data_15420_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15420
_Entry.PDB_ID 1MTX
_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 23
_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 8 . 1 1 1 A 2 2 ILE H H 2 8.140 8.306 -0.166 1
1 9 . 1 1 1 A 2 2 ILE HA H 2 4.410 3.899 0.511 1
1 18 . 1 1 1 A 2 2 ILE N N 2 127.040 124.915 2.125 1
1 19 . 1 1 1 A 3 3 ILE H H 3 8.350 8.406 -0.056 1
1 20 . 1 1 1 A 3 3 ILE HA H 3 4.460 4.908 -0.448 1
1 29 . 1 1 1 A 3 3 ILE N N 3 124.180 123.733 0.447 1
1 30 . 1 1 1 A 4 4 ASN H H 4 8.760 8.766 -0.006 1
1 31 . 1 1 1 A 4 4 ASN HA H 4 4.770 4.849 -0.079 1
1 36 . 1 1 1 A 4 4 ASN N N 4 124.680 119.769 4.911 1
1 38 . 1 1 1 A 5 5 VAL H H 5 8.010 7.196 0.814 1
1 39 . 1 1 1 A 5 5 VAL HA H 5 4.140 4.080 0.060 1
1 44 . 1 1 1 A 5 5 VAL N N 5 122.870 120.710 2.160 1
1 45 . 1 1 1 A 6 6 LYS H H 6 8.420 8.344 0.076 1
1 46 . 1 1 1 A 6 6 LYS HA H 6 4.800 4.782 0.018 1
1 55 . 1 1 1 A 6 6 LYS N N 6 127.220 122.366 4.854 1
1 56 . 1 1 1 A 7 7 CYS H H 7 8.050 8.804 -0.754 1
1 57 . 1 1 1 A 7 7 CYS HA H 7 5.010 5.016 -0.006 1
1 60 . 1 1 1 A 7 7 CYS N N 7 116.620 117.077 -0.457 1
1 61 . 1 1 1 A 8 8 THR H H 8 9.320 8.544 0.776 1
1 62 . 1 1 1 A 8 8 THR HA H 8 4.420 4.592 -0.172 1
1 65 . 1 1 1 A 8 8 THR N N 8 109.290 113.087 -3.797 1
1 66 . 1 1 1 A 9 9 SER H H 9 8.150 7.572 0.578 1
1 67 . 1 1 1 A 9 9 SER HA H 9 5.170 4.867 0.303 1
1 70 . 1 1 1 A 9 9 SER N N 9 119.010 113.063 5.947 1
1 71 . 1 1 1 A 10 10 PRO HA H 10 3.970 4.516 -0.546 1
1 78 . 1 1 1 A 11 11 LYS H H 11 8.000 8.172 -0.172 1
1 79 . 1 1 1 A 11 11 LYS HA H 11 4.020 4.058 -0.038 1
1 88 . 1 1 1 A 11 11 LYS N N 11 117.940 118.711 -0.771 1
1 89 . 1 1 1 A 12 12 GLN H H 12 7.160 7.892 -0.732 1
1 90 . 1 1 1 A 12 12 GLN HA H 12 4.200 4.180 0.020 1
1 97 . 1 1 1 A 12 12 GLN N N 12 115.030 117.567 -2.537 1
1 99 . 1 1 1 A 13 13 CYS H H 13 7.460 7.683 -0.223 1
1 100 . 1 1 1 A 13 13 CYS HA H 13 4.650 4.572 0.078 1
1 103 . 1 1 1 A 13 13 CYS N N 13 113.890 116.915 -3.025 1
1 104 . 1 1 1 A 14 14 LEU H H 14 7.400 7.604 -0.204 1
1 105 . 1 1 1 A 14 14 LEU HA H 14 4.060 4.075 -0.015 1
1 115 . 1 1 1 A 14 14 LEU N N 14 121.670 122.490 -0.820 1
1 116 . 1 1 1 A 15 15 PRO HA H 15 4.500 4.262 0.238 1
1 123 . 1 1 1 A 16 16 PRO HA H 16 4.530 4.225 0.305 1
1 130 . 1 1 1 A 17 17 CYS H H 17 7.740 8.265 -0.525 1
1 131 . 1 1 1 A 17 17 CYS HA H 17 4.840 4.644 0.196 1
1 134 . 1 1 1 A 17 17 CYS N N 17 116.640 115.404 1.236 1
1 135 . 1 1 1 A 18 18 LYS H H 18 8.820 8.164 0.656 1
1 136 . 1 1 1 A 18 18 LYS HA H 18 4.620 4.799 -0.179 1
1 144 . 1 1 1 A 18 18 LYS N N 18 122.450 121.444 1.006 1
1 145 . 1 1 1 A 19 19 ALA H H 19 8.020 7.421 0.599 1
1 146 . 1 1 1 A 19 19 ALA HA H 19 4.030 4.280 -0.250 1
1 150 . 1 1 1 A 19 19 ALA N N 19 122.720 121.702 1.018 1
1 151 . 1 1 1 A 20 20 GLN H H 20 7.310 8.028 -0.718 1
1 152 . 1 1 1 A 20 20 GLN HA H 20 4.080 4.094 -0.014 1
1 159 . 1 1 1 A 20 20 GLN N N 20 114.530 118.089 -3.559 1
1 161 . 1 1 1 A 21 21 PHE H H 21 8.310 8.093 0.217 1
1 162 . 1 1 1 A 21 21 PHE HA H 21 4.880 4.399 0.481 1
1 167 . 1 1 1 A 21 21 PHE N N 21 113.930 117.371 -3.441 1
1 168 . 1 1 1 A 22 22 GLY H H 22 7.950 7.579 0.371 1
1 169 . 1 1 1 A 22 22 GLY HA2 H 22 4.740 4.160 0.580 1
1 170 . 1 1 1 A 22 22 GLY HA3 H 22 3.930 4.175 -0.245 1
1 171 . 1 1 1 A 22 22 GLY N N 22 111.620 103.833 7.787 1
1 172 . 1 1 1 A 23 23 GLN H H 23 8.520 8.684 -0.164 1
1 173 . 1 1 1 A 23 23 GLN HA H 23 3.910 4.426 -0.516 1
1 180 . 1 1 1 A 23 23 GLN N N 23 116.170 121.100 -4.930 1
1 182 . 1 1 1 A 24 24 SER H H 24 8.350 7.878 0.472 1
1 183 . 1 1 1 A 24 24 SER HA H 24 4.510 4.610 -0.100 1
1 186 . 1 1 1 A 24 24 SER N N 24 113.160 111.541 1.619 1
1 187 . 1 1 1 A 25 25 ALA H H 25 7.810 7.409 0.401 1
1 188 . 1 1 1 A 25 25 ALA HA H 25 4.230 4.034 0.196 1
1 192 . 1 1 1 A 25 25 ALA N N 25 124.730 125.900 -1.170 1
1 193 . 1 1 1 A 26 26 GLY H H 26 8.310 8.406 -0.096 1
1 194 . 1 1 1 A 26 26 GLY HA2 H 26 4.570 4.101 0.469 1
1 195 . 1 1 1 A 26 26 GLY HA3 H 26 3.760 4.105 -0.345 1
1 196 . 1 1 1 A 26 26 GLY N N 26 107.850 111.667 -3.817 1
1 197 . 1 1 1 A 27 27 ALA H H 27 8.310 8.820 -0.510 1
1 198 . 1 1 1 A 27 27 ALA HA H 27 5.590 5.741 -0.151 1
1 202 . 1 1 1 A 27 27 ALA N N 27 119.550 126.078 -6.528 1
1 203 . 1 1 1 A 28 28 LYS H H 28 9.100 8.315 0.785 1
1 204 . 1 1 1 A 28 28 LYS HA H 28 4.460 5.003 -0.543 1
1 211 . 1 1 1 A 28 28 LYS N N 28 118.020 116.920 1.100 1
1 212 . 1 1 1 A 29 29 CYS H H 29 8.810 8.588 0.222 1
1 213 . 1 1 1 A 29 29 CYS HA H 29 5.010 5.652 -0.642 1
1 216 . 1 1 1 A 29 29 CYS N N 29 122.020 117.750 4.270 1
1 217 . 1 1 1 A 30 30 MET H H 30 8.960 8.259 0.701 1
1 218 . 1 1 1 A 30 30 MET HA H 30 4.810 4.692 0.118 1
1 223 . 1 1 1 A 30 30 MET N N 30 128.630 125.908 2.722 1
1 224 . 1 1 1 A 31 31 ASN H H 31 9.470 8.940 0.530 1
1 225 . 1 1 1 A 31 31 ASN HA H 31 4.380 4.350 0.030 1
1 230 . 1 1 1 A 31 31 ASN N N 31 125.820 124.764 1.056 1
1 232 . 1 1 1 A 32 32 GLY H H 32 8.030 7.488 0.542 1
1 233 . 1 1 1 A 32 32 GLY HA2 H 32 4.150 4.009 0.141 1
1 234 . 1 1 1 A 32 32 GLY HA3 H 32 4.150 4.009 0.141 1
1 235 . 1 1 1 A 32 32 GLY N N 32 127.070 105.135 21.935 1
1 236 . 1 1 1 A 33 33 LYS H H 33 7.680 7.558 0.122 1
1 237 . 1 1 1 A 33 33 LYS HA H 33 5.220 5.342 -0.122 1
1 246 . 1 1 1 A 33 33 LYS N N 33 120.610 118.223 2.387 1
1 247 . 1 1 1 A 34 34 CYS H H 34 8.520 8.040 0.480 1
1 248 . 1 1 1 A 34 34 CYS HA H 34 5.080 5.410 -0.330 1
1 251 . 1 1 1 A 34 34 CYS N N 34 121.200 119.167 2.033 1
1 252 . 1 1 1 A 35 35 LYS H H 35 9.120 8.471 0.649 1
1 253 . 1 1 1 A 35 35 LYS HA H 35 4.710 4.592 0.118 1
1 261 . 1 1 1 A 35 35 LYS N N 35 124.350 121.771 2.579 1
1 262 . 1 1 1 A 36 36 CYS H H 36 8.650 8.620 0.030 1
1 263 . 1 1 1 A 36 36 CYS HA H 36 5.380 5.120 0.260 1
1 266 . 1 1 1 A 36 36 CYS N N 36 121.910 124.486 -2.576 1
1 267 . 1 1 1 A 37 37 TYR H H 37 8.290 8.431 -0.141 1
1 268 . 1 1 1 A 37 37 TYR HA H 37 4.590 4.970 -0.380 1
1 273 . 1 1 1 A 37 37 TYR N N 37 121.040 123.031 -1.991 1
1 274 . 1 1 1 A 38 38 PRO HA H 38 4.080 4.295 -0.215 1
1 8 . 2 1 1 A 2 2 ILE H H 2 8.140 8.513 -0.373 1
1 9 . 2 1 1 A 2 2 ILE HA H 2 4.410 4.134 0.276 1
1 18 . 2 1 1 A 2 2 ILE N N 2 127.040 122.148 4.892 1
1 19 . 2 1 1 A 3 3 ILE H H 3 8.350 7.571 0.779 1
1 20 . 2 1 1 A 3 3 ILE HA H 3 4.460 4.353 0.107 1
1 29 . 2 1 1 A 3 3 ILE N N 3 124.180 119.252 4.928 1
1 30 . 2 1 1 A 4 4 ASN H H 4 8.760 8.567 0.193 1
1 31 . 2 1 1 A 4 4 ASN HA H 4 4.770 5.012 -0.242 1
1 36 . 2 1 1 A 4 4 ASN N N 4 124.680 119.123 5.557 1
1 38 . 2 1 1 A 5 5 VAL H H 5 8.010 7.616 0.394 1
1 39 . 2 1 1 A 5 5 VAL HA H 5 4.140 4.666 -0.526 1
1 44 . 2 1 1 A 5 5 VAL N N 5 122.870 118.860 4.010 1
1 45 . 2 1 1 A 6 6 LYS H H 6 8.420 8.347 0.073 1
1 46 . 2 1 1 A 6 6 LYS HA H 6 4.800 5.200 -0.400 1
1 55 . 2 1 1 A 6 6 LYS N N 6 127.220 124.167 3.053 1
1 56 . 2 1 1 A 7 7 CYS H H 7 8.050 8.746 -0.696 1
1 57 . 2 1 1 A 7 7 CYS HA H 7 5.010 5.020 -0.010 1
1 60 . 2 1 1 A 7 7 CYS N N 7 116.620 118.376 -1.756 1
1 61 . 2 1 1 A 8 8 THR H H 8 9.320 8.534 0.786 1
1 62 . 2 1 1 A 8 8 THR HA H 8 4.420 4.576 -0.156 1
1 65 . 2 1 1 A 8 8 THR N N 8 109.290 113.222 -3.932 1
1 66 . 2 1 1 A 9 9 SER H H 9 8.150 7.559 0.591 1
1 67 . 2 1 1 A 9 9 SER HA H 9 5.170 4.874 0.296 1
1 70 . 2 1 1 A 9 9 SER N N 9 119.010 112.998 6.012 1
1 71 . 2 1 1 A 10 10 PRO HA H 10 3.970 4.398 -0.428 1
1 78 . 2 1 1 A 11 11 LYS H H 11 8.000 8.088 -0.088 1
1 79 . 2 1 1 A 11 11 LYS HA H 11 4.020 4.067 -0.047 1
1 88 . 2 1 1 A 11 11 LYS N N 11 117.940 118.815 -0.875 1
1 89 . 2 1 1 A 12 12 GLN H H 12 7.160 7.890 -0.730 1
1 90 . 2 1 1 A 12 12 GLN HA H 12 4.200 4.192 0.008 1
1 97 . 2 1 1 A 12 12 GLN N N 12 115.030 118.075 -3.045 1
1 99 . 2 1 1 A 13 13 CYS H H 13 7.460 7.663 -0.203 1
1 100 . 2 1 1 A 13 13 CYS HA H 13 4.650 4.570 0.080 1
1 103 . 2 1 1 A 13 13 CYS N N 13 113.890 117.007 -3.117 1
1 104 . 2 1 1 A 14 14 LEU H H 14 7.400 7.439 -0.039 1
1 105 . 2 1 1 A 14 14 LEU HA H 14 4.060 3.958 0.102 1
1 115 . 2 1 1 A 14 14 LEU N N 14 121.670 121.981 -0.311 1
1 116 . 2 1 1 A 15 15 PRO HA H 15 4.500 4.215 0.285 1
1 123 . 2 1 1 A 16 16 PRO HA H 16 4.530 4.113 0.417 1
1 130 . 2 1 1 A 17 17 CYS H H 17 7.740 7.820 -0.080 1
1 131 . 2 1 1 A 17 17 CYS HA H 17 4.840 4.348 0.492 1
1 134 . 2 1 1 A 17 17 CYS N N 17 116.640 114.467 2.173 1
1 135 . 2 1 1 A 18 18 LYS H H 18 8.820 7.884 0.936 1
1 136 . 2 1 1 A 18 18 LYS HA H 18 4.620 3.991 0.629 1
1 144 . 2 1 1 A 18 18 LYS N N 18 122.450 122.246 0.204 1
1 145 . 2 1 1 A 19 19 ALA H H 19 8.020 7.572 0.448 1
1 146 . 2 1 1 A 19 19 ALA HA H 19 4.030 4.287 -0.257 1
1 150 . 2 1 1 A 19 19 ALA N N 19 122.720 120.185 2.535 1
1 151 . 2 1 1 A 20 20 GLN H H 20 7.310 8.101 -0.791 1
1 152 . 2 1 1 A 20 20 GLN HA H 20 4.080 4.576 -0.496 1
1 159 . 2 1 1 A 20 20 GLN N N 20 114.530 117.515 -2.985 1
1 161 . 2 1 1 A 21 21 PHE H H 21 8.310 7.524 0.786 1
1 162 . 2 1 1 A 21 21 PHE HA H 21 4.880 4.362 0.518 1
1 167 . 2 1 1 A 21 21 PHE N N 21 113.930 117.620 -3.690 1
1 168 . 2 1 1 A 22 22 GLY H H 22 7.950 7.491 0.459 1
1 169 . 2 1 1 A 22 22 GLY HA2 H 22 4.740 4.107 0.633 1
1 170 . 2 1 1 A 22 22 GLY HA3 H 22 3.930 4.139 -0.209 1
1 171 . 2 1 1 A 22 22 GLY N N 22 111.620 103.668 7.952 1
1 172 . 2 1 1 A 23 23 GLN H H 23 8.520 8.688 -0.168 1
1 173 . 2 1 1 A 23 23 GLN HA H 23 3.910 4.047 -0.137 1
1 180 . 2 1 1 A 23 23 GLN N N 23 116.170 120.063 -3.893 1
1 182 . 2 1 1 A 24 24 SER H H 24 8.350 7.849 0.501 1
1 183 . 2 1 1 A 24 24 SER HA H 24 4.510 4.495 0.015 1
1 186 . 2 1 1 A 24 24 SER N N 24 113.160 111.494 1.666 1
1 187 . 2 1 1 A 25 25 ALA H H 25 7.810 7.433 0.377 1
1 188 . 2 1 1 A 25 25 ALA HA H 25 4.230 4.589 -0.359 1
1 192 . 2 1 1 A 25 25 ALA N N 25 124.730 125.899 -1.169 1
1 193 . 2 1 1 A 26 26 GLY H H 26 8.310 8.692 -0.382 1
1 194 . 2 1 1 A 26 26 GLY HA2 H 26 4.570 4.271 0.299 1
1 195 . 2 1 1 A 26 26 GLY HA3 H 26 3.760 4.336 -0.576 1
1 196 . 2 1 1 A 26 26 GLY N N 26 107.850 112.114 -4.264 1
1 197 . 2 1 1 A 27 27 ALA H H 27 8.310 9.104 -0.794 1
1 198 . 2 1 1 A 27 27 ALA HA H 27 5.590 5.978 -0.388 1
1 202 . 2 1 1 A 27 27 ALA N N 27 119.550 126.009 -6.459 1
1 203 . 2 1 1 A 28 28 LYS H H 28 9.100 8.448 0.652 1
1 204 . 2 1 1 A 28 28 LYS HA H 28 4.460 5.155 -0.695 1
1 211 . 2 1 1 A 28 28 LYS N N 28 118.020 117.042 0.978 1
1 212 . 2 1 1 A 29 29 CYS H H 29 8.810 8.617 0.193 1
1 213 . 2 1 1 A 29 29 CYS HA H 29 5.010 5.672 -0.662 1
1 216 . 2 1 1 A 29 29 CYS N N 29 122.020 117.795 4.225 1
1 217 . 2 1 1 A 30 30 MET H H 30 8.960 8.274 0.686 1
1 218 . 2 1 1 A 30 30 MET HA H 30 4.810 4.709 0.101 1
1 223 . 2 1 1 A 30 30 MET N N 30 128.630 126.051 2.579 1
1 224 . 2 1 1 A 31 31 ASN H H 31 9.470 8.152 1.318 1
1 225 . 2 1 1 A 31 31 ASN HA H 31 4.380 4.511 -0.131 1
1 230 . 2 1 1 A 31 31 ASN N N 31 125.820 124.437 1.383 1
1 232 . 2 1 1 A 32 32 GLY H H 32 8.030 7.490 0.540 1
1 233 . 2 1 1 A 32 32 GLY HA2 H 32 4.150 4.011 0.139 1
1 234 . 2 1 1 A 32 32 GLY HA3 H 32 4.150 4.013 0.137 1
1 235 . 2 1 1 A 32 32 GLY N N 32 127.070 107.678 19.392 1
1 236 . 2 1 1 A 33 33 LYS H H 33 7.680 7.547 0.133 1
1 237 . 2 1 1 A 33 33 LYS HA H 33 5.220 5.134 0.086 1
1 246 . 2 1 1 A 33 33 LYS N N 33 120.610 118.226 2.384 1
1 247 . 2 1 1 A 34 34 CYS H H 34 8.520 7.894 0.626 1
1 248 . 2 1 1 A 34 34 CYS HA H 34 5.080 5.460 -0.380 1
1 251 . 2 1 1 A 34 34 CYS N N 34 121.200 119.348 1.852 1
1 252 . 2 1 1 A 35 35 LYS H H 35 9.120 8.461 0.659 1
1 253 . 2 1 1 A 35 35 LYS HA H 35 4.710 4.640 0.070 1
1 261 . 2 1 1 A 35 35 LYS N N 35 124.350 119.723 4.627 1
1 262 . 2 1 1 A 36 36 CYS H H 36 8.650 8.443 0.207 1
1 263 . 2 1 1 A 36 36 CYS HA H 36 5.380 5.274 0.106 1
1 266 . 2 1 1 A 36 36 CYS N N 36 121.910 121.308 0.602 1
1 267 . 2 1 1 A 37 37 TYR H H 37 8.290 8.870 -0.580 1
1 268 . 2 1 1 A 37 37 TYR HA H 37 4.590 5.133 -0.543 1
1 273 . 2 1 1 A 37 37 TYR N N 37 121.040 124.369 -3.329 1
1 274 . 2 1 1 A 38 38 PRO HA H 38 4.080 4.100 -0.020 1
1 8 . 3 1 1 A 2 2 ILE H H 2 8.140 8.623 -0.483 1
1 9 . 3 1 1 A 2 2 ILE HA H 2 4.410 4.185 0.225 1
1 18 . 3 1 1 A 2 2 ILE N N 2 127.040 123.220 3.820 1
1 19 . 3 1 1 A 3 3 ILE H H 3 8.350 7.682 0.668 1
1 20 . 3 1 1 A 3 3 ILE HA H 3 4.460 4.791 -0.331 1
1 29 . 3 1 1 A 3 3 ILE N N 3 124.180 120.882 3.298 1
1 30 . 3 1 1 A 4 4 ASN H H 4 8.760 8.783 -0.023 1
1 31 . 3 1 1 A 4 4 ASN HA H 4 4.770 5.283 -0.513 1
1 36 . 3 1 1 A 4 4 ASN N N 4 124.680 125.413 -0.733 1
1 38 . 3 1 1 A 5 5 VAL H H 5 8.010 8.162 -0.152 1
1 39 . 3 1 1 A 5 5 VAL HA H 5 4.140 4.580 -0.440 1
1 44 . 3 1 1 A 5 5 VAL N N 5 122.870 123.408 -0.538 1
1 45 . 3 1 1 A 6 6 LYS H H 6 8.420 8.761 -0.341 1
1 46 . 3 1 1 A 6 6 LYS HA H 6 4.800 5.041 -0.241 1
1 55 . 3 1 1 A 6 6 LYS N N 6 127.220 125.024 2.196 1
1 56 . 3 1 1 A 7 7 CYS H H 7 8.050 8.815 -0.765 1
1 57 . 3 1 1 A 7 7 CYS HA H 7 5.010 5.017 -0.007 1
1 60 . 3 1 1 A 7 7 CYS N N 7 116.620 121.487 -4.867 1
1 61 . 3 1 1 A 8 8 THR H H 8 9.320 8.760 0.560 1
1 62 . 3 1 1 A 8 8 THR HA H 8 4.420 4.504 -0.084 1
1 65 . 3 1 1 A 8 8 THR N N 8 109.290 116.216 -6.926 1
1 66 . 3 1 1 A 9 9 SER H H 9 8.150 7.526 0.624 1
1 67 . 3 1 1 A 9 9 SER HA H 9 5.170 4.867 0.303 1
1 70 . 3 1 1 A 9 9 SER N N 9 119.010 111.924 7.086 1
1 71 . 3 1 1 A 10 10 PRO HA H 10 3.970 4.373 -0.403 1
1 78 . 3 1 1 A 11 11 LYS H H 11 8.000 8.072 -0.072 1
1 79 . 3 1 1 A 11 11 LYS HA H 11 4.020 4.045 -0.025 1
1 88 . 3 1 1 A 11 11 LYS N N 11 117.940 118.819 -0.879 1
1 89 . 3 1 1 A 12 12 GLN H H 12 7.160 7.818 -0.658 1
1 90 . 3 1 1 A 12 12 GLN HA H 12 4.200 4.172 0.028 1
1 97 . 3 1 1 A 12 12 GLN N N 12 115.030 118.150 -3.120 1
1 99 . 3 1 1 A 13 13 CYS H H 13 7.460 7.624 -0.164 1
1 100 . 3 1 1 A 13 13 CYS HA H 13 4.650 4.583 0.067 1
1 103 . 3 1 1 A 13 13 CYS N N 13 113.890 117.020 -3.130 1
1 104 . 3 1 1 A 14 14 LEU H H 14 7.400 7.571 -0.171 1
1 105 . 3 1 1 A 14 14 LEU HA H 14 4.060 4.054 0.006 1
1 115 . 3 1 1 A 14 14 LEU N N 14 121.670 122.179 -0.509 1
1 116 . 3 1 1 A 15 15 PRO HA H 15 4.500 4.252 0.248 1
1 123 . 3 1 1 A 16 16 PRO HA H 16 4.530 4.215 0.315 1
1 130 . 3 1 1 A 17 17 CYS H H 17 7.740 8.212 -0.472 1
1 131 . 3 1 1 A 17 17 CYS HA H 17 4.840 4.568 0.272 1
1 134 . 3 1 1 A 17 17 CYS N N 17 116.640 115.369 1.271 1
1 135 . 3 1 1 A 18 18 LYS H H 18 8.820 8.151 0.669 1
1 136 . 3 1 1 A 18 18 LYS HA H 18 4.620 4.548 0.072 1
1 144 . 3 1 1 A 18 18 LYS N N 18 122.450 121.801 0.649 1
1 145 . 3 1 1 A 19 19 ALA H H 19 8.020 7.399 0.621 1
1 146 . 3 1 1 A 19 19 ALA HA H 19 4.030 4.276 -0.246 1
1 150 . 3 1 1 A 19 19 ALA N N 19 122.720 121.451 1.269 1
1 151 . 3 1 1 A 20 20 GLN H H 20 7.310 7.954 -0.644 1
1 152 . 3 1 1 A 20 20 GLN HA H 20 4.080 4.063 0.017 1
1 159 . 3 1 1 A 20 20 GLN N N 20 114.530 117.447 -2.917 1
1 161 . 3 1 1 A 21 21 PHE H H 21 8.310 8.207 0.103 1
1 162 . 3 1 1 A 21 21 PHE HA H 21 4.880 4.366 0.514 1
1 167 . 3 1 1 A 21 21 PHE N N 21 113.930 116.954 -3.024 1
1 168 . 3 1 1 A 22 22 GLY H H 22 7.950 7.566 0.384 1
1 169 . 3 1 1 A 22 22 GLY HA2 H 22 4.740 4.148 0.592 1
1 170 . 3 1 1 A 22 22 GLY HA3 H 22 3.930 4.165 -0.235 1
1 171 . 3 1 1 A 22 22 GLY N N 22 111.620 103.830 7.790 1
1 172 . 3 1 1 A 23 23 GLN H H 23 8.520 8.659 -0.139 1
1 173 . 3 1 1 A 23 23 GLN HA H 23 3.910 4.430 -0.520 1
1 180 . 3 1 1 A 23 23 GLN N N 23 116.170 121.076 -4.906 1
1 182 . 3 1 1 A 24 24 SER H H 24 8.350 7.738 0.612 1
1 183 . 3 1 1 A 24 24 SER HA H 24 4.510 4.545 -0.035 1
1 186 . 3 1 1 A 24 24 SER N N 24 113.160 111.305 1.855 1
1 187 . 3 1 1 A 25 25 ALA H H 25 7.810 7.433 0.377 1
1 188 . 3 1 1 A 25 25 ALA HA H 25 4.230 4.029 0.201 1
1 192 . 3 1 1 A 25 25 ALA N N 25 124.730 125.750 -1.020 1
1 193 . 3 1 1 A 26 26 GLY H H 26 8.310 8.281 0.029 1
1 194 . 3 1 1 A 26 26 GLY HA2 H 26 4.570 4.010 0.560 1
1 195 . 3 1 1 A 26 26 GLY HA3 H 26 3.760 4.042 -0.282 1
1 196 . 3 1 1 A 26 26 GLY N N 26 107.850 111.668 -3.818 1
1 197 . 3 1 1 A 27 27 ALA H H 27 8.310 8.938 -0.628 1
1 198 . 3 1 1 A 27 27 ALA HA H 27 5.590 5.678 -0.088 1
1 202 . 3 1 1 A 27 27 ALA N N 27 119.550 125.791 -6.241 1
1 203 . 3 1 1 A 28 28 LYS H H 28 9.100 8.100 1.000 1
1 204 . 3 1 1 A 28 28 LYS HA H 28 4.460 4.882 -0.422 1
1 211 . 3 1 1 A 28 28 LYS N N 28 118.020 116.597 1.423 1
1 212 . 3 1 1 A 29 29 CYS H H 29 8.810 8.583 0.227 1
1 213 . 3 1 1 A 29 29 CYS HA H 29 5.010 5.594 -0.584 1
1 216 . 3 1 1 A 29 29 CYS N N 29 122.020 117.651 4.369 1
1 217 . 3 1 1 A 30 30 MET H H 30 8.960 8.272 0.688 1
1 218 . 3 1 1 A 30 30 MET HA H 30 4.810 4.729 0.081 1
1 223 . 3 1 1 A 30 30 MET N N 30 128.630 125.094 3.536 1
1 224 . 3 1 1 A 31 31 ASN H H 31 9.470 9.373 0.097 1
1 225 . 3 1 1 A 31 31 ASN HA H 31 4.380 4.349 0.031 1
1 230 . 3 1 1 A 31 31 ASN N N 31 125.820 124.762 1.058 1
1 232 . 3 1 1 A 32 32 GLY H H 32 8.030 7.404 0.626 1
1 233 . 3 1 1 A 32 32 GLY HA2 H 32 4.150 3.983 0.167 1
1 234 . 3 1 1 A 32 32 GLY HA3 H 32 4.150 3.984 0.166 1
1 235 . 3 1 1 A 32 32 GLY N N 32 127.070 105.484 21.586 1
1 236 . 3 1 1 A 33 33 LYS H H 33 7.680 7.626 0.054 1
1 237 . 3 1 1 A 33 33 LYS HA H 33 5.220 5.042 0.178 1
1 246 . 3 1 1 A 33 33 LYS N N 33 120.610 117.837 2.773 1
1 247 . 3 1 1 A 34 34 CYS H H 34 8.520 7.894 0.626 1
1 248 . 3 1 1 A 34 34 CYS HA H 34 5.080 5.457 -0.377 1
1 251 . 3 1 1 A 34 34 CYS N N 34 121.200 119.174 2.026 1
1 252 . 3 1 1 A 35 35 LYS H H 35 9.120 8.411 0.709 1
1 253 . 3 1 1 A 35 35 LYS HA H 35 4.710 4.620 0.090 1
1 261 . 3 1 1 A 35 35 LYS N N 35 124.350 119.536 4.814 1
1 262 . 3 1 1 A 36 36 CYS H H 36 8.650 8.642 0.008 1
1 263 . 3 1 1 A 36 36 CYS HA H 36 5.380 5.184 0.196 1
1 266 . 3 1 1 A 36 36 CYS N N 36 121.910 120.488 1.422 1
1 267 . 3 1 1 A 37 37 TYR H H 37 8.290 8.397 -0.107 1
1 268 . 3 1 1 A 37 37 TYR HA H 37 4.590 4.943 -0.353 1
1 273 . 3 1 1 A 37 37 TYR N N 37 121.040 123.843 -2.803 1
1 274 . 3 1 1 A 38 38 PRO HA H 38 4.080 4.121 -0.041 1
1 8 . 4 1 1 A 2 2 ILE H H 2 8.140 8.848 -0.708 1
1 9 . 4 1 1 A 2 2 ILE HA H 2 4.410 4.233 0.177 1
1 18 . 4 1 1 A 2 2 ILE N N 2 127.040 127.077 -0.037 1
1 19 . 4 1 1 A 3 3 ILE H H 3 8.350 7.507 0.843 1
1 20 . 4 1 1 A 3 3 ILE HA H 3 4.460 4.609 -0.149 1
1 29 . 4 1 1 A 3 3 ILE N N 3 124.180 121.417 2.763 1
1 30 . 4 1 1 A 4 4 ASN H H 4 8.760 8.830 -0.070 1
1 31 . 4 1 1 A 4 4 ASN HA H 4 4.770 5.051 -0.281 1
1 36 . 4 1 1 A 4 4 ASN N N 4 124.680 124.644 0.036 1
1 38 . 4 1 1 A 5 5 VAL H H 5 8.010 8.113 -0.103 1
1 39 . 4 1 1 A 5 5 VAL HA H 5 4.140 4.595 -0.455 1
1 44 . 4 1 1 A 5 5 VAL N N 5 122.870 124.572 -1.702 1
1 45 . 4 1 1 A 6 6 LYS H H 6 8.420 8.478 -0.058 1
