926 2
2 166 . 1 1 A 36 36 VAL H H 36 7.956 4.368 3.588 2
2 167 . 1 1 A 36 36 VAL C C 36 175.779 176.892 -1.113 2
2 168 . 1 1 A 36 36 VAL CA C 36 62.504 63.726 -1.222 2
2 169 . 1 1 A 36 36 VAL CB C 36 32.819 30.163 2.656 2
2 170 . 1 1 A 36 36 VAL N N 36 119.399 123.686 -4.287 2
2 171 . 1 1 A 37 37 ASN H H 37 8.427 4.193 4.234 2
2 172 . 1 1 A 37 37 ASN C C 37 175.003 176.469 -1.466 2
2 173 . 1 1 A 37 37 ASN CA C 37 53.434 56.378 -2.944 2
2 174 . 1 1 A 37 37 ASN CB C 37 39.231 38.059 1.172 2
2 175 . 1 1 A 37 37 ASN N N 37 121.615 119.564 2.051 2
2 176 . 1 1 A 38 38 ARG H H 38 8.167 3.962 4.205 2
2 177 . 1 1 A 38 38 ARG C C 38 176.187 175.255 0.932 2
2 178 . 1 1 A 38 38 ARG CA C 38 56.349 54.804 1.545 2
2 179 . 1 1 A 38 38 ARG CB C 38 31.058 30.202 0.856 2
2 180 . 1 1 A 38 38 ARG N N 38 121.699 115.389 6.310 2
2 181 . 1 1 A 39 39 VAL H H 39 8.143 3.772 4.371 2
2 182 . 1 1 A 39 39 VAL C C 39 176.145 175.630 0.515 2
2 183 . 1 1 A 39 39 VAL CA C 39 62.444 61.569 0.875 2
2 184 . 1 1 A 39 39 VAL CB C 39 32.966 32.978 -0.012 2
2 185 . 1 1 A 39 39 VAL N N 39 121.185 121.463 -0.278 2
2 186 . 1 1 A 40 40 SER H H 40 8.423 4.410 4.013 2
2 187 . 1 1 A 40 40 SER C C 40 174.507 175.702 -1.195 2
2 188 . 1 1 A 40 40 SER CA C 40 58.175 58.746 -0.571 2
2 189 . 1 1 A 40 40 SER CB C 40 64.213 64.173 0.040 2
2 190 . 1 1 A 40 40 SER N N 40 119.803 123.006 -3.203 2
2 191 . 1 1 A 41 41 ALA H H 41 8.398 4.567 3.831 2
2 192 . 1 1 A 41 41 ALA C C 41 178.122 179.610 -1.488 2
2 193 . 1 1 A 41 41 ALA CA C 41 53.264 55.021 -1.757 2
2 194 . 1 1 A 41 41 ALA CB C 41 19.427 18.133 1.294 2
2 195 . 1 1 A 41 41 ALA N N 41 126.279 127.044 -0.765 2
2 196 . 1 1 A 42 42 GLU H H 42 8.342 4.050 4.293 2
2 197 . 1 1 A 42 42 GLU C C 42 176.439 178.833 -2.394 2
2 198 . 1 1 A 42 42 GLU CA C 42 57.125 59.652 -2.527 2
2 199 . 1 1 A 42 42 GLU CB C 42 30.110 29.364 0.746 2
2 200 . 1 1 A 42 42 GLU N N 42 118.927 119.178 -0.251 2
2 201 . 1 1 A 43 43 ASP H H 43 8.131 4.085 4.045 2
2 202 . 1 1 A 43 43 ASP C C 43 176.196 178.708 -2.512 2
2 203 . 1 1 A 43 43 ASP CA C 43 54.788 57.004 -2.216 2
2 204 . 1 1 A 43 43 ASP CB C 43 41.340 41.033 0.307 2
2 205 . 1 1 A 43 43 ASP N N 43 120.573 119.871 0.702 2
2 206 . 1 1 A 44 44 PHE H H 44 8.026 4.079 3.947 2
2 207 . 1 1 A 44 44 PHE C C 44 175.804 178.134 -2.330 2
2 208 . 1 1 A 44 44 PHE CA C 44 58.045 61.315 -3.270 2
2 209 . 1 1 A 44 44 PHE CB C 44 39.706 38.438 1.268 2
2 210 . 1 1 A 44 44 PHE N N 44 120.316 122.082 -1.766 2
2 211 . 1 1 A 45 45 ALA H H 45 8.153 4.221 3.932 2
2 212 . 1 1 A 45 45 ALA C C 45 177.786 179.781 -1.995 2
2 213 . 1 1 A 45 45 ALA CA C 45 53.096 54.968 -1.872 2
2 214 . 1 1 A 45 45 ALA CB C 45 19.294 18.463 0.831 2
2 215 . 1 1 A 45 45 ALA N N 45 124.324 121.534 2.790 2
2 216 . 1 1 A 46 46 GLN H H 46 8.111 4.173 3.938 2
2 217 . 1 1 A 46 46 GLN C C 46 176.003 175.885 0.118 2
2 218 . 1 1 A 46 46 GLN CA C 46 56.488 57.715 -1.227 2
2 219 . 1 1 A 46 46 GLN CB C 46 29.402 28.402 1.000 2
2 220 . 1 1 A 46 46 GLN N N 46 118.656 114.724 3.932 2
2 221 . 1 1 A 47 47 TYR H H 47 7.996 3.822 4.174 2
2 222 . 1 1 A 47 47 TYR C C 47 175.891 176.151 -0.260 2
2 223 . 1 1 A 47 47 TYR CA C 47 58.294 59.361 -1.067 2
2 224 . 1 1 A 47 47 TYR CB C 47 38.789 39.065 -0.276 2
2 225 . 1 1 A 47 47 TYR N N 47 120.253 119.421 0.832 2
2 226 . 1 1 A 48 48 GLN H H 48 8.158 4.506 3.652 2
2 227 . 1 1 A 48 48 GLN C C 48 175.605 174.985 0.620 2
2 228 . 1 1 A 48 48 GLN CA C 48 56.504 57.148 -0.644 2
2 229 . 1 1 A 48 48 GLN CB C 48 29.430 29.885 -0.455 2
2 230 . 1 1 A 48 48 GLN N N 48 120.896 125.457 -4.561 2
2 231 . 1 1 A 49 49 PHE H H 49 7.961 3.819 4.142 2
2 232 . 1 1 A 49 49 PHE C C 49 175.591 174.877 0.714 2
2 233 . 1 1 A 49 49 PHE CA C 49 57.926 56.452 1.474 2
2 234 . 1 1 A 49 49 PHE CB C 49 39.503 42.639 -3.136 2
2 235 . 1 1 A 49 49 PHE N N 49 119.933 116.856 3.077 2
2 236 . 1 1 A 50 50 LEU H H 50 8.041 4.494 3.547 2
2 237 . 1 1 A 50 50 LEU C C 50 176.898 176.121 0.777 2
2 238 . 1 1 A 50 50 LEU CA C 50 55.460 53.603 1.857 2
2 239 . 1 1 A 50 50 LEU CB C 50 42.704 46.255 -3.551 2
2 240 . 1 1 A 50 50 LEU N N 50 122.948 123.308 -0.360 2
2 241 . 1 1 A 51 51 ILE H H 51 8.038 4.415 3.623 2
2 242 . 1 1 A 51 51 ILE C C 51 176.182 174.643 1.539 2
2 243 . 1 1 A 51 51 ILE CA C 51 61.279 59.974 1.305 2
2 244 . 1 1 A 51 51 ILE CB C 51 38.533 40.495 -1.962 2
2 245 . 1 1 A 51 51 ILE N N 51 121.804 123.337 -1.533 2
2 246 . 1 1 A 52 52 LEU H H 52 8.226 4.487 3.739 2
2 247 . 1 1 A 52 52 LEU C C 52 177.694 175.546 2.148 2
2 248 . 1 1 A 52 52 LEU CA C 52 55.289 53.070 2.219 2
2 249 . 1 1 A 52 52 LEU CB C 52 42.596 45.272 -2.676 2
2 250 . 1 1 A 52 52 LEU N N 52 125.841 127.625 -1.784 2
2 251 . 1 1 A 53 53 GLY H H 53 8.264 4.495 3.768 2
2 252 . 1 1 A 53 53 GLY C C 53 173.722 172.111 1.611 2
2 253 . 1 1 A 53 53 GLY CA C 53 45.298 43.089 2.209 2
2 254 . 1 1 A 53 53 GLY N N 53 109.533 112.008 -2.475 2
2 255 . 1 1 A 54 54 THR H H 54 8.030 4.317 3.713 2
2 256 . 1 1 A 54 54 THR C C 54 173.014 172.285 0.729 2
2 257 . 1 1 A 54 54 THR CA C 54 59.907 58.661 1.246 2
2 258 . 1 1 A 54 54 THR CB C 54 69.817 72.133 -2.316 2
2 259 . 1 1 A 54 54 THR N N 54 115.837 115.354 0.483 2
2 260 . 1 1 A 55 55 PRO C C 55 176.975 175.172 1.803 2
2 261 . 1 1 A 55 55 PRO CA C 55 63.457 62.205 1.252 2
2 262 . 1 1 A 56 56 THR H H 56 8.222 4.182 4.040 2
2 263 . 1 1 A 56 56 THR C C 56 174.630 173.256 1.374 2
2 264 . 1 1 A 56 56 THR CA C 56 61.941 60.720 1.221 2
2 265 . 1 1 A 56 56 THR CB C 56 70.073 70.572 -0.499 2
2 266 . 1 1 A 56 56 THR N N 56 114.912 113.715 1.197 2
2 267 . 1 1 A 57 57 LEU H H 57 8.259 4.501 3.758 2
2 268 . 1 1 A 57 57 LEU C C 57 177.724 177.018 0.706 2
2 269 . 1 1 A 57 57 LEU CA C 57 55.510 53.137 2.373 2
2 270 . 1 1 A 57 57 LEU CB C 57 42.578 44.125 -1.547 2
2 271 . 1 1 A 57 57 LEU N N 57 124.721 126.368 -1.647 2
2 272 . 1 1 A 58 58 GLY H H 58 8.482 4.226 4.255 2
2 273 . 1 1 A 58 58 GLY C C 58 174.181 174.914 -0.733 2
2 274 . 1 1 A 58 58 GLY CA C 58 45.387 46.377 -0.990 2
2 275 . 1 1 A 58 58 GLY N N 58 110.292 109.272 1.020 2
2 276 . 1 1 A 59 59 GLU H H 59 8.330 4.630 3.700 2
2 277 . 1 1 A 59 59 GLU C C 59 177.077 176.615 0.462 2
2 278 . 1 1 A 59 59 GLU CA C 59 56.875 57.588 -0.713 2
2 279 . 1 1 A 59 59 GLU CB C 59 30.452 28.246 2.206 2
2 280 . 1 1 A 59 59 GLU N N 59 120.848 122.506 -1.658 2
2 281 . 1 1 A 60 60 GLY H H 60 8.474 4.355 4.119 2
2 282 . 1 1 A 60 60 GLY C C 60 173.849 173.948 -0.099 2
2 283 . 1 1 A 60 60 GLY CA C 60 45.387 46.931 -1.544 2
2 284 . 1 1 A 60 60 GLY N N 60 110.101 104.383 5.718 2
2 285 . 1 1 A 61 61 GLU H H 61 8.153 3.950 4.204 2
2 286 . 1 1 A 61 61 GLU C C 61 176.253 175.629 0.624 2
2 287 . 1 1 A 61 61 GLU CA C 61 56.257 54.529 1.728 2
2 288 . 1 1 A 61 61 GLU CB C 61 30.809 31.819 -1.010 2
2 289 . 1 1 A 61 61 GLU N N 61 120.499 118.684 1.815 2
2 290 . 1 1 A 62 62 LEU H H 62 8.292 4.261 4.030 2
2 291 . 1 1 A 62 62 LEU C C 62 175.283 175.156 0.127 2
2 292 . 1 1 A 62 62 LEU CA C 62 53.205 53.382 -0.177 2
2 293 . 1 1 A 62 62 LEU CB C 62 41.808 41.041 0.767 2
2 294 . 1 1 A 62 62 LEU N N 62 124.170 122.145 2.025 2
2 295 . 1 1 A 63 63 PRO C C 63 177.437 176.551 0.886 2
2 296 . 1 1 A 63 63 PRO CA C 63 63.533 62.918 0.615 2
2 297 . 1 1 A 64 64 GLY H H 64 8.413 4.043 4.370 2
2 298 . 1 1 A 64 64 GLY C C 64 174.035 174.300 -0.265 2
2 299 . 1 1 A 64 64 GLY CA C 64 45.496 45.361 0.135 2
2 300 . 1 1 A 64 64 GLY N N 64 109.355 107.049 2.306 2
2 301 . 1 1 A 65 65 LEU H H 65 8.105 4.489 3.615 2
2 302 . 1 1 A 65 65 LEU C C 65 177.658 178.755 -1.097 2
2 303 . 1 1 A 65 65 LEU CA C 65 55.280 57.180 -1.900 2
2 304 . 1 1 A 65 65 LEU CB C 65 42.749 41.500 1.249 2
2 305 . 1 1 A 65 65 LEU N N 65 121.929 121.195 0.734 2
2 306 . 1 1 A 66 66 SER H H 66 8.362 4.037 4.325 2
2 307 . 1 1 A 66 66 SER C C 66 174.788 175.596 -0.808 2
2 308 . 1 1 A 66 66 SER CA C 66 58.438 61.447 -3.009 2
2 309 . 1 1 A 66 66 SER CB C 66 64.024 63.261 0.763 2
2 310 . 1 1 A 66 66 SER N N 66 116.929 115.729 1.200 2
2 311 . 1 1 A 67 67 SER H H 67 8.368 3.893 4.476 2
2 312 . 1 1 A 67 67 SER C C 67 174.494 173.775 0.719 2
2 313 . 1 1 A 67 67 SER CA C 67 58.499 58.088 0.411 2
2 314 . 1 1 A 67 67 SER CB C 67 63.979 63.207 0.772 2
2 315 . 1 1 A 67 67 SER N N 67 117.831 113.175 4.656 2
2 316 . 1 1 A 68 68 ASP H H 68 8.386 4.067 4.319 2
2 317 . 1 1 A 68 68 ASP C C 68 176.083 175.092 0.991 2
2 318 . 1 1 A 68 68 ASP CA C 68 54.520 55.413 -0.893 2
2 319 . 1 1 A 68 68 ASP CB C 68 41.436 39.103 2.333 2
2 320 . 1 1 A 68 68 ASP N N 68 122.886 116.966 5.920 2
2 321 . 1 1 A 69 69 ALA H H 69 8.097 3.832 4.265 2
2 322 . 1 1 A 69 69 ALA C C 69 177.944 177.945 -0.001 2
2 323 . 1 1 A 69 69 ALA CA C 69 52.900 52.150 0.750 2
2 324 . 1 1 A 69 69 ALA CB C 69 19.524 19.594 -0.070 2
2 325 . 1 1 A 69 69 ALA N N 69 123.636 120.069 3.567 2
2 326 . 1 1 A 70 70 GLU H H 70 8.293 4.369 3.924 2
2 327 . 1 1 A 70 70 GLU C C 70 176.415 175.777 0.638 2
2 328 . 1 1 A 70 70 GLU CA C 70 56.858 59.825 -2.967 2
2 329 . 1 1 A 70 70 GLU CB C 70 30.195 29.820 0.375 2
2 330 . 1 1 A 70 70 GLU N N 70 119.386 121.347 -1.961 2
2 331 . 1 1 A 71 71 ASN H H 71 8.242 4.035 4.207 2
2 332 . 1 1 A 71 71 ASN C C 71 175.266 174.991 0.275 2
2 333 . 1 1 A 71 71 ASN CA C 71 53.483 51.900 1.583 2
2 334 . 1 1 A 71 71 ASN CB C 71 39.208 41.777 -2.569 2
2 335 . 1 1 A 71 71 ASN N N 71 118.991 115.782 3.209 2
2 336 . 1 1 A 72 72 GLU H H 72 8.350 4.255 4.095 2
2 337 . 1 1 A 72 72 GLU C C 72 176.493 176.411 0.082 2
2 338 . 1 1 A 72 72 GLU CA C 72 56.753 57.187 -0.434 2
2 339 . 1 1 A 72 72 GLU CB C 72 30.365 30.646 -0.281 2
2 340 . 1 1 A 72 72 GLU N N 72 121.213 120.797 0.416 2
2 341 . 1 1 A 73 73 SER H H 73 8.305 4.313 3.992 2