1 46 . 4 1 1 A 6 6 LYS HA H 6 4.800 5.320 -0.520 1
1 55 . 4 1 1 A 6 6 LYS N N 6 127.220 121.416 5.804 1
1 56 . 4 1 1 A 7 7 CYS H H 7 8.050 8.763 -0.713 1
1 57 . 4 1 1 A 7 7 CYS HA H 7 5.010 4.973 0.037 1
1 60 . 4 1 1 A 7 7 CYS N N 7 116.620 116.661 -0.041 1
1 61 . 4 1 1 A 8 8 THR H H 8 9.320 8.458 0.862 1
1 62 . 4 1 1 A 8 8 THR HA H 8 4.420 4.590 -0.170 1
1 65 . 4 1 1 A 8 8 THR N N 8 109.290 112.827 -3.537 1
1 66 . 4 1 1 A 9 9 SER H H 9 8.150 7.530 0.620 1
1 67 . 4 1 1 A 9 9 SER HA H 9 5.170 4.911 0.259 1
1 70 . 4 1 1 A 9 9 SER N N 9 119.010 112.936 6.074 1
1 71 . 4 1 1 A 10 10 PRO HA H 10 3.970 4.428 -0.458 1
1 78 . 4 1 1 A 11 11 LYS H H 11 8.000 8.275 -0.275 1
1 79 . 4 1 1 A 11 11 LYS HA H 11 4.020 4.088 -0.068 1
1 88 . 4 1 1 A 11 11 LYS N N 11 117.940 118.110 -0.170 1
1 89 . 4 1 1 A 12 12 GLN H H 12 7.160 7.722 -0.562 1
1 90 . 4 1 1 A 12 12 GLN HA H 12 4.200 4.170 0.030 1
1 97 . 4 1 1 A 12 12 GLN N N 12 115.030 116.967 -1.937 1
1 99 . 4 1 1 A 13 13 CYS H H 13 7.460 7.809 -0.349 1
1 100 . 4 1 1 A 13 13 CYS HA H 13 4.650 4.559 0.091 1
1 103 . 4 1 1 A 13 13 CYS N N 13 113.890 116.991 -3.101 1
1 104 . 4 1 1 A 14 14 LEU H H 14 7.400 7.358 0.042 1
1 105 . 4 1 1 A 14 14 LEU HA H 14 4.060 3.950 0.110 1
1 115 . 4 1 1 A 14 14 LEU N N 14 121.670 121.907 -0.237 1
1 116 . 4 1 1 A 15 15 PRO HA H 15 4.500 4.215 0.285 1
1 123 . 4 1 1 A 16 16 PRO HA H 16 4.530 4.107 0.423 1
1 130 . 4 1 1 A 17 17 CYS H H 17 7.740 7.770 -0.030 1
1 131 . 4 1 1 A 17 17 CYS HA H 17 4.840 4.330 0.510 1
1 134 . 4 1 1 A 17 17 CYS N N 17 116.640 114.344 2.296 1
1 135 . 4 1 1 A 18 18 LYS H H 18 8.820 7.980 0.840 1
1 136 . 4 1 1 A 18 18 LYS HA H 18 4.620 4.079 0.541 1
1 144 . 4 1 1 A 18 18 LYS N N 18 122.450 122.096 0.354 1
1 145 . 4 1 1 A 19 19 ALA H H 19 8.020 7.472 0.548 1
1 146 . 4 1 1 A 19 19 ALA HA H 19 4.030 4.194 -0.164 1
1 150 . 4 1 1 A 19 19 ALA N N 19 122.720 121.160 1.560 1
1 151 . 4 1 1 A 20 20 GLN H H 20 7.310 7.965 -0.655 1
1 152 . 4 1 1 A 20 20 GLN HA H 20 4.080 4.346 -0.266 1
1 159 . 4 1 1 A 20 20 GLN N N 20 114.530 117.494 -2.964 1
1 161 . 4 1 1 A 21 21 PHE H H 21 8.310 7.630 0.680 1
1 162 . 4 1 1 A 21 21 PHE HA H 21 4.880 4.359 0.521 1
1 167 . 4 1 1 A 21 21 PHE N N 21 113.930 117.283 -3.353 1
1 168 . 4 1 1 A 22 22 GLY H H 22 7.950 7.466 0.484 1
1 169 . 4 1 1 A 22 22 GLY HA2 H 22 4.740 4.137 0.603 1
1 170 . 4 1 1 A 22 22 GLY HA3 H 22 3.930 4.165 -0.235 1
1 171 . 4 1 1 A 22 22 GLY N N 22 111.620 103.725 7.895 1
1 172 . 4 1 1 A 23 23 GLN H H 23 8.520 8.787 -0.267 1
1 173 . 4 1 1 A 23 23 GLN HA H 23 3.910 4.160 -0.250 1
1 180 . 4 1 1 A 23 23 GLN N N 23 116.170 121.410 -5.240 1
1 182 . 4 1 1 A 24 24 SER H H 24 8.350 7.818 0.532 1
1 183 . 4 1 1 A 24 24 SER HA H 24 4.510 4.482 0.028 1
1 186 . 4 1 1 A 24 24 SER N N 24 113.160 110.778 2.382 1
1 187 . 4 1 1 A 25 25 ALA H H 25 7.810 7.547 0.263 1
1 188 . 4 1 1 A 25 25 ALA HA H 25 4.230 4.514 -0.284 1
1 192 . 4 1 1 A 25 25 ALA N N 25 124.730 125.864 -1.134 1
1 193 . 4 1 1 A 26 26 GLY H H 26 8.310 8.584 -0.274 1
1 194 . 4 1 1 A 26 26 GLY HA2 H 26 4.570 4.123 0.447 1
1 195 . 4 1 1 A 26 26 GLY HA3 H 26 3.760 4.168 -0.408 1
1 196 . 4 1 1 A 26 26 GLY N N 26 107.850 111.849 -3.999 1
1 197 . 4 1 1 A 27 27 ALA H H 27 8.310 9.071 -0.761 1
1 198 . 4 1 1 A 27 27 ALA HA H 27 5.590 5.932 -0.342 1
1 202 . 4 1 1 A 27 27 ALA N N 27 119.550 126.369 -6.819 1
1 203 . 4 1 1 A 28 28 LYS H H 28 9.100 8.466 0.634 1
1 204 . 4 1 1 A 28 28 LYS HA H 28 4.460 4.895 -0.435 1
1 211 . 4 1 1 A 28 28 LYS N N 28 118.020 119.371 -1.351 1
1 212 . 4 1 1 A 29 29 CYS H H 29 8.810 8.638 0.172 1
1 213 . 4 1 1 A 29 29 CYS HA H 29 5.010 5.687 -0.677 1
1 216 . 4 1 1 A 29 29 CYS N N 29 122.020 117.711 4.309 1
1 217 . 4 1 1 A 30 30 MET H H 30 8.960 8.490 0.470 1
1 218 . 4 1 1 A 30 30 MET HA H 30 4.810 4.861 -0.051 1
1 223 . 4 1 1 A 30 30 MET N N 30 128.630 125.290 3.340 1
1 224 . 4 1 1 A 31 31 ASN H H 31 9.470 8.618 0.852 1
1 225 . 4 1 1 A 31 31 ASN HA H 31 4.380 4.497 -0.117 1
1 230 . 4 1 1 A 31 31 ASN N N 31 125.820 118.897 6.923 1
1 232 . 4 1 1 A 32 32 GLY H H 32 8.030 7.432 0.598 1
1 233 . 4 1 1 A 32 32 GLY HA2 H 32 4.150 4.123 0.027 1
1 234 . 4 1 1 A 32 32 GLY HA3 H 32 4.150 4.124 0.026 1
1 235 . 4 1 1 A 32 32 GLY N N 32 127.070 105.187 21.883 1
1 236 . 4 1 1 A 33 33 LYS H H 33 7.680 7.830 -0.150 1
1 237 . 4 1 1 A 33 33 LYS HA H 33 5.220 5.237 -0.017 1
1 246 . 4 1 1 A 33 33 LYS N N 33 120.610 118.845 1.765 1
1 247 . 4 1 1 A 34 34 CYS H H 34 8.520 8.419 0.101 1
1 248 . 4 1 1 A 34 34 CYS HA H 34 5.080 5.264 -0.184 1
1 251 . 4 1 1 A 34 34 CYS N N 34 121.200 120.622 0.578 1
1 252 . 4 1 1 A 35 35 LYS H H 35 9.120 8.231 0.889 1
1 253 . 4 1 1 A 35 35 LYS HA H 35 4.710 4.653 0.057 1
1 261 . 4 1 1 A 35 35 LYS N N 35 124.350 120.961 3.389 1
1 262 . 4 1 1 A 36 36 CYS H H 36 8.650 8.552 0.098 1
1 263 . 4 1 1 A 36 36 CYS HA H 36 5.380 5.219 0.161 1
1 266 . 4 1 1 A 36 36 CYS N N 36 121.910 121.768 0.142 1
1 267 . 4 1 1 A 37 37 TYR H H 37 8.290 8.839 -0.549 1
1 268 . 4 1 1 A 37 37 TYR HA H 37 4.590 5.221 -0.631 1
1 273 . 4 1 1 A 37 37 TYR N N 37 121.040 124.513 -3.473 1
1 274 . 4 1 1 A 38 38 PRO HA H 38 4.080 4.335 -0.255 1
1 8 . 5 1 1 A 2 2 ILE H H 2 8.140 8.526 -0.386 1
1 9 . 5 1 1 A 2 2 ILE HA H 2 4.410 3.998 0.412 1
1 18 . 5 1 1 A 2 2 ILE N N 2 127.040 125.907 1.133 1
1 19 . 5 1 1 A 3 3 ILE H H 3 8.350 7.523 0.827 1
1 20 . 5 1 1 A 3 3 ILE HA H 3 4.460 4.581 -0.121 1
1 29 . 5 1 1 A 3 3 ILE N N 3 124.180 122.153 2.027 1
1 30 . 5 1 1 A 4 4 ASN H H 4 8.760 8.697 0.063 1
1 31 . 5 1 1 A 4 4 ASN HA H 4 4.770 5.176 -0.406 1
1 36 . 5 1 1 A 4 4 ASN N N 4 124.680 125.449 -0.769 1
1 38 . 5 1 1 A 5 5 VAL H H 5 8.010 8.176 -0.166 1
1 39 . 5 1 1 A 5 5 VAL HA H 5 4.140 4.598 -0.458 1
1 44 . 5 1 1 A 5 5 VAL N N 5 122.870 124.292 -1.422 1
1 45 . 5 1 1 A 6 6 LYS H H 6 8.420 8.702 -0.282 1
1 46 . 5 1 1 A 6 6 LYS HA H 6 4.800 5.035 -0.235 1
1 55 . 5 1 1 A 6 6 LYS N N 6 127.220 125.423 1.797 1
1 56 . 5 1 1 A 7 7 CYS H H 7 8.050 8.796 -0.746 1
1 57 . 5 1 1 A 7 7 CYS HA H 7 5.010 4.979 0.031 1
1 60 . 5 1 1 A 7 7 CYS N N 7 116.620 121.704 -5.084 1
1 61 . 5 1 1 A 8 8 THR H H 8 9.320 8.540 0.780 1
1 62 . 5 1 1 A 8 8 THR HA H 8 4.420 4.614 -0.194 1
1 65 . 5 1 1 A 8 8 THR N N 8 109.290 113.081 -3.791 1
1 66 . 5 1 1 A 9 9 SER H H 9 8.150 7.536 0.614 1
1 67 . 5 1 1 A 9 9 SER HA H 9 5.170 4.872 0.298 1
1 70 . 5 1 1 A 9 9 SER N N 9 119.010 112.965 6.045 1
1 71 . 5 1 1 A 10 10 PRO HA H 10 3.970 4.503 -0.533 1
1 78 . 5 1 1 A 11 11 LYS H H 11 8.000 8.074 -0.074 1
1 79 . 5 1 1 A 11 11 LYS HA H 11 4.020 4.061 -0.041 1
1 88 . 5 1 1 A 11 11 LYS N N 11 117.940 118.820 -0.880 1
1 89 . 5 1 1 A 12 12 GLN H H 12 7.160 7.805 -0.645 1
1 90 . 5 1 1 A 12 12 GLN HA H 12 4.200 4.182 0.018 1
1 97 . 5 1 1 A 12 12 GLN N N 12 115.030 118.112 -3.082 1
1 99 . 5 1 1 A 13 13 CYS H H 13 7.460 7.660 -0.200 1
1 100 . 5 1 1 A 13 13 CYS HA H 13 4.650 4.548 0.102 1
1 103 . 5 1 1 A 13 13 CYS N N 13 113.890 117.013 -3.123 1
1 104 . 5 1 1 A 14 14 LEU H H 14 7.400 7.502 -0.102 1
1 105 . 5 1 1 A 14 14 LEU HA H 14 4.060 4.024 0.036 1
1 115 . 5 1 1 A 14 14 LEU N N 14 121.670 122.125 -0.455 1
1 116 . 5 1 1 A 15 15 PRO HA H 15 4.500 4.217 0.283 1
1 123 . 5 1 1 A 16 16 PRO HA H 16 4.530 4.108 0.422 1
1 130 . 5 1 1 A 17 17 CYS H H 17 7.740 8.050 -0.310 1
1 131 . 5 1 1 A 17 17 CYS HA H 17 4.840 4.085 0.755 1
1 134 . 5 1 1 A 17 17 CYS N N 17 116.640 114.877 1.763 1
1 135 . 5 1 1 A 18 18 LYS H H 18 8.820 8.015 0.805 1
1 136 . 5 1 1 A 18 18 LYS HA H 18 4.620 4.357 0.263 1
1 144 . 5 1 1 A 18 18 LYS N N 18 122.450 121.491 0.959 1
1 145 . 5 1 1 A 19 19 ALA H H 19 8.020 7.533 0.487 1
1 146 . 5 1 1 A 19 19 ALA HA H 19 4.030 4.390 -0.360 1
1 150 . 5 1 1 A 19 19 ALA N N 19 122.720 121.160 1.560 1
1 151 . 5 1 1 A 20 20 GLN H H 20 7.310 8.028 -0.718 1
1 152 . 5 1 1 A 20 20 GLN HA H 20 4.080 4.417 -0.337 1
1 159 . 5 1 1 A 20 20 GLN N N 20 114.530 117.545 -3.015 1
1 161 . 5 1 1 A 21 21 PHE H H 21 8.310 7.716 0.594 1
1 162 . 5 1 1 A 21 21 PHE HA H 21 4.880 4.396 0.484 1
1 167 . 5 1 1 A 21 21 PHE N N 21 113.930 117.084 -3.154 1
1 168 . 5 1 1 A 22 22 GLY H H 22 7.950 7.422 0.528 1
1 169 . 5 1 1 A 22 22 GLY HA2 H 22 4.740 4.143 0.597 1
1 170 . 5 1 1 A 22 22 GLY HA3 H 22 3.930 4.171 -0.241 1
1 171 . 5 1 1 A 22 22 GLY N N 22 111.620 103.774 7.846 1
1 172 . 5 1 1 A 23 23 GLN H H 23 8.520 8.650 -0.130 1
1 173 . 5 1 1 A 23 23 GLN HA H 23 3.910 4.415 -0.505 1
1 180 . 5 1 1 A 23 23 GLN N N 23 116.170 121.664 -5.494 1
1 182 . 5 1 1 A 24 24 SER H H 24 8.350 7.826 0.524 1
1 183 . 5 1 1 A 24 24 SER HA H 24 4.510 4.603 -0.093 1
1 186 . 5 1 1 A 24 24 SER N N 24 113.160 111.297 1.863 1
1 187 . 5 1 1 A 25 25 ALA H H 25 7.810 7.470 0.340 1
1 188 . 5 1 1 A 25 25 ALA HA H 25 4.230 4.495 -0.265 1
1 192 . 5 1 1 A 25 25 ALA N N 25 124.730 125.866 -1.136 1
1 193 . 5 1 1 A 26 26 GLY H H 26 8.310 8.738 -0.428 1
1 194 . 5 1 1 A 26 26 GLY HA2 H 26 4.570 4.195 0.375 1
1 195 . 5 1 1 A 26 26 GLY HA3 H 26 3.760 4.256 -0.496 1
1 196 . 5 1 1 A 26 26 GLY N N 26 107.850 111.998 -4.148 1
1 197 . 5 1 1 A 27 27 ALA H H 27 8.310 9.044 -0.734 1
1 198 . 5 1 1 A 27 27 ALA HA H 27 5.590 6.020 -0.430 1
1 202 . 5 1 1 A 27 27 ALA N N 27 119.550 126.518 -6.968 1
1 203 . 5 1 1 A 28 28 LYS H H 28 9.100 8.314 0.786 1
1 204 . 5 1 1 A 28 28 LYS HA H 28 4.460 5.033 -0.573 1
1 211 . 5 1 1 A 28 28 LYS N N 28 118.020 117.195 0.825 1
1 212 . 5 1 1 A 29 29 CYS H H 29 8.810 8.573 0.237 1
1 213 . 5 1 1 A 29 29 CYS HA H 29 5.010 5.633 -0.623 1
1 216 . 5 1 1 A 29 29 CYS N N 29 122.020 117.721 4.299 1
1 217 . 5 1 1 A 30 30 MET H H 30 8.960 8.283 0.677 1
1 218 . 5 1 1 A 30 30 MET HA H 30 4.810 4.739 0.071 1
1 223 . 5 1 1 A 30 30 MET N N 30 128.630 125.111 3.519 1
1 224 . 5 1 1 A 31 31 ASN H H 31 9.470 9.000 0.470 1
1 225 . 5 1 1 A 31 31 ASN HA H 31 4.380 4.353 0.027 1
1 230 . 5 1 1 A 31 31 ASN N N 31 125.820 124.193 1.627 1
1 232 . 5 1 1 A 32 32 GLY H H 32 8.030 7.404 0.626 1
1 233 . 5 1 1 A 32 32 GLY HA2 H 32 4.150 3.980 0.170 1
1 234 . 5 1 1 A 32 32 GLY HA3 H 32 4.150 3.982 0.168 1
1 235 . 5 1 1 A 32 32 GLY N N 32 127.070 105.775 21.295 1
1 236 . 5 1 1 A 33 33 LYS H H 33 7.680 7.632 0.048 1
1 237 . 5 1 1 A 33 33 LYS HA H 33 5.220 5.243 -0.023 1
1 246 . 5 1 1 A 33 33 LYS N N 33 120.610 118.121 2.489 1
1 247 . 5 1 1 A 34 34 CYS H H 34 8.520 7.962 0.558 1
1 248 . 5 1 1 A 34 34 CYS HA H 34 5.080 5.464 -0.384 1
1 251 . 5 1 1 A 34 34 CYS N N 34 121.200 119.305 1.895 1
1 252 . 5 1 1 A 35 35 LYS H H 35 9.120 8.463 0.657 1
1 253 . 5 1 1 A 35 35 LYS HA H 35 4.710 4.650 0.060 1
1 261 . 5 1 1 A 35 35 LYS N N 35 124.350 119.629 4.721 1
1 262 . 5 1 1 A 36 36 CYS H H 36 8.650 8.637 0.013 1
1 263 . 5 1 1 A 36 36 CYS HA H 36 5.380 5.430 -0.050 1
1 266 . 5 1 1 A 36 36 CYS N N 36 121.910 120.116 1.794 1
1 267 . 5 1 1 A 37 37 TYR H H 37 8.290 8.906 -0.616 1
1 268 . 5 1 1 A 37 37 TYR HA H 37 4.590 5.107 -0.517 1
1 273 . 5 1 1 A 37 37 TYR N N 37 121.040 123.126 -2.086 1
1 274 . 5 1 1 A 38 38 PRO HA H 38 4.080 4.464 -0.384 1
1 8 . 6 1 1 A 2 2 ILE H H 2 8.140 8.398 -0.258 1
1 9 . 6 1 1 A 2 2 ILE HA H 2 4.410 4.022 0.388 1
1 18 . 6 1 1 A 2 2 ILE N N 2 127.040 126.405 0.635 1
1 19 . 6 1 1 A 3 3 ILE H H 3 8.350 7.669 0.681 1
1 20 . 6 1 1 A 3 3 ILE HA H 3 4.460 4.779 -0.319 1
1 29 . 6 1 1 A 3 3 ILE N N 3 124.180 120.903 3.277 1
1 30 . 6 1 1 A 4 4 ASN H H 4 8.760 8.921 -0.161 1
1 31 . 6 1 1 A 4 4 ASN HA H 4 4.770 5.065 -0.295 1
1 36 . 6 1 1 A 4 4 ASN N N 4 124.680 126.339 -1.659 1
1 38 . 6 1 1 A 5 5 VAL H H 5 8.010 8.166 -0.156 1
1 39 . 6 1 1 A 5 5 VAL HA H 5 4.140 4.584 -0.444 1
1 44 . 6 1 1 A 5 5 VAL N N 5 122.870 124.560 -1.690 1
1 45 . 6 1 1 A 6 6 LYS H H 6 8.420 8.360 0.060 1
1 46 . 6 1 1 A 6 6 LYS HA H 6 4.800 4.856 -0.056 1
1 55 . 6 1 1 A 6 6 LYS N N 6 127.220 122.931 4.289 1
1 56 . 6 1 1 A 7 7 CYS H H 7 8.050 8.750 -0.700 1
1 57 . 6 1 1 A 7 7 CYS HA H 7 5.010 5.024 -0.014 1
1 60 . 6 1 1 A 7 7 CYS N N 7 116.620 116.902 -0.282 1
1 61 . 6 1 1 A 8 8 THR H H 8 9.320 8.751 0.569 1
1 62 . 6 1 1 A 8 8 THR HA H 8 4.420 4.459 -0.039 1
1 65 . 6 1 1 A 8 8 THR N N 8 109.290 116.244 -6.954 1
1 66 . 6 1 1 A 9 9 SER H H 9 8.150 7.539 0.611 1
1 67 . 6 1 1 A 9 9 SER HA H 9 5.170 4.871 0.299 1
1 70 . 6 1 1 A 9 9 SER N N 9 119.010 111.931 7.079 1
1 71 . 6 1 1 A 10 10 PRO HA H 10 3.970 4.384 -0.414 1
1 78 . 6 1 1 A 11 11 LYS H H 11 8.000 8.068 -0.068 1
1 79 . 6 1 1 A 11 11 LYS HA H 11 4.020 4.057 -0.037 1
1 88 . 6 1 1 A 11 11 LYS N N 11 117.940 118.677 -0.737 1
1 89 . 6 1 1 A 12 12 GLN H H 12 7.160 7.840 -0.680 1
1 90 . 6 1 1 A 12 12 GLN HA H 12 4.200 4.175 0.025 1
1 97 . 6 1 1 A 12 12 GLN N N 12 115.030 118.161 -3.131 1
1 99 . 6 1 1 A 13 13 CYS H H 13 7.460 7.824 -0.364 1
1 100 . 6 1 1 A 13 13 CYS HA H 13 4.650 4.586 0.064 1
1 103 . 6 1 1 A 13 13 CYS N N 13 113.890 116.914 -3.024 1
1 104 . 6 1 1 A 14 14 LEU H H 14 7.400 7.512 -0.112 1
1 105 . 6 1 1 A 14 14 LEU HA H 14 4.060 4.071 -0.011 1
1 115 . 6 1 1 A 14 14 LEU N N 14 121.670 122.110 -0.440 1
1 116 . 6 1 1 A 15 15 PRO HA H 15 4.500 4.260 0.240 1
1 123 . 6 1 1 A 16 16 PRO HA H 16 4.530 4.202 0.328 1
1 130 . 6 1 1 A 17 17 CYS H H 17 7.740 8.223 -0.483 1
1 131 . 6 1 1 A 17 17 CYS HA H 17 4.840 4.587 0.253 1
1 134 . 6 1 1 A 17 17 CYS N N 17 116.640 115.441 1.199 1
1 135 . 6 1 1 A 18 18 LYS H H 18 8.820 8.164 0.656 1
1 136 . 6 1 1 A 18 18 LYS HA H 18 4.620 4.599 0.021 1
1 144 . 6 1 1 A 18 18 LYS N N 18 122.450 121.330 1.120 1
1 145 . 6 1 1 A 19 19 ALA H H 19 8.020 7.533 0.487 1
1 146 . 6 1 1 A 19 19 ALA HA H 19 4.030 4.400 -0.370 1
1 150 . 6 1 1 A 19 19 ALA N N 19 122.720 121.409 1.311 1
1 151 . 6 1 1 A 20 20 GLN H H 20 7.310 8.249 -0.939 1
1 152 . 6 1 1 A 20 20 GLN HA H 20 4.080 4.463 -0.383 1
1 159 . 6 1 1 A 20 20 GLN N N 20 114.530 117.271 -2.741 1
1 161 . 6 1 1 A 21 21 PHE H H 21 8.310 8.134 0.176 1
1 162 . 6 1 1 A 21 21 PHE HA H 21 4.880 4.385 0.495 1
1 167 . 6 1 1 A 21 21 PHE N N 21 113.930 117.568 -3.638 1
1 168 . 6 1 1 A 22 22 GLY H H 22 7.950 7.576 0.374 1
1 169 . 6 1 1 A 22 22 GLY HA2 H 22 4.740 4.160 0.580 1
1 170 . 6 1 1 A 22 22 GLY HA3 H 22 3.930 4.178 -0.248 1
1 171 . 6 1 1 A 22 22 GLY N N 22 111.620 103.743 7.877 1
1 172 . 6 1 1 A 23 23 GLN H H 23 8.520 8.641 -0.121 1
1 173 . 6 1 1 A 23 23 GLN HA H 23 3.910 4.447 -0.537 1
1 180 . 6 1 1 A 23 23 GLN N N 23 116.170 121.256 -5.086 1
1 182 . 6 1 1 A 24 24 SER H H 24 8.350 7.823 0.527 1
1 183 . 6 1 1 A 24 24 SER HA H 24 4.510 4.578 -0.068 1
1 186 . 6 1 1 A 24 24 SER N N 24 113.160 111.338 1.822 1
1 187 . 6 1 1 A 25 25 ALA H H 25 7.810 7.477 0.333 1
1 188 . 6 1 1 A 25 25 ALA HA H 25 4.230 4.045 0.185 1
1 192 . 6 1 1 A 25 25 ALA N N 25 124.730 125.980 -1.250 1
1 193 . 6 1 1 A 26 26 GLY H H 26 8.310 8.268 0.042 1
1 194 . 6 1 1 A 26 26 GLY HA2 H 26 4.570 4.080 0.490 1
1 195 . 6 1 1 A 26 26 GLY HA3 H 26 3.760 4.107 -0.347 1
1 196 . 6 1 1 A 26 26 GLY N N 26 107.850 111.772 -3.922 1
1 197 . 6 1 1 A 27 27 ALA H H 27 8.310 8.965 -0.655 1
1 198 . 6 1 1 A 27 27 ALA HA H 27 5.590 5.772 -0.182 1
1 202 . 6 1 1 A 27 27 ALA N N 27 119.550 125.663 -6.113 1
1 203 . 6 1 1 A 28 28 LYS H H 28 9.100 8.258 0.842 1
1 204 . 6 1 1 A 28 28 LYS HA H 28 4.460 5.000 -0.540 1
1 211 . 6 1 1 A 28 28 LYS N N 28 118.020 116.173 1.847 1
1 212 . 6 1 1 A 29 29 CYS H H 29 8.810 8.602 0.208 1
1 213 . 6 1 1 A 29 29 CYS HA H 29 5.010 5.643 -0.633 1
1 216 . 6 1 1 A 29 29 CYS N N 29 122.020 117.646 4.374 1
1 217 . 6 1 1 A 30 30 MET H H 30 8.960 8.272 0.688 1
1 218 . 6 1 1 A 30 30 MET HA H 30 4.810 4.730 0.080 1
1 223 . 6 1 1 A 30 30 MET N N 30 128.630 125.098 3.532 1
1 224 . 6 1 1 A 31 31 ASN H H 31 9.470 9.242 0.228 1
1 225 . 6 1 1 A 31 31 ASN HA H 31 4.380 4.324 0.056 1
1 230 . 6 1 1 A 31 31 ASN N N 31 125.820 124.352 1.468 1
1 232 . 6 1 1 A 32 32 GLY H H 32 8.030 7.477 0.553 1
1 233 . 6 1 1 A 32 32 GLY HA2 H 32 4.150 4.008 0.142 1
1 234 . 6 1 1 A 32 32 GLY HA3 H 32 4.150 4.009 0.141 1
1 235 . 6 1 1 A 32 32 GLY N N 32 127.070 106.065 21.005 1
1 236 . 6 1 1 A 33 33 LYS H H 33 7.680 7.594 0.086 1
1 237 . 6 1 1 A 33 33 LYS HA H 33 5.220 5.065 0.155 1
1 246 . 6 1 1 A 33 33 LYS N N 33 120.610 118.224 2.386 1
1 247 . 6 1 1 A 34 34 CYS H H 34 8.520 7.879 0.641 1
1 248 . 6 1 1 A 34 34 CYS HA H 34 5.080 5.449 -0.369 1
1 251 . 6 1 1 A 34 34 CYS N N 34 121.200 119.426 1.774 1
1 252 . 6 1 1 A 35 35 LYS H H 35 9.120 8.438 0.682 1
1 253 . 6 1 1 A 35 35 LYS HA H 35 4.710 4.735 -0.025 1
1 261 . 6 1 1 A 35 35 LYS N N 35 124.350 119.082 5.268 1
1 262 . 6 1 1 A 36 36 CYS H H 36 8.650 8.600 0.050 1
1 263 . 6 1 1 A 36 36 CYS HA H 36 5.380 5.163 0.217 1
1 266 . 6 1 1 A 36 36 CYS N N 36 121.910 121.952 -0.042 1
1 267 . 6 1 1 A 37 37 TYR H H 37 8.290 8.396 -0.106 1
1 268 . 6 1 1 A 37 37 TYR HA H 37 4.590 4.930 -0.340 1
1 273 . 6 1 1 A 37 37 TYR N N 37 121.040 124.016 -2.976 1
1 274 . 6 1 1 A 38 38 PRO HA H 38 4.080 4.388 -0.308 1
1 8 . 7 1 1 A 2 2 ILE H H 2 8.140 8.874 -0.734 1
1 9 . 7 1 1 A 2 2 ILE HA H 2 4.410 4.168 0.242 1
1 18 . 7 1 1 A 2 2 ILE N N 2 127.040 127.522 -0.482 1
1 19 . 7 1 1 A 3 3 ILE H H 3 8.350 7.592 0.758 1
1 20 . 7 1 1 A 3 3 ILE HA H 3 4.460 4.622 -0.162 1
1 29 . 7 1 1 A 3 3 ILE N N 3 124.180 121.751 2.429 1
1 30 . 7 1 1 A 4 4 ASN H H 4 8.760 8.878 -0.118 1
1 31 . 7 1 1 A 4 4 ASN HA H 4 4.770 5.032 -0.262 1
1 36 . 7 1 1 A 4 4 ASN N N 4 124.680 125.976 -1.296 1
1 38 . 7 1 1 A 5 5 VAL H H 5 8.010 7.960 0.050 1
1 39 . 7 1 1 A 5 5 VAL HA H 5 4.140 4.639 -0.499 1
1 44 . 7 1 1 A 5 5 VAL N N 5 122.870 122.741 0.129 1
1 45 . 7 1 1 A 6 6 LYS H H 6 8.420 8.348 0.072 1
1 46 . 7 1 1 A 6 6 LYS HA H 6 4.800 5.125 -0.325 1
1 55 . 7 1 1 A 6 6 LYS N N 6 127.220 122.530 4.690 1
1 56 . 7 1 1 A 7 7 CYS H H 7 8.050 8.657 -0.607 1
1 57 . 7 1 1 A 7 7 CYS HA H 7 5.010 5.028 -0.018 1
1 60 . 7 1 1 A 7 7 CYS N N 7 116.620 116.894 -0.274 1
1 61 . 7 1 1 A 8 8 THR H H 8 9.320 8.542 0.778 1
1 62 . 7 1 1 A 8 8 THR HA H 8 4.420 4.538 -0.118 1
1 65 . 7 1 1 A 8 8 THR N N 8 109.290 114.155 -4.865 1
1 66 . 7 1 1 A 9 9 SER H H 9 8.150 7.611 0.539 1
1 67 . 7 1 1 A 9 9 SER HA H 9 5.170 4.876 0.294 1
1 70 . 7 1 1 A 9 9 SER N N 9 119.010 113.227 5.783 1
1 71 . 7 1 1 A 10 10 PRO HA H 10 3.970 4.400 -0.430 1
1 78 . 7 1 1 A 11 11 LYS H H 11 8.000 8.159 -0.159 1
1 79 . 7 1 1 A 11 11 LYS HA H 11 4.020 4.069 -0.049 1
1 88 . 7 1 1 A 11 11 LYS N N 11 117.940 118.681 -0.741 1
1 89 . 7 1 1 A 12 12 GLN H H 12 7.160 7.911 -0.751 1
1 90 . 7 1 1 A 12 12 GLN HA H 12 4.200 4.188 0.012 1
1 97 . 7 1 1 A 12 12 GLN N N 12 115.030 117.740 -2.710 1
1 99 . 7 1 1 A 13 13 CYS H H 13 7.460 7.756 -0.296 1
1 100 . 7 1 1 A 13 13 CYS HA H 13 4.650 4.607 0.043 1
1 103 . 7 1 1 A 13 13 CYS N N 13 113.890 117.050 -3.160 1
1 104 . 7 1 1 A 14 14 LEU H H 14 7.400 7.456 -0.056 1
1 105 . 7 1 1 A 14 14 LEU HA H 14 4.060 3.994 0.066 1
1 115 . 7 1 1 A 14 14 LEU N N 14 121.670 121.092 0.578 1
1 116 . 7 1 1 A 15 15 PRO HA H 15 4.500 4.264 0.236 1
1 123 . 7 1 1 A 16 16 PRO HA H 16 4.530 4.171 0.359 1
1 130 . 7 1 1 A 17 17 CYS H H 17 7.740 7.969 -0.229 1
1 131 . 7 1 1 A 17 17 CYS HA H 17 4.840 4.612 0.228 1
1 134 . 7 1 1 A 17 17 CYS N N 17 116.640 114.585 2.055 1
1 135 . 7 1 1 A 18 18 LYS H H 18 8.820 8.019 0.801 1
1 136 . 7 1 1 A 18 18 LYS HA H 18 4.620 4.316 0.304 1
1 144 . 7 1 1 A 18 18 LYS N N 18 122.450 122.453 -0.003 1
1 145 . 7 1 1 A 19 19 ALA H H 19 8.020 7.923 0.097 1
1 146 . 7 1 1 A 19 19 ALA HA H 19 4.030 4.247 -0.217 1
1 150 . 7 1 1 A 19 19 ALA N N 19 122.720 122.099 0.621 1
1 151 . 7 1 1 A 20 20 GLN H H 20 7.310 7.966 -0.656 1
1 152 . 7 1 1 A 20 20 GLN HA H 20 4.080 4.064 0.016 1
1 159 . 7 1 1 A 20 20 GLN N N 20 114.530 117.604 -3.074 1
1 161 . 7 1 1 A 21 21 PHE H H 21 8.310 7.931 0.379 1
1 162 . 7 1 1 A 21 21 PHE HA H 21 4.880 4.477 0.403 1
1 167 . 7 1 1 A 21 21 PHE N N 21 113.930 116.670 -2.740 1
1 168 . 7 1 1 A 22 22 GLY H H 22 7.950 7.587 0.363 1
1 169 . 7 1 1 A 22 22 GLY HA2 H 22 4.740 4.151 0.589 1
1 170 . 7 1 1 A 22 22 GLY HA3 H 22 3.930 4.164 -0.234 1
1 171 . 7 1 1 A 22 22 GLY N N 22 111.620 103.793 7.827 1
1 172 . 7 1 1 A 23 23 GLN H H 23 8.520 8.626 -0.106 1
1 173 . 7 1 1 A 23 23 GLN HA H 23 3.910 4.105 -0.195 1
1 180 . 7 1 1 A 23 23 GLN N N 23 116.170 120.066 -3.896 1
1 182 . 7 1 1 A 24 24 SER H H 24 8.350 7.791 0.559 1
1 183 . 7 1 1 A 24 24 SER HA H 24 4.510 4.468 0.042 1
1 186 . 7 1 1 A 24 24 SER N N 24 113.160 111.072 2.088 1
1 187 . 7 1 1 A 25 25 ALA H H 25 7.810 7.482 0.328 1
1 188 . 7 1 1 A 25 25 ALA HA H 25 4.230 4.131 0.099 1
1 192 . 7 1 1 A 25 25 ALA N N 25 124.730 125.139 -0.409 1
1 193 . 7 1 1 A 26 26 GLY H H 26 8.310 8.383 -0.073 1
1 194 . 7 1 1 A 26 26 GLY HA2 H 26 4.570 4.270 0.300 1
1 195 . 7 1 1 A 26 26 GLY HA3 H 26 3.760 4.279 -0.519 1
1 196 . 7 1 1 A 26 26 GLY N N 26 107.850 111.512 -3.662 1
1 197 . 7 1 1 A 27 27 ALA H H 27 8.310 8.901 -0.591 1
1 198 . 7 1 1 A 27 27 ALA HA H 27 5.590 5.980 -0.390 1
1 202 . 7 1 1 A 27 27 ALA N N 27 119.550 124.925 -5.375 1
1 203 . 7 1 1 A 28 28 LYS H H 28 9.100 8.489 0.611 1
1 204 . 7 1 1 A 28 28 LYS HA H 28 4.460 5.043 -0.583 1
1 211 . 7 1 1 A 28 28 LYS N N 28 118.020 117.293 0.727 1
1 212 . 7 1 1 A 29 29 CYS H H 29 8.810 8.567 0.243 1
1 213 . 7 1 1 A 29 29 CYS HA H 29 5.010 5.624 -0.614 1
1 216 . 7 1 1 A 29 29 CYS N N 29 122.020 117.443 4.577 1
1 217 . 7 1 1 A 30 30 MET H H 30 8.960 8.350 0.610 1
1 218 . 7 1 1 A 30 30 MET HA H 30 4.810 4.784 0.026 1
1 223 . 7 1 1 A 30 30 MET N N 30 128.630 125.991 2.639 1
1 224 . 7 1 1 A 31 31 ASN H H 31 9.470 8.091 1.379 1
1 225 . 7 1 1 A 31 31 ASN HA H 31 4.380 4.939 -0.559 1
1 230 . 7 1 1 A 31 31 ASN N N 31 125.820 118.400 7.420 1
1 232 . 7 1 1 A 32 32 GLY H H 32 8.030 8.204 -0.174 1
1 233 . 7 1 1 A 32 32 GLY HA2 H 32 4.150 3.921 0.229 1
1 234 . 7 1 1 A 32 32 GLY HA3 H 32 4.150 3.923 0.227 1
1 235 . 7 1 1 A 32 32 GLY N N 32 127.070 106.507 20.563 1
1 236 . 7 1 1 A 33 33 LYS H H 33 7.680 7.763 -0.083 1
1 237 . 7 1 1 A 33 33 LYS HA H 33 5.220 5.099 0.121 1
1 246 . 7 1 1 A 33 33 LYS N N 33 120.610 119.096 1.514 1
1 247 . 7 1 1 A 34 34 CYS H H 34 8.520 8.016 0.504 1
1 248 . 7 1 1 A 34 34 CYS HA H 34 5.080 5.545 -0.465 1
1 251 . 7 1 1 A 34 34 CYS N N 34 121.200 119.864 1.336 1
1 252 . 7 1 1 A 35 35 LYS H H 35 9.120 8.479 0.641 1
1 253 . 7 1 1 A 35 35 LYS HA H 35 4.710 4.659 0.051 1
1 261 . 7 1 1 A 35 35 LYS N N 35 124.350 121.817 2.533 1
1 262 . 7 1 1 A 36 36 CYS H H 36 8.650 8.608 0.042 1
1 263 . 7 1 1 A 36 36 CYS HA H 36 5.380 5.342 0.038 1
1 266 . 7 1 1 A 36 36 CYS N N 36 121.910 125.036 -3.126 1
1 267 . 7 1 1 A 37 37 TYR H H 37 8.290 8.516 -0.226 1
1 268 . 7 1 1 A 37 37 TYR HA H 37 4.590 4.891 -0.301 1
1 273 . 7 1 1 A 37 37 TYR N N 37 121.040 123.899 -2.859 1
1 274 . 7 1 1 A 38 38 PRO HA H 38 4.080 3.624 0.456 1
1 8 . 8 1 1 A 2 2 ILE H H 2 8.140 8.380 -0.240 1
1 9 . 8 1 1 A 2 2 ILE HA H 2 4.410 3.855 0.555 1
1 18 . 8 1 1 A 2 2 ILE N N 2 127.040 126.437 0.603 1
1 19 . 8 1 1 A 3 3 ILE H H 3 8.350 7.607 0.743 1
1 20 . 8 1 1 A 3 3 ILE HA H 3 4.460 4.605 -0.145 1
1 29 . 8 1 1 A 3 3 ILE N N 3 124.180 120.383 3.797 1
1 30 . 8 1 1 A 4 4 ASN H H 4 8.760 8.455 0.305 1
1 31 . 8 1 1 A 4 4 ASN HA H 4 4.770 5.194 -0.424 1
1 36 . 8 1 1 A 4 4 ASN N N 4 124.680 124.245 0.435 1
1 38 . 8 1 1 A 5 5 VAL H H 5 8.010 8.074 -0.064 1
1 39 . 8 1 1 A 5 5 VAL HA H 5 4.140 4.579 -0.439 1
1 44 . 8 1 1 A 5 5 VAL N N 5 122.870 122.616 0.254 1
1 45 . 8 1 1 A 6 6 LYS H H 6 8.420 8.367 0.053 1
1 46 . 8 1 1 A 6 6 LYS HA H 6 4.800 4.736 0.064 1
1 55 . 8 1 1 A 6 6 LYS N N 6 127.220 123.375 3.845 1
1 56 . 8 1 1 A 7 7 CYS H H 7 8.050 8.783 -0.733 1
1 57 . 8 1 1 A 7 7 CYS HA H 7 5.010 5.020 -0.010 1
1 60 . 8 1 1 A 7 7 CYS N N 7 116.620 117.236 -0.616 1
1 61 . 8 1 1 A 8 8 THR H H 8 9.320 8.748 0.572 1
1 62 . 8 1 1 A 8 8 THR HA H 8 4.420 4.501 -0.081 1
1 65 . 8 1 1 A 8 8 THR N N 8 109.290 116.308 -7.018 1
1 66 . 8 1 1 A 9 9 SER H H 9 8.150 7.529 0.621 1
1 67 . 8 1 1 A 9 9 SER HA H 9 5.170 4.866 0.304 1
1 70 . 8 1 1 A 9 9 SER N N 9 119.010 112.561 6.449 1
1 71 . 8 1 1 A 10 10 PRO HA H 10 3.970 4.486 -0.516 1
1 78 . 8 1 1 A 11 11 LYS H H 11 8.000 8.082 -0.082 1
1 79 . 8 1 1 A 11 11 LYS HA H 11 4.020 4.069 -0.049 1
1 88 . 8 1 1 A 11 11 LYS N N 11 117.940 118.681 -0.741 1
1 89 . 8 1 1 A 12 12 GLN H H 12 7.160 7.972 -0.812 1
1 90 . 8 1 1 A 12 12 GLN HA H 12 4.200 4.128 0.072 1
1 97 . 8 1 1 A 12 12 GLN N N 12 115.030 117.171 -2.141 1
1 99 . 8 1 1 A 13 13 CYS H H 13 7.460 7.688 -0.228 1
1 100 . 8 1 1 A 13 13 CYS HA H 13 4.650 4.534 0.116 1
1 103 . 8 1 1 A 13 13 CYS N N 13 113.890 117.065 -3.175 1
1 104 . 8 1 1 A 14 14 LEU H H 14 7.400 7.586 -0.186 1
1 105 . 8 1 1 A 14 14 LEU HA H 14 4.060 4.025 0.035 1
1 115 . 8 1 1 A 14 14 LEU N N 14 121.670 122.223 -0.553 1
1 116 . 8 1 1 A 15 15 PRO HA H 15 4.500 4.213 0.287 1
1 123 . 8 1 1 A 16 16 PRO HA H 16 4.530 4.104 0.426 1
1 130 . 8 1 1 A 17 17 CYS H H 17 7.740 8.038 -0.298 1
1 131 . 8 1 1 A 17 17 CYS HA H 17 4.840 4.091 0.749 1
1 134 . 8 1 1 A 17 17 CYS N N 17 116.640 114.943 1.697 1
1 135 . 8 1 1 A 18 18 LYS H H 18 8.820 8.005 0.815 1
1 136 . 8 1 1 A 18 18 LYS HA H 18 4.620 4.323 0.297 1
1 144 . 8 1 1 A 18 18 LYS N N 18 122.450 121.393 1.057 1
1 145 . 8 1 1 A 19 19 ALA H H 19 8.020 7.476 0.544 1
1 146 . 8 1 1 A 19 19 ALA HA H 19 4.030 4.337 -0.307 1
1 150 . 8 1 1 A 19 19 ALA N N 19 122.720 121.013 1.707 1
1 151 . 8 1 1 A 20 20 GLN H H 20 7.310 8.094 -0.784 1
1 152 . 8 1 1 A 20 20 GLN HA H 20 4.080 4.434 -0.354 1
1 159 . 8 1 1 A 20 20 GLN N N 20 114.530 117.374 -2.844 1
1 161 . 8 1 1 A 21 21 PHE H H 21 8.310 7.744 0.566 1
1 162 . 8 1 1 A 21 21 PHE HA H 21 4.880 4.362 0.518 1
1 167 . 8 1 1 A 21 21 PHE N N 21 113.930 117.735 -3.805 1
1 168 . 8 1 1 A 22 22 GLY H H 22 7.950 7.489 0.461 1
1 169 . 8 1 1 A 22 22 GLY HA2 H 22 4.740 4.114 0.626 1
1 170 . 8 1 1 A 22 22 GLY HA3 H 22 3.930 4.140 -0.210 1
1 171 . 8 1 1 A 22 22 GLY N N 22 111.620 103.685 7.935 1
1 172 . 8 1 1 A 23 23 GLN H H 23 8.520 8.697 -0.177 1
1 173 . 8 1 1 A 23 23 GLN HA H 23 3.910 4.408 -0.498 1
1 180 . 8 1 1 A 23 23 GLN N N 23 116.170 121.252 -5.082 1
1 182 . 8 1 1 A 24 24 SER H H 24 8.350 7.810 0.540 1
1 183 . 8 1 1 A 24 24 SER HA H 24 4.510 4.619 -0.109 1
1 186 . 8 1 1 A 24 24 SER N N 24 113.160 111.326 1.834 1
1 187 . 8 1 1 A 25 25 ALA H H 25 7.810 7.483 0.327 1
1 188 . 8 1 1 A 25 25 ALA HA H 25 4.230 4.452 -0.222 1
1 192 . 8 1 1 A 25 25 ALA N N 25 124.730 125.856 -1.126 1
1 193 . 8 1 1 A 26 26 GLY H H 26 8.310 8.466 -0.156 1
1 194 . 8 1 1 A 26 26 GLY HA2 H 26 4.570 4.209 0.361 1
1 195 . 8 1 1 A 26 26 GLY HA3 H 26 3.760 4.235 -0.475 1
1 196 . 8 1 1 A 26 26 GLY N N 26 107.850 111.996 -4.146 1
1 197 . 8 1 1 A 27 27 ALA H H 27 8.310 9.112 -0.802 1
1 198 . 8 1 1 A 27 27 ALA HA H 27 5.590 5.993 -0.403 1
1 202 . 8 1 1 A 27 27 ALA N N 27 119.550 125.954 -6.404 1
1 203 . 8 1 1 A 28 28 LYS H H 28 9.100 8.217 0.883 1
1 204 . 8 1 1 A 28 28 LYS HA H 28 4.460 4.945 -0.485 1
1 211 . 8 1 1 A 28 28 LYS N N 28 118.020 116.779 1.241 1
1 212 . 8 1 1 A 29 29 CYS H H 29 8.810 8.596 0.214 1
1 213 . 8 1 1 A 29 29 CYS HA H 29 5.010 5.686 -0.676 1
1 216 . 8 1 1 A 29 29 CYS N N 29 122.020 117.625 4.395 1
1 217 . 8 1 1 A 30 30 MET H H 30 8.960 8.318 0.642 1
1 218 . 8 1 1 A 30 30 MET HA H 30 4.810 4.711 0.099 1
1 223 . 8 1 1 A 30 30 MET N N 30 128.630 125.898 2.732 1
1 224 . 8 1 1 A 31 31 ASN H H 31 9.470 8.136 1.334 1
1 225 . 8 1 1 A 31 31 ASN HA H 31 4.380 4.505 -0.125 1
1 230 . 8 1 1 A 31 31 ASN N N 31 125.820 124.351 1.469 1
1 232 . 8 1 1 A 32 32 GLY H H 32 8.030 7.494 0.536 1
1 233 . 8 1 1 A 32 32 GLY HA2 H 32 4.150 4.008 0.142 1
1 234 . 8 1 1 A 32 32 GLY HA3 H 32 4.150 4.010 0.140 1
1 235 . 8 1 1 A 32 32 GLY N N 32 127.070 107.674 19.396 1
1 236 . 8 1 1 A 33 33 LYS H H 33 7.680 7.542 0.138 1
1 237 . 8 1 1 A 33 33 LYS HA H 33 5.220 5.187 0.033 1
1 246 . 8 1 1 A 33 33 LYS N N 33 120.610 118.222 2.388 1
1 247 . 8 1 1 A 34 34 CYS H H 34 8.520 7.943 0.577 1
1 248 . 8 1 1 A 34 34 CYS HA H 34 5.080 5.470 -0.390 1
1 251 . 8 1 1 A 34 34 CYS N N 34 121.200 119.132 2.068 1
1 252 . 8 1 1 A 35 35 LYS H H 35 9.120 8.431 0.689 1
1 253 . 8 1 1 A 35 35 LYS HA H 35 4.710 4.694 0.016 1
1 261 . 8 1 1 A 35 35 LYS N N 35 124.350 119.592 4.758 1
1 262 . 8 1 1 A 36 36 CYS H H 36 8.650 8.608 0.042 1
1 263 . 8 1 1 A 36 36 CYS HA H 36 5.380 5.394 -0.014 1
1 266 . 8 1 1 A 36 36 CYS N N 36 121.910 120.100 1.810 1
1 267 . 8 1 1 A 37 37 TYR H H 37 8.290 8.891 -0.601 1
1 268 . 8 1 1 A 37 37 TYR HA H 37 4.590 5.128 -0.538 1
1 273 . 8 1 1 A 37 37 TYR N N 37 121.040 123.742 -2.702 1
1 274 . 8 1 1 A 38 38 PRO HA H 38 4.080 4.399 -0.319 1
1 8 . 9 1 1 A 2 2 ILE H H 2 8.140 8.378 -0.238 1
1 9 . 9 1 1 A 2 2 ILE HA H 2 4.410 4.278 0.132 1
1 18 . 9 1 1 A 2 2 ILE N N 2 127.040 119.658 7.382 1
1 19 . 9 1 1 A 3 3 ILE H H 3 8.350 7.530 0.820 1
1 20 . 9 1 1 A 3 3 ILE HA H 3 4.460 4.613 -0.153 1
1 29 . 9 1 1 A 3 3 ILE N N 3 124.180 121.835 2.345 1
1 30 . 9 1 1 A 4 4 ASN H H 4 8.760 8.466 0.294 1
1 31 . 9 1 1 A 4 4 ASN HA H 4 4.770 5.072 -0.302 1
1 36 . 9 1 1 A 4 4 ASN N N 4 124.680 123.884 0.796 1
1 38 . 9 1 1 A 5 5 VAL H H 5 8.010 8.032 -0.022 1
1 39 . 9 1 1 A 5 5 VAL HA H 5 4.140 4.610 -0.470 1
1 44 . 9 1 1 A 5 5 VAL N N 5 122.870 122.613 0.257 1
1 45 . 9 1 1 A 6 6 LYS H H 6 8.420 8.371 0.049 1
1 46 . 9 1 1 A 6 6 LYS HA H 6 4.800 4.813 -0.013 1
1 55 . 9 1 1 A 6 6 LYS N N 6 127.220 123.180 4.040 1
1 56 . 9 1 1 A 7 7 CYS H H 7 8.050 8.794 -0.744 1
1 57 . 9 1 1 A 7 7 CYS HA H 7 5.010 5.021 -0.011 1
1 60 . 9 1 1 A 7 7 CYS N N 7 116.620 116.987 -0.367 1
1 61 . 9 1 1 A 8 8 THR H H 8 9.320 8.540 0.780 1
1 62 . 9 1 1 A 8 8 THR HA H 8 4.420 4.626 -0.206 1
1 65 . 9 1 1 A 8 8 THR N N 8 109.290 113.009 -3.719 1
1 66 . 9 1 1 A 9 9 SER H H 9 8.150 7.484 0.666 1
1 67 . 9 1 1 A 9 9 SER HA H 9 5.170 4.873 0.297 1
1 70 . 9 1 1 A 9 9 SER N N 9 119.010 113.073 5.937 1
1 71 . 9 1 1 A 10 10 PRO HA H 10 3.970 4.392 -0.422 1
1 78 . 9 1 1 A 11 11 LYS H H 11 8.000 8.081 -0.081 1
1 79 . 9 1 1 A 11 11 LYS HA H 11 4.020 4.059 -0.039 1
1 88 . 9 1 1 A 11 11 LYS N N 11 117.940 118.808 -0.868 1
1 89 . 9 1 1 A 12 12 GLN H H 12 7.160 7.862 -0.702 1
1 90 . 9 1 1 A 12 12 GLN HA H 12 4.200 4.186 0.014 1
1 97 . 9 1 1 A 12 12 GLN N N 12 115.030 118.191 -3.161 1
1 99 . 9 1 1 A 13 13 CYS H H 13 7.460 7.639 -0.179 1
1 100 . 9 1 1 A 13 13 CYS HA H 13 4.650 4.558 0.092 1
1 103 . 9 1 1 A 13 13 CYS N N 13 113.890 117.002 -3.112 1
1 104 . 9 1 1 A 14 14 LEU H H 14 7.400 7.508 -0.108 1
1 105 . 9 1 1 A 14 14 LEU HA H 14 4.060 3.909 0.151 1
1 115 . 9 1 1 A 14 14 LEU N N 14 121.670 120.940 0.730 1
1 116 . 9 1 1 A 15 15 PRO HA H 15 4.500 4.211 0.289 1
1 123 . 9 1 1 A 16 16 PRO HA H 16 4.530 4.111 0.419 1
1 130 . 9 1 1 A 17 17 CYS H H 17 7.740 7.858 -0.118 1
1 131 . 9 1 1 A 17 17 CYS HA H 17 4.840 4.324 0.516 1
1 134 . 9 1 1 A 17 17 CYS N N 17 116.640 114.334 2.306 1
1 135 . 9 1 1 A 18 18 LYS H H 18 8.820 7.955 0.865 1
1 136 . 9 1 1 A 18 18 LYS HA H 18 4.620 3.991 0.629 1
1 144 . 9 1 1 A 18 18 LYS N N 18 122.450 122.155 0.295 1
1 145 . 9 1 1 A 19 19 ALA H H 19 8.020 7.571 0.449 1
1 146 . 9 1 1 A 19 19 ALA HA H 19 4.030 4.378 -0.348 1
1 150 . 9 1 1 A 19 19 ALA N N 19 122.720 121.092 1.628 1
1 151 . 9 1 1 A 20 20 GLN H H 20 7.310 8.001 -0.691 1
1 152 . 9 1 1 A 20 20 GLN HA H 20 4.080 4.516 -0.436 1
1 159 . 9 1 1 A 20 20 GLN N N 20 114.530 117.308 -2.778 1
1 161 . 9 1 1 A 21 21 PHE H H 21 8.310 7.637 0.673 1
1 162 . 9 1 1 A 21 21 PHE HA H 21 4.880 4.400 0.480 1
1 167 . 9 1 1 A 21 21 PHE N N 21 113.930 117.503 -3.573 1
1 168 . 9 1 1 A 22 22 GLY H H 22 7.950 7.512 0.438 1
1 169 . 9 1 1 A 22 22 GLY HA2 H 22 4.740 4.124 0.616 1
1 170 . 9 1 1 A 22 22 GLY HA3 H 22 3.930 4.157 -0.227 1
1 171 . 9 1 1 A 22 22 GLY N N 22 111.620 103.709 7.911 1
1 172 . 9 1 1 A 23 23 GLN H H 23 8.520 8.719 -0.199 1
1 173 . 9 1 1 A 23 23 GLN HA H 23 3.910 4.052 -0.142 1
1 180 . 9 1 1 A 23 23 GLN N N 23 116.170 119.995 -3.825 1
1 182 . 9 1 1 A 24 24 SER H H 24 8.350 7.761 0.589 1
1 183 . 9 1 1 A 24 24 SER HA H 24 4.510 4.361 0.149 1
1 186 . 9 1 1 A 24 24 SER N N 24 113.160 111.529 1.631 1
1 187 . 9 1 1 A 25 25 ALA H H 25 7.810 7.120 0.690 1
1 188 . 9 1 1 A 25 25 ALA HA H 25 4.230 4.512 -0.282 1
1 192 . 9 1 1 A 25 25 ALA N N 25 124.730 125.957 -1.227 1
1 193 . 9 1 1 A 26 26 GLY H H 26 8.310 8.471 -0.161 1
1 194 . 9 1 1 A 26 26 GLY HA2 H 26 4.570 4.296 0.274 1
1 195 . 9 1 1 A 26 26 GLY HA3 H 26 3.760 4.340 -0.580 1
1 196 . 9 1 1 A 26 26 GLY N N 26 107.850 110.975 -3.125 1
1 197 . 9 1 1 A 27 27 ALA H H 27 8.310 9.074 -0.764 1
1 198 . 9 1 1 A 27 27 ALA HA H 27 5.590 5.909 -0.319 1
1 202 . 9 1 1 A 27 27 ALA N N 27 119.550 125.842 -6.292 1
1 203 . 9 1 1 A 28 28 LYS H H 28 9.100 8.444 0.656 1
1 204 . 9 1 1 A 28 28 LYS HA H 28 4.460 5.024 -0.564 1
1 211 . 9 1 1 A 28 28 LYS N N 28 118.020 117.834 0.186 1
1 212 . 9 1 1 A 29 29 CYS H H 29 8.810 8.631 0.179 1
1 213 . 9 1 1 A 29 29 CYS HA H 29 5.010 5.680 -0.670 1
1 216 . 9 1 1 A 29 29 CYS N N 29 122.020 117.788 4.232 1
1 217 . 9 1 1 A 30 30 MET H H 30 8.960 8.278 0.682 1
1 218 . 9 1 1 A 30 30 MET HA H 30 4.810 4.705 0.105 1
1 223 . 9 1 1 A 30 30 MET N N 30 128.630 125.806 2.824 1
1 224 . 9 1 1 A 31 31 ASN H H 31 9.470 8.807 0.663 1
1 225 . 9 1 1 A 31 31 ASN HA H 31 4.380 4.358 0.022 1
1 230 . 9 1 1 A 31 31 ASN N N 31 125.820 124.476 1.344 1
1 232 . 9 1 1 A 32 32 GLY H H 32 8.030 7.516 0.514 1
1 233 . 9 1 1 A 32 32 GLY HA2 H 32 4.150 4.010 0.140 1
1 234 . 9 1 1 A 32 32 GLY HA3 H 32 4.150 4.012 0.138 1
1 235 . 9 1 1 A 32 32 GLY N N 32 127.070 104.961 22.109 1
1 236 . 9 1 1 A 33 33 LYS H H 33 7.680 7.599 0.081 1
1 237 . 9 1 1 A 33 33 LYS HA H 33 5.220 5.064 0.156 1
1 246 . 9 1 1 A 33 33 LYS N N 33 120.610 118.481 2.129 1
1 247 . 9 1 1 A 34 34 CYS H H 34 8.520 7.899 0.621 1
1 248 . 9 1 1 A 34 34 CYS HA H 34 5.080 5.478 -0.398 1
1 251 . 9 1 1 A 34 34 CYS N N 34 121.200 119.541 1.659 1
1 252 . 9 1 1 A 35 35 LYS H H 35 9.120 8.464 0.656 1
1 253 . 9 1 1 A 35 35 LYS HA H 35 4.710 4.494 0.216 1
1 261 . 9 1 1 A 35 35 LYS N N 35 124.350 120.334 4.016 1
1 262 . 9 1 1 A 36 36 CYS H H 36 8.650 8.549 0.101 1
1 263 . 9 1 1 A 36 36 CYS HA H 36 5.380 5.138 0.242 1
1 266 . 9 1 1 A 36 36 CYS N N 36 121.910 123.161 -1.251 1
1 267 . 9 1 1 A 37 37 TYR H H 37 8.290 8.804 -0.514 1
1 268 . 9 1 1 A 37 37 TYR HA H 37 4.590 5.158 -0.568 1
1 273 . 9 1 1 A 37 37 TYR N N 37 121.040 124.740 -3.700 1
1 274 . 9 1 1 A 38 38 PRO HA H 38 4.080 4.376 -0.296 1
1 8 . 10 1 1 A 2 2 ILE H H 2 8.140 8.679 -0.539 1
1 9 . 10 1 1 A 2 2 ILE HA H 2 4.410 4.606 -0.196 1
1 18 . 10 1 1 A 2 2 ILE N N 2 127.040 121.877 5.163 1
1 19 . 10 1 1 A 3 3 ILE H H 3 8.350 8.677 -0.327 1
1 20 . 10 1 1 A 3 3 ILE HA H 3 4.460 4.905 -0.445 1
1 29 . 10 1 1 A 3 3 ILE N N 3 124.180 121.447 2.733 1
1 30 . 10 1 1 A 4 4 ASN H H 4 8.760 8.855 -0.095 1
1 31 . 10 1 1 A 4 4 ASN HA H 4 4.770 4.734 0.036 1
1 36 . 10 1 1 A 4 4 ASN N N 4 124.680 120.433 4.247 1
1 38 . 10 1 1 A 5 5 VAL H H 5 8.010 7.412 0.598 1
1 39 . 10 1 1 A 5 5 VAL HA H 5 4.140 4.552 -0.412 1
1 44 . 10 1 1 A 5 5 VAL N N 5 122.870 119.236 3.634 1
1 45 . 10 1 1 A 6 6 LYS H H 6 8.420 8.398 0.022 1
1 46 . 10 1 1 A 6 6 LYS HA H 6 4.800 4.851 -0.051 1
1 55 . 10 1 1 A 6 6 LYS N N 6 127.220 122.966 4.254 1
1 56 . 10 1 1 A 7 7 CYS H H 7 8.050 8.797 -0.747 1
1 57 . 10 1 1 A 7 7 CYS HA H 7 5.010 5.027 -0.017 1
1 60 . 10 1 1 A 7 7 CYS N N 7 116.620 117.070 -0.450 1
1 61 . 10 1 1 A 8 8 THR H H 8 9.320 8.534 0.786 1
1 62 . 10 1 1 A 8 8 THR HA H 8 4.420 4.605 -0.185 1
1 65 . 10 1 1 A 8 8 THR N N 8 109.290 113.235 -3.945 1
1 66 . 10 1 1 A 9 9 SER H H 9 8.150 7.543 0.607 1
1 67 . 10 1 1 A 9 9 SER HA H 9 5.170 4.876 0.294 1
1 70 . 10 1 1 A 9 9 SER N N 9 119.010 112.994 6.016 1
1 71 . 10 1 1 A 10 10 PRO HA H 10 3.970 4.400 -0.430 1
1 78 . 10 1 1 A 11 11 LYS H H 11 8.000 8.211 -0.211 1
1 79 . 10 1 1 A 11 11 LYS HA H 11 4.020 4.072 -0.052 1
1 88 . 10 1 1 A 11 11 LYS N N 11 117.940 118.495 -0.555 1
1 89 . 10 1 1 A 12 12 GLN H H 12 7.160 7.811 -0.651 1
1 90 . 10 1 1 A 12 12 GLN HA H 12 4.200 4.200 0.000 1
1 97 . 10 1 1 A 12 12 GLN N N 12 115.030 117.666 -2.636 1
1 99 . 10 1 1 A 13 13 CYS H H 13 7.460 7.707 -0.247 1
1 100 . 10 1 1 A 13 13 CYS HA H 13 4.650 4.593 0.057 1
1 103 . 10 1 1 A 13 13 CYS N N 13 113.890 116.965 -3.075 1
1 104 . 10 1 1 A 14 14 LEU H H 14 7.400 7.526 -0.126 1
1 105 . 10 1 1 A 14 14 LEU HA H 14 4.060 3.976 0.084 1
1 115 . 10 1 1 A 14 14 LEU N N 14 121.670 121.076 0.594 1
1 116 . 10 1 1 A 15 15 PRO HA H 15 4.500 4.260 0.240 1
1 123 . 10 1 1 A 16 16 PRO HA H 16 4.530 4.153 0.377 1
1 130 . 10 1 1 A 17 17 CYS H H 17 7.740 7.908 -0.168 1
1 131 . 10 1 1 A 17 17 CYS HA H 17 4.840 4.700 0.140 1
1 134 . 10 1 1 A 17 17 CYS N N 17 116.640 114.287 2.353 1
1 135 . 10 1 1 A 18 18 LYS H H 18 8.820 8.086 0.734 1
1 136 . 10 1 1 A 18 18 LYS HA H 18 4.620 4.381 0.239 1