2 342 . 1 1 A 73 73 SER C C 73 174.519 173.452 1.067 2
2 343 . 1 1 A 73 73 SER CA C 73 58.738 56.125 2.613 2
2 344 . 1 1 A 73 73 SER CB C 73 63.970 65.204 -1.234 2
2 345 . 1 1 A 73 73 SER N N 73 116.551 114.748 1.803 2
2 346 . 1 1 A 74 74 TRP H H 74 8.083 4.468 3.615 2
2 347 . 1 1 A 74 74 TRP C C 74 176.278 178.518 -2.240 2
2 348 . 1 1 A 74 74 TRP CA C 74 57.662 60.658 -2.996 2
2 349 . 1 1 A 74 74 TRP CB C 74 29.736 29.336 0.400 2
2 350 . 1 1 A 74 74 TRP N N 74 123.121 124.421 -1.300 2
2 351 . 1 1 A 75 75 GLU H H 75 8.116 4.172 3.944 2
2 352 . 1 1 A 75 75 GLU C C 75 176.152 179.139 -2.987 2
2 353 . 1 1 A 75 75 GLU CA C 75 56.790 59.926 -3.136 2
2 354 . 1 1 A 75 75 GLU CB C 75 30.414 29.278 1.136 2
2 355 . 1 1 A 75 75 GLU N N 75 121.859 119.586 2.273 2
2 356 . 1 1 A 76 76 GLU H H 76 8.136 4.066 4.069 2
2 357 . 1 1 A 76 76 GLU C C 76 175.887 178.571 -2.684 2
2 358 . 1 1 A 76 76 GLU CA C 76 56.842 58.156 -1.314 2
2 359 . 1 1 A 76 76 GLU CB C 76 30.400 29.628 0.772 2
2 360 . 1 1 A 76 76 GLU N N 76 121.112 119.189 1.923 2
2 361 . 1 1 A 77 77 PHE H H 77 8.110 4.117 3.993 2
2 362 . 1 1 A 77 77 PHE C C 77 175.081 177.159 -2.078 2
2 363 . 1 1 A 77 77 PHE CA C 77 57.510 61.224 -3.714 2
2 364 . 1 1 A 77 77 PHE CB C 77 39.870 38.786 1.084 2
2 365 . 1 1 A 77 77 PHE N N 77 120.784 123.091 -2.307 2
2 366 . 1 1 A 78 78 LEU H H 78 8.025 4.109 3.916 2
2 367 . 1 1 A 78 78 LEU C C 78 174.621 175.794 -1.173 2
2 368 . 1 1 A 78 78 LEU CA C 78 52.829 59.706 -6.877 2
2 369 . 1 1 A 78 78 LEU CB C 78 42.120 39.507 2.613 2
2 370 . 1 1 A 78 78 LEU N N 78 125.189 119.357 5.832 2
2 371 . 1 1 A 79 79 PRO C C 79 176.683 178.697 -2.014 2
2 372 . 1 1 A 79 79 PRO CA C 79 62.997 65.180 -2.183 2
2 373 . 1 1 A 80 80 LYS H H 80 8.394 4.226 4.168 2
2 374 . 1 1 A 80 80 LYS C C 80 176.640 178.093 -1.453 2
2 375 . 1 1 A 80 80 LYS CA C 80 56.689 58.191 -1.502 2
2 376 . 1 1 A 80 80 LYS CB C 80 32.877 32.101 0.776 2
2 377 . 1 1 A 80 80 LYS N N 80 122.285 116.677 5.608 2
2 378 . 1 1 A 81 81 ILE H H 81 8.133 3.824 4.309 2
2 379 . 1 1 A 81 81 ILE C C 81 176.041 177.188 -1.147 2
2 380 . 1 1 A 81 81 ILE CA C 81 61.191 60.432 0.759 2
2 381 . 1 1 A 81 81 ILE CB C 81 38.931 38.386 0.545 2
2 382 . 1 1 A 81 81 ILE N N 81 122.283 112.047 10.236 2
2 383 . 1 1 A 82 82 GLU H H 82 8.448 4.250 4.197 2
2 384 . 1 1 A 82 82 GLU C C 82 176.739 177.382 -0.643 2
2 385 . 1 1 A 82 82 GLU CA C 82 56.819 58.461 -1.642 2
2 386 . 1 1 A 82 82 GLU CB C 82 30.519 28.768 1.751 2
2 387 . 1 1 A 82 82 GLU N N 82 125.181 124.090 1.091 2
2 388 . 1 1 A 83 83 GLY H H 83 8.369 4.023 4.346 2
2 389 . 1 1 A 83 83 GLY C C 83 173.961 174.226 -0.265 2
2 390 . 1 1 A 83 83 GLY CA C 83 45.491 45.019 0.472 2
2 391 . 1 1 A 83 83 GLY N N 83 110.198 107.873 2.325 2
2 392 . 1 1 A 84 84 LEU H H 84 8.023 3.668 4.354 2
2 393 . 1 1 A 84 84 LEU C C 84 176.858 175.999 0.859 2
2 394 . 1 1 A 84 84 LEU CA C 84 55.269 54.171 1.098 2
2 395 . 1 1 A 84 84 LEU CB C 84 42.753 42.830 -0.077 2
2 396 . 1 1 A 84 84 LEU N N 84 121.581 120.917 0.664 2
2 397 . 1 1 A 85 85 ASP H H 85 8.315 4.229 4.087 2
2 398 . 1 1 A 85 85 ASP C C 85 175.923 175.932 -0.009 2
2 399 . 1 1 A 85 85 ASP CA C 85 54.155 52.493 1.662 2
2 400 . 1 1 A 85 85 ASP CB C 85 41.423 43.596 -2.173 2
2 401 . 1 1 A 85 85 ASP N N 85 120.660 123.389 -2.729 2
2 402 . 1 1 A 86 86 PHE H H 86 8.182 4.261 3.921 2
2 403 . 1 1 A 86 86 PHE C C 86 175.915 175.937 -0.022 2
2 404 . 1 1 A 86 86 PHE CA C 86 58.017 57.036 0.981 2
2 405 . 1 1 A 86 86 PHE CB C 86 39.382 39.363 0.019 2
2 406 . 1 1 A 86 86 PHE N N 86 121.189 124.290 -3.101 2
2 407 . 1 1 A 87 87 SER H H 87 8.344 3.849 4.495 2
2 408 . 1 1 A 87 87 SER C C 87 174.949 175.745 -0.796 2
2 409 . 1 1 A 87 87 SER CA C 87 58.818 60.547 -1.729 2
2 410 . 1 1 A 87 87 SER CB C 87 64.052 62.981 1.071 2
2 411 . 1 1 A 87 87 SER N N 87 117.556 114.733 2.823 2
2 412 . 1 1 A 88 88 GLY H H 88 8.078 4.091 3.986 2
2 413 . 1 1 A 88 88 GLY C C 88 173.985 173.379 0.606 2
2 414 . 1 1 A 88 88 GLY CA C 88 45.564 45.325 0.239 2
2 415 . 1 1 A 88 88 GLY N N 88 110.844 112.851 -2.007 2
2 416 . 1 1 A 89 89 LYS H H 89 8.151 3.969 4.183 2
2 417 . 1 1 A 89 89 LYS C C 89 176.850 175.687 1.163 2
2 418 . 1 1 A 89 89 LYS CA C 89 56.689 54.103 2.586 2
2 419 . 1 1 A 89 89 LYS CB C 89 33.134 34.510 -1.376 2
2 420 . 1 1 A 89 89 LYS N N 89 121.002 120.167 0.835 2
2 421 . 1 1 A 90 90 THR H H 90 8.172 4.351 3.821 2
2 422 . 1 1 A 90 90 THR C C 90 174.560 173.416 1.144 2
2 423 . 1 1 A 90 90 THR CA C 90 61.992 61.791 0.201 2
2 424 . 1 1 A 90 90 THR CB C 90 70.058 70.181 -0.123 2
2 425 . 1 1 A 90 90 THR N N 90 115.684 116.087 -0.403 2
2 426 . 1 1 A 91 91 VAL H H 91 8.072 4.474 3.598 2
2 427 . 1 1 A 91 91 VAL C C 91 175.603 174.759 0.844 2
2 428 . 1 1 A 91 91 VAL CA C 91 62.285 60.275 2.010 2
2 429 . 1 1 A 91 91 VAL CB C 91 32.957 35.325 -2.368 2