1 144 . 10 1 1 A 18 18 LYS N N 18 122.450 122.584 -0.134 1
1 145 . 10 1 1 A 19 19 ALA H H 19 8.020 7.476 0.544 1
1 146 . 10 1 1 A 19 19 ALA HA H 19 4.030 4.217 -0.187 1
1 150 . 10 1 1 A 19 19 ALA N N 19 122.720 121.967 0.753 1
1 151 . 10 1 1 A 20 20 GLN H H 20 7.310 8.197 -0.887 1
1 152 . 10 1 1 A 20 20 GLN HA H 20 4.080 4.414 -0.334 1
1 159 . 10 1 1 A 20 20 GLN N N 20 114.530 117.645 -3.115 1
1 161 . 10 1 1 A 21 21 PHE H H 21 8.310 7.945 0.365 1
1 162 . 10 1 1 A 21 21 PHE HA H 21 4.880 4.370 0.510 1
1 167 . 10 1 1 A 21 21 PHE N N 21 113.930 117.174 -3.244 1
1 168 . 10 1 1 A 22 22 GLY H H 22 7.950 7.591 0.359 1
1 169 . 10 1 1 A 22 22 GLY HA2 H 22 4.740 4.147 0.593 1
1 170 . 10 1 1 A 22 22 GLY HA3 H 22 3.930 4.162 -0.232 1
1 171 . 10 1 1 A 22 22 GLY N N 22 111.620 103.785 7.835 1
1 172 . 10 1 1 A 23 23 GLN H H 23 8.520 8.689 -0.169 1
1 173 . 10 1 1 A 23 23 GLN HA H 23 3.910 4.152 -0.242 1
1 180 . 10 1 1 A 23 23 GLN N N 23 116.170 120.404 -4.234 1
1 182 . 10 1 1 A 24 24 SER H H 24 8.350 7.791 0.559 1
1 183 . 10 1 1 A 24 24 SER HA H 24 4.510 4.378 0.132 1
1 186 . 10 1 1 A 24 24 SER N N 24 113.160 111.540 1.620 1
1 187 . 10 1 1 A 25 25 ALA H H 25 7.810 7.142 0.668 1
1 188 . 10 1 1 A 25 25 ALA HA H 25 4.230 4.053 0.177 1
1 192 . 10 1 1 A 25 25 ALA N N 25 124.730 125.637 -0.907 1
1 193 . 10 1 1 A 26 26 GLY H H 26 8.310 8.155 0.155 1
1 194 . 10 1 1 A 26 26 GLY HA2 H 26 4.570 4.192 0.378 1
1 195 . 10 1 1 A 26 26 GLY HA3 H 26 3.760 4.210 -0.450 1
1 196 . 10 1 1 A 26 26 GLY N N 26 107.850 110.093 -2.243 1
1 197 . 10 1 1 A 27 27 ALA H H 27 8.310 8.945 -0.635 1
1 198 . 10 1 1 A 27 27 ALA HA H 27 5.590 5.886 -0.296 1
1 202 . 10 1 1 A 27 27 ALA N N 27 119.550 125.354 -5.804 1
1 203 . 10 1 1 A 28 28 LYS H H 28 9.100 8.450 0.650 1
1 204 . 10 1 1 A 28 28 LYS HA H 28 4.460 5.089 -0.629 1
1 211 . 10 1 1 A 28 28 LYS N N 28 118.020 118.224 -0.204 1
1 212 . 10 1 1 A 29 29 CYS H H 29 8.810 8.610 0.200 1
1 213 . 10 1 1 A 29 29 CYS HA H 29 5.010 5.715 -0.705 1
1 216 . 10 1 1 A 29 29 CYS N N 29 122.020 117.789 4.231 1
1 217 . 10 1 1 A 30 30 MET H H 30 8.960 8.397 0.563 1
1 218 . 10 1 1 A 30 30 MET HA H 30 4.810 4.704 0.106 1
1 223 . 10 1 1 A 30 30 MET N N 30 128.630 125.984 2.646 1
1 224 . 10 1 1 A 31 31 ASN H H 31 9.470 8.600 0.870 1
1 225 . 10 1 1 A 31 31 ASN HA H 31 4.380 4.368 0.012 1
1 230 . 10 1 1 A 31 31 ASN N N 31 125.820 123.652 2.168 1
1 232 . 10 1 1 A 32 32 GLY H H 32 8.030 7.491 0.539 1
1 233 . 10 1 1 A 32 32 GLY HA2 H 32 4.150 4.013 0.137 1
1 234 . 10 1 1 A 32 32 GLY HA3 H 32 4.150 4.015 0.135 1
1 235 . 10 1 1 A 32 32 GLY N N 32 127.070 106.057 21.013 1
1 236 . 10 1 1 A 33 33 LYS H H 33 7.680 7.604 0.076 1
1 237 . 10 1 1 A 33 33 LYS HA H 33 5.220 5.331 -0.111 1
1 246 . 10 1 1 A 33 33 LYS N N 33 120.610 118.431 2.179 1
1 247 . 10 1 1 A 34 34 CYS H H 34 8.520 7.967 0.553 1
1 248 . 10 1 1 A 34 34 CYS HA H 34 5.080 5.471 -0.391 1
1 251 . 10 1 1 A 34 34 CYS N N 34 121.200 119.361 1.839 1
1 252 . 10 1 1 A 35 35 LYS H H 35 9.120 8.532 0.588 1
1 253 . 10 1 1 A 35 35 LYS HA H 35 4.710 4.640 0.070 1
1 261 . 10 1 1 A 35 35 LYS N N 35 124.350 121.283 3.067 1
1 262 . 10 1 1 A 36 36 CYS H H 36 8.650 8.569 0.081 1
1 263 . 10 1 1 A 36 36 CYS HA H 36 5.380 5.271 0.109 1
1 266 . 10 1 1 A 36 36 CYS N N 36 121.910 123.766 -1.856 1
1 267 . 10 1 1 A 37 37 TYR H H 37 8.290 8.473 -0.183 1
1 268 . 10 1 1 A 37 37 TYR HA H 37 4.590 4.999 -0.409 1
1 273 . 10 1 1 A 37 37 TYR N N 37 121.040 124.181 -3.141 1
1 274 . 10 1 1 A 38 38 PRO HA H 38 4.080 4.140 -0.060 1
1 8 . 11 1 1 A 2 2 ILE H H 2 8.140 8.747 -0.607 1
1 9 . 11 1 1 A 2 2 ILE HA H 2 4.410 4.628 -0.218 1
1 18 . 11 1 1 A 2 2 ILE N N 2 127.040 122.177 4.863 1
1 19 . 11 1 1 A 3 3 ILE H H 3 8.350 8.652 -0.302 1
1 20 . 11 1 1 A 3 3 ILE HA H 3 4.460 4.879 -0.419 1
1 29 . 11 1 1 A 3 3 ILE N N 3 124.180 120.440 3.740 1
1 30 . 11 1 1 A 4 4 ASN H H 4 8.760 8.825 -0.065 1
1 31 . 11 1 1 A 4 4 ASN HA H 4 4.770 5.018 -0.248 1
1 36 . 11 1 1 A 4 4 ASN N N 4 124.680 123.519 1.161 1
1 38 . 11 1 1 A 5 5 VAL H H 5 8.010 7.504 0.506 1
1 39 . 11 1 1 A 5 5 VAL HA H 5 4.140 4.269 -0.129 1
1 44 . 11 1 1 A 5 5 VAL N N 5 122.870 120.442 2.428 1
1 45 . 11 1 1 A 6 6 LYS H H 6 8.420 8.290 0.130 1
1 46 . 11 1 1 A 6 6 LYS HA H 6 4.800 5.024 -0.224 1
1 55 . 11 1 1 A 6 6 LYS N N 6 127.220 122.907 4.313 1
1 56 . 11 1 1 A 7 7 CYS H H 7 8.050 8.784 -0.734 1
1 57 . 11 1 1 A 7 7 CYS HA H 7 5.010 5.016 -0.006 1
1 60 . 11 1 1 A 7 7 CYS N N 7 116.620 117.240 -0.620 1
1 61 . 11 1 1 A 8 8 THR H H 8 9.320 8.497 0.823 1
1 62 . 11 1 1 A 8 8 THR HA H 8 4.420 4.543 -0.123 1
1 65 . 11 1 1 A 8 8 THR N N 8 109.290 113.096 -3.806 1
1 66 . 11 1 1 A 9 9 SER H H 9 8.150 7.459 0.691 1
1 67 . 11 1 1 A 9 9 SER HA H 9 5.170 4.913 0.257 1
1 70 . 11 1 1 A 9 9 SER N N 9 119.010 112.892 6.118 1
1 71 . 11 1 1 A 10 10 PRO HA H 10 3.970 4.414 -0.444 1
1 78 . 11 1 1 A 11 11 LYS H H 11 8.000 8.040 -0.040 1
1 79 . 11 1 1 A 11 11 LYS HA H 11 4.020 4.057 -0.037 1
1 88 . 11 1 1 A 11 11 LYS N N 11 117.940 118.563 -0.623 1
1 89 . 11 1 1 A 12 12 GLN H H 12 7.160 7.749 -0.589 1
1 90 . 11 1 1 A 12 12 GLN HA H 12 4.200 4.183 0.017 1
1 97 . 11 1 1 A 12 12 GLN N N 12 115.030 117.905 -2.875 1
1 99 . 11 1 1 A 13 13 CYS H H 13 7.460 7.739 -0.279 1
1 100 . 11 1 1 A 13 13 CYS HA H 13 4.650 4.541 0.109 1
1 103 . 11 1 1 A 13 13 CYS N N 13 113.890 117.007 -3.117 1
1 104 . 11 1 1 A 14 14 LEU H H 14 7.400 7.534 -0.134 1
1 105 . 11 1 1 A 14 14 LEU HA H 14 4.060 4.004 0.056 1
1 115 . 11 1 1 A 14 14 LEU N N 14 121.670 121.736 -0.066 1
1 116 . 11 1 1 A 15 15 PRO HA H 15 4.500 4.212 0.288 1
1 123 . 11 1 1 A 16 16 PRO HA H 16 4.530 4.148 0.382 1
1 130 . 11 1 1 A 17 17 CYS H H 17 7.740 8.010 -0.270 1
1 131 . 11 1 1 A 17 17 CYS HA H 17 4.840 4.085 0.755 1
1 134 . 11 1 1 A 17 17 CYS N N 17 116.640 115.190 1.450 1
1 135 . 11 1 1 A 18 18 LYS H H 18 8.820 7.883 0.937 1
1 136 . 11 1 1 A 18 18 LYS HA H 18 4.620 3.993 0.627 1
1 144 . 11 1 1 A 18 18 LYS N N 18 122.450 121.582 0.868 1
1 145 . 11 1 1 A 19 19 ALA H H 19 8.020 7.478 0.542 1
1 146 . 11 1 1 A 19 19 ALA HA H 19 4.030 4.294 -0.264 1
1 150 . 11 1 1 A 19 19 ALA N N 19 122.720 120.622 2.098 1
1 151 . 11 1 1 A 20 20 GLN H H 20 7.310 8.116 -0.806 1
1 152 . 11 1 1 A 20 20 GLN HA H 20 4.080 4.683 -0.603 1
1 159 . 11 1 1 A 20 20 GLN N N 20 114.530 117.386 -2.856 1
1 161 . 11 1 1 A 21 21 PHE H H 21 8.310 7.186 1.124 1
1 162 . 11 1 1 A 21 21 PHE HA H 21 4.880 4.357 0.523 1
1 167 . 11 1 1 A 21 21 PHE N N 21 113.930 117.571 -3.641 1
1 168 . 11 1 1 A 22 22 GLY H H 22 7.950 7.411 0.539 1
1 169 . 11 1 1 A 22 22 GLY HA2 H 22 4.740 4.124 0.616 1
1 170 . 11 1 1 A 22 22 GLY HA3 H 22 3.930 4.157 -0.227 1
1 171 . 11 1 1 A 22 22 GLY N N 22 111.620 103.739 7.881 1
1 172 . 11 1 1 A 23 23 GLN H H 23 8.520 8.687 -0.167 1
1 173 . 11 1 1 A 23 23 GLN HA H 23 3.910 4.120 -0.210 1
1 180 . 11 1 1 A 23 23 GLN N N 23 116.170 120.325 -4.155 1
1 182 . 11 1 1 A 24 24 SER H H 24 8.350 7.836 0.514 1
1 183 . 11 1 1 A 24 24 SER HA H 24 4.510 4.501 0.009 1
1 186 . 11 1 1 A 24 24 SER N N 24 113.160 111.410 1.750 1
1 187 . 11 1 1 A 25 25 ALA H H 25 7.810 7.400 0.410 1
1 188 . 11 1 1 A 25 25 ALA HA H 25 4.230 4.473 -0.243 1
1 192 . 11 1 1 A 25 25 ALA N N 25 124.730 125.920 -1.190 1
1 193 . 11 1 1 A 26 26 GLY H H 26 8.310 8.438 -0.128 1
1 194 . 11 1 1 A 26 26 GLY HA2 H 26 4.570 4.215 0.355 1
1 195 . 11 1 1 A 26 26 GLY HA3 H 26 3.760 4.235 -0.475 1
1 196 . 11 1 1 A 26 26 GLY N N 26 107.850 111.597 -3.747 1
1 197 . 11 1 1 A 27 27 ALA H H 27 8.310 9.126 -0.816 1
1 198 . 11 1 1 A 27 27 ALA HA H 27 5.590 5.930 -0.340 1
1 202 . 11 1 1 A 27 27 ALA N N 27 119.550 126.041 -6.491 1
1 203 . 11 1 1 A 28 28 LYS H H 28 9.100 8.188 0.912 1
1 204 . 11 1 1 A 28 28 LYS HA H 28 4.460 5.028 -0.568 1
1 211 . 11 1 1 A 28 28 LYS N N 28 118.020 116.114 1.906 1
1 212 . 11 1 1 A 29 29 CYS H H 29 8.810 8.571 0.239 1
1 213 . 11 1 1 A 29 29 CYS HA H 29 5.010 5.752 -0.742 1
1 216 . 11 1 1 A 29 29 CYS N N 29 122.020 117.662 4.358 1
1 217 . 11 1 1 A 30 30 MET H H 30 8.960 8.375 0.585 1
1 218 . 11 1 1 A 30 30 MET HA H 30 4.810 4.816 -0.006 1
1 223 . 11 1 1 A 30 30 MET N N 30 128.630 126.031 2.599 1
1 224 . 11 1 1 A 31 31 ASN H H 31 9.470 8.699 0.771 1
1 225 . 11 1 1 A 31 31 ASN HA H 31 4.380 4.477 -0.097 1
1 230 . 11 1 1 A 31 31 ASN N N 31 125.820 119.265 6.555 1
1 232 . 11 1 1 A 32 32 GLY H H 32 8.030 7.486 0.544 1
1 233 . 11 1 1 A 32 32 GLY HA2 H 32 4.150 4.114 0.036 1
1 234 . 11 1 1 A 32 32 GLY HA3 H 32 4.150 4.114 0.036 1
1 235 . 11 1 1 A 32 32 GLY N N 32 127.070 105.780 21.290 1
1 236 . 11 1 1 A 33 33 LYS H H 33 7.680 7.825 -0.145 1
1 237 . 11 1 1 A 33 33 LYS HA H 33 5.220 5.196 0.024 1
1 246 . 11 1 1 A 33 33 LYS N N 33 120.610 118.843 1.767 1
1 247 . 11 1 1 A 34 34 CYS H H 34 8.520 8.557 -0.037 1
1 248 . 11 1 1 A 34 34 CYS HA H 34 5.080 5.499 -0.419 1
1 251 . 11 1 1 A 34 34 CYS N N 34 121.200 121.110 0.090 1
1 252 . 11 1 1 A 35 35 LYS H H 35 9.120 8.314 0.806 1
1 253 . 11 1 1 A 35 35 LYS HA H 35 4.710 4.660 0.050 1
1 261 . 11 1 1 A 35 35 LYS N N 35 124.350 123.026 1.324 1
1 262 . 11 1 1 A 36 36 CYS H H 36 8.650 8.675 -0.025 1
1 263 . 11 1 1 A 36 36 CYS HA H 36 5.380 5.235 0.145 1
1 266 . 11 1 1 A 36 36 CYS N N 36 121.910 125.327 -3.417 1
1 267 . 11 1 1 A 37 37 TYR H H 37 8.290 8.719 -0.429 1
1 268 . 11 1 1 A 37 37 TYR HA H 37 4.590 5.151 -0.561 1
1 273 . 11 1 1 A 37 37 TYR N N 37 121.040 124.373 -3.333 1
1 274 . 11 1 1 A 38 38 PRO HA H 38 4.080 4.429 -0.349 1
1 8 . 12 1 1 A 2 2 ILE H H 2 8.140 8.760 -0.620 1
1 9 . 12 1 1 A 2 2 ILE HA H 2 4.410 4.317 0.093 1
1 18 . 12 1 1 A 2 2 ILE N N 2 127.040 121.106 5.934 1
1 19 . 12 1 1 A 3 3 ILE H H 3 8.350 7.626 0.724 1
1 20 . 12 1 1 A 3 3 ILE HA H 3 4.460 4.665 -0.205 1
1 29 . 12 1 1 A 3 3 ILE N N 3 124.180 122.122 2.058 1
1 30 . 12 1 1 A 4 4 ASN H H 4 8.760 8.677 0.083 1
1 31 . 12 1 1 A 4 4 ASN HA H 4 4.770 5.071 -0.301 1
1 36 . 12 1 1 A 4 4 ASN N N 4 124.680 123.742 0.938 1
1 38 . 12 1 1 A 5 5 VAL H H 5 8.010 8.131 -0.121 1
1 39 . 12 1 1 A 5 5 VAL HA H 5 4.140 4.569 -0.429 1
1 44 . 12 1 1 A 5 5 VAL N N 5 122.870 124.293 -1.423 1
1 45 . 12 1 1 A 6 6 LYS H H 6 8.420 8.345 0.075 1
1 46 . 12 1 1 A 6 6 LYS HA H 6 4.800 5.142 -0.342 1
1 55 . 12 1 1 A 6 6 LYS N N 6 127.220 121.461 5.759 1
1 56 . 12 1 1 A 7 7 CYS H H 7 8.050 8.798 -0.748 1
1 57 . 12 1 1 A 7 7 CYS HA H 7 5.010 5.016 -0.006 1
1 60 . 12 1 1 A 7 7 CYS N N 7 116.620 117.024 -0.404 1
1 61 . 12 1 1 A 8 8 THR H H 8 9.320 8.346 0.974 1
1 62 . 12 1 1 A 8 8 THR HA H 8 4.420 4.695 -0.275 1
1 65 . 12 1 1 A 8 8 THR N N 8 109.290 113.902 -4.612 1
1 66 . 12 1 1 A 9 9 SER H H 9 8.150 7.528 0.622 1
1 67 . 12 1 1 A 9 9 SER HA H 9 5.170 4.859 0.311 1
1 70 . 12 1 1 A 9 9 SER N N 9 119.010 112.625 6.385 1
1 71 . 12 1 1 A 10 10 PRO HA H 10 3.970 4.367 -0.397 1
1 78 . 12 1 1 A 11 11 LYS H H 11 8.000 8.147 -0.147 1
1 79 . 12 1 1 A 11 11 LYS HA H 11 4.020 4.035 -0.015 1
1 88 . 12 1 1 A 11 11 LYS N N 11 117.940 118.776 -0.836 1
1 89 . 12 1 1 A 12 12 GLN H H 12 7.160 7.825 -0.665 1
1 90 . 12 1 1 A 12 12 GLN HA H 12 4.200 4.158 0.042 1
1 97 . 12 1 1 A 12 12 GLN N N 12 115.030 117.666 -2.636 1
1 99 . 12 1 1 A 13 13 CYS H H 13 7.460 7.802 -0.342 1
1 100 . 12 1 1 A 13 13 CYS HA H 13 4.650 4.579 0.071 1
1 103 . 12 1 1 A 13 13 CYS N N 13 113.890 116.995 -3.105 1
1 104 . 12 1 1 A 14 14 LEU H H 14 7.400 7.416 -0.016 1
1 105 . 12 1 1 A 14 14 LEU HA H 14 4.060 3.937 0.123 1
1 115 . 12 1 1 A 14 14 LEU N N 14 121.670 121.952 -0.282 1
1 116 . 12 1 1 A 15 15 PRO HA H 15 4.500 4.215 0.285 1
1 123 . 12 1 1 A 16 16 PRO HA H 16 4.530 4.120 0.410 1
1 130 . 12 1 1 A 17 17 CYS H H 17 7.740 7.827 -0.087 1
1 131 . 12 1 1 A 17 17 CYS HA H 17 4.840 4.395 0.445 1
1 134 . 12 1 1 A 17 17 CYS N N 17 116.640 114.455 2.185 1
1 135 . 12 1 1 A 18 18 LYS H H 18 8.820 8.024 0.796 1
1 136 . 12 1 1 A 18 18 LYS HA H 18 4.620 4.022 0.598 1
1 144 . 12 1 1 A 18 18 LYS N N 18 122.450 122.392 0.058 1
1 145 . 12 1 1 A 19 19 ALA H H 19 8.020 7.578 0.442 1
1 146 . 12 1 1 A 19 19 ALA HA H 19 4.030 4.413 -0.383 1
1 150 . 12 1 1 A 19 19 ALA N N 19 122.720 121.411 1.309 1
1 151 . 12 1 1 A 20 20 GLN H H 20 7.310 8.124 -0.814 1
1 152 . 12 1 1 A 20 20 GLN HA H 20 4.080 4.403 -0.323 1
1 159 . 12 1 1 A 20 20 GLN N N 20 114.530 117.765 -3.235 1
1 161 . 12 1 1 A 21 21 PHE H H 21 8.310 7.574 0.736 1
1 162 . 12 1 1 A 21 21 PHE HA H 21 4.880 4.366 0.514 1
1 167 . 12 1 1 A 21 21 PHE N N 21 113.930 117.295 -3.365 1
1 168 . 12 1 1 A 22 22 GLY H H 22 7.950 7.527 0.423 1
1 169 . 12 1 1 A 22 22 GLY HA2 H 22 4.740 4.149 0.591 1
1 170 . 12 1 1 A 22 22 GLY HA3 H 22 3.930 4.180 -0.250 1
1 171 . 12 1 1 A 22 22 GLY N N 22 111.620 103.729 7.891 1
1 172 . 12 1 1 A 23 23 GLN H H 23 8.520 8.829 -0.309 1
1 173 . 12 1 1 A 23 23 GLN HA H 23 3.910 4.163 -0.253 1
1 180 . 12 1 1 A 23 23 GLN N N 23 116.170 120.538 -4.368 1
1 182 . 12 1 1 A 24 24 SER H H 24 8.350 7.845 0.505 1
1 183 . 12 1 1 A 24 24 SER HA H 24 4.510 4.484 0.026 1
1 186 . 12 1 1 A 24 24 SER N N 24 113.160 111.484 1.676 1
1 187 . 12 1 1 A 25 25 ALA H H 25 7.810 7.567 0.243 1
1 188 . 12 1 1 A 25 25 ALA HA H 25 4.230 4.512 -0.282 1
1 192 . 12 1 1 A 25 25 ALA N N 25 124.730 126.042 -1.312 1
1 193 . 12 1 1 A 26 26 GLY H H 26 8.310 8.531 -0.221 1
1 194 . 12 1 1 A 26 26 GLY HA2 H 26 4.570 3.863 0.707 1
1 195 . 12 1 1 A 26 26 GLY HA3 H 26 3.760 4.027 -0.267 1
1 196 . 12 1 1 A 26 26 GLY N N 26 107.850 111.510 -3.660 1
1 197 . 12 1 1 A 27 27 ALA H H 27 8.310 8.869 -0.559 1
1 198 . 12 1 1 A 27 27 ALA HA H 27 5.590 5.841 -0.251 1
1 202 . 12 1 1 A 27 27 ALA N N 27 119.550 125.440 -5.890 1
1 203 . 12 1 1 A 28 28 LYS H H 28 9.100 8.270 0.830 1
1 204 . 12 1 1 A 28 28 LYS HA H 28 4.460 4.996 -0.536 1
1 211 . 12 1 1 A 28 28 LYS N N 28 118.020 116.638 1.382 1
1 212 . 12 1 1 A 29 29 CYS H H 29 8.810 8.521 0.289 1
1 213 . 12 1 1 A 29 29 CYS HA H 29 5.010 5.645 -0.635 1
1 216 . 12 1 1 A 29 29 CYS N N 29 122.020 117.889 4.131 1
1 217 . 12 1 1 A 30 30 MET H H 30 8.960 8.315 0.645 1
1 218 . 12 1 1 A 30 30 MET HA H 30 4.810 4.697 0.113 1
1 223 . 12 1 1 A 30 30 MET N N 30 128.630 125.735 2.895 1
1 224 . 12 1 1 A 31 31 ASN H H 31 9.470 8.851 0.619 1
1 225 . 12 1 1 A 31 31 ASN HA H 31 4.380 4.348 0.032 1
1 230 . 12 1 1 A 31 31 ASN N N 31 125.820 124.755 1.065 1
1 232 . 12 1 1 A 32 32 GLY H H 32 8.030 7.477 0.553 1
1 233 . 12 1 1 A 32 32 GLY HA2 H 32 4.150 4.011 0.139 1
1 234 . 12 1 1 A 32 32 GLY HA3 H 32 4.150 4.013 0.137 1
1 235 . 12 1 1 A 32 32 GLY N N 32 127.070 105.134 21.936 1
1 236 . 12 1 1 A 33 33 LYS H H 33 7.680 7.578 0.102 1
1 237 . 12 1 1 A 33 33 LYS HA H 33 5.220 5.247 -0.027 1
1 246 . 12 1 1 A 33 33 LYS N N 33 120.610 118.487 2.123 1
1 247 . 12 1 1 A 34 34 CYS H H 34 8.520 7.914 0.606 1
1 248 . 12 1 1 A 34 34 CYS HA H 34 5.080 5.316 -0.236 1
1 251 . 12 1 1 A 34 34 CYS N N 34 121.200 119.651 1.549 1
1 252 . 12 1 1 A 35 35 LYS H H 35 9.120 8.567 0.553 1
1 253 . 12 1 1 A 35 35 LYS HA H 35 4.710 4.762 -0.052 1
1 261 . 12 1 1 A 35 35 LYS N N 35 124.350 120.350 4.000 1
1 262 . 12 1 1 A 36 36 CYS H H 36 8.650 8.833 -0.183 1
1 263 . 12 1 1 A 36 36 CYS HA H 36 5.380 5.516 -0.136 1
1 266 . 12 1 1 A 36 36 CYS N N 36 121.910 122.442 -0.532 1
1 267 . 12 1 1 A 37 37 TYR H H 37 8.290 9.103 -0.813 1
1 268 . 12 1 1 A 37 37 TYR HA H 37 4.590 5.174 -0.584 1
1 273 . 12 1 1 A 37 37 TYR N N 37 121.040 124.009 -2.969 1
1 274 . 12 1 1 A 38 38 PRO HA H 38 4.080 3.590 0.490 1
1 8 . 13 1 1 A 2 2 ILE H H 2 8.140 8.731 -0.591 1
1 9 . 13 1 1 A 2 2 ILE HA H 2 4.410 4.653 -0.243 1
1 18 . 13 1 1 A 2 2 ILE N N 2 127.040 123.410 3.630 1
1 19 . 13 1 1 A 3 3 ILE H H 3 8.350 8.705 -0.355 1
1 20 . 13 1 1 A 3 3 ILE HA H 3 4.460 4.920 -0.460 1
1 29 . 13 1 1 A 3 3 ILE N N 3 124.180 121.423 2.757 1
1 30 . 13 1 1 A 4 4 ASN H H 4 8.760 8.510 0.250 1
1 31 . 13 1 1 A 4 4 ASN HA H 4 4.770 5.083 -0.313 1
1 36 . 13 1 1 A 4 4 ASN N N 4 124.680 118.644 6.036 1
1 38 . 13 1 1 A 5 5 VAL H H 5 8.010 7.318 0.692 1
1 39 . 13 1 1 A 5 5 VAL HA H 5 4.140 4.151 -0.011 1
1 44 . 13 1 1 A 5 5 VAL N N 5 122.870 120.793 2.077 1
1 45 . 13 1 1 A 6 6 LYS H H 6 8.420 8.277 0.143 1
1 46 . 13 1 1 A 6 6 LYS HA H 6 4.800 4.669 0.131 1
1 55 . 13 1 1 A 6 6 LYS N N 6 127.220 122.669 4.551 1
1 56 . 13 1 1 A 7 7 CYS H H 7 8.050 8.782 -0.732 1
1 57 . 13 1 1 A 7 7 CYS HA H 7 5.010 5.041 -0.031 1
1 60 . 13 1 1 A 7 7 CYS N N 7 116.620 116.586 0.034 1
1 61 . 13 1 1 A 8 8 THR H H 8 9.320 8.517 0.803 1
1 62 . 13 1 1 A 8 8 THR HA H 8 4.420 4.696 -0.276 1
1 65 . 13 1 1 A 8 8 THR N N 8 109.290 112.649 -3.359 1
1 66 . 13 1 1 A 9 9 SER H H 9 8.150 7.490 0.660 1
1 67 . 13 1 1 A 9 9 SER HA H 9 5.170 4.892 0.278 1
1 70 . 13 1 1 A 9 9 SER N N 9 119.010 112.969 6.041 1
1 71 . 13 1 1 A 10 10 PRO HA H 10 3.970 4.529 -0.559 1
1 78 . 13 1 1 A 11 11 LYS H H 11 8.000 8.118 -0.118 1
1 79 . 13 1 1 A 11 11 LYS HA H 11 4.020 4.061 -0.041 1
1 88 . 13 1 1 A 11 11 LYS N N 11 117.940 118.674 -0.734 1
1 89 . 13 1 1 A 12 12 GLN H H 12 7.160 7.781 -0.621 1
1 90 . 13 1 1 A 12 12 GLN HA H 12 4.200 4.205 -0.005 1
1 97 . 13 1 1 A 12 12 GLN N N 12 115.030 117.548 -2.518 1
1 99 . 13 1 1 A 13 13 CYS H H 13 7.460 7.661 -0.201 1
1 100 . 13 1 1 A 13 13 CYS HA H 13 4.650 4.506 0.144 1
1 103 . 13 1 1 A 13 13 CYS N N 13 113.890 116.920 -3.030 1
1 104 . 13 1 1 A 14 14 LEU H H 14 7.400 7.631 -0.231 1
1 105 . 13 1 1 A 14 14 LEU HA H 14 4.060 4.088 -0.028 1
1 115 . 13 1 1 A 14 14 LEU N N 14 121.670 122.412 -0.742 1
1 116 . 13 1 1 A 15 15 PRO HA H 15 4.500 4.264 0.236 1
1 123 . 13 1 1 A 16 16 PRO HA H 16 4.530 4.221 0.309 1
1 130 . 13 1 1 A 17 17 CYS H H 17 7.740 8.226 -0.486 1
1 131 . 13 1 1 A 17 17 CYS HA H 17 4.840 4.622 0.218 1
1 134 . 13 1 1 A 17 17 CYS N N 17 116.640 115.431 1.209 1
1 135 . 13 1 1 A 18 18 LYS H H 18 8.820 8.156 0.664 1
1 136 . 13 1 1 A 18 18 LYS HA H 18 4.620 4.741 -0.121 1
1 144 . 13 1 1 A 18 18 LYS N N 18 122.450 121.328 1.122 1
1 145 . 13 1 1 A 19 19 ALA H H 19 8.020 7.556 0.464 1
1 146 . 13 1 1 A 19 19 ALA HA H 19 4.030 4.449 -0.419 1
1 150 . 13 1 1 A 19 19 ALA N N 19 122.720 121.394 1.326 1
1 151 . 13 1 1 A 20 20 GLN H H 20 7.310 8.275 -0.965 1
1 152 . 13 1 1 A 20 20 GLN HA H 20 4.080 4.519 -0.439 1
1 159 . 13 1 1 A 20 20 GLN N N 20 114.530 117.470 -2.940 1
1 161 . 13 1 1 A 21 21 PHE H H 21 8.310 8.250 0.060 1
1 162 . 13 1 1 A 21 21 PHE HA H 21 4.880 4.445 0.435 1