2 430 . 1 1 A 91 91 VAL N N 91 122.280 125.597 -3.317 2
2 431 . 1 1 A 92 92 ALA H H 92 8.231 4.440 3.791 2
2 432 . 1 1 A 92 92 ALA C C 92 177.272 176.049 1.223 2
2 433 . 1 1 A 92 92 ALA CA C 92 52.453 50.547 1.906 2
2 434 . 1 1 A 92 92 ALA CB C 92 19.550 22.348 -2.798 2
2 435 . 1 1 A 92 92 ALA N N 92 127.366 128.298 -0.932 2
2 436 . 1 1 A 93 93 LEU H H 93 8.046 4.484 3.562 2
2 437 . 1 1 A 93 93 LEU C C 93 176.991 175.913 1.078 2
2 438 . 1 1 A 93 93 LEU CA C 93 55.346 53.820 1.526 2
2 439 . 1 1 A 93 93 LEU CB C 93 42.565 45.147 -2.582 2
2 440 . 1 1 A 93 93 LEU N N 93 121.610 122.932 -1.322 2
2 441 . 1 1 A 94 94 PHE H H 94 8.088 4.473 3.615 2
2 442 . 1 1 A 94 94 PHE C C 94 176.203 173.201 3.002 2
2 443 . 1 1 A 94 94 PHE CA C 94 57.703 54.876 2.827 2
2 444 . 1 1 A 94 94 PHE CB C 94 39.884 41.965 -2.081 2
2 445 . 1 1 A 94 94 PHE N N 94 119.690 119.126 0.564 2
2 446 . 1 1 A 95 95 GLY H H 95 8.348 4.412 3.936 2
2 447 . 1 1 A 95 95 GLY C C 95 174.089 171.712 2.377 2
2 448 . 1 1 A 95 95 GLY CA C 95 45.565 43.649 1.916 2
2 449 . 1 1 A 95 95 GLY N N 95 110.432 108.401 2.031 2
2 450 . 1 1 A 96 96 LEU H H 96 8.120 4.303 3.817 2
2 451 . 1 1 A 96 96 LEU C C 96 177.972 176.709 1.263 2
2 452 . 1 1 A 96 96 LEU CA C 96 55.531 53.052 2.479 2
2 453 . 1 1 A 96 96 LEU CB C 96 42.581 45.129 -2.548 2
2 454 . 1 1 A 96 96 LEU N N 96 121.651 122.383 -0.732 2
2 455 . 1 1 A 97 97 GLY H H 97 8.425 4.143 4.282 2
2 456 . 1 1 A 97 97 GLY C C 97 173.998 171.507 2.491 2
2 457 . 1 1 A 97 97 GLY CA C 97 45.496 45.732 -0.236 2
2 458 . 1 1 A 97 97 GLY N N 97 109.551 109.411 0.140 2
2 459 . 1 1 A 98 98 ASP H H 98 8.233 4.308 3.925 2
2 460 . 1 1 A 98 98 ASP C C 98 176.249 176.362 -0.113 2
2 461 . 1 1 A 98 98 ASP CA C 98 54.456 52.739 1.717 2
2 462 . 1 1 A 98 98 ASP CB C 98 41.476 42.285 -0.809 2
2 463 . 1 1 A 98 98 ASP N N 98 120.657 120.373 0.284 2
2 464 . 1 1 A 99 99 GLN H H 99 8.302 4.423 3.879 2
2 465 . 1 1 A 99 99 GLN C C 99 175.864 177.661 -1.797 2
2 466 . 1 1 A 99 99 GLN CA C 99 56.025 57.991 -1.966 2
2 467 . 1 1 A 99 99 GLN CB C 99 29.484 27.487 1.997 2
2 468 . 1 1 A 99 99 GLN N N 99 120.036 124.896 -4.860 2
2 469 . 1 1 A 100 100 VAL H H 100 8.005 3.924 4.082 2
2 470 . 1 1 A 100 100 VAL C C 100 176.364 178.754 -2.390 2
2 471 . 1 1 A 100 100 VAL CA C 100 62.511 66.249 -3.738 2
2 472 . 1 1 A 100 100 VAL CB C 100 32.850 31.990 0.860 2
2 473 . 1 1 A 100 100 VAL N N 100 120.231 120.111 0.120 2
2 474 . 1 1 A 101 101 GLY H H 101 8.291 4.093 4.197 2
2 475 . 1 1 A 101 101 GLY C C 101 173.227 173.882 -0.655 2
2 476 . 1 1 A 101 101 GLY CA C 101 45.112 45.560 -0.448 2
2 477 . 1 1 A 101 101 GLY N N 101 111.987 108.055 3.932 2
2 478 . 1 1 A 102 102 TYR H H 102 8.039 3.887 4.152 2
2 479 . 1 1 A 102 102 TYR C C 102 174.041 175.149 -1.108 2
2 480 . 1 1 A 102 102 TYR CA C 102 56.105 55.397 0.708 2
2 481 . 1 1 A 102 102 TYR CB C 102 38.525 38.674 -0.149 2
2 482 . 1 1 A 102 102 TYR N N 102 120.880 118.104 2.776 2
2 483 . 1 1 A 103 103 PRO C C 103 176.913 177.575 -0.662 2
2 484 . 1 1 A 103 103 PRO CA C 103 63.251 65.280 -2.029 2
2 485 . 1 1 A 104 104 GLU H H 104 8.601 4.187 4.414 2
2 486 . 1 1 A 104 104 GLU C C 104 176.490 177.156 -0.666 2
2 487 . 1 1 A 104 104 GLU CA C 104 57.578 56.882 0.696 2
2 488 . 1 1 A 104 104 GLU CB C 104 30.044 30.267 -0.223 2
2 489 . 1 1 A 104 104 GLU N N 104 121.154 117.334 3.820 2
2 490 . 1 1 A 105 105 ASN H H 105 8.374 3.966 4.409 2
2 491 . 1 1 A 105 105 ASN C C 105 175.289 174.486 0.803 2
2 492 . 1 1 A 105 105 ASN CA C 105 53.542 52.589 0.953 2
2 493 . 1 1 A 105 105 ASN CB C 105 38.917 39.826 -0.909 2
2 494 . 1 1 A 105 105 ASN N N 105 118.179 117.238 0.941 2
2 495 . 1 1 A 106 106 TYR H H 106 8.009 3.783 4.226 2
2 496 . 1 1 A 106 106 TYR C C 106 175.875 176.413 -0.538 2
2 497 . 1 1 A 106 106 TYR CA C 106 58.812 59.460 -0.648 2
2 498 . 1 1 A 106 106 TYR CB C 106 38.847 38.195 0.652 2
2 499 . 1 1 A 106 106 TYR N N 106 120.765 123.506 -2.741 2
2 500 . 1 1 A 107 107 LEU H H 107 8.000 4.451 3.549 2
2 501 . 1 1 A 107 107 LEU C C 107 177.495 175.935 1.560 2
2 502 . 1 1 A 107 107 LEU CA C 107 55.791 55.866 -0.075 2
2 503 . 1 1 A 107 107 LEU CB C 107 42.316 38.889 3.427 2
2 504 . 1 1 A 107 107 LEU N N 107 122.024 125.165 -3.141 2
2 505 . 1 1 A 108 108 ASP H H 108 8.127 4.083 4.044 2
2 506 . 1 1 A 108 108 ASP C C 108 176.448 178.496 -2.048 2
2 507 . 1 1 A 108 108 ASP CA C 108 54.788 57.260 -2.472 2
2 508 . 1 1 A 108 108 ASP CB C 108 41.340 40.395 0.945 2
2 509 . 1 1 A 108 108 ASP N N 108 120.540 118.908 1.632 2
2 510 . 1 1 A 109 109 ALA H H 109 8.017 3.905 4.112 2
2 511 . 1 1 A 109 109 ALA C C 109 178.080 179.774 -1.694 2
2 512 . 1 1 A 109 109 ALA CA C 109 53.218 54.963 -1.745 2
2 513 . 1 1 A 109 109 ALA CB C 109 19.399 18.416 0.983 2
2 514 . 1 1 A 109 109 ALA N N 109 123.272 121.846 1.426 2
2 515 . 1 1 A 110 110 LEU H H 110 8.061 4.136 3.925 2