1 167 . 13 1 1 A 21 21 PHE N N 21 113.930 116.271 -2.341 1
1 168 . 13 1 1 A 22 22 GLY H H 22 7.950 7.580 0.370 1
1 169 . 13 1 1 A 22 22 GLY HA2 H 22 4.740 4.197 0.543 1
1 170 . 13 1 1 A 22 22 GLY HA3 H 22 3.930 4.216 -0.286 1
1 171 . 13 1 1 A 22 22 GLY N N 22 111.620 105.059 6.561 1
1 172 . 13 1 1 A 23 23 GLN H H 23 8.520 8.598 -0.078 1
1 173 . 13 1 1 A 23 23 GLN HA H 23 3.910 4.455 -0.545 1
1 180 . 13 1 1 A 23 23 GLN N N 23 116.170 122.059 -5.889 1
1 182 . 13 1 1 A 24 24 SER H H 24 8.350 7.824 0.526 1
1 183 . 13 1 1 A 24 24 SER HA H 24 4.510 4.596 -0.086 1
1 186 . 13 1 1 A 24 24 SER N N 24 113.160 111.573 1.587 1
1 187 . 13 1 1 A 25 25 ALA H H 25 7.810 7.454 0.356 1
1 188 . 13 1 1 A 25 25 ALA HA H 25 4.230 4.078 0.152 1
1 192 . 13 1 1 A 25 25 ALA N N 25 124.730 125.866 -1.136 1
1 193 . 13 1 1 A 26 26 GLY H H 26 8.310 8.394 -0.084 1
1 194 . 13 1 1 A 26 26 GLY HA2 H 26 4.570 4.180 0.390 1
1 195 . 13 1 1 A 26 26 GLY HA3 H 26 3.760 4.214 -0.454 1
1 196 . 13 1 1 A 26 26 GLY N N 26 107.850 111.853 -4.003 1
1 197 . 13 1 1 A 27 27 ALA H H 27 8.310 9.102 -0.792 1
1 198 . 13 1 1 A 27 27 ALA HA H 27 5.590 5.810 -0.220 1
1 202 . 13 1 1 A 27 27 ALA N N 27 119.550 125.854 -6.304 1
1 203 . 13 1 1 A 28 28 LYS H H 28 9.100 8.159 0.941 1
1 204 . 13 1 1 A 28 28 LYS HA H 28 4.460 4.971 -0.511 1
1 211 . 13 1 1 A 28 28 LYS N N 28 118.020 116.282 1.738 1
1 212 . 13 1 1 A 29 29 CYS H H 29 8.810 8.561 0.249 1
1 213 . 13 1 1 A 29 29 CYS HA H 29 5.010 5.587 -0.577 1
1 216 . 13 1 1 A 29 29 CYS N N 29 122.020 117.790 4.230 1
1 217 . 13 1 1 A 30 30 MET H H 30 8.960 8.258 0.702 1
1 218 . 13 1 1 A 30 30 MET HA H 30 4.810 4.801 0.009 1
1 223 . 13 1 1 A 30 30 MET N N 30 128.630 125.024 3.606 1
1 224 . 13 1 1 A 31 31 ASN H H 31 9.470 9.360 0.110 1
1 225 . 13 1 1 A 31 31 ASN HA H 31 4.380 4.351 0.029 1
1 230 . 13 1 1 A 31 31 ASN N N 31 125.820 124.627 1.193 1
1 232 . 13 1 1 A 32 32 GLY H H 32 8.030 7.312 0.718 1
1 233 . 13 1 1 A 32 32 GLY HA2 H 32 4.150 3.998 0.152 1
1 234 . 13 1 1 A 32 32 GLY HA3 H 32 4.150 3.998 0.152 1
1 235 . 13 1 1 A 32 32 GLY N N 32 127.070 105.814 21.256 1
1 236 . 13 1 1 A 33 33 LYS H H 33 7.680 7.540 0.140 1
1 237 . 13 1 1 A 33 33 LYS HA H 33 5.220 5.333 -0.113 1
1 246 . 13 1 1 A 33 33 LYS N N 33 120.610 116.491 4.119 1
1 247 . 13 1 1 A 34 34 CYS H H 34 8.520 7.913 0.607 1
1 248 . 13 1 1 A 34 34 CYS HA H 34 5.080 5.455 -0.375 1
1 251 . 13 1 1 A 34 34 CYS N N 34 121.200 118.976 2.224 1
1 252 . 13 1 1 A 35 35 LYS H H 35 9.120 8.477 0.643 1
1 253 . 13 1 1 A 35 35 LYS HA H 35 4.710 4.554 0.156 1
1 261 . 13 1 1 A 35 35 LYS N N 35 124.350 121.791 2.559 1
1 262 . 13 1 1 A 36 36 CYS H H 36 8.650 8.526 0.124 1
1 263 . 13 1 1 A 36 36 CYS HA H 36 5.380 5.087 0.293 1
1 266 . 13 1 1 A 36 36 CYS N N 36 121.910 124.421 -2.511 1
1 267 . 13 1 1 A 37 37 TYR H H 37 8.290 8.411 -0.121 1
1 268 . 13 1 1 A 37 37 TYR HA H 37 4.590 4.857 -0.267 1
1 273 . 13 1 1 A 37 37 TYR N N 37 121.040 123.718 -2.678 1
1 274 . 13 1 1 A 38 38 PRO HA H 38 4.080 4.313 -0.233 1
1 8 . 14 1 1 A 2 2 ILE H H 2 8.140 8.603 -0.463 1
1 9 . 14 1 1 A 2 2 ILE HA H 2 4.410 4.641 -0.231 1
1 18 . 14 1 1 A 2 2 ILE N N 2 127.040 123.211 3.829 1
1 19 . 14 1 1 A 3 3 ILE H H 3 8.350 7.994 0.356 1
1 20 . 14 1 1 A 3 3 ILE HA H 3 4.460 4.736 -0.276 1
1 29 . 14 1 1 A 3 3 ILE N N 3 124.180 123.472 0.708 1
1 30 . 14 1 1 A 4 4 ASN H H 4 8.760 8.715 0.045 1
1 31 . 14 1 1 A 4 4 ASN HA H 4 4.770 4.844 -0.074 1
1 36 . 14 1 1 A 4 4 ASN N N 4 124.680 119.464 5.216 1
1 38 . 14 1 1 A 5 5 VAL H H 5 8.010 7.361 0.649 1
1 39 . 14 1 1 A 5 5 VAL HA H 5 4.140 4.700 -0.560 1
1 44 . 14 1 1 A 5 5 VAL N N 5 122.870 120.417 2.453 1
1 45 . 14 1 1 A 6 6 LYS H H 6 8.420 8.535 -0.115 1
1 46 . 14 1 1 A 6 6 LYS HA H 6 4.800 5.353 -0.553 1
1 55 . 14 1 1 A 6 6 LYS N N 6 127.220 121.725 5.495 1
1 56 . 14 1 1 A 7 7 CYS H H 7 8.050 8.868 -0.818 1
1 57 . 14 1 1 A 7 7 CYS HA H 7 5.010 5.007 0.003 1
1 60 . 14 1 1 A 7 7 CYS N N 7 116.620 116.937 -0.317 1
1 61 . 14 1 1 A 8 8 THR H H 8 9.320 8.498 0.822 1
1 62 . 14 1 1 A 8 8 THR HA H 8 4.420 4.521 -0.101 1
1 65 . 14 1 1 A 8 8 THR N N 8 109.290 113.003 -3.713 1
1 66 . 14 1 1 A 9 9 SER H H 9 8.150 7.479 0.671 1
1 67 . 14 1 1 A 9 9 SER HA H 9 5.170 4.882 0.288 1
1 70 . 14 1 1 A 9 9 SER N N 9 119.010 112.983 6.027 1
1 71 . 14 1 1 A 10 10 PRO HA H 10 3.970 4.395 -0.425 1
1 78 . 14 1 1 A 11 11 LYS H H 11 8.000 8.075 -0.075 1
1 79 . 14 1 1 A 11 11 LYS HA H 11 4.020 4.079 -0.059 1
1 88 . 14 1 1 A 11 11 LYS N N 11 117.940 118.682 -0.742 1
1 89 . 14 1 1 A 12 12 GLN H H 12 7.160 7.863 -0.703 1
1 90 . 14 1 1 A 12 12 GLN HA H 12 4.200 4.170 0.030 1
1 97 . 14 1 1 A 12 12 GLN N N 12 115.030 118.168 -3.138 1
1 99 . 14 1 1 A 13 13 CYS H H 13 7.460 7.793 -0.333 1
1 100 . 14 1 1 A 13 13 CYS HA H 13 4.650 4.582 0.068 1
1 103 . 14 1 1 A 13 13 CYS N N 13 113.890 116.989 -3.099 1
1 104 . 14 1 1 A 14 14 LEU H H 14 7.400 7.571 -0.171 1
1 105 . 14 1 1 A 14 14 LEU HA H 14 4.060 4.082 -0.022 1
1 115 . 14 1 1 A 14 14 LEU N N 14 121.670 122.107 -0.437 1
1 116 . 14 1 1 A 15 15 PRO HA H 15 4.500 4.261 0.239 1
1 123 . 14 1 1 A 16 16 PRO HA H 16 4.530 4.218 0.312 1
1 130 . 14 1 1 A 17 17 CYS H H 17 7.740 8.164 -0.424 1
1 131 . 14 1 1 A 17 17 CYS HA H 17 4.840 4.460 0.380 1
1 134 . 14 1 1 A 17 17 CYS N N 17 116.640 115.424 1.216 1
1 135 . 14 1 1 A 18 18 LYS H H 18 8.820 8.129 0.691 1
1 136 . 14 1 1 A 18 18 LYS HA H 18 4.620 4.246 0.374 1
1 144 . 14 1 1 A 18 18 LYS N N 18 122.450 121.808 0.642 1
1 145 . 14 1 1 A 19 19 ALA H H 19 8.020 7.680 0.340 1
1 146 . 14 1 1 A 19 19 ALA HA H 19 4.030 4.400 -0.370 1
1 150 . 14 1 1 A 19 19 ALA N N 19 122.720 121.194 1.526 1
1 151 . 14 1 1 A 20 20 GLN H H 20 7.310 8.335 -1.025 1
1 152 . 14 1 1 A 20 20 GLN HA H 20 4.080 4.467 -0.387 1
1 159 . 14 1 1 A 20 20 GLN N N 20 114.530 117.326 -2.796 1
1 161 . 14 1 1 A 21 21 PHE H H 21 8.310 8.156 0.154 1
1 162 . 14 1 1 A 21 21 PHE HA H 21 4.880 4.416 0.464 1
1 167 . 14 1 1 A 21 21 PHE N N 21 113.930 117.568 -3.638 1
1 168 . 14 1 1 A 22 22 GLY H H 22 7.950 7.624 0.326 1
1 169 . 14 1 1 A 22 22 GLY HA2 H 22 4.740 4.134 0.606 1
1 170 . 14 1 1 A 22 22 GLY HA3 H 22 3.930 4.148 -0.218 1
1 171 . 14 1 1 A 22 22 GLY N N 22 111.620 103.705 7.915 1
1 172 . 14 1 1 A 23 23 GLN H H 23 8.520 8.637 -0.117 1
1 173 . 14 1 1 A 23 23 GLN HA H 23 3.910 4.147 -0.237 1
1 180 . 14 1 1 A 23 23 GLN N N 23 116.170 120.142 -3.972 1
1 182 . 14 1 1 A 24 24 SER H H 24 8.350 7.835 0.515 1
1 183 . 14 1 1 A 24 24 SER HA H 24 4.510 4.447 0.063 1
1 186 . 14 1 1 A 24 24 SER N N 24 113.160 110.847 2.313 1
1 187 . 14 1 1 A 25 25 ALA H H 25 7.810 7.294 0.516 1
1 188 . 14 1 1 A 25 25 ALA HA H 25 4.230 4.039 0.191 1
1 192 . 14 1 1 A 25 25 ALA N N 25 124.730 125.611 -0.881 1
1 193 . 14 1 1 A 26 26 GLY H H 26 8.310 8.223 0.087 1
1 194 . 14 1 1 A 26 26 GLY HA2 H 26 4.570 4.246 0.324 1
1 195 . 14 1 1 A 26 26 GLY HA3 H 26 3.760 4.276 -0.516 1
1 196 . 14 1 1 A 26 26 GLY N N 26 107.850 111.500 -3.650 1
1 197 . 14 1 1 A 27 27 ALA H H 27 8.310 9.003 -0.693 1
1 198 . 14 1 1 A 27 27 ALA HA H 27 5.590 5.751 -0.161 1
1 202 . 14 1 1 A 27 27 ALA N N 27 119.550 125.813 -6.263 1
1 203 . 14 1 1 A 28 28 LYS H H 28 9.100 8.048 1.052 1
1 204 . 14 1 1 A 28 28 LYS HA H 28 4.460 4.932 -0.472 1
1 211 . 14 1 1 A 28 28 LYS N N 28 118.020 117.308 0.712 1
1 212 . 14 1 1 A 29 29 CYS H H 29 8.810 8.540 0.270 1
1 213 . 14 1 1 A 29 29 CYS HA H 29 5.010 5.684 -0.674 1
1 216 . 14 1 1 A 29 29 CYS N N 29 122.020 117.664 4.356 1
1 217 . 14 1 1 A 30 30 MET H H 30 8.960 8.368 0.592 1
1 218 . 14 1 1 A 30 30 MET HA H 30 4.810 4.809 0.001 1
1 223 . 14 1 1 A 30 30 MET N N 30 128.630 126.003 2.627 1
1 224 . 14 1 1 A 31 31 ASN H H 31 9.470 8.743 0.727 1
1 225 . 14 1 1 A 31 31 ASN HA H 31 4.380 4.471 -0.091 1
1 230 . 14 1 1 A 31 31 ASN N N 31 125.820 119.079 6.741 1
1 232 . 14 1 1 A 32 32 GLY H H 32 8.030 7.468 0.562 1
1 233 . 14 1 1 A 32 32 GLY HA2 H 32 4.150 4.115 0.035 1
1 234 . 14 1 1 A 32 32 GLY HA3 H 32 4.150 4.116 0.034 1
1 235 . 14 1 1 A 32 32 GLY N N 32 127.070 105.769 21.301 1
1 236 . 14 1 1 A 33 33 LYS H H 33 7.680 7.826 -0.146 1
1 237 . 14 1 1 A 33 33 LYS HA H 33 5.220 5.190 0.030 1
1 246 . 14 1 1 A 33 33 LYS N N 33 120.610 118.859 1.751 1
1 247 . 14 1 1 A 34 34 CYS H H 34 8.520 8.364 0.156 1
1 248 . 14 1 1 A 34 34 CYS HA H 34 5.080 5.627 -0.547 1
1 251 . 14 1 1 A 34 34 CYS N N 34 121.200 121.644 -0.444 1
1 252 . 14 1 1 A 35 35 LYS H H 35 9.120 8.507 0.613 1
1 253 . 14 1 1 A 35 35 LYS HA H 35 4.710 4.675 0.035 1
1 261 . 14 1 1 A 35 35 LYS N N 35 124.350 123.696 0.654 1
1 262 . 14 1 1 A 36 36 CYS H H 36 8.650 8.714 -0.064 1
1 263 . 14 1 1 A 36 36 CYS HA H 36 5.380 5.153 0.227 1
1 266 . 14 1 1 A 36 36 CYS N N 36 121.910 125.567 -3.657 1
1 267 . 14 1 1 A 37 37 TYR H H 37 8.290 8.417 -0.127 1
1 268 . 14 1 1 A 37 37 TYR HA H 37 4.590 4.911 -0.321 1
1 273 . 14 1 1 A 37 37 TYR N N 37 121.040 124.184 -3.144 1
1 274 . 14 1 1 A 38 38 PRO HA H 38 4.080 3.784 0.296 1
1 8 . 15 1 1 A 2 2 ILE H H 2 8.140 8.823 -0.683 1
1 9 . 15 1 1 A 2 2 ILE HA H 2 4.410 4.320 0.090 1
1 18 . 15 1 1 A 2 2 ILE N N 2 127.040 126.547 0.493 1
1 19 . 15 1 1 A 3 3 ILE H H 3 8.350 7.630 0.720 1
1 20 . 15 1 1 A 3 3 ILE HA H 3 4.460 4.435 0.025 1
1 29 . 15 1 1 A 3 3 ILE N N 3 124.180 121.982 2.198 1
1 30 . 15 1 1 A 4 4 ASN H H 4 8.760 8.775 -0.015 1
1 31 . 15 1 1 A 4 4 ASN HA H 4 4.770 5.063 -0.293 1
1 36 . 15 1 1 A 4 4 ASN N N 4 124.680 125.871 -1.191 1
1 38 . 15 1 1 A 5 5 VAL H H 5 8.010 8.089 -0.079 1
1 39 . 15 1 1 A 5 5 VAL HA H 5 4.140 4.630 -0.490 1
1 44 . 15 1 1 A 5 5 VAL N N 5 122.870 123.766 -0.896 1
1 45 . 15 1 1 A 6 6 LYS H H 6 8.420 8.359 0.061 1
1 46 . 15 1 1 A 6 6 LYS HA H 6 4.800 5.103 -0.303 1
1 55 . 15 1 1 A 6 6 LYS N N 6 127.220 123.008 4.212 1
1 56 . 15 1 1 A 7 7 CYS H H 7 8.050 8.753 -0.703 1
1 57 . 15 1 1 A 7 7 CYS HA H 7 5.010 5.038 -0.028 1
1 60 . 15 1 1 A 7 7 CYS N N 7 116.620 116.903 -0.283 1
1 61 . 15 1 1 A 8 8 THR H H 8 9.320 8.765 0.555 1
1 62 . 15 1 1 A 8 8 THR HA H 8 4.420 4.510 -0.090 1
1 65 . 15 1 1 A 8 8 THR N N 8 109.290 116.264 -6.974 1
1 66 . 15 1 1 A 9 9 SER H H 9 8.150 7.539 0.611 1
1 67 . 15 1 1 A 9 9 SER HA H 9 5.170 4.889 0.281 1
1 70 . 15 1 1 A 9 9 SER N N 9 119.010 111.929 7.081 1
1 71 . 15 1 1 A 10 10 PRO HA H 10 3.970 4.541 -0.571 1
1 78 . 15 1 1 A 11 11 LYS H H 11 8.000 8.200 -0.200 1
1 79 . 15 1 1 A 11 11 LYS HA H 11 4.020 4.075 -0.055 1
1 88 . 15 1 1 A 11 11 LYS N N 11 117.940 118.459 -0.519 1
1 89 . 15 1 1 A 12 12 GLN H H 12 7.160 7.818 -0.658 1
1 90 . 15 1 1 A 12 12 GLN HA H 12 4.200 4.211 -0.011 1
1 97 . 15 1 1 A 12 12 GLN N N 12 115.030 117.615 -2.585 1
1 99 . 15 1 1 A 13 13 CYS H H 13 7.460 7.741 -0.281 1
1 100 . 15 1 1 A 13 13 CYS HA H 13 4.650 4.602 0.048 1
1 103 . 15 1 1 A 13 13 CYS N N 13 113.890 117.109 -3.219 1
1 104 . 15 1 1 A 14 14 LEU H H 14 7.400 7.672 -0.272 1
1 105 . 15 1 1 A 14 14 LEU HA H 14 4.060 4.084 -0.024 1
1 115 . 15 1 1 A 14 14 LEU N N 14 121.670 122.523 -0.853 1
1 116 . 15 1 1 A 15 15 PRO HA H 15 4.500 4.267 0.233 1
1 123 . 15 1 1 A 16 16 PRO HA H 16 4.530 4.230 0.300 1
1 130 . 15 1 1 A 17 17 CYS H H 17 7.740 8.225 -0.485 1
1 131 . 15 1 1 A 17 17 CYS HA H 17 4.840 4.656 0.184 1
1 134 . 15 1 1 A 17 17 CYS N N 17 116.640 115.444 1.196 1
1 135 . 15 1 1 A 18 18 LYS H H 18 8.820 8.149 0.671 1
1 136 . 15 1 1 A 18 18 LYS HA H 18 4.620 4.732 -0.112 1
1 144 . 15 1 1 A 18 18 LYS N N 18 122.450 121.335 1.115 1
1 145 . 15 1 1 A 19 19 ALA H H 19 8.020 7.661 0.359 1
1 146 . 15 1 1 A 19 19 ALA HA H 19 4.030 4.408 -0.378 1
1 150 . 15 1 1 A 19 19 ALA N N 19 122.720 121.404 1.316 1
1 151 . 15 1 1 A 20 20 GLN H H 20 7.310 8.307 -0.997 1
1 152 . 15 1 1 A 20 20 GLN HA H 20 4.080 4.495 -0.415 1
1 159 . 15 1 1 A 20 20 GLN N N 20 114.530 117.381 -2.851 1
1 161 . 15 1 1 A 21 21 PHE H H 21 8.310 8.171 0.139 1
1 162 . 15 1 1 A 21 21 PHE HA H 21 4.880 4.456 0.424 1
1 167 . 15 1 1 A 21 21 PHE N N 21 113.930 116.671 -2.741 1
1 168 . 15 1 1 A 22 22 GLY H H 22 7.950 7.576 0.374 1
1 169 . 15 1 1 A 22 22 GLY HA2 H 22 4.740 4.160 0.580 1
1 170 . 15 1 1 A 22 22 GLY HA3 H 22 3.930 4.176 -0.246 1
1 171 . 15 1 1 A 22 22 GLY N N 22 111.620 104.384 7.236 1
1 172 . 15 1 1 A 23 23 GLN H H 23 8.520 8.601 -0.081 1
1 173 . 15 1 1 A 23 23 GLN HA H 23 3.910 4.436 -0.526 1
1 180 . 15 1 1 A 23 23 GLN N N 23 116.170 121.472 -5.302 1
1 182 . 15 1 1 A 24 24 SER H H 24 8.350 7.813 0.537 1
1 183 . 15 1 1 A 24 24 SER HA H 24 4.510 4.490 0.020 1
1 186 . 15 1 1 A 24 24 SER N N 24 113.160 111.541 1.619 1
1 187 . 15 1 1 A 25 25 ALA H H 25 7.810 7.426 0.384 1
1 188 . 15 1 1 A 25 25 ALA HA H 25 4.230 4.084 0.146 1
1 192 . 15 1 1 A 25 25 ALA N N 25 124.730 125.990 -1.260 1
1 193 . 15 1 1 A 26 26 GLY H H 26 8.310 8.566 -0.256 1
1 194 . 15 1 1 A 26 26 GLY HA2 H 26 4.570 4.141 0.429 1
1 195 . 15 1 1 A 26 26 GLY HA3 H 26 3.760 4.176 -0.416 1
1 196 . 15 1 1 A 26 26 GLY N N 26 107.850 111.631 -3.781 1
1 197 . 15 1 1 A 27 27 ALA H H 27 8.310 8.971 -0.661 1
1 198 . 15 1 1 A 27 27 ALA HA H 27 5.590 5.991 -0.401 1
1 202 . 15 1 1 A 27 27 ALA N N 27 119.550 125.849 -6.299 1
1 203 . 15 1 1 A 28 28 LYS H H 28 9.100 8.315 0.785 1
1 204 . 15 1 1 A 28 28 LYS HA H 28 4.460 4.934 -0.474 1
1 211 . 15 1 1 A 28 28 LYS N N 28 118.020 116.272 1.748 1
1 212 . 15 1 1 A 29 29 CYS H H 29 8.810 8.664 0.146 1
1 213 . 15 1 1 A 29 29 CYS HA H 29 5.010 5.540 -0.530 1
1 216 . 15 1 1 A 29 29 CYS N N 29 122.020 117.388 4.632 1
1 217 . 15 1 1 A 30 30 MET H H 30 8.960 8.344 0.616 1
1 218 . 15 1 1 A 30 30 MET HA H 30 4.810 4.784 0.026 1
1 223 . 15 1 1 A 30 30 MET N N 30 128.630 125.800 2.830 1
1 224 . 15 1 1 A 31 31 ASN H H 31 9.470 7.906 1.564 1
1 225 . 15 1 1 A 31 31 ASN HA H 31 4.380 4.979 -0.599 1
1 230 . 15 1 1 A 31 31 ASN N N 31 125.820 116.893 8.927 1
1 232 . 15 1 1 A 32 32 GLY H H 32 8.030 8.244 -0.214 1
1 233 . 15 1 1 A 32 32 GLY HA2 H 32 4.150 3.925 0.225 1
1 234 . 15 1 1 A 32 32 GLY HA3 H 32 4.150 3.926 0.224 1
1 235 . 15 1 1 A 32 32 GLY N N 32 127.070 108.714 18.356 1
1 236 . 15 1 1 A 33 33 LYS H H 33 7.680 7.765 -0.085 1
1 237 . 15 1 1 A 33 33 LYS HA H 33 5.220 5.268 -0.048 1
1 246 . 15 1 1 A 33 33 LYS N N 33 120.610 118.902 1.708 1
1 247 . 15 1 1 A 34 34 CYS H H 34 8.520 7.946 0.574 1
1 248 . 15 1 1 A 34 34 CYS HA H 34 5.080 5.590 -0.510 1
1 251 . 15 1 1 A 34 34 CYS N N 34 121.200 119.531 1.669 1
1 252 . 15 1 1 A 35 35 LYS H H 35 9.120 8.646 0.474 1
1 253 . 15 1 1 A 35 35 LYS HA H 35 4.710 4.678 0.032 1
1 261 . 15 1 1 A 35 35 LYS N N 35 124.350 121.840 2.510 1
1 262 . 15 1 1 A 36 36 CYS H H 36 8.650 8.637 0.013 1
1 263 . 15 1 1 A 36 36 CYS HA H 36 5.380 5.260 0.120 1
1 266 . 15 1 1 A 36 36 CYS N N 36 121.910 124.585 -2.675 1
1 267 . 15 1 1 A 37 37 TYR H H 37 8.290 8.585 -0.295 1
1 268 . 15 1 1 A 37 37 TYR HA H 37 4.590 4.916 -0.326 1
1 273 . 15 1 1 A 37 37 TYR N N 37 121.040 123.802 -2.762 1
1 274 . 15 1 1 A 38 38 PRO HA H 38 4.080 4.313 -0.233 1
1 8 . 16 1 1 A 2 2 ILE H H 2 8.140 7.811 0.329 1
1 9 . 16 1 1 A 2 2 ILE HA H 2 4.410 4.207 0.203 1
1 18 . 16 1 1 A 2 2 ILE N N 2 127.040 122.473 4.567 1
1 19 . 16 1 1 A 3 3 ILE H H 3 8.350 7.298 1.052 1
1 20 . 16 1 1 A 3 3 ILE HA H 3 4.460 4.373 0.087 1
1 29 . 16 1 1 A 3 3 ILE N N 3 124.180 119.259 4.921 1
1 30 . 16 1 1 A 4 4 ASN H H 4 8.760 8.779 -0.019 1
1 31 . 16 1 1 A 4 4 ASN HA H 4 4.770 4.777 -0.007 1
1 36 . 16 1 1 A 4 4 ASN N N 4 124.680 119.793 4.887 1
1 38 . 16 1 1 A 5 5 VAL H H 5 8.010 7.479 0.531 1
1 39 . 16 1 1 A 5 5 VAL HA H 5 4.140 4.676 -0.536 1
1 44 . 16 1 1 A 5 5 VAL N N 5 122.870 119.405 3.465 1
1 45 . 16 1 1 A 6 6 LYS H H 6 8.420 8.420 0.000 1
1 46 . 16 1 1 A 6 6 LYS HA H 6 4.800 5.362 -0.562 1
1 55 . 16 1 1 A 6 6 LYS N N 6 127.220 122.626 4.594 1
1 56 . 16 1 1 A 7 7 CYS H H 7 8.050 8.806 -0.756 1
1 57 . 16 1 1 A 7 7 CYS HA H 7 5.010 4.977 0.033 1
1 60 . 16 1 1 A 7 7 CYS N N 7 116.620 117.140 -0.520 1
1 61 . 16 1 1 A 8 8 THR H H 8 9.320 8.384 0.936 1
1 62 . 16 1 1 A 8 8 THR HA H 8 4.420 4.586 -0.166 1
1 65 . 16 1 1 A 8 8 THR N N 8 109.290 113.708 -4.418 1
1 66 . 16 1 1 A 9 9 SER H H 9 8.150 7.524 0.626 1
1 67 . 16 1 1 A 9 9 SER HA H 9 5.170 4.878 0.292 1
1 70 . 16 1 1 A 9 9 SER N N 9 119.010 112.669 6.341 1
1 71 . 16 1 1 A 10 10 PRO HA H 10 3.970 4.397 -0.427 1
1 78 . 16 1 1 A 11 11 LYS H H 11 8.000 8.015 -0.015 1
1 79 . 16 1 1 A 11 11 LYS HA H 11 4.020 4.058 -0.038 1
1 88 . 16 1 1 A 11 11 LYS N N 11 117.940 118.665 -0.725 1
1 89 . 16 1 1 A 12 12 GLN H H 12 7.160 7.873 -0.713 1
1 90 . 16 1 1 A 12 12 GLN HA H 12 4.200 4.161 0.039 1
1 97 . 16 1 1 A 12 12 GLN N N 12 115.030 117.672 -2.642 1
1 99 . 16 1 1 A 13 13 CYS H H 13 7.460 7.813 -0.353 1
1 100 . 16 1 1 A 13 13 CYS HA H 13 4.650 4.555 0.095 1
1 103 . 16 1 1 A 13 13 CYS N N 13 113.890 116.958 -3.068 1
1 104 . 16 1 1 A 14 14 LEU H H 14 7.400 7.430 -0.030 1
1 105 . 16 1 1 A 14 14 LEU HA H 14 4.060 3.966 0.094 1
1 115 . 16 1 1 A 14 14 LEU N N 14 121.670 122.103 -0.433 1
1 116 . 16 1 1 A 15 15 PRO HA H 15 4.500 4.216 0.284 1
1 123 . 16 1 1 A 16 16 PRO HA H 16 4.530 4.109 0.421 1
1 130 . 16 1 1 A 17 17 CYS H H 17 7.740 8.084 -0.344 1
1 131 . 16 1 1 A 17 17 CYS HA H 17 4.840 4.138 0.702 1
1 134 . 16 1 1 A 17 17 CYS N N 17 116.640 115.018 1.622 1
1 135 . 16 1 1 A 18 18 LYS H H 18 8.820 8.019 0.801 1
1 136 . 16 1 1 A 18 18 LYS HA H 18 4.620 4.315 0.305 1
1 144 . 16 1 1 A 18 18 LYS N N 18 122.450 121.638 0.812 1
1 145 . 16 1 1 A 19 19 ALA H H 19 8.020 7.521 0.499 1
1 146 . 16 1 1 A 19 19 ALA HA H 19 4.030 4.397 -0.367 1
1 150 . 16 1 1 A 19 19 ALA N N 19 122.720 121.006 1.714 1
1 151 . 16 1 1 A 20 20 GLN H H 20 7.310 8.156 -0.846 1
1 152 . 16 1 1 A 20 20 GLN HA H 20 4.080 4.367 -0.287 1
1 159 . 16 1 1 A 20 20 GLN N N 20 114.530 117.570 -3.040 1
1 161 . 16 1 1 A 21 21 PHE H H 21 8.310 7.764 0.546 1
1 162 . 16 1 1 A 21 21 PHE HA H 21 4.880 4.390 0.490 1
1 167 . 16 1 1 A 21 21 PHE N N 21 113.930 116.631 -2.701 1
1 168 . 16 1 1 A 22 22 GLY H H 22 7.950 7.414 0.536 1
1 169 . 16 1 1 A 22 22 GLY HA2 H 22 4.740 4.142 0.598 1
1 170 . 16 1 1 A 22 22 GLY HA3 H 22 3.930 4.172 -0.242 1
1 171 . 16 1 1 A 22 22 GLY N N 22 111.620 103.920 7.700 1
1 172 . 16 1 1 A 23 23 GLN H H 23 8.520 8.658 -0.138 1
1 173 . 16 1 1 A 23 23 GLN HA H 23 3.910 4.415 -0.505 1
1 180 . 16 1 1 A 23 23 GLN N N 23 116.170 121.676 -5.506 1
1 182 . 16 1 1 A 24 24 SER H H 24 8.350 7.798 0.552 1