2 516 . 1 1 A 110 110 LEU C C 110 178.084 178.834 -0.750 2
2 517 . 1 1 A 110 110 LEU CA C 110 55.913 57.024 -1.111 2
2 518 . 1 1 A 110 110 LEU CB C 110 42.274 42.017 0.257 2
2 519 . 1 1 A 110 110 LEU N N 110 120.025 120.073 -0.048 2
2 520 . 1 1 A 111 111 GLY H H 111 8.190 4.130 4.060 2
2 521 . 1 1 A 111 111 GLY C C 111 174.472 175.604 -1.132 2
2 522 . 1 1 A 111 111 GLY CA C 111 45.809 47.182 -1.373 2
2 523 . 1 1 A 111 111 GLY N N 111 108.490 106.872 1.618 2
2 524 . 1 1 A 112 112 GLU H H 112 8.182 4.149 4.032 2
2 525 . 1 1 A 112 112 GLU C C 112 176.788 178.693 -1.905 2
2 526 . 1 1 A 112 112 GLU CA C 112 56.840 59.098 -2.258 2
2 527 . 1 1 A 112 112 GLU CB C 112 30.362 29.336 1.026 2
2 528 . 1 1 A 112 112 GLU N N 112 120.704 121.420 -0.716 2
2 529 . 1 1 A 113 113 LEU H H 113 8.145 3.978 4.168 2
2 530 . 1 1 A 113 113 LEU C C 113 177.222 178.375 -1.153 2
2 531 . 1 1 A 113 113 LEU CA C 113 55.908 57.581 -1.673 2
2 532 . 1 1 A 113 113 LEU CB C 113 42.483 41.519 0.964 2
2 533 . 1 1 A 113 113 LEU N N 113 122.124 120.848 1.276 2
2 534 . 1 1 A 114 114 TYR H H 114 8.054 4.162 3.892 2
2 535 . 1 1 A 114 114 TYR C C 114 176.056 177.196 -1.140 2
2 536 . 1 1 A 114 114 TYR CA C 114 58.359 62.157 -3.798 2
2 537 . 1 1 A 114 114 TYR CB C 114 38.966 38.705 0.261 2
2 538 . 1 1 A 114 114 TYR N N 114 119.841 120.184 -0.343 2
2 539 . 1 1 A 115 115 SER H H 115 8.051 4.072 3.979 2
2 540 . 1 1 A 115 115 SER C C 115 174.264 175.636 -1.372 2
2 541 . 1 1 A 115 115 SER CA C 115 58.636 63.067 -4.431 2
2 542 . 1 1 A 115 115 SER CB C 115 63.755 63.076 0.679 2
2 543 . 1 1 A 115 115 SER N N 115 116.470 115.978 0.492 2
2 544 . 1 1 A 116 116 PHE H H 116 8.043 4.110 3.933 2
2 545 . 1 1 A 116 116 PHE C C 116 175.674 176.932 -1.258 2
2 546 . 1 1 A 116 116 PHE CA C 116 58.475 61.488 -3.013 2
2 547 . 1 1 A 116 116 PHE CB C 116 39.710 38.777 0.933 2
2 548 . 1 1 A 116 116 PHE N N 116 122.138 121.934 0.204 2
2 549 . 1 1 A 117 117 PHE H H 117 8.059 4.009 4.050 2
2 550 . 1 1 A 117 117 PHE C C 117 175.796 178.014 -2.218 2
2 551 . 1 1 A 117 117 PHE CA C 117 58.174 61.463 -3.289 2
2 552 . 1 1 A 117 117 PHE CB C 117 39.710 38.477 1.233 2
2 553 . 1 1 A 117 117 PHE N N 117 120.225 116.510 3.715 2
2 554 . 1 1 A 118 118 LYS H H 118 8.102 4.191 3.912 2
2 555 . 1 1 A 118 118 LYS C C 118 176.104 179.321 -3.217 2
2 556 . 1 1 A 118 118 LYS CA C 118 56.810 59.936 -3.126 2
2 557 . 1 1 A 118 118 LYS CB C 118 33.146 32.247 0.899 2
2 558 . 1 1 A 118 118 LYS N N 118 122.261 121.694 0.567 2
2 559 . 1 1 A 119 119 ASP H H 119 8.219 4.162 4.057 2
2 560 . 1 1 A 119 119 ASP C C 119 176.252 177.758 -1.506 2
2 561 . 1 1 A 119 119 ASP CA C 119 54.429 56.690 -2.261 2
2 562 . 1 1 A 119 119 ASP CB C 119 41.469 40.253 1.216 2
2 563 . 1 1 A 119 119 ASP N N 119 121.153 119.777 1.376 2
2 564 . 1 1 A 120 120 ARG H H 120 8.221 3.822 4.399 2
2 565 . 1 1 A 120 120 ARG C C 120 176.793 176.563 0.230 2
2 566 . 1 1 A 120 120 ARG CA C 120 56.662 55.320 1.342 2
2 567 . 1 1 A 120 120 ARG CB C 120 30.777 29.925 0.852 2
2 568 . 1 1 A 120 120 ARG N N 120 121.394 117.069 4.325 2
2 569 . 1 1 A 121 121 GLY H H 121 8.408 4.072 4.337 2
2 570 . 1 1 A 121 121 GLY C C 121 173.772 174.413 -0.641 2
2 571 . 1 1 A 121 121 GLY CA C 121 45.496 45.642 -0.146 2
2 572 . 1 1 A 121 121 GLY N N 121 109.612 107.430 2.182 2
2 573 . 1 1 A 122 122 ALA H H 122 8.045 3.998 4.046 2
2 574 . 1 1 A 122 122 ALA C C 122 177.611 176.473 1.138 2
2 575 . 1 1 A 122 122 ALA CA C 122 52.560 52.515 0.045 2
2 576 . 1 1 A 122 122 ALA CB C 122 19.818 20.034 -0.216 2
2 577 . 1 1 A 122 122 ALA N N 122 123.772 123.658 0.114 2
2 578 . 1 1 A 123 123 LYS H H 123 8.258 4.245 4.013 2
2 579 . 1 1 A 123 123 LYS C C 123 176.404 175.343 1.061 2
2 580 . 1 1 A 123 123 LYS CA C 123 56.545 55.667 0.878 2
2 581 . 1 1 A 123 123 LYS CB C 123 33.151 33.441 -0.290 2
2 582 . 1 1 A 123 123 LYS N N 123 121.001 122.692 -1.691 2
2 583 . 1 1 A 124 124 ILE H H 124 8.142 4.543 3.599 2
2 584 . 1 1 A 124 124 ILE C C 124 176.171 175.626 0.545 2
2 585 . 1 1 A 124 124 ILE CA C 124 61.221 60.011 1.210 2
2 586 . 1 1 A 124 124 ILE CB C 124 38.877 39.494 -0.617 2
2 587 . 1 1 A 124 124 ILE N N 124 122.933 128.550 -5.617 2
2 588 . 1 1 A 125 125 VAL H H 125 8.143 4.274 3.869 2
2 589 . 1 1 A 125 125 VAL C C 125 176.355 175.598 0.757 2
2 590 . 1 1 A 125 125 VAL CA C 125 62.457 59.836 2.621 2
2 591 . 1 1 A 125 125 VAL CB C 125 32.995 35.250 -2.255 2
2 592 . 1 1 A 125 125 VAL N N 125 124.551 121.830 2.721 2
2 593 . 1 1 A 126 126 GLY H H 126 8.288 4.308 3.980 2
2 594 . 1 1 A 126 126 GLY C C 126 173.891 175.246 -1.355 2
2 595 . 1 1 A 126 126 GLY CA C 126 45.314 45.918 -0.604 2
2 596 . 1 1 A 126 126 GLY N N 126 112.715 113.972 -1.257 2
2 597 . 1 1 A 127 127 SER H H 127 8.101 4.082 4.019 2
2 598 . 1 1 A 127 127 SER C C 127 174.304 174.042 0.262 2
2 599 . 1 1 A 127 127 SER CA C 127 58.321 58.814 -0.493 2
2 600 . 1 1 A 127 127 SER CB C 127 63.969 64.917 -0.948 2
2 601 . 1 1 A 127 127 SER N N 127 115.781 115.637 0.144 2
2 602 . 1 1 A 128 128 TRP H H 128 8.142 4.306 3.836 2
2 603 . 1 1 A 128 128 TRP C C 128 176.171 174.309 1.862 2
2 604 . 1 1 A 128 128 TRP CA C 128 57.593 56.165 1.428 2
2 605 . 1 1 A 128 128 TRP CB C 128 29.930 33.299 -3.369 2
2 606 . 1 1 A 128 128 TRP N N 128 122.933 125.665 -2.732 2
2 607 . 1 1 A 129 129 SER H H 129 8.087 4.310 3.777 2
2 608 . 1 1 A 129 129 SER C C 129 174.776 176.974 -2.198 2
2 609 . 1 1 A 129 129 SER CA C 129 58.315 58.628 -0.313 2
2 610 . 1 1 A 129 129 SER CB C 129 64.084 63.311 0.773 2
2 611 . 1 1 A 129 129 SER N N 129 116.897 121.004 -4.107 2
2 612 . 1 1 A 130 130 THR H H 130 8.126 4.288 3.837 2
2 613 . 1 1 A 130 130 THR C C 130 174.465 175.113 -0.648 2
2 614 . 1 1 A 130 130 THR CA C 130 62.008 62.948 -0.940 2
2 615 . 1 1 A 130 130 THR CB C 130 69.788 69.277 0.511 2
2 616 . 1 1 A 130 130 THR N N 130 115.163 117.674 -2.511 2
2 617 . 1 1 A 131 131 ASP H H 131 8.284 3.766 4.518 2
2 618 . 1 1 A 131 131 ASP C C 131 176.472 177.490 -1.018 2
2 619 . 1 1 A 131 131 ASP CA C 131 54.665 56.207 -1.542 2
2 620 . 1 1 A 131 131 ASP CB C 131 41.598 40.203 1.395 2
2 621 . 1 1 A 131 131 ASP N N 131 122.054 124.710 -2.656 2
2 622 . 1 1 A 132 132 GLY H H 132 8.205 4.371 3.834 2
2 623 . 1 1 A 132 132 GLY C C 132 173.879 173.132 0.747 2
2 624 . 1 1 A 132 132 GLY CA C 132 45.519 45.254 0.265 2
2 625 . 1 1 A 132 132 GLY N N 132 108.935 110.990 -2.055 2
2 626 . 1 1 A 133 133 TYR H H 133 8.040 3.904 4.136 2
2 627 . 1 1 A 133 133 TYR C C 133 175.933 174.989 0.944 2
2 628 . 1 1 A 133 133 TYR CA C 133 58.242 57.248 0.994 2
2 629 . 1 1 A 133 133 TYR CB C 133 39.239 42.566 -3.327 2
2 630 . 1 1 A 133 133 TYR N N 133 120.381 118.735 1.646 2
2 631 . 1 1 A 134 134 GLU H H 134 8.391 4.333 4.058 2
2 632 . 1 1 A 134 134 GLU C C 134 175.942 175.520 0.422 2
2 633 . 1 1 A 134 134 GLU CA C 134 56.689 55.710 0.979 2
2 634 . 1 1 A 134 134 GLU CB C 134 30.345 30.685 -0.340 2
2 635 . 1 1 A 134 134 GLU N N 134 122.494 122.657 -0.163 2
2 636 . 1 1 A 135 135 PHE H H 135 8.018 4.236 3.783 2
2 637 . 1 1 A 135 135 PHE C C 135 175.766 174.056 1.710 2
2 638 . 1 1 A 135 135 PHE CA C 135 58.045 56.158 1.887 2
2 639 . 1 1 A 135 135 PHE CB C 135 39.706 40.418 -0.712 2
2 640 . 1 1 A 135 135 PHE N N 135 120.472 120.847 -0.375 2
2 641 . 1 1 A 136 136 GLU H H 136 8.326 4.543 3.783 2
2 642 . 1 1 A 136 136 GLU C C 136 176.253 176.715 -0.462 2
2 643 . 1 1 A 136 136 GLU CA C 136 56.639 57.863 -1.224 2
2 644 . 1 1 A 136 136 GLU CB C 136 30.574 31.597 -1.023 2
2 645 . 1 1 A 136 136 GLU N N 136 122.288 119.358 2.930 2
2 646 . 1 1 A 137 137 SER H H 137 8.286 4.027 4.260 2
2 647 . 1 1 A 137 137 SER C C 137 174.765 173.139 1.626 2
2 648 . 1 1 A 137 137 SER CA C 137 58.362 57.601 0.761 2
2 649 . 1 1 A 137 137 SER CB C 137 64.066 66.303 -2.237 2
2 650 . 1 1 A 137 137 SER N N 137 116.875 112.073 4.802 2
2 651 . 1 1 A 138 138 SER H H 138 8.392 4.327 4.066 2
2 652 . 1 1 A 138 138 SER C C 138 174.569 173.669 0.900 2
2 653 . 1 1 A 138 138 SER CA C 138 58.780 56.556 2.224 2
2 654 . 1 1 A 138 138 SER CB C 138 64.009 65.561 -1.552 2
2 655 . 1 1 A 138 138 SER N N 138 118.245 115.933 2.312 2
2 656 . 1 1 A 139 139 GLU H H 139 8.366 4.314 4.052 2
2 657 . 1 1 A 139 139 GLU C C 139 176.076 177.213 -1.137 2
2 658 . 1 1 A 139 139 GLU CA C 139 56.691 57.563 -0.872 2
2 659 . 1 1 A 139 139 GLU CB C 139 30.424 29.663 0.761 2
2 660 . 1 1 A 139 139 GLU N N 139 122.463 127.524 -5.061 2
2 661 . 1 1 A 140 140 ALA H H 140 8.174 3.886 4.288 2
2 662 . 1 1 A 140 140 ALA C C 140 177.454 176.613 0.841 2
2 663 . 1 1 A 140 140 ALA CA C 140 52.648 51.899 0.749 2
2 664 . 1 1 A 140 140 ALA CB C 140 19.570 19.623 -0.053 2
2 665 . 1 1 A 140 140 ALA N N 140 124.504 121.803 2.701 2
2 666 . 1 1 A 141 141 VAL H H 141 7.981 3.841 4.140 2
2 667 . 1 1 A 141 141 VAL C C 141 176.196 175.006 1.190 2
2 668 . 1 1 A 141 141 VAL CA C 141 62.388 61.713 0.675 2
2 669 . 1 1 A 141 141 VAL CB C 141 32.867 33.089 -0.222 2
2 670 . 1 1 A 141 141 VAL N N 141 119.670 119.484 0.186 2
2 671 . 1 1 A 142 142 VAL H H 142 8.148 4.417 3.732 2
2 672 . 1 1 A 142 142 VAL C C 142 175.717 175.744 -0.027 2
2 673 . 1 1 A 142 142 VAL CA C 142 62.304 61.135 1.169 2
2 674 . 1 1 A 142 142 VAL CB C 142 32.997 34.143 -1.146 2
2 675 . 1 1 A 142 142 VAL N N 142 123.550 127.075 -3.525 2
2 676 . 1 1 A 143 143 ASP H H 143 8.401 4.753 3.648 2
2 677 . 1 1 A 143 143 ASP C C 143 176.486 176.289 0.197 2
2 678 . 1 1 A 143 143 ASP CA C 143 54.455 55.476 -1.021 2
2 679 . 1 1 A 143 143 ASP CB C 143 41.545 39.689 1.856 2
2 680 . 1 1 A 143 143 ASP N N 143 124.381 129.588 -5.207 2
2 681 . 1 1 A 144 144 GLY H H 144 8.246 4.323 3.923 2
2 682 . 1 1 A 144 144 GLY C C 144 173.996 173.564 0.432 2