1 183 . 16 1 1 A 24 24 SER HA H 24 4.510 4.608 -0.098 1
1 186 . 16 1 1 A 24 24 SER N N 24 113.160 111.316 1.844 1
1 187 . 16 1 1 A 25 25 ALA H H 25 7.810 7.509 0.301 1
1 188 . 16 1 1 A 25 25 ALA HA H 25 4.230 4.435 -0.205 1
1 192 . 16 1 1 A 25 25 ALA N N 25 124.730 125.887 -1.157 1
1 193 . 16 1 1 A 26 26 GLY H H 26 8.310 8.406 -0.096 1
1 194 . 16 1 1 A 26 26 GLY HA2 H 26 4.570 4.224 0.346 1
1 195 . 16 1 1 A 26 26 GLY HA3 H 26 3.760 4.228 -0.468 1
1 196 . 16 1 1 A 26 26 GLY N N 26 107.850 111.943 -4.093 1
1 197 . 16 1 1 A 27 27 ALA H H 27 8.310 9.012 -0.702 1
1 198 . 16 1 1 A 27 27 ALA HA H 27 5.590 5.970 -0.380 1
1 202 . 16 1 1 A 27 27 ALA N N 27 119.550 126.013 -6.463 1
1 203 . 16 1 1 A 28 28 LYS H H 28 9.100 8.201 0.899 1
1 204 . 16 1 1 A 28 28 LYS HA H 28 4.460 4.914 -0.454 1
1 211 . 16 1 1 A 28 28 LYS N N 28 118.020 116.125 1.895 1
1 212 . 16 1 1 A 29 29 CYS H H 29 8.810 8.642 0.168 1
1 213 . 16 1 1 A 29 29 CYS HA H 29 5.010 5.706 -0.696 1
1 216 . 16 1 1 A 29 29 CYS N N 29 122.020 117.341 4.679 1
1 217 . 16 1 1 A 30 30 MET H H 30 8.960 8.270 0.690 1
1 218 . 16 1 1 A 30 30 MET HA H 30 4.810 4.529 0.281 1
1 223 . 16 1 1 A 30 30 MET N N 30 128.630 125.316 3.314 1
1 224 . 16 1 1 A 31 31 ASN H H 31 9.470 7.992 1.478 1
1 225 . 16 1 1 A 31 31 ASN HA H 31 4.380 4.675 -0.295 1
1 230 . 16 1 1 A 31 31 ASN N N 31 125.820 117.897 7.923 1
1 232 . 16 1 1 A 32 32 GLY H H 32 8.030 8.180 -0.150 1
1 233 . 16 1 1 A 32 32 GLY HA2 H 32 4.150 3.957 0.193 1
1 234 . 16 1 1 A 32 32 GLY HA3 H 32 4.150 3.958 0.192 1
1 235 . 16 1 1 A 32 32 GLY N N 32 127.070 110.107 16.963 1
1 236 . 16 1 1 A 33 33 LYS H H 33 7.680 7.732 -0.052 1
1 237 . 16 1 1 A 33 33 LYS HA H 33 5.220 5.137 0.083 1
1 246 . 16 1 1 A 33 33 LYS N N 33 120.610 118.281 2.329 1
1 247 . 16 1 1 A 34 34 CYS H H 34 8.520 8.329 0.191 1
1 248 . 16 1 1 A 34 34 CYS HA H 34 5.080 5.688 -0.608 1
1 251 . 16 1 1 A 34 34 CYS N N 34 121.200 121.633 -0.433 1
1 252 . 16 1 1 A 35 35 LYS H H 35 9.120 8.676 0.444 1
1 253 . 16 1 1 A 35 35 LYS HA H 35 4.710 4.894 -0.184 1
1 261 . 16 1 1 A 35 35 LYS N N 35 124.350 122.452 1.898 1
1 262 . 16 1 1 A 36 36 CYS H H 36 8.650 8.909 -0.259 1
1 263 . 16 1 1 A 36 36 CYS HA H 36 5.380 5.388 -0.008 1
1 266 . 16 1 1 A 36 36 CYS N N 36 121.910 122.147 -0.237 1
1 267 . 16 1 1 A 37 37 TYR H H 37 8.290 8.835 -0.545 1
1 268 . 16 1 1 A 37 37 TYR HA H 37 4.590 5.098 -0.508 1
1 273 . 16 1 1 A 37 37 TYR N N 37 121.040 124.017 -2.977 1
1 274 . 16 1 1 A 38 38 PRO HA H 38 4.080 4.502 -0.422 1
1 8 . 17 1 1 A 2 2 ILE H H 2 8.140 8.332 -0.192 1
1 9 . 17 1 1 A 2 2 ILE HA H 2 4.410 4.154 0.256 1
1 18 . 17 1 1 A 2 2 ILE N N 2 127.040 122.947 4.093 1
1 19 . 17 1 1 A 3 3 ILE H H 3 8.350 7.459 0.891 1
1 20 . 17 1 1 A 3 3 ILE HA H 3 4.460 4.635 -0.175 1
1 29 . 17 1 1 A 3 3 ILE N N 3 124.180 121.583 2.597 1
1 30 . 17 1 1 A 4 4 ASN H H 4 8.760 8.611 0.149 1
1 31 . 17 1 1 A 4 4 ASN HA H 4 4.770 5.020 -0.250 1
1 36 . 17 1 1 A 4 4 ASN N N 4 124.680 124.175 0.505 1
1 38 . 17 1 1 A 5 5 VAL H H 5 8.010 8.020 -0.010 1
1 39 . 17 1 1 A 5 5 VAL HA H 5 4.140 4.690 -0.550 1
1 44 . 17 1 1 A 5 5 VAL N N 5 122.870 121.409 1.461 1
1 45 . 17 1 1 A 6 6 LYS H H 6 8.420 8.457 -0.037 1
1 46 . 17 1 1 A 6 6 LYS HA H 6 4.800 5.196 -0.396 1
1 55 . 17 1 1 A 6 6 LYS N N 6 127.220 122.409 4.811 1
1 56 . 17 1 1 A 7 7 CYS H H 7 8.050 8.765 -0.715 1
1 57 . 17 1 1 A 7 7 CYS HA H 7 5.010 5.019 -0.009 1
1 60 . 17 1 1 A 7 7 CYS N N 7 116.620 116.777 -0.157 1
1 61 . 17 1 1 A 8 8 THR H H 8 9.320 8.456 0.864 1
1 62 . 17 1 1 A 8 8 THR HA H 8 4.420 4.547 -0.127 1
1 65 . 17 1 1 A 8 8 THR N N 8 109.290 112.819 -3.529 1
1 66 . 17 1 1 A 9 9 SER H H 9 8.150 7.478 0.672 1
1 67 . 17 1 1 A 9 9 SER HA H 9 5.170 4.889 0.281 1
1 70 . 17 1 1 A 9 9 SER N N 9 119.010 112.909 6.101 1
1 71 . 17 1 1 A 10 10 PRO HA H 10 3.970 4.427 -0.457 1
1 78 . 17 1 1 A 11 11 LYS H H 11 8.000 8.083 -0.083 1
1 79 . 17 1 1 A 11 11 LYS HA H 11 4.020 4.093 -0.073 1
1 88 . 17 1 1 A 11 11 LYS N N 11 117.940 118.209 -0.269 1
1 89 . 17 1 1 A 12 12 GLN H H 12 7.160 7.796 -0.636 1
1 90 . 17 1 1 A 12 12 GLN HA H 12 4.200 4.183 0.017 1
1 97 . 17 1 1 A 12 12 GLN N N 12 115.030 116.851 -1.821 1
1 99 . 17 1 1 A 13 13 CYS H H 13 7.460 7.810 -0.350 1
1 100 . 17 1 1 A 13 13 CYS HA H 13 4.650 4.551 0.099 1
1 103 . 17 1 1 A 13 13 CYS N N 13 113.890 116.964 -3.074 1
1 104 . 17 1 1 A 14 14 LEU H H 14 7.400 7.917 -0.517 1
1 105 . 17 1 1 A 14 14 LEU HA H 14 4.060 3.968 0.092 1
1 115 . 17 1 1 A 14 14 LEU N N 14 121.670 122.048 -0.378 1
1 116 . 17 1 1 A 15 15 PRO HA H 15 4.500 4.206 0.294 1
1 123 . 17 1 1 A 16 16 PRO HA H 16 4.530 4.098 0.432 1
1 130 . 17 1 1 A 17 17 CYS H H 17 7.740 7.965 -0.225 1
1 131 . 17 1 1 A 17 17 CYS HA H 17 4.840 4.066 0.774 1
1 134 . 17 1 1 A 17 17 CYS N N 17 116.640 115.020 1.620 1
1 135 . 17 1 1 A 18 18 LYS H H 18 8.820 7.869 0.951 1
1 136 . 17 1 1 A 18 18 LYS HA H 18 4.620 4.080 0.540 1
1 144 . 17 1 1 A 18 18 LYS N N 18 122.450 121.621 0.829 1
1 145 . 17 1 1 A 19 19 ALA H H 19 8.020 7.551 0.469 1
1 146 . 17 1 1 A 19 19 ALA HA H 19 4.030 4.266 -0.236 1
1 150 . 17 1 1 A 19 19 ALA N N 19 122.720 121.036 1.684 1
1 151 . 17 1 1 A 20 20 GLN H H 20 7.310 8.089 -0.779 1
1 152 . 17 1 1 A 20 20 GLN HA H 20 4.080 4.645 -0.565 1
1 159 . 17 1 1 A 20 20 GLN N N 20 114.530 117.350 -2.820 1
1 161 . 17 1 1 A 21 21 PHE H H 21 8.310 7.208 1.102 1
1 162 . 17 1 1 A 21 21 PHE HA H 21 4.880 4.363 0.517 1
1 167 . 17 1 1 A 21 21 PHE N N 21 113.930 117.874 -3.944 1
1 168 . 17 1 1 A 22 22 GLY H H 22 7.950 7.372 0.578 1
1 169 . 17 1 1 A 22 22 GLY HA2 H 22 4.740 4.104 0.636 1
1 170 . 17 1 1 A 22 22 GLY HA3 H 22 3.930 4.115 -0.185 1
1 171 . 17 1 1 A 22 22 GLY N N 22 111.620 103.687 7.933 1
1 172 . 17 1 1 A 23 23 GLN H H 23 8.520 8.564 -0.044 1
1 173 . 17 1 1 A 23 23 GLN HA H 23 3.910 4.084 -0.174 1
1 180 . 17 1 1 A 23 23 GLN N N 23 116.170 119.908 -3.738 1
1 182 . 17 1 1 A 24 24 SER H H 24 8.350 7.738 0.612 1
1 183 . 17 1 1 A 24 24 SER HA H 24 4.510 4.397 0.113 1
1 186 . 17 1 1 A 24 24 SER N N 24 113.160 110.704 2.456 1
1 187 . 17 1 1 A 25 25 ALA H H 25 7.810 7.205 0.605 1
1 188 . 17 1 1 A 25 25 ALA HA H 25 4.230 4.366 -0.136 1
1 192 . 17 1 1 A 25 25 ALA N N 25 124.730 125.435 -0.705 1
1 193 . 17 1 1 A 26 26 GLY H H 26 8.310 8.461 -0.151 1
1 194 . 17 1 1 A 26 26 GLY HA2 H 26 4.570 4.278 0.292 1
1 195 . 17 1 1 A 26 26 GLY HA3 H 26 3.760 4.313 -0.553 1
1 196 . 17 1 1 A 26 26 GLY N N 26 107.850 111.935 -4.085 1
1 197 . 17 1 1 A 27 27 ALA H H 27 8.310 9.047 -0.737 1
1 198 . 17 1 1 A 27 27 ALA HA H 27 5.590 5.927 -0.337 1
1 202 . 17 1 1 A 27 27 ALA N N 27 119.550 126.149 -6.599 1
1 203 . 17 1 1 A 28 28 LYS H H 28 9.100 8.299 0.801 1
1 204 . 17 1 1 A 28 28 LYS HA H 28 4.460 4.959 -0.499 1
1 211 . 17 1 1 A 28 28 LYS N N 28 118.020 117.335 0.685 1
1 212 . 17 1 1 A 29 29 CYS H H 29 8.810 8.604 0.206 1
1 213 . 17 1 1 A 29 29 CYS HA H 29 5.010 5.707 -0.697 1
1 216 . 17 1 1 A 29 29 CYS N N 29 122.020 117.682 4.338 1
1 217 . 17 1 1 A 30 30 MET H H 30 8.960 8.428 0.532 1
1 218 . 17 1 1 A 30 30 MET HA H 30 4.810 4.818 -0.008 1
1 223 . 17 1 1 A 30 30 MET N N 30 128.630 125.720 2.910 1
1 224 . 17 1 1 A 31 31 ASN H H 31 9.470 8.611 0.859 1
1 225 . 17 1 1 A 31 31 ASN HA H 31 4.380 4.528 -0.148 1
1 230 . 17 1 1 A 31 31 ASN N N 31 125.820 120.102 5.718 1
1 232 . 17 1 1 A 32 32 GLY H H 32 8.030 7.447 0.583 1
1 233 . 17 1 1 A 32 32 GLY HA2 H 32 4.150 4.129 0.021 1
1 234 . 17 1 1 A 32 32 GLY HA3 H 32 4.150 4.130 0.020 1
1 235 . 17 1 1 A 32 32 GLY N N 32 127.070 105.991 21.079 1
1 236 . 17 1 1 A 33 33 LYS H H 33 7.680 7.833 -0.153 1
1 237 . 17 1 1 A 33 33 LYS HA H 33 5.220 5.081 0.139 1
1 246 . 17 1 1 A 33 33 LYS N N 33 120.610 118.863 1.747 1
1 247 . 17 1 1 A 34 34 CYS H H 34 8.520 8.543 -0.023 1
1 248 . 17 1 1 A 34 34 CYS HA H 34 5.080 5.433 -0.353 1
1 251 . 17 1 1 A 34 34 CYS N N 34 121.200 121.254 -0.054 1
1 252 . 17 1 1 A 35 35 LYS H H 35 9.120 8.333 0.787 1
1 253 . 17 1 1 A 35 35 LYS HA H 35 4.710 4.840 -0.130 1
1 261 . 17 1 1 A 35 35 LYS N N 35 124.350 121.155 3.195 1
1 262 . 17 1 1 A 36 36 CYS H H 36 8.650 8.785 -0.135 1
1 263 . 17 1 1 A 36 36 CYS HA H 36 5.380 5.356 0.024 1
1 266 . 17 1 1 A 36 36 CYS N N 36 121.910 121.927 -0.017 1
1 267 . 17 1 1 A 37 37 TYR H H 37 8.290 8.790 -0.500 1
1 268 . 17 1 1 A 37 37 TYR HA H 37 4.590 5.174 -0.584 1
1 273 . 17 1 1 A 37 37 TYR N N 37 121.040 123.493 -2.453 1
1 274 . 17 1 1 A 38 38 PRO HA H 38 4.080 4.494 -0.414 1
1 8 . 18 1 1 A 2 2 ILE H H 2 8.140 8.622 -0.482 1
1 9 . 18 1 1 A 2 2 ILE HA H 2 4.410 4.581 -0.171 1
1 18 . 18 1 1 A 2 2 ILE N N 2 127.040 123.343 3.697 1
1 19 . 18 1 1 A 3 3 ILE H H 3 8.350 8.171 0.179 1
1 20 . 18 1 1 A 3 3 ILE HA H 3 4.460 4.773 -0.313 1
1 29 . 18 1 1 A 3 3 ILE N N 3 124.180 123.100 1.080 1
1 30 . 18 1 1 A 4 4 ASN H H 4 8.760 8.669 0.091 1
1 31 . 18 1 1 A 4 4 ASN HA H 4 4.770 4.912 -0.142 1
1 36 . 18 1 1 A 4 4 ASN N N 4 124.680 121.459 3.221 1
1 38 . 18 1 1 A 5 5 VAL H H 5 8.010 7.448 0.562 1
1 39 . 18 1 1 A 5 5 VAL HA H 5 4.140 4.677 -0.537 1
1 44 . 18 1 1 A 5 5 VAL N N 5 122.870 121.762 1.108 1
1 45 . 18 1 1 A 6 6 LYS H H 6 8.420 8.477 -0.057 1
1 46 . 18 1 1 A 6 6 LYS HA H 6 4.800 5.418 -0.618 1
1 55 . 18 1 1 A 6 6 LYS N N 6 127.220 123.987 3.233 1
1 56 . 18 1 1 A 7 7 CYS H H 7 8.050 8.773 -0.723 1
1 57 . 18 1 1 A 7 7 CYS HA H 7 5.010 5.009 0.001 1
1 60 . 18 1 1 A 7 7 CYS N N 7 116.620 117.835 -1.215 1
1 61 . 18 1 1 A 8 8 THR H H 8 9.320 8.460 0.860 1
1 62 . 18 1 1 A 8 8 THR HA H 8 4.420 4.591 -0.171 1
1 65 . 18 1 1 A 8 8 THR N N 8 109.290 112.828 -3.538 1
1 66 . 18 1 1 A 9 9 SER H H 9 8.150 7.474 0.676 1
1 67 . 18 1 1 A 9 9 SER HA H 9 5.170 4.872 0.298 1
1 70 . 18 1 1 A 9 9 SER N N 9 119.010 112.973 6.037 1
1 71 . 18 1 1 A 10 10 PRO HA H 10 3.970 4.391 -0.421 1
1 78 . 18 1 1 A 11 11 LYS H H 11 8.000 8.074 -0.074 1
1 79 . 18 1 1 A 11 11 LYS HA H 11 4.020 4.065 -0.045 1
1 88 . 18 1 1 A 11 11 LYS N N 11 117.940 118.668 -0.728 1
1 89 . 18 1 1 A 12 12 GLN H H 12 7.160 7.863 -0.703 1
1 90 . 18 1 1 A 12 12 GLN HA H 12 4.200 4.153 0.047 1
1 97 . 18 1 1 A 12 12 GLN N N 12 115.030 118.167 -3.137 1
1 99 . 18 1 1 A 13 13 CYS H H 13 7.460 7.772 -0.312 1
1 100 . 18 1 1 A 13 13 CYS HA H 13 4.650 4.574 0.076 1
1 103 . 18 1 1 A 13 13 CYS N N 13 113.890 116.961 -3.071 1
1 104 . 18 1 1 A 14 14 LEU H H 14 7.400 7.565 -0.165 1
1 105 . 18 1 1 A 14 14 LEU HA H 14 4.060 4.003 0.057 1
1 115 . 18 1 1 A 14 14 LEU N N 14 121.670 122.006 -0.336 1
1 116 . 18 1 1 A 15 15 PRO HA H 15 4.500 4.219 0.281 1
1 123 . 18 1 1 A 16 16 PRO HA H 16 4.530 4.106 0.424 1
1 130 . 18 1 1 A 17 17 CYS H H 17 7.740 8.016 -0.276 1
1 131 . 18 1 1 A 17 17 CYS HA H 17 4.840 4.129 0.711 1
1 134 . 18 1 1 A 17 17 CYS N N 17 116.640 115.008 1.632 1
1 135 . 18 1 1 A 18 18 LYS H H 18 8.820 8.005 0.815 1
1 136 . 18 1 1 A 18 18 LYS HA H 18 4.620 4.341 0.279 1
1 144 . 18 1 1 A 18 18 LYS N N 18 122.450 121.626 0.824 1
1 145 . 18 1 1 A 19 19 ALA H H 19 8.020 7.417 0.603 1
1 146 . 18 1 1 A 19 19 ALA HA H 19 4.030 4.257 -0.227 1
1 150 . 18 1 1 A 19 19 ALA N N 19 122.720 121.347 1.373 1
1 151 . 18 1 1 A 20 20 GLN H H 20 7.310 7.765 -0.455 1
1 152 . 18 1 1 A 20 20 GLN HA H 20 4.080 4.216 -0.136 1
1 159 . 18 1 1 A 20 20 GLN N N 20 114.530 117.532 -3.002 1
1 161 . 18 1 1 A 21 21 PHE H H 21 8.310 7.752 0.558 1
1 162 . 18 1 1 A 21 21 PHE HA H 21 4.880 4.325 0.555 1
1 167 . 18 1 1 A 21 21 PHE N N 21 113.930 117.297 -3.367 1
1 168 . 18 1 1 A 22 22 GLY H H 22 7.950 7.527 0.423 1
1 169 . 18 1 1 A 22 22 GLY HA2 H 22 4.740 4.181 0.559 1
1 170 . 18 1 1 A 22 22 GLY HA3 H 22 3.930 4.255 -0.325 1
1 171 . 18 1 1 A 22 22 GLY N N 22 111.620 103.749 7.871 1
1 172 . 18 1 1 A 23 23 GLN H H 23 8.520 8.720 -0.200 1
1 173 . 18 1 1 A 23 23 GLN HA H 23 3.910 4.434 -0.524 1
1 180 . 18 1 1 A 23 23 GLN N N 23 116.170 121.319 -5.149 1
1 182 . 18 1 1 A 24 24 SER H H 24 8.350 7.859 0.491 1
1 183 . 18 1 1 A 24 24 SER HA H 24 4.510 4.637 -0.127 1
1 186 . 18 1 1 A 24 24 SER N N 24 113.160 111.344 1.816 1
1 187 . 18 1 1 A 25 25 ALA H H 25 7.810 7.592 0.218 1
1 188 . 18 1 1 A 25 25 ALA HA H 25 4.230 4.553 -0.323 1
1 192 . 18 1 1 A 25 25 ALA N N 25 124.730 125.964 -1.234 1
1 193 . 18 1 1 A 26 26 GLY H H 26 8.310 8.600 -0.290 1
1 194 . 18 1 1 A 26 26 GLY HA2 H 26 4.570 4.250 0.320 1
1 195 . 18 1 1 A 26 26 GLY HA3 H 26 3.760 4.300 -0.540 1
1 196 . 18 1 1 A 26 26 GLY N N 26 107.850 112.042 -4.192 1
1 197 . 18 1 1 A 27 27 ALA H H 27 8.310 8.948 -0.638 1
1 198 . 18 1 1 A 27 27 ALA HA H 27 5.590 5.886 -0.296 1
1 202 . 18 1 1 A 27 27 ALA N N 27 119.550 125.981 -6.431 1
1 203 . 18 1 1 A 28 28 LYS H H 28 9.100 8.061 1.039 1
1 204 . 18 1 1 A 28 28 LYS HA H 28 4.460 4.872 -0.412 1
1 211 . 18 1 1 A 28 28 LYS N N 28 118.020 116.217 1.803 1
1 212 . 18 1 1 A 29 29 CYS H H 29 8.810 8.565 0.245 1
1 213 . 18 1 1 A 29 29 CYS HA H 29 5.010 5.690 -0.680 1
1 216 . 18 1 1 A 29 29 CYS N N 29 122.020 117.422 4.598 1
1 217 . 18 1 1 A 30 30 MET H H 30 8.960 8.467 0.493 1
1 218 . 18 1 1 A 30 30 MET HA H 30 4.810 4.847 -0.037 1
1 223 . 18 1 1 A 30 30 MET N N 30 128.630 125.389 3.241 1
1 224 . 18 1 1 A 31 31 ASN H H 31 9.470 8.612 0.858 1
1 225 . 18 1 1 A 31 31 ASN HA H 31 4.380 4.509 -0.129 1
1 230 . 18 1 1 A 31 31 ASN N N 31 125.820 119.732 6.088 1
1 232 . 18 1 1 A 32 32 GLY H H 32 8.030 7.531 0.499 1
1 233 . 18 1 1 A 32 32 GLY HA2 H 32 4.150 4.079 0.071 1
1 234 . 18 1 1 A 32 32 GLY HA3 H 32 4.150 4.079 0.071 1
1 235 . 18 1 1 A 32 32 GLY N N 32 127.070 105.826 21.244 1
1 236 . 18 1 1 A 33 33 LYS H H 33 7.680 7.812 -0.132 1
1 237 . 18 1 1 A 33 33 LYS HA H 33 5.220 5.109 0.111 1
1 246 . 18 1 1 A 33 33 LYS N N 33 120.610 118.935 1.675 1
1 247 . 18 1 1 A 34 34 CYS H H 34 8.520 8.200 0.320 1
1 248 . 18 1 1 A 34 34 CYS HA H 34 5.080 5.497 -0.417 1
1 251 . 18 1 1 A 34 34 CYS N N 34 121.200 119.911 1.289 1
1 252 . 18 1 1 A 35 35 LYS H H 35 9.120 8.575 0.545 1
1 253 . 18 1 1 A 35 35 LYS HA H 35 4.710 4.779 -0.069 1
1 261 . 18 1 1 A 35 35 LYS N N 35 124.350 121.956 2.394 1
1 262 . 18 1 1 A 36 36 CYS H H 36 8.650 8.734 -0.084 1
1 263 . 18 1 1 A 36 36 CYS HA H 36 5.380 5.254 0.126 1
1 266 . 18 1 1 A 36 36 CYS N N 36 121.910 122.147 -0.237 1
1 267 . 18 1 1 A 37 37 TYR H H 37 8.290 8.825 -0.535 1
1 268 . 18 1 1 A 37 37 TYR HA H 37 4.590 5.055 -0.465 1
1 273 . 18 1 1 A 37 37 TYR N N 37 121.040 125.098 -4.058 1
1 274 . 18 1 1 A 38 38 PRO HA H 38 4.080 3.987 0.093 1
1 8 . 19 1 1 A 2 2 ILE H H 2 8.140 9.026 -0.886 1
1 9 . 19 1 1 A 2 2 ILE HA H 2 4.410 4.141 0.269 1
1 18 . 19 1 1 A 2 2 ILE N N 2 127.040 127.027 0.013 1
1 19 . 19 1 1 A 3 3 ILE H H 3 8.350 7.487 0.863 1
1 20 . 19 1 1 A 3 3 ILE HA H 3 4.460 4.644 -0.184 1
1 29 . 19 1 1 A 3 3 ILE N N 3 124.180 121.372 2.808 1
1 30 . 19 1 1 A 4 4 ASN H H 4 8.760 8.773 -0.013 1
1 31 . 19 1 1 A 4 4 ASN HA H 4 4.770 5.159 -0.389 1
1 36 . 19 1 1 A 4 4 ASN N N 4 124.680 124.868 -0.188 1
1 38 . 19 1 1 A 5 5 VAL H H 5 8.010 8.039 -0.029 1
1 39 . 19 1 1 A 5 5 VAL HA H 5 4.140 4.629 -0.489 1
1 44 . 19 1 1 A 5 5 VAL N N 5 122.870 123.846 -0.976 1
1 45 . 19 1 1 A 6 6 LYS H H 6 8.420 8.417 0.003 1
1 46 . 19 1 1 A 6 6 LYS HA H 6 4.800 5.198 -0.398 1
1 55 . 19 1 1 A 6 6 LYS N N 6 127.220 125.041 2.179 1
1 56 . 19 1 1 A 7 7 CYS H H 7 8.050 8.743 -0.693 1
1 57 . 19 1 1 A 7 7 CYS HA H 7 5.010 5.018 -0.008 1
1 60 . 19 1 1 A 7 7 CYS N N 7 116.620 117.895 -1.275 1
1 61 . 19 1 1 A 8 8 THR H H 8 9.320 8.748 0.572 1
1 62 . 19 1 1 A 8 8 THR HA H 8 4.420 4.471 -0.051 1
1 65 . 19 1 1 A 8 8 THR N N 8 109.290 116.097 -6.807 1
1 66 . 19 1 1 A 9 9 SER H H 9 8.150 7.609 0.541 1
1 67 . 19 1 1 A 9 9 SER HA H 9 5.170 4.871 0.299 1
1 70 . 19 1 1 A 9 9 SER N N 9 119.010 111.832 7.178 1
1 71 . 19 1 1 A 10 10 PRO HA H 10 3.970 4.382 -0.412 1
1 78 . 19 1 1 A 11 11 LYS H H 11 8.000 8.143 -0.143 1
1 79 . 19 1 1 A 11 11 LYS HA H 11 4.020 4.068 -0.048 1
1 88 . 19 1 1 A 11 11 LYS N N 11 117.940 118.698 -0.758 1
1 89 . 19 1 1 A 12 12 GLN H H 12 7.160 7.805 -0.645 1
1 90 . 19 1 1 A 12 12 GLN HA H 12 4.200 4.198 0.002 1
1 97 . 19 1 1 A 12 12 GLN N N 12 115.030 117.831 -2.801 1
1 99 . 19 1 1 A 13 13 CYS H H 13 7.460 7.644 -0.184 1
1 100 . 19 1 1 A 13 13 CYS HA H 13 4.650 4.609 0.041 1
1 103 . 19 1 1 A 13 13 CYS N N 13 113.890 117.026 -3.136 1
1 104 . 19 1 1 A 14 14 LEU H H 14 7.400 7.599 -0.199 1
1 105 . 19 1 1 A 14 14 LEU HA H 14 4.060 4.021 0.039 1
1 115 . 19 1 1 A 14 14 LEU N N 14 121.670 122.082 -0.412 1
1 116 . 19 1 1 A 15 15 PRO HA H 15 4.500 4.263 0.237 1
1 123 . 19 1 1 A 16 16 PRO HA H 16 4.530 4.207 0.323 1
1 130 . 19 1 1 A 17 17 CYS H H 17 7.740 8.210 -0.470 1
1 131 . 19 1 1 A 17 17 CYS HA H 17 4.840 4.595 0.245 1
1 134 . 19 1 1 A 17 17 CYS N N 17 116.640 115.418 1.222 1
1 135 . 19 1 1 A 18 18 LYS H H 18 8.820 8.149 0.671 1
1 136 . 19 1 1 A 18 18 LYS HA H 18 4.620 4.580 0.040 1
1 144 . 19 1 1 A 18 18 LYS N N 18 122.450 121.673 0.777 1
1 145 . 19 1 1 A 19 19 ALA H H 19 8.020 7.559 0.461 1
1 146 . 19 1 1 A 19 19 ALA HA H 19 4.030 4.404 -0.374 1
1 150 . 19 1 1 A 19 19 ALA N N 19 122.720 121.420 1.300 1
1 151 . 19 1 1 A 20 20 GLN H H 20 7.310 8.262 -0.952 1
1 152 . 19 1 1 A 20 20 GLN HA H 20 4.080 4.428 -0.348 1
1 159 . 19 1 1 A 20 20 GLN N N 20 114.530 117.149 -2.619 1
1 161 . 19 1 1 A 21 21 PHE H H 21 8.310 8.184 0.126 1
1 162 . 19 1 1 A 21 21 PHE HA H 21 4.880 4.378 0.502 1
1 167 . 19 1 1 A 21 21 PHE N N 21 113.930 117.504 -3.574 1
1 168 . 19 1 1 A 22 22 GLY H H 22 7.950 7.580 0.370 1
1 169 . 19 1 1 A 22 22 GLY HA2 H 22 4.740 4.169 0.571 1
1 170 . 19 1 1 A 22 22 GLY HA3 H 22 3.930 4.186 -0.256 1
1 171 . 19 1 1 A 22 22 GLY N N 22 111.620 103.747 7.873 1
1 172 . 19 1 1 A 23 23 GLN H H 23 8.520 8.719 -0.199 1
1 173 . 19 1 1 A 23 23 GLN HA H 23 3.910 4.414 -0.504 1
1 180 . 19 1 1 A 23 23 GLN N N 23 116.170 121.076 -4.906 1
1 182 . 19 1 1 A 24 24 SER H H 24 8.350 7.845 0.505 1
1 183 . 19 1 1 A 24 24 SER HA H 24 4.510 4.590 -0.080 1
1 186 . 19 1 1 A 24 24 SER N N 24 113.160 111.293 1.867 1
1 187 . 19 1 1 A 25 25 ALA H H 25 7.810 7.427 0.383 1
1 188 . 19 1 1 A 25 25 ALA HA H 25 4.230 4.040 0.190 1
1 192 . 19 1 1 A 25 25 ALA N N 25 124.730 125.897 -1.167 1
1 193 . 19 1 1 A 26 26 GLY H H 26 8.310 8.345 -0.035 1
1 194 . 19 1 1 A 26 26 GLY HA2 H 26 4.570 4.077 0.493 1
1 195 . 19 1 1 A 26 26 GLY HA3 H 26 3.760 4.082 -0.322 1
1 196 . 19 1 1 A 26 26 GLY N N 26 107.850 111.494 -3.644 1
1 197 . 19 1 1 A 27 27 ALA H H 27 8.310 8.914 -0.604 1