2 683 . 1 1 A 144 144 GLY CA C 144 45.719 46.209 -0.490 2
2 684 . 1 1 A 144 144 GLY N N 144 108.940 103.682 5.258 2
2 685 . 1 1 A 145 145 LYS H H 145 8.082 3.814 4.268 2
2 686 . 1 1 A 145 145 LYS C C 145 176.247 174.387 1.860 2
2 687 . 1 1 A 145 145 LYS CA C 145 56.689 55.071 1.618 2
2 688 . 1 1 A 145 145 LYS CB C 145 33.222 35.917 -2.695 2
2 689 . 1 1 A 145 145 LYS N N 145 120.956 118.437 2.519 2
2 690 . 1 1 A 146 146 PHE H H 146 8.297 4.306 3.990 2
2 691 . 1 1 A 146 146 PHE C C 146 175.766 177.272 -1.506 2
2 692 . 1 1 A 146 146 PHE CA C 146 57.761 58.671 -0.910 2
2 693 . 1 1 A 146 146 PHE CB C 146 39.722 39.441 0.281 2
2 694 . 1 1 A 146 146 PHE N N 146 121.177 124.954 -3.777 2
2 695 . 1 1 A 147 147 VAL H H 147 7.947 4.253 3.693 2
2 696 . 1 1 A 147 147 VAL C C 147 176.170 175.858 0.312 2
2 697 . 1 1 A 147 147 VAL CA C 147 62.478 64.056 -1.578 2
2 698 . 1 1 A 147 147 VAL CB C 147 33.080 31.670 1.410 2
2 699 . 1 1 A 147 147 VAL N N 147 121.808 119.918 1.890 2
2 700 . 1 1 A 148 148 GLY H H 148 8.000 3.860 4.140 2
2 701 . 1 1 A 148 148 GLY C C 148 173.767 172.557 1.210 2
2 702 . 1 1 A 148 148 GLY CA C 148 45.482 45.029 0.453 2
2 703 . 1 1 A 148 148 GLY N N 148 111.846 109.776 2.070 2
2 704 . 1 1 A 149 149 LEU H H 149 8.052 4.072 3.981 2
2 705 . 1 1 A 149 149 LEU C C 149 177.093 175.394 1.699 2
2 706 . 1 1 A 149 149 LEU CA C 149 55.480 55.381 0.099 2
2 707 . 1 1 A 149 149 LEU CB C 149 42.635 41.080 1.555 2
2 708 . 1 1 A 149 149 LEU N N 149 121.989 121.580 0.409 2
2 709 . 1 1 A 150 150 ALA H H 150 8.316 4.295 4.021 2
2 710 . 1 1 A 150 150 ALA C C 150 177.532 176.198 1.334 2
2 711 . 1 1 A 150 150 ALA CA C 150 52.631 49.850 2.781 2
2 712 . 1 1 A 150 150 ALA CB C 150 19.249 19.769 -0.520 2
2 713 . 1 1 A 150 150 ALA N N 150 124.935 128.407 -3.472 2
2 714 . 1 1 A 151 151 LEU H H 151 8.091 4.576 3.515 2
2 715 . 1 1 A 151 151 LEU C C 151 177.056 175.840 1.216 2
2 716 . 1 1 A 151 151 LEU CA C 151 55.471 53.633 1.838 2
2 717 . 1 1 A 151 151 LEU CB C 151 42.610 46.285 -3.675 2
2 718 . 1 1 A 151 151 LEU N N 151 121.237 123.632 -2.395 2
2 719 . 1 1 A 152 152 ASP H H 152 8.332 4.302 4.030 2
2 720 . 1 1 A 152 152 ASP C C 152 176.236 175.744 0.492 2
2 721 . 1 1 A 152 152 ASP CA C 152 54.237 54.059 0.178 2
2 722 . 1 1 A 152 152 ASP CB C 152 41.090 42.054 -0.964 2
2 723 . 1 1 A 152 152 ASP N N 152 120.798 120.824 -0.026 2
2 724 . 1 1 A 153 153 LEU H H 153 8.048 4.378 3.670 2
2 725 . 1 1 A 153 153 LEU C C 153 177.330 177.554 -0.224 2
2 726 . 1 1 A 153 153 LEU CA C 153 55.480 55.057 0.423 2
2 727 . 1 1 A 153 153 LEU CB C 153 42.635 41.710 0.925 2
2 728 . 1 1 A 153 153 LEU N N 153 122.053 126.037 -3.984 2
2 729 . 1 1 A 154 154 ASP H H 154 8.325 4.043 4.282 2
2 730 . 1 1 A 154 154 ASP C C 154 176.121 177.741 -1.620 2
2 731 . 1 1 A 154 154 ASP CA C 154 54.658 56.262 -1.604 2
2 732 . 1 1 A 154 154 ASP CB C 154 41.401 41.790 -0.389 2
2 733 . 1 1 A 154 154 ASP N N 154 120.292 119.472 0.820 2
2 734 . 1 1 A 155 155 ASN H H 155 8.251 4.077 4.175 2
2 735 . 1 1 A 155 155 ASN C C 155 175.481 175.494 -0.013 2
2 736 . 1 1 A 155 155 ASN CA C 155 53.483 53.447 0.036 2
2 737 . 1 1 A 155 155 ASN CB C 155 39.208 40.048 -0.840 2
2 738 . 1 1 A 155 155 ASN N N 155 118.991 113.131 5.860 2
2 739 . 1 1 A 156 156 GLN H H 156 8.384 3.868 4.516 2
2 740 . 1 1 A 156 156 GLN C C 156 176.202 175.512 0.690 2
2 741 . 1 1 A 156 156 GLN CA C 156 56.283 54.864 1.419 2
2 742 . 1 1 A 156 156 GLN CB C 156 29.531 29.547 -0.016 2
2 743 . 1 1 A 156 156 GLN N N 156 120.351 118.660 1.691 2
2 744 . 1 1 A 157 157 SER H H 157 8.322 4.112 4.210 2
2 745 . 1 1 A 157 157 SER C C 157 175.071 176.464 -1.393 2
2 746 . 1 1 A 157 157 SER CA C 157 58.738 61.074 -2.336 2
2 747 . 1 1 A 157 157 SER CB C 157 63.970 62.978 0.992 2
2 748 . 1 1 A 157 157 SER N N 157 116.551 115.209 1.342 2
2 749 . 1 1 A 158 158 GLY H H 158 8.428 4.225 4.203 2
2 750 . 1 1 A 158 158 GLY C C 158 174.118 174.854 -0.736 2
2 751 . 1 1 A 158 158 GLY CA C 158 45.519 46.608 -1.089 2
2 752 . 1 1 A 158 158 GLY N N 158 111.154 110.332 0.822 2
2 753 . 1 1 A 159 159 LYS H H 159 8.177 3.979 4.198 2
2 754 . 1 1 A 159 159 LYS C C 159 176.992 176.970 0.022 2
2 755 . 1 1 A 159 159 LYS CA C 159 56.590 56.021 0.569 2
2 756 . 1 1 A 159 159 LYS CB C 159 33.306 32.893 0.413 2
2 757 . 1 1 A 159 159 LYS N N 159 121.137 118.948 2.189 2
2 758 . 1 1 A 160 160 THR H H 160 8.180 3.841 4.339 2
2 759 . 1 1 A 160 160 THR C C 160 174.263 176.084 -1.821 2
2 760 . 1 1 A 160 160 THR CA C 160 61.972 67.387 -5.415 2
2 761 . 1 1 A 160 160 THR CB C 160 69.996 68.503 1.493 2
2 762 . 1 1 A 160 160 THR N N 160 115.144 115.519 -0.375 2
2 763 . 1 1 A 161 161 ASP H H 161 8.389 4.205 4.184 2
2 764 . 1 1 A 161 161 ASP C C 161 176.250 178.768 -2.518 2
2 765 . 1 1 A 161 161 ASP CA C 161 54.520 57.438 -2.918 2
2 766 . 1 1 A 161 161 ASP CB C 161 41.436 39.925 1.511 2