1 198 . 19 1 1 A 27 27 ALA HA H 27 5.590 5.929 -0.339 1
1 202 . 19 1 1 A 27 27 ALA N N 27 119.550 125.859 -6.309 1
1 203 . 19 1 1 A 28 28 LYS H H 28 9.100 8.248 0.852 1
1 204 . 19 1 1 A 28 28 LYS HA H 28 4.460 4.934 -0.474 1
1 211 . 19 1 1 A 28 28 LYS N N 28 118.020 116.862 1.158 1
1 212 . 19 1 1 A 29 29 CYS H H 29 8.810 8.603 0.207 1
1 213 . 19 1 1 A 29 29 CYS HA H 29 5.010 5.607 -0.597 1
1 216 . 19 1 1 A 29 29 CYS N N 29 122.020 117.685 4.335 1
1 217 . 19 1 1 A 30 30 MET H H 30 8.960 8.272 0.688 1
1 218 . 19 1 1 A 30 30 MET HA H 30 4.810 4.722 0.088 1
1 223 . 19 1 1 A 30 30 MET N N 30 128.630 125.712 2.918 1
1 224 . 19 1 1 A 31 31 ASN H H 31 9.470 9.017 0.453 1
1 225 . 19 1 1 A 31 31 ASN HA H 31 4.380 4.353 0.027 1
1 230 . 19 1 1 A 31 31 ASN N N 31 125.820 124.318 1.502 1
1 232 . 19 1 1 A 32 32 GLY H H 32 8.030 7.375 0.655 1
1 233 . 19 1 1 A 32 32 GLY HA2 H 32 4.150 3.975 0.175 1
1 234 . 19 1 1 A 32 32 GLY HA3 H 32 4.150 3.975 0.175 1
1 235 . 19 1 1 A 32 32 GLY N N 32 127.070 106.101 20.969 1
1 236 . 19 1 1 A 33 33 LYS H H 33 7.680 7.541 0.139 1
1 237 . 19 1 1 A 33 33 LYS HA H 33 5.220 5.199 0.021 1
1 246 . 19 1 1 A 33 33 LYS N N 33 120.610 117.907 2.703 1
1 247 . 19 1 1 A 34 34 CYS H H 34 8.520 8.029 0.491 1
1 248 . 19 1 1 A 34 34 CYS HA H 34 5.080 5.439 -0.359 1
1 251 . 19 1 1 A 34 34 CYS N N 34 121.200 119.167 2.033 1
1 252 . 19 1 1 A 35 35 LYS H H 35 9.120 8.468 0.652 1
1 253 . 19 1 1 A 35 35 LYS HA H 35 4.710 4.601 0.109 1
1 261 . 19 1 1 A 35 35 LYS N N 35 124.350 120.095 4.255 1
1 262 . 19 1 1 A 36 36 CYS H H 36 8.650 8.572 0.078 1
1 263 . 19 1 1 A 36 36 CYS HA H 36 5.380 5.284 0.096 1
1 266 . 19 1 1 A 36 36 CYS N N 36 121.910 120.710 1.200 1
1 267 . 19 1 1 A 37 37 TYR H H 37 8.290 8.521 -0.231 1
1 268 . 19 1 1 A 37 37 TYR HA H 37 4.590 5.006 -0.416 1
1 273 . 19 1 1 A 37 37 TYR N N 37 121.040 122.308 -1.268 1
1 274 . 19 1 1 A 38 38 PRO HA H 38 4.080 4.308 -0.228 1
1 8 . 20 1 1 A 2 2 ILE H H 2 8.140 8.361 -0.221 1
1 9 . 20 1 1 A 2 2 ILE HA H 2 4.410 3.973 0.437 1
1 18 . 20 1 1 A 2 2 ILE N N 2 127.040 119.538 7.502 1
1 19 . 20 1 1 A 3 3 ILE H H 3 8.350 7.429 0.921 1
1 20 . 20 1 1 A 3 3 ILE HA H 3 4.460 4.640 -0.180 1
1 29 . 20 1 1 A 3 3 ILE N N 3 124.180 121.194 2.986 1
1 30 . 20 1 1 A 4 4 ASN H H 4 8.760 8.598 0.162 1
1 31 . 20 1 1 A 4 4 ASN HA H 4 4.770 5.055 -0.285 1
1 36 . 20 1 1 A 4 4 ASN N N 4 124.680 124.382 0.298 1
1 38 . 20 1 1 A 5 5 VAL H H 5 8.010 8.068 -0.058 1
1 39 . 20 1 1 A 5 5 VAL HA H 5 4.140 4.586 -0.446 1
1 44 . 20 1 1 A 5 5 VAL N N 5 122.870 123.712 -0.842 1
1 45 . 20 1 1 A 6 6 LYS H H 6 8.420 8.372 0.048 1
1 46 . 20 1 1 A 6 6 LYS HA H 6 4.800 4.800 0.000 1
1 55 . 20 1 1 A 6 6 LYS N N 6 127.220 123.375 3.845 1
1 56 . 20 1 1 A 7 7 CYS H H 7 8.050 8.806 -0.756 1
1 57 . 20 1 1 A 7 7 CYS HA H 7 5.010 5.030 -0.020 1
1 60 . 20 1 1 A 7 7 CYS N N 7 116.620 117.243 -0.623 1
1 61 . 20 1 1 A 8 8 THR H H 8 9.320 8.494 0.826 1
1 62 . 20 1 1 A 8 8 THR HA H 8 4.420 4.627 -0.207 1
1 65 . 20 1 1 A 8 8 THR N N 8 109.290 113.951 -4.661 1
1 66 . 20 1 1 A 9 9 SER H H 9 8.150 7.491 0.659 1
1 67 . 20 1 1 A 9 9 SER HA H 9 5.170 4.879 0.291 1
1 70 . 20 1 1 A 9 9 SER N N 9 119.010 113.251 5.759 1
1 71 . 20 1 1 A 10 10 PRO HA H 10 3.970 4.416 -0.446 1
1 78 . 20 1 1 A 11 11 LYS H H 11 8.000 8.077 -0.077 1
1 79 . 20 1 1 A 11 11 LYS HA H 11 4.020 4.067 -0.047 1
1 88 . 20 1 1 A 11 11 LYS N N 11 117.940 118.691 -0.751 1
1 89 . 20 1 1 A 12 12 GLN H H 12 7.160 7.816 -0.656 1
1 90 . 20 1 1 A 12 12 GLN HA H 12 4.200 4.173 0.027 1
1 97 . 20 1 1 A 12 12 GLN N N 12 115.030 118.169 -3.139 1
1 99 . 20 1 1 A 13 13 CYS H H 13 7.460 7.826 -0.366 1
1 100 . 20 1 1 A 13 13 CYS HA H 13 4.650 4.594 0.056 1
1 103 . 20 1 1 A 13 13 CYS N N 13 113.890 117.031 -3.141 1
1 104 . 20 1 1 A 14 14 LEU H H 14 7.400 7.488 -0.088 1
1 105 . 20 1 1 A 14 14 LEU HA H 14 4.060 3.963 0.097 1
1 115 . 20 1 1 A 14 14 LEU N N 14 121.670 121.651 0.019 1
1 116 . 20 1 1 A 15 15 PRO HA H 15 4.500 4.260 0.240 1
1 123 . 20 1 1 A 16 16 PRO HA H 16 4.530 4.165 0.365 1
1 130 . 20 1 1 A 17 17 CYS H H 17 7.740 7.936 -0.196 1
1 131 . 20 1 1 A 17 17 CYS HA H 17 4.840 4.633 0.207 1
1 134 . 20 1 1 A 17 17 CYS N N 17 116.640 114.441 2.199 1
1 135 . 20 1 1 A 18 18 LYS H H 18 8.820 8.098 0.722 1
1 136 . 20 1 1 A 18 18 LYS HA H 18 4.620 4.315 0.305 1
1 144 . 20 1 1 A 18 18 LYS N N 18 122.450 122.475 -0.025 1
1 145 . 20 1 1 A 19 19 ALA H H 19 8.020 7.572 0.448 1
1 146 . 20 1 1 A 19 19 ALA HA H 19 4.030 4.225 -0.195 1
1 150 . 20 1 1 A 19 19 ALA N N 19 122.720 121.804 0.916 1
1 151 . 20 1 1 A 20 20 GLN H H 20 7.310 8.180 -0.870 1
1 152 . 20 1 1 A 20 20 GLN HA H 20 4.080 4.454 -0.374 1
1 159 . 20 1 1 A 20 20 GLN N N 20 114.530 117.208 -2.678 1
1 161 . 20 1 1 A 21 21 PHE H H 21 8.310 7.965 0.345 1
1 162 . 20 1 1 A 21 21 PHE HA H 21 4.880 4.358 0.522 1
1 167 . 20 1 1 A 21 21 PHE N N 21 113.930 117.534 -3.604 1
1 168 . 20 1 1 A 22 22 GLY H H 22 7.950 7.597 0.353 1
1 169 . 20 1 1 A 22 22 GLY HA2 H 22 4.740 4.145 0.595 1
1 170 . 20 1 1 A 22 22 GLY HA3 H 22 3.930 4.159 -0.229 1
1 171 . 20 1 1 A 22 22 GLY N N 22 111.620 103.779 7.841 1
1 172 . 20 1 1 A 23 23 GLN H H 23 8.520 8.626 -0.106 1
1 173 . 20 1 1 A 23 23 GLN HA H 23 3.910 4.141 -0.231 1
1 180 . 20 1 1 A 23 23 GLN N N 23 116.170 120.154 -3.984 1
1 182 . 20 1 1 A 24 24 SER H H 24 8.350 7.809 0.541 1
1 183 . 20 1 1 A 24 24 SER HA H 24 4.510 4.471 0.039 1
1 186 . 20 1 1 A 24 24 SER N N 24 113.160 111.280 1.880 1
1 187 . 20 1 1 A 25 25 ALA H H 25 7.810 7.290 0.520 1
1 188 . 20 1 1 A 25 25 ALA HA H 25 4.230 4.111 0.119 1
1 192 . 20 1 1 A 25 25 ALA N N 25 124.730 125.757 -1.027 1
1 193 . 20 1 1 A 26 26 GLY H H 26 8.310 8.206 0.104 1
1 194 . 20 1 1 A 26 26 GLY HA2 H 26 4.570 4.261 0.309 1
1 195 . 20 1 1 A 26 26 GLY HA3 H 26 3.760 4.263 -0.503 1
1 196 . 20 1 1 A 26 26 GLY N N 26 107.850 110.182 -2.332 1
1 197 . 20 1 1 A 27 27 ALA H H 27 8.310 9.057 -0.747 1
1 198 . 20 1 1 A 27 27 ALA HA H 27 5.590 5.805 -0.215 1
1 202 . 20 1 1 A 27 27 ALA N N 27 119.550 125.446 -5.896 1
1 203 . 20 1 1 A 28 28 LYS H H 28 9.100 8.352 0.748 1
1 204 . 20 1 1 A 28 28 LYS HA H 28 4.460 4.897 -0.437 1
1 211 . 20 1 1 A 28 28 LYS N N 28 118.020 119.500 -1.480 1
1 212 . 20 1 1 A 29 29 CYS H H 29 8.810 8.656 0.154 1
1 213 . 20 1 1 A 29 29 CYS HA H 29 5.010 5.671 -0.661 1
1 216 . 20 1 1 A 29 29 CYS N N 29 122.020 117.779 4.241 1
1 217 . 20 1 1 A 30 30 MET H H 30 8.960 8.268 0.692 1
1 218 . 20 1 1 A 30 30 MET HA H 30 4.810 4.709 0.101 1
1 223 . 20 1 1 A 30 30 MET N N 30 128.630 125.796 2.834 1
1 224 . 20 1 1 A 31 31 ASN H H 31 9.470 9.411 0.059 1
1 225 . 20 1 1 A 31 31 ASN HA H 31 4.380 4.354 0.026 1
1 230 . 20 1 1 A 31 31 ASN N N 31 125.820 124.773 1.047 1
1 232 . 20 1 1 A 32 32 GLY H H 32 8.030 7.496 0.534 1
1 233 . 20 1 1 A 32 32 GLY HA2 H 32 4.150 4.011 0.139 1
1 234 . 20 1 1 A 32 32 GLY HA3 H 32 4.150 4.011 0.139 1
1 235 . 20 1 1 A 32 32 GLY N N 32 127.070 105.136 21.934 1
1 236 . 20 1 1 A 33 33 LYS H H 33 7.680 7.599 0.081 1
1 237 . 20 1 1 A 33 33 LYS HA H 33 5.220 5.078 0.142 1
1 246 . 20 1 1 A 33 33 LYS N N 33 120.610 118.429 2.181 1
1 247 . 20 1 1 A 34 34 CYS H H 34 8.520 7.884 0.636 1
1 248 . 20 1 1 A 34 34 CYS HA H 34 5.080 5.440 -0.360 1
1 251 . 20 1 1 A 34 34 CYS N N 34 121.200 119.358 1.842 1
1 252 . 20 1 1 A 35 35 LYS H H 35 9.120 8.425 0.695 1
1 253 . 20 1 1 A 35 35 LYS HA H 35 4.710 4.551 0.159 1
1 261 . 20 1 1 A 35 35 LYS N N 35 124.350 121.785 2.565 1
1 262 . 20 1 1 A 36 36 CYS H H 36 8.650 8.530 0.120 1
1 263 . 20 1 1 A 36 36 CYS HA H 36 5.380 5.261 0.119 1
1 266 . 20 1 1 A 36 36 CYS N N 36 121.910 124.873 -2.963 1
1 267 . 20 1 1 A 37 37 TYR H H 37 8.290 8.530 -0.240 1
1 268 . 20 1 1 A 37 37 TYR HA H 37 4.590 4.926 -0.336 1
1 273 . 20 1 1 A 37 37 TYR N N 37 121.040 124.298 -3.258 1
1 274 . 20 1 1 A 38 38 PRO HA H 38 4.080 3.842 0.238 1
1 8 . 21 1 1 A 2 2 ILE H H 2 8.140 8.993 -0.853 1
1 9 . 21 1 1 A 2 2 ILE HA H 2 4.410 4.168 0.242 1
1 18 . 21 1 1 A 2 2 ILE N N 2 127.040 127.032 0.008 1
1 19 . 21 1 1 A 3 3 ILE H H 3 8.350 7.526 0.824 1
1 20 . 21 1 1 A 3 3 ILE HA H 3 4.460 4.659 -0.199 1
1 29 . 21 1 1 A 3 3 ILE N N 3 124.180 121.175 3.005 1
1 30 . 21 1 1 A 4 4 ASN H H 4 8.760 8.520 0.240 1
1 31 . 21 1 1 A 4 4 ASN HA H 4 4.770 5.071 -0.301 1
1 36 . 21 1 1 A 4 4 ASN N N 4 124.680 124.109 0.571 1
1 38 . 21 1 1 A 5 5 VAL H H 5 8.010 8.133 -0.123 1
1 39 . 21 1 1 A 5 5 VAL HA H 5 4.140 4.697 -0.557 1
1 44 . 21 1 1 A 5 5 VAL N N 5 122.870 121.938 0.932 1
1 45 . 21 1 1 A 6 6 LYS H H 6 8.420 8.371 0.049 1
1 46 . 21 1 1 A 6 6 LYS HA H 6 4.800 5.046 -0.246 1
1 55 . 21 1 1 A 6 6 LYS N N 6 127.220 123.604 3.616 1
1 56 . 21 1 1 A 7 7 CYS H H 7 8.050 8.766 -0.716 1
1 57 . 21 1 1 A 7 7 CYS HA H 7 5.010 5.113 -0.103 1
1 60 . 21 1 1 A 7 7 CYS N N 7 116.620 117.029 -0.409 1
1 61 . 21 1 1 A 8 8 THR H H 8 9.320 8.688 0.632 1
1 62 . 21 1 1 A 8 8 THR HA H 8 4.420 4.412 0.008 1
1 65 . 21 1 1 A 8 8 THR N N 8 109.290 116.743 -7.453 1
1 66 . 21 1 1 A 9 9 SER H H 9 8.150 7.542 0.608 1
1 67 . 21 1 1 A 9 9 SER HA H 9 5.170 4.909 0.261 1
1 70 . 21 1 1 A 9 9 SER N N 9 119.010 112.288 6.722 1
1 71 . 21 1 1 A 10 10 PRO HA H 10 3.970 4.420 -0.450 1
1 78 . 21 1 1 A 11 11 LYS H H 11 8.000 8.274 -0.274 1
1 79 . 21 1 1 A 11 11 LYS HA H 11 4.020 4.083 -0.063 1
1 88 . 21 1 1 A 11 11 LYS N N 11 117.940 118.212 -0.272 1
1 89 . 21 1 1 A 12 12 GLN H H 12 7.160 7.785 -0.625 1
1 90 . 21 1 1 A 12 12 GLN HA H 12 4.200 4.182 0.018 1
1 97 . 21 1 1 A 12 12 GLN N N 12 115.030 117.517 -2.487 1
1 99 . 21 1 1 A 13 13 CYS H H 13 7.460 7.811 -0.351 1
1 100 . 21 1 1 A 13 13 CYS HA H 13 4.650 4.596 0.054 1
1 103 . 21 1 1 A 13 13 CYS N N 13 113.890 117.025 -3.135 1
1 104 . 21 1 1 A 14 14 LEU H H 14 7.400 7.553 -0.153 1
1 105 . 21 1 1 A 14 14 LEU HA H 14 4.060 4.057 0.003 1
1 115 . 21 1 1 A 14 14 LEU N N 14 121.670 122.160 -0.490 1
1 116 . 21 1 1 A 15 15 PRO HA H 15 4.500 4.263 0.237 1
1 123 . 21 1 1 A 16 16 PRO HA H 16 4.530 4.219 0.311 1
1 130 . 21 1 1 A 17 17 CYS H H 17 7.740 8.215 -0.475 1
1 131 . 21 1 1 A 17 17 CYS HA H 17 4.840 4.596 0.244 1
1 134 . 21 1 1 A 17 17 CYS N N 17 116.640 115.390 1.250 1
1 135 . 21 1 1 A 18 18 LYS H H 18 8.820 8.148 0.672 1
1 136 . 21 1 1 A 18 18 LYS HA H 18 4.620 4.588 0.032 1
1 144 . 21 1 1 A 18 18 LYS N N 18 122.450 121.340 1.110 1
1 145 . 21 1 1 A 19 19 ALA H H 19 8.020 7.629 0.391 1
1 146 . 21 1 1 A 19 19 ALA HA H 19 4.030 4.406 -0.376 1
1 150 . 21 1 1 A 19 19 ALA N N 19 122.720 121.129 1.591 1
1 151 . 21 1 1 A 20 20 GLN H H 20 7.310 8.294 -0.984 1
1 152 . 21 1 1 A 20 20 GLN HA H 20 4.080 4.370 -0.290 1
1 159 . 21 1 1 A 20 20 GLN N N 20 114.530 117.734 -3.204 1
1 161 . 21 1 1 A 21 21 PHE H H 21 8.310 8.112 0.198 1
1 162 . 21 1 1 A 21 21 PHE HA H 21 4.880 4.417 0.463 1
1 167 . 21 1 1 A 21 21 PHE N N 21 113.930 117.584 -3.654 1
1 168 . 21 1 1 A 22 22 GLY H H 22 7.950 7.607 0.343 1
1 169 . 21 1 1 A 22 22 GLY HA2 H 22 4.740 4.163 0.577 1
1 170 . 21 1 1 A 22 22 GLY HA3 H 22 3.930 4.180 -0.250 1
1 171 . 21 1 1 A 22 22 GLY N N 22 111.620 103.746 7.874 1
1 172 . 21 1 1 A 23 23 GLN H H 23 8.520 8.714 -0.194 1
1 173 . 21 1 1 A 23 23 GLN HA H 23 3.910 4.420 -0.510 1
1 180 . 21 1 1 A 23 23 GLN N N 23 116.170 121.283 -5.113 1
1 182 . 21 1 1 A 24 24 SER H H 24 8.350 7.869 0.481 1
1 183 . 21 1 1 A 24 24 SER HA H 24 4.510 4.587 -0.077 1
1 186 . 21 1 1 A 24 24 SER N N 24 113.160 111.357 1.803 1
1 187 . 21 1 1 A 25 25 ALA H H 25 7.810 7.435 0.375 1
1 188 . 21 1 1 A 25 25 ALA HA H 25 4.230 4.046 0.184 1
1 192 . 21 1 1 A 25 25 ALA N N 25 124.730 125.951 -1.221 1
1 193 . 21 1 1 A 26 26 GLY H H 26 8.310 8.268 0.042 1
1 194 . 21 1 1 A 26 26 GLY HA2 H 26 4.570 4.155 0.415 1
1 195 . 21 1 1 A 26 26 GLY HA3 H 26 3.760 4.158 -0.398 1
1 196 . 21 1 1 A 26 26 GLY N N 26 107.850 111.845 -3.995 1
1 197 . 21 1 1 A 27 27 ALA H H 27 8.310 8.890 -0.580 1
1 198 . 21 1 1 A 27 27 ALA HA H 27 5.590 5.841 -0.251 1
1 202 . 21 1 1 A 27 27 ALA N N 27 119.550 125.930 -6.380 1
1 203 . 21 1 1 A 28 28 LYS H H 28 9.100 8.126 0.974 1
1 204 . 21 1 1 A 28 28 LYS HA H 28 4.460 4.998 -0.538 1
1 211 . 21 1 1 A 28 28 LYS N N 28 118.020 116.371 1.649 1
1 212 . 21 1 1 A 29 29 CYS H H 29 8.810 8.580 0.230 1
1 213 . 21 1 1 A 29 29 CYS HA H 29 5.010 5.763 -0.753 1
1 216 . 21 1 1 A 29 29 CYS N N 29 122.020 117.426 4.594 1
1 217 . 21 1 1 A 30 30 MET H H 30 8.960 8.400 0.560 1
1 218 . 21 1 1 A 30 30 MET HA H 30 4.810 4.811 -0.001 1
1 223 . 21 1 1 A 30 30 MET N N 30 128.630 126.009 2.621 1
1 224 . 21 1 1 A 31 31 ASN H H 31 9.470 8.449 1.021 1
1 225 . 21 1 1 A 31 31 ASN HA H 31 4.380 4.523 -0.143 1
1 230 . 21 1 1 A 31 31 ASN N N 31 125.820 119.253 6.567 1
1 232 . 21 1 1 A 32 32 GLY H H 32 8.030 7.485 0.545 1
1 233 . 21 1 1 A 32 32 GLY HA2 H 32 4.150 4.118 0.032 1
1 234 . 21 1 1 A 32 32 GLY HA3 H 32 4.150 4.119 0.031 1
1 235 . 21 1 1 A 32 32 GLY N N 32 127.070 104.319 22.751 1
1 236 . 21 1 1 A 33 33 LYS H H 33 7.680 7.825 -0.145 1
1 237 . 21 1 1 A 33 33 LYS HA H 33 5.220 5.153 0.067 1
1 246 . 21 1 1 A 33 33 LYS N N 33 120.610 118.994 1.616 1
1 247 . 21 1 1 A 34 34 CYS H H 34 8.520 8.399 0.121 1
1 248 . 21 1 1 A 34 34 CYS HA H 34 5.080 5.529 -0.449 1
1 251 . 21 1 1 A 34 34 CYS N N 34 121.200 120.890 0.310 1
1 252 . 21 1 1 A 35 35 LYS H H 35 9.120 8.501 0.619 1
1 253 . 21 1 1 A 35 35 LYS HA H 35 4.710 4.769 -0.059 1
1 261 . 21 1 1 A 35 35 LYS N N 35 124.350 123.547 0.803 1
1 262 . 21 1 1 A 36 36 CYS H H 36 8.650 8.763 -0.113 1
1 263 . 21 1 1 A 36 36 CYS HA H 36 5.380 5.121 0.259 1
1 266 . 21 1 1 A 36 36 CYS N N 36 121.910 125.520 -3.610 1
1 267 . 21 1 1 A 37 37 TYR H H 37 8.290 8.487 -0.197 1
1 268 . 21 1 1 A 37 37 TYR HA H 37 4.590 4.938 -0.348 1
1 273 . 21 1 1 A 37 37 TYR N N 37 121.040 123.690 -2.650 1
1 274 . 21 1 1 A 38 38 PRO HA H 38 4.080 4.219 -0.139 1
1 8 . 22 1 1 A 2 2 ILE H H 2 8.140 8.677 -0.537 1
1 9 . 22 1 1 A 2 2 ILE HA H 2 4.410 4.672 -0.262 1
1 18 . 22 1 1 A 2 2 ILE N N 2 127.040 122.340 4.700 1
1 19 . 22 1 1 A 3 3 ILE H H 3 8.350 8.716 -0.366 1
1 20 . 22 1 1 A 3 3 ILE HA H 3 4.460 4.927 -0.467 1
1 29 . 22 1 1 A 3 3 ILE N N 3 124.180 121.922 2.258 1
1 30 . 22 1 1 A 4 4 ASN H H 4 8.760 8.568 0.192 1
1 31 . 22 1 1 A 4 4 ASN HA H 4 4.770 5.100 -0.330 1
1 36 . 22 1 1 A 4 4 ASN N N 4 124.680 118.116 6.564 1
1 38 . 22 1 1 A 5 5 VAL H H 5 8.010 7.465 0.545 1
1 39 . 22 1 1 A 5 5 VAL HA H 5 4.140 4.399 -0.259 1
1 44 . 22 1 1 A 5 5 VAL N N 5 122.870 120.360 2.510 1
1 45 . 22 1 1 A 6 6 LYS H H 6 8.420 8.398 0.022 1
1 46 . 22 1 1 A 6 6 LYS HA H 6 4.800 4.831 -0.031 1
1 55 . 22 1 1 A 6 6 LYS N N 6 127.220 122.578 4.642 1
1 56 . 22 1 1 A 7 7 CYS H H 7 8.050 8.811 -0.761 1
1 57 . 22 1 1 A 7 7 CYS HA H 7 5.010 5.028 -0.018 1
1 60 . 22 1 1 A 7 7 CYS N N 7 116.620 117.073 -0.453 1
1 61 . 22 1 1 A 8 8 THR H H 8 9.320 8.536 0.784 1
1 62 . 22 1 1 A 8 8 THR HA H 8 4.420 4.608 -0.188 1
1 65 . 22 1 1 A 8 8 THR N N 8 109.290 113.237 -3.947 1
1 66 . 22 1 1 A 9 9 SER H H 9 8.150 7.547 0.603 1
1 67 . 22 1 1 A 9 9 SER HA H 9 5.170 4.877 0.293 1
1 70 . 22 1 1 A 9 9 SER N N 9 119.010 112.997 6.013 1
1 71 . 22 1 1 A 10 10 PRO HA H 10 3.970 4.406 -0.436 1
1 78 . 22 1 1 A 11 11 LYS H H 11 8.000 8.311 -0.311 1
1 79 . 22 1 1 A 11 11 LYS HA H 11 4.020 4.057 -0.037 1
1 88 . 22 1 1 A 11 11 LYS N N 11 117.940 118.400 -0.460 1
1 89 . 22 1 1 A 12 12 GLN H H 12 7.160 7.908 -0.748 1
1 90 . 22 1 1 A 12 12 GLN HA H 12 4.200 4.203 -0.003 1
1 97 . 22 1 1 A 12 12 GLN N N 12 115.030 117.665 -2.635 1
1 99 . 22 1 1 A 13 13 CYS H H 13 7.460 7.705 -0.245 1
1 100 . 22 1 1 A 13 13 CYS HA H 13 4.650 4.596 0.054 1
1 103 . 22 1 1 A 13 13 CYS N N 13 113.890 117.024 -3.134 1
1 104 . 22 1 1 A 14 14 LEU H H 14 7.400 7.529 -0.129 1
1 105 . 22 1 1 A 14 14 LEU HA H 14 4.060 3.989 0.071 1
1 115 . 22 1 1 A 14 14 LEU N N 14 121.670 120.788 0.882 1
1 116 . 22 1 1 A 15 15 PRO HA H 15 4.500 4.260 0.240 1
1 123 . 22 1 1 A 16 16 PRO HA H 16 4.530 4.161 0.369 1
1 130 . 22 1 1 A 17 17 CYS H H 17 7.740 7.947 -0.207 1
1 131 . 22 1 1 A 17 17 CYS HA H 17 4.840 4.616 0.224 1
1 134 . 22 1 1 A 17 17 CYS N N 17 116.640 114.455 2.185 1
1 135 . 22 1 1 A 18 18 LYS H H 18 8.820 8.065 0.755 1
1 136 . 22 1 1 A 18 18 LYS HA H 18 4.620 4.328 0.292 1
1 144 . 22 1 1 A 18 18 LYS N N 18 122.450 122.573 -0.123 1
1 145 . 22 1 1 A 19 19 ALA H H 19 8.020 7.575 0.445 1
1 146 . 22 1 1 A 19 19 ALA HA H 19 4.030 4.348 -0.318 1
1 150 . 22 1 1 A 19 19 ALA N N 19 122.720 121.508 1.212 1
1 151 . 22 1 1 A 20 20 GLN H H 20 7.310 8.218 -0.908 1
1 152 . 22 1 1 A 20 20 GLN HA H 20 4.080 4.461 -0.381 1
1 159 . 22 1 1 A 20 20 GLN N N 20 114.530 117.399 -2.869 1
1 161 . 22 1 1 A 21 21 PHE H H 21 8.310 7.920 0.390 1
1 162 . 22 1 1 A 21 21 PHE HA H 21 4.880 4.366 0.514 1
1 167 . 22 1 1 A 21 21 PHE N N 21 113.930 117.184 -3.254 1
1 168 . 22 1 1 A 22 22 GLY H H 22 7.950 7.553 0.397 1
1 169 . 22 1 1 A 22 22 GLY HA2 H 22 4.740 4.146 0.594 1
1 170 . 22 1 1 A 22 22 GLY HA3 H 22 3.930 4.164 -0.234 1
1 171 . 22 1 1 A 22 22 GLY N N 22 111.620 103.795 7.825 1
1 172 . 22 1 1 A 23 23 GLN H H 23 8.520 8.634 -0.114 1
1 173 . 22 1 1 A 23 23 GLN HA H 23 3.910 4.285 -0.375 1
1 180 . 22 1 1 A 23 23 GLN N N 23 116.170 120.176 -4.006 1
1 182 . 22 1 1 A 24 24 SER H H 24 8.350 7.861 0.489 1
1 183 . 22 1 1 A 24 24 SER HA H 24 4.510 4.513 -0.003 1
1 186 . 22 1 1 A 24 24 SER N N 24 113.160 111.398 1.762 1
1 187 . 22 1 1 A 25 25 ALA H H 25 7.810 7.182 0.628 1
1 188 . 22 1 1 A 25 25 ALA HA H 25 4.230 4.126 0.104 1
1 192 . 22 1 1 A 25 25 ALA N N 25 124.730 125.757 -1.027 1
1 193 . 22 1 1 A 26 26 GLY H H 26 8.310 8.335 -0.025 1
1 194 . 22 1 1 A 26 26 GLY HA2 H 26 4.570 4.255 0.315 1
1 195 . 22 1 1 A 26 26 GLY HA3 H 26 3.760 4.283 -0.523 1
1 196 . 22 1 1 A 26 26 GLY N N 26 107.850 111.149 -3.299 1
1 197 . 22 1 1 A 27 27 ALA H H 27 8.310 8.984 -0.674 1
1 198 . 22 1 1 A 27 27 ALA HA H 27 5.590 5.810 -0.220 1
1 202 . 22 1 1 A 27 27 ALA N N 27 119.550 125.360 -5.810 1
1 203 . 22 1 1 A 28 28 LYS H H 28 9.100 8.411 0.689 1
1 204 . 22 1 1 A 28 28 LYS HA H 28 4.460 5.040 -0.580 1
1 211 . 22 1 1 A 28 28 LYS N N 28 118.020 116.992 1.028 1
1 212 . 22 1 1 A 29 29 CYS H H 29 8.810 8.616 0.194 1
1 213 . 22 1 1 A 29 29 CYS HA H 29 5.010 5.696 -0.686 1
1 216 . 22 1 1 A 29 29 CYS N N 29 122.020 117.773 4.247 1
1 217 . 22 1 1 A 30 30 MET H H 30 8.960 8.381 0.579 1