2 767 . 1 1 A 161 161 ASP N N 161 122.977 119.785 3.192 2
2 768 . 1 1 A 162 162 GLU H H 162 8.386 4.178 4.207 2
2 769 . 1 1 A 162 162 GLU C C 162 176.681 179.185 -2.504 2
2 770 . 1 1 A 162 162 GLU CA C 162 57.098 59.749 -2.651 2
2 771 . 1 1 A 162 162 GLU CB C 162 30.345 29.234 1.111 2
2 772 . 1 1 A 162 162 GLU N N 162 121.785 120.588 1.197 2
2 773 . 1 1 A 163 163 ARG H H 163 8.341 3.935 4.406 2
2 774 . 1 1 A 163 163 ARG C C 163 176.746 178.275 -1.529 2
2 775 . 1 1 A 163 163 ARG CA C 163 56.782 59.532 -2.750 2
2 776 . 1 1 A 163 163 ARG CB C 163 30.756 30.640 0.116 2
2 777 . 1 1 A 163 163 ARG N N 163 121.930 119.495 2.435 2
2 778 . 1 1 A 164 164 VAL H H 164 8.004 4.158 3.846 2
2 779 . 1 1 A 164 164 VAL C C 164 176.053 178.267 -2.214 2
2 780 . 1 1 A 164 164 VAL CA C 164 62.811 66.405 -3.594 2
2 781 . 1 1 A 164 164 VAL CB C 164 32.783 31.430 1.353 2
2 782 . 1 1 A 164 164 VAL N N 164 120.964 119.701 1.263 2
2 783 . 1 1 A 165 165 ALA H H 165 8.202 4.367 3.834 2
2 784 . 1 1 A 165 165 ALA C C 165 178.080 179.386 -1.306 2
2 785 . 1 1 A 165 165 ALA CA C 165 53.014 55.419 -2.405 2
2 786 . 1 1 A 165 165 ALA CB C 165 19.063 18.181 0.882 2
2 787 . 1 1 A 165 165 ALA N N 165 126.652 122.215 4.437 2
2 788 . 1 1 A 166 166 ALA H H 166 8.178 4.056 4.122 2
2 789 . 1 1 A 166 166 ALA C C 166 178.207 179.970 -1.763 2
2 790 . 1 1 A 166 166 ALA CA C 166 53.576 55.531 -1.955 2
2 791 . 1 1 A 166 166 ALA CB C 166 19.105 18.554 0.551 2
2 792 . 1 1 A 166 166 ALA N N 166 122.995 119.644 3.351 2
2 793 . 1 1 A 167 167 TRP H H 167 7.827 3.910 3.917 2
2 794 . 1 1 A 167 167 TRP C C 167 176.645 178.324 -1.679 2
2 795 . 1 1 A 167 167 TRP CA C 167 58.070 61.626 -3.556 2
2 796 . 1 1 A 167 167 TRP CB C 167 29.185 29.559 -0.374 2
2 797 . 1 1 A 167 167 TRP N N 167 118.667 120.765 -2.098 2
2 798 . 1 1 A 168 168 LEU H H 168 7.747 4.119 3.628 2
2 799 . 1 1 A 168 168 LEU C C 168 177.184 179.084 -1.900 2
2 800 . 1 1 A 168 168 LEU CA C 168 55.538 57.610 -2.072 2
2 801 . 1 1 A 168 168 LEU CB C 168 42.502 41.631 0.871 2
2 802 . 1 1 A 168 168 LEU N N 168 122.386 120.285 2.101 2
2 803 . 1 1 A 169 169 ALA H H 169 7.856 4.208 3.647 2
2 804 . 1 1 A 169 169 ALA C C 169 177.815 179.312 -1.497 2
2 805 . 1 1 A 169 169 ALA CA C 169 53.002 55.203 -2.201 2
2 806 . 1 1 A 169 169 ALA CB C 169 19.357 18.222 1.135 2
2 807 . 1 1 A 169 169 ALA N N 169 122.999 121.880 1.119 2
2 808 . 1 1 A 170 170 GLN H H 170 8.043 4.053 3.990 2
2 809 . 1 1 A 170 170 GLN C C 170 175.944 178.242 -2.298 2
2 810 . 1 1 A 170 170 GLN CA C 170 56.100 58.796 -2.696 2
2 811 . 1 1 A 170 170 GLN CB C 170 29.556 28.346 1.210 2
2 812 . 1 1 A 170 170 GLN N N 170 118.374 118.127 0.247 2
2 813 . 1 1 A 171 171 ILE H H 171 7.878 3.834 4.044 2
2 814 . 1 1 A 171 171 ILE C C 171 175.511 177.855 -2.344 2
2 815 . 1 1 A 171 171 ILE CA C 171 61.049 62.536 -1.487 2
2 816 . 1 1 A 171 171 ILE CB C 171 38.938 37.555 1.383 2
2 817 . 1 1 A 171 171 ILE N N 171 120.445 117.655 2.790 2
2 818 . 1 1 A 172 172 ALA H H 172 8.216 4.001 4.215 2
2 819 . 1 1 A 172 172 ALA C C 172 175.358 176.122 -0.764 2
2 820 . 1 1 A 172 172 ALA CA C 172 50.833 57.239 -6.406 2
2 821 . 1 1 A 172 172 ALA CB C 172 18.439 16.693 1.746 2
2 822 . 1 1 A 172 172 ALA N N 172 128.570 126.184 2.386 2
2 823 . 1 1 A 173 173 PRO C C 173 176.971 178.771 -1.800 2
2 824 . 1 1 A 173 173 PRO CA C 173 63.347 66.523 -3.176 2
2 825 . 1 1 A 173 173 PRO CB C 173 32.237 30.903 1.334 2
2 826 . 1 1 A 174 174 GLU H H 174 8.481 4.545 3.936 2
2 827 . 1 1 A 174 174 GLU C C 174 176.253 177.547 -1.294 2
2 828 . 1 1 A 174 174 GLU CA C 174 57.040 58.702 -1.662 2
2 829 . 1 1 A 174 174 GLU CB C 174 30.123 29.168 0.955 2
2 830 . 1 1 A 174 174 GLU N N 174 120.537 117.365 3.172 2
2 831 . 1 1 A 175 175 PHE H H 175 8.093 3.791 4.302 2
2 832 . 1 1 A 175 175 PHE C C 175 176.283 175.160 1.123 2
2 833 . 1 1 A 175 175 PHE CA C 175 57.920 57.597 0.323 2
2 834 . 1 1 A 175 175 PHE CB C 175 39.785 39.161 0.624 2
2 835 . 1 1 A 175 175 PHE N N 175 120.150 116.651 3.499 2
2 836 . 1 1 A 176 176 GLY H H 176 8.288 4.019 4.269 2
2 837 . 1 1 A 176 176 GLY C C 176 173.875 174.774 -0.899 2
2 838 . 1 1 A 176 176 GLY CA C 176 45.575 46.529 -0.954 2
2 839 . 1 1 A 176 176 GLY N N 176 110.265 109.457 0.808 2
2 840 . 1 1 A 177 177 LEU H H 177 8.021 4.002 4.019 2
2 841 . 1 1 A 177 177 LEU C C 177 177.298 177.807 -0.509 2
2 842 . 1 1 A 177 177 LEU CA C 177 55.269 54.292 0.977 2
2 843 . 1 1 A 177 177 LEU CB C 177 42.753 42.532 0.221 2
2 844 . 1 1 A 177 177 LEU N N 177 121.604 121.423 0.181 2
2 845 . 1 1 A 178 178 SER H H 178 8.304 4.390 3.914 2
2 846 . 1 1 A 178 178 SER C C 178 173.712 175.795 -2.083 2
2 847 . 1 1 A 178 178 SER CA C 178 58.193 59.411 -1.218 2
2 848 . 1 1 A 178 178 SER CB C 178 63.939 63.678 0.261 2
2 849 . 1 1 A 178 178 SER N N 178 117.351 115.815 1.536 2
stop_
save_