1 218 . 22 1 1 A 30 30 MET HA H 30 4.810 4.704 0.106 1
1 223 . 22 1 1 A 30 30 MET N N 30 128.630 125.923 2.707 1
1 224 . 22 1 1 A 31 31 ASN H H 31 9.470 8.103 1.367 1
1 225 . 22 1 1 A 31 31 ASN HA H 31 4.380 4.512 -0.132 1
1 230 . 22 1 1 A 31 31 ASN N N 31 125.820 123.755 2.065 1
1 232 . 22 1 1 A 32 32 GLY H H 32 8.030 7.434 0.596 1
1 233 . 22 1 1 A 32 32 GLY HA2 H 32 4.150 4.013 0.137 1
1 234 . 22 1 1 A 32 32 GLY HA3 H 32 4.150 4.014 0.136 1
1 235 . 22 1 1 A 32 32 GLY N N 32 127.070 107.674 19.396 1
1 236 . 22 1 1 A 33 33 LYS H H 33 7.680 7.549 0.131 1
1 237 . 22 1 1 A 33 33 LYS HA H 33 5.220 5.333 -0.113 1
1 246 . 22 1 1 A 33 33 LYS N N 33 120.610 118.225 2.385 1
1 247 . 22 1 1 A 34 34 CYS H H 34 8.520 7.974 0.546 1
1 248 . 22 1 1 A 34 34 CYS HA H 34 5.080 5.467 -0.387 1
1 251 . 22 1 1 A 34 34 CYS N N 34 121.200 119.187 2.013 1
1 252 . 22 1 1 A 35 35 LYS H H 35 9.120 8.493 0.627 1
1 253 . 22 1 1 A 35 35 LYS HA H 35 4.710 4.627 0.083 1
1 261 . 22 1 1 A 35 35 LYS N N 35 124.350 119.783 4.567 1
1 262 . 22 1 1 A 36 36 CYS H H 36 8.650 8.478 0.172 1
1 263 . 22 1 1 A 36 36 CYS HA H 36 5.380 5.285 0.095 1
1 266 . 22 1 1 A 36 36 CYS N N 36 121.910 121.922 -0.012 1
1 267 . 22 1 1 A 37 37 TYR H H 37 8.290 8.533 -0.243 1
1 268 . 22 1 1 A 37 37 TYR HA H 37 4.590 4.845 -0.255 1
1 273 . 22 1 1 A 37 37 TYR N N 37 121.040 123.968 -2.928 1
1 274 . 22 1 1 A 38 38 PRO HA H 38 4.080 3.738 0.342 1
1 8 . 23 1 1 A 2 2 ILE H H 2 8.140 8.644 -0.504 1
1 9 . 23 1 1 A 2 2 ILE HA H 2 4.410 4.591 -0.181 1
1 18 . 23 1 1 A 2 2 ILE N N 2 127.040 123.592 3.448 1
1 19 . 23 1 1 A 3 3 ILE H H 3 8.350 8.823 -0.473 1
1 20 . 23 1 1 A 3 3 ILE HA H 3 4.460 4.907 -0.447 1
1 29 . 23 1 1 A 3 3 ILE N N 3 124.180 122.065 2.115 1
1 30 . 23 1 1 A 4 4 ASN H H 4 8.760 8.529 0.231 1
1 31 . 23 1 1 A 4 4 ASN HA H 4 4.770 5.036 -0.266 1
1 36 . 23 1 1 A 4 4 ASN N N 4 124.680 119.042 5.638 1
1 38 . 23 1 1 A 5 5 VAL H H 5 8.010 7.245 0.765 1
1 39 . 23 1 1 A 5 5 VAL HA H 5 4.140 4.070 0.070 1
1 44 . 23 1 1 A 5 5 VAL N N 5 122.870 121.114 1.756 1
1 45 . 23 1 1 A 6 6 LYS H H 6 8.420 8.533 -0.113 1
1 46 . 23 1 1 A 6 6 LYS HA H 6 4.800 4.978 -0.178 1
1 55 . 23 1 1 A 6 6 LYS N N 6 127.220 124.755 2.465 1
1 56 . 23 1 1 A 7 7 CYS H H 7 8.050 8.783 -0.733 1
1 57 . 23 1 1 A 7 7 CYS HA H 7 5.010 5.016 -0.006 1
1 60 . 23 1 1 A 7 7 CYS N N 7 116.620 121.700 -5.080 1
1 61 . 23 1 1 A 8 8 THR H H 8 9.320 8.757 0.563 1
1 62 . 23 1 1 A 8 8 THR HA H 8 4.420 4.504 -0.084 1
1 65 . 23 1 1 A 8 8 THR N N 8 109.290 116.278 -6.988 1
1 66 . 23 1 1 A 9 9 SER H H 9 8.150 7.532 0.618 1
1 67 . 23 1 1 A 9 9 SER HA H 9 5.170 4.869 0.301 1
1 70 . 23 1 1 A 9 9 SER N N 9 119.010 111.945 7.065 1
1 71 . 23 1 1 A 10 10 PRO HA H 10 3.970 4.381 -0.411 1
1 78 . 23 1 1 A 11 11 LYS H H 11 8.000 8.073 -0.073 1
1 79 . 23 1 1 A 11 11 LYS HA H 11 4.020 4.051 -0.031 1
1 88 . 23 1 1 A 11 11 LYS N N 11 117.940 118.674 -0.734 1
1 89 . 23 1 1 A 12 12 GLN H H 12 7.160 7.795 -0.635 1
1 90 . 23 1 1 A 12 12 GLN HA H 12 4.200 4.196 0.004 1
1 97 . 23 1 1 A 12 12 GLN N N 12 115.030 118.166 -3.136 1
1 99 . 23 1 1 A 13 13 CYS H H 13 7.460 7.629 -0.169 1
1 100 . 23 1 1 A 13 13 CYS HA H 13 4.650 4.591 0.059 1
1 103 . 23 1 1 A 13 13 CYS N N 13 113.890 116.958 -3.068 1
1 104 . 23 1 1 A 14 14 LEU H H 14 7.400 7.627 -0.227 1
1 105 . 23 1 1 A 14 14 LEU HA H 14 4.060 4.053 0.007 1
1 115 . 23 1 1 A 14 14 LEU N N 14 121.670 122.228 -0.558 1
1 116 . 23 1 1 A 15 15 PRO HA H 15 4.500 4.260 0.240 1
1 123 . 23 1 1 A 16 16 PRO HA H 16 4.530 4.209 0.321 1
1 130 . 23 1 1 A 17 17 CYS H H 17 7.740 8.202 -0.462 1
1 131 . 23 1 1 A 17 17 CYS HA H 17 4.840 4.534 0.306 1
1 134 . 23 1 1 A 17 17 CYS N N 17 116.640 115.591 1.049 1
1 135 . 23 1 1 A 18 18 LYS H H 18 8.820 8.125 0.695 1
1 136 . 23 1 1 A 18 18 LYS HA H 18 4.620 4.336 0.284 1
1 144 . 23 1 1 A 18 18 LYS N N 18 122.450 121.681 0.769 1
1 145 . 23 1 1 A 19 19 ALA H H 19 8.020 7.514 0.506 1
1 146 . 23 1 1 A 19 19 ALA HA H 19 4.030 4.175 -0.145 1
1 150 . 23 1 1 A 19 19 ALA N N 19 122.720 121.814 0.906 1
1 151 . 23 1 1 A 20 20 GLN H H 20 7.310 8.195 -0.885 1
1 152 . 23 1 1 A 20 20 GLN HA H 20 4.080 4.491 -0.411 1
1 159 . 23 1 1 A 20 20 GLN N N 20 114.530 117.145 -2.615 1
1 161 . 23 1 1 A 21 21 PHE H H 21 8.310 8.076 0.234 1
1 162 . 23 1 1 A 21 21 PHE HA H 21 4.880 4.364 0.516 1
1 167 . 23 1 1 A 21 21 PHE N N 21 113.930 116.942 -3.012 1
1 168 . 23 1 1 A 22 22 GLY H H 22 7.950 7.557 0.393 1
1 169 . 23 1 1 A 22 22 GLY HA2 H 22 4.740 4.147 0.593 1
1 170 . 23 1 1 A 22 22 GLY HA3 H 22 3.930 4.162 -0.232 1
1 171 . 23 1 1 A 22 22 GLY N N 22 111.620 103.721 7.899 1
1 172 . 23 1 1 A 23 23 GLN H H 23 8.520 8.773 -0.253 1
1 173 . 23 1 1 A 23 23 GLN HA H 23 3.910 4.122 -0.212 1
1 180 . 23 1 1 A 23 23 GLN N N 23 116.170 120.324 -4.154 1
1 182 . 23 1 1 A 24 24 SER H H 24 8.350 7.805 0.545 1
1 183 . 23 1 1 A 24 24 SER HA H 24 4.510 4.507 0.003 1
1 186 . 23 1 1 A 24 24 SER N N 24 113.160 111.084 2.076 1
1 187 . 23 1 1 A 25 25 ALA H H 25 7.810 7.377 0.433 1
1 188 . 23 1 1 A 25 25 ALA HA H 25 4.230 4.036 0.194 1
1 192 . 23 1 1 A 25 25 ALA N N 25 124.730 125.744 -1.014 1
1 193 . 23 1 1 A 26 26 GLY H H 26 8.310 8.371 -0.061 1
1 194 . 23 1 1 A 26 26 GLY HA2 H 26 4.570 4.066 0.504 1
1 195 . 23 1 1 A 26 26 GLY HA3 H 26 3.760 4.112 -0.352 1
1 196 . 23 1 1 A 26 26 GLY N N 26 107.850 111.873 -4.023 1
1 197 . 23 1 1 A 27 27 ALA H H 27 8.310 9.002 -0.692 1
1 198 . 23 1 1 A 27 27 ALA HA H 27 5.590 5.813 -0.223 1
1 202 . 23 1 1 A 27 27 ALA N N 27 119.550 125.793 -6.243 1
1 203 . 23 1 1 A 28 28 LYS H H 28 9.100 8.279 0.821 1
1 204 . 23 1 1 A 28 28 LYS HA H 28 4.460 5.043 -0.583 1
1 211 . 23 1 1 A 28 28 LYS N N 28 118.020 116.820 1.200 1
1 212 . 23 1 1 A 29 29 CYS H H 29 8.810 8.566 0.244 1
1 213 . 23 1 1 A 29 29 CYS HA H 29 5.010 5.622 -0.612 1
1 216 . 23 1 1 A 29 29 CYS N N 29 122.020 117.906 4.114 1
1 217 . 23 1 1 A 30 30 MET H H 30 8.960 8.256 0.704 1
1 218 . 23 1 1 A 30 30 MET HA H 30 4.810 4.729 0.081 1
1 223 . 23 1 1 A 30 30 MET N N 30 128.630 125.144 3.486 1
1 224 . 23 1 1 A 31 31 ASN H H 31 9.470 9.360 0.110 1
1 225 . 23 1 1 A 31 31 ASN HA H 31 4.380 4.349 0.031 1
1 230 . 23 1 1 A 31 31 ASN N N 31 125.820 124.765 1.055 1
1 232 . 23 1 1 A 32 32 GLY H H 32 8.030 7.367 0.663 1
1 233 . 23 1 1 A 32 32 GLY HA2 H 32 4.150 3.981 0.169 1
1 234 . 23 1 1 A 32 32 GLY HA3 H 32 4.150 3.982 0.168 1
1 235 . 23 1 1 A 32 32 GLY N N 32 127.070 105.504 21.566 1
1 236 . 23 1 1 A 33 33 LYS H H 33 7.680 7.547 0.133 1
1 237 . 23 1 1 A 33 33 LYS HA H 33 5.220 5.324 -0.104 1
1 246 . 23 1 1 A 33 33 LYS N N 33 120.610 117.547 3.063 1
1 247 . 23 1 1 A 34 34 CYS H H 34 8.520 8.051 0.469 1
1 248 . 23 1 1 A 34 34 CYS HA H 34 5.080 5.455 -0.375 1
1 251 . 23 1 1 A 34 34 CYS N N 34 121.200 119.143 2.057 1
1 252 . 23 1 1 A 35 35 LYS H H 35 9.120 8.440 0.680 1
1 253 . 23 1 1 A 35 35 LYS HA H 35 4.710 4.588 0.122 1
1 261 . 23 1 1 A 35 35 LYS N N 35 124.350 119.568 4.782 1
1 262 . 23 1 1 A 36 36 CYS H H 36 8.650 8.534 0.116 1
1 263 . 23 1 1 A 36 36 CYS HA H 36 5.380 5.236 0.144 1
1 266 . 23 1 1 A 36 36 CYS N N 36 121.910 120.924 0.986 1
1 267 . 23 1 1 A 37 37 TYR H H 37 8.290 8.473 -0.183 1
1 268 . 23 1 1 A 37 37 TYR HA H 37 4.590 4.953 -0.363 1
1 273 . 23 1 1 A 37 37 TYR N N 37 121.040 123.675 -2.635 1
1 274 . 23 1 1 A 38 38 PRO HA H 38 4.080 4.120 -0.040 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 0 0.000 1
3 1 1 1 "RMS(OBS, PRED)" CB 0 0.000 1
4 1 1 1 "RMS(OBS, PRED)" H 33 0.491 1
5 1 1 1 "RMS(OBS, PRED)" HA 40 0.304 1
6 1 1 1 "RMS(OBS, PRED)" N 33 5.106 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1
9 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 2 1 "RMS(OBS, PRED)" H 33 0.584 1
11 1 2 1 "RMS(OBS, PRED)" HA 40 0.352 1
12 1 2 1 "RMS(OBS, PRED)" N 33 5.002 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1
15 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
16 1 3 1 "RMS(OBS, PRED)" H 33 0.500 1
17 1 3 1 "RMS(OBS, PRED)" HA 40 0.299 1
18 1 3 1 "RMS(OBS, PRED)" N 33 5.253 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1
21 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 4 1 "RMS(OBS, PRED)" H 33 0.544 1
23 1 4 1 "RMS(OBS, PRED)" HA 40 0.330 1
24 1 4 1 "RMS(OBS, PRED)" N 33 5.243 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1
27 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
28 1 5 1 "RMS(OBS, PRED)" H 33 0.533 1
29 1 5 1 "RMS(OBS, PRED)" HA 40 0.356 1
30 1 5 1 "RMS(OBS, PRED)" N 33 5.072 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1
33 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 6 1 "RMS(OBS, PRED)" H 33 0.489 1
35 1 6 1 "RMS(OBS, PRED)" HA 40 0.311 1
36 1 6 1 "RMS(OBS, PRED)" N 33 5.148 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1
39 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
40 1 7 1 "RMS(OBS, PRED)" H 33 0.523 1
41 1 7 1 "RMS(OBS, PRED)" HA 40 0.318 1
42 1 7 1 "RMS(OBS, PRED)" N 33 4.952 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1
45 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 8 1 "RMS(OBS, PRED)" H 33 0.573 1
47 1 8 1 "RMS(OBS, PRED)" HA 40 0.357 1
48 1 8 1 "RMS(OBS, PRED)" N 33 4.897 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 9 1 "RMS(OBS, PRED)" H 33 0.538 1
53 1 9 1 "RMS(OBS, PRED)" HA 40 0.344 1
54 1 9 1 "RMS(OBS, PRED)" N 33 5.189 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1
57 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1
58 1 10 1 "RMS(OBS, PRED)" H 33 0.516 1
59 1 10 1 "RMS(OBS, PRED)" HA 40 0.304 1
60 1 10 1 "RMS(OBS, PRED)" N 33 5.007 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1
63 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1
64 1 11 1 "RMS(OBS, PRED)" H 33 0.571 1
65 1 11 1 "RMS(OBS, PRED)" HA 40 0.357 1
66 1 11 1 "RMS(OBS, PRED)" N 33 5.172 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1
69 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1
70 1 12 1 "RMS(OBS, PRED)" H 33 0.549 1
71 1 12 1 "RMS(OBS, PRED)" HA 40 0.336 1
72 1 12 1 "RMS(OBS, PRED)" N 33 5.181 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1
75 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 1 13 1 "RMS(OBS, PRED)" H 33 0.529 1
77 1 13 1 "RMS(OBS, PRED)" HA 40 0.308 1
78 1 13 1 "RMS(OBS, PRED)" N 33 5.098 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1
81 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1
82 1 14 1 "RMS(OBS, PRED)" H 33 0.531 1
83 1 14 1 "RMS(OBS, PRED)" HA 40 0.322 1
84 1 14 1 "RMS(OBS, PRED)" N 33 5.196 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1
87 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1
88 1 15 1 "RMS(OBS, PRED)" H 33 0.555 1
89 1 15 1 "RMS(OBS, PRED)" HA 40 0.323 1
90 1 15 1 "RMS(OBS, PRED)" N 33 4.926 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1
93 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 16 1 "RMS(OBS, PRED)" H 33 0.595 1
95 1 16 1 "RMS(OBS, PRED)" HA 40 0.365 1
96 1 16 1 "RMS(OBS, PRED)" N 33 4.873 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1
99 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1
100 1 17 1 "RMS(OBS, PRED)" H 33 0.585 1
101 1 17 1 "RMS(OBS, PRED)" HA 40 0.362 1
102 1 17 1 "RMS(OBS, PRED)" N 33 5.028 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1
105 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 18 1 "RMS(OBS, PRED)" H 33 0.519 1
107 1 18 1 "RMS(OBS, PRED)" HA 40 0.341 1
108 1 18 1 "RMS(OBS, PRED)" N 33 5.108 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1
111 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1
112 1 19 1 "RMS(OBS, PRED)" H 33 0.516 1
113 1 19 1 "RMS(OBS, PRED)" HA 40 0.312 1
114 1 19 1 "RMS(OBS, PRED)" N 33 5.007 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1
117 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 20 1 "RMS(OBS, PRED)" H 33 0.513 1
119 1 20 1 "RMS(OBS, PRED)" HA 40 0.300 1
120 1 20 1 "RMS(OBS, PRED)" N 33 5.150 1
121 1 21 1 "RMS(OBS, PRED)" C 0 0.000 1
122 1 21 1 "RMS(OBS, PRED)" CA 0 0.000 1
123 1 21 1 "RMS(OBS, PRED)" CB 0 0.000 1
124 1 21 1 "RMS(OBS, PRED)" H 33 0.536 1
125 1 21 1 "RMS(OBS, PRED)" HA 40 0.314 1
126 1 21 1 "RMS(OBS, PRED)" N 33 5.402 1
127 1 22 1 "RMS(OBS, PRED)" C 0 0.000 1
128 1 22 1 "RMS(OBS, PRED)" CA 0 0.000 1
129 1 22 1 "RMS(OBS, PRED)" CB 0 0.000 1
130 1 22 1 "RMS(OBS, PRED)" H 33 0.558 1
131 1 22 1 "RMS(OBS, PRED)" HA 40 0.311 1
132 1 22 1 "RMS(OBS, PRED)" N 33 4.890 1
133 1 23 1 "RMS(OBS, PRED)" C 0 0.000 1
134 1 23 1 "RMS(OBS, PRED)" CA 0 0.000 1
135 1 23 1 "RMS(OBS, PRED)" CB 0 0.000 1
136 1 23 1 "RMS(OBS, PRED)" H 33 0.508 1
137 1 23 1 "RMS(OBS, PRED)" HA 40 0.292 1
138 1 23 1 "RMS(OBS, PRED)" N 33 5.308 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 8 . 1 1 A 2 2 ILE H H 2 8.140 8.594 -0.454 2
1 9 . 1 1 A 2 2 ILE HA H 2 4.410 4.279 0.131 2
1 18 . 1 1 A 2 2 ILE N N 2 127.040 123.909 3.131 2
1 19 . 1 1 A 3 3 ILE H H 3 8.350 7.882 0.468 2
1 20 . 1 1 A 3 3 ILE HA H 3 4.460 4.694 -0.234 2
1 29 . 1 1 A 3 3 ILE N N 3 124.180 121.516 2.664 2
1 30 . 1 1 A 4 4 ASN H H 4 8.760 8.686 0.074 2
1 31 . 1 1 A 4 4 ASN HA H 4 4.770 5.029 -0.259 2
1 36 . 1 1 A 4 4 ASN N N 4 124.680 122.716 1.964 2
1 38 . 1 1 A 5 5 VAL H H 5 8.010 7.792 0.218 2
1 39 . 1 1 A 5 5 VAL HA H 5 4.140 4.532 -0.392 2
1 44 . 1 1 A 5 5 VAL N N 5 122.870 122.038 0.832 2
1 45 . 1 1 A 6 6 LYS H H 6 8.420 8.423 -0.003 2
1 46 . 1 1 A 6 6 LYS HA H 6 4.800 5.038 -0.238 2
1 55 . 1 1 A 6 6 LYS N N 6 127.220 123.197 4.023 2
1 56 . 1 1 A 7 7 CYS H H 7 8.050 8.780 -0.730 2
1 57 . 1 1 A 7 7 CYS HA H 7 5.010 5.020 -0.010 2
1 60 . 1 1 A 7 7 CYS N N 7 116.620 117.729 -1.109 2
1 61 . 1 1 A 8 8 THR H H 8 9.320 8.569 0.751 2
1 62 . 1 1 A 8 8 THR HA H 8 4.420 4.562 -0.142 2
1 65 . 1 1 A 8 8 THR N N 8 109.290 114.172 -4.882 2
1 66 . 1 1 A 9 9 SER H H 9 8.150 7.527 0.623 2
1 67 . 1 1 A 9 9 SER HA H 9 5.170 4.880 0.290 2
1 70 . 1 1 A 9 9 SER N N 9 119.010 112.693 6.317 2
1 71 . 1 1 A 10 10 PRO HA H 10 3.970 4.424 -0.454 2
1 78 . 1 1 A 11 11 LYS H H 11 8.000 8.127 -0.127 2
1 79 . 1 1 A 11 11 LYS HA H 11 4.020 4.065 -0.045 2
1 88 . 1 1 A 11 11 LYS N N 11 117.940 118.608 -0.668 2
1 89 . 1 1 A 12 12 GLN H H 12 7.160 7.835 -0.675 2
1 90 . 1 1 A 12 12 GLN HA H 12 4.200 4.180 0.020 2
1 97 . 1 1 A 12 12 GLN N N 12 115.030 117.771 -2.741 2
1 99 . 1 1 A 13 13 CYS H H 13 7.460 7.730 -0.270 2
1 100 . 1 1 A 13 13 CYS HA H 13 4.650 4.573 0.077 2
1 103 . 1 1 A 13 13 CYS N N 13 113.890 116.996 -3.106 2
1 104 . 1 1 A 14 14 LEU H H 14 7.400 7.548 -0.148 2
1 105 . 1 1 A 14 14 LEU HA H 14 4.060 4.011 0.049 2
1 115 . 1 1 A 14 14 LEU N N 14 121.670 121.910 -0.240 2
1 116 . 1 1 A 15 15 PRO HA H 15 4.500 4.241 0.259 2
1 123 . 1 1 A 16 16 PRO HA H 16 4.530 4.162 0.368 2
1 130 . 1 1 A 17 17 CYS H H 17 7.740 8.050 -0.310 2
1 131 . 1 1 A 17 17 CYS HA H 17 4.840 4.427 0.413 2
1 134 . 1 1 A 17 17 CYS N N 17 116.640 114.971 1.669 2
1 135 . 1 1 A 18 18 LYS H H 18 8.820 8.054 0.766 2
1 136 . 1 1 A 18 18 LYS HA H 18 4.620 4.348 0.272 2
1 144 . 1 1 A 18 18 LYS N N 18 122.450 121.829 0.621 2
1 145 . 1 1 A 19 19 ALA H H 19 8.020 7.551 0.469 2
1 146 . 1 1 A 19 19 ALA HA H 19 4.030 4.324 -0.294 2
1 150 . 1 1 A 19 19 ALA N N 19 122.720 121.319 1.401 2
1 151 . 1 1 A 20 20 GLN H H 20 7.310 8.126 -0.816 2
1 152 . 1 1 A 20 20 GLN HA H 20 4.080 4.408 -0.328 2
1 159 . 1 1 A 20 20 GLN N N 20 114.530 117.466 -2.936 2
1 161 . 1 1 A 21 21 PHE H H 21 8.310 7.864 0.446 2
1 162 . 1 1 A 21 21 PHE HA H 21 4.880 4.386 0.494 2
1 167 . 1 1 A 21 21 PHE N N 21 113.930 117.256 -3.326 2
1 168 . 1 1 A 22 22 GLY H H 22 7.950 7.531 0.419 2
1 169 . 1 1 A 22 22 GLY HA2 H 22 4.740 4.146 0.594 2
1 170 . 1 1 A 22 22 GLY HA3 H 22 3.930 4.169 -0.239 2
1 171 . 1 1 A 22 22 GLY N N 22 111.620 103.839 7.781 2
1 172 . 1 1 A 23 23 GLN H H 23 8.520 8.678 -0.158 2
1 173 . 1 1 A 23 23 GLN HA H 23 3.910 4.273 -0.363 2
1 180 . 1 1 A 23 23 GLN N N 23 116.170 120.815 -4.645 2
1 182 . 1 1 A 24 24 SER H H 24 8.350 7.818 0.532 2
1 183 . 1 1 A 24 24 SER HA H 24 4.510 4.520 -0.010 2
1 186 . 1 1 A 24 24 SER N N 24 113.160 111.298 1.862 2
1 187 . 1 1 A 25 25 ALA H H 25 7.810 7.398 0.412 2
1 188 . 1 1 A 25 25 ALA HA H 25 4.230 4.250 -0.020 2
1 192 . 1 1 A 25 25 ALA N N 25 124.730 125.812 -1.082 2
1 193 . 1 1 A 26 26 GLY H H 26 8.310 8.417 -0.107 2
1 194 . 1 1 A 26 26 GLY HA2 H 26 4.570 4.172 0.398 2
1 195 . 1 1 A 26 26 GLY HA3 H 26 3.760 4.206 -0.446 2
1 196 . 1 1 A 26 26 GLY N N 26 107.850 111.574 -3.724 2
1 197 . 1 1 A 27 27 ALA H H 27 8.310 8.996 -0.686 2
1 198 . 1 1 A 27 27 ALA HA H 27 5.590 5.878 -0.288 2
1 202 . 1 1 A 27 27 ALA N N 27 119.550 125.827 -6.277 2
1 203 . 1 1 A 28 28 LYS H H 28 9.100 8.281 0.819 2
1 204 . 1 1 A 28 28 LYS HA H 28 4.460 4.982 -0.522 2
1 211 . 1 1 A 28 28 LYS N N 28 118.020 117.055 0.965 2
1 212 . 1 1 A 29 29 CYS H H 29 8.810 8.595 0.215 2
1 213 . 1 1 A 29 29 CYS HA H 29 5.010 5.663 -0.653 2
1 216 . 1 1 A 29 29 CYS N N 29 122.020 117.666 4.354 2
1 217 . 1 1 A 30 30 MET H H 30 8.960 8.330 0.630 2
1 218 . 1 1 A 30 30 MET HA H 30 4.810 4.745 0.065 2
1 223 . 1 1 A 30 30 MET N N 30 128.630 125.645 2.985 2
1 224 . 1 1 A 31 31 ASN H H 31 9.470 8.699 0.771 2
1 225 . 1 1 A 31 31 ASN HA H 31 4.380 4.478 -0.098 2
1 230 . 1 1 A 31 31 ASN N N 31 125.820 122.239 3.581 2
1 232 . 1 1 A 32 32 GLY H H 32 8.030 7.552 0.478 2
1 233 . 1 1 A 32 32 GLY HA2 H 32 4.150 4.021 0.129 2
1 234 . 1 1 A 32 32 GLY HA3 H 32 4.150 4.022 0.128 2
1 235 . 1 1 A 32 32 GLY N N 32 127.070 106.191 20.879 2
1 236 . 1 1 A 33 33 LYS H H 33 7.680 7.664 0.016 2
1 237 . 1 1 A 33 33 LYS HA H 33 5.220 5.191 0.029 2
1 246 . 1 1 A 33 33 LYS N N 33 120.610 118.368 2.242 2
1 247 . 1 1 A 34 34 CYS H H 34 8.520 8.088 0.432 2
1 248 . 1 1 A 34 34 CYS HA H 34 5.080 5.474 -0.394 2
1 251 . 1 1 A 34 34 CYS N N 34 121.200 119.843 1.357 2
1 252 . 1 1 A 35 35 LYS H H 35 9.120 8.470 0.650 2
1 253 . 1 1 A 35 35 LYS HA H 35 4.710 4.668 0.042 2
1 261 . 1 1 A 35 35 LYS N N 35 124.350 121.077 3.273 2
1 262 . 1 1 A 36 36 CYS H H 36 8.650 8.631 0.019 2
1 263 . 1 1 A 36 36 CYS HA H 36 5.380 5.260 0.120 2
1 266 . 1 1 A 36 36 CYS N N 36 121.910 122.813 -0.903 2
1 267 . 1 1 A 37 37 TYR H H 37 8.290 8.641 -0.351 2
1 268 . 1 1 A 37 37 TYR HA H 37 4.590 5.021 -0.431 2
1 273 . 1 1 A 37 37 TYR N N 37 121.040 123.917 -2.877 2
1 274 . 1 1 A 38 38 PRO HA H 38 4.080 4.169 -0.089 2
stop_
save